data_8ZFV
# 
_entry.id   8ZFV 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   8ZFV         pdb_00008zfv 10.2210/pdb8zfv/pdb 
WWPDB D_1300047594 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-04-02 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
loop_
_database_PDB_caveat.id 
_database_PDB_caveat.text 
1 '9F2 A 502 HAS WRONG CHIRALITY AT ATOM C11' 
2 '9F2 A 503 HAS WRONG CHIRALITY AT ATOM C11' 
3 '9F2 D 502 HAS WRONG CHIRALITY AT ATOM C11' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8ZFV 
_pdbx_database_status.recvd_initial_deposition_date   2024-05-08 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              pravinmcu@gmail.com 
_pdbx_contact_author.name_first         Pravindra 
_pdbx_contact_author.name_last          Kumar 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-2128-7736 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Dhaka, P.'   1 0000-0003-3825-7656 
'Mahto, J.K.' 2 0000-0001-9941-8244 
'Tomar, S.'   3 0000-0002-1730-003X 
'Kumar, P.'   4 0000-0003-2128-7736 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            J.Struct.Biol. 
_citation.journal_id_ASTM           JSBIEM 
_citation.journal_id_CSD            0803 
_citation.journal_id_ISSN           1095-8657 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            217 
_citation.language                  ? 
_citation.page_first                108197 
_citation.page_last                 108197 
_citation.title                     
'Structural insights into the RNA binding inhibitors of the C-terminal domain of the SARS-CoV-2 nucleocapsid.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1016/j.jsb.2025.108197 
_citation.pdbx_database_id_PubMed   40113149 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Dhaka, P.'   1 ? 
primary 'Mahto, J.K.' 2 ? 
primary 'Singh, A.'   3 ? 
primary 'Kumar, P.'   4 ? 
primary 'Tomar, S.'   5 ? 
# 
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 Nucleoprotein           19569.055 4   ? ? 'C-terminal domain' ? 
2 non-polymer syn 'SULFATE ION'           96.063    1   ? ? ?                   ? 
3 non-polymer nat Ceftriaxone             554.580   3   ? ? ?                   ? 
4 non-polymer syn 'DI(HYDROXYETHYL)ETHER' 106.120   1   ? ? ?                   ? 
5 water       nat water                   18.015    669 ? ? ?                   ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'N,Nucleocapsid protein,NC,Protein N' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MGTKKSAAEASKKPRQKRTATKAYNVTQAFGRRGPEQTQGNFGDQELIRQGTDYKHWPQIAQFAPSASAFFGMSRIGMEV
TPSGTWLTYTGAIKLDDKDPNFKDQVILLNKHIDAYKTFPPTEPKKDKKKKADETQALPQRQKKQQTVTLLPAADLDDFS
KQLQQSMSSADSTQA
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MGTKKSAAEASKKPRQKRTATKAYNVTQAFGRRGPEQTQGNFGDQELIRQGTDYKHWPQIAQFAPSASAFFGMSRIGMEV
TPSGTWLTYTGAIKLDDKDPNFKDQVILLNKHIDAYKTFPPTEPKKDKKKKADETQALPQRQKKQQTVTLLPAADLDDFS
KQLQQSMSSADSTQA
;
_entity_poly.pdbx_strand_id                 A,C,B,D 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'SULFATE ION'           SO4 
3 Ceftriaxone             9F2 
4 'DI(HYDROXYETHYL)ETHER' PEG 
5 water                   HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   GLY n 
1 3   THR n 
1 4   LYS n 
1 5   LYS n 
1 6   SER n 
1 7   ALA n 
1 8   ALA n 
1 9   GLU n 
1 10  ALA n 
1 11  SER n 
1 12  LYS n 
1 13  LYS n 
1 14  PRO n 
1 15  ARG n 
1 16  GLN n 
1 17  LYS n 
1 18  ARG n 
1 19  THR n 
1 20  ALA n 
1 21  THR n 
1 22  LYS n 
1 23  ALA n 
1 24  TYR n 
1 25  ASN n 
1 26  VAL n 
1 27  THR n 
1 28  GLN n 
1 29  ALA n 
1 30  PHE n 
1 31  GLY n 
1 32  ARG n 
1 33  ARG n 
1 34  GLY n 
1 35  PRO n 
1 36  GLU n 
1 37  GLN n 
1 38  THR n 
1 39  GLN n 
1 40  GLY n 
1 41  ASN n 
1 42  PHE n 
1 43  GLY n 
1 44  ASP n 
1 45  GLN n 
1 46  GLU n 
1 47  LEU n 
1 48  ILE n 
1 49  ARG n 
1 50  GLN n 
1 51  GLY n 
1 52  THR n 
1 53  ASP n 
1 54  TYR n 
1 55  LYS n 
1 56  HIS n 
1 57  TRP n 
1 58  PRO n 
1 59  GLN n 
1 60  ILE n 
1 61  ALA n 
1 62  GLN n 
1 63  PHE n 
1 64  ALA n 
1 65  PRO n 
1 66  SER n 
1 67  ALA n 
1 68  SER n 
1 69  ALA n 
1 70  PHE n 
1 71  PHE n 
1 72  GLY n 
1 73  MET n 
1 74  SER n 
1 75  ARG n 
1 76  ILE n 
1 77  GLY n 
1 78  MET n 
1 79  GLU n 
1 80  VAL n 
1 81  THR n 
1 82  PRO n 
1 83  SER n 
1 84  GLY n 
1 85  THR n 
1 86  TRP n 
1 87  LEU n 
1 88  THR n 
1 89  TYR n 
1 90  THR n 
1 91  GLY n 
1 92  ALA n 
1 93  ILE n 
1 94  LYS n 
1 95  LEU n 
1 96  ASP n 
1 97  ASP n 
1 98  LYS n 
1 99  ASP n 
1 100 PRO n 
1 101 ASN n 
1 102 PHE n 
1 103 LYS n 
1 104 ASP n 
1 105 GLN n 
1 106 VAL n 
1 107 ILE n 
1 108 LEU n 
1 109 LEU n 
1 110 ASN n 
1 111 LYS n 
1 112 HIS n 
1 113 ILE n 
1 114 ASP n 
1 115 ALA n 
1 116 TYR n 
1 117 LYS n 
1 118 THR n 
1 119 PHE n 
1 120 PRO n 
1 121 PRO n 
1 122 THR n 
1 123 GLU n 
1 124 PRO n 
1 125 LYS n 
1 126 LYS n 
1 127 ASP n 
1 128 LYS n 
1 129 LYS n 
1 130 LYS n 
1 131 LYS n 
1 132 ALA n 
1 133 ASP n 
1 134 GLU n 
1 135 THR n 
1 136 GLN n 
1 137 ALA n 
1 138 LEU n 
1 139 PRO n 
1 140 GLN n 
1 141 ARG n 
1 142 GLN n 
1 143 LYS n 
1 144 LYS n 
1 145 GLN n 
1 146 GLN n 
1 147 THR n 
1 148 VAL n 
1 149 THR n 
1 150 LEU n 
1 151 LEU n 
1 152 PRO n 
1 153 ALA n 
1 154 ALA n 
1 155 ASP n 
1 156 LEU n 
1 157 ASP n 
1 158 ASP n 
1 159 PHE n 
1 160 SER n 
1 161 LYS n 
1 162 GLN n 
1 163 LEU n 
1 164 GLN n 
1 165 GLN n 
1 166 SER n 
1 167 MET n 
1 168 SER n 
1 169 SER n 
1 170 ALA n 
1 171 ASP n 
1 172 SER n 
1 173 THR n 
1 174 GLN n 
1 175 ALA n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   175 
_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      'Severe acute respiratory syndrome coronavirus 2' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     2697049 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
9F2 non-polymer         . Ceftriaxone             ? 'C18 H18 N8 O7 S3' 554.580 
ALA 'L-peptide linking' y ALANINE                 ? 'C3 H7 N O2'       89.093  
ARG 'L-peptide linking' y ARGININE                ? 'C6 H15 N4 O2 1'   175.209 
ASN 'L-peptide linking' y ASPARAGINE              ? 'C4 H8 N2 O3'      132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'         ? 'C4 H7 N O4'       133.103 
GLN 'L-peptide linking' y GLUTAMINE               ? 'C5 H10 N2 O3'     146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'         ? 'C5 H9 N O4'       147.129 
GLY 'peptide linking'   y GLYCINE                 ? 'C2 H5 N O2'       75.067  
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 
PEG non-polymer         . 'DI(HYDROXYETHYL)ETHER' ? 'C4 H10 O3'        106.120 
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   MET 1   245 ?   ?   ?   A . n 
A 1 2   GLY 2   246 ?   ?   ?   A . n 
A 1 3   THR 3   247 ?   ?   ?   A . n 
A 1 4   LYS 4   248 ?   ?   ?   A . n 
A 1 5   LYS 5   249 ?   ?   ?   A . n 
A 1 6   SER 6   250 ?   ?   ?   A . n 
A 1 7   ALA 7   251 251 ALA ALA A . n 
A 1 8   ALA 8   252 252 ALA ALA A . n 
A 1 9   GLU 9   253 253 GLU GLU A . n 
A 1 10  ALA 10  254 254 ALA ALA A . n 
A 1 11  SER 11  255 255 SER SER A . n 
A 1 12  LYS 12  256 256 LYS LYS A . n 
A 1 13  LYS 13  257 257 LYS LYS A . n 
A 1 14  PRO 14  258 258 PRO PRO A . n 
A 1 15  ARG 15  259 259 ARG ARG A . n 
A 1 16  GLN 16  260 260 GLN GLN A . n 
A 1 17  LYS 17  261 261 LYS LYS A . n 
A 1 18  ARG 18  262 262 ARG ARG A . n 
A 1 19  THR 19  263 263 THR THR A . n 
A 1 20  ALA 20  264 264 ALA ALA A . n 
A 1 21  THR 21  265 265 THR THR A . n 
A 1 22  LYS 22  266 266 LYS LYS A . n 
A 1 23  ALA 23  267 267 ALA ALA A . n 
A 1 24  TYR 24  268 268 TYR TYR A . n 
A 1 25  ASN 25  269 269 ASN ASN A . n 
A 1 26  VAL 26  270 270 VAL VAL A . n 
A 1 27  THR 27  271 271 THR THR A . n 
A 1 28  GLN 28  272 272 GLN GLN A . n 
A 1 29  ALA 29  273 273 ALA ALA A . n 
A 1 30  PHE 30  274 274 PHE PHE A . n 
A 1 31  GLY 31  275 275 GLY GLY A . n 
A 1 32  ARG 32  276 276 ARG ARG A . n 
A 1 33  ARG 33  277 277 ARG ARG A . n 
A 1 34  GLY 34  278 278 GLY GLY A . n 
A 1 35  PRO 35  279 279 PRO PRO A . n 
A 1 36  GLU 36  280 280 GLU GLU A . n 
A 1 37  GLN 37  281 281 GLN GLN A . n 
A 1 38  THR 38  282 282 THR THR A . n 
A 1 39  GLN 39  283 283 GLN GLN A . n 
A 1 40  GLY 40  284 284 GLY GLY A . n 
A 1 41  ASN 41  285 285 ASN ASN A . n 
A 1 42  PHE 42  286 286 PHE PHE A . n 
A 1 43  GLY 43  287 287 GLY GLY A . n 
A 1 44  ASP 44  288 288 ASP ASP A . n 
A 1 45  GLN 45  289 289 GLN GLN A . n 
A 1 46  GLU 46  290 290 GLU GLU A . n 
A 1 47  LEU 47  291 291 LEU LEU A . n 
A 1 48  ILE 48  292 292 ILE ILE A . n 
A 1 49  ARG 49  293 293 ARG ARG A . n 
A 1 50  GLN 50  294 294 GLN GLN A . n 
A 1 51  GLY 51  295 295 GLY GLY A . n 
A 1 52  THR 52  296 296 THR THR A . n 
A 1 53  ASP 53  297 297 ASP ASP A . n 
A 1 54  TYR 54  298 298 TYR TYR A . n 
A 1 55  LYS 55  299 299 LYS LYS A . n 
A 1 56  HIS 56  300 300 HIS HIS A . n 
A 1 57  TRP 57  301 301 TRP TRP A . n 
A 1 58  PRO 58  302 302 PRO PRO A . n 
A 1 59  GLN 59  303 303 GLN GLN A . n 
A 1 60  ILE 60  304 304 ILE ILE A . n 
A 1 61  ALA 61  305 305 ALA ALA A . n 
A 1 62  GLN 62  306 306 GLN GLN A . n 
A 1 63  PHE 63  307 307 PHE PHE A . n 
A 1 64  ALA 64  308 308 ALA ALA A . n 
A 1 65  PRO 65  309 309 PRO PRO A . n 
A 1 66  SER 66  310 310 SER SER A . n 
A 1 67  ALA 67  311 311 ALA ALA A . n 
A 1 68  SER 68  312 312 SER SER A . n 
A 1 69  ALA 69  313 313 ALA ALA A . n 
A 1 70  PHE 70  314 314 PHE PHE A . n 
A 1 71  PHE 71  315 315 PHE PHE A . n 
A 1 72  GLY 72  316 316 GLY GLY A . n 
A 1 73  MET 73  317 317 MET MET A . n 
A 1 74  SER 74  318 318 SER SER A . n 
A 1 75  ARG 75  319 319 ARG ARG A . n 
A 1 76  ILE 76  320 320 ILE ILE A . n 
A 1 77  GLY 77  321 321 GLY GLY A . n 
A 1 78  MET 78  322 322 MET MET A . n 
A 1 79  GLU 79  323 323 GLU GLU A . n 
A 1 80  VAL 80  324 324 VAL VAL A . n 
A 1 81  THR 81  325 325 THR THR A . n 
A 1 82  PRO 82  326 326 PRO PRO A . n 
A 1 83  SER 83  327 327 SER SER A . n 
A 1 84  GLY 84  328 328 GLY GLY A . n 
A 1 85  THR 85  329 329 THR THR A . n 
A 1 86  TRP 86  330 330 TRP TRP A . n 
A 1 87  LEU 87  331 331 LEU LEU A . n 
A 1 88  THR 88  332 332 THR THR A . n 
A 1 89  TYR 89  333 333 TYR TYR A . n 
A 1 90  THR 90  334 334 THR THR A . n 
A 1 91  GLY 91  335 335 GLY GLY A . n 
A 1 92  ALA 92  336 336 ALA ALA A . n 
A 1 93  ILE 93  337 337 ILE ILE A . n 
A 1 94  LYS 94  338 338 LYS LYS A . n 
A 1 95  LEU 95  339 339 LEU LEU A . n 
A 1 96  ASP 96  340 340 ASP ASP A . n 
A 1 97  ASP 97  341 341 ASP ASP A . n 
A 1 98  LYS 98  342 342 LYS LYS A . n 
A 1 99  ASP 99  343 343 ASP ASP A . n 
A 1 100 PRO 100 344 344 PRO PRO A . n 
A 1 101 ASN 101 345 345 ASN ASN A . n 
A 1 102 PHE 102 346 346 PHE PHE A . n 
A 1 103 LYS 103 347 347 LYS LYS A . n 
A 1 104 ASP 104 348 348 ASP ASP A . n 
A 1 105 GLN 105 349 349 GLN GLN A . n 
A 1 106 VAL 106 350 350 VAL VAL A . n 
A 1 107 ILE 107 351 351 ILE ILE A . n 
A 1 108 LEU 108 352 352 LEU LEU A . n 
A 1 109 LEU 109 353 353 LEU LEU A . n 
A 1 110 ASN 110 354 354 ASN ASN A . n 
A 1 111 LYS 111 355 355 LYS LYS A . n 
A 1 112 HIS 112 356 356 HIS HIS A . n 
A 1 113 ILE 113 357 357 ILE ILE A . n 
A 1 114 ASP 114 358 358 ASP ASP A . n 
A 1 115 ALA 115 359 359 ALA ALA A . n 
A 1 116 TYR 116 360 360 TYR TYR A . n 
A 1 117 LYS 117 361 361 LYS LYS A . n 
A 1 118 THR 118 362 362 THR THR A . n 
A 1 119 PHE 119 363 363 PHE PHE A . n 
A 1 120 PRO 120 364 364 PRO PRO A . n 
A 1 121 PRO 121 365 ?   ?   ?   A . n 
A 1 122 THR 122 366 ?   ?   ?   A . n 
A 1 123 GLU 123 367 ?   ?   ?   A . n 
A 1 124 PRO 124 368 ?   ?   ?   A . n 
A 1 125 LYS 125 369 ?   ?   ?   A . n 
A 1 126 LYS 126 370 ?   ?   ?   A . n 
A 1 127 ASP 127 371 ?   ?   ?   A . n 
A 1 128 LYS 128 372 ?   ?   ?   A . n 
A 1 129 LYS 129 373 ?   ?   ?   A . n 
A 1 130 LYS 130 374 ?   ?   ?   A . n 
A 1 131 LYS 131 375 ?   ?   ?   A . n 
A 1 132 ALA 132 376 ?   ?   ?   A . n 
A 1 133 ASP 133 377 ?   ?   ?   A . n 
A 1 134 GLU 134 378 ?   ?   ?   A . n 
A 1 135 THR 135 379 ?   ?   ?   A . n 
A 1 136 GLN 136 380 ?   ?   ?   A . n 
A 1 137 ALA 137 381 ?   ?   ?   A . n 
A 1 138 LEU 138 382 ?   ?   ?   A . n 
A 1 139 PRO 139 383 ?   ?   ?   A . n 
A 1 140 GLN 140 384 ?   ?   ?   A . n 
A 1 141 ARG 141 385 ?   ?   ?   A . n 
A 1 142 GLN 142 386 ?   ?   ?   A . n 
A 1 143 LYS 143 387 ?   ?   ?   A . n 
A 1 144 LYS 144 388 ?   ?   ?   A . n 
A 1 145 GLN 145 389 ?   ?   ?   A . n 
A 1 146 GLN 146 390 ?   ?   ?   A . n 
A 1 147 THR 147 391 ?   ?   ?   A . n 
A 1 148 VAL 148 392 ?   ?   ?   A . n 
A 1 149 THR 149 393 ?   ?   ?   A . n 
A 1 150 LEU 150 394 ?   ?   ?   A . n 
A 1 151 LEU 151 395 ?   ?   ?   A . n 
A 1 152 PRO 152 396 ?   ?   ?   A . n 
A 1 153 ALA 153 397 ?   ?   ?   A . n 
A 1 154 ALA 154 398 ?   ?   ?   A . n 
A 1 155 ASP 155 399 ?   ?   ?   A . n 
A 1 156 LEU 156 400 ?   ?   ?   A . n 
A 1 157 ASP 157 401 ?   ?   ?   A . n 
A 1 158 ASP 158 402 ?   ?   ?   A . n 
A 1 159 PHE 159 403 ?   ?   ?   A . n 
A 1 160 SER 160 404 ?   ?   ?   A . n 
A 1 161 LYS 161 405 ?   ?   ?   A . n 
A 1 162 GLN 162 406 ?   ?   ?   A . n 
A 1 163 LEU 163 407 ?   ?   ?   A . n 
A 1 164 GLN 164 408 ?   ?   ?   A . n 
A 1 165 GLN 165 409 ?   ?   ?   A . n 
A 1 166 SER 166 410 ?   ?   ?   A . n 
A 1 167 MET 167 411 ?   ?   ?   A . n 
A 1 168 SER 168 412 ?   ?   ?   A . n 
A 1 169 SER 169 413 ?   ?   ?   A . n 
A 1 170 ALA 170 414 ?   ?   ?   A . n 
A 1 171 ASP 171 415 ?   ?   ?   A . n 
A 1 172 SER 172 416 ?   ?   ?   A . n 
A 1 173 THR 173 417 ?   ?   ?   A . n 
A 1 174 GLN 174 418 ?   ?   ?   A . n 
A 1 175 ALA 175 419 ?   ?   ?   A . n 
B 1 1   MET 1   245 ?   ?   ?   C . n 
B 1 2   GLY 2   246 ?   ?   ?   C . n 
B 1 3   THR 3   247 ?   ?   ?   C . n 
B 1 4   LYS 4   248 ?   ?   ?   C . n 
B 1 5   LYS 5   249 ?   ?   ?   C . n 
B 1 6   SER 6   250 ?   ?   ?   C . n 
B 1 7   ALA 7   251 ?   ?   ?   C . n 
B 1 8   ALA 8   252 ?   ?   ?   C . n 
B 1 9   GLU 9   253 ?   ?   ?   C . n 
B 1 10  ALA 10  254 ?   ?   ?   C . n 
B 1 11  SER 11  255 ?   ?   ?   C . n 
B 1 12  LYS 12  256 ?   ?   ?   C . n 
B 1 13  LYS 13  257 257 LYS LYS C . n 
B 1 14  PRO 14  258 258 PRO PRO C . n 
B 1 15  ARG 15  259 259 ARG ARG C . n 
B 1 16  GLN 16  260 260 GLN GLN C . n 
B 1 17  LYS 17  261 261 LYS LYS C . n 
B 1 18  ARG 18  262 262 ARG ARG C . n 
B 1 19  THR 19  263 263 THR THR C . n 
B 1 20  ALA 20  264 264 ALA ALA C . n 
B 1 21  THR 21  265 265 THR THR C . n 
B 1 22  LYS 22  266 266 LYS LYS C . n 
B 1 23  ALA 23  267 267 ALA ALA C . n 
B 1 24  TYR 24  268 268 TYR TYR C . n 
B 1 25  ASN 25  269 269 ASN ASN C . n 
B 1 26  VAL 26  270 270 VAL VAL C . n 
B 1 27  THR 27  271 271 THR THR C . n 
B 1 28  GLN 28  272 272 GLN GLN C . n 
B 1 29  ALA 29  273 273 ALA ALA C . n 
B 1 30  PHE 30  274 274 PHE PHE C . n 
B 1 31  GLY 31  275 275 GLY GLY C . n 
B 1 32  ARG 32  276 276 ARG ARG C . n 
B 1 33  ARG 33  277 277 ARG ARG C . n 
B 1 34  GLY 34  278 278 GLY GLY C . n 
B 1 35  PRO 35  279 279 PRO PRO C . n 
B 1 36  GLU 36  280 280 GLU GLU C . n 
B 1 37  GLN 37  281 281 GLN GLN C . n 
B 1 38  THR 38  282 282 THR THR C . n 
B 1 39  GLN 39  283 283 GLN GLN C . n 
B 1 40  GLY 40  284 284 GLY GLY C . n 
B 1 41  ASN 41  285 285 ASN ASN C . n 
B 1 42  PHE 42  286 286 PHE PHE C . n 
B 1 43  GLY 43  287 287 GLY GLY C . n 
B 1 44  ASP 44  288 288 ASP ASP C . n 
B 1 45  GLN 45  289 289 GLN GLN C . n 
B 1 46  GLU 46  290 290 GLU GLU C . n 
B 1 47  LEU 47  291 291 LEU LEU C . n 
B 1 48  ILE 48  292 292 ILE ILE C . n 
B 1 49  ARG 49  293 293 ARG ARG C . n 
B 1 50  GLN 50  294 294 GLN GLN C . n 
B 1 51  GLY 51  295 295 GLY GLY C . n 
B 1 52  THR 52  296 296 THR THR C . n 
B 1 53  ASP 53  297 297 ASP ASP C . n 
B 1 54  TYR 54  298 298 TYR TYR C . n 
B 1 55  LYS 55  299 299 LYS LYS C . n 
B 1 56  HIS 56  300 300 HIS HIS C . n 
B 1 57  TRP 57  301 301 TRP TRP C . n 
B 1 58  PRO 58  302 302 PRO PRO C . n 
B 1 59  GLN 59  303 303 GLN GLN C . n 
B 1 60  ILE 60  304 304 ILE ILE C . n 
B 1 61  ALA 61  305 305 ALA ALA C . n 
B 1 62  GLN 62  306 306 GLN GLN C . n 
B 1 63  PHE 63  307 307 PHE PHE C . n 
B 1 64  ALA 64  308 308 ALA ALA C . n 
B 1 65  PRO 65  309 309 PRO PRO C . n 
B 1 66  SER 66  310 310 SER SER C . n 
B 1 67  ALA 67  311 311 ALA ALA C . n 
B 1 68  SER 68  312 312 SER SER C . n 
B 1 69  ALA 69  313 313 ALA ALA C . n 
B 1 70  PHE 70  314 314 PHE PHE C . n 
B 1 71  PHE 71  315 315 PHE PHE C . n 
B 1 72  GLY 72  316 316 GLY GLY C . n 
B 1 73  MET 73  317 317 MET MET C . n 
B 1 74  SER 74  318 318 SER SER C . n 
B 1 75  ARG 75  319 319 ARG ARG C . n 
B 1 76  ILE 76  320 320 ILE ILE C . n 
B 1 77  GLY 77  321 321 GLY GLY C . n 
B 1 78  MET 78  322 322 MET MET C . n 
B 1 79  GLU 79  323 323 GLU GLU C . n 
B 1 80  VAL 80  324 324 VAL VAL C . n 
B 1 81  THR 81  325 325 THR THR C . n 
B 1 82  PRO 82  326 326 PRO PRO C . n 
B 1 83  SER 83  327 327 SER SER C . n 
B 1 84  GLY 84  328 328 GLY GLY C . n 
B 1 85  THR 85  329 329 THR THR C . n 
B 1 86  TRP 86  330 330 TRP TRP C . n 
B 1 87  LEU 87  331 331 LEU LEU C . n 
B 1 88  THR 88  332 332 THR THR C . n 
B 1 89  TYR 89  333 333 TYR TYR C . n 
B 1 90  THR 90  334 334 THR THR C . n 
B 1 91  GLY 91  335 335 GLY GLY C . n 
B 1 92  ALA 92  336 336 ALA ALA C . n 
B 1 93  ILE 93  337 337 ILE ILE C . n 
B 1 94  LYS 94  338 338 LYS LYS C . n 
B 1 95  LEU 95  339 339 LEU LEU C . n 
B 1 96  ASP 96  340 340 ASP ASP C . n 
B 1 97  ASP 97  341 341 ASP ASP C . n 
B 1 98  LYS 98  342 342 LYS LYS C . n 
B 1 99  ASP 99  343 343 ASP ASP C . n 
B 1 100 PRO 100 344 344 PRO PRO C . n 
B 1 101 ASN 101 345 345 ASN ASN C . n 
B 1 102 PHE 102 346 346 PHE PHE C . n 
B 1 103 LYS 103 347 347 LYS LYS C . n 
B 1 104 ASP 104 348 348 ASP ASP C . n 
B 1 105 GLN 105 349 349 GLN GLN C . n 
B 1 106 VAL 106 350 350 VAL VAL C . n 
B 1 107 ILE 107 351 351 ILE ILE C . n 
B 1 108 LEU 108 352 352 LEU LEU C . n 
B 1 109 LEU 109 353 353 LEU LEU C . n 
B 1 110 ASN 110 354 354 ASN ASN C . n 
B 1 111 LYS 111 355 355 LYS LYS C . n 
B 1 112 HIS 112 356 356 HIS HIS C . n 
B 1 113 ILE 113 357 357 ILE ILE C . n 
B 1 114 ASP 114 358 358 ASP ASP C . n 
B 1 115 ALA 115 359 359 ALA ALA C . n 
B 1 116 TYR 116 360 360 TYR TYR C . n 
B 1 117 LYS 117 361 361 LYS LYS C . n 
B 1 118 THR 118 362 362 THR THR C . n 
B 1 119 PHE 119 363 363 PHE PHE C . n 
B 1 120 PRO 120 364 364 PRO PRO C . n 
B 1 121 PRO 121 365 ?   ?   ?   C . n 
B 1 122 THR 122 366 ?   ?   ?   C . n 
B 1 123 GLU 123 367 ?   ?   ?   C . n 
B 1 124 PRO 124 368 ?   ?   ?   C . n 
B 1 125 LYS 125 369 ?   ?   ?   C . n 
B 1 126 LYS 126 370 ?   ?   ?   C . n 
B 1 127 ASP 127 371 ?   ?   ?   C . n 
B 1 128 LYS 128 372 ?   ?   ?   C . n 
B 1 129 LYS 129 373 ?   ?   ?   C . n 
B 1 130 LYS 130 374 ?   ?   ?   C . n 
B 1 131 LYS 131 375 ?   ?   ?   C . n 
B 1 132 ALA 132 376 ?   ?   ?   C . n 
B 1 133 ASP 133 377 ?   ?   ?   C . n 
B 1 134 GLU 134 378 ?   ?   ?   C . n 
B 1 135 THR 135 379 ?   ?   ?   C . n 
B 1 136 GLN 136 380 ?   ?   ?   C . n 
B 1 137 ALA 137 381 ?   ?   ?   C . n 
B 1 138 LEU 138 382 ?   ?   ?   C . n 
B 1 139 PRO 139 383 ?   ?   ?   C . n 
B 1 140 GLN 140 384 ?   ?   ?   C . n 
B 1 141 ARG 141 385 ?   ?   ?   C . n 
B 1 142 GLN 142 386 ?   ?   ?   C . n 
B 1 143 LYS 143 387 ?   ?   ?   C . n 
B 1 144 LYS 144 388 ?   ?   ?   C . n 
B 1 145 GLN 145 389 ?   ?   ?   C . n 
B 1 146 GLN 146 390 ?   ?   ?   C . n 
B 1 147 THR 147 391 ?   ?   ?   C . n 
B 1 148 VAL 148 392 ?   ?   ?   C . n 
B 1 149 THR 149 393 ?   ?   ?   C . n 
B 1 150 LEU 150 394 ?   ?   ?   C . n 
B 1 151 LEU 151 395 ?   ?   ?   C . n 
B 1 152 PRO 152 396 ?   ?   ?   C . n 
B 1 153 ALA 153 397 ?   ?   ?   C . n 
B 1 154 ALA 154 398 ?   ?   ?   C . n 
B 1 155 ASP 155 399 ?   ?   ?   C . n 
B 1 156 LEU 156 400 ?   ?   ?   C . n 
B 1 157 ASP 157 401 ?   ?   ?   C . n 
B 1 158 ASP 158 402 ?   ?   ?   C . n 
B 1 159 PHE 159 403 ?   ?   ?   C . n 
B 1 160 SER 160 404 ?   ?   ?   C . n 
B 1 161 LYS 161 405 ?   ?   ?   C . n 
B 1 162 GLN 162 406 ?   ?   ?   C . n 
B 1 163 LEU 163 407 ?   ?   ?   C . n 
B 1 164 GLN 164 408 ?   ?   ?   C . n 
B 1 165 GLN 165 409 ?   ?   ?   C . n 
B 1 166 SER 166 410 ?   ?   ?   C . n 
B 1 167 MET 167 411 ?   ?   ?   C . n 
B 1 168 SER 168 412 ?   ?   ?   C . n 
B 1 169 SER 169 413 ?   ?   ?   C . n 
B 1 170 ALA 170 414 ?   ?   ?   C . n 
B 1 171 ASP 171 415 ?   ?   ?   C . n 
B 1 172 SER 172 416 ?   ?   ?   C . n 
B 1 173 THR 173 417 ?   ?   ?   C . n 
B 1 174 GLN 174 418 ?   ?   ?   C . n 
B 1 175 ALA 175 419 ?   ?   ?   C . n 
C 1 1   MET 1   245 ?   ?   ?   B . n 
C 1 2   GLY 2   246 ?   ?   ?   B . n 
C 1 3   THR 3   247 ?   ?   ?   B . n 
C 1 4   LYS 4   248 ?   ?   ?   B . n 
C 1 5   LYS 5   249 ?   ?   ?   B . n 
C 1 6   SER 6   250 ?   ?   ?   B . n 
C 1 7   ALA 7   251 ?   ?   ?   B . n 
C 1 8   ALA 8   252 ?   ?   ?   B . n 
C 1 9   GLU 9   253 253 GLU GLU B . n 
C 1 10  ALA 10  254 254 ALA ALA B . n 
C 1 11  SER 11  255 255 SER SER B . n 
C 1 12  LYS 12  256 256 LYS LYS B . n 
C 1 13  LYS 13  257 257 LYS LYS B . n 
C 1 14  PRO 14  258 258 PRO PRO B . n 
C 1 15  ARG 15  259 259 ARG ARG B . n 
C 1 16  GLN 16  260 260 GLN GLN B . n 
C 1 17  LYS 17  261 261 LYS LYS B . n 
C 1 18  ARG 18  262 262 ARG ARG B . n 
C 1 19  THR 19  263 263 THR THR B . n 
C 1 20  ALA 20  264 264 ALA ALA B . n 
C 1 21  THR 21  265 265 THR THR B . n 
C 1 22  LYS 22  266 266 LYS LYS B . n 
C 1 23  ALA 23  267 267 ALA ALA B . n 
C 1 24  TYR 24  268 268 TYR TYR B . n 
C 1 25  ASN 25  269 269 ASN ASN B . n 
C 1 26  VAL 26  270 270 VAL VAL B . n 
C 1 27  THR 27  271 271 THR THR B . n 
C 1 28  GLN 28  272 272 GLN GLN B . n 
C 1 29  ALA 29  273 273 ALA ALA B . n 
C 1 30  PHE 30  274 274 PHE PHE B . n 
C 1 31  GLY 31  275 275 GLY GLY B . n 
C 1 32  ARG 32  276 276 ARG ARG B . n 
C 1 33  ARG 33  277 277 ARG ARG B . n 
C 1 34  GLY 34  278 278 GLY GLY B . n 
C 1 35  PRO 35  279 279 PRO PRO B . n 
C 1 36  GLU 36  280 280 GLU GLU B . n 
C 1 37  GLN 37  281 281 GLN GLN B . n 
C 1 38  THR 38  282 282 THR THR B . n 
C 1 39  GLN 39  283 283 GLN GLN B . n 
C 1 40  GLY 40  284 284 GLY GLY B . n 
C 1 41  ASN 41  285 285 ASN ASN B . n 
C 1 42  PHE 42  286 286 PHE PHE B . n 
C 1 43  GLY 43  287 287 GLY GLY B . n 
C 1 44  ASP 44  288 288 ASP ASP B . n 
C 1 45  GLN 45  289 289 GLN GLN B . n 
C 1 46  GLU 46  290 290 GLU GLU B . n 
C 1 47  LEU 47  291 291 LEU LEU B . n 
C 1 48  ILE 48  292 292 ILE ILE B . n 
C 1 49  ARG 49  293 293 ARG ARG B . n 
C 1 50  GLN 50  294 294 GLN GLN B . n 
C 1 51  GLY 51  295 295 GLY GLY B . n 
C 1 52  THR 52  296 296 THR THR B . n 
C 1 53  ASP 53  297 297 ASP ASP B . n 
C 1 54  TYR 54  298 298 TYR TYR B . n 
C 1 55  LYS 55  299 299 LYS LYS B . n 
C 1 56  HIS 56  300 300 HIS HIS B . n 
C 1 57  TRP 57  301 301 TRP TRP B . n 
C 1 58  PRO 58  302 302 PRO PRO B . n 
C 1 59  GLN 59  303 303 GLN GLN B . n 
C 1 60  ILE 60  304 304 ILE ILE B . n 
C 1 61  ALA 61  305 305 ALA ALA B . n 
C 1 62  GLN 62  306 306 GLN GLN B . n 
C 1 63  PHE 63  307 307 PHE PHE B . n 
C 1 64  ALA 64  308 308 ALA ALA B . n 
C 1 65  PRO 65  309 309 PRO PRO B . n 
C 1 66  SER 66  310 310 SER SER B . n 
C 1 67  ALA 67  311 311 ALA ALA B . n 
C 1 68  SER 68  312 312 SER SER B . n 
C 1 69  ALA 69  313 313 ALA ALA B . n 
C 1 70  PHE 70  314 314 PHE PHE B . n 
C 1 71  PHE 71  315 315 PHE PHE B . n 
C 1 72  GLY 72  316 316 GLY GLY B . n 
C 1 73  MET 73  317 317 MET MET B . n 
C 1 74  SER 74  318 318 SER SER B . n 
C 1 75  ARG 75  319 319 ARG ARG B . n 
C 1 76  ILE 76  320 320 ILE ILE B . n 
C 1 77  GLY 77  321 321 GLY GLY B . n 
C 1 78  MET 78  322 322 MET MET B . n 
C 1 79  GLU 79  323 323 GLU GLU B . n 
C 1 80  VAL 80  324 324 VAL VAL B . n 
C 1 81  THR 81  325 325 THR THR B . n 
C 1 82  PRO 82  326 326 PRO PRO B . n 
C 1 83  SER 83  327 327 SER SER B . n 
C 1 84  GLY 84  328 328 GLY GLY B . n 
C 1 85  THR 85  329 329 THR THR B . n 
C 1 86  TRP 86  330 330 TRP TRP B . n 
C 1 87  LEU 87  331 331 LEU LEU B . n 
C 1 88  THR 88  332 332 THR THR B . n 
C 1 89  TYR 89  333 333 TYR TYR B . n 
C 1 90  THR 90  334 334 THR THR B . n 
C 1 91  GLY 91  335 335 GLY GLY B . n 
C 1 92  ALA 92  336 336 ALA ALA B . n 
C 1 93  ILE 93  337 337 ILE ILE B . n 
C 1 94  LYS 94  338 338 LYS LYS B . n 
C 1 95  LEU 95  339 339 LEU LEU B . n 
C 1 96  ASP 96  340 340 ASP ASP B . n 
C 1 97  ASP 97  341 341 ASP ASP B . n 
C 1 98  LYS 98  342 342 LYS LYS B . n 
C 1 99  ASP 99  343 343 ASP ASP B . n 
C 1 100 PRO 100 344 344 PRO PRO B . n 
C 1 101 ASN 101 345 345 ASN ASN B . n 
C 1 102 PHE 102 346 346 PHE PHE B . n 
C 1 103 LYS 103 347 347 LYS LYS B . n 
C 1 104 ASP 104 348 348 ASP ASP B . n 
C 1 105 GLN 105 349 349 GLN GLN B . n 
C 1 106 VAL 106 350 350 VAL VAL B . n 
C 1 107 ILE 107 351 351 ILE ILE B . n 
C 1 108 LEU 108 352 352 LEU LEU B . n 
C 1 109 LEU 109 353 353 LEU LEU B . n 
C 1 110 ASN 110 354 354 ASN ASN B . n 
C 1 111 LYS 111 355 355 LYS LYS B . n 
C 1 112 HIS 112 356 356 HIS HIS B . n 
C 1 113 ILE 113 357 357 ILE ILE B . n 
C 1 114 ASP 114 358 358 ASP ASP B . n 
C 1 115 ALA 115 359 359 ALA ALA B . n 
C 1 116 TYR 116 360 360 TYR TYR B . n 
C 1 117 LYS 117 361 361 LYS LYS B . n 
C 1 118 THR 118 362 362 THR THR B . n 
C 1 119 PHE 119 363 363 PHE PHE B . n 
C 1 120 PRO 120 364 364 PRO PRO B . n 
C 1 121 PRO 121 365 ?   ?   ?   B . n 
C 1 122 THR 122 366 ?   ?   ?   B . n 
C 1 123 GLU 123 367 ?   ?   ?   B . n 
C 1 124 PRO 124 368 ?   ?   ?   B . n 
C 1 125 LYS 125 369 ?   ?   ?   B . n 
C 1 126 LYS 126 370 ?   ?   ?   B . n 
C 1 127 ASP 127 371 ?   ?   ?   B . n 
C 1 128 LYS 128 372 ?   ?   ?   B . n 
C 1 129 LYS 129 373 ?   ?   ?   B . n 
C 1 130 LYS 130 374 ?   ?   ?   B . n 
C 1 131 LYS 131 375 ?   ?   ?   B . n 
C 1 132 ALA 132 376 ?   ?   ?   B . n 
C 1 133 ASP 133 377 ?   ?   ?   B . n 
C 1 134 GLU 134 378 ?   ?   ?   B . n 
C 1 135 THR 135 379 ?   ?   ?   B . n 
C 1 136 GLN 136 380 ?   ?   ?   B . n 
C 1 137 ALA 137 381 ?   ?   ?   B . n 
C 1 138 LEU 138 382 ?   ?   ?   B . n 
C 1 139 PRO 139 383 ?   ?   ?   B . n 
C 1 140 GLN 140 384 ?   ?   ?   B . n 
C 1 141 ARG 141 385 ?   ?   ?   B . n 
C 1 142 GLN 142 386 ?   ?   ?   B . n 
C 1 143 LYS 143 387 ?   ?   ?   B . n 
C 1 144 LYS 144 388 ?   ?   ?   B . n 
C 1 145 GLN 145 389 ?   ?   ?   B . n 
C 1 146 GLN 146 390 ?   ?   ?   B . n 
C 1 147 THR 147 391 ?   ?   ?   B . n 
C 1 148 VAL 148 392 ?   ?   ?   B . n 
C 1 149 THR 149 393 ?   ?   ?   B . n 
C 1 150 LEU 150 394 ?   ?   ?   B . n 
C 1 151 LEU 151 395 ?   ?   ?   B . n 
C 1 152 PRO 152 396 ?   ?   ?   B . n 
C 1 153 ALA 153 397 ?   ?   ?   B . n 
C 1 154 ALA 154 398 ?   ?   ?   B . n 
C 1 155 ASP 155 399 ?   ?   ?   B . n 
C 1 156 LEU 156 400 ?   ?   ?   B . n 
C 1 157 ASP 157 401 ?   ?   ?   B . n 
C 1 158 ASP 158 402 ?   ?   ?   B . n 
C 1 159 PHE 159 403 ?   ?   ?   B . n 
C 1 160 SER 160 404 ?   ?   ?   B . n 
C 1 161 LYS 161 405 ?   ?   ?   B . n 
C 1 162 GLN 162 406 ?   ?   ?   B . n 
C 1 163 LEU 163 407 ?   ?   ?   B . n 
C 1 164 GLN 164 408 ?   ?   ?   B . n 
C 1 165 GLN 165 409 ?   ?   ?   B . n 
C 1 166 SER 166 410 ?   ?   ?   B . n 
C 1 167 MET 167 411 ?   ?   ?   B . n 
C 1 168 SER 168 412 ?   ?   ?   B . n 
C 1 169 SER 169 413 ?   ?   ?   B . n 
C 1 170 ALA 170 414 ?   ?   ?   B . n 
C 1 171 ASP 171 415 ?   ?   ?   B . n 
C 1 172 SER 172 416 ?   ?   ?   B . n 
C 1 173 THR 173 417 ?   ?   ?   B . n 
C 1 174 GLN 174 418 ?   ?   ?   B . n 
C 1 175 ALA 175 419 ?   ?   ?   B . n 
D 1 1   MET 1   245 ?   ?   ?   D . n 
D 1 2   GLY 2   246 ?   ?   ?   D . n 
D 1 3   THR 3   247 ?   ?   ?   D . n 
D 1 4   LYS 4   248 ?   ?   ?   D . n 
D 1 5   LYS 5   249 ?   ?   ?   D . n 
D 1 6   SER 6   250 ?   ?   ?   D . n 
D 1 7   ALA 7   251 ?   ?   ?   D . n 
D 1 8   ALA 8   252 ?   ?   ?   D . n 
D 1 9   GLU 9   253 ?   ?   ?   D . n 
D 1 10  ALA 10  254 254 ALA ALA D . n 
D 1 11  SER 11  255 255 SER SER D . n 
D 1 12  LYS 12  256 256 LYS LYS D . n 
D 1 13  LYS 13  257 257 LYS LYS D . n 
D 1 14  PRO 14  258 258 PRO PRO D . n 
D 1 15  ARG 15  259 259 ARG ARG D . n 
D 1 16  GLN 16  260 260 GLN GLN D . n 
D 1 17  LYS 17  261 261 LYS LYS D . n 
D 1 18  ARG 18  262 262 ARG ARG D . n 
D 1 19  THR 19  263 263 THR THR D . n 
D 1 20  ALA 20  264 264 ALA ALA D . n 
D 1 21  THR 21  265 265 THR THR D . n 
D 1 22  LYS 22  266 266 LYS LYS D . n 
D 1 23  ALA 23  267 267 ALA ALA D . n 
D 1 24  TYR 24  268 268 TYR TYR D . n 
D 1 25  ASN 25  269 269 ASN ASN D . n 
D 1 26  VAL 26  270 270 VAL VAL D . n 
D 1 27  THR 27  271 271 THR THR D . n 
D 1 28  GLN 28  272 272 GLN GLN D . n 
D 1 29  ALA 29  273 273 ALA ALA D . n 
D 1 30  PHE 30  274 274 PHE PHE D . n 
D 1 31  GLY 31  275 275 GLY GLY D . n 
D 1 32  ARG 32  276 276 ARG ARG D . n 
D 1 33  ARG 33  277 277 ARG ARG D . n 
D 1 34  GLY 34  278 278 GLY GLY D . n 
D 1 35  PRO 35  279 279 PRO PRO D . n 
D 1 36  GLU 36  280 280 GLU GLU D . n 
D 1 37  GLN 37  281 281 GLN GLN D . n 
D 1 38  THR 38  282 282 THR THR D . n 
D 1 39  GLN 39  283 283 GLN GLN D . n 
D 1 40  GLY 40  284 284 GLY GLY D . n 
D 1 41  ASN 41  285 285 ASN ASN D . n 
D 1 42  PHE 42  286 286 PHE PHE D . n 
D 1 43  GLY 43  287 287 GLY GLY D . n 
D 1 44  ASP 44  288 288 ASP ASP D . n 
D 1 45  GLN 45  289 289 GLN GLN D . n 
D 1 46  GLU 46  290 290 GLU GLU D . n 
D 1 47  LEU 47  291 291 LEU LEU D . n 
D 1 48  ILE 48  292 292 ILE ILE D . n 
D 1 49  ARG 49  293 293 ARG ARG D . n 
D 1 50  GLN 50  294 294 GLN GLN D . n 
D 1 51  GLY 51  295 295 GLY GLY D . n 
D 1 52  THR 52  296 296 THR THR D . n 
D 1 53  ASP 53  297 297 ASP ASP D . n 
D 1 54  TYR 54  298 298 TYR TYR D . n 
D 1 55  LYS 55  299 299 LYS LYS D . n 
D 1 56  HIS 56  300 300 HIS HIS D . n 
D 1 57  TRP 57  301 301 TRP TRP D . n 
D 1 58  PRO 58  302 302 PRO PRO D . n 
D 1 59  GLN 59  303 303 GLN GLN D . n 
D 1 60  ILE 60  304 304 ILE ILE D . n 
D 1 61  ALA 61  305 305 ALA ALA D . n 
D 1 62  GLN 62  306 306 GLN GLN D . n 
D 1 63  PHE 63  307 307 PHE PHE D . n 
D 1 64  ALA 64  308 308 ALA ALA D . n 
D 1 65  PRO 65  309 309 PRO PRO D . n 
D 1 66  SER 66  310 310 SER SER D . n 
D 1 67  ALA 67  311 311 ALA ALA D . n 
D 1 68  SER 68  312 312 SER SER D . n 
D 1 69  ALA 69  313 313 ALA ALA D . n 
D 1 70  PHE 70  314 314 PHE PHE D . n 
D 1 71  PHE 71  315 315 PHE PHE D . n 
D 1 72  GLY 72  316 316 GLY GLY D . n 
D 1 73  MET 73  317 317 MET MET D . n 
D 1 74  SER 74  318 318 SER SER D . n 
D 1 75  ARG 75  319 319 ARG ARG D . n 
D 1 76  ILE 76  320 320 ILE ILE D . n 
D 1 77  GLY 77  321 321 GLY GLY D . n 
D 1 78  MET 78  322 322 MET MET D . n 
D 1 79  GLU 79  323 323 GLU GLU D . n 
D 1 80  VAL 80  324 324 VAL VAL D . n 
D 1 81  THR 81  325 325 THR THR D . n 
D 1 82  PRO 82  326 326 PRO PRO D . n 
D 1 83  SER 83  327 327 SER SER D . n 
D 1 84  GLY 84  328 328 GLY GLY D . n 
D 1 85  THR 85  329 329 THR THR D . n 
D 1 86  TRP 86  330 330 TRP TRP D . n 
D 1 87  LEU 87  331 331 LEU LEU D . n 
D 1 88  THR 88  332 332 THR THR D . n 
D 1 89  TYR 89  333 333 TYR TYR D . n 
D 1 90  THR 90  334 334 THR THR D . n 
D 1 91  GLY 91  335 335 GLY GLY D . n 
D 1 92  ALA 92  336 336 ALA ALA D . n 
D 1 93  ILE 93  337 337 ILE ILE D . n 
D 1 94  LYS 94  338 338 LYS LYS D . n 
D 1 95  LEU 95  339 339 LEU LEU D . n 
D 1 96  ASP 96  340 340 ASP ASP D . n 
D 1 97  ASP 97  341 341 ASP ASP D . n 
D 1 98  LYS 98  342 342 LYS LYS D . n 
D 1 99  ASP 99  343 343 ASP ASP D . n 
D 1 100 PRO 100 344 344 PRO PRO D . n 
D 1 101 ASN 101 345 345 ASN ASN D . n 
D 1 102 PHE 102 346 346 PHE PHE D . n 
D 1 103 LYS 103 347 347 LYS LYS D . n 
D 1 104 ASP 104 348 348 ASP ASP D . n 
D 1 105 GLN 105 349 349 GLN GLN D . n 
D 1 106 VAL 106 350 350 VAL VAL D . n 
D 1 107 ILE 107 351 351 ILE ILE D . n 
D 1 108 LEU 108 352 352 LEU LEU D . n 
D 1 109 LEU 109 353 353 LEU LEU D . n 
D 1 110 ASN 110 354 354 ASN ASN D . n 
D 1 111 LYS 111 355 355 LYS LYS D . n 
D 1 112 HIS 112 356 356 HIS HIS D . n 
D 1 113 ILE 113 357 357 ILE ILE D . n 
D 1 114 ASP 114 358 358 ASP ASP D . n 
D 1 115 ALA 115 359 359 ALA ALA D . n 
D 1 116 TYR 116 360 360 TYR TYR D . n 
D 1 117 LYS 117 361 361 LYS LYS D . n 
D 1 118 THR 118 362 362 THR THR D . n 
D 1 119 PHE 119 363 363 PHE PHE D . n 
D 1 120 PRO 120 364 364 PRO PRO D . n 
D 1 121 PRO 121 365 ?   ?   ?   D . n 
D 1 122 THR 122 366 ?   ?   ?   D . n 
D 1 123 GLU 123 367 ?   ?   ?   D . n 
D 1 124 PRO 124 368 ?   ?   ?   D . n 
D 1 125 LYS 125 369 ?   ?   ?   D . n 
D 1 126 LYS 126 370 ?   ?   ?   D . n 
D 1 127 ASP 127 371 ?   ?   ?   D . n 
D 1 128 LYS 128 372 ?   ?   ?   D . n 
D 1 129 LYS 129 373 ?   ?   ?   D . n 
D 1 130 LYS 130 374 ?   ?   ?   D . n 
D 1 131 LYS 131 375 ?   ?   ?   D . n 
D 1 132 ALA 132 376 ?   ?   ?   D . n 
D 1 133 ASP 133 377 ?   ?   ?   D . n 
D 1 134 GLU 134 378 ?   ?   ?   D . n 
D 1 135 THR 135 379 ?   ?   ?   D . n 
D 1 136 GLN 136 380 ?   ?   ?   D . n 
D 1 137 ALA 137 381 ?   ?   ?   D . n 
D 1 138 LEU 138 382 ?   ?   ?   D . n 
D 1 139 PRO 139 383 ?   ?   ?   D . n 
D 1 140 GLN 140 384 ?   ?   ?   D . n 
D 1 141 ARG 141 385 ?   ?   ?   D . n 
D 1 142 GLN 142 386 ?   ?   ?   D . n 
D 1 143 LYS 143 387 ?   ?   ?   D . n 
D 1 144 LYS 144 388 ?   ?   ?   D . n 
D 1 145 GLN 145 389 ?   ?   ?   D . n 
D 1 146 GLN 146 390 ?   ?   ?   D . n 
D 1 147 THR 147 391 ?   ?   ?   D . n 
D 1 148 VAL 148 392 ?   ?   ?   D . n 
D 1 149 THR 149 393 ?   ?   ?   D . n 
D 1 150 LEU 150 394 ?   ?   ?   D . n 
D 1 151 LEU 151 395 ?   ?   ?   D . n 
D 1 152 PRO 152 396 ?   ?   ?   D . n 
D 1 153 ALA 153 397 ?   ?   ?   D . n 
D 1 154 ALA 154 398 ?   ?   ?   D . n 
D 1 155 ASP 155 399 ?   ?   ?   D . n 
D 1 156 LEU 156 400 ?   ?   ?   D . n 
D 1 157 ASP 157 401 ?   ?   ?   D . n 
D 1 158 ASP 158 402 ?   ?   ?   D . n 
D 1 159 PHE 159 403 ?   ?   ?   D . n 
D 1 160 SER 160 404 ?   ?   ?   D . n 
D 1 161 LYS 161 405 ?   ?   ?   D . n 
D 1 162 GLN 162 406 ?   ?   ?   D . n 
D 1 163 LEU 163 407 ?   ?   ?   D . n 
D 1 164 GLN 164 408 ?   ?   ?   D . n 
D 1 165 GLN 165 409 ?   ?   ?   D . n 
D 1 166 SER 166 410 ?   ?   ?   D . n 
D 1 167 MET 167 411 ?   ?   ?   D . n 
D 1 168 SER 168 412 ?   ?   ?   D . n 
D 1 169 SER 169 413 ?   ?   ?   D . n 
D 1 170 ALA 170 414 ?   ?   ?   D . n 
D 1 171 ASP 171 415 ?   ?   ?   D . n 
D 1 172 SER 172 416 ?   ?   ?   D . n 
D 1 173 THR 173 417 ?   ?   ?   D . n 
D 1 174 GLN 174 418 ?   ?   ?   D . n 
D 1 175 ALA 175 419 ?   ?   ?   D . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        9F2 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   9F2 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
E 2 SO4 1   501 501 SO4 SO4 A . 
F 3 9F2 1   502 502 9F2 9F2 A . 
G 3 9F2 1   503 503 9F2 9F2 A . 
H 4 PEG 1   501 671 PEG PEG D . 
I 3 9F2 1   502 401 9F2 9F2 D . 
J 5 HOH 1   601 601 HOH HOH A . 
J 5 HOH 2   602 603 HOH HOH A . 
J 5 HOH 3   603 615 HOH HOH A . 
J 5 HOH 4   604 620 HOH HOH A . 
J 5 HOH 5   605 606 HOH HOH A . 
J 5 HOH 6   606 607 HOH HOH A . 
J 5 HOH 7   607 612 HOH HOH A . 
J 5 HOH 8   608 608 HOH HOH A . 
J 5 HOH 9   609 602 HOH HOH A . 
J 5 HOH 10  610 610 HOH HOH A . 
J 5 HOH 11  611 604 HOH HOH A . 
J 5 HOH 12  612 609 HOH HOH A . 
J 5 HOH 13  613 617 HOH HOH A . 
J 5 HOH 14  614 618 HOH HOH A . 
J 5 HOH 15  615 619 HOH HOH A . 
J 5 HOH 16  616 616 HOH HOH A . 
J 5 HOH 17  617 645 HOH HOH A . 
J 5 HOH 18  618 613 HOH HOH A . 
J 5 HOH 19  619 622 HOH HOH A . 
J 5 HOH 20  620 629 HOH HOH A . 
J 5 HOH 21  621 624 HOH HOH A . 
J 5 HOH 22  622 614 HOH HOH A . 
J 5 HOH 23  623 626 HOH HOH A . 
J 5 HOH 24  624 647 HOH HOH A . 
J 5 HOH 25  625 630 HOH HOH A . 
J 5 HOH 26  626 639 HOH HOH A . 
J 5 HOH 27  627 659 HOH HOH A . 
J 5 HOH 28  628 649 HOH HOH A . 
J 5 HOH 29  629 648 HOH HOH A . 
J 5 HOH 30  630 691 HOH HOH A . 
J 5 HOH 31  631 640 HOH HOH A . 
J 5 HOH 32  632 623 HOH HOH A . 
J 5 HOH 33  633 637 HOH HOH A . 
J 5 HOH 34  634 641 HOH HOH A . 
J 5 HOH 35  635 633 HOH HOH A . 
J 5 HOH 36  636 628 HOH HOH A . 
J 5 HOH 37  637 632 HOH HOH A . 
J 5 HOH 38  638 635 HOH HOH A . 
J 5 HOH 39  639 621 HOH HOH A . 
J 5 HOH 40  640 670 HOH HOH A . 
J 5 HOH 41  641 643 HOH HOH A . 
J 5 HOH 42  642 662 HOH HOH A . 
J 5 HOH 43  643 656 HOH HOH A . 
J 5 HOH 44  644 666 HOH HOH A . 
J 5 HOH 45  645 627 HOH HOH A . 
J 5 HOH 46  646 646 HOH HOH A . 
J 5 HOH 47  647 631 HOH HOH A . 
J 5 HOH 48  648 755 HOH HOH A . 
J 5 HOH 49  649 519 HOH HOH A . 
J 5 HOH 50  650 634 HOH HOH A . 
J 5 HOH 51  651 625 HOH HOH A . 
J 5 HOH 52  652 650 HOH HOH A . 
J 5 HOH 53  653 654 HOH HOH A . 
J 5 HOH 54  654 651 HOH HOH A . 
J 5 HOH 55  655 658 HOH HOH A . 
J 5 HOH 56  656 669 HOH HOH A . 
J 5 HOH 57  657 671 HOH HOH A . 
J 5 HOH 58  658 642 HOH HOH A . 
J 5 HOH 59  659 638 HOH HOH A . 
J 5 HOH 60  660 733 HOH HOH A . 
J 5 HOH 61  661 665 HOH HOH A . 
J 5 HOH 62  662 652 HOH HOH A . 
J 5 HOH 63  663 663 HOH HOH A . 
J 5 HOH 64  664 660 HOH HOH A . 
J 5 HOH 65  665 657 HOH HOH A . 
J 5 HOH 66  666 680 HOH HOH A . 
J 5 HOH 67  667 672 HOH HOH A . 
J 5 HOH 68  668 664 HOH HOH A . 
J 5 HOH 69  669 689 HOH HOH A . 
J 5 HOH 70  670 683 HOH HOH A . 
J 5 HOH 71  671 668 HOH HOH A . 
J 5 HOH 72  672 644 HOH HOH A . 
J 5 HOH 73  673 661 HOH HOH A . 
J 5 HOH 74  674 655 HOH HOH A . 
J 5 HOH 75  675 611 HOH HOH A . 
J 5 HOH 76  676 685 HOH HOH A . 
J 5 HOH 77  677 679 HOH HOH A . 
J 5 HOH 78  678 653 HOH HOH A . 
J 5 HOH 79  679 703 HOH HOH A . 
J 5 HOH 80  680 697 HOH HOH A . 
J 5 HOH 81  681 681 HOH HOH A . 
J 5 HOH 82  682 674 HOH HOH A . 
J 5 HOH 83  683 682 HOH HOH A . 
J 5 HOH 84  684 684 HOH HOH A . 
J 5 HOH 85  685 688 HOH HOH A . 
J 5 HOH 86  686 675 HOH HOH A . 
J 5 HOH 87  687 673 HOH HOH A . 
J 5 HOH 88  688 698 HOH HOH A . 
J 5 HOH 89  689 695 HOH HOH A . 
J 5 HOH 90  690 709 HOH HOH A . 
J 5 HOH 91  691 696 HOH HOH A . 
J 5 HOH 92  692 707 HOH HOH A . 
J 5 HOH 93  693 694 HOH HOH A . 
J 5 HOH 94  694 700 HOH HOH A . 
J 5 HOH 95  695 732 HOH HOH A . 
J 5 HOH 96  696 687 HOH HOH A . 
J 5 HOH 97  697 720 HOH HOH A . 
J 5 HOH 98  698 676 HOH HOH A . 
J 5 HOH 99  699 712 HOH HOH A . 
J 5 HOH 100 700 677 HOH HOH A . 
J 5 HOH 101 701 693 HOH HOH A . 
J 5 HOH 102 702 705 HOH HOH A . 
J 5 HOH 103 703 706 HOH HOH A . 
J 5 HOH 104 704 701 HOH HOH A . 
J 5 HOH 105 705 704 HOH HOH A . 
J 5 HOH 106 706 692 HOH HOH A . 
J 5 HOH 107 707 711 HOH HOH A . 
J 5 HOH 108 708 719 HOH HOH A . 
J 5 HOH 109 709 714 HOH HOH A . 
J 5 HOH 110 710 678 HOH HOH A . 
J 5 HOH 111 711 739 HOH HOH A . 
J 5 HOH 112 712 686 HOH HOH A . 
J 5 HOH 113 713 699 HOH HOH A . 
J 5 HOH 114 714 713 HOH HOH A . 
J 5 HOH 115 715 718 HOH HOH A . 
J 5 HOH 116 716 717 HOH HOH A . 
J 5 HOH 117 717 728 HOH HOH A . 
J 5 HOH 118 718 715 HOH HOH A . 
J 5 HOH 119 719 702 HOH HOH A . 
J 5 HOH 120 720 708 HOH HOH A . 
J 5 HOH 121 721 744 HOH HOH A . 
J 5 HOH 122 722 729 HOH HOH A . 
J 5 HOH 123 723 722 HOH HOH A . 
J 5 HOH 124 724 723 HOH HOH A . 
J 5 HOH 125 725 740 HOH HOH A . 
J 5 HOH 126 726 724 HOH HOH A . 
J 5 HOH 127 727 710 HOH HOH A . 
J 5 HOH 128 728 721 HOH HOH A . 
J 5 HOH 129 729 738 HOH HOH A . 
J 5 HOH 130 730 747 HOH HOH A . 
J 5 HOH 131 731 726 HOH HOH A . 
J 5 HOH 132 732 730 HOH HOH A . 
J 5 HOH 133 733 751 HOH HOH A . 
J 5 HOH 134 734 725 HOH HOH A . 
J 5 HOH 135 735 690 HOH HOH A . 
J 5 HOH 136 736 741 HOH HOH A . 
J 5 HOH 137 737 727 HOH HOH A . 
J 5 HOH 138 738 731 HOH HOH A . 
J 5 HOH 139 739 743 HOH HOH A . 
J 5 HOH 140 740 716 HOH HOH A . 
J 5 HOH 141 741 757 HOH HOH A . 
J 5 HOH 142 742 734 HOH HOH A . 
J 5 HOH 143 743 749 HOH HOH A . 
J 5 HOH 144 744 753 HOH HOH A . 
J 5 HOH 145 745 748 HOH HOH A . 
J 5 HOH 146 746 758 HOH HOH A . 
J 5 HOH 147 747 752 HOH HOH A . 
J 5 HOH 148 748 735 HOH HOH A . 
J 5 HOH 149 749 736 HOH HOH A . 
J 5 HOH 150 750 737 HOH HOH A . 
J 5 HOH 151 751 746 HOH HOH A . 
J 5 HOH 152 752 745 HOH HOH A . 
J 5 HOH 153 753 762 HOH HOH A . 
J 5 HOH 154 754 742 HOH HOH A . 
J 5 HOH 155 755 605 HOH HOH A . 
J 5 HOH 156 756 750 HOH HOH A . 
J 5 HOH 157 757 756 HOH HOH A . 
J 5 HOH 158 758 760 HOH HOH A . 
J 5 HOH 159 759 764 HOH HOH A . 
J 5 HOH 160 760 782 HOH HOH A . 
J 5 HOH 161 761 754 HOH HOH A . 
J 5 HOH 162 762 761 HOH HOH A . 
J 5 HOH 163 763 759 HOH HOH A . 
J 5 HOH 164 764 780 HOH HOH A . 
J 5 HOH 165 765 763 HOH HOH A . 
J 5 HOH 166 766 766 HOH HOH A . 
J 5 HOH 167 767 773 HOH HOH A . 
J 5 HOH 168 768 765 HOH HOH A . 
J 5 HOH 169 769 768 HOH HOH A . 
J 5 HOH 170 770 769 HOH HOH A . 
J 5 HOH 171 771 772 HOH HOH A . 
J 5 HOH 172 772 771 HOH HOH A . 
J 5 HOH 173 773 778 HOH HOH A . 
J 5 HOH 174 774 776 HOH HOH A . 
J 5 HOH 175 775 770 HOH HOH A . 
J 5 HOH 176 776 781 HOH HOH A . 
J 5 HOH 177 777 767 HOH HOH A . 
J 5 HOH 178 778 774 HOH HOH A . 
J 5 HOH 179 779 783 HOH HOH A . 
J 5 HOH 180 780 775 HOH HOH A . 
J 5 HOH 181 781 789 HOH HOH A . 
J 5 HOH 182 782 777 HOH HOH A . 
J 5 HOH 183 783 779 HOH HOH A . 
J 5 HOH 184 784 785 HOH HOH A . 
J 5 HOH 185 785 784 HOH HOH A . 
J 5 HOH 186 786 787 HOH HOH A . 
J 5 HOH 187 787 786 HOH HOH A . 
J 5 HOH 188 788 791 HOH HOH A . 
J 5 HOH 189 789 790 HOH HOH A . 
J 5 HOH 190 790 792 HOH HOH A . 
J 5 HOH 191 791 793 HOH HOH A . 
J 5 HOH 192 792 794 HOH HOH A . 
K 5 HOH 1   501 503 HOH HOH C . 
K 5 HOH 2   502 502 HOH HOH C . 
K 5 HOH 3   503 504 HOH HOH C . 
K 5 HOH 4   504 508 HOH HOH C . 
K 5 HOH 5   505 501 HOH HOH C . 
K 5 HOH 6   506 510 HOH HOH C . 
K 5 HOH 7   507 507 HOH HOH C . 
K 5 HOH 8   508 517 HOH HOH C . 
K 5 HOH 9   509 509 HOH HOH C . 
K 5 HOH 10  510 536 HOH HOH C . 
K 5 HOH 11  511 505 HOH HOH C . 
K 5 HOH 12  512 542 HOH HOH C . 
K 5 HOH 13  513 539 HOH HOH C . 
K 5 HOH 14  514 520 HOH HOH C . 
K 5 HOH 15  515 506 HOH HOH C . 
K 5 HOH 16  516 511 HOH HOH C . 
K 5 HOH 17  517 513 HOH HOH C . 
K 5 HOH 18  518 512 HOH HOH C . 
K 5 HOH 19  519 515 HOH HOH C . 
K 5 HOH 20  520 514 HOH HOH C . 
K 5 HOH 21  521 554 HOH HOH C . 
K 5 HOH 22  522 548 HOH HOH C . 
K 5 HOH 23  523 521 HOH HOH C . 
K 5 HOH 24  524 538 HOH HOH C . 
K 5 HOH 25  525 600 HOH HOH C . 
K 5 HOH 26  526 531 HOH HOH C . 
K 5 HOH 27  527 555 HOH HOH C . 
K 5 HOH 28  528 541 HOH HOH C . 
K 5 HOH 29  529 532 HOH HOH C . 
K 5 HOH 30  530 523 HOH HOH C . 
K 5 HOH 31  531 524 HOH HOH C . 
K 5 HOH 32  532 522 HOH HOH C . 
K 5 HOH 33  533 573 HOH HOH C . 
K 5 HOH 34  534 527 HOH HOH C . 
K 5 HOH 35  535 534 HOH HOH C . 
K 5 HOH 36  536 533 HOH HOH C . 
K 5 HOH 37  537 516 HOH HOH C . 
K 5 HOH 38  538 519 HOH HOH C . 
K 5 HOH 39  539 525 HOH HOH C . 
K 5 HOH 40  540 537 HOH HOH C . 
K 5 HOH 41  541 561 HOH HOH C . 
K 5 HOH 42  542 561 HOH HOH C . 
K 5 HOH 43  543 543 HOH HOH C . 
K 5 HOH 44  544 530 HOH HOH C . 
K 5 HOH 45  545 528 HOH HOH C . 
K 5 HOH 46  546 551 HOH HOH C . 
K 5 HOH 47  547 546 HOH HOH C . 
K 5 HOH 48  548 544 HOH HOH C . 
K 5 HOH 49  549 529 HOH HOH C . 
K 5 HOH 50  550 558 HOH HOH C . 
K 5 HOH 51  551 597 HOH HOH C . 
K 5 HOH 52  552 557 HOH HOH C . 
K 5 HOH 53  553 563 HOH HOH C . 
K 5 HOH 54  554 570 HOH HOH C . 
K 5 HOH 55  555 579 HOH HOH C . 
K 5 HOH 56  556 566 HOH HOH C . 
K 5 HOH 57  557 565 HOH HOH C . 
K 5 HOH 58  558 556 HOH HOH C . 
K 5 HOH 59  559 560 HOH HOH C . 
K 5 HOH 60  560 526 HOH HOH C . 
K 5 HOH 61  561 518 HOH HOH C . 
K 5 HOH 62  562 567 HOH HOH C . 
K 5 HOH 63  563 575 HOH HOH C . 
K 5 HOH 64  564 547 HOH HOH C . 
K 5 HOH 65  565 583 HOH HOH C . 
K 5 HOH 66  566 595 HOH HOH C . 
K 5 HOH 67  567 577 HOH HOH C . 
K 5 HOH 68  568 571 HOH HOH C . 
K 5 HOH 69  569 552 HOH HOH C . 
K 5 HOH 70  570 582 HOH HOH C . 
K 5 HOH 71  571 569 HOH HOH C . 
K 5 HOH 72  572 574 HOH HOH C . 
K 5 HOH 73  573 535 HOH HOH C . 
K 5 HOH 74  574 591 HOH HOH C . 
K 5 HOH 75  575 572 HOH HOH C . 
K 5 HOH 76  576 545 HOH HOH C . 
K 5 HOH 77  577 584 HOH HOH C . 
K 5 HOH 78  578 578 HOH HOH C . 
K 5 HOH 79  579 574 HOH HOH C . 
K 5 HOH 80  580 587 HOH HOH C . 
K 5 HOH 81  581 585 HOH HOH C . 
K 5 HOH 82  582 605 HOH HOH C . 
K 5 HOH 83  583 580 HOH HOH C . 
K 5 HOH 84  584 564 HOH HOH C . 
K 5 HOH 85  585 550 HOH HOH C . 
K 5 HOH 86  586 590 HOH HOH C . 
K 5 HOH 87  587 568 HOH HOH C . 
K 5 HOH 88  588 586 HOH HOH C . 
K 5 HOH 89  589 599 HOH HOH C . 
K 5 HOH 90  590 559 HOH HOH C . 
K 5 HOH 91  591 562 HOH HOH C . 
K 5 HOH 92  592 588 HOH HOH C . 
K 5 HOH 93  593 589 HOH HOH C . 
K 5 HOH 94  594 598 HOH HOH C . 
K 5 HOH 95  595 594 HOH HOH C . 
K 5 HOH 96  596 593 HOH HOH C . 
K 5 HOH 97  597 581 HOH HOH C . 
K 5 HOH 98  598 609 HOH HOH C . 
K 5 HOH 99  599 576 HOH HOH C . 
K 5 HOH 100 600 602 HOH HOH C . 
K 5 HOH 101 601 596 HOH HOH C . 
K 5 HOH 102 602 603 HOH HOH C . 
K 5 HOH 103 603 604 HOH HOH C . 
K 5 HOH 104 604 601 HOH HOH C . 
K 5 HOH 105 605 592 HOH HOH C . 
K 5 HOH 106 606 610 HOH HOH C . 
K 5 HOH 107 607 611 HOH HOH C . 
K 5 HOH 108 608 607 HOH HOH C . 
K 5 HOH 109 609 608 HOH HOH C . 
K 5 HOH 110 610 612 HOH HOH C . 
K 5 HOH 111 611 606 HOH HOH C . 
K 5 HOH 112 612 633 HOH HOH C . 
K 5 HOH 113 613 615 HOH HOH C . 
K 5 HOH 114 614 616 HOH HOH C . 
K 5 HOH 115 615 620 HOH HOH C . 
K 5 HOH 116 616 614 HOH HOH C . 
K 5 HOH 117 617 626 HOH HOH C . 
K 5 HOH 118 618 618 HOH HOH C . 
K 5 HOH 119 619 621 HOH HOH C . 
K 5 HOH 120 620 632 HOH HOH C . 
K 5 HOH 121 621 622 HOH HOH C . 
K 5 HOH 122 622 613 HOH HOH C . 
K 5 HOH 123 623 617 HOH HOH C . 
K 5 HOH 124 624 627 HOH HOH C . 
K 5 HOH 125 625 619 HOH HOH C . 
K 5 HOH 126 626 624 HOH HOH C . 
K 5 HOH 127 627 628 HOH HOH C . 
K 5 HOH 128 628 623 HOH HOH C . 
K 5 HOH 129 629 638 HOH HOH C . 
K 5 HOH 130 630 631 HOH HOH C . 
K 5 HOH 131 631 630 HOH HOH C . 
K 5 HOH 132 632 637 HOH HOH C . 
K 5 HOH 133 633 640 HOH HOH C . 
K 5 HOH 134 634 643 HOH HOH C . 
K 5 HOH 135 635 625 HOH HOH C . 
K 5 HOH 136 636 636 HOH HOH C . 
K 5 HOH 137 637 639 HOH HOH C . 
K 5 HOH 138 638 634 HOH HOH C . 
K 5 HOH 139 639 642 HOH HOH C . 
K 5 HOH 140 640 635 HOH HOH C . 
K 5 HOH 141 641 641 HOH HOH C . 
K 5 HOH 142 642 644 HOH HOH C . 
K 5 HOH 143 643 645 HOH HOH C . 
K 5 HOH 144 644 647 HOH HOH C . 
K 5 HOH 145 645 649 HOH HOH C . 
K 5 HOH 146 646 646 HOH HOH C . 
K 5 HOH 147 647 648 HOH HOH C . 
K 5 HOH 148 648 651 HOH HOH C . 
K 5 HOH 149 649 652 HOH HOH C . 
L 5 HOH 1   501 505 HOH HOH B . 
L 5 HOH 2   502 507 HOH HOH B . 
L 5 HOH 3   503 506 HOH HOH B . 
L 5 HOH 4   504 509 HOH HOH B . 
L 5 HOH 5   505 504 HOH HOH B . 
L 5 HOH 6   506 503 HOH HOH B . 
L 5 HOH 7   507 521 HOH HOH B . 
L 5 HOH 8   508 502 HOH HOH B . 
L 5 HOH 9   509 508 HOH HOH B . 
L 5 HOH 10  510 524 HOH HOH B . 
L 5 HOH 11  511 516 HOH HOH B . 
L 5 HOH 12  512 511 HOH HOH B . 
L 5 HOH 13  513 515 HOH HOH B . 
L 5 HOH 14  514 510 HOH HOH B . 
L 5 HOH 15  515 2   HOH HOH B . 
L 5 HOH 16  516 517 HOH HOH B . 
L 5 HOH 17  517 535 HOH HOH B . 
L 5 HOH 18  518 531 HOH HOH B . 
L 5 HOH 19  519 528 HOH HOH B . 
L 5 HOH 20  520 518 HOH HOH B . 
L 5 HOH 21  521 533 HOH HOH B . 
L 5 HOH 22  522 514 HOH HOH B . 
L 5 HOH 23  523 523 HOH HOH B . 
L 5 HOH 24  524 520 HOH HOH B . 
L 5 HOH 25  525 541 HOH HOH B . 
L 5 HOH 26  526 526 HOH HOH B . 
L 5 HOH 27  527 545 HOH HOH B . 
L 5 HOH 28  528 525 HOH HOH B . 
L 5 HOH 29  529 512 HOH HOH B . 
L 5 HOH 30  530 548 HOH HOH B . 
L 5 HOH 31  531 501 HOH HOH B . 
L 5 HOH 32  532 636 HOH HOH B . 
L 5 HOH 33  533 513 HOH HOH B . 
L 5 HOH 34  534 550 HOH HOH B . 
L 5 HOH 35  535 546 HOH HOH B . 
L 5 HOH 36  536 551 HOH HOH B . 
L 5 HOH 37  537 559 HOH HOH B . 
L 5 HOH 38  538 540 HOH HOH B . 
L 5 HOH 39  539 542 HOH HOH B . 
L 5 HOH 40  540 538 HOH HOH B . 
L 5 HOH 41  541 537 HOH HOH B . 
L 5 HOH 42  542 539 HOH HOH B . 
L 5 HOH 43  543 534 HOH HOH B . 
L 5 HOH 44  544 536 HOH HOH B . 
L 5 HOH 45  545 522 HOH HOH B . 
L 5 HOH 46  546 527 HOH HOH B . 
L 5 HOH 47  547 581 HOH HOH B . 
L 5 HOH 48  548 544 HOH HOH B . 
L 5 HOH 49  549 530 HOH HOH B . 
L 5 HOH 50  550 591 HOH HOH B . 
L 5 HOH 51  551 547 HOH HOH B . 
L 5 HOH 52  552 532 HOH HOH B . 
L 5 HOH 53  553 553 HOH HOH B . 
L 5 HOH 54  554 585 HOH HOH B . 
L 5 HOH 55  555 554 HOH HOH B . 
L 5 HOH 56  556 558 HOH HOH B . 
L 5 HOH 57  557 552 HOH HOH B . 
L 5 HOH 58  558 557 HOH HOH B . 
L 5 HOH 59  559 562 HOH HOH B . 
L 5 HOH 60  560 543 HOH HOH B . 
L 5 HOH 61  561 589 HOH HOH B . 
L 5 HOH 62  562 564 HOH HOH B . 
L 5 HOH 63  563 572 HOH HOH B . 
L 5 HOH 64  564 573 HOH HOH B . 
L 5 HOH 65  565 529 HOH HOH B . 
L 5 HOH 66  566 1   HOH HOH B . 
L 5 HOH 67  567 560 HOH HOH B . 
L 5 HOH 68  568 586 HOH HOH B . 
L 5 HOH 69  569 575 HOH HOH B . 
L 5 HOH 70  570 569 HOH HOH B . 
L 5 HOH 71  571 563 HOH HOH B . 
L 5 HOH 72  572 570 HOH HOH B . 
L 5 HOH 73  573 577 HOH HOH B . 
L 5 HOH 74  574 549 HOH HOH B . 
L 5 HOH 75  575 565 HOH HOH B . 
L 5 HOH 76  576 590 HOH HOH B . 
L 5 HOH 77  577 580 HOH HOH B . 
L 5 HOH 78  578 566 HOH HOH B . 
L 5 HOH 79  579 578 HOH HOH B . 
L 5 HOH 80  580 574 HOH HOH B . 
L 5 HOH 81  581 576 HOH HOH B . 
L 5 HOH 82  582 555 HOH HOH B . 
L 5 HOH 83  583 567 HOH HOH B . 
L 5 HOH 84  584 556 HOH HOH B . 
L 5 HOH 85  585 571 HOH HOH B . 
L 5 HOH 86  586 582 HOH HOH B . 
L 5 HOH 87  587 583 HOH HOH B . 
L 5 HOH 88  588 607 HOH HOH B . 
L 5 HOH 89  589 592 HOH HOH B . 
L 5 HOH 90  590 596 HOH HOH B . 
L 5 HOH 91  591 601 HOH HOH B . 
L 5 HOH 92  592 579 HOH HOH B . 
L 5 HOH 93  593 598 HOH HOH B . 
L 5 HOH 94  594 595 HOH HOH B . 
L 5 HOH 95  595 588 HOH HOH B . 
L 5 HOH 96  596 568 HOH HOH B . 
L 5 HOH 97  597 594 HOH HOH B . 
L 5 HOH 98  598 593 HOH HOH B . 
L 5 HOH 99  599 667 HOH HOH B . 
L 5 HOH 100 600 597 HOH HOH B . 
L 5 HOH 101 601 600 HOH HOH B . 
L 5 HOH 102 602 610 HOH HOH B . 
L 5 HOH 103 603 599 HOH HOH B . 
L 5 HOH 104 604 608 HOH HOH B . 
L 5 HOH 105 605 561 HOH HOH B . 
L 5 HOH 106 606 619 HOH HOH B . 
L 5 HOH 107 607 602 HOH HOH B . 
L 5 HOH 108 608 611 HOH HOH B . 
L 5 HOH 109 609 604 HOH HOH B . 
L 5 HOH 110 610 587 HOH HOH B . 
L 5 HOH 111 611 620 HOH HOH B . 
L 5 HOH 112 612 603 HOH HOH B . 
L 5 HOH 113 613 584 HOH HOH B . 
L 5 HOH 114 614 612 HOH HOH B . 
L 5 HOH 115 615 609 HOH HOH B . 
L 5 HOH 116 616 614 HOH HOH B . 
L 5 HOH 117 617 631 HOH HOH B . 
L 5 HOH 118 618 613 HOH HOH B . 
L 5 HOH 119 619 622 HOH HOH B . 
L 5 HOH 120 620 615 HOH HOH B . 
L 5 HOH 121 621 618 HOH HOH B . 
L 5 HOH 122 622 617 HOH HOH B . 
L 5 HOH 123 623 616 HOH HOH B . 
L 5 HOH 124 624 605 HOH HOH B . 
L 5 HOH 125 625 650 HOH HOH B . 
L 5 HOH 126 626 629 HOH HOH B . 
L 5 HOH 127 627 630 HOH HOH B . 
L 5 HOH 128 628 623 HOH HOH B . 
L 5 HOH 129 629 628 HOH HOH B . 
L 5 HOH 130 630 626 HOH HOH B . 
L 5 HOH 131 631 636 HOH HOH B . 
L 5 HOH 132 632 634 HOH HOH B . 
L 5 HOH 133 633 625 HOH HOH B . 
L 5 HOH 134 634 624 HOH HOH B . 
L 5 HOH 135 635 633 HOH HOH B . 
L 5 HOH 136 636 632 HOH HOH B . 
L 5 HOH 137 637 635 HOH HOH B . 
L 5 HOH 138 638 640 HOH HOH B . 
L 5 HOH 139 639 621 HOH HOH B . 
L 5 HOH 140 640 641 HOH HOH B . 
L 5 HOH 141 641 638 HOH HOH B . 
L 5 HOH 142 642 637 HOH HOH B . 
L 5 HOH 143 643 654 HOH HOH B . 
L 5 HOH 144 644 642 HOH HOH B . 
L 5 HOH 145 645 644 HOH HOH B . 
L 5 HOH 146 646 643 HOH HOH B . 
L 5 HOH 147 647 627 HOH HOH B . 
L 5 HOH 148 648 639 HOH HOH B . 
L 5 HOH 149 649 645 HOH HOH B . 
L 5 HOH 150 650 646 HOH HOH B . 
L 5 HOH 151 651 647 HOH HOH B . 
L 5 HOH 152 652 652 HOH HOH B . 
L 5 HOH 153 653 648 HOH HOH B . 
L 5 HOH 154 654 651 HOH HOH B . 
L 5 HOH 155 655 649 HOH HOH B . 
L 5 HOH 156 656 653 HOH HOH B . 
L 5 HOH 157 657 788 HOH HOH B . 
L 5 HOH 158 658 655 HOH HOH B . 
L 5 HOH 159 659 656 HOH HOH B . 
M 5 HOH 1   601 501 HOH HOH D . 
M 5 HOH 2   602 505 HOH HOH D . 
M 5 HOH 3   603 506 HOH HOH D . 
M 5 HOH 4   604 504 HOH HOH D . 
M 5 HOH 5   605 508 HOH HOH D . 
M 5 HOH 6   606 521 HOH HOH D . 
M 5 HOH 7   607 502 HOH HOH D . 
M 5 HOH 8   608 509 HOH HOH D . 
M 5 HOH 9   609 516 HOH HOH D . 
M 5 HOH 10  610 515 HOH HOH D . 
M 5 HOH 11  611 514 HOH HOH D . 
M 5 HOH 12  612 518 HOH HOH D . 
M 5 HOH 13  613 522 HOH HOH D . 
M 5 HOH 14  614 529 HOH HOH D . 
M 5 HOH 15  615 510 HOH HOH D . 
M 5 HOH 16  616 523 HOH HOH D . 
M 5 HOH 17  617 519 HOH HOH D . 
M 5 HOH 18  618 544 HOH HOH D . 
M 5 HOH 19  619 586 HOH HOH D . 
M 5 HOH 20  620 532 HOH HOH D . 
M 5 HOH 21  621 531 HOH HOH D . 
M 5 HOH 22  622 609 HOH HOH D . 
M 5 HOH 23  623 557 HOH HOH D . 
M 5 HOH 24  624 567 HOH HOH D . 
M 5 HOH 25  625 530 HOH HOH D . 
M 5 HOH 26  626 547 HOH HOH D . 
M 5 HOH 27  627 511 HOH HOH D . 
M 5 HOH 28  628 507 HOH HOH D . 
M 5 HOH 29  629 546 HOH HOH D . 
M 5 HOH 30  630 534 HOH HOH D . 
M 5 HOH 31  631 526 HOH HOH D . 
M 5 HOH 32  632 536 HOH HOH D . 
M 5 HOH 33  633 537 HOH HOH D . 
M 5 HOH 34  634 552 HOH HOH D . 
M 5 HOH 35  635 535 HOH HOH D . 
M 5 HOH 36  636 540 HOH HOH D . 
M 5 HOH 37  637 520 HOH HOH D . 
M 5 HOH 38  638 524 HOH HOH D . 
M 5 HOH 39  639 533 HOH HOH D . 
M 5 HOH 40  640 527 HOH HOH D . 
M 5 HOH 41  641 556 HOH HOH D . 
M 5 HOH 42  642 517 HOH HOH D . 
M 5 HOH 43  643 545 HOH HOH D . 
M 5 HOH 44  644 541 HOH HOH D . 
M 5 HOH 45  645 566 HOH HOH D . 
M 5 HOH 46  646 512 HOH HOH D . 
M 5 HOH 47  647 555 HOH HOH D . 
M 5 HOH 48  648 549 HOH HOH D . 
M 5 HOH 49  649 559 HOH HOH D . 
M 5 HOH 50  650 585 HOH HOH D . 
M 5 HOH 51  651 543 HOH HOH D . 
M 5 HOH 52  652 554 HOH HOH D . 
M 5 HOH 53  653 548 HOH HOH D . 
M 5 HOH 54  654 539 HOH HOH D . 
M 5 HOH 55  655 538 HOH HOH D . 
M 5 HOH 56  656 558 HOH HOH D . 
M 5 HOH 57  657 542 HOH HOH D . 
M 5 HOH 58  658 528 HOH HOH D . 
M 5 HOH 59  659 565 HOH HOH D . 
M 5 HOH 60  660 551 HOH HOH D . 
M 5 HOH 61  661 570 HOH HOH D . 
M 5 HOH 62  662 513 HOH HOH D . 
M 5 HOH 63  663 549 HOH HOH D . 
M 5 HOH 64  664 562 HOH HOH D . 
M 5 HOH 65  665 553 HOH HOH D . 
M 5 HOH 66  666 540 HOH HOH D . 
M 5 HOH 67  667 525 HOH HOH D . 
M 5 HOH 68  668 569 HOH HOH D . 
M 5 HOH 69  669 550 HOH HOH D . 
M 5 HOH 70  670 560 HOH HOH D . 
M 5 HOH 71  671 564 HOH HOH D . 
M 5 HOH 72  672 563 HOH HOH D . 
M 5 HOH 73  673 578 HOH HOH D . 
M 5 HOH 74  674 583 HOH HOH D . 
M 5 HOH 75  675 573 HOH HOH D . 
M 5 HOH 76  676 572 HOH HOH D . 
M 5 HOH 77  677 571 HOH HOH D . 
M 5 HOH 78  678 576 HOH HOH D . 
M 5 HOH 79  679 577 HOH HOH D . 
M 5 HOH 80  680 582 HOH HOH D . 
M 5 HOH 81  681 580 HOH HOH D . 
M 5 HOH 82  682 591 HOH HOH D . 
M 5 HOH 83  683 589 HOH HOH D . 
M 5 HOH 84  684 600 HOH HOH D . 
M 5 HOH 85  685 584 HOH HOH D . 
M 5 HOH 86  686 581 HOH HOH D . 
M 5 HOH 87  687 597 HOH HOH D . 
M 5 HOH 88  688 599 HOH HOH D . 
M 5 HOH 89  689 587 HOH HOH D . 
M 5 HOH 90  690 596 HOH HOH D . 
M 5 HOH 91  691 579 HOH HOH D . 
M 5 HOH 92  692 588 HOH HOH D . 
M 5 HOH 93  693 594 HOH HOH D . 
M 5 HOH 94  694 568 HOH HOH D . 
M 5 HOH 95  695 615 HOH HOH D . 
M 5 HOH 96  696 592 HOH HOH D . 
M 5 HOH 97  697 590 HOH HOH D . 
M 5 HOH 98  698 601 HOH HOH D . 
M 5 HOH 99  699 602 HOH HOH D . 
M 5 HOH 100 700 593 HOH HOH D . 
M 5 HOH 101 701 595 HOH HOH D . 
M 5 HOH 102 702 598 HOH HOH D . 
M 5 HOH 103 703 620 HOH HOH D . 
M 5 HOH 104 704 617 HOH HOH D . 
M 5 HOH 105 705 603 HOH HOH D . 
M 5 HOH 106 706 610 HOH HOH D . 
M 5 HOH 107 707 605 HOH HOH D . 
M 5 HOH 108 708 604 HOH HOH D . 
M 5 HOH 109 709 638 HOH HOH D . 
M 5 HOH 110 710 608 HOH HOH D . 
M 5 HOH 111 711 575 HOH HOH D . 
M 5 HOH 112 712 607 HOH HOH D . 
M 5 HOH 113 713 614 HOH HOH D . 
M 5 HOH 114 714 622 HOH HOH D . 
M 5 HOH 115 715 612 HOH HOH D . 
M 5 HOH 116 716 606 HOH HOH D . 
M 5 HOH 117 717 619 HOH HOH D . 
M 5 HOH 118 718 618 HOH HOH D . 
M 5 HOH 119 719 631 HOH HOH D . 
M 5 HOH 120 720 624 HOH HOH D . 
M 5 HOH 121 721 613 HOH HOH D . 
M 5 HOH 122 722 616 HOH HOH D . 
M 5 HOH 123 723 634 HOH HOH D . 
M 5 HOH 124 724 626 HOH HOH D . 
M 5 HOH 125 725 635 HOH HOH D . 
M 5 HOH 126 726 627 HOH HOH D . 
M 5 HOH 127 727 625 HOH HOH D . 
M 5 HOH 128 728 636 HOH HOH D . 
M 5 HOH 129 729 641 HOH HOH D . 
M 5 HOH 130 730 640 HOH HOH D . 
M 5 HOH 131 731 623 HOH HOH D . 
M 5 HOH 132 732 639 HOH HOH D . 
M 5 HOH 133 733 637 HOH HOH D . 
M 5 HOH 134 734 663 HOH HOH D . 
M 5 HOH 135 735 643 HOH HOH D . 
M 5 HOH 136 736 629 HOH HOH D . 
M 5 HOH 137 737 632 HOH HOH D . 
M 5 HOH 138 738 630 HOH HOH D . 
M 5 HOH 139 739 628 HOH HOH D . 
M 5 HOH 140 740 633 HOH HOH D . 
M 5 HOH 141 741 649 HOH HOH D . 
M 5 HOH 142 742 644 HOH HOH D . 
M 5 HOH 143 743 650 HOH HOH D . 
M 5 HOH 144 744 648 HOH HOH D . 
M 5 HOH 145 745 621 HOH HOH D . 
M 5 HOH 146 746 642 HOH HOH D . 
M 5 HOH 147 747 654 HOH HOH D . 
M 5 HOH 148 748 656 HOH HOH D . 
M 5 HOH 149 749 647 HOH HOH D . 
M 5 HOH 150 750 657 HOH HOH D . 
M 5 HOH 151 751 652 HOH HOH D . 
M 5 HOH 152 752 645 HOH HOH D . 
M 5 HOH 153 753 651 HOH HOH D . 
M 5 HOH 154 754 655 HOH HOH D . 
M 5 HOH 155 755 659 HOH HOH D . 
M 5 HOH 156 756 658 HOH HOH D . 
M 5 HOH 157 757 661 HOH HOH D . 
M 5 HOH 158 758 653 HOH HOH D . 
M 5 HOH 159 759 664 HOH HOH D . 
M 5 HOH 160 760 646 HOH HOH D . 
M 5 HOH 161 761 660 HOH HOH D . 
M 5 HOH 162 762 662 HOH HOH D . 
M 5 HOH 163 763 667 HOH HOH D . 
M 5 HOH 164 764 666 HOH HOH D . 
M 5 HOH 165 765 665 HOH HOH D . 
M 5 HOH 166 766 668 HOH HOH D . 
M 5 HOH 167 767 650 HOH HOH D . 
M 5 HOH 168 768 669 HOH HOH D . 
M 5 HOH 169 769 670 HOH HOH D . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement        ? ? ? ? ? ? ? ? ? ? ? REFMAC      ? ? ? 5.8.0419 1 
? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.27     2 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? CrysalisPro ? ? ? .        3 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? Aimless     ? ? ? .        4 
? phasing           ? ? ? ? ? ? ? ? ? ? ? MOLREP      ? ? ? .        5 
# 
_cell.angle_alpha                  106.66 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.11 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  93.46 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8ZFV 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     43.539 
_cell.length_a_esd                 ? 
_cell.length_b                     46.643 
_cell.length_b_esd                 ? 
_cell.length_c                     69.021 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         8ZFV 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                1 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 1' 
_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                   8ZFV 
_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             2.67 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          53.85 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '30% PEG4000, 0.2 M Lithium sulfate, 50 mM Tris pH 8.0' 
_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                         'RIGAKU HyPix-6000HE' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-08-24 
_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   1.54184 
_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                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU MICROMAX-007 HF' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.54184 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8ZFV 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.00 
_reflns.d_resolution_low                               26.58 
_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                                     34801 
_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                           99.2 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                4.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          17.8 
_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                                   0.997 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_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                                    2.0 
_reflns_shell.d_res_low                                     2.05 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           3.8 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             2572 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.889 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -1.28 
_refine.aniso_B[1][2]                            -0.03 
_refine.aniso_B[1][3]                            -0.12 
_refine.aniso_B[2][2]                            1.07 
_refine.aniso_B[2][3]                            0.34 
_refine.aniso_B[3][3]                            -0.00 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               16.983 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.960 
_refine.correlation_coeff_Fo_to_Fc_free          0.921 
_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                                 8ZFV 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.00 
_refine.ls_d_res_low                             26.58 
_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                     33047 
_refine.ls_number_reflns_R_free                  1752 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.18 
_refine.ls_percent_reflns_R_free                 5.0 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.15019 
_refine.ls_R_factor_R_free                       0.20494 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.14731 
_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                      6YUN 
_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                       0.161 
_refine.pdbx_overall_ESU_R_Free                  0.153 
_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                             8.392 
_refine.overall_SU_ML                            0.104 
_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                       2.00 
_refine_hist.d_res_low                        26.58 
_refine_hist.number_atoms_solvent             669 
_refine_hist.number_atoms_total               4337 
_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        3548 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         120 
_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' ? 0.008  0.012  3856 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  3545 ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.844  1.838  5230 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 0.662  1.797  8169 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 7.341  5.000  459  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 21.586 5.000  55   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 14.035 10.000 636  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.551  0.200  522  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.008  0.020  4664 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  953  ? 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' ? 1.295  1.321  1821 ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 1.290  1.321  1821 ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 2.086  2.362  2285 ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 2.086  2.363  2286 ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 2.365  1.769  2035 ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 2.365  1.769  2036 ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 3.835  3.093  2940 ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 6.470  21.92  4866 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 6.470  21.92  4867 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? 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                       2.000 
_refine_ls_shell.d_res_low                        2.052 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             119 
_refine_ls_shell.number_reflns_R_work             2444 
_refine_ls_shell.percent_reflns_obs               98.50 
_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                  0.194 
_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                  0.229 
# 
_struct.entry_id                     8ZFV 
_struct.title                        
'Crystal Structure of C-terminal domain of nucleocapsid protein from SARS-CoV-2 in complex with ceftriaxone' 
_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        8ZFV 
_struct_keywords.text            'SARS-CoV-2, Nucleocapsid protein, RNA binding C-terminal domain, drugs, VIRAL PROTEIN' 
_struct_keywords.pdbx_keywords   'VIRAL PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 1 ? 
C N N 1 ? 
D N N 1 ? 
E N N 2 ? 
F N N 3 ? 
G N N 3 ? 
H N N 4 ? 
I N N 3 ? 
J N N 5 ? 
K N N 5 ? 
L N N 5 ? 
M N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    NCAP_SARS2 
_struct_ref.pdbx_db_accession          P0DTC9 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;TKKSAAEASKKPRQKRTATKAYNVTQAFGRRGPEQTQGNFGDQELIRQGTDYKHWPQIAQFAPSASAFFGMSRIGMEVTP
SGTWLTYTGAIKLDDKDPNFKDQVILLNKHIDAYKTFPPTEPKKDKKKKADETQALPQRQKKQQTVTLLPAADLDDFSKQ
LQQSMSSADSTQA
;
_struct_ref.pdbx_align_begin           247 
# 
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 8ZFV A 3 ? 175 ? P0DTC9 247 ? 419 ? 247 419 
2 1 8ZFV C 3 ? 175 ? P0DTC9 247 ? 419 ? 247 419 
3 1 8ZFV B 3 ? 175 ? P0DTC9 247 ? 419 ? 247 419 
4 1 8ZFV D 3 ? 175 ? P0DTC9 247 ? 419 ? 247 419 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 8ZFV MET A 1 ? UNP P0DTC9 ? ? 'initiating methionine' 245 1 
1 8ZFV GLY A 2 ? UNP P0DTC9 ? ? 'expression tag'        246 2 
2 8ZFV MET C 1 ? UNP P0DTC9 ? ? 'initiating methionine' 245 3 
2 8ZFV GLY C 2 ? UNP P0DTC9 ? ? 'expression tag'        246 4 
3 8ZFV MET B 1 ? UNP P0DTC9 ? ? 'initiating methionine' 245 5 
3 8ZFV GLY B 2 ? UNP P0DTC9 ? ? 'expression tag'        246 6 
4 8ZFV MET D 1 ? UNP P0DTC9 ? ? 'initiating methionine' 245 7 
4 8ZFV GLY D 2 ? UNP P0DTC9 ? ? 'expression tag'        246 8 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_and_software_defined_assembly PISA dimeric 2 
2 author_and_software_defined_assembly PISA dimeric 2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 5510  ? 
1 MORE         -32   ? 
1 'SSA (A^2)'  12920 ? 
2 'ABSA (A^2)' 5330  ? 
2 MORE         -28   ? 
2 'SSA (A^2)'  11920 ? 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,C,E,F,G,J,L 
2 1 B,D,H,I,K,M   
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1  AA1 ALA A 8   ? LYS A 12  ? ALA A 252 LYS A 256 5 ? 5  
HELX_P HELX_P2  AA2 PRO A 14  ? ARG A 18  ? PRO A 258 ARG A 262 5 ? 5  
HELX_P HELX_P3  AA3 ASN A 25  ? GLY A 31  ? ASN A 269 GLY A 275 1 ? 7  
HELX_P HELX_P4  AA4 ASP A 44  ? GLY A 51  ? ASP A 288 GLY A 295 1 ? 8  
HELX_P HELX_P5  AA5 THR A 52  ? TYR A 54  ? THR A 296 TYR A 298 5 ? 3  
HELX_P HELX_P6  AA6 HIS A 56  ? GLN A 62  ? HIS A 300 GLN A 306 1 ? 7  
HELX_P HELX_P7  AA7 SER A 66  ? SER A 74  ? SER A 310 SER A 318 1 ? 9  
HELX_P HELX_P8  AA8 ASN A 101 ? ILE A 113 ? ASN A 345 ILE A 357 1 ? 13 
HELX_P HELX_P9  AA9 ASP A 114 ? PHE A 119 ? ASP A 358 PHE A 363 5 ? 6  
HELX_P HELX_P10 AB1 PRO B 14  ? ARG B 18  ? PRO C 258 ARG C 262 5 ? 5  
HELX_P HELX_P11 AB2 ASN B 25  ? GLY B 31  ? ASN C 269 GLY C 275 1 ? 7  
HELX_P HELX_P12 AB3 ASP B 44  ? GLY B 51  ? ASP C 288 GLY C 295 1 ? 8  
HELX_P HELX_P13 AB4 THR B 52  ? TYR B 54  ? THR C 296 TYR C 298 5 ? 3  
HELX_P HELX_P14 AB5 HIS B 56  ? GLN B 62  ? HIS C 300 GLN C 306 1 ? 7  
HELX_P HELX_P15 AB6 SER B 66  ? SER B 74  ? SER C 310 SER C 318 1 ? 9  
HELX_P HELX_P16 AB7 ASN B 101 ? ILE B 113 ? ASN C 345 ILE C 357 1 ? 13 
HELX_P HELX_P17 AB8 ASP B 114 ? PHE B 119 ? ASP C 358 PHE C 363 5 ? 6  
HELX_P HELX_P18 AB9 GLU C 9   ? LYS C 13  ? GLU B 253 LYS B 257 5 ? 5  
HELX_P HELX_P19 AC1 PRO C 14  ? ARG C 18  ? PRO B 258 ARG B 262 5 ? 5  
HELX_P HELX_P20 AC2 ASN C 25  ? GLY C 31  ? ASN B 269 GLY B 275 1 ? 7  
HELX_P HELX_P21 AC3 ASP C 44  ? GLY C 51  ? ASP B 288 GLY B 295 1 ? 8  
HELX_P HELX_P22 AC4 THR C 52  ? TYR C 54  ? THR B 296 TYR B 298 5 ? 3  
HELX_P HELX_P23 AC5 HIS C 56  ? GLN C 62  ? HIS B 300 GLN B 306 1 ? 7  
HELX_P HELX_P24 AC6 SER C 66  ? SER C 74  ? SER B 310 SER B 318 1 ? 9  
HELX_P HELX_P25 AC7 ASN C 101 ? ILE C 113 ? ASN B 345 ILE B 357 1 ? 13 
HELX_P HELX_P26 AC8 ASP C 114 ? PHE C 119 ? ASP B 358 PHE B 363 5 ? 6  
HELX_P HELX_P27 AC9 PRO D 14  ? ARG D 18  ? PRO D 258 ARG D 262 5 ? 5  
HELX_P HELX_P28 AD1 ASN D 25  ? GLY D 31  ? ASN D 269 GLY D 275 1 ? 7  
HELX_P HELX_P29 AD2 ASP D 44  ? GLY D 51  ? ASP D 288 GLY D 295 1 ? 8  
HELX_P HELX_P30 AD3 THR D 52  ? TYR D 54  ? THR D 296 TYR D 298 5 ? 3  
HELX_P HELX_P31 AD4 HIS D 56  ? GLN D 62  ? HIS D 300 GLN D 306 1 ? 7  
HELX_P HELX_P32 AD5 SER D 66  ? SER D 74  ? SER D 310 SER D 318 1 ? 9  
HELX_P HELX_P33 AD6 ASN D 101 ? ILE D 113 ? ASN D 345 ILE D 357 1 ? 13 
HELX_P HELX_P34 AD7 ASP D 114 ? PHE D 119 ? ASP D 358 PHE D 363 5 ? 6  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 4 ? 
AA2 ? 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 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 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 ARG A 75 ? THR A 81 ? ARG A 319 THR A 325 
AA1 2 GLY A 84 ? LYS A 94 ? GLY A 328 LYS A 338 
AA1 3 GLY C 84 ? LYS C 94 ? GLY B 328 LYS B 338 
AA1 4 ARG C 75 ? THR C 81 ? ARG B 319 THR B 325 
AA2 1 ARG B 75 ? THR B 81 ? ARG C 319 THR C 325 
AA2 2 GLY B 84 ? LYS B 94 ? GLY C 328 LYS C 338 
AA2 3 GLY D 84 ? LYS D 94 ? GLY D 328 LYS D 338 
AA2 4 ARG D 75 ? THR D 81 ? ARG D 319 THR D 325 
# 
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 THR A 81 ? N THR A 325 O GLY A 84 ? O GLY A 328 
AA1 2 3 N LEU A 87 ? N LEU A 331 O ILE C 93 ? O ILE B 337 
AA1 3 4 O GLY C 84 ? O GLY B 328 N THR C 81 ? N THR B 325 
AA2 1 2 N ARG B 75 ? N ARG C 319 O THR B 90 ? O THR C 334 
AA2 2 3 N LEU B 87 ? N LEU C 331 O ILE D 93 ? O ILE D 337 
AA2 3 4 O THR D 90 ? O THR D 334 N ARG D 75 ? N ARG D 319 
# 
_pdbx_entry_details.entry_id                   8ZFV 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    TYR 
_pdbx_validate_torsion.auth_asym_id    C 
_pdbx_validate_torsion.auth_seq_id     268 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -158.89 
_pdbx_validate_torsion.psi             89.04 
# 
loop_
_pdbx_validate_chiral.id 
_pdbx_validate_chiral.PDB_model_num 
_pdbx_validate_chiral.auth_atom_id 
_pdbx_validate_chiral.label_alt_id 
_pdbx_validate_chiral.auth_asym_id 
_pdbx_validate_chiral.auth_comp_id 
_pdbx_validate_chiral.auth_seq_id 
_pdbx_validate_chiral.PDB_ins_code 
_pdbx_validate_chiral.details 
_pdbx_validate_chiral.omega 
1 1 C11 ? A 9F2 502 ? 'WRONG HAND' . 
2 1 C11 ? A 9F2 503 ? 'WRONG HAND' . 
3 1 C11 ? D 9F2 502 ? 'WRONG HAND' . 
# 
loop_
_pdbx_validate_planes.id 
_pdbx_validate_planes.PDB_model_num 
_pdbx_validate_planes.auth_comp_id 
_pdbx_validate_planes.auth_asym_id 
_pdbx_validate_planes.auth_seq_id 
_pdbx_validate_planes.PDB_ins_code 
_pdbx_validate_planes.label_alt_id 
_pdbx_validate_planes.rmsd 
_pdbx_validate_planes.type 
1 1 ARG A 262 ? ? 0.130 'SIDE CHAIN' 
2 1 ARG B 259 ? ? 0.233 'SIDE CHAIN' 
3 1 ARG B 276 ? ? 0.221 'SIDE CHAIN' 
4 1 ARG D 276 ? ? 0.206 'SIDE CHAIN' 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined 16.8053  -9.7322  6.5349   0.0204 ? -0.0027 ? 0.0010 ? 0.0020 ? -0.0017 ? 0.0222 ? 0.4696 ? 
-0.2084 ? 0.0152  ? 0.1381 ? -0.0616 ? 0.3189 ? -0.0426 ? -0.0160 ? -0.0069 ? 0.0011  ? 0.0123  ? -0.0195 ? -0.0116 ? 0.0064  ? 
0.0303 ? 
2 'X-RAY DIFFRACTION' ? refined -5.1667  9.3060   -8.1763  0.0077 ? 0.0057  ? 0.0054 ? 0.0197 ? 0.0014  ? 0.0163 ? 0.7079 ? 0.1263 
? -0.0652 ? 0.2569 ? -0.0686 ? 0.0396 ? -0.0550 ? -0.0584 ? 0.0239  ? -0.0206 ? 0.0362  ? -0.0163 ? 0.0147  ? 0.0044  ? 0.0188 ? 
3 'X-RAY DIFFRACTION' ? refined 4.9242   -16.8943 18.9813  0.0167 ? 0.0078  ? 0.0042 ? 0.0298 ? 0.0144  ? 0.0240 ? 0.5991 ? 0.1821 
? -0.1295 ? 0.0847 ? 0.0001  ? 0.4942 ? -0.0325 ? -0.0944 ? -0.0945 ? -0.0262 ? -0.0442 ? -0.0305 ? -0.0156 ? -0.0230 ? 0.0767 ? 
4 'X-RAY DIFFRACTION' ? refined -16.8327 17.4623  -18.3235 0.0083 ? -0.0043 ? 0.0033 ? 0.0106 ? 0.0112  ? 0.0279 ? 0.4869 ? 
-0.2606 ? -0.0738 ? 0.2389 ? 0.0386  ? 0.4341 ? -0.0178 ? 0.0675  ? 0.0665  ? 0.0227  ? -0.0357 ? -0.0196 ? -0.0134 ? 0.0105  ? 
0.0534 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 ? ? A 251 ? ? ? A 794 ? ? ? 
2 'X-RAY DIFFRACTION' 2 ? ? C 257 ? ? ? C 652 ? ? ? 
3 'X-RAY DIFFRACTION' 3 ? ? B 253 ? ? ? B 656 ? ? ? 
4 'X-RAY DIFFRACTION' 4 ? ? D 254 ? ? ? D 771 ? ? ? 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1   1 Y 1 A MET 245 ? A MET 1   
2   1 Y 1 A GLY 246 ? A GLY 2   
3   1 Y 1 A THR 247 ? A THR 3   
4   1 Y 1 A LYS 248 ? A LYS 4   
5   1 Y 1 A LYS 249 ? A LYS 5   
6   1 Y 1 A SER 250 ? A SER 6   
7   1 Y 1 A PRO 365 ? A PRO 121 
8   1 Y 1 A THR 366 ? A THR 122 
9   1 Y 1 A GLU 367 ? A GLU 123 
10  1 Y 1 A PRO 368 ? A PRO 124 
11  1 Y 1 A LYS 369 ? A LYS 125 
12  1 Y 1 A LYS 370 ? A LYS 126 
13  1 Y 1 A ASP 371 ? A ASP 127 
14  1 Y 1 A LYS 372 ? A LYS 128 
15  1 Y 1 A LYS 373 ? A LYS 129 
16  1 Y 1 A LYS 374 ? A LYS 130 
17  1 Y 1 A LYS 375 ? A LYS 131 
18  1 Y 1 A ALA 376 ? A ALA 132 
19  1 Y 1 A ASP 377 ? A ASP 133 
20  1 Y 1 A GLU 378 ? A GLU 134 
21  1 Y 1 A THR 379 ? A THR 135 
22  1 Y 1 A GLN 380 ? A GLN 136 
23  1 Y 1 A ALA 381 ? A ALA 137 
24  1 Y 1 A LEU 382 ? A LEU 138 
25  1 Y 1 A PRO 383 ? A PRO 139 
26  1 Y 1 A GLN 384 ? A GLN 140 
27  1 Y 1 A ARG 385 ? A ARG 141 
28  1 Y 1 A GLN 386 ? A GLN 142 
29  1 Y 1 A LYS 387 ? A LYS 143 
30  1 Y 1 A LYS 388 ? A LYS 144 
31  1 Y 1 A GLN 389 ? A GLN 145 
32  1 Y 1 A GLN 390 ? A GLN 146 
33  1 Y 1 A THR 391 ? A THR 147 
34  1 Y 1 A VAL 392 ? A VAL 148 
35  1 Y 1 A THR 393 ? A THR 149 
36  1 Y 1 A LEU 394 ? A LEU 150 
37  1 Y 1 A LEU 395 ? A LEU 151 
38  1 Y 1 A PRO 396 ? A PRO 152 
39  1 Y 1 A ALA 397 ? A ALA 153 
40  1 Y 1 A ALA 398 ? A ALA 154 
41  1 Y 1 A ASP 399 ? A ASP 155 
42  1 Y 1 A LEU 400 ? A LEU 156 
43  1 Y 1 A ASP 401 ? A ASP 157 
44  1 Y 1 A ASP 402 ? A ASP 158 
45  1 Y 1 A PHE 403 ? A PHE 159 
46  1 Y 1 A SER 404 ? A SER 160 
47  1 Y 1 A LYS 405 ? A LYS 161 
48  1 Y 1 A GLN 406 ? A GLN 162 
49  1 Y 1 A LEU 407 ? A LEU 163 
50  1 Y 1 A GLN 408 ? A GLN 164 
51  1 Y 1 A GLN 409 ? A GLN 165 
52  1 Y 1 A SER 410 ? A SER 166 
53  1 Y 1 A MET 411 ? A MET 167 
54  1 Y 1 A SER 412 ? A SER 168 
55  1 Y 1 A SER 413 ? A SER 169 
56  1 Y 1 A ALA 414 ? A ALA 170 
57  1 Y 1 A ASP 415 ? A ASP 171 
58  1 Y 1 A SER 416 ? A SER 172 
59  1 Y 1 A THR 417 ? A THR 173 
60  1 Y 1 A GLN 418 ? A GLN 174 
61  1 Y 1 A ALA 419 ? A ALA 175 
62  1 Y 1 C MET 245 ? B MET 1   
63  1 Y 1 C GLY 246 ? B GLY 2   
64  1 Y 1 C THR 247 ? B THR 3   
65  1 Y 1 C LYS 248 ? B LYS 4   
66  1 Y 1 C LYS 249 ? B LYS 5   
67  1 Y 1 C SER 250 ? B SER 6   
68  1 Y 1 C ALA 251 ? B ALA 7   
69  1 Y 1 C ALA 252 ? B ALA 8   
70  1 Y 1 C GLU 253 ? B GLU 9   
71  1 Y 1 C ALA 254 ? B ALA 10  
72  1 Y 1 C SER 255 ? B SER 11  
73  1 Y 1 C LYS 256 ? B LYS 12  
74  1 Y 1 C PRO 365 ? B PRO 121 
75  1 Y 1 C THR 366 ? B THR 122 
76  1 Y 1 C GLU 367 ? B GLU 123 
77  1 Y 1 C PRO 368 ? B PRO 124 
78  1 Y 1 C LYS 369 ? B LYS 125 
79  1 Y 1 C LYS 370 ? B LYS 126 
80  1 Y 1 C ASP 371 ? B ASP 127 
81  1 Y 1 C LYS 372 ? B LYS 128 
82  1 Y 1 C LYS 373 ? B LYS 129 
83  1 Y 1 C LYS 374 ? B LYS 130 
84  1 Y 1 C LYS 375 ? B LYS 131 
85  1 Y 1 C ALA 376 ? B ALA 132 
86  1 Y 1 C ASP 377 ? B ASP 133 
87  1 Y 1 C GLU 378 ? B GLU 134 
88  1 Y 1 C THR 379 ? B THR 135 
89  1 Y 1 C GLN 380 ? B GLN 136 
90  1 Y 1 C ALA 381 ? B ALA 137 
91  1 Y 1 C LEU 382 ? B LEU 138 
92  1 Y 1 C PRO 383 ? B PRO 139 
93  1 Y 1 C GLN 384 ? B GLN 140 
94  1 Y 1 C ARG 385 ? B ARG 141 
95  1 Y 1 C GLN 386 ? B GLN 142 
96  1 Y 1 C LYS 387 ? B LYS 143 
97  1 Y 1 C LYS 388 ? B LYS 144 
98  1 Y 1 C GLN 389 ? B GLN 145 
99  1 Y 1 C GLN 390 ? B GLN 146 
100 1 Y 1 C THR 391 ? B THR 147 
101 1 Y 1 C VAL 392 ? B VAL 148 
102 1 Y 1 C THR 393 ? B THR 149 
103 1 Y 1 C LEU 394 ? B LEU 150 
104 1 Y 1 C LEU 395 ? B LEU 151 
105 1 Y 1 C PRO 396 ? B PRO 152 
106 1 Y 1 C ALA 397 ? B ALA 153 
107 1 Y 1 C ALA 398 ? B ALA 154 
108 1 Y 1 C ASP 399 ? B ASP 155 
109 1 Y 1 C LEU 400 ? B LEU 156 
110 1 Y 1 C ASP 401 ? B ASP 157 
111 1 Y 1 C ASP 402 ? B ASP 158 
112 1 Y 1 C PHE 403 ? B PHE 159 
113 1 Y 1 C SER 404 ? B SER 160 
114 1 Y 1 C LYS 405 ? B LYS 161 
115 1 Y 1 C GLN 406 ? B GLN 162 
116 1 Y 1 C LEU 407 ? B LEU 163 
117 1 Y 1 C GLN 408 ? B GLN 164 
118 1 Y 1 C GLN 409 ? B GLN 165 
119 1 Y 1 C SER 410 ? B SER 166 
120 1 Y 1 C MET 411 ? B MET 167 
121 1 Y 1 C SER 412 ? B SER 168 
122 1 Y 1 C SER 413 ? B SER 169 
123 1 Y 1 C ALA 414 ? B ALA 170 
124 1 Y 1 C ASP 415 ? B ASP 171 
125 1 Y 1 C SER 416 ? B SER 172 
126 1 Y 1 C THR 417 ? B THR 173 
127 1 Y 1 C GLN 418 ? B GLN 174 
128 1 Y 1 C ALA 419 ? B ALA 175 
129 1 Y 1 B MET 245 ? C MET 1   
130 1 Y 1 B GLY 246 ? C GLY 2   
131 1 Y 1 B THR 247 ? C THR 3   
132 1 Y 1 B LYS 248 ? C LYS 4   
133 1 Y 1 B LYS 249 ? C LYS 5   
134 1 Y 1 B SER 250 ? C SER 6   
135 1 Y 1 B ALA 251 ? C ALA 7   
136 1 Y 1 B ALA 252 ? C ALA 8   
137 1 Y 1 B PRO 365 ? C PRO 121 
138 1 Y 1 B THR 366 ? C THR 122 
139 1 Y 1 B GLU 367 ? C GLU 123 
140 1 Y 1 B PRO 368 ? C PRO 124 
141 1 Y 1 B LYS 369 ? C LYS 125 
142 1 Y 1 B LYS 370 ? C LYS 126 
143 1 Y 1 B ASP 371 ? C ASP 127 
144 1 Y 1 B LYS 372 ? C LYS 128 
145 1 Y 1 B LYS 373 ? C LYS 129 
146 1 Y 1 B LYS 374 ? C LYS 130 
147 1 Y 1 B LYS 375 ? C LYS 131 
148 1 Y 1 B ALA 376 ? C ALA 132 
149 1 Y 1 B ASP 377 ? C ASP 133 
150 1 Y 1 B GLU 378 ? C GLU 134 
151 1 Y 1 B THR 379 ? C THR 135 
152 1 Y 1 B GLN 380 ? C GLN 136 
153 1 Y 1 B ALA 381 ? C ALA 137 
154 1 Y 1 B LEU 382 ? C LEU 138 
155 1 Y 1 B PRO 383 ? C PRO 139 
156 1 Y 1 B GLN 384 ? C GLN 140 
157 1 Y 1 B ARG 385 ? C ARG 141 
158 1 Y 1 B GLN 386 ? C GLN 142 
159 1 Y 1 B LYS 387 ? C LYS 143 
160 1 Y 1 B LYS 388 ? C LYS 144 
161 1 Y 1 B GLN 389 ? C GLN 145 
162 1 Y 1 B GLN 390 ? C GLN 146 
163 1 Y 1 B THR 391 ? C THR 147 
164 1 Y 1 B VAL 392 ? C VAL 148 
165 1 Y 1 B THR 393 ? C THR 149 
166 1 Y 1 B LEU 394 ? C LEU 150 
167 1 Y 1 B LEU 395 ? C LEU 151 
168 1 Y 1 B PRO 396 ? C PRO 152 
169 1 Y 1 B ALA 397 ? C ALA 153 
170 1 Y 1 B ALA 398 ? C ALA 154 
171 1 Y 1 B ASP 399 ? C ASP 155 
172 1 Y 1 B LEU 400 ? C LEU 156 
173 1 Y 1 B ASP 401 ? C ASP 157 
174 1 Y 1 B ASP 402 ? C ASP 158 
175 1 Y 1 B PHE 403 ? C PHE 159 
176 1 Y 1 B SER 404 ? C SER 160 
177 1 Y 1 B LYS 405 ? C LYS 161 
178 1 Y 1 B GLN 406 ? C GLN 162 
179 1 Y 1 B LEU 407 ? C LEU 163 
180 1 Y 1 B GLN 408 ? C GLN 164 
181 1 Y 1 B GLN 409 ? C GLN 165 
182 1 Y 1 B SER 410 ? C SER 166 
183 1 Y 1 B MET 411 ? C MET 167 
184 1 Y 1 B SER 412 ? C SER 168 
185 1 Y 1 B SER 413 ? C SER 169 
186 1 Y 1 B ALA 414 ? C ALA 170 
187 1 Y 1 B ASP 415 ? C ASP 171 
188 1 Y 1 B SER 416 ? C SER 172 
189 1 Y 1 B THR 417 ? C THR 173 
190 1 Y 1 B GLN 418 ? C GLN 174 
191 1 Y 1 B ALA 419 ? C ALA 175 
192 1 Y 1 D MET 245 ? D MET 1   
193 1 Y 1 D GLY 246 ? D GLY 2   
194 1 Y 1 D THR 247 ? D THR 3   
195 1 Y 1 D LYS 248 ? D LYS 4   
196 1 Y 1 D LYS 249 ? D LYS 5   
197 1 Y 1 D SER 250 ? D SER 6   
198 1 Y 1 D ALA 251 ? D ALA 7   
199 1 Y 1 D ALA 252 ? D ALA 8   
200 1 Y 1 D GLU 253 ? D GLU 9   
201 1 Y 1 D PRO 365 ? D PRO 121 
202 1 Y 1 D THR 366 ? D THR 122 
203 1 Y 1 D GLU 367 ? D GLU 123 
204 1 Y 1 D PRO 368 ? D PRO 124 
205 1 Y 1 D LYS 369 ? D LYS 125 
206 1 Y 1 D LYS 370 ? D LYS 126 
207 1 Y 1 D ASP 371 ? D ASP 127 
208 1 Y 1 D LYS 372 ? D LYS 128 
209 1 Y 1 D LYS 373 ? D LYS 129 
210 1 Y 1 D LYS 374 ? D LYS 130 
211 1 Y 1 D LYS 375 ? D LYS 131 
212 1 Y 1 D ALA 376 ? D ALA 132 
213 1 Y 1 D ASP 377 ? D ASP 133 
214 1 Y 1 D GLU 378 ? D GLU 134 
215 1 Y 1 D THR 379 ? D THR 135 
216 1 Y 1 D GLN 380 ? D GLN 136 
217 1 Y 1 D ALA 381 ? D ALA 137 
218 1 Y 1 D LEU 382 ? D LEU 138 
219 1 Y 1 D PRO 383 ? D PRO 139 
220 1 Y 1 D GLN 384 ? D GLN 140 
221 1 Y 1 D ARG 385 ? D ARG 141 
222 1 Y 1 D GLN 386 ? D GLN 142 
223 1 Y 1 D LYS 387 ? D LYS 143 
224 1 Y 1 D LYS 388 ? D LYS 144 
225 1 Y 1 D GLN 389 ? D GLN 145 
226 1 Y 1 D GLN 390 ? D GLN 146 
227 1 Y 1 D THR 391 ? D THR 147 
228 1 Y 1 D VAL 392 ? D VAL 148 
229 1 Y 1 D THR 393 ? D THR 149 
230 1 Y 1 D LEU 394 ? D LEU 150 
231 1 Y 1 D LEU 395 ? D LEU 151 
232 1 Y 1 D PRO 396 ? D PRO 152 
233 1 Y 1 D ALA 397 ? D ALA 153 
234 1 Y 1 D ALA 398 ? D ALA 154 
235 1 Y 1 D ASP 399 ? D ASP 155 
236 1 Y 1 D LEU 400 ? D LEU 156 
237 1 Y 1 D ASP 401 ? D ASP 157 
238 1 Y 1 D ASP 402 ? D ASP 158 
239 1 Y 1 D PHE 403 ? D PHE 159 
240 1 Y 1 D SER 404 ? D SER 160 
241 1 Y 1 D LYS 405 ? D LYS 161 
242 1 Y 1 D GLN 406 ? D GLN 162 
243 1 Y 1 D LEU 407 ? D LEU 163 
244 1 Y 1 D GLN 408 ? D GLN 164 
245 1 Y 1 D GLN 409 ? D GLN 165 
246 1 Y 1 D SER 410 ? D SER 166 
247 1 Y 1 D MET 411 ? D MET 167 
248 1 Y 1 D SER 412 ? D SER 168 
249 1 Y 1 D SER 413 ? D SER 169 
250 1 Y 1 D ALA 414 ? D ALA 170 
251 1 Y 1 D ASP 415 ? D ASP 171 
252 1 Y 1 D SER 416 ? D SER 172 
253 1 Y 1 D THR 417 ? D THR 173 
254 1 Y 1 D GLN 418 ? D GLN 174 
255 1 Y 1 D ALA 419 ? D ALA 175 
# 
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 
9F2 C1   C N R 1   
9F2 S1   S N N 2   
9F2 C2   C N N 3   
9F2 C3   C N N 4   
9F2 C4   C N N 5   
9F2 S2   S N N 6   
9F2 C5   C N N 7   
9F2 N1   N N N 8   
9F2 C6   C N N 9   
9F2 O1   O N N 10  
9F2 C7   C N N 11  
9F2 O2   O N N 12  
9F2 N2   N N N 13  
9F2 N3   N N N 14  
9F2 C8   C N N 15  
9F2 C9   C N N 16  
9F2 N4   N N N 17  
9F2 C10  C N N 18  
9F2 O3   O N N 19  
9F2 C11  C N R 20  
9F2 N5   N N N 21  
9F2 C12  C N N 22  
9F2 O4   O N N 23  
9F2 C13  C N N 24  
9F2 N6   N N N 25  
9F2 O5   O N N 26  
9F2 C14  C N N 27  
9F2 C15  C Y N 28  
9F2 C16  C Y N 29  
9F2 S3   S Y N 30  
9F2 C17  C Y N 31  
9F2 N7   N N N 32  
9F2 N8   N Y N 33  
9F2 C18  C N N 34  
9F2 O6   O N N 35  
9F2 O7   O N N 36  
9F2 H1   H N N 37  
9F2 H2   H N N 38  
9F2 H3   H N N 39  
9F2 H5   H N N 40  
9F2 H6   H N N 41  
9F2 H7   H N N 42  
9F2 H8   H N N 43  
9F2 H9   H N N 44  
9F2 H10  H N N 45  
9F2 H12  H N N 46  
9F2 H13  H N N 47  
9F2 H14  H N N 48  
9F2 H15  H N N 49  
9F2 H16  H N N 50  
9F2 H18  H N N 51  
9F2 H21  H N N 52  
9F2 H22  H N N 53  
9F2 H26  H N N 54  
ALA N    N N N 55  
ALA CA   C N S 56  
ALA C    C N N 57  
ALA O    O N N 58  
ALA CB   C N N 59  
ALA OXT  O N N 60  
ALA H    H N N 61  
ALA H2   H N N 62  
ALA HA   H N N 63  
ALA HB1  H N N 64  
ALA HB2  H N N 65  
ALA HB3  H N N 66  
ALA HXT  H N N 67  
ARG N    N N N 68  
ARG CA   C N S 69  
ARG C    C N N 70  
ARG O    O N N 71  
ARG CB   C N N 72  
ARG CG   C N N 73  
ARG CD   C N N 74  
ARG NE   N N N 75  
ARG CZ   C N N 76  
ARG NH1  N N N 77  
ARG NH2  N N N 78  
ARG OXT  O N N 79  
ARG H    H N N 80  
ARG H2   H N N 81  
ARG HA   H N N 82  
ARG HB2  H N N 83  
ARG HB3  H N N 84  
ARG HG2  H N N 85  
ARG HG3  H N N 86  
ARG HD2  H N N 87  
ARG HD3  H N N 88  
ARG HE   H N N 89  
ARG HH11 H N N 90  
ARG HH12 H N N 91  
ARG HH21 H N N 92  
ARG HH22 H N N 93  
ARG HXT  H N N 94  
ASN N    N N N 95  
ASN CA   C N S 96  
ASN C    C N N 97  
ASN O    O N N 98  
ASN CB   C N N 99  
ASN CG   C N N 100 
ASN OD1  O N N 101 
ASN ND2  N N N 102 
ASN OXT  O N N 103 
ASN H    H N N 104 
ASN H2   H N N 105 
ASN HA   H N N 106 
ASN HB2  H N N 107 
ASN HB3  H N N 108 
ASN HD21 H N N 109 
ASN HD22 H N N 110 
ASN HXT  H N N 111 
ASP N    N N N 112 
ASP CA   C N S 113 
ASP C    C N N 114 
ASP O    O N N 115 
ASP CB   C N N 116 
ASP CG   C N N 117 
ASP OD1  O N N 118 
ASP OD2  O N N 119 
ASP OXT  O N N 120 
ASP H    H N N 121 
ASP H2   H N N 122 
ASP HA   H N N 123 
ASP HB2  H N N 124 
ASP HB3  H N N 125 
ASP HD2  H N N 126 
ASP HXT  H N N 127 
GLN N    N N N 128 
GLN CA   C N S 129 
GLN C    C N N 130 
GLN O    O N N 131 
GLN CB   C N N 132 
GLN CG   C N N 133 
GLN CD   C N N 134 
GLN OE1  O N N 135 
GLN NE2  N N N 136 
GLN OXT  O N N 137 
GLN H    H N N 138 
GLN H2   H N N 139 
GLN HA   H N N 140 
GLN HB2  H N N 141 
GLN HB3  H N N 142 
GLN HG2  H N N 143 
GLN HG3  H N N 144 
GLN HE21 H N N 145 
GLN HE22 H N N 146 
GLN HXT  H N N 147 
GLU N    N N N 148 
GLU CA   C N S 149 
GLU C    C N N 150 
GLU O    O N N 151 
GLU CB   C N N 152 
GLU CG   C N N 153 
GLU CD   C N N 154 
GLU OE1  O N N 155 
GLU OE2  O N N 156 
GLU OXT  O N N 157 
GLU H    H N N 158 
GLU H2   H N N 159 
GLU HA   H N N 160 
GLU HB2  H N N 161 
GLU HB3  H N N 162 
GLU HG2  H N N 163 
GLU HG3  H N N 164 
GLU HE2  H N N 165 
GLU HXT  H N N 166 
GLY N    N N N 167 
GLY CA   C N N 168 
GLY C    C N N 169 
GLY O    O N N 170 
GLY OXT  O N N 171 
GLY H    H N N 172 
GLY H2   H N N 173 
GLY HA2  H N N 174 
GLY HA3  H N N 175 
GLY HXT  H N N 176 
HIS N    N N N 177 
HIS CA   C N S 178 
HIS C    C N N 179 
HIS O    O N N 180 
HIS CB   C N N 181 
HIS CG   C Y N 182 
HIS ND1  N Y N 183 
HIS CD2  C Y N 184 
HIS CE1  C Y N 185 
HIS NE2  N Y N 186 
HIS OXT  O N N 187 
HIS H    H N N 188 
HIS H2   H N N 189 
HIS HA   H N N 190 
HIS HB2  H N N 191 
HIS HB3  H N N 192 
HIS HD1  H N N 193 
HIS HD2  H N N 194 
HIS HE1  H N N 195 
HIS HE2  H N N 196 
HIS HXT  H N N 197 
HOH O    O N N 198 
HOH H1   H N N 199 
HOH H2   H N N 200 
ILE N    N N N 201 
ILE CA   C N S 202 
ILE C    C N N 203 
ILE O    O N N 204 
ILE CB   C N S 205 
ILE CG1  C N N 206 
ILE CG2  C N N 207 
ILE CD1  C N N 208 
ILE OXT  O N N 209 
ILE H    H N N 210 
ILE H2   H N N 211 
ILE HA   H N N 212 
ILE HB   H N N 213 
ILE HG12 H N N 214 
ILE HG13 H N N 215 
ILE HG21 H N N 216 
ILE HG22 H N N 217 
ILE HG23 H N N 218 
ILE HD11 H N N 219 
ILE HD12 H N N 220 
ILE HD13 H N N 221 
ILE HXT  H N N 222 
LEU N    N N N 223 
LEU CA   C N S 224 
LEU C    C N N 225 
LEU O    O N N 226 
LEU CB   C N N 227 
LEU CG   C N N 228 
LEU CD1  C N N 229 
LEU CD2  C N N 230 
LEU OXT  O N N 231 
LEU H    H N N 232 
LEU H2   H N N 233 
LEU HA   H N N 234 
LEU HB2  H N N 235 
LEU HB3  H N N 236 
LEU HG   H N N 237 
LEU HD11 H N N 238 
LEU HD12 H N N 239 
LEU HD13 H N N 240 
LEU HD21 H N N 241 
LEU HD22 H N N 242 
LEU HD23 H N N 243 
LEU HXT  H N N 244 
LYS N    N N N 245 
LYS CA   C N S 246 
LYS C    C N N 247 
LYS O    O N N 248 
LYS CB   C N N 249 
LYS CG   C N N 250 
LYS CD   C N N 251 
LYS CE   C N N 252 
LYS NZ   N N N 253 
LYS OXT  O N N 254 
LYS H    H N N 255 
LYS H2   H N N 256 
LYS HA   H N N 257 
LYS HB2  H N N 258 
LYS HB3  H N N 259 
LYS HG2  H N N 260 
LYS HG3  H N N 261 
LYS HD2  H N N 262 
LYS HD3  H N N 263 
LYS HE2  H N N 264 
LYS HE3  H N N 265 
LYS HZ1  H N N 266 
LYS HZ2  H N N 267 
LYS HZ3  H N N 268 
LYS HXT  H N N 269 
MET N    N N N 270 
MET CA   C N S 271 
MET C    C N N 272 
MET O    O N N 273 
MET CB   C N N 274 
MET CG   C N N 275 
MET SD   S N N 276 
MET CE   C N N 277 
MET OXT  O N N 278 
MET H    H N N 279 
MET H2   H N N 280 
MET HA   H N N 281 
MET HB2  H N N 282 
MET HB3  H N N 283 
MET HG2  H N N 284 
MET HG3  H N N 285 
MET HE1  H N N 286 
MET HE2  H N N 287 
MET HE3  H N N 288 
MET HXT  H N N 289 
PEG C1   C N N 290 
PEG O1   O N N 291 
PEG C2   C N N 292 
PEG O2   O N N 293 
PEG C3   C N N 294 
PEG C4   C N N 295 
PEG O4   O N N 296 
PEG H11  H N N 297 
PEG H12  H N N 298 
PEG HO1  H N N 299 
PEG H21  H N N 300 
PEG H22  H N N 301 
PEG H31  H N N 302 
PEG H32  H N N 303 
PEG H41  H N N 304 
PEG H42  H N N 305 
PEG HO4  H N N 306 
PHE N    N N N 307 
PHE CA   C N S 308 
PHE C    C N N 309 
PHE O    O N N 310 
PHE CB   C N N 311 
PHE CG   C Y N 312 
PHE CD1  C Y N 313 
PHE CD2  C Y N 314 
PHE CE1  C Y N 315 
PHE CE2  C Y N 316 
PHE CZ   C Y N 317 
PHE OXT  O N N 318 
PHE H    H N N 319 
PHE H2   H N N 320 
PHE HA   H N N 321 
PHE HB2  H N N 322 
PHE HB3  H N N 323 
PHE HD1  H N N 324 
PHE HD2  H N N 325 
PHE HE1  H N N 326 
PHE HE2  H N N 327 
PHE HZ   H N N 328 
PHE HXT  H N N 329 
PRO N    N N N 330 
PRO CA   C N S 331 
PRO C    C N N 332 
PRO O    O N N 333 
PRO CB   C N N 334 
PRO CG   C N N 335 
PRO CD   C N N 336 
PRO OXT  O N N 337 
PRO H    H N N 338 
PRO HA   H N N 339 
PRO HB2  H N N 340 
PRO HB3  H N N 341 
PRO HG2  H N N 342 
PRO HG3  H N N 343 
PRO HD2  H N N 344 
PRO HD3  H N N 345 
PRO HXT  H N N 346 
SER N    N N N 347 
SER CA   C N S 348 
SER C    C N N 349 
SER O    O N N 350 
SER CB   C N N 351 
SER OG   O N N 352 
SER OXT  O N N 353 
SER H    H N N 354 
SER H2   H N N 355 
SER HA   H N N 356 
SER HB2  H N N 357 
SER HB3  H N N 358 
SER HG   H N N 359 
SER HXT  H N N 360 
SO4 S    S N N 361 
SO4 O1   O N N 362 
SO4 O2   O N N 363 
SO4 O3   O N N 364 
SO4 O4   O N N 365 
THR N    N N N 366 
THR CA   C N S 367 
THR C    C N N 368 
THR O    O N N 369 
THR CB   C N R 370 
THR OG1  O N N 371 
THR CG2  C N N 372 
THR OXT  O N N 373 
THR H    H N N 374 
THR H2   H N N 375 
THR HA   H N N 376 
THR HB   H N N 377 
THR HG1  H N N 378 
THR HG21 H N N 379 
THR HG22 H N N 380 
THR HG23 H N N 381 
THR HXT  H N N 382 
TRP N    N N N 383 
TRP CA   C N S 384 
TRP C    C N N 385 
TRP O    O N N 386 
TRP CB   C N N 387 
TRP CG   C Y N 388 
TRP CD1  C Y N 389 
TRP CD2  C Y N 390 
TRP NE1  N Y N 391 
TRP CE2  C Y N 392 
TRP CE3  C Y N 393 
TRP CZ2  C Y N 394 
TRP CZ3  C Y N 395 
TRP CH2  C Y N 396 
TRP OXT  O N N 397 
TRP H    H N N 398 
TRP H2   H N N 399 
TRP HA   H N N 400 
TRP HB2  H N N 401 
TRP HB3  H N N 402 
TRP HD1  H N N 403 
TRP HE1  H N N 404 
TRP HE3  H N N 405 
TRP HZ2  H N N 406 
TRP HZ3  H N N 407 
TRP HH2  H N N 408 
TRP HXT  H N N 409 
TYR N    N N N 410 
TYR CA   C N S 411 
TYR C    C N N 412 
TYR O    O N N 413 
TYR CB   C N N 414 
TYR CG   C Y N 415 
TYR CD1  C Y N 416 
TYR CD2  C Y N 417 
TYR CE1  C Y N 418 
TYR CE2  C Y N 419 
TYR CZ   C Y N 420 
TYR OH   O N N 421 
TYR OXT  O N N 422 
TYR H    H N N 423 
TYR H2   H N N 424 
TYR HA   H N N 425 
TYR HB2  H N N 426 
TYR HB3  H N N 427 
TYR HD1  H N N 428 
TYR HD2  H N N 429 
TYR HE1  H N N 430 
TYR HE2  H N N 431 
TYR HH   H N N 432 
TYR HXT  H N N 433 
VAL N    N N N 434 
VAL CA   C N S 435 
VAL C    C N N 436 
VAL O    O N N 437 
VAL CB   C N N 438 
VAL CG1  C N N 439 
VAL CG2  C N N 440 
VAL OXT  O N N 441 
VAL H    H N N 442 
VAL H2   H N N 443 
VAL HA   H N N 444 
VAL HB   H N N 445 
VAL HG11 H N N 446 
VAL HG12 H N N 447 
VAL HG13 H N N 448 
VAL HG21 H N N 449 
VAL HG22 H N N 450 
VAL HG23 H N N 451 
VAL HXT  H N N 452 
# 
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 
9F2 N7  C17  sing N N 1   
9F2 C17 N8   doub Y N 2   
9F2 C17 S3   sing Y N 3   
9F2 N8  C15  sing Y N 4   
9F2 S3  C16  sing Y N 5   
9F2 C15 C16  doub Y N 6   
9F2 C15 C13  sing N N 7   
9F2 N5  C11  sing N N 8   
9F2 N5  C12  sing N N 9   
9F2 O3  C10  doub N N 10  
9F2 C14 O5   sing N N 11  
9F2 C13 N6   doub N E 12  
9F2 C13 C12  sing N N 13  
9F2 C11 C10  sing N N 14  
9F2 C11 C1   sing N N 15  
9F2 N6  O5   sing N N 16  
9F2 C12 O4   doub N N 17  
9F2 C10 N4   sing N N 18  
9F2 O6  C18  doub N N 19  
9F2 C1  N4   sing N N 20  
9F2 C1  S1   sing N N 21  
9F2 N4  C9   sing N N 22  
9F2 C18 C9   sing N N 23  
9F2 C18 O7   sing N N 24  
9F2 C9  C3   doub N N 25  
9F2 S1  C2   sing N N 26  
9F2 C3  C2   sing N N 27  
9F2 C3  C4   sing N N 28  
9F2 C4  S2   sing N N 29  
9F2 S2  C5   sing N N 30  
9F2 C5  N1   doub N N 31  
9F2 C5  N3   sing N N 32  
9F2 N1  C6   sing N N 33  
9F2 C8  N3   sing N N 34  
9F2 N3  N2   sing N N 35  
9F2 C6  O1   doub N N 36  
9F2 C6  C7   sing N N 37  
9F2 N2  C7   sing N N 38  
9F2 C7  O2   doub N N 39  
9F2 C1  H1   sing N N 40  
9F2 C2  H2   sing N N 41  
9F2 C2  H3   sing N N 42  
9F2 C4  H5   sing N N 43  
9F2 C4  H6   sing N N 44  
9F2 N2  H7   sing N N 45  
9F2 C8  H8   sing N N 46  
9F2 C8  H9   sing N N 47  
9F2 C8  H10  sing N N 48  
9F2 C11 H12  sing N N 49  
9F2 N5  H13  sing N N 50  
9F2 C14 H14  sing N N 51  
9F2 C14 H15  sing N N 52  
9F2 C14 H16  sing N N 53  
9F2 C16 H18  sing N N 54  
9F2 N7  H21  sing N N 55  
9F2 N7  H22  sing N N 56  
9F2 O7  H26  sing N N 57  
ALA N   CA   sing N N 58  
ALA N   H    sing N N 59  
ALA N   H2   sing N N 60  
ALA CA  C    sing N N 61  
ALA CA  CB   sing N N 62  
ALA CA  HA   sing N N 63  
ALA C   O    doub N N 64  
ALA C   OXT  sing N N 65  
ALA CB  HB1  sing N N 66  
ALA CB  HB2  sing N N 67  
ALA CB  HB3  sing N N 68  
ALA OXT HXT  sing N N 69  
ARG N   CA   sing N N 70  
ARG N   H    sing N N 71  
ARG N   H2   sing N N 72  
ARG CA  C    sing N N 73  
ARG CA  CB   sing N N 74  
ARG CA  HA   sing N N 75  
ARG C   O    doub N N 76  
ARG C   OXT  sing N N 77  
ARG CB  CG   sing N N 78  
ARG CB  HB2  sing N N 79  
ARG CB  HB3  sing N N 80  
ARG CG  CD   sing N N 81  
ARG CG  HG2  sing N N 82  
ARG CG  HG3  sing N N 83  
ARG CD  NE   sing N N 84  
ARG CD  HD2  sing N N 85  
ARG CD  HD3  sing N N 86  
ARG NE  CZ   sing N N 87  
ARG NE  HE   sing N N 88  
ARG CZ  NH1  sing N N 89  
ARG CZ  NH2  doub N N 90  
ARG NH1 HH11 sing N N 91  
ARG NH1 HH12 sing N N 92  
ARG NH2 HH21 sing N N 93  
ARG NH2 HH22 sing N N 94  
ARG OXT HXT  sing N N 95  
ASN N   CA   sing N N 96  
ASN N   H    sing N N 97  
ASN N   H2   sing N N 98  
ASN CA  C    sing N N 99  
ASN CA  CB   sing N N 100 
ASN CA  HA   sing N N 101 
ASN C   O    doub N N 102 
ASN C   OXT  sing N N 103 
ASN CB  CG   sing N N 104 
ASN CB  HB2  sing N N 105 
ASN CB  HB3  sing N N 106 
ASN CG  OD1  doub N N 107 
ASN CG  ND2  sing N N 108 
ASN ND2 HD21 sing N N 109 
ASN ND2 HD22 sing N N 110 
ASN OXT HXT  sing N N 111 
ASP N   CA   sing N N 112 
ASP N   H    sing N N 113 
ASP N   H2   sing N N 114 
ASP CA  C    sing N N 115 
ASP CA  CB   sing N N 116 
ASP CA  HA   sing N N 117 
ASP C   O    doub N N 118 
ASP C   OXT  sing N N 119 
ASP CB  CG   sing N N 120 
ASP CB  HB2  sing N N 121 
ASP CB  HB3  sing N N 122 
ASP CG  OD1  doub N N 123 
ASP CG  OD2  sing N N 124 
ASP OD2 HD2  sing N N 125 
ASP OXT HXT  sing N N 126 
GLN N   CA   sing N N 127 
GLN N   H    sing N N 128 
GLN N   H2   sing N N 129 
GLN CA  C    sing N N 130 
GLN CA  CB   sing N N 131 
GLN CA  HA   sing N N 132 
GLN C   O    doub N N 133 
GLN C   OXT  sing N N 134 
GLN CB  CG   sing N N 135 
GLN CB  HB2  sing N N 136 
GLN CB  HB3  sing N N 137 
GLN CG  CD   sing N N 138 
GLN CG  HG2  sing N N 139 
GLN CG  HG3  sing N N 140 
GLN CD  OE1  doub N N 141 
GLN CD  NE2  sing N N 142 
GLN NE2 HE21 sing N N 143 
GLN NE2 HE22 sing N N 144 
GLN OXT HXT  sing N N 145 
GLU N   CA   sing N N 146 
GLU N   H    sing N N 147 
GLU N   H2   sing N N 148 
GLU CA  C    sing N N 149 
GLU CA  CB   sing N N 150 
GLU CA  HA   sing N N 151 
GLU C   O    doub N N 152 
GLU C   OXT  sing N N 153 
GLU CB  CG   sing N N 154 
GLU CB  HB2  sing N N 155 
GLU CB  HB3  sing N N 156 
GLU CG  CD   sing N N 157 
GLU CG  HG2  sing N N 158 
GLU CG  HG3  sing N N 159 
GLU CD  OE1  doub N N 160 
GLU CD  OE2  sing N N 161 
GLU OE2 HE2  sing N N 162 
GLU OXT HXT  sing N N 163 
GLY N   CA   sing N N 164 
GLY N   H    sing N N 165 
GLY N   H2   sing N N 166 
GLY CA  C    sing N N 167 
GLY CA  HA2  sing N N 168 
GLY CA  HA3  sing N N 169 
GLY C   O    doub N N 170 
GLY C   OXT  sing N N 171 
GLY OXT HXT  sing N N 172 
HIS N   CA   sing N N 173 
HIS N   H    sing N N 174 
HIS N   H2   sing N N 175 
HIS CA  C    sing N N 176 
HIS CA  CB   sing N N 177 
HIS CA  HA   sing N N 178 
HIS C   O    doub N N 179 
HIS C   OXT  sing N N 180 
HIS CB  CG   sing N N 181 
HIS CB  HB2  sing N N 182 
HIS CB  HB3  sing N N 183 
HIS CG  ND1  sing Y N 184 
HIS CG  CD2  doub Y N 185 
HIS ND1 CE1  doub Y N 186 
HIS ND1 HD1  sing N N 187 
HIS CD2 NE2  sing Y N 188 
HIS CD2 HD2  sing N N 189 
HIS CE1 NE2  sing Y N 190 
HIS CE1 HE1  sing N N 191 
HIS NE2 HE2  sing N N 192 
HIS OXT HXT  sing N N 193 
HOH O   H1   sing N N 194 
HOH O   H2   sing N N 195 
ILE N   CA   sing N N 196 
ILE N   H    sing N N 197 
ILE N   H2   sing N N 198 
ILE CA  C    sing N N 199 
ILE CA  CB   sing N N 200 
ILE CA  HA   sing N N 201 
ILE C   O    doub N N 202 
ILE C   OXT  sing N N 203 
ILE CB  CG1  sing N N 204 
ILE CB  CG2  sing N N 205 
ILE CB  HB   sing N N 206 
ILE CG1 CD1  sing N N 207 
ILE CG1 HG12 sing N N 208 
ILE CG1 HG13 sing N N 209 
ILE CG2 HG21 sing N N 210 
ILE CG2 HG22 sing N N 211 
ILE CG2 HG23 sing N N 212 
ILE CD1 HD11 sing N N 213 
ILE CD1 HD12 sing N N 214 
ILE CD1 HD13 sing N N 215 
ILE OXT HXT  sing N N 216 
LEU N   CA   sing N N 217 
LEU N   H    sing N N 218 
LEU N   H2   sing N N 219 
LEU CA  C    sing N N 220 
LEU CA  CB   sing N N 221 
LEU CA  HA   sing N N 222 
LEU C   O    doub N N 223 
LEU C   OXT  sing N N 224 
LEU CB  CG   sing N N 225 
LEU CB  HB2  sing N N 226 
LEU CB  HB3  sing N N 227 
LEU CG  CD1  sing N N 228 
LEU CG  CD2  sing N N 229 
LEU CG  HG   sing N N 230 
LEU CD1 HD11 sing N N 231 
LEU CD1 HD12 sing N N 232 
LEU CD1 HD13 sing N N 233 
LEU CD2 HD21 sing N N 234 
LEU CD2 HD22 sing N N 235 
LEU CD2 HD23 sing N N 236 
LEU OXT HXT  sing N N 237 
LYS N   CA   sing N N 238 
LYS N   H    sing N N 239 
LYS N   H2   sing N N 240 
LYS CA  C    sing N N 241 
LYS CA  CB   sing N N 242 
LYS CA  HA   sing N N 243 
LYS C   O    doub N N 244 
LYS C   OXT  sing N N 245 
LYS CB  CG   sing N N 246 
LYS CB  HB2  sing N N 247 
LYS CB  HB3  sing N N 248 
LYS CG  CD   sing N N 249 
LYS CG  HG2  sing N N 250 
LYS CG  HG3  sing N N 251 
LYS CD  CE   sing N N 252 
LYS CD  HD2  sing N N 253 
LYS CD  HD3  sing N N 254 
LYS CE  NZ   sing N N 255 
LYS CE  HE2  sing N N 256 
LYS CE  HE3  sing N N 257 
LYS NZ  HZ1  sing N N 258 
LYS NZ  HZ2  sing N N 259 
LYS NZ  HZ3  sing N N 260 
LYS OXT HXT  sing N N 261 
MET N   CA   sing N N 262 
MET N   H    sing N N 263 
MET N   H2   sing N N 264 
MET CA  C    sing N N 265 
MET CA  CB   sing N N 266 
MET CA  HA   sing N N 267 
MET C   O    doub N N 268 
MET C   OXT  sing N N 269 
MET CB  CG   sing N N 270 
MET CB  HB2  sing N N 271 
MET CB  HB3  sing N N 272 
MET CG  SD   sing N N 273 
MET CG  HG2  sing N N 274 
MET CG  HG3  sing N N 275 
MET SD  CE   sing N N 276 
MET CE  HE1  sing N N 277 
MET CE  HE2  sing N N 278 
MET CE  HE3  sing N N 279 
MET OXT HXT  sing N N 280 
PEG C1  O1   sing N N 281 
PEG C1  C2   sing N N 282 
PEG C1  H11  sing N N 283 
PEG C1  H12  sing N N 284 
PEG O1  HO1  sing N N 285 
PEG C2  O2   sing N N 286 
PEG C2  H21  sing N N 287 
PEG C2  H22  sing N N 288 
PEG O2  C3   sing N N 289 
PEG C3  C4   sing N N 290 
PEG C3  H31  sing N N 291 
PEG C3  H32  sing N N 292 
PEG C4  O4   sing N N 293 
PEG C4  H41  sing N N 294 
PEG C4  H42  sing N N 295 
PEG O4  HO4  sing N N 296 
PHE N   CA   sing N N 297 
PHE N   H    sing N N 298 
PHE N   H2   sing N N 299 
PHE CA  C    sing N N 300 
PHE CA  CB   sing N N 301 
PHE CA  HA   sing N N 302 
PHE C   O    doub N N 303 
PHE C   OXT  sing N N 304 
PHE CB  CG   sing N N 305 
PHE CB  HB2  sing N N 306 
PHE CB  HB3  sing N N 307 
PHE CG  CD1  doub Y N 308 
PHE CG  CD2  sing Y N 309 
PHE CD1 CE1  sing Y N 310 
PHE CD1 HD1  sing N N 311 
PHE CD2 CE2  doub Y N 312 
PHE CD2 HD2  sing N N 313 
PHE CE1 CZ   doub Y N 314 
PHE CE1 HE1  sing N N 315 
PHE CE2 CZ   sing Y N 316 
PHE CE2 HE2  sing N N 317 
PHE CZ  HZ   sing N N 318 
PHE OXT HXT  sing N N 319 
PRO N   CA   sing N N 320 
PRO N   CD   sing N N 321 
PRO N   H    sing N N 322 
PRO CA  C    sing N N 323 
PRO CA  CB   sing N N 324 
PRO CA  HA   sing N N 325 
PRO C   O    doub N N 326 
PRO C   OXT  sing N N 327 
PRO CB  CG   sing N N 328 
PRO CB  HB2  sing N N 329 
PRO CB  HB3  sing N N 330 
PRO CG  CD   sing N N 331 
PRO CG  HG2  sing N N 332 
PRO CG  HG3  sing N N 333 
PRO CD  HD2  sing N N 334 
PRO CD  HD3  sing N N 335 
PRO OXT HXT  sing N N 336 
SER N   CA   sing N N 337 
SER N   H    sing N N 338 
SER N   H2   sing N N 339 
SER CA  C    sing N N 340 
SER CA  CB   sing N N 341 
SER CA  HA   sing N N 342 
SER C   O    doub N N 343 
SER C   OXT  sing N N 344 
SER CB  OG   sing N N 345 
SER CB  HB2  sing N N 346 
SER CB  HB3  sing N N 347 
SER OG  HG   sing N N 348 
SER OXT HXT  sing N N 349 
SO4 S   O1   doub N N 350 
SO4 S   O2   doub N N 351 
SO4 S   O3   sing N N 352 
SO4 S   O4   sing N N 353 
THR N   CA   sing N N 354 
THR N   H    sing N N 355 
THR N   H2   sing N N 356 
THR CA  C    sing N N 357 
THR CA  CB   sing N N 358 
THR CA  HA   sing N N 359 
THR C   O    doub N N 360 
THR C   OXT  sing N N 361 
THR CB  OG1  sing N N 362 
THR CB  CG2  sing N N 363 
THR CB  HB   sing N N 364 
THR OG1 HG1  sing N N 365 
THR CG2 HG21 sing N N 366 
THR CG2 HG22 sing N N 367 
THR CG2 HG23 sing N N 368 
THR OXT HXT  sing N N 369 
TRP N   CA   sing N N 370 
TRP N   H    sing N N 371 
TRP N   H2   sing N N 372 
TRP CA  C    sing N N 373 
TRP CA  CB   sing N N 374 
TRP CA  HA   sing N N 375 
TRP C   O    doub N N 376 
TRP C   OXT  sing N N 377 
TRP CB  CG   sing N N 378 
TRP CB  HB2  sing N N 379 
TRP CB  HB3  sing N N 380 
TRP CG  CD1  doub Y N 381 
TRP CG  CD2  sing Y N 382 
TRP CD1 NE1  sing Y N 383 
TRP CD1 HD1  sing N N 384 
TRP CD2 CE2  doub Y N 385 
TRP CD2 CE3  sing Y N 386 
TRP NE1 CE2  sing Y N 387 
TRP NE1 HE1  sing N N 388 
TRP CE2 CZ2  sing Y N 389 
TRP CE3 CZ3  doub Y N 390 
TRP CE3 HE3  sing N N 391 
TRP CZ2 CH2  doub Y N 392 
TRP CZ2 HZ2  sing N N 393 
TRP CZ3 CH2  sing Y N 394 
TRP CZ3 HZ3  sing N N 395 
TRP CH2 HH2  sing N N 396 
TRP OXT HXT  sing N N 397 
TYR N   CA   sing N N 398 
TYR N   H    sing N N 399 
TYR N   H2   sing N N 400 
TYR CA  C    sing N N 401 
TYR CA  CB   sing N N 402 
TYR CA  HA   sing N N 403 
TYR C   O    doub N N 404 
TYR C   OXT  sing N N 405 
TYR CB  CG   sing N N 406 
TYR CB  HB2  sing N N 407 
TYR CB  HB3  sing N N 408 
TYR CG  CD1  doub Y N 409 
TYR CG  CD2  sing Y N 410 
TYR CD1 CE1  sing Y N 411 
TYR CD1 HD1  sing N N 412 
TYR CD2 CE2  doub Y N 413 
TYR CD2 HD2  sing N N 414 
TYR CE1 CZ   doub Y N 415 
TYR CE1 HE1  sing N N 416 
TYR CE2 CZ   sing Y N 417 
TYR CE2 HE2  sing N N 418 
TYR CZ  OH   sing N N 419 
TYR OH  HH   sing N N 420 
TYR OXT HXT  sing N N 421 
VAL N   CA   sing N N 422 
VAL N   H    sing N N 423 
VAL N   H2   sing N N 424 
VAL CA  C    sing N N 425 
VAL CA  CB   sing N N 426 
VAL CA  HA   sing N N 427 
VAL C   O    doub N N 428 
VAL C   OXT  sing N N 429 
VAL CB  CG1  sing N N 430 
VAL CB  CG2  sing N N 431 
VAL CB  HB   sing N N 432 
VAL CG1 HG11 sing N N 433 
VAL CG1 HG12 sing N N 434 
VAL CG1 HG13 sing N N 435 
VAL CG2 HG21 sing N N 436 
VAL CG2 HG22 sing N N 437 
VAL CG2 HG23 sing N N 438 
VAL OXT HXT  sing N N 439 
# 
_pdbx_audit_support.funding_organization   'Department of Science & Technology (DST, India)' 
_pdbx_audit_support.country                India 
_pdbx_audit_support.grant_number           'DST-SERB IPA/2020/000054' 
_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   6YUN 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8ZFV 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.022968 
_atom_sites.fract_transf_matrix[1][2]   0.001388 
_atom_sites.fract_transf_matrix[1][3]   0.000464 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.021479 
_atom_sites.fract_transf_matrix[2][3]   0.006441 
_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]   0.015126 
_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 
H 
N 
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   . ALA A 1 7   ? 8.323   -17.671 -13.232 1.00 25.23  ?  251 ALA A N   1 
ATOM   2    C CA  . ALA A 1 7   ? 8.696   -17.390 -11.827 1.00 22.15  ?  251 ALA A CA  1 
ATOM   3    C C   . ALA A 1 7   ? 9.436   -18.596 -11.238 1.00 19.27  ?  251 ALA A C   1 
ATOM   4    O O   . ALA A 1 7   ? 9.115   -19.756 -11.513 1.00 20.59  ?  251 ALA A O   1 
ATOM   5    C CB  . ALA A 1 7   ? 7.460   -17.024 -11.032 1.00 23.02  ?  251 ALA A CB  1 
ATOM   6    N N   . ALA A 1 8   ? 10.465  -18.301 -10.446 1.00 16.22  ?  252 ALA A N   1 
ATOM   7    C CA  . ALA A 1 8   ? 11.312  -19.304 -9.819  1.00 14.59  ?  252 ALA A CA  1 
ATOM   8    C C   . ALA A 1 8   ? 10.516  -20.096 -8.781  1.00 13.97  ?  252 ALA A C   1 
ATOM   9    O O   . ALA A 1 8   ? 9.620   -19.541 -8.137  1.00 13.12  ?  252 ALA A O   1 
ATOM   10   C CB  . ALA A 1 8   ? 12.480  -18.593 -9.199  1.00 14.49  ?  252 ALA A CB  1 
ATOM   11   N N   . GLU A 1 9   ? 10.835  -21.393 -8.626  1.00 14.34  ?  253 GLU A N   1 
ATOM   12   C CA  . GLU A 1 9   ? 10.198  -22.238 -7.623  1.00 14.41  ?  253 GLU A CA  1 
ATOM   13   C C   . GLU A 1 9   ? 10.423  -21.672 -6.225  1.00 12.94  ?  253 GLU A C   1 
ATOM   14   O O   . GLU A 1 9   ? 9.525   -21.752 -5.363  1.00 12.12  ?  253 GLU A O   1 
ATOM   15   C CB  . GLU A 1 9   ? 10.650  -23.694 -7.725  1.00 16.12  ?  253 GLU A CB  1 
ATOM   16   C CG  . GLU A 1 9   ? 10.202  -24.344 -9.027  1.00 17.38  ?  253 GLU A CG  1 
ATOM   17   C CD  . GLU A 1 9   ? 8.701   -24.469 -9.192  1.00 19.01  ?  253 GLU A CD  1 
ATOM   18   O OE1 . GLU A 1 9   ? 8.003   -24.887 -8.266  1.00 20.54  ?  253 GLU A OE1 1 
ATOM   19   O OE2 . GLU A 1 9   ? 8.244   -24.145 -10.290 1.00 22.03  ?  253 GLU A OE2 1 
ATOM   20   N N   . ALA A 1 10  ? 11.570  -21.000 -6.056  1.00 11.48  ?  254 ALA A N   1 
ATOM   21   C CA  . ALA A 1 10  ? 11.900  -20.354 -4.791  1.00 11.35  ?  254 ALA A CA  1 
ATOM   22   C C   . ALA A 1 10  ? 10.892  -19.256 -4.440  1.00 11.48  ?  254 ALA A C   1 
ATOM   23   O O   . ALA A 1 10  ? 10.752  -18.932 -3.256  1.00 11.93  ?  254 ALA A O   1 
ATOM   24   C CB  . ALA A 1 10  ? 13.297  -19.819 -4.850  1.00 10.76  ?  254 ALA A CB  1 
ATOM   25   N N   . SER A 1 11  ? 10.254  -18.653 -5.465  1.00 12.06  ?  255 SER A N   1 
ATOM   26   C CA  . SER A 1 11  ? 9.249   -17.606 -5.314  1.00 12.60  ?  255 SER A CA  1 
ATOM   27   C C   . SER A 1 11  ? 7.895   -18.158 -4.892  1.00 13.90  ?  255 SER A C   1 
ATOM   28   O O   . SER A 1 11  ? 7.021   -17.392 -4.468  1.00 13.17  ?  255 SER A O   1 
ATOM   29   C CB  . SER A 1 11  ? 9.073   -16.781 -6.583  1.00 12.97  ?  255 SER A CB  1 
ATOM   30   O OG  . SER A 1 11  ? 8.284   -17.462 -7.562  1.00 12.85  ?  255 SER A OG  1 
ATOM   31   N N   . LYS A 1 12  ? 7.705   -19.476 -5.033  1.00 15.04  ?  256 LYS A N   1 
ATOM   32   C CA  . LYS A 1 12  ? 6.390   -20.066 -4.846  1.00 16.32  ?  256 LYS A CA  1 
ATOM   33   C C   . LYS A 1 12  ? 6.140   -20.380 -3.375  1.00 17.88  ?  256 LYS A C   1 
ATOM   34   O O   . LYS A 1 12  ? 5.024   -20.676 -2.991  1.00 18.97  ?  256 LYS A O   1 
ATOM   35   C CB  . LYS A 1 12  ? 6.255   -21.281 -5.761  1.00 17.54  ?  256 LYS A CB  1 
ATOM   36   C CG  . LYS A 1 12  ? 6.143   -20.840 -7.199  1.00 19.30  ?  256 LYS A CG  1 
ATOM   37   C CD  . LYS A 1 12  ? 6.025   -21.943 -8.238  1.00 20.66  ?  256 LYS A CD  1 
ATOM   38   C CE  . LYS A 1 12  ? 6.195   -21.359 -9.626  1.00 22.10  ?  256 LYS A CE  1 
ATOM   39   N NZ  . LYS A 1 12  ? 6.056   -22.412 -10.635 1.00 23.17  ?  256 LYS A NZ  1 
ATOM   40   N N   . LYS A 1 13  ? 7.183   -20.333 -2.547  1.00 20.44  ?  257 LYS A N   1 
ATOM   41   C CA  . LYS A 1 13  ? 7.012   -20.360 -1.107  1.00 20.82  ?  257 LYS A CA  1 
ATOM   42   C C   . LYS A 1 13  ? 6.222   -19.137 -0.639  1.00 17.99  ?  257 LYS A C   1 
ATOM   43   O O   . LYS A 1 13  ? 6.378   -18.036 -1.182  1.00 17.75  ?  257 LYS A O   1 
ATOM   44   C CB  . LYS A 1 13  ? 8.408   -20.297 -0.494  1.00 23.82  ?  257 LYS A CB  1 
ATOM   45   C CG  . LYS A 1 13  ? 9.209   -21.556 -0.684  1.00 27.65  ?  257 LYS A CG  1 
ATOM   46   C CD  . LYS A 1 13  ? 8.849   -22.530 0.421   1.00 31.86  ?  257 LYS A CD  1 
ATOM   47   C CE  . LYS A 1 13  ? 9.356   -23.872 0.174   1.00 35.81  ?  257 LYS A CE  1 
ATOM   48   N NZ  . LYS A 1 13  ? 9.138   -24.700 1.359   1.00 38.52  ?  257 LYS A NZ  1 
ATOM   49   N N   . PRO A 1 14  ? 5.394   -19.253 0.429   1.00 14.90  ?  258 PRO A N   1 
ATOM   50   C CA  . PRO A 1 14  ? 4.853   -18.066 1.101   1.00 13.68  ?  258 PRO A CA  1 
ATOM   51   C C   . PRO A 1 14  ? 6.036   -17.174 1.493   1.00 11.64  ?  258 PRO A C   1 
ATOM   52   O O   . PRO A 1 14  ? 7.103   -17.696 1.812   1.00 10.74  ?  258 PRO A O   1 
ATOM   53   C CB  . PRO A 1 14  ? 4.067   -18.619 2.305   1.00 14.70  ?  258 PRO A CB  1 
ATOM   54   C CG  . PRO A 1 14  ? 3.858   -20.089 2.000   1.00 15.75  ?  258 PRO A CG  1 
ATOM   55   C CD  . PRO A 1 14  ? 4.980   -20.508 1.068   1.00 15.71  ?  258 PRO A CD  1 
ATOM   56   N N   A ARG A 1 15  ? 5.855   -15.839 1.416   0.50 10.84  ?  259 ARG A N   1 
ATOM   57   N N   B ARG A 1 15  ? 5.844   -15.850 1.421   0.50 10.93  ?  259 ARG A N   1 
ATOM   58   C CA  A ARG A 1 15  ? 6.938   -14.871 1.583   0.50 10.46  ?  259 ARG A CA  1 
ATOM   59   C CA  B ARG A 1 15  ? 6.922   -14.884 1.576   0.50 10.62  ?  259 ARG A CA  1 
ATOM   60   C C   A ARG A 1 15  ? 7.790   -15.215 2.806   0.50 10.20  ?  259 ARG A C   1 
ATOM   61   C C   B ARG A 1 15  ? 7.782   -15.203 2.803   0.50 10.28  ?  259 ARG A C   1 
ATOM   62   O O   A ARG A 1 15  ? 9.022   -15.237 2.718   0.50 9.99   ?  259 ARG A O   1 
ATOM   63   O O   B ARG A 1 15  ? 9.013   -15.204 2.713   0.50 10.08  ?  259 ARG A O   1 
ATOM   64   C CB  A ARG A 1 15  ? 6.435   -13.429 1.736   0.50 10.75  ?  259 ARG A CB  1 
ATOM   65   C CB  B ARG A 1 15  ? 6.290   -13.496 1.666   0.50 11.06  ?  259 ARG A CB  1 
ATOM   66   C CG  A ARG A 1 15  ? 7.463   -12.299 1.687   0.50 10.58  ?  259 ARG A CG  1 
ATOM   67   C CG  B ARG A 1 15  ? 7.149   -12.321 1.220   0.50 11.02  ?  259 ARG A CG  1 
ATOM   68   C CD  A ARG A 1 15  ? 6.808   -10.939 2.011   0.50 10.71  ?  259 ARG A CD  1 
ATOM   69   C CD  B ARG A 1 15  ? 6.226   -11.122 1.102   0.50 11.18  ?  259 ARG A CD  1 
ATOM   70   N NE  A ARG A 1 15  ? 7.698   -9.795  1.778   0.50 11.00  ?  259 ARG A NE  1 
ATOM   71   N NE  B ARG A 1 15  ? 6.939   -9.918  0.683   0.50 11.13  ?  259 ARG A NE  1 
ATOM   72   C CZ  A ARG A 1 15  ? 7.917   -8.748  2.572   0.50 10.56  ?  259 ARG A CZ  1 
ATOM   73   C CZ  B ARG A 1 15  ? 7.286   -9.643  -0.549  0.50 11.33  ?  259 ARG A CZ  1 
ATOM   74   N NH1 A ARG A 1 15  ? 7.160   -8.518  3.629   0.50 11.65  ?  259 ARG A NH1 1 
ATOM   75   N NH1 B ARG A 1 15  ? 8.157   -8.686  -0.765  0.50 11.49  ?  259 ARG A NH1 1 
ATOM   76   N NH2 A ARG A 1 15  ? 8.882   -7.912  2.285   0.50 9.82   ?  259 ARG A NH2 1 
ATOM   77   N NH2 B ARG A 1 15  ? 6.782   -10.337 -1.546  0.50 11.80  ?  259 ARG A NH2 1 
ATOM   78   N N   . GLN A 1 16  ? 7.126   -15.528 3.928   1.00 10.01  ?  260 GLN A N   1 
ATOM   79   C CA  . GLN A 1 16  ? 7.807   -15.678 5.215   1.00 9.64   ?  260 GLN A CA  1 
ATOM   80   C C   . GLN A 1 16  ? 8.691   -16.919 5.224   1.00 9.20   ?  260 GLN A C   1 
ATOM   81   O O   . GLN A 1 16  ? 9.540   -17.041 6.097   1.00 9.14   ?  260 GLN A O   1 
ATOM   82   C CB  . GLN A 1 16  ? 6.867   -15.701 6.439   1.00 9.57   ?  260 GLN A CB  1 
ATOM   83   C CG  . GLN A 1 16  ? 5.934   -16.911 6.565   1.00 9.50   ?  260 GLN A CG  1 
ATOM   84   C CD  . GLN A 1 16  ? 4.683   -16.837 5.711   1.00 9.55   ?  260 GLN A CD  1 
ATOM   85   O OE1 . GLN A 1 16  ? 4.509   -15.948 4.872   1.00 9.91   ?  260 GLN A OE1 1 
ATOM   86   N NE2 . GLN A 1 16  ? 3.772   -17.767 5.927   1.00 9.63   ?  260 GLN A NE2 1 
ATOM   87   N N   . LYS A 1 17  ? 8.419   -17.866 4.322   1.00 9.49   ?  261 LYS A N   1 
ATOM   88   C CA  . LYS A 1 17  ? 9.196   -19.094 4.208   1.00 9.97   ?  261 LYS A CA  1 
ATOM   89   C C   . LYS A 1 17  ? 10.204  -19.049 3.062   1.00 10.02  ?  261 LYS A C   1 
ATOM   90   O O   . LYS A 1 17  ? 10.885  -20.033 2.849   1.00 10.56  ?  261 LYS A O   1 
ATOM   91   C CB  . LYS A 1 17  ? 8.287   -20.307 4.016   1.00 10.39  ?  261 LYS A CB  1 
ATOM   92   C CG  . LYS A 1 17  ? 7.427   -20.674 5.219   1.00 10.37  ?  261 LYS A CG  1 
ATOM   93   C CD  . LYS A 1 17  ? 8.222   -20.853 6.515   1.00 10.41  ?  261 LYS A CD  1 
ATOM   94   C CE  . LYS A 1 17  ? 7.403   -21.530 7.543   1.00 10.81  ?  261 LYS A CE  1 
ATOM   95   N NZ  . LYS A 1 17  ? 7.930   -21.512 8.904   1.00 10.88  ?  261 LYS A NZ  1 
ATOM   96   N N   . ARG A 1 18  ? 10.315  -17.895 2.400   1.00 9.84   ?  262 ARG A N   1 
ATOM   97   C CA  . ARG A 1 18  ? 11.278  -17.742 1.279   1.00 9.74   ?  262 ARG A CA  1 
ATOM   98   C C   . ARG A 1 18  ? 12.698  -17.543 1.826   1.00 9.40   ?  262 ARG A C   1 
ATOM   99   O O   . ARG A 1 18  ? 12.835  -16.942 2.914   1.00 9.08   ?  262 ARG A O   1 
ATOM   100  C CB  . ARG A 1 18  ? 10.900  -16.545 0.401   1.00 9.42   ?  262 ARG A CB  1 
ATOM   101  C CG  . ARG A 1 18  ? 9.800   -16.804 -0.618  1.00 9.90   ?  262 ARG A CG  1 
ATOM   102  C CD  . ARG A 1 18  ? 9.345   -15.496 -1.242  1.00 10.49  ?  262 ARG A CD  1 
ATOM   103  N NE  . ARG A 1 18  ? 8.335   -15.671 -2.291  1.00 11.30  ?  262 ARG A NE  1 
ATOM   104  C CZ  . ARG A 1 18  ? 7.811   -14.669 -2.986  1.00 12.87  ?  262 ARG A CZ  1 
ATOM   105  N NH1 . ARG A 1 18  ? 8.501   -13.556 -3.162  1.00 13.63  ?  262 ARG A NH1 1 
ATOM   106  N NH2 . ARG A 1 18  ? 6.602   -14.785 -3.506  1.00 13.97  ?  262 ARG A NH2 1 
ATOM   107  N N   . THR A 1 19  ? 13.709  -18.041 1.108   1.00 9.33   ?  263 THR A N   1 
ATOM   108  C CA  . THR A 1 19  ? 15.092  -17.841 1.497   1.00 9.89   ?  263 THR A CA  1 
ATOM   109  C C   . THR A 1 19  ? 15.862  -17.168 0.370   1.00 9.73   ?  263 THR A C   1 
ATOM   110  O O   . THR A 1 19  ? 15.960  -17.729 -0.727  1.00 9.46   ?  263 THR A O   1 
ATOM   111  C CB  . THR A 1 19  ? 15.762  -19.167 1.839   1.00 10.17  ?  263 THR A CB  1 
ATOM   112  O OG1 . THR A 1 19  ? 14.974  -19.849 2.818   1.00 11.38  ?  263 THR A OG1 1 
ATOM   113  C CG2 . THR A 1 19  ? 17.176  -18.927 2.328   1.00 10.25  ?  263 THR A CG2 1 
ATOM   114  N N   . ALA A 1 20  ? 16.425  -15.988 0.663   1.00 9.29   ?  264 ALA A N   1 
ATOM   115  C CA  . ALA A 1 20  ? 17.193  -15.268 -0.335  1.00 9.42   ?  264 ALA A CA  1 
ATOM   116  C C   . ALA A 1 20  ? 18.592  -15.891 -0.467  1.00 9.60   ?  264 ALA A C   1 
ATOM   117  O O   . ALA A 1 20  ? 19.167  -16.325 0.517   1.00 9.97   ?  264 ALA A O   1 
ATOM   118  C CB  . ALA A 1 20  ? 17.241  -13.785 -0.013  1.00 8.96   ?  264 ALA A CB  1 
ATOM   119  N N   . THR A 1 21  ? 19.094  -15.948 -1.703  1.00 9.97   ?  265 THR A N   1 
ATOM   120  C CA  . THR A 1 21  ? 20.419  -16.421 -2.080  1.00 10.84  ?  265 THR A CA  1 
ATOM   121  C C   . THR A 1 21  ? 20.880  -15.611 -3.294  1.00 11.80  ?  265 THR A C   1 
ATOM   122  O O   . THR A 1 21  ? 20.151  -14.753 -3.780  1.00 11.11  ?  265 THR A O   1 
ATOM   123  C CB  . THR A 1 21  ? 20.430  -17.913 -2.444  1.00 11.05  ?  265 THR A CB  1 
ATOM   124  O OG1 . THR A 1 21  ? 19.571  -18.041 -3.573  1.00 11.71  ?  265 THR A OG1 1 
ATOM   125  C CG2 . THR A 1 21  ? 20.006  -18.814 -1.305  1.00 11.42  ?  265 THR A CG2 1 
ATOM   126  N N   . LYS A 1 22  ? 22.072  -15.926 -3.817  1.00 13.24  ?  266 LYS A N   1 
ATOM   127  C CA  . LYS A 1 22  ? 22.549  -15.310 -5.044  1.00 15.81  ?  266 LYS A CA  1 
ATOM   128  C C   . LYS A 1 22  ? 21.570  -15.499 -6.205  1.00 13.82  ?  266 LYS A C   1 
ATOM   129  O O   . LYS A 1 22  ? 21.410  -14.598 -7.018  1.00 13.07  ?  266 LYS A O   1 
ATOM   130  C CB  . LYS A 1 22  ? 23.909  -15.913 -5.393  1.00 20.53  ?  266 LYS A CB  1 
ATOM   131  C CG  . LYS A 1 22  ? 24.782  -15.085 -6.303  1.00 27.51  ?  266 LYS A CG  1 
ATOM   132  C CD  . LYS A 1 22  ? 26.263  -15.498 -6.253  1.00 31.93  ?  266 LYS A CD  1 
ATOM   133  C CE  . LYS A 1 22  ? 26.897  -15.389 -4.869  1.00 36.25  ?  266 LYS A CE  1 
ATOM   134  N NZ  . LYS A 1 22  ? 28.369  -15.259 -4.783  1.00 41.45  ?  266 LYS A NZ  1 
ATOM   135  N N   . ALA A 1 23  ? 20.903  -16.655 -6.272  1.00 12.65  ?  267 ALA A N   1 
ATOM   136  C CA  . ALA A 1 23  ? 19.995  -16.985 -7.363  1.00 12.32  ?  267 ALA A CA  1 
ATOM   137  C C   . ALA A 1 23  ? 18.658  -16.253 -7.276  1.00 12.04  ?  267 ALA A C   1 
ATOM   138  O O   . ALA A 1 23  ? 17.971  -16.093 -8.286  1.00 11.56  ?  267 ALA A O   1 
ATOM   139  C CB  . ALA A 1 23  ? 19.734  -18.481 -7.385  1.00 12.38  ?  267 ALA A CB  1 
ATOM   140  N N   . TYR A 1 24  ? 18.264  -15.877 -6.059  1.00 11.28  ?  268 TYR A N   1 
ATOM   141  C CA  . TYR A 1 24  ? 16.949  -15.308 -5.813  1.00 10.73  ?  268 TYR A CA  1 
ATOM   142  C C   . TYR A 1 24  ? 17.119  -14.414 -4.595  1.00 10.49  ?  268 TYR A C   1 
ATOM   143  O O   . TYR A 1 24  ? 17.104  -14.889 -3.461  1.00 10.47  ?  268 TYR A O   1 
ATOM   144  C CB  . TYR A 1 24  ? 15.941  -16.451 -5.645  1.00 11.13  ?  268 TYR A CB  1 
ATOM   145  C CG  . TYR A 1 24  ? 14.529  -16.016 -5.285  1.00 11.02  ?  268 TYR A CG  1 
ATOM   146  C CD1 . TYR A 1 24  ? 13.743  -15.337 -6.205  1.00 11.28  ?  268 TYR A CD1 1 
ATOM   147  C CD2 . TYR A 1 24  ? 13.975  -16.298 -4.044  1.00 10.60  ?  268 TYR A CD2 1 
ATOM   148  C CE1 . TYR A 1 24  ? 12.449  -14.941 -5.900  1.00 11.27  ?  268 TYR A CE1 1 
ATOM   149  C CE2 . TYR A 1 24  ? 12.679  -15.920 -3.738  1.00 11.03  ?  268 TYR A CE2 1 
ATOM   150  C CZ  . TYR A 1 24  ? 11.914  -15.220 -4.660  1.00 11.38  ?  268 TYR A CZ  1 
ATOM   151  O OH  . TYR A 1 24  ? 10.629  -14.795 -4.389  1.00 11.09  ?  268 TYR A OH  1 
ATOM   152  N N   . ASN A 1 25  ? 17.329  -13.127 -4.850  1.00 11.19  ?  269 ASN A N   1 
ATOM   153  C CA  . ASN A 1 25  ? 18.038  -12.264 -3.919  1.00 11.16  ?  269 ASN A CA  1 
ATOM   154  C C   . ASN A 1 25  ? 17.036  -11.580 -2.995  1.00 10.33  ?  269 ASN A C   1 
ATOM   155  O O   . ASN A 1 25  ? 15.837  -11.854 -3.065  1.00 9.59   ?  269 ASN A O   1 
ATOM   156  C CB  . ASN A 1 25  ? 19.008  -11.382 -4.693  1.00 11.89  ?  269 ASN A CB  1 
ATOM   157  C CG  . ASN A 1 25  ? 18.334  -10.276 -5.452  1.00 12.41  ?  269 ASN A CG  1 
ATOM   158  O OD1 . ASN A 1 25  ? 17.254  -9.807  -5.075  1.00 12.35  ?  269 ASN A OD1 1 
ATOM   159  N ND2 . ASN A 1 25  ? 19.001  -9.801  -6.489  1.00 13.02  ?  269 ASN A ND2 1 
ATOM   160  N N   . VAL A 1 26  ? 17.546  -10.762 -2.064  1.00 9.74   ?  270 VAL A N   1 
ATOM   161  C CA  . VAL A 1 26  ? 16.708  -10.176 -1.027  1.00 9.84   ?  270 VAL A CA  1 
ATOM   162  C C   . VAL A 1 26  ? 15.602  -9.306  -1.637  1.00 9.94   ?  270 VAL A C   1 
ATOM   163  O O   . VAL A 1 26  ? 14.462  -9.303  -1.147  1.00 8.91   ?  270 VAL A O   1 
ATOM   164  C CB  . VAL A 1 26  ? 17.541  -9.378  -0.015  1.00 9.86   ?  270 VAL A CB  1 
ATOM   165  C CG1 . VAL A 1 26  ? 16.680  -8.621  0.982   1.00 10.02  ?  270 VAL A CG1 1 
ATOM   166  C CG2 . VAL A 1 26  ? 18.474  -10.312 0.741   1.00 10.56  ?  270 VAL A CG2 1 
ATOM   167  N N   . THR A 1 27  ? 15.963  -8.549  -2.685  1.00 9.54   ?  271 THR A N   1 
ATOM   168  C CA  . THR A 1 27  ? 15.010  -7.699  -3.388  1.00 9.77   ?  271 THR A CA  1 
ATOM   169  C C   . THR A 1 27  ? 13.911  -8.560  -4.027  1.00 10.45  ?  271 THR A C   1 
ATOM   170  O O   . THR A 1 27  ? 12.725  -8.247  -3.891  1.00 10.20  ?  271 THR A O   1 
ATOM   171  C CB  . THR A 1 27  ? 15.749  -6.864  -4.439  1.00 10.07  ?  271 THR A CB  1 
ATOM   172  O OG1 . THR A 1 27  ? 16.712  -6.047  -3.773  1.00 10.77  ?  271 THR A OG1 1 
ATOM   173  C CG2 . THR A 1 27  ? 14.815  -5.969  -5.236  1.00 10.54  ?  271 THR A CG2 1 
ATOM   174  N N   . GLN A 1 28  ? 14.313  -9.637  -4.718  1.00 10.70  ?  272 GLN A N   1 
ATOM   175  C CA  . GLN A 1 28  ? 13.396  -10.526 -5.435  1.00 11.88  ?  272 GLN A CA  1 
ATOM   176  C C   . GLN A 1 28  ? 12.447  -11.224 -4.456  1.00 11.28  ?  272 GLN A C   1 
ATOM   177  O O   . GLN A 1 28  ? 11.228  -11.318 -4.674  1.00 10.10  ?  272 GLN A O   1 
ATOM   178  C CB  . GLN A 1 28  ? 14.178  -11.556 -6.269  1.00 13.56  ?  272 GLN A CB  1 
ATOM   179  C CG  . GLN A 1 28  ? 15.020  -10.992 -7.420  1.00 15.66  ?  272 GLN A CG  1 
ATOM   180  C CD  . GLN A 1 28  ? 15.910  -12.018 -8.124  1.00 18.41  ?  272 GLN A CD  1 
ATOM   181  O OE1 . GLN A 1 28  ? 16.929  -12.511 -7.599  1.00 17.54  ?  272 GLN A OE1 1 
ATOM   182  N NE2 . GLN A 1 28  ? 15.544  -12.365 -9.355  1.00 21.11  ?  272 GLN A NE2 1 
ATOM   183  N N   . ALA A 1 29  ? 13.005  -11.646 -3.316  1.00 10.47  ?  273 ALA A N   1 
ATOM   184  C CA  . ALA A 1 29  ? 12.256  -12.407 -2.338  1.00 10.01  ?  273 ALA A CA  1 
ATOM   185  C C   . ALA A 1 29  ? 11.394  -11.513 -1.446  1.00 10.02  ?  273 ALA A C   1 
ATOM   186  O O   . ALA A 1 29  ? 10.277  -11.896 -1.106  1.00 9.08   ?  273 ALA A O   1 
ATOM   187  C CB  . ALA A 1 29  ? 13.207  -13.257 -1.527  1.00 10.37  ?  273 ALA A CB  1 
ATOM   188  N N   . PHE A 1 30  ? 11.935  -10.360 -1.013  1.00 10.04  ?  274 PHE A N   1 
ATOM   189  C CA  . PHE A 1 30  ? 11.324  -9.619  0.077   1.00 9.61   ?  274 PHE A CA  1 
ATOM   190  C C   . PHE A 1 30  ? 11.104  -8.151  -0.262  1.00 10.54  ?  274 PHE A C   1 
ATOM   191  O O   . PHE A 1 30  ? 10.694  -7.395  0.619   1.00 10.72  ?  274 PHE A O   1 
ATOM   192  C CB  . PHE A 1 30  ? 12.173  -9.728  1.343   1.00 9.14   ?  274 PHE A CB  1 
ATOM   193  C CG  . PHE A 1 30  ? 12.508  -11.153 1.729   1.00 8.84   ?  274 PHE A CG  1 
ATOM   194  C CD1 . PHE A 1 30  ? 11.502  -12.060 2.046   1.00 8.67   ?  274 PHE A CD1 1 
ATOM   195  C CD2 . PHE A 1 30  ? 13.825  -11.571 1.842   1.00 8.54   ?  274 PHE A CD2 1 
ATOM   196  C CE1 . PHE A 1 30  ? 11.817  -13.380 2.326   1.00 8.67   ?  274 PHE A CE1 1 
ATOM   197  C CE2 . PHE A 1 30  ? 14.128  -12.879 2.208   1.00 8.55   ?  274 PHE A CE2 1 
ATOM   198  C CZ  . PHE A 1 30  ? 13.133  -13.791 2.407   1.00 8.47   ?  274 PHE A CZ  1 
ATOM   199  N N   . GLY A 1 31  ? 11.355  -7.749  -1.511  1.00 11.50  ?  275 GLY A N   1 
ATOM   200  C CA  . GLY A 1 31  ? 11.113  -6.382  -1.941  1.00 12.67  ?  275 GLY A CA  1 
ATOM   201  C C   . GLY A 1 31  ? 12.340  -5.482  -1.750  1.00 13.62  ?  275 GLY A C   1 
ATOM   202  O O   . GLY A 1 31  ? 13.248  -5.754  -0.951  1.00 12.85  ?  275 GLY A O   1 
ATOM   203  N N   . ARG A 1 32  ? 12.333  -4.355  -2.454  1.00 13.60  ?  276 ARG A N   1 
ATOM   204  C CA  . ARG A 1 32  ? 13.356  -3.347  -2.260  1.00 16.13  ?  276 ARG A CA  1 
ATOM   205  C C   . ARG A 1 32  ? 13.333  -2.864  -0.813  1.00 12.63  ?  276 ARG A C   1 
ATOM   206  O O   . ARG A 1 32  ? 12.267  -2.655  -0.242  1.00 10.90  ?  276 ARG A O   1 
ATOM   207  C CB  . ARG A 1 32  ? 13.126  -2.122  -3.152  1.00 20.66  ?  276 ARG A CB  1 
ATOM   208  C CG  . ARG A 1 32  ? 13.572  -2.326  -4.589  1.00 26.28  ?  276 ARG A CG  1 
ATOM   209  C CD  . ARG A 1 32  ? 13.388  -1.008  -5.298  1.00 32.92  ?  276 ARG A CD  1 
ATOM   210  N NE  . ARG A 1 32  ? 13.229  -1.198  -6.736  1.00 38.80  ?  276 ARG A NE  1 
ATOM   211  C CZ  . ARG A 1 32  ? 13.981  -0.603  -7.656  1.00 47.93  ?  276 ARG A CZ  1 
ATOM   212  N NH1 . ARG A 1 32  ? 14.796  0.377   -7.305  1.00 45.69  ?  276 ARG A NH1 1 
ATOM   213  N NH2 . ARG A 1 32  ? 13.890  -0.978  -8.927  1.00 49.45  ?  276 ARG A NH2 1 
ATOM   214  N N   . ARG A 1 33  ? 14.531  -2.709  -0.241  1.00 10.96  ?  277 ARG A N   1 
ATOM   215  C CA  . ARG A 1 33  ? 14.696  -2.083  1.056   1.00 10.88  ?  277 ARG A CA  1 
ATOM   216  C C   . ARG A 1 33  ? 14.129  -0.665  0.991   1.00 12.33  ?  277 ARG A C   1 
ATOM   217  O O   . ARG A 1 33  ? 14.237  0.006   -0.049  1.00 11.97  ?  277 ARG A O   1 
ATOM   218  C CB  . ARG A 1 33  ? 16.183  -2.065  1.438   1.00 10.17  ?  277 ARG A CB  1 
ATOM   219  C CG  . ARG A 1 33  ? 16.684  -3.273  2.224   1.00 9.68   ?  277 ARG A CG  1 
ATOM   220  C CD  . ARG A 1 33  ? 16.854  -4.531  1.433   1.00 9.33   ?  277 ARG A CD  1 
ATOM   221  N NE  . ARG A 1 33  ? 15.553  -5.166  1.208   1.00 8.83   ?  277 ARG A NE  1 
ATOM   222  C CZ  . ARG A 1 33  ? 14.828  -5.814  2.131   1.00 8.48   ?  277 ARG A CZ  1 
ATOM   223  N NH1 . ARG A 1 33  ? 15.284  -5.991  3.376   1.00 8.15   ?  277 ARG A NH1 1 
ATOM   224  N NH2 . ARG A 1 33  ? 13.648  -6.309  1.797   1.00 8.22   ?  277 ARG A NH2 1 
ATOM   225  N N   . GLY A 1 34  ? 13.536  -0.198  2.096   1.00 12.95  ?  278 GLY A N   1 
ATOM   226  C CA  . GLY A 1 34  ? 13.065  1.179   2.154   1.00 13.45  ?  278 GLY A CA  1 
ATOM   227  C C   . GLY A 1 34  ? 12.543  1.597   3.531   1.00 14.40  ?  278 GLY A C   1 
ATOM   228  O O   . GLY A 1 34  ? 12.637  0.835   4.489   1.00 14.89  ?  278 GLY A O   1 
ATOM   229  N N   . PRO A 1 35  ? 12.050  2.855   3.677   1.00 15.66  ?  279 PRO A N   1 
ATOM   230  C CA  . PRO A 1 35  ? 11.671  3.409   4.978   1.00 17.14  ?  279 PRO A CA  1 
ATOM   231  C C   . PRO A 1 35  ? 10.266  3.122   5.501   1.00 18.57  ?  279 PRO A C   1 
ATOM   232  O O   . PRO A 1 35  ? 9.962   3.489   6.639   1.00 18.05  ?  279 PRO A O   1 
ATOM   233  C CB  . PRO A 1 35  ? 11.840  4.918   4.698   1.00 16.98  ?  279 PRO A CB  1 
ATOM   234  C CG  . PRO A 1 35  ? 11.319  5.057   3.279   1.00 17.53  ?  279 PRO A CG  1 
ATOM   235  C CD  . PRO A 1 35  ? 11.924  3.842   2.593   1.00 16.36  ?  279 PRO A CD  1 
ATOM   236  N N   . GLU A 1 36  ? 9.406   2.528   4.656   1.00 19.45  ?  280 GLU A N   1 
ATOM   237  C CA  . GLU A 1 36  ? 7.978   2.477   4.935   1.00 20.24  ?  280 GLU A CA  1 
ATOM   238  C C   . GLU A 1 36  ? 7.669   1.347   5.915   1.00 23.42  ?  280 GLU A C   1 
ATOM   239  O O   . GLU A 1 36  ? 8.502   0.467   6.157   1.00 20.81  ?  280 GLU A O   1 
ATOM   240  C CB  . GLU A 1 36  ? 7.168   2.358   3.641   1.00 19.82  ?  280 GLU A CB  1 
ATOM   241  C CG  . GLU A 1 36  ? 7.387   3.502   2.653   1.00 19.20  ?  280 GLU A CG  1 
ATOM   242  C CD  . GLU A 1 36  ? 7.065   4.870   3.228   1.00 20.48  ?  280 GLU A CD  1 
ATOM   243  O OE1 . GLU A 1 36  ? 6.301   4.954   4.221   1.00 20.24  ?  280 GLU A OE1 1 
ATOM   244  O OE2 . GLU A 1 36  ? 7.682   5.838   2.738   1.00 21.47  ?  280 GLU A OE2 1 
ATOM   245  N N   . GLN A 1 37  ? 6.443   1.370   6.466   1.00 25.90  ?  281 GLN A N   1 
ATOM   246  C CA  . GLN A 1 37  ? 6.144   0.665   7.702   1.00 31.93  ?  281 GLN A CA  1 
ATOM   247  C C   . GLN A 1 37  ? 6.417   -0.830  7.582   1.00 32.21  ?  281 GLN A C   1 
ATOM   248  O O   . GLN A 1 37  ? 6.916   -1.447  8.522   1.00 40.17  ?  281 GLN A O   1 
ATOM   249  C CB  . GLN A 1 37  ? 4.702   0.855   8.176   1.00 39.10  ?  281 GLN A CB  1 
ATOM   250  C CG  . GLN A 1 37  ? 4.535   0.663   9.680   1.00 44.79  ?  281 GLN A CG  1 
ATOM   251  C CD  . GLN A 1 37  ? 5.565   1.431   10.486  1.00 51.96  ?  281 GLN A CD  1 
ATOM   252  O OE1 . GLN A 1 37  ? 6.339   0.866   11.274  1.00 47.14  ?  281 GLN A OE1 1 
ATOM   253  N NE2 . GLN A 1 37  ? 5.606   2.738   10.256  1.00 57.43  ?  281 GLN A NE2 1 
ATOM   254  N N   . THR A 1 38  ? 6.100   -1.427  6.441   1.00 31.61  ?  282 THR A N   1 
ATOM   255  C CA  . THR A 1 38  ? 6.295   -2.865  6.328   1.00 30.87  ?  282 THR A CA  1 
ATOM   256  C C   . THR A 1 38  ? 7.185   -3.205  5.120   1.00 26.37  ?  282 THR A C   1 
ATOM   257  O O   . THR A 1 38  ? 7.128   -4.320  4.603   1.00 27.74  ?  282 THR A O   1 
ATOM   258  C CB  . THR A 1 38  ? 4.896   -3.505  6.307   1.00 33.99  ?  282 THR A CB  1 
ATOM   259  O OG1 . THR A 1 38  ? 4.096   -2.885  5.297   1.00 32.12  ?  282 THR A OG1 1 
ATOM   260  C CG2 . THR A 1 38  ? 4.159   -3.355  7.631   1.00 29.38  ?  282 THR A CG2 1 
ATOM   261  N N   . GLN A 1 39  ? 8.044   -2.261  4.690   1.00 22.13  ?  283 GLN A N   1 
ATOM   262  C CA  . GLN A 1 39  ? 9.188   -2.570  3.838   1.00 19.00  ?  283 GLN A CA  1 
ATOM   263  C C   . GLN A 1 39  ? 10.336  -2.998  4.751   1.00 14.61  ?  283 GLN A C   1 
ATOM   264  O O   . GLN A 1 39  ? 10.504  -2.422  5.820   1.00 14.47  ?  283 GLN A O   1 
ATOM   265  C CB  . GLN A 1 39  ? 9.822   -1.416  3.060   1.00 20.89  ?  283 GLN A CB  1 
ATOM   266  C CG  . GLN A 1 39  ? 8.976   -0.812  1.953   1.00 24.84  ?  283 GLN A CG  1 
ATOM   267  C CD  . GLN A 1 39  ? 9.586   0.450   1.397   1.00 24.51  ?  283 GLN A CD  1 
ATOM   268  O OE1 . GLN A 1 39  ? 9.888   1.390   2.135   1.00 23.20  ?  283 GLN A OE1 1 
ATOM   269  N NE2 . GLN A 1 39  ? 9.765   0.502   0.086   1.00 28.90  ?  283 GLN A NE2 1 
ATOM   270  N N   . GLY A 1 40  ? 11.151  -3.960  4.321   1.00 12.00  ?  284 GLY A N   1 
ATOM   271  C CA  . GLY A 1 40  ? 12.358  -4.314  5.056   1.00 10.91  ?  284 GLY A CA  1 
ATOM   272  C C   . GLY A 1 40  ? 13.398  -3.201  4.920   1.00 10.06  ?  284 GLY A C   1 
ATOM   273  O O   . GLY A 1 40  ? 13.469  -2.576  3.889   1.00 9.71   ?  284 GLY A O   1 
ATOM   274  N N   . ASN A 1 41  ? 14.187  -2.939  5.968   1.00 9.37   ?  285 ASN A N   1 
ATOM   275  C CA  . ASN A 1 41  ? 15.188  -1.887  5.932   1.00 9.06   ?  285 ASN A CA  1 
ATOM   276  C C   . ASN A 1 41  ? 16.605  -2.435  6.093   1.00 8.54   ?  285 ASN A C   1 
ATOM   277  O O   . ASN A 1 41  ? 17.537  -1.641  6.218   1.00 8.45   ?  285 ASN A O   1 
ATOM   278  C CB  . ASN A 1 41  ? 14.966  -0.867  7.037   1.00 9.25   ?  285 ASN A CB  1 
ATOM   279  C CG  . ASN A 1 41  ? 15.217  -1.452  8.413   1.00 9.70   ?  285 ASN A CG  1 
ATOM   280  O OD1 . ASN A 1 41  ? 15.068  -2.666  8.624   1.00 10.07  ?  285 ASN A OD1 1 
ATOM   281  N ND2 . ASN A 1 41  ? 15.613  -0.606  9.348   1.00 9.82   ?  285 ASN A ND2 1 
ATOM   282  N N   . PHE A 1 42  ? 16.770  -3.770  6.064   1.00 7.89   ?  286 PHE A N   1 
ATOM   283  C CA  . PHE A 1 42  ? 18.010  -4.412  6.466   1.00 7.60   ?  286 PHE A CA  1 
ATOM   284  C C   . PHE A 1 42  ? 18.750  -4.993  5.268   1.00 7.61   ?  286 PHE A C   1 
ATOM   285  O O   . PHE A 1 42  ? 18.200  -5.782  4.491   1.00 7.67   ?  286 PHE A O   1 
ATOM   286  C CB  . PHE A 1 42  ? 17.734  -5.534  7.477   1.00 7.23   ?  286 PHE A CB  1 
ATOM   287  C CG  . PHE A 1 42  ? 18.959  -6.148  8.143   1.00 7.06   ?  286 PHE A CG  1 
ATOM   288  C CD1 . PHE A 1 42  ? 19.428  -5.672  9.365   1.00 7.24   ?  286 PHE A CD1 1 
ATOM   289  C CD2 . PHE A 1 42  ? 19.607  -7.247  7.584   1.00 6.97   ?  286 PHE A CD2 1 
ATOM   290  C CE1 . PHE A 1 42  ? 20.527  -6.251  9.985   1.00 7.24   ?  286 PHE A CE1 1 
ATOM   291  C CE2 . PHE A 1 42  ? 20.728  -7.811  8.192   1.00 6.98   ?  286 PHE A CE2 1 
ATOM   292  C CZ  . PHE A 1 42  ? 21.154  -7.352  9.422   1.00 7.12   ?  286 PHE A CZ  1 
ATOM   293  N N   . GLY A 1 43  ? 20.031  -4.636  5.176   1.00 8.06   ?  287 GLY A N   1 
ATOM   294  C CA  . GLY A 1 43  ? 20.958  -5.235  4.234   1.00 8.34   ?  287 GLY A CA  1 
ATOM   295  C C   . GLY A 1 43  ? 21.693  -4.183  3.415   1.00 8.64   ?  287 GLY A C   1 
ATOM   296  O O   . GLY A 1 43  ? 21.069  -3.304  2.857   1.00 8.36   ?  287 GLY A O   1 
ATOM   297  N N   . ASP A 1 44  ? 23.026  -4.280  3.391   1.00 9.17   ?  288 ASP A N   1 
ATOM   298  C CA  . ASP A 1 44  ? 23.861  -3.546  2.454   1.00 9.90   ?  288 ASP A CA  1 
ATOM   299  C C   . ASP A 1 44  ? 23.804  -4.210  1.075   1.00 9.73   ?  288 ASP A C   1 
ATOM   300  O O   . ASP A 1 44  ? 23.122  -5.218  0.866   1.00 8.87   ?  288 ASP A O   1 
ATOM   301  C CB  . ASP A 1 44  ? 25.243  -3.385  3.062   1.00 10.44  ?  288 ASP A CB  1 
ATOM   302  C CG  . ASP A 1 44  ? 26.159  -4.591  2.998   1.00 10.89  ?  288 ASP A CG  1 
ATOM   303  O OD1 . ASP A 1 44  ? 25.763  -5.616  2.381   1.00 11.31  ?  288 ASP A OD1 1 
ATOM   304  O OD2 . ASP A 1 44  ? 27.293  -4.454  3.473   1.00 10.75  ?  288 ASP A OD2 1 
ATOM   305  N N   A GLN A 1 45  ? 24.576  -3.648  0.137   0.50 9.87   ?  289 GLN A N   1 
ATOM   306  N N   B GLN A 1 45  ? 24.512  -3.634  0.092   0.50 10.24  ?  289 GLN A N   1 
ATOM   307  C CA  A GLN A 1 45  ? 24.505  -4.055  -1.253  0.50 9.92   ?  289 GLN A CA  1 
ATOM   308  C CA  B GLN A 1 45  ? 24.381  -4.125  -1.271  0.50 10.54  ?  289 GLN A CA  1 
ATOM   309  C C   A GLN A 1 45  ? 24.926  -5.522  -1.406  0.50 10.17  ?  289 GLN A C   1 
ATOM   310  C C   B GLN A 1 45  ? 24.838  -5.588  -1.340  0.50 10.45  ?  289 GLN A C   1 
ATOM   311  O O   A GLN A 1 45  ? 24.407  -6.247  -2.244  0.50 10.11  ?  289 GLN A O   1 
ATOM   312  O O   B GLN A 1 45  ? 24.218  -6.394  -2.024  0.50 10.25  ?  289 GLN A O   1 
ATOM   313  C CB  A GLN A 1 45  ? 25.373  -3.076  -2.042  0.50 9.91   ?  289 GLN A CB  1 
ATOM   314  C CB  B GLN A 1 45  ? 25.086  -3.228  -2.290  0.50 11.04  ?  289 GLN A CB  1 
ATOM   315  C CG  A GLN A 1 45  ? 25.154  -1.617  -1.658  0.50 9.61   ?  289 GLN A CG  1 
ATOM   316  C CG  B GLN A 1 45  ? 24.366  -1.914  -2.586  0.50 11.09  ?  289 GLN A CG  1 
ATOM   317  C CD  A GLN A 1 45  ? 26.252  -1.033  -0.786  0.50 9.21   ?  289 GLN A CD  1 
ATOM   318  C CD  B GLN A 1 45  ? 25.304  -0.819  -3.040  0.50 11.32  ?  289 GLN A CD  1 
ATOM   319  O OE1 A GLN A 1 45  ? 26.475  -1.430  0.368   0.50 8.01   ?  289 GLN A OE1 1 
ATOM   320  O OE1 B GLN A 1 45  ? 26.231  -0.414  -2.326  0.50 11.34  ?  289 GLN A OE1 1 
ATOM   321  N NE2 A GLN A 1 45  ? 26.929  -0.044  -1.362  0.50 9.27   ?  289 GLN A NE2 1 
ATOM   322  N NE2 B GLN A 1 45  ? 25.070  -0.323  -4.243  0.50 11.60  ?  289 GLN A NE2 1 
ATOM   323  N N   . GLU A 1 46  ? 25.891  -5.948  -0.598  1.00 10.56  ?  290 GLU A N   1 
ATOM   324  C CA  . GLU A 1 46  ? 26.417  -7.301  -0.668  1.00 12.24  ?  290 GLU A CA  1 
ATOM   325  C C   . GLU A 1 46  ? 25.408  -8.315  -0.124  1.00 10.83  ?  290 GLU A C   1 
ATOM   326  O O   . GLU A 1 46  ? 25.107  -9.311  -0.778  1.00 10.80  ?  290 GLU A O   1 
ATOM   327  C CB  . GLU A 1 46  ? 27.741  -7.277  0.099   1.00 14.87  ?  290 GLU A CB  1 
ATOM   328  C CG  . GLU A 1 46  ? 28.603  -8.496  -0.178  1.00 17.43  ?  290 GLU A CG  1 
ATOM   329  C CD  . GLU A 1 46  ? 29.850  -8.502  0.695   1.00 19.32  ?  290 GLU A CD  1 
ATOM   330  O OE1 . GLU A 1 46  ? 30.006  -7.673  1.630   1.00 18.41  ?  290 GLU A OE1 1 
ATOM   331  O OE2 . GLU A 1 46  ? 30.638  -9.418  0.415   1.00 22.49  ?  290 GLU A OE2 1 
ATOM   332  N N   . LEU A 1 47  ? 24.805  -8.026  1.029   1.00 10.03  ?  291 LEU A N   1 
ATOM   333  C CA  . LEU A 1 47  ? 23.790  -8.913  1.583   1.00 9.68   ?  291 LEU A CA  1 
ATOM   334  C C   . LEU A 1 47  ? 22.568  -8.974  0.670   1.00 9.59   ?  291 LEU A C   1 
ATOM   335  O O   . LEU A 1 47  ? 22.008  -10.044 0.439   1.00 9.11   ?  291 LEU A O   1 
ATOM   336  C CB  . LEU A 1 47  ? 23.403  -8.532  3.010   1.00 9.62   ?  291 LEU A CB  1 
ATOM   337  C CG  . LEU A 1 47  ? 22.274  -9.348  3.660   1.00 9.77   ?  291 LEU A CG  1 
ATOM   338  C CD1 . LEU A 1 47  ? 22.512  -10.833 3.643   1.00 10.20  ?  291 LEU A CD1 1 
ATOM   339  C CD2 . LEU A 1 47  ? 22.133  -8.881  5.105   1.00 9.86   ?  291 LEU A CD2 1 
ATOM   340  N N   . ILE A 1 48  ? 22.167  -7.841  0.115   1.00 9.85   ?  292 ILE A N   1 
ATOM   341  C CA  . ILE A 1 48  ? 20.996  -7.829  -0.747  1.00 10.05  ?  292 ILE A CA  1 
ATOM   342  C C   . ILE A 1 48  ? 21.208  -8.777  -1.925  1.00 10.47  ?  292 ILE A C   1 
ATOM   343  O O   . ILE A 1 48  ? 20.296  -9.493  -2.302  1.00 10.46  ?  292 ILE A O   1 
ATOM   344  C CB  . ILE A 1 48  ? 20.651  -6.400  -1.209  1.00 10.26  ?  292 ILE A CB  1 
ATOM   345  C CG1 . ILE A 1 48  ? 20.083  -5.560  -0.075  1.00 10.32  ?  292 ILE A CG1 1 
ATOM   346  C CG2 . ILE A 1 48  ? 19.692  -6.408  -2.397  1.00 10.24  ?  292 ILE A CG2 1 
ATOM   347  C CD1 . ILE A 1 48  ? 20.113  -4.067  -0.335  1.00 10.72  ?  292 ILE A CD1 1 
ATOM   348  N N   . ARG A 1 49  ? 22.400  -8.746  -2.516  1.00 11.79  ?  293 ARG A N   1 
ATOM   349  C CA  . ARG A 1 49  ? 22.716  -9.519  -3.705  1.00 12.63  ?  293 ARG A CA  1 
ATOM   350  C C   . ARG A 1 49  ? 22.831  -11.018 -3.385  1.00 11.91  ?  293 ARG A C   1 
ATOM   351  O O   . ARG A 1 49  ? 22.552  -11.868 -4.235  1.00 11.75  ?  293 ARG A O   1 
ATOM   352  C CB  . ARG A 1 49  ? 24.003  -8.960  -4.328  1.00 14.69  ?  293 ARG A CB  1 
ATOM   353  C CG  . ARG A 1 49  ? 24.503  -9.833  -5.482  1.00 17.58  ?  293 ARG A CG  1 
ATOM   354  C CD  . ARG A 1 49  ? 25.788  -9.339  -6.194  1.00 18.92  ?  293 ARG A CD  1 
ATOM   355  N NE  . ARG A 1 49  ? 27.029  -9.317  -5.394  1.00 19.39  ?  293 ARG A NE  1 
ATOM   356  C CZ  . ARG A 1 49  ? 27.506  -8.230  -4.814  1.00 19.45  ?  293 ARG A CZ  1 
ATOM   357  N NH1 . ARG A 1 49  ? 26.826  -7.101  -4.880  1.00 18.65  ?  293 ARG A NH1 1 
ATOM   358  N NH2 . ARG A 1 49  ? 28.641  -8.276  -4.150  1.00 19.64  ?  293 ARG A NH2 1 
ATOM   359  N N   . GLN A 1 50  ? 23.289  -11.352 -2.177  1.00 11.51  ?  294 GLN A N   1 
ATOM   360  C CA  . GLN A 1 50  ? 23.783  -12.694 -1.912  1.00 12.03  ?  294 GLN A CA  1 
ATOM   361  C C   . GLN A 1 50  ? 22.890  -13.469 -0.961  1.00 11.76  ?  294 GLN A C   1 
ATOM   362  O O   . GLN A 1 50  ? 22.950  -14.694 -0.932  1.00 12.78  ?  294 GLN A O   1 
ATOM   363  C CB  . GLN A 1 50  ? 25.189  -12.636 -1.323  1.00 12.93  ?  294 GLN A CB  1 
ATOM   364  C CG  . GLN A 1 50  ? 26.196  -12.089 -2.317  1.00 13.05  ?  294 GLN A CG  1 
ATOM   365  C CD  . GLN A 1 50  ? 27.568  -11.943 -1.729  1.00 14.28  ?  294 GLN A CD  1 
ATOM   366  O OE1 . GLN A 1 50  ? 27.749  -11.980 -0.507  1.00 15.44  ?  294 GLN A OE1 1 
ATOM   367  N NE2 . GLN A 1 50  ? 28.549  -11.841 -2.618  1.00 15.22  ?  294 GLN A NE2 1 
ATOM   368  N N   . GLY A 1 51  ? 22.079  -12.783 -0.164  1.00 11.10  ?  295 GLY A N   1 
ATOM   369  C CA  . GLY A 1 51  ? 21.170  -13.502 0.716   1.00 10.49  ?  295 GLY A CA  1 
ATOM   370  C C   . GLY A 1 51  ? 21.968  -14.401 1.648   1.00 10.55  ?  295 GLY A C   1 
ATOM   371  O O   . GLY A 1 51  ? 22.948  -13.939 2.237   1.00 10.02  ?  295 GLY A O   1 
ATOM   372  N N   . THR A 1 52  ? 21.568  -15.673 1.768   1.00 10.06  ?  296 THR A N   1 
ATOM   373  C CA  . THR A 1 52  ? 22.221  -16.553 2.732   1.00 10.31  ?  296 THR A CA  1 
ATOM   374  C C   . THR A 1 52  ? 23.602  -16.993 2.216   1.00 10.60  ?  296 THR A C   1 
ATOM   375  O O   . THR A 1 52  ? 24.375  -17.558 2.966   1.00 10.59  ?  296 THR A O   1 
ATOM   376  C CB  . THR A 1 52  ? 21.345  -17.750 3.094   1.00 10.10  ?  296 THR A CB  1 
ATOM   377  O OG1 . THR A 1 52  ? 21.090  -18.472 1.902   1.00 9.96   ?  296 THR A OG1 1 
ATOM   378  C CG2 . THR A 1 52  ? 20.023  -17.360 3.738   1.00 9.89   ?  296 THR A CG2 1 
ATOM   379  N N   . ASP A 1 53  ? 23.947  -16.640 0.976   1.00 10.63  ?  297 ASP A N   1 
ATOM   380  C CA  . ASP A 1 53  ? 25.272  -16.891 0.446   1.00 10.82  ?  297 ASP A CA  1 
ATOM   381  C C   . ASP A 1 53  ? 26.291  -15.883 0.981   1.00 11.05  ?  297 ASP A C   1 
ATOM   382  O O   . ASP A 1 53  ? 27.481  -16.087 0.827   1.00 11.95  ?  297 ASP A O   1 
ATOM   383  C CB  . ASP A 1 53  ? 25.234  -16.865 -1.069  1.00 11.13  ?  297 ASP A CB  1 
ATOM   384  C CG  . ASP A 1 53  ? 24.520  -18.060 -1.690  1.00 11.53  ?  297 ASP A CG  1 
ATOM   385  O OD1 . ASP A 1 53  ? 24.708  -19.172 -1.156  1.00 10.97  ?  297 ASP A OD1 1 
ATOM   386  O OD2 . ASP A 1 53  ? 23.776  -17.855 -2.697  1.00 12.25  ?  297 ASP A OD2 1 
ATOM   387  N N   . TYR A 1 54  ? 25.830  -14.772 1.574   1.00 10.76  ?  298 TYR A N   1 
ATOM   388  C CA  . TYR A 1 54  ? 26.708  -13.784 2.170   1.00 10.82  ?  298 TYR A CA  1 
ATOM   389  C C   . TYR A 1 54  ? 27.668  -14.482 3.130   1.00 11.03  ?  298 TYR A C   1 
ATOM   390  O O   . TYR A 1 54  ? 27.238  -15.279 3.964   1.00 9.81   ?  298 TYR A O   1 
ATOM   391  C CB  . TYR A 1 54  ? 25.806  -12.782 2.894   1.00 10.79  ?  298 TYR A CB  1 
ATOM   392  C CG  . TYR A 1 54  ? 26.475  -11.645 3.652   1.00 11.11  ?  298 TYR A CG  1 
ATOM   393  C CD1 . TYR A 1 54  ? 26.221  -11.455 4.995   1.00 11.60  ?  298 TYR A CD1 1 
ATOM   394  C CD2 . TYR A 1 54  ? 27.244  -10.684 2.999   1.00 11.85  ?  298 TYR A CD2 1 
ATOM   395  C CE1 . TYR A 1 54  ? 26.791  -10.413 5.703   1.00 12.03  ?  298 TYR A CE1 1 
ATOM   396  C CE2 . TYR A 1 54  ? 27.827  -9.635  3.692   1.00 11.89  ?  298 TYR A CE2 1 
ATOM   397  C CZ  . TYR A 1 54  ? 27.587  -9.502  5.042   1.00 12.30  ?  298 TYR A CZ  1 
ATOM   398  O OH  . TYR A 1 54  ? 28.080  -8.480  5.764   1.00 12.90  ?  298 TYR A OH  1 
ATOM   399  N N   . LYS A 1 55  ? 28.946  -14.097 3.095   1.00 12.45  ?  299 LYS A N   1 
ATOM   400  C CA  . LYS A 1 55  ? 29.946  -14.834 3.861   1.00 14.98  ?  299 LYS A CA  1 
ATOM   401  C C   . LYS A 1 55  ? 29.779  -14.627 5.362   1.00 14.53  ?  299 LYS A C   1 
ATOM   402  O O   . LYS A 1 55  ? 30.279  -15.455 6.123   1.00 15.91  ?  299 LYS A O   1 
ATOM   403  C CB  . LYS A 1 55  ? 31.371  -14.514 3.390   1.00 18.07  ?  299 LYS A CB  1 
ATOM   404  C CG  . LYS A 1 55  ? 31.642  -14.958 1.969   1.00 21.60  ?  299 LYS A CG  1 
ATOM   405  C CD  . LYS A 1 55  ? 31.819  -16.448 1.718   1.00 27.01  ?  299 LYS A CD  1 
ATOM   406  C CE  . LYS A 1 55  ? 31.870  -16.707 0.240   1.00 32.43  ?  299 LYS A CE  1 
ATOM   407  N NZ  . LYS A 1 55  ? 32.711  -15.747 -0.498  1.00 34.70  ?  299 LYS A NZ  1 
ATOM   408  N N   . HIS A 1 56  ? 29.087  -13.557 5.795   1.00 13.21  ?  300 HIS A N   1 
ATOM   409  C CA  . HIS A 1 56  ? 28.863  -13.348 7.222   1.00 13.84  ?  300 HIS A CA  1 
ATOM   410  C C   . HIS A 1 56  ? 27.418  -13.631 7.645   1.00 12.89  ?  300 HIS A C   1 
ATOM   411  O O   . HIS A 1 56  ? 27.050  -13.378 8.794   1.00 13.48  ?  300 HIS A O   1 
ATOM   412  C CB  . HIS A 1 56  ? 29.362  -11.966 7.644   1.00 14.82  ?  300 HIS A CB  1 
ATOM   413  C CG  . HIS A 1 56  ? 30.823  -11.836 7.426   1.00 16.59  ?  300 HIS A CG  1 
ATOM   414  N ND1 . HIS A 1 56  ? 31.332  -11.247 6.289   1.00 19.64  ?  300 HIS A ND1 1 
ATOM   415  C CD2 . HIS A 1 56  ? 31.866  -12.264 8.122   1.00 16.84  ?  300 HIS A CD2 1 
ATOM   416  C CE1 . HIS A 1 56  ? 32.649  -11.326 6.316   1.00 18.42  ?  300 HIS A CE1 1 
ATOM   417  N NE2 . HIS A 1 56  ? 32.991  -11.912 7.435   1.00 18.72  ?  300 HIS A NE2 1 
ATOM   418  N N   . TRP A 1 57  ? 26.638  -14.269 6.775   1.00 11.91  ?  301 TRP A N   1 
ATOM   419  C CA  . TRP A 1 57  ? 25.283  -14.678 7.118   1.00 10.88  ?  301 TRP A CA  1 
ATOM   420  C C   . TRP A 1 57  ? 25.205  -15.361 8.495   1.00 11.06  ?  301 TRP A C   1 
ATOM   421  O O   . TRP A 1 57  ? 24.356  -14.985 9.293   1.00 10.73  ?  301 TRP A O   1 
ATOM   422  C CB  . TRP A 1 57  ? 24.650  -15.556 6.034   1.00 10.28  ?  301 TRP A CB  1 
ATOM   423  C CG  . TRP A 1 57  ? 23.216  -15.882 6.379   1.00 10.03  ?  301 TRP A CG  1 
ATOM   424  C CD1 . TRP A 1 57  ? 22.683  -17.090 6.721   1.00 9.95   ?  301 TRP A CD1 1 
ATOM   425  C CD2 . TRP A 1 57  ? 22.150  -14.919 6.511   1.00 9.58   ?  301 TRP A CD2 1 
ATOM   426  N NE1 . TRP A 1 57  ? 21.354  -16.945 7.021   1.00 10.23  ?  301 TRP A NE1 1 
ATOM   427  C CE2 . TRP A 1 57  ? 21.001  -15.628 6.908   1.00 9.75   ?  301 TRP A CE2 1 
ATOM   428  C CE3 . TRP A 1 57  ? 22.063  -13.529 6.332   1.00 9.59   ?  301 TRP A CE3 1 
ATOM   429  C CZ2 . TRP A 1 57  ? 19.772  -14.995 7.119   1.00 9.70   ?  301 TRP A CZ2 1 
ATOM   430  C CZ3 . TRP A 1 57  ? 20.843  -12.905 6.523   1.00 9.23   ?  301 TRP A CZ3 1 
ATOM   431  C CH2 . TRP A 1 57  ? 19.724  -13.631 6.946   1.00 9.26   ?  301 TRP A CH2 1 
ATOM   432  N N   . PRO A 1 58  ? 26.036  -16.376 8.847   1.00 11.53  ?  302 PRO A N   1 
ATOM   433  C CA  . PRO A 1 58  ? 25.947  -17.007 10.169  1.00 11.54  ?  302 PRO A CA  1 
ATOM   434  C C   . PRO A 1 58  ? 25.945  -16.040 11.357  1.00 11.62  ?  302 PRO A C   1 
ATOM   435  O O   . PRO A 1 58  ? 25.229  -16.283 12.332  1.00 11.24  ?  302 PRO A O   1 
ATOM   436  C CB  . PRO A 1 58  ? 27.145  -17.979 10.216  1.00 11.97  ?  302 PRO A CB  1 
ATOM   437  C CG  . PRO A 1 58  ? 27.405  -18.284 8.785   1.00 11.96  ?  302 PRO A CG  1 
ATOM   438  C CD  . PRO A 1 58  ? 27.060  -17.004 8.003   1.00 11.78  ?  302 PRO A CD  1 
ATOM   439  N N   . GLN A 1 59  ? 26.712  -14.935 11.274  1.00 11.38  ?  303 GLN A N   1 
ATOM   440  C CA  . GLN A 1 59  ? 26.779  -13.996 12.384  1.00 12.32  ?  303 GLN A CA  1 
ATOM   441  C C   . GLN A 1 59  ? 25.522  -13.121 12.453  1.00 12.06  ?  303 GLN A C   1 
ATOM   442  O O   . GLN A 1 59  ? 25.271  -12.480 13.470  1.00 11.72  ?  303 GLN A O   1 
ATOM   443  C CB  . GLN A 1 59  ? 28.059  -13.165 12.378  1.00 13.40  ?  303 GLN A CB  1 
ATOM   444  C CG  . GLN A 1 59  ? 29.262  -13.942 12.920  1.00 15.37  ?  303 GLN A CG  1 
ATOM   445  C CD  . GLN A 1 59  ? 29.701  -14.996 11.932  1.00 17.13  ?  303 GLN A CD  1 
ATOM   446  O OE1 . GLN A 1 59  ? 29.719  -14.734 10.718  1.00 15.83  ?  303 GLN A OE1 1 
ATOM   447  N NE2 . GLN A 1 59  ? 29.975  -16.201 12.433  1.00 17.18  ?  303 GLN A NE2 1 
ATOM   448  N N   . ILE A 1 60  ? 24.744  -13.088 11.366  1.00 11.62  ?  304 ILE A N   1 
ATOM   449  C CA  . ILE A 1 60  ? 23.446  -12.423 11.379  1.00 11.47  ?  304 ILE A CA  1 
ATOM   450  C C   . ILE A 1 60  ? 22.386  -13.415 11.845  1.00 11.14  ?  304 ILE A C   1 
ATOM   451  O O   . ILE A 1 60  ? 21.556  -13.087 12.685  1.00 10.90  ?  304 ILE A O   1 
ATOM   452  C CB  . ILE A 1 60  ? 23.133  -11.821 9.994   1.00 11.56  ?  304 ILE A CB  1 
ATOM   453  C CG1 . ILE A 1 60  ? 24.181  -10.736 9.640   1.00 11.79  ?  304 ILE A CG1 1 
ATOM   454  C CG2 . ILE A 1 60  ? 21.690  -11.298 9.910   1.00 11.23  ?  304 ILE A CG2 1 
ATOM   455  C CD1 . ILE A 1 60  ? 24.069  -10.223 8.227   1.00 12.02  ?  304 ILE A CD1 1 
ATOM   456  N N   . ALA A 1 61  ? 22.412  -14.628 11.284  1.00 11.71  ?  305 ALA A N   1 
ATOM   457  C CA  . ALA A 1 61  ? 21.371  -15.617 11.511  1.00 12.06  ?  305 ALA A CA  1 
ATOM   458  C C   . ALA A 1 61  ? 21.299  -16.039 12.978  1.00 12.62  ?  305 ALA A C   1 
ATOM   459  O O   . ALA A 1 61  ? 20.234  -16.439 13.462  1.00 12.26  ?  305 ALA A O   1 
ATOM   460  C CB  . ALA A 1 61  ? 21.592  -16.808 10.613  1.00 12.76  ?  305 ALA A CB  1 
ATOM   461  N N   . GLN A 1 62  ? 22.411  -15.899 13.698  1.00 12.12  ?  306 GLN A N   1 
ATOM   462  C CA  . GLN A 1 62  ? 22.439  -16.264 15.103  1.00 12.87  ?  306 GLN A CA  1 
ATOM   463  C C   . GLN A 1 62  ? 21.393  -15.479 15.901  1.00 12.49  ?  306 GLN A C   1 
ATOM   464  O O   . GLN A 1 62  ? 21.097  -15.860 17.034  1.00 12.69  ?  306 GLN A O   1 
ATOM   465  C CB  . GLN A 1 62  ? 23.859  -16.068 15.638  1.00 12.98  ?  306 GLN A CB  1 
ATOM   466  C CG  . GLN A 1 62  ? 24.264  -14.604 15.801  1.00 13.40  ?  306 GLN A CG  1 
ATOM   467  C CD  . GLN A 1 62  ? 25.662  -14.441 16.370  1.00 14.02  ?  306 GLN A CD  1 
ATOM   468  O OE1 . GLN A 1 62  ? 26.004  -15.092 17.362  1.00 14.41  ?  306 GLN A OE1 1 
ATOM   469  N NE2 . GLN A 1 62  ? 26.488  -13.607 15.744  1.00 13.21  ?  306 GLN A NE2 1 
ATOM   470  N N   . PHE A 1 63  ? 20.894  -14.351 15.362  1.00 11.51  ?  307 PHE A N   1 
ATOM   471  C CA  . PHE A 1 63  ? 19.926  -13.530 16.075  1.00 11.68  ?  307 PHE A CA  1 
ATOM   472  C C   . PHE A 1 63  ? 18.494  -13.816 15.602  1.00 11.83  ?  307 PHE A C   1 
ATOM   473  O O   . PHE A 1 63  ? 17.535  -13.331 16.214  1.00 11.75  ?  307 PHE A O   1 
ATOM   474  C CB  . PHE A 1 63  ? 20.274  -12.042 15.959  1.00 12.39  ?  307 PHE A CB  1 
ATOM   475  C CG  . PHE A 1 63  ? 21.627  -11.689 16.550  1.00 13.93  ?  307 PHE A CG  1 
ATOM   476  C CD1 . PHE A 1 63  ? 21.850  -11.783 17.919  1.00 15.06  ?  307 PHE A CD1 1 
ATOM   477  C CD2 . PHE A 1 63  ? 22.694  -11.337 15.728  1.00 14.64  ?  307 PHE A CD2 1 
ATOM   478  C CE1 . PHE A 1 63  ? 23.112  -11.532 18.439  1.00 15.36  ?  307 PHE A CE1 1 
ATOM   479  C CE2 . PHE A 1 63  ? 23.943  -11.094 16.246  1.00 14.34  ?  307 PHE A CE2 1 
ATOM   480  C CZ  . PHE A 1 63  ? 24.145  -11.176 17.602  1.00 15.28  ?  307 PHE A CZ  1 
ATOM   481  N N   . ALA A 1 64  ? 18.335  -14.564 14.500  1.00 11.15  ?  308 ALA A N   1 
ATOM   482  C CA  . ALA A 1 64  ? 17.017  -14.914 13.984  1.00 11.17  ?  308 ALA A CA  1 
ATOM   483  C C   . ALA A 1 64  ? 16.328  -15.928 14.901  1.00 11.48  ?  308 ALA A C   1 
ATOM   484  O O   . ALA A 1 64  ? 16.934  -16.915 15.342  1.00 11.88  ?  308 ALA A O   1 
ATOM   485  C CB  . ALA A 1 64  ? 17.134  -15.459 12.564  1.00 10.61  ?  308 ALA A CB  1 
ATOM   486  N N   . PRO A 1 65  ? 15.026  -15.723 15.191  1.00 11.18  ?  309 PRO A N   1 
ATOM   487  C CA  . PRO A 1 65  ? 14.267  -16.628 16.057  1.00 10.90  ?  309 PRO A CA  1 
ATOM   488  C C   . PRO A 1 65  ? 13.801  -17.933 15.422  1.00 10.34  ?  309 PRO A C   1 
ATOM   489  O O   . PRO A 1 65  ? 13.384  -17.968 14.267  1.00 9.79   ?  309 PRO A O   1 
ATOM   490  C CB  . PRO A 1 65  ? 13.072  -15.743 16.443  1.00 11.28  ?  309 PRO A CB  1 
ATOM   491  C CG  . PRO A 1 65  ? 12.828  -14.937 15.182  1.00 10.92  ?  309 PRO A CG  1 
ATOM   492  C CD  . PRO A 1 65  ? 14.235  -14.558 14.757  1.00 10.79  ?  309 PRO A CD  1 
ATOM   493  N N   . SER A 1 66  ? 13.866  -19.000 16.223  1.00 10.34  ?  310 SER A N   1 
ATOM   494  C CA  . SER A 1 66  ? 13.170  -20.240 15.945  1.00 10.39  ?  310 SER A CA  1 
ATOM   495  C C   . SER A 1 66  ? 11.683  -19.934 15.814  1.00 10.22  ?  310 SER A C   1 
ATOM   496  O O   . SER A 1 66  ? 11.242  -18.884 16.288  1.00 10.00  ?  310 SER A O   1 
ATOM   497  C CB  . SER A 1 66  ? 13.416  -21.260 17.012  1.00 10.68  ?  310 SER A CB  1 
ATOM   498  O OG  . SER A 1 66  ? 12.756  -20.917 18.229  1.00 10.58  ?  310 SER A OG  1 
ATOM   499  N N   . ALA A 1 67  ? 10.935  -20.833 15.167  1.00 10.20  ?  311 ALA A N   1 
ATOM   500  C CA  . ALA A 1 67  ? 9.487   -20.696 15.061  1.00 10.56  ?  311 ALA A CA  1 
ATOM   501  C C   . ALA A 1 67  ? 8.863   -20.610 16.454  1.00 10.97  ?  311 ALA A C   1 
ATOM   502  O O   . ALA A 1 67  ? 8.009   -19.767 16.700  1.00 11.30  ?  311 ALA A O   1 
ATOM   503  C CB  . ALA A 1 67  ? 8.933   -21.837 14.211  1.00 10.87  ?  311 ALA A CB  1 
ATOM   504  N N   . SER A 1 68  ? 9.358   -21.421 17.398  1.00 11.32  ?  312 SER A N   1 
ATOM   505  C CA  . SER A 1 68  ? 8.857   -21.424 18.756  1.00 11.74  ?  312 SER A CA  1 
ATOM   506  C C   . SER A 1 68  ? 9.116   -20.070 19.427  1.00 11.45  ?  312 SER A C   1 
ATOM   507  O O   . SER A 1 68  ? 8.222   -19.495 20.071  1.00 10.96  ?  312 SER A O   1 
ATOM   508  C CB  . SER A 1 68  ? 9.467   -22.559 19.553  1.00 12.55  ?  312 SER A CB  1 
ATOM   509  O OG  . SER A 1 68  ? 8.893   -22.632 20.859  1.00 13.29  ?  312 SER A OG  1 
ATOM   510  N N   . ALA A 1 69  ? 10.337  -19.540 19.251  1.00 10.84  ?  313 ALA A N   1 
ATOM   511  C CA  . ALA A 1 69  ? 10.677  -18.281 19.891  1.00 10.92  ?  313 ALA A CA  1 
ATOM   512  C C   . ALA A 1 69  ? 9.979   -17.107 19.212  1.00 10.66  ?  313 ALA A C   1 
ATOM   513  O O   . ALA A 1 69  ? 9.644   -16.118 19.859  1.00 10.20  ?  313 ALA A O   1 
ATOM   514  C CB  . ALA A 1 69  ? 12.173  -18.105 19.934  1.00 10.72  ?  313 ALA A CB  1 
ATOM   515  N N   . PHE A 1 70  ? 9.782   -17.194 17.891  1.00 10.84  ?  314 PHE A N   1 
ATOM   516  C CA  . PHE A 1 70  ? 9.055   -16.130 17.209  1.00 10.64  ?  314 PHE A CA  1 
ATOM   517  C C   . PHE A 1 70  ? 7.662   -15.964 17.832  1.00 10.72  ?  314 PHE A C   1 
ATOM   518  O O   . PHE A 1 70  ? 7.221   -14.846 18.089  1.00 10.85  ?  314 PHE A O   1 
ATOM   519  C CB  . PHE A 1 70  ? 9.002   -16.442 15.720  1.00 10.28  ?  314 PHE A CB  1 
ATOM   520  C CG  . PHE A 1 70  ? 8.209   -15.398 14.957  1.00 10.28  ?  314 PHE A CG  1 
ATOM   521  C CD1 . PHE A 1 70  ? 8.796   -14.205 14.565  1.00 10.20  ?  314 PHE A CD1 1 
ATOM   522  C CD2 . PHE A 1 70  ? 6.880   -15.619 14.629  1.00 10.40  ?  314 PHE A CD2 1 
ATOM   523  C CE1 . PHE A 1 70  ? 8.053   -13.244 13.890  1.00 9.96   ?  314 PHE A CE1 1 
ATOM   524  C CE2 . PHE A 1 70  ? 6.164   -14.667 13.931  1.00 10.53  ?  314 PHE A CE2 1 
ATOM   525  C CZ  . PHE A 1 70  ? 6.766   -13.489 13.546  1.00 10.02  ?  314 PHE A CZ  1 
ATOM   526  N N   . PHE A 1 71  ? 6.956   -17.082 18.053  1.00 10.99  ?  315 PHE A N   1 
ATOM   527  C CA  . PHE A 1 71  ? 5.616   -17.054 18.633  1.00 11.50  ?  315 PHE A CA  1 
ATOM   528  C C   . PHE A 1 71  ? 5.619   -16.941 20.158  1.00 11.53  ?  315 PHE A C   1 
ATOM   529  O O   . PHE A 1 71  ? 4.613   -16.527 20.749  1.00 12.14  ?  315 PHE A O   1 
ATOM   530  C CB  . PHE A 1 71  ? 4.837   -18.268 18.117  1.00 11.80  ?  315 PHE A CB  1 
ATOM   531  C CG  . PHE A 1 71  ? 4.227   -17.966 16.758  1.00 11.61  ?  315 PHE A CG  1 
ATOM   532  C CD1 . PHE A 1 71  ? 4.736   -18.536 15.604  1.00 11.23  ?  315 PHE A CD1 1 
ATOM   533  C CD2 . PHE A 1 71  ? 3.158   -17.082 16.650  1.00 12.08  ?  315 PHE A CD2 1 
ATOM   534  C CE1 . PHE A 1 71  ? 4.213   -18.210 14.378  1.00 11.39  ?  315 PHE A CE1 1 
ATOM   535  C CE2 . PHE A 1 71  ? 2.602   -16.796 15.417  1.00 11.84  ?  315 PHE A CE2 1 
ATOM   536  C CZ  . PHE A 1 71  ? 3.151   -17.347 14.278  1.00 11.72  ?  315 PHE A CZ  1 
ATOM   537  N N   . GLY A 1 72  ? 6.750   -17.250 20.795  1.00 11.50  ?  316 GLY A N   1 
ATOM   538  C CA  . GLY A 1 72  ? 6.890   -17.147 22.247  1.00 11.97  ?  316 GLY A CA  1 
ATOM   539  C C   . GLY A 1 72  ? 7.294   -15.758 22.734  1.00 11.97  ?  316 GLY A C   1 
ATOM   540  O O   . GLY A 1 72  ? 6.818   -15.302 23.774  1.00 12.22  ?  316 GLY A O   1 
ATOM   541  N N   . MET A 1 73  ? 8.124   -15.061 21.955  1.00 12.02  ?  317 MET A N   1 
ATOM   542  C CA  . MET A 1 73  ? 8.732   -13.821 22.403  1.00 12.57  ?  317 MET A CA  1 
ATOM   543  C C   . MET A 1 73  ? 7.946   -12.624 21.874  1.00 11.70  ?  317 MET A C   1 
ATOM   544  O O   . MET A 1 73  ? 7.906   -11.601 22.532  1.00 12.32  ?  317 MET A O   1 
ATOM   545  C CB  . MET A 1 73  ? 10.174  -13.673 21.895  1.00 13.05  ?  317 MET A CB  1 
ATOM   546  C CG  . MET A 1 73  ? 11.158  -14.685 22.418  1.00 14.80  ?  317 MET A CG  1 
ATOM   547  S SD  . MET A 1 73  ? 12.833  -14.394 21.795  1.00 16.63  ?  317 MET A SD  1 
ATOM   548  C CE  . MET A 1 73  ? 12.601  -13.897 20.086  1.00 17.50  ?  317 MET A CE  1 
ATOM   549  N N   . SER A 1 74  ? 7.345   -12.741 20.684  1.00 11.36  ?  318 SER A N   1 
ATOM   550  C CA  . SER A 1 74  ? 6.848   -11.570 19.973  1.00 11.29  ?  318 SER A CA  1 
ATOM   551  C C   . SER A 1 74  ? 5.467   -11.150 20.481  1.00 12.01  ?  318 SER A C   1 
ATOM   552  O O   . SER A 1 74  ? 4.735   -11.920 21.119  1.00 11.90  ?  318 SER A O   1 
ATOM   553  C CB  . SER A 1 74  ? 6.784   -11.824 18.478  1.00 11.24  ?  318 SER A CB  1 
ATOM   554  O OG  . SER A 1 74  ? 7.975   -12.356 17.925  1.00 10.57  ?  318 SER A OG  1 
ATOM   555  N N   . ARG A 1 75  ? 5.133   -9.892  20.203  1.00 12.46  ?  319 ARG A N   1 
ATOM   556  C CA  . ARG A 1 75  ? 3.768   -9.423  20.302  1.00 13.46  ?  319 ARG A CA  1 
ATOM   557  C C   . ARG A 1 75  ? 3.093   -9.692  18.961  1.00 12.89  ?  319 ARG A C   1 
ATOM   558  O O   . ARG A 1 75  ? 3.556   -9.230  17.927  1.00 13.53  ?  319 ARG A O   1 
ATOM   559  C CB  . ARG A 1 75  ? 3.789   -7.967  20.763  1.00 14.70  ?  319 ARG A CB  1 
ATOM   560  C CG  . ARG A 1 75  ? 4.470   -7.830  22.117  1.00 15.98  ?  319 ARG A CG  1 
ATOM   561  C CD  . ARG A 1 75  ? 4.013   -6.630  22.895  1.00 17.55  ?  319 ARG A CD  1 
ATOM   562  N NE  . ARG A 1 75  ? 2.568   -6.614  23.180  1.00 18.42  ?  319 ARG A NE  1 
ATOM   563  C CZ  . ARG A 1 75  ? 1.919   -7.371  24.056  1.00 19.16  ?  319 ARG A CZ  1 
ATOM   564  N NH1 . ARG A 1 75  ? 0.610   -7.271  24.148  1.00 18.19  ?  319 ARG A NH1 1 
ATOM   565  N NH2 . ARG A 1 75  ? 2.560   -8.245  24.822  1.00 20.59  ?  319 ARG A NH2 1 
ATOM   566  N N   . ILE A 1 76  ? 2.058   -10.526 18.979  1.00 12.20  ?  320 ILE A N   1 
ATOM   567  C CA  . ILE A 1 76  ? 1.401   -10.966 17.762  1.00 11.67  ?  320 ILE A CA  1 
ATOM   568  C C   . ILE A 1 76  ? 0.026   -10.301 17.691  1.00 12.23  ?  320 ILE A C   1 
ATOM   569  O O   . ILE A 1 76  ? -0.696  -10.231 18.697  1.00 12.23  ?  320 ILE A O   1 
ATOM   570  C CB  . ILE A 1 76  ? 1.288   -12.500 17.738  1.00 11.42  ?  320 ILE A CB  1 
ATOM   571  C CG1 . ILE A 1 76  ? 2.648   -13.203 17.891  1.00 11.44  ?  320 ILE A CG1 1 
ATOM   572  C CG2 . ILE A 1 76  ? 0.579   -12.955 16.469  1.00 11.33  ?  320 ILE A CG2 1 
ATOM   573  C CD1 . ILE A 1 76  ? 3.610   -12.971 16.737  1.00 10.95  ?  320 ILE A CD1 1 
ATOM   574  N N   . GLY A 1 77  ? -0.336  -9.853  16.483  1.00 12.20  ?  321 GLY A N   1 
ATOM   575  C CA  . GLY A 1 77  ? -1.670  -9.326  16.223  1.00 12.70  ?  321 GLY A CA  1 
ATOM   576  C C   . GLY A 1 77  ? -2.182  -9.825  14.872  1.00 13.17  ?  321 GLY A C   1 
ATOM   577  O O   . GLY A 1 77  ? -1.435  -10.454 14.116  1.00 11.76  ?  321 GLY A O   1 
ATOM   578  N N   A MET A 1 78  ? -3.462  -9.546  14.618  0.50 13.69  ?  322 MET A N   1 
ATOM   579  N N   B MET A 1 78  ? -3.462  -9.562  14.569  0.50 13.69  ?  322 MET A N   1 
ATOM   580  C CA  A MET A 1 78  ? -4.066  -9.766  13.318  0.50 14.50  ?  322 MET A CA  1 
ATOM   581  C CA  B MET A 1 78  ? -4.040  -9.856  13.259  0.50 14.48  ?  322 MET A CA  1 
ATOM   582  C C   A MET A 1 78  ? -4.819  -8.507  12.903  0.50 15.37  ?  322 MET A C   1 
ATOM   583  C C   B MET A 1 78  ? -4.949  -8.707  12.812  0.50 15.33  ?  322 MET A C   1 
ATOM   584  O O   A MET A 1 78  ? -5.501  -7.870  13.711  0.50 15.51  ?  322 MET A O   1 
ATOM   585  O O   B MET A 1 78  ? -5.918  -8.385  13.497  0.50 15.72  ?  322 MET A O   1 
ATOM   586  C CB  A MET A 1 78  ? -5.025  -10.956 13.333  0.50 14.97  ?  322 MET A CB  1 
ATOM   587  C CB  B MET A 1 78  ? -4.848  -11.162 13.256  0.50 14.94  ?  322 MET A CB  1 
ATOM   588  C CG  A MET A 1 78  ? -5.622  -11.251 11.973  0.50 14.91  ?  322 MET A CG  1 
ATOM   589  C CG  B MET A 1 78  ? -4.207  -12.329 12.492  0.50 14.93  ?  322 MET A CG  1 
ATOM   590  S SD  A MET A 1 78  ? -6.680  -12.711 11.966  0.50 16.60  ?  322 MET A SD  1 
ATOM   591  S SD  B MET A 1 78  ? -5.429  -13.365 11.654  0.50 15.91  ?  322 MET A SD  1 
ATOM   592  C CE  A MET A 1 78  ? -5.647  -14.103 12.441  0.50 16.55  ?  322 MET A CE  1 
ATOM   593  C CE  B MET A 1 78  ? -6.365  -13.937 13.081  0.50 15.84  ?  322 MET A CE  1 
ATOM   594  N N   . GLU A 1 79  ? -4.641  -8.126  11.642  1.00 15.61  ?  323 GLU A N   1 
ATOM   595  C CA  . GLU A 1 79  ? -5.358  -6.997  11.063  1.00 17.28  ?  323 GLU A CA  1 
ATOM   596  C C   . GLU A 1 79  ? -5.987  -7.410  9.736   1.00 15.71  ?  323 GLU A C   1 
ATOM   597  O O   . GLU A 1 79  ? -5.306  -7.971  8.877   1.00 14.64  ?  323 GLU A O   1 
ATOM   598  C CB  . GLU A 1 79  ? -4.405  -5.855  10.701  1.00 20.96  ?  323 GLU A CB  1 
ATOM   599  C CG  . GLU A 1 79  ? -4.039  -5.012  11.913  1.00 27.32  ?  323 GLU A CG  1 
ATOM   600  C CD  . GLU A 1 79  ? -2.938  -3.998  11.673  1.00 33.49  ?  323 GLU A CD  1 
ATOM   601  O OE1 . GLU A 1 79  ? -2.849  -3.421  10.558  1.00 39.21  ?  323 GLU A OE1 1 
ATOM   602  O OE2 . GLU A 1 79  ? -2.211  -3.743  12.662  1.00 37.47  ?  323 GLU A OE2 1 
ATOM   603  N N   . VAL A 1 80  ? -7.265  -7.066  9.571   1.00 14.51  ?  324 VAL A N   1 
ATOM   604  C CA  . VAL A 1 80  ? -7.981  -7.279  8.324   1.00 14.61  ?  324 VAL A CA  1 
ATOM   605  C C   . VAL A 1 80  ? -8.076  -5.913  7.646   1.00 14.15  ?  324 VAL A C   1 
ATOM   606  O O   . VAL A 1 80  ? -8.624  -4.980  8.211   1.00 13.28  ?  324 VAL A O   1 
ATOM   607  C CB  . VAL A 1 80  ? -9.372  -7.899  8.602   1.00 15.96  ?  324 VAL A CB  1 
ATOM   608  C CG1 . VAL A 1 80  ? -10.209 -8.052  7.342   1.00 16.54  ?  324 VAL A CG1 1 
ATOM   609  C CG2 . VAL A 1 80  ? -9.286  -9.241  9.345   1.00 16.29  ?  324 VAL A CG2 1 
ATOM   610  N N   . THR A 1 81  ? -7.526  -5.791  6.442   1.00 13.04  ?  325 THR A N   1 
ATOM   611  C CA  . THR A 1 81  ? -7.552  -4.524  5.731   1.00 13.03  ?  325 THR A CA  1 
ATOM   612  C C   . THR A 1 81  ? -7.974  -4.772  4.289   1.00 12.89  ?  325 THR A C   1 
ATOM   613  O O   . THR A 1 81  ? -8.183  -5.903  3.875   1.00 13.06  ?  325 THR A O   1 
ATOM   614  C CB  . THR A 1 81  ? -6.170  -3.876  5.792   1.00 13.13  ?  325 THR A CB  1 
ATOM   615  O OG1 . THR A 1 81  ? -5.416  -4.534  4.786   1.00 12.44  ?  325 THR A OG1 1 
ATOM   616  C CG2 . THR A 1 81  ? -5.493  -3.998  7.152   1.00 13.96  ?  325 THR A CG2 1 
ATOM   617  N N   . PRO A 1 82  ? -8.084  -3.727  3.447   1.00 13.99  ?  326 PRO A N   1 
ATOM   618  C CA  . PRO A 1 82  ? -8.480  -3.955  2.056   1.00 13.56  ?  326 PRO A CA  1 
ATOM   619  C C   . PRO A 1 82  ? -7.511  -4.856  1.299   1.00 12.72  ?  326 PRO A C   1 
ATOM   620  O O   . PRO A 1 82  ? -7.888  -5.405  0.286   1.00 13.44  ?  326 PRO A O   1 
ATOM   621  C CB  . PRO A 1 82  ? -8.536  -2.525  1.479   1.00 13.95  ?  326 PRO A CB  1 
ATOM   622  C CG  . PRO A 1 82  ? -8.768  -1.642  2.676   1.00 14.03  ?  326 PRO A CG  1 
ATOM   623  C CD  . PRO A 1 82  ? -7.992  -2.296  3.810   1.00 14.41  ?  326 PRO A CD  1 
ATOM   624  N N   . SER A 1 83  ? -6.249  -4.987  1.745   1.00 12.06  ?  327 SER A N   1 
ATOM   625  C CA  . SER A 1 83  ? -5.280  -5.799  1.016   1.00 12.01  ?  327 SER A CA  1 
ATOM   626  C C   . SER A 1 83  ? -5.325  -7.261  1.464   1.00 11.90  ?  327 SER A C   1 
ATOM   627  O O   . SER A 1 83  ? -4.754  -8.128  0.815   1.00 11.65  ?  327 SER A O   1 
ATOM   628  C CB  . SER A 1 83  ? -3.884  -5.263  1.131   1.00 11.95  ?  327 SER A CB  1 
ATOM   629  O OG  . SER A 1 83  ? -3.487  -5.066  2.480   1.00 12.52  ?  327 SER A OG  1 
ATOM   630  N N   . GLY A 1 84  ? -5.961  -7.526  2.616   1.00 11.84  ?  328 GLY A N   1 
ATOM   631  C CA  . GLY A 1 84  ? -6.038  -8.880  3.126   1.00 11.46  ?  328 GLY A CA  1 
ATOM   632  C C   . GLY A 1 84  ? -5.964  -8.945  4.654   1.00 10.85  ?  328 GLY A C   1 
ATOM   633  O O   . GLY A 1 84  ? -6.211  -7.959  5.353   1.00 9.96   ?  328 GLY A O   1 
ATOM   634  N N   . THR A 1 85  ? -5.663  -10.160 5.134   1.00 10.58  ?  329 THR A N   1 
ATOM   635  C CA  . THR A 1 85  ? -5.501  -10.404 6.548   1.00 10.64  ?  329 THR A CA  1 
ATOM   636  C C   . THR A 1 85  ? -4.011  -10.578 6.845   1.00 10.27  ?  329 THR A C   1 
ATOM   637  O O   . THR A 1 85  ? -3.343  -11.396 6.203   1.00 10.30  ?  329 THR A O   1 
ATOM   638  C CB  . THR A 1 85  ? -6.321  -11.619 6.957   1.00 10.57  ?  329 THR A CB  1 
ATOM   639  O OG1 . THR A 1 85  ? -7.669  -11.341 6.596   1.00 10.84  ?  329 THR A OG1 1 
ATOM   640  C CG2 . THR A 1 85  ? -6.220  -11.865 8.453   1.00 10.69  ?  329 THR A CG2 1 
ATOM   641  N N   . TRP A 1 86  ? -3.526  -9.809  7.824   1.00 9.95   ?  330 TRP A N   1 
ATOM   642  C CA  . TRP A 1 86  ? -2.104  -9.717  8.129   1.00 10.33  ?  330 TRP A CA  1 
ATOM   643  C C   . TRP A 1 86  ? -1.824  -10.151 9.562   1.00 10.76  ?  330 TRP A C   1 
ATOM   644  O O   . TRP A 1 86  ? -2.485  -9.689  10.482  1.00 11.74  ?  330 TRP A O   1 
ATOM   645  C CB  . TRP A 1 86  ? -1.640  -8.267  7.920   1.00 10.15  ?  330 TRP A CB  1 
ATOM   646  C CG  . TRP A 1 86  ? -1.771  -7.816  6.488   1.00 10.73  ?  330 TRP A CG  1 
ATOM   647  C CD1 . TRP A 1 86  ? -2.902  -7.412  5.826   1.00 11.18  ?  330 TRP A CD1 1 
ATOM   648  C CD2 . TRP A 1 86  ? -0.704  -7.765  5.518   1.00 10.96  ?  330 TRP A CD2 1 
ATOM   649  N NE1 . TRP A 1 86  ? -2.623  -7.115  4.511   1.00 11.36  ?  330 TRP A NE1 1 
ATOM   650  C CE2 . TRP A 1 86  ? -1.274  -7.312  4.302   1.00 11.18  ?  330 TRP A CE2 1 
ATOM   651  C CE3 . TRP A 1 86  ? 0.668   -8.034  5.570   1.00 11.38  ?  330 TRP A CE3 1 
ATOM   652  C CZ2 . TRP A 1 86  ? -0.498  -7.113  3.169   1.00 11.16  ?  330 TRP A CZ2 1 
ATOM   653  C CZ3 . TRP A 1 86  ? 1.431   -7.849  4.438   1.00 11.38  ?  330 TRP A CZ3 1 
ATOM   654  C CH2 . TRP A 1 86  ? 0.849   -7.366  3.261   1.00 11.17  ?  330 TRP A CH2 1 
ATOM   655  N N   . LEU A 1 87  ? -0.842  -11.025 9.749   1.00 10.35  ?  331 LEU A N   1 
ATOM   656  C CA  . LEU A 1 87  ? -0.324  -11.322 11.066  1.00 11.01  ?  331 LEU A CA  1 
ATOM   657  C C   . LEU A 1 87  ? 0.768   -10.309 11.371  1.00 10.33  ?  331 LEU A C   1 
ATOM   658  O O   . LEU A 1 87  ? 1.804   -10.295 10.701  1.00 10.60  ?  331 LEU A O   1 
ATOM   659  C CB  . LEU A 1 87  ? 0.218   -12.746 10.992  1.00 12.26  ?  331 LEU A CB  1 
ATOM   660  C CG  . LEU A 1 87  ? 0.517   -13.446 12.313  1.00 13.84  ?  331 LEU A CG  1 
ATOM   661  C CD1 . LEU A 1 87  ? -0.738  -13.558 13.154  1.00 15.93  ?  331 LEU A CD1 1 
ATOM   662  C CD2 . LEU A 1 87  ? 1.055   -14.833 12.068  1.00 14.75  ?  331 LEU A CD2 1 
ATOM   663  N N   . THR A 1 88  ? 0.544   -9.446  12.355  1.00 10.10  ?  332 THR A N   1 
ATOM   664  C CA  . THR A 1 88  ? 1.544   -8.464  12.740  1.00 10.19  ?  332 THR A CA  1 
ATOM   665  C C   . THR A 1 88  ? 2.458   -9.022  13.836  1.00 10.14  ?  332 THR A C   1 
ATOM   666  O O   . THR A 1 88  ? 2.028   -9.813  14.690  1.00 9.27   ?  332 THR A O   1 
ATOM   667  C CB  . THR A 1 88  ? 0.850   -7.177  13.160  1.00 11.13  ?  332 THR A CB  1 
ATOM   668  O OG1 . THR A 1 88  ? 0.061   -7.443  14.314  1.00 11.11  ?  332 THR A OG1 1 
ATOM   669  C CG2 . THR A 1 88  ? -0.036  -6.643  12.044  1.00 12.12  ?  332 THR A CG2 1 
ATOM   670  N N   . TYR A 1 89  ? 3.750   -8.607  13.812  1.00 9.75   ?  333 TYR A N   1 
ATOM   671  C CA  . TYR A 1 89  ? 4.645   -9.009  14.891  1.00 9.73   ?  333 TYR A CA  1 
ATOM   672  C C   . TYR A 1 89  ? 5.554   -7.852  15.288  1.00 10.21  ?  333 TYR A C   1 
ATOM   673  O O   . TYR A 1 89  ? 5.967   -7.065  14.430  1.00 10.03  ?  333 TYR A O   1 
ATOM   674  C CB  . TYR A 1 89  ? 5.399   -10.256 14.448  1.00 9.70   ?  333 TYR A CB  1 
ATOM   675  C CG  . TYR A 1 89  ? 6.275   -10.055 13.223  1.00 9.08   ?  333 TYR A CG  1 
ATOM   676  C CD1 . TYR A 1 89  ? 5.796   -10.304 11.948  1.00 8.57   ?  333 TYR A CD1 1 
ATOM   677  C CD2 . TYR A 1 89  ? 7.598   -9.641  13.356  1.00 9.38   ?  333 TYR A CD2 1 
ATOM   678  C CE1 . TYR A 1 89  ? 6.601   -10.123 10.838  1.00 8.35   ?  333 TYR A CE1 1 
ATOM   679  C CE2 . TYR A 1 89  ? 8.425   -9.498  12.250  1.00 8.79   ?  333 TYR A CE2 1 
ATOM   680  C CZ  . TYR A 1 89  ? 7.920   -9.745  10.989  1.00 8.28   ?  333 TYR A CZ  1 
ATOM   681  O OH  . TYR A 1 89  ? 8.711   -9.581  9.888   1.00 8.09   ?  333 TYR A OH  1 
ATOM   682  N N   . THR A 1 90  ? 5.840   -7.738  16.599  1.00 10.83  ?  334 THR A N   1 
ATOM   683  C CA  . THR A 1 90  ? 6.921   -6.886  17.066  1.00 11.38  ?  334 THR A CA  1 
ATOM   684  C C   . THR A 1 90  ? 7.657   -7.638  18.164  1.00 11.08  ?  334 THR A C   1 
ATOM   685  O O   . THR A 1 90  ? 7.112   -8.531  18.815  1.00 10.24  ?  334 THR A O   1 
ATOM   686  C CB  . THR A 1 90  ? 6.456   -5.507  17.555  1.00 12.99  ?  334 THR A CB  1 
ATOM   687  O OG1 . THR A 1 90  ? 5.808   -5.730  18.812  1.00 15.83  ?  334 THR A OG1 1 
ATOM   688  C CG2 . THR A 1 90  ? 5.445   -4.848  16.630  1.00 12.94  ?  334 THR A CG2 1 
ATOM   689  N N   . GLY A 1 91  ? 8.922   -7.277  18.344  1.00 10.96  ?  335 GLY A N   1 
ATOM   690  C CA  . GLY A 1 91  ? 9.671   -7.796  19.470  1.00 11.43  ?  335 GLY A CA  1 
ATOM   691  C C   . GLY A 1 91  ? 11.075  -7.215  19.529  1.00 11.56  ?  335 GLY A C   1 
ATOM   692  O O   . GLY A 1 91  ? 11.420  -6.288  18.779  1.00 10.42  ?  335 GLY A O   1 
ATOM   693  N N   . ALA A 1 92  ? 11.851  -7.762  20.466  1.00 11.93  ?  336 ALA A N   1 
ATOM   694  C CA  . ALA A 1 92  ? 13.248  -7.398  20.611  1.00 13.30  ?  336 ALA A CA  1 
ATOM   695  C C   . ALA A 1 92  ? 14.020  -8.610  21.123  1.00 14.45  ?  336 ALA A C   1 
ATOM   696  O O   . ALA A 1 92  ? 13.543  -9.371  21.969  1.00 14.63  ?  336 ALA A O   1 
ATOM   697  C CB  . ALA A 1 92  ? 13.371  -6.194  21.521  1.00 13.98  ?  336 ALA A CB  1 
ATOM   698  N N   . ILE A 1 93  ? 15.214  -8.803  20.565  1.00 15.23  ?  337 ILE A N   1 
ATOM   699  C CA  . ILE A 1 93  ? 16.113  -9.878  20.963  1.00 15.61  ?  337 ILE A CA  1 
ATOM   700  C C   . ILE A 1 93  ? 17.339  -9.257  21.634  1.00 16.41  ?  337 ILE A C   1 
ATOM   701  O O   . ILE A 1 93  ? 17.971  -8.371  21.058  1.00 13.61  ?  337 ILE A O   1 
ATOM   702  C CB  . ILE A 1 93  ? 16.469  -10.689 19.710  1.00 16.50  ?  337 ILE A CB  1 
ATOM   703  C CG1 . ILE A 1 93  ? 15.235  -11.493 19.241  1.00 17.98  ?  337 ILE A CG1 1 
ATOM   704  C CG2 . ILE A 1 93  ? 17.681  -11.585 19.965  1.00 16.41  ?  337 ILE A CG2 1 
ATOM   705  C CD1 . ILE A 1 93  ? 15.230  -11.830 17.765  1.00 19.15  ?  337 ILE A CD1 1 
ATOM   706  N N   . LYS A 1 94  ? 17.655  -9.706  22.859  1.00 17.96  ?  338 LYS A N   1 
ATOM   707  C CA  . LYS A 1 94  ? 18.717  -9.099  23.644  1.00 19.59  ?  338 LYS A CA  1 
ATOM   708  C C   . LYS A 1 94  ? 20.066  -9.634  23.164  1.00 18.75  ?  338 LYS A C   1 
ATOM   709  O O   . LYS A 1 94  ? 20.264  -10.841 23.088  1.00 19.87  ?  338 LYS A O   1 
ATOM   710  C CB  . LYS A 1 94  ? 18.535  -9.374  25.141  1.00 22.77  ?  338 LYS A CB  1 
ATOM   711  C CG  . LYS A 1 94  ? 19.548  -8.658  26.005  1.00 26.92  ?  338 LYS A CG  1 
ATOM   712  C CD  . LYS A 1 94  ? 19.454  -8.985  27.488  1.00 32.25  ?  338 LYS A CD  1 
ATOM   713  C CE  . LYS A 1 94  ? 18.379  -8.236  28.157  1.00 37.74  ?  338 LYS A CE  1 
ATOM   714  N NZ  . LYS A 1 94  ? 18.746  -6.813  28.170  1.00 44.36  ?  338 LYS A NZ  1 
ATOM   715  N N   . LEU A 1 95  ? 20.991  -8.733  22.824  1.00 17.82  ?  339 LEU A N   1 
ATOM   716  C CA  . LEU A 1 95  ? 22.369  -9.137  22.583  1.00 18.55  ?  339 LEU A CA  1 
ATOM   717  C C   . LEU A 1 95  ? 23.035  -9.440  23.926  1.00 19.09  ?  339 LEU A C   1 
ATOM   718  O O   . LEU A 1 95  ? 22.742  -8.808  24.943  1.00 18.96  ?  339 LEU A O   1 
ATOM   719  C CB  . LEU A 1 95  ? 23.175  -8.076  21.840  1.00 19.29  ?  339 LEU A CB  1 
ATOM   720  C CG  . LEU A 1 95  ? 23.034  -8.034  20.314  1.00 20.49  ?  339 LEU A CG  1 
ATOM   721  C CD1 . LEU A 1 95  ? 21.684  -7.585  19.901  1.00 19.06  ?  339 LEU A CD1 1 
ATOM   722  C CD2 . LEU A 1 95  ? 24.096  -7.116  19.710  1.00 21.90  ?  339 LEU A CD2 1 
ATOM   723  N N   . ASP A 1 96  ? 24.014  -10.339 23.880  1.00 20.04  ?  340 ASP A N   1 
ATOM   724  C CA  . ASP A 1 96  ? 24.806  -10.692 25.047  1.00 22.19  ?  340 ASP A CA  1 
ATOM   725  C C   . ASP A 1 96  ? 26.017  -9.766  25.129  1.00 22.78  ?  340 ASP A C   1 
ATOM   726  O O   . ASP A 1 96  ? 27.011  -10.004 24.451  1.00 20.64  ?  340 ASP A O   1 
ATOM   727  C CB  . ASP A 1 96  ? 25.241  -12.145 24.942  1.00 23.68  ?  340 ASP A CB  1 
ATOM   728  C CG  . ASP A 1 96  ? 25.959  -12.684 26.174  1.00 25.79  ?  340 ASP A CG  1 
ATOM   729  O OD1 . ASP A 1 96  ? 26.137  -13.912 26.234  1.00 27.39  ?  340 ASP A OD1 1 
ATOM   730  O OD2 . ASP A 1 96  ? 26.317  -11.867 27.052  1.00 24.12  ?  340 ASP A OD2 1 
ATOM   731  N N   . ASP A 1 97  ? 25.957  -8.716  25.958  1.00 24.03  ?  341 ASP A N   1 
ATOM   732  C CA  . ASP A 1 97  ? 27.084  -7.791  26.050  1.00 28.02  ?  341 ASP A CA  1 
ATOM   733  C C   . ASP A 1 97  ? 28.284  -8.404  26.787  1.00 29.33  ?  341 ASP A C   1 
ATOM   734  O O   . ASP A 1 97  ? 29.312  -7.754  26.893  1.00 31.91  ?  341 ASP A O   1 
ATOM   735  C CB  . ASP A 1 97  ? 26.689  -6.416  26.582  1.00 30.58  ?  341 ASP A CB  1 
ATOM   736  C CG  . ASP A 1 97  ? 26.195  -6.347  28.018  1.00 35.50  ?  341 ASP A CG  1 
ATOM   737  O OD1 . ASP A 1 97  ? 25.694  -5.265  28.408  1.00 42.71  ?  341 ASP A OD1 1 
ATOM   738  O OD2 . ASP A 1 97  ? 26.320  -7.358  28.738  1.00 35.16  ?  341 ASP A OD2 1 
ATOM   739  N N   . LYS A 1 98  ? 28.178  -9.640  27.294  1.00 30.35  ?  342 LYS A N   1 
ATOM   740  C CA  . LYS A 1 98  ? 29.325  -10.336 27.862  1.00 33.41  ?  342 LYS A CA  1 
ATOM   741  C C   . LYS A 1 98  ? 30.087  -11.146 26.804  1.00 28.20  ?  342 LYS A C   1 
ATOM   742  O O   . LYS A 1 98  ? 31.207  -11.573 27.047  1.00 28.69  ?  342 LYS A O   1 
ATOM   743  C CB  . LYS A 1 98  ? 28.859  -11.270 28.982  1.00 37.75  ?  342 LYS A CB  1 
ATOM   744  C CG  . LYS A 1 98  ? 28.263  -10.556 30.177  1.00 45.32  ?  342 LYS A CG  1 
ATOM   745  C CD  . LYS A 1 98  ? 29.279  -9.710  30.936  1.00 52.13  ?  342 LYS A CD  1 
ATOM   746  C CE  . LYS A 1 98  ? 29.002  -9.701  32.414  1.00 57.98  ?  342 LYS A CE  1 
ATOM   747  N NZ  . LYS A 1 98  ? 29.886  -8.790  33.148  1.00 60.43  ?  342 LYS A NZ  1 
ATOM   748  N N   . ASP A 1 99  ? 29.484  -11.368 25.637  1.00 22.72  ?  343 ASP A N   1 
ATOM   749  C CA  . ASP A 1 99  ? 30.128  -12.111 24.563  1.00 21.16  ?  343 ASP A CA  1 
ATOM   750  C C   . ASP A 1 99  ? 31.319  -11.282 24.092  1.00 19.71  ?  343 ASP A C   1 
ATOM   751  O O   . ASP A 1 99  ? 31.153  -10.116 23.781  1.00 19.43  ?  343 ASP A O   1 
ATOM   752  C CB  . ASP A 1 99  ? 29.124  -12.421 23.459  1.00 20.68  ?  343 ASP A CB  1 
ATOM   753  C CG  . ASP A 1 99  ? 29.638  -13.298 22.325  1.00 21.02  ?  343 ASP A CG  1 
ATOM   754  O OD1 . ASP A 1 99  ? 28.796  -13.840 21.602  1.00 21.63  ?  343 ASP A OD1 1 
ATOM   755  O OD2 . ASP A 1 99  ? 30.871  -13.376 22.133  1.00 21.55  ?  343 ASP A OD2 1 
ATOM   756  N N   . PRO A 1 100 ? 32.565  -11.808 24.073  1.00 19.25  ?  344 PRO A N   1 
ATOM   757  C CA  . PRO A 1 100 ? 33.689  -11.041 23.549  1.00 19.84  ?  344 PRO A CA  1 
ATOM   758  C C   . PRO A 1 100 ? 33.447  -10.491 22.143  1.00 18.57  ?  344 PRO A C   1 
ATOM   759  O O   . PRO A 1 100 ? 34.076  -9.523  21.754  1.00 18.81  ?  344 PRO A O   1 
ATOM   760  C CB  . PRO A 1 100 ? 34.833  -12.073 23.562  1.00 19.86  ?  344 PRO A CB  1 
ATOM   761  C CG  . PRO A 1 100 ? 34.450  -13.018 24.649  1.00 20.68  ?  344 PRO A CG  1 
ATOM   762  C CD  . PRO A 1 100 ? 32.949  -13.166 24.492  1.00 19.85  ?  344 PRO A CD  1 
ATOM   763  N N   . ASN A 1 101 ? 32.592  -11.156 21.369  1.00 19.71  ?  345 ASN A N   1 
ATOM   764  C CA  . ASN A 1 101 ? 32.301  -10.763 19.990  1.00 21.55  ?  345 ASN A CA  1 
ATOM   765  C C   . ASN A 1 101 ? 31.191  -9.711  19.909  1.00 20.23  ?  345 ASN A C   1 
ATOM   766  O O   . ASN A 1 101 ? 30.771  -9.369  18.810  1.00 21.00  ?  345 ASN A O   1 
ATOM   767  C CB  . ASN A 1 101 ? 31.842  -11.953 19.156  1.00 22.40  ?  345 ASN A CB  1 
ATOM   768  C CG  . ASN A 1 101 ? 32.887  -13.042 19.106  1.00 25.34  ?  345 ASN A CG  1 
ATOM   769  O OD1 . ASN A 1 101 ? 34.026  -12.794 18.694  1.00 27.20  ?  345 ASN A OD1 1 
ATOM   770  N ND2 . ASN A 1 101 ? 32.524  -14.251 19.511  1.00 26.89  ?  345 ASN A ND2 1 
ATOM   771  N N   . PHE A 1 102 ? 30.720  -9.195  21.053  1.00 19.58  ?  346 PHE A N   1 
ATOM   772  C CA  . PHE A 1 102 ? 29.601  -8.263  21.086  1.00 18.95  ?  346 PHE A CA  1 
ATOM   773  C C   . PHE A 1 102 ? 29.847  -7.017  20.228  1.00 20.20  ?  346 PHE A C   1 
ATOM   774  O O   . PHE A 1 102 ? 28.996  -6.635  19.418  1.00 18.47  ?  346 PHE A O   1 
ATOM   775  C CB  . PHE A 1 102 ? 29.351  -7.855  22.534  1.00 19.03  ?  346 PHE A CB  1 
ATOM   776  C CG  . PHE A 1 102 ? 28.360  -6.716  22.737  1.00 20.21  ?  346 PHE A CG  1 
ATOM   777  C CD1 . PHE A 1 102 ? 28.794  -5.443  23.105  1.00 21.37  ?  346 PHE A CD1 1 
ATOM   778  C CD2 . PHE A 1 102 ? 26.993  -6.921  22.562  1.00 20.98  ?  346 PHE A CD2 1 
ATOM   779  C CE1 . PHE A 1 102 ? 27.886  -4.420  23.345  1.00 22.27  ?  346 PHE A CE1 1 
ATOM   780  C CE2 . PHE A 1 102 ? 26.094  -5.890  22.778  1.00 21.99  ?  346 PHE A CE2 1 
ATOM   781  C CZ  . PHE A 1 102 ? 26.537  -4.643  23.177  1.00 22.39  ?  346 PHE A CZ  1 
ATOM   782  N N   . LYS A 1 103 ? 30.974  -6.334  20.438  1.00 20.34  ?  347 LYS A N   1 
ATOM   783  C CA  . LYS A 1 103 ? 31.264  -5.144  19.648  1.00 23.22  ?  347 LYS A CA  1 
ATOM   784  C C   . LYS A 1 103 ? 31.129  -5.438  18.151  1.00 20.00  ?  347 LYS A C   1 
ATOM   785  O O   . LYS A 1 103 ? 30.539  -4.649  17.425  1.00 17.73  ?  347 LYS A O   1 
ATOM   786  C CB  . LYS A 1 103 ? 32.670  -4.580  19.864  1.00 26.97  ?  347 LYS A CB  1 
ATOM   787  C CG  . LYS A 1 103 ? 32.826  -3.737  21.108  1.00 34.61  ?  347 LYS A CG  1 
ATOM   788  C CD  . LYS A 1 103 ? 34.063  -2.837  21.063  1.00 38.87  ?  347 LYS A CD  1 
ATOM   789  C CE  . LYS A 1 103 ? 34.060  -1.730  22.088  1.00 43.35  ?  347 LYS A CE  1 
ATOM   790  N NZ  . LYS A 1 103 ? 34.708  -2.116  23.346  1.00 46.35  ?  347 LYS A NZ  1 
ATOM   791  N N   . ASP A 1 104 ? 31.715  -6.549  17.690  1.00 19.66  ?  348 ASP A N   1 
ATOM   792  C CA  . ASP A 1 104 ? 31.696  -6.905  16.276  1.00 20.71  ?  348 ASP A CA  1 
ATOM   793  C C   . ASP A 1 104 ? 30.278  -7.236  15.789  1.00 19.83  ?  348 ASP A C   1 
ATOM   794  O O   . ASP A 1 104 ? 29.935  -6.935  14.644  1.00 18.97  ?  348 ASP A O   1 
ATOM   795  C CB  . ASP A 1 104 ? 32.668  -8.032  15.971  1.00 21.88  ?  348 ASP A CB  1 
ATOM   796  C CG  . ASP A 1 104 ? 34.146  -7.649  16.029  1.00 24.98  ?  348 ASP A CG  1 
ATOM   797  O OD1 . ASP A 1 104 ? 34.982  -8.565  16.025  1.00 30.82  ?  348 ASP A OD1 1 
ATOM   798  O OD2 . ASP A 1 104 ? 34.457  -6.444  16.104  1.00 25.50  ?  348 ASP A OD2 1 
ATOM   799  N N   . GLN A 1 105 ? 29.456  -7.833  16.657  1.00 17.70  ?  349 GLN A N   1 
ATOM   800  C CA  . GLN A 1 105 ? 28.063  -8.086  16.330  1.00 18.15  ?  349 GLN A CA  1 
ATOM   801  C C   . GLN A 1 105 ? 27.312  -6.779  16.086  1.00 18.13  ?  349 GLN A C   1 
ATOM   802  O O   . GLN A 1 105 ? 26.498  -6.687  15.172  1.00 16.46  ?  349 GLN A O   1 
ATOM   803  C CB  . GLN A 1 105 ? 27.405  -8.882  17.455  1.00 17.88  ?  349 GLN A CB  1 
ATOM   804  C CG  . GLN A 1 105 ? 27.932  -10.303 17.555  1.00 18.74  ?  349 GLN A CG  1 
ATOM   805  C CD  . GLN A 1 105 ? 27.656  -10.956 18.890  1.00 18.77  ?  349 GLN A CD  1 
ATOM   806  O OE1 . GLN A 1 105 ? 26.990  -10.409 19.774  1.00 19.35  ?  349 GLN A OE1 1 
ATOM   807  N NE2 . GLN A 1 105 ? 28.119  -12.183 19.006  1.00 18.83  ?  349 GLN A NE2 1 
ATOM   808  N N   . VAL A 1 106 ? 27.553  -5.792  16.955  1.00 18.45  ?  350 VAL A N   1 
ATOM   809  C CA  . VAL A 1 106 ? 26.928  -4.489  16.849  1.00 19.40  ?  350 VAL A CA  1 
ATOM   810  C C   . VAL A 1 106 ? 27.391  -3.806  15.557  1.00 19.13  ?  350 VAL A C   1 
ATOM   811  O O   . VAL A 1 106 ? 26.578  -3.236  14.840  1.00 20.22  ?  350 VAL A O   1 
ATOM   812  C CB  . VAL A 1 106 ? 27.217  -3.668  18.118  1.00 20.72  ?  350 VAL A CB  1 
ATOM   813  C CG1 . VAL A 1 106 ? 26.841  -2.199  17.978  1.00 21.21  ?  350 VAL A CG1 1 
ATOM   814  C CG2 . VAL A 1 106 ? 26.526  -4.273  19.337  1.00 20.93  ?  350 VAL A CG2 1 
ATOM   815  N N   . ILE A 1 107 ? 28.673  -3.912  15.214  1.00 18.14  ?  351 ILE A N   1 
ATOM   816  C CA  . ILE A 1 107 ? 29.148  -3.299  13.983  1.00 18.97  ?  351 ILE A CA  1 
ATOM   817  C C   . ILE A 1 107 ? 28.467  -3.946  12.765  1.00 16.91  ?  351 ILE A C   1 
ATOM   818  O O   . ILE A 1 107 ? 28.052  -3.248  11.850  1.00 14.90  ?  351 ILE A O   1 
ATOM   819  C CB  . ILE A 1 107 ? 30.684  -3.381  13.884  1.00 20.66  ?  351 ILE A CB  1 
ATOM   820  C CG1 . ILE A 1 107 ? 31.384  -2.512  14.947  1.00 23.94  ?  351 ILE A CG1 1 
ATOM   821  C CG2 . ILE A 1 107 ? 31.171  -3.008  12.486  1.00 20.85  ?  351 ILE A CG2 1 
ATOM   822  C CD1 . ILE A 1 107 ? 32.884  -2.786  15.070  1.00 23.75  ?  351 ILE A CD1 1 
ATOM   823  N N   . LEU A 1 108 ? 28.386  -5.278  12.745  1.00 16.30  ?  352 LEU A N   1 
ATOM   824  C CA  . LEU A 1 108 ? 27.784  -6.016  11.636  1.00 16.47  ?  352 LEU A CA  1 
ATOM   825  C C   . LEU A 1 108 ? 26.295  -5.674  11.472  1.00 15.62  ?  352 LEU A C   1 
ATOM   826  O O   . LEU A 1 108 ? 25.864  -5.352  10.361  1.00 15.96  ?  352 LEU A O   1 
ATOM   827  C CB  . LEU A 1 108 ? 28.034  -7.510  11.859  1.00 16.80  ?  352 LEU A CB  1 
ATOM   828  C CG  . LEU A 1 108 ? 27.367  -8.488  10.888  1.00 17.33  ?  352 LEU A CG  1 
ATOM   829  C CD1 . LEU A 1 108 ? 27.935  -8.349  9.500   1.00 17.63  ?  352 LEU A CD1 1 
ATOM   830  C CD2 . LEU A 1 108 ? 27.505  -9.927  11.389  1.00 17.69  ?  352 LEU A CD2 1 
ATOM   831  N N   . LEU A 1 109 ? 25.522  -5.700  12.561  1.00 13.93  ?  353 LEU A N   1 
ATOM   832  C CA  . LEU A 1 109 ? 24.126  -5.314  12.510  1.00 15.57  ?  353 LEU A CA  1 
ATOM   833  C C   . LEU A 1 109 ? 23.975  -3.871  12.017  1.00 16.32  ?  353 LEU A C   1 
ATOM   834  O O   . LEU A 1 109 ? 23.210  -3.593  11.089  1.00 16.13  ?  353 LEU A O   1 
ATOM   835  C CB  . LEU A 1 109 ? 23.446  -5.571  13.854  1.00 15.24  ?  353 LEU A CB  1 
ATOM   836  C CG  . LEU A 1 109 ? 23.323  -7.053  14.223  1.00 14.51  ?  353 LEU A CG  1 
ATOM   837  C CD1 . LEU A 1 109 ? 22.917  -7.212  15.674  1.00 14.66  ?  353 LEU A CD1 1 
ATOM   838  C CD2 . LEU A 1 109 ? 22.365  -7.826  13.335  1.00 14.68  ?  353 LEU A CD2 1 
ATOM   839  N N   . ASN A 1 110 ? 24.767  -2.958  12.569  1.00 18.42  ?  354 ASN A N   1 
ATOM   840  C CA  . ASN A 1 110 ? 24.619  -1.556  12.225  1.00 19.46  ?  354 ASN A CA  1 
ATOM   841  C C   . ASN A 1 110 ? 24.949  -1.338  10.755  1.00 17.79  ?  354 ASN A C   1 
ATOM   842  O O   . ASN A 1 110 ? 24.372  -0.451  10.121  1.00 17.80  ?  354 ASN A O   1 
ATOM   843  C CB  . ASN A 1 110 ? 25.453  -0.654  13.122  1.00 21.47  ?  354 ASN A CB  1 
ATOM   844  C CG  . ASN A 1 110 ? 24.729  -0.309  14.400  1.00 24.65  ?  354 ASN A CG  1 
ATOM   845  O OD1 . ASN A 1 110 ? 23.491  -0.374  14.482  1.00 27.13  ?  354 ASN A OD1 1 
ATOM   846  N ND2 . ASN A 1 110 ? 25.489  0.065   15.413  1.00 27.29  ?  354 ASN A ND2 1 
ATOM   847  N N   . LYS A 1 111 ? 25.881  -2.139  10.238  1.00 16.92  ?  355 LYS A N   1 
ATOM   848  C CA  . LYS A 1 111 ? 26.277  -2.037  8.848   1.00 18.25  ?  355 LYS A CA  1 
ATOM   849  C C   . LYS A 1 111 ? 25.110  -2.350  7.896   1.00 14.69  ?  355 LYS A C   1 
ATOM   850  O O   . LYS A 1 111 ? 25.108  -1.866  6.768   1.00 13.59  ?  355 LYS A O   1 
ATOM   851  C CB  . LYS A 1 111 ? 27.487  -2.939  8.595   1.00 22.47  ?  355 LYS A CB  1 
ATOM   852  C CG  . LYS A 1 111 ? 27.889  -3.099  7.145   1.00 26.92  ?  355 LYS A CG  1 
ATOM   853  C CD  . LYS A 1 111 ? 29.261  -3.732  6.910   1.00 33.21  ?  355 LYS A CD  1 
ATOM   854  C CE  . LYS A 1 111 ? 29.248  -5.231  7.014   1.00 36.83  ?  355 LYS A CE  1 
ATOM   855  N NZ  . LYS A 1 111 ? 30.535  -5.850  6.674   1.00 40.47  ?  355 LYS A NZ  1 
ATOM   856  N N   . HIS A 1 112 ? 24.136  -3.155  8.328   1.00 12.30  ?  356 HIS A N   1 
ATOM   857  C CA  . HIS A 1 112 ? 23.037  -3.577  7.454   1.00 10.94  ?  356 HIS A CA  1 
ATOM   858  C C   . HIS A 1 112 ? 21.751  -2.791  7.710   1.00 10.55  ?  356 HIS A C   1 
ATOM   859  O O   . HIS A 1 112 ? 20.977  -2.556  6.772   1.00 10.51  ?  356 HIS A O   1 
ATOM   860  C CB  . HIS A 1 112 ? 22.833  -5.092  7.568   1.00 10.26  ?  356 HIS A CB  1 
ATOM   861  C CG  . HIS A 1 112 ? 23.960  -5.865  6.984   1.00 9.88   ?  356 HIS A CG  1 
ATOM   862  N ND1 . HIS A 1 112 ? 24.184  -5.909  5.626   1.00 9.26   ?  356 HIS A ND1 1 
ATOM   863  C CD2 . HIS A 1 112 ? 24.976  -6.534  7.559   1.00 9.51   ?  356 HIS A CD2 1 
ATOM   864  C CE1 . HIS A 1 112 ? 25.269  -6.622  5.393   1.00 9.48   ?  356 HIS A CE1 1 
ATOM   865  N NE2 . HIS A 1 112 ? 25.770  -7.014  6.564   1.00 9.23   ?  356 HIS A NE2 1 
ATOM   866  N N   . ILE A 1 113 ? 21.554  -2.329  8.951   1.00 10.66  ?  357 ILE A N   1 
ATOM   867  C CA  . ILE A 1 113 ? 20.403  -1.521  9.325   1.00 11.16  ?  357 ILE A CA  1 
ATOM   868  C C   . ILE A 1 113 ? 20.449  -0.195  8.559   1.00 11.25  ?  357 ILE A C   1 
ATOM   869  O O   . ILE A 1 113 ? 21.348  0.617   8.771   1.00 10.66  ?  357 ILE A O   1 
ATOM   870  C CB  . ILE A 1 113 ? 20.297  -1.315  10.849  1.00 11.72  ?  357 ILE A CB  1 
ATOM   871  C CG1 . ILE A 1 113 ? 20.015  -2.629  11.578  1.00 12.26  ?  357 ILE A CG1 1 
ATOM   872  C CG2 . ILE A 1 113 ? 19.212  -0.280  11.190  1.00 12.16  ?  357 ILE A CG2 1 
ATOM   873  C CD1 . ILE A 1 113 ? 20.189  -2.560  13.090  1.00 12.96  ?  357 ILE A CD1 1 
ATOM   874  N N   . ASP A 1 114 ? 19.455  -0.005  7.677   1.00 11.07  ?  358 ASP A N   1 
ATOM   875  C CA  . ASP A 1 114 ? 19.246  1.235   6.938   1.00 10.64  ?  358 ASP A CA  1 
ATOM   876  C C   . ASP A 1 114 ? 20.398  1.548   5.986   1.00 10.40  ?  358 ASP A C   1 
ATOM   877  O O   . ASP A 1 114 ? 20.556  2.695   5.565   1.00 11.03  ?  358 ASP A O   1 
ATOM   878  C CB  . ASP A 1 114 ? 19.008  2.403   7.880   1.00 11.08  ?  358 ASP A CB  1 
ATOM   879  C CG  . ASP A 1 114 ? 17.631  2.499   8.507   1.00 11.38  ?  358 ASP A CG  1 
ATOM   880  O OD1 . ASP A 1 114 ? 16.699  1.854   8.023   1.00 11.61  ?  358 ASP A OD1 1 
ATOM   881  O OD2 . ASP A 1 114 ? 17.493  3.264   9.457   1.00 13.35  ?  358 ASP A OD2 1 
ATOM   882  N N   . ALA A 1 115 ? 21.143  0.530   5.559   1.00 10.07  ?  359 ALA A N   1 
ATOM   883  C CA  . ALA A 1 115 ? 22.255  0.753   4.644   1.00 10.45  ?  359 ALA A CA  1 
ATOM   884  C C   . ALA A 1 115 ? 21.756  1.273   3.287   1.00 10.17  ?  359 ALA A C   1 
ATOM   885  O O   . ALA A 1 115 ? 22.471  2.050   2.638   1.00 9.69   ?  359 ALA A O   1 
ATOM   886  C CB  . ALA A 1 115 ? 23.065  -0.514  4.499   1.00 10.22  ?  359 ALA A CB  1 
ATOM   887  N N   . TYR A 1 116 ? 20.521  0.883   2.910   1.00 10.17  ?  360 TYR A N   1 
ATOM   888  C CA  . TYR A 1 116 ? 19.949  1.198   1.603   1.00 10.38  ?  360 TYR A CA  1 
ATOM   889  C C   . TYR A 1 116 ? 19.946  2.712   1.375   1.00 10.83  ?  360 TYR A C   1 
ATOM   890  O O   . TYR A 1 116 ? 19.876  3.188   0.241   1.00 10.66  ?  360 TYR A O   1 
ATOM   891  C CB  . TYR A 1 116 ? 18.533  0.628   1.454   1.00 10.27  ?  360 TYR A CB  1 
ATOM   892  C CG  . TYR A 1 116 ? 17.525  1.421   2.259   1.00 10.67  ?  360 TYR A CG  1 
ATOM   893  C CD1 . TYR A 1 116 ? 16.864  2.510   1.703   1.00 11.62  ?  360 TYR A CD1 1 
ATOM   894  C CD2 . TYR A 1 116 ? 17.286  1.135   3.597   1.00 10.47  ?  360 TYR A CD2 1 
ATOM   895  C CE1 . TYR A 1 116 ? 16.022  3.313   2.459   1.00 11.63  ?  360 TYR A CE1 1 
ATOM   896  C CE2 . TYR A 1 116 ? 16.416  1.901   4.347   1.00 10.77  ?  360 TYR A CE2 1 
ATOM   897  C CZ  . TYR A 1 116 ? 15.783  2.996   3.779   1.00 11.35  ?  360 TYR A CZ  1 
ATOM   898  O OH  . TYR A 1 116 ? 14.927  3.784   4.490   1.00 12.35  ?  360 TYR A OH  1 
ATOM   899  N N   . LYS A 1 117 ? 20.007  3.487   2.452   1.00 11.53  ?  361 LYS A N   1 
ATOM   900  C CA  . LYS A 1 117 ? 19.935  4.932   2.327   1.00 12.61  ?  361 LYS A CA  1 
ATOM   901  C C   . LYS A 1 117 ? 21.114  5.496   1.542   1.00 13.11  ?  361 LYS A C   1 
ATOM   902  O O   . LYS A 1 117 ? 20.991  6.591   0.992   1.00 12.89  ?  361 LYS A O   1 
ATOM   903  C CB  . LYS A 1 117 ? 19.885  5.611   3.696   1.00 13.67  ?  361 LYS A CB  1 
ATOM   904  C CG  . LYS A 1 117 ? 18.528  5.506   4.358   1.00 15.13  ?  361 LYS A CG  1 
ATOM   905  C CD  . LYS A 1 117 ? 18.483  6.273   5.672   1.00 17.29  ?  361 LYS A CD  1 
ATOM   906  C CE  . LYS A 1 117 ? 17.212  5.981   6.376   1.00 18.58  ?  361 LYS A CE  1 
ATOM   907  N NZ  . LYS A 1 117 ? 17.255  6.693   7.654   1.00 20.92  ?  361 LYS A NZ  1 
ATOM   908  N N   . THR A 1 118 ? 22.237  4.758   1.501   1.00 13.15  ?  362 THR A N   1 
ATOM   909  C CA  . THR A 1 118 ? 23.492  5.275   0.963   1.00 13.57  ?  362 THR A CA  1 
ATOM   910  C C   . THR A 1 118 ? 23.707  4.851   -0.493  1.00 13.51  ?  362 THR A C   1 
ATOM   911  O O   . THR A 1 118 ? 24.730  5.181   -1.073  1.00 13.84  ?  362 THR A O   1 
ATOM   912  C CB  . THR A 1 118 ? 24.654  4.827   1.850   1.00 14.36  ?  362 THR A CB  1 
ATOM   913  O OG1 . THR A 1 118 ? 24.741  3.408   1.708   1.00 14.42  ?  362 THR A OG1 1 
ATOM   914  C CG2 . THR A 1 118 ? 24.457  5.194   3.313   1.00 14.73  ?  362 THR A CG2 1 
ATOM   915  N N   . PHE A 1 119 ? 22.756  4.095   -1.051  1.00 12.75  ?  363 PHE A N   1 
ATOM   916  C CA  . PHE A 1 119 ? 22.914  3.594   -2.446  1.00 12.59  ?  363 PHE A CA  1 
ATOM   917  C C   . PHE A 1 119 ? 21.541  3.474   -3.112  1.00 12.09  ?  363 PHE A C   1 
ATOM   918  O O   . PHE A 1 119 ? 20.553  3.126   -2.439  1.00 11.71  ?  363 PHE A O   1 
ATOM   919  C CB  . PHE A 1 119 ? 23.686  2.268   -2.466  1.00 13.04  ?  363 PHE A CB  1 
ATOM   920  C CG  . PHE A 1 119 ? 23.173  1.154   -1.564  1.00 12.46  ?  363 PHE A CG  1 
ATOM   921  C CD1 . PHE A 1 119 ? 23.795  0.876   -0.352  1.00 12.27  ?  363 PHE A CD1 1 
ATOM   922  C CD2 . PHE A 1 119 ? 22.095  0.362   -1.944  1.00 12.24  ?  363 PHE A CD2 1 
ATOM   923  C CE1 . PHE A 1 119 ? 23.339  -0.150  0.460   1.00 12.25  ?  363 PHE A CE1 1 
ATOM   924  C CE2 . PHE A 1 119 ? 21.640  -0.659  -1.125  1.00 11.76  ?  363 PHE A CE2 1 
ATOM   925  C CZ  . PHE A 1 119 ? 22.265  -0.914  0.074   1.00 11.81  ?  363 PHE A CZ  1 
ATOM   926  N N   . PRO A 1 120 ? 21.426  3.752   -4.429  1.00 11.93  ?  364 PRO A N   1 
ATOM   927  C CA  . PRO A 1 120 ? 20.158  3.584   -5.125  1.00 11.73  ?  364 PRO A CA  1 
ATOM   928  C C   . PRO A 1 120 ? 19.533  2.233   -4.805  1.00 10.82  ?  364 PRO A C   1 
ATOM   929  O O   . PRO A 1 120 ? 20.217  1.219   -5.050  1.00 10.93  ?  364 PRO A O   1 
ATOM   930  C CB  . PRO A 1 120 ? 20.567  3.702   -6.599  1.00 12.18  ?  364 PRO A CB  1 
ATOM   931  C CG  . PRO A 1 120 ? 21.780  4.604   -6.567  1.00 12.66  ?  364 PRO A CG  1 
ATOM   932  C CD  . PRO A 1 120 ? 22.498  4.249   -5.276  1.00 12.49  ?  364 PRO A CD  1 
ATOM   933  N N   . LYS B 1 13  ? -17.343 19.317  3.460   1.00 31.29  ?  257 LYS C N   1 
ATOM   934  C CA  . LYS B 1 13  ? -16.116 19.398  2.611   1.00 28.83  ?  257 LYS C CA  1 
ATOM   935  C C   . LYS B 1 13  ? -16.243 18.417  1.442   1.00 25.30  ?  257 LYS C C   1 
ATOM   936  O O   . LYS B 1 13  ? -15.852 17.251  1.514   1.00 22.11  ?  257 LYS C O   1 
ATOM   937  C CB  . LYS B 1 13  ? -14.830 19.172  3.411   1.00 30.51  ?  257 LYS C CB  1 
ATOM   938  C CG  . LYS B 1 13  ? -14.615 20.222  4.498   1.00 35.67  ?  257 LYS C CG  1 
ATOM   939  C CD  . LYS B 1 13  ? -13.482 19.919  5.467   1.00 38.50  ?  257 LYS C CD  1 
ATOM   940  C CE  . LYS B 1 13  ? -13.756 18.707  6.295   1.00 41.63  ?  257 LYS C CE  1 
ATOM   941  N NZ  . LYS B 1 13  ? -12.692 18.503  7.277   1.00 46.99  ?  257 LYS C NZ  1 
ATOM   942  N N   . PRO B 1 14  ? -16.795 18.876  0.305   1.00 22.70  ?  258 PRO C N   1 
ATOM   943  C CA  . PRO B 1 14  ? -17.043 17.997  -0.844  1.00 20.69  ?  258 PRO C CA  1 
ATOM   944  C C   . PRO B 1 14  ? -15.785 17.192  -1.192  1.00 17.31  ?  258 PRO C C   1 
ATOM   945  O O   . PRO B 1 14  ? -14.694 17.762  -1.365  1.00 15.72  ?  258 PRO C O   1 
ATOM   946  C CB  . PRO B 1 14  ? -17.410 18.989  -1.950  1.00 21.89  ?  258 PRO C CB  1 
ATOM   947  C CG  . PRO B 1 14  ? -17.964 20.197  -1.214  1.00 22.98  ?  258 PRO C CG  1 
ATOM   948  C CD  . PRO B 1 14  ? -17.135 20.286  0.055   1.00 24.40  ?  258 PRO C CD  1 
ATOM   949  N N   . ARG B 1 15  ? -15.902 15.866  -1.188  1.00 14.70  ?  259 ARG C N   1 
ATOM   950  C CA  . ARG B 1 15  ? -14.707 14.996  -1.397  1.00 14.78  ?  259 ARG C CA  1 
ATOM   951  C C   . ARG B 1 15  ? -13.881 15.415  -2.625  1.00 13.55  ?  259 ARG C C   1 
ATOM   952  O O   . ARG B 1 15  ? -12.660 15.489  -2.499  1.00 12.90  ?  259 ARG C O   1 
ATOM   953  C CB  . ARG B 1 15  ? -15.129 13.532  -1.531  1.00 16.24  ?  259 ARG C CB  1 
ATOM   954  C CG  . ARG B 1 15  ? -14.051 12.469  -1.418  1.00 17.55  ?  259 ARG C CG  1 
ATOM   955  C CD  . ARG B 1 15  ? -14.664 11.084  -1.519  1.00 17.97  ?  259 ARG C CD  1 
ATOM   956  N NE  . ARG B 1 15  ? -13.657 10.035  -1.348  1.00 20.36  ?  259 ARG C NE  1 
ATOM   957  C CZ  . ARG B 1 15  ? -13.478 9.009   -2.163  1.00 19.65  ?  259 ARG C CZ  1 
ATOM   958  N NH1 . ARG B 1 15  ? -14.300 8.805   -3.173  1.00 20.14  ?  259 ARG C NH1 1 
ATOM   959  N NH2 . ARG B 1 15  ? -12.476 8.185   -1.967  1.00 18.58  ?  259 ARG C NH2 1 
ATOM   960  N N   . GLN B 1 16  ? -14.547 15.733  -3.732  1.00 12.65  ?  260 GLN C N   1 
ATOM   961  C CA  . GLN B 1 16  ? -13.876 16.040  -4.993  1.00 12.39  ?  260 GLN C CA  1 
ATOM   962  C C   . GLN B 1 16  ? -12.985 17.284  -4.904  1.00 12.81  ?  260 GLN C C   1 
ATOM   963  O O   . GLN B 1 16  ? -12.083 17.451  -5.725  1.00 12.91  ?  260 GLN C O   1 
ATOM   964  C CB  . GLN B 1 16  ? -14.831 16.215  -6.186  1.00 12.12  ?  260 GLN C CB  1 
ATOM   965  C CG  . GLN B 1 16  ? -15.835 17.356  -6.077  1.00 11.91  ?  260 GLN C CG  1 
ATOM   966  C CD  . GLN B 1 16  ? -17.096 16.977  -5.334  1.00 11.69  ?  260 GLN C CD  1 
ATOM   967  O OE1 . GLN B 1 16  ? -17.130 16.013  -4.557  1.00 11.64  ?  260 GLN C OE1 1 
ATOM   968  N NE2 . GLN B 1 16  ? -18.155 17.723  -5.575  1.00 11.17  ?  260 GLN C NE2 1 
ATOM   969  N N   . LYS B 1 17  ? -13.207 18.166  -3.917  1.00 12.96  ?  261 LYS C N   1 
ATOM   970  C CA  . LYS B 1 17  ? -12.382 19.359  -3.795  1.00 13.04  ?  261 LYS C CA  1 
ATOM   971  C C   . LYS B 1 17  ? -11.310 19.211  -2.719  1.00 13.74  ?  261 LYS C C   1 
ATOM   972  O O   . LYS B 1 17  ? -10.488 20.104  -2.517  1.00 15.00  ?  261 LYS C O   1 
ATOM   973  C CB  . LYS B 1 17  ? -13.259 20.583  -3.563  1.00 13.26  ?  261 LYS C CB  1 
ATOM   974  C CG  . LYS B 1 17  ? -14.233 20.869  -4.711  1.00 13.42  ?  261 LYS C CG  1 
ATOM   975  C CD  . LYS B 1 17  ? -13.543 21.080  -6.052  1.00 12.99  ?  261 LYS C CD  1 
ATOM   976  C CE  . LYS B 1 17  ? -14.469 21.741  -7.016  1.00 13.14  ?  261 LYS C CE  1 
ATOM   977  N NZ  . LYS B 1 17  ? -13.906 21.831  -8.359  1.00 12.57  ?  261 LYS C NZ  1 
ATOM   978  N N   . ARG B 1 18  ? -11.269 18.077  -2.031  1.00 14.09  ?  262 ARG C N   1 
ATOM   979  C CA  . ARG B 1 18  ? -10.249 17.936  -1.001  1.00 13.59  ?  262 ARG C CA  1 
ATOM   980  C C   . ARG B 1 18  ? -8.863  17.903  -1.619  1.00 12.77  ?  262 ARG C C   1 
ATOM   981  O O   . ARG B 1 18  ? -8.682  17.513  -2.762  1.00 12.43  ?  262 ARG C O   1 
ATOM   982  C CB  . ARG B 1 18  ? -10.494 16.713  -0.131  1.00 13.70  ?  262 ARG C CB  1 
ATOM   983  C CG  . ARG B 1 18  ? -11.814 16.894  0.597   1.00 13.90  ?  262 ARG C CG  1 
ATOM   984  C CD  . ARG B 1 18  ? -12.129 15.602  1.314   1.00 14.60  ?  262 ARG C CD  1 
ATOM   985  N NE  . ARG B 1 18  ? -13.443 15.687  1.931   1.00 14.97  ?  262 ARG C NE  1 
ATOM   986  C CZ  . ARG B 1 18  ? -13.963 14.759  2.692   1.00 15.94  ?  262 ARG C CZ  1 
ATOM   987  N NH1 . ARG B 1 18  ? -13.365 13.586  2.840   1.00 15.51  ?  262 ARG C NH1 1 
ATOM   988  N NH2 . ARG B 1 18  ? -15.132 15.005  3.251   1.00 17.26  ?  262 ARG C NH2 1 
ATOM   989  N N   . THR B 1 19  ? -7.882  18.359  -0.855  1.00 12.74  ?  263 THR C N   1 
ATOM   990  C CA  . THR B 1 19  ? -6.498  18.208  -1.256  1.00 13.44  ?  263 THR C CA  1 
ATOM   991  C C   . THR B 1 19  ? -5.723  17.638  -0.075  1.00 13.73  ?  263 THR C C   1 
ATOM   992  O O   . THR B 1 19  ? -5.668  18.263  0.995   1.00 13.59  ?  263 THR C O   1 
ATOM   993  C CB  . THR B 1 19  ? -5.879  19.526  -1.709  1.00 14.04  ?  263 THR C CB  1 
ATOM   994  O OG1 . THR B 1 19  ? -6.503  19.991  -2.895  1.00 14.23  ?  263 THR C OG1 1 
ATOM   995  C CG2 . THR B 1 19  ? -4.405  19.342  -1.985  1.00 14.46  ?  263 THR C CG2 1 
ATOM   996  N N   . ALA B 1 20  ? -5.111  16.470  -0.310  1.00 12.87  ?  264 ALA C N   1 
ATOM   997  C CA  . ALA B 1 20  ? -4.328  15.810  0.715   1.00 12.96  ?  264 ALA C CA  1 
ATOM   998  C C   . ALA B 1 20  ? -2.954  16.473  0.835   1.00 13.73  ?  264 ALA C C   1 
ATOM   999  O O   . ALA B 1 20  ? -2.381  16.967  -0.141  1.00 12.59  ?  264 ALA C O   1 
ATOM   1000 C CB  . ALA B 1 20  ? -4.225  14.331  0.450   1.00 12.17  ?  264 ALA C CB  1 
ATOM   1001 N N   . THR B 1 21  ? -2.465  16.497  2.078   1.00 15.09  ?  265 THR C N   1 
ATOM   1002 C CA  . THR B 1 21  ? -1.181  17.063  2.445   1.00 16.36  ?  265 THR C CA  1 
ATOM   1003 C C   . THR B 1 21  ? -0.638  16.220  3.593   1.00 17.74  ?  265 THR C C   1 
ATOM   1004 O O   . THR B 1 21  ? -1.334  15.348  4.089   1.00 16.46  ?  265 THR C O   1 
ATOM   1005 C CB  . THR B 1 21  ? -1.320  18.528  2.867   1.00 17.30  ?  265 THR C CB  1 
ATOM   1006 O OG1 . THR B 1 21  ? -1.896  18.570  4.168   1.00 18.18  ?  265 THR C OG1 1 
ATOM   1007 C CG2 . THR B 1 21  ? -2.138  19.372  1.910   1.00 18.04  ?  265 THR C CG2 1 
ATOM   1008 N N   . LYS B 1 22  ? 0.574   16.505  4.064   1.00 20.19  ?  266 LYS C N   1 
ATOM   1009 C CA  . LYS B 1 22  ? 1.079   15.798  5.237   1.00 25.19  ?  266 LYS C CA  1 
ATOM   1010 C C   . LYS B 1 22  ? 0.110   15.948  6.411   1.00 23.31  ?  266 LYS C C   1 
ATOM   1011 O O   . LYS B 1 22  ? 0.005   15.045  7.231   1.00 23.11  ?  266 LYS C O   1 
ATOM   1012 C CB  . LYS B 1 22  ? 2.419   16.319  5.781   1.00 31.40  ?  266 LYS C CB  1 
ATOM   1013 C CG  . LYS B 1 22  ? 3.625   16.205  4.866   1.00 39.71  ?  266 LYS C CG  1 
ATOM   1014 C CD  . LYS B 1 22  ? 4.968   16.481  5.546   1.00 46.36  ?  266 LYS C CD  1 
ATOM   1015 C CE  . LYS B 1 22  ? 6.151   16.290  4.628   1.00 51.16  ?  266 LYS C CE  1 
ATOM   1016 N NZ  . LYS B 1 22  ? 7.379   15.968  5.367   1.00 54.38  ?  266 LYS C NZ  1 
ATOM   1017 N N   . ALA B 1 23  ? -0.544  17.109  6.508   1.00 23.97  ?  267 ALA C N   1 
ATOM   1018 C CA  . ALA B 1 23  ? -1.393  17.444  7.642   1.00 25.02  ?  267 ALA C CA  1 
ATOM   1019 C C   . ALA B 1 23  ? -2.795  16.849  7.498   1.00 25.63  ?  267 ALA C C   1 
ATOM   1020 O O   . ALA B 1 23  ? -3.559  16.845  8.453   1.00 28.61  ?  267 ALA C O   1 
ATOM   1021 C CB  . ALA B 1 23  ? -1.457  18.947  7.776   1.00 26.49  ?  267 ALA C CB  1 
ATOM   1022 N N   . TYR B 1 24  ? -3.141  16.347  6.305   1.00 24.03  ?  268 TYR C N   1 
ATOM   1023 C CA  . TYR B 1 24  ? -4.470  15.823  6.024   1.00 20.21  ?  268 TYR C CA  1 
ATOM   1024 C C   . TYR B 1 24  ? -4.358  14.892  4.823   1.00 17.20  ?  268 TYR C C   1 
ATOM   1025 O O   . TYR B 1 24  ? -4.450  15.349  3.694   1.00 14.29  ?  268 TYR C O   1 
ATOM   1026 C CB  . TYR B 1 24  ? -5.392  17.016  5.778   1.00 20.95  ?  268 TYR C CB  1 
ATOM   1027 C CG  . TYR B 1 24  ? -6.811  16.693  5.342   1.00 20.50  ?  268 TYR C CG  1 
ATOM   1028 C CD1 . TYR B 1 24  ? -7.726  16.137  6.226   1.00 22.13  ?  268 TYR C CD1 1 
ATOM   1029 C CD2 . TYR B 1 24  ? -7.257  17.004  4.060   1.00 20.20  ?  268 TYR C CD2 1 
ATOM   1030 C CE1 . TYR B 1 24  ? -9.031  15.851  5.840   1.00 21.84  ?  268 TYR C CE1 1 
ATOM   1031 C CE2 . TYR B 1 24  ? -8.552  16.733  3.664   1.00 20.85  ?  268 TYR C CE2 1 
ATOM   1032 C CZ  . TYR B 1 24  ? -9.449  16.159  4.554   1.00 22.56  ?  268 TYR C CZ  1 
ATOM   1033 O OH  . TYR B 1 24  ? -10.749 15.926  4.172   1.00 23.14  ?  268 TYR C OH  1 
ATOM   1034 N N   . ASN B 1 25  ? -4.086  13.618  5.118   1.00 16.27  ?  269 ASN C N   1 
ATOM   1035 C CA  . ASN B 1 25  ? -3.412  12.690  4.226   1.00 16.02  ?  269 ASN C CA  1 
ATOM   1036 C C   . ASN B 1 25  ? -4.447  11.968  3.364   1.00 15.11  ?  269 ASN C C   1 
ATOM   1037 O O   . ASN B 1 25  ? -5.634  12.240  3.456   1.00 14.44  ?  269 ASN C O   1 
ATOM   1038 C CB  . ASN B 1 25  ? -2.482  11.774  5.011   1.00 17.03  ?  269 ASN C CB  1 
ATOM   1039 C CG  . ASN B 1 25  ? -3.205  10.748  5.853   1.00 18.09  ?  269 ASN C CG  1 
ATOM   1040 O OD1 . ASN B 1 25  ? -4.325  10.351  5.547   1.00 18.66  ?  269 ASN C OD1 1 
ATOM   1041 N ND2 . ASN B 1 25  ? -2.554  10.240  6.885   1.00 19.88  ?  269 ASN C ND2 1 
ATOM   1042 N N   . VAL B 1 26  ? -3.973  11.117  2.455   1.00 14.61  ?  270 VAL C N   1 
ATOM   1043 C CA  . VAL B 1 26  ? -4.841  10.565  1.433   1.00 14.69  ?  270 VAL C CA  1 
ATOM   1044 C C   . VAL B 1 26  ? -5.919  9.706   2.092   1.00 15.73  ?  270 VAL C C   1 
ATOM   1045 O O   . VAL B 1 26  ? -7.073  9.774   1.689   1.00 14.67  ?  270 VAL C O   1 
ATOM   1046 C CB  . VAL B 1 26  ? -4.014  9.815   0.375   1.00 13.83  ?  270 VAL C CB  1 
ATOM   1047 C CG1 . VAL B 1 26  ? -4.873  9.000   -0.560  1.00 13.55  ?  270 VAL C CG1 1 
ATOM   1048 C CG2 . VAL B 1 26  ? -3.130  10.788  -0.405  1.00 13.74  ?  270 VAL C CG2 1 
ATOM   1049 N N   . THR B 1 27  ? -5.553  8.952   3.139   1.00 16.76  ?  271 THR C N   1 
ATOM   1050 C CA  . THR B 1 27  ? -6.518  8.154   3.880   1.00 17.50  ?  271 THR C CA  1 
ATOM   1051 C C   . THR B 1 27  ? -7.596  9.046   4.496   1.00 18.32  ?  271 THR C C   1 
ATOM   1052 O O   . THR B 1 27  ? -8.783  8.760   4.345   1.00 19.02  ?  271 THR C O   1 
ATOM   1053 C CB  . THR B 1 27  ? -5.808  7.318   4.945   1.00 18.74  ?  271 THR C CB  1 
ATOM   1054 O OG1 . THR B 1 27  ? -4.987  6.352   4.287   1.00 19.55  ?  271 THR C OG1 1 
ATOM   1055 C CG2 . THR B 1 27  ? -6.793  6.617   5.861   1.00 20.07  ?  271 THR C CG2 1 
ATOM   1056 N N   . GLN B 1 28  ? -7.183  10.113  5.194   1.00 19.92  ?  272 GLN C N   1 
ATOM   1057 C CA  . GLN B 1 28  ? -8.104  11.045  5.845   1.00 20.26  ?  272 GLN C CA  1 
ATOM   1058 C C   . GLN B 1 28  ? -9.031  11.715  4.833   1.00 18.66  ?  272 GLN C C   1 
ATOM   1059 O O   . GLN B 1 28  ? -10.221 11.912  5.088   1.00 17.40  ?  272 GLN C O   1 
ATOM   1060 C CB  . GLN B 1 28  ? -7.347  12.170  6.557   1.00 23.58  ?  272 GLN C CB  1 
ATOM   1061 C CG  . GLN B 1 28  ? -6.408  11.673  7.656   1.00 27.61  ?  272 GLN C CG  1 
ATOM   1062 C CD  . GLN B 1 28  ? -5.647  12.784  8.348   1.00 30.00  ?  272 GLN C CD  1 
ATOM   1063 O OE1 . GLN B 1 28  ? -4.470  13.045  8.077   1.00 27.30  ?  272 GLN C OE1 1 
ATOM   1064 N NE2 . GLN B 1 28  ? -6.324  13.451  9.266   1.00 33.99  ?  272 GLN C NE2 1 
ATOM   1065 N N   . ALA B 1 29  ? -8.479  12.098  3.681   1.00 16.36  ?  273 ALA C N   1 
ATOM   1066 C CA  . ALA B 1 29  ? -9.245  12.843  2.696   1.00 15.46  ?  273 ALA C CA  1 
ATOM   1067 C C   . ALA B 1 29  ? -10.163 11.923  1.903   1.00 14.56  ?  273 ALA C C   1 
ATOM   1068 O O   . ALA B 1 29  ? -11.271 12.326  1.537   1.00 13.94  ?  273 ALA C O   1 
ATOM   1069 C CB  . ALA B 1 29  ? -8.294  13.565  1.751   1.00 16.35  ?  273 ALA C CB  1 
ATOM   1070 N N   . PHE B 1 30  ? -9.650  10.731  1.548   1.00 13.10  ?  274 PHE C N   1 
ATOM   1071 C CA  . PHE B 1 30  ? -10.249 9.964   0.473   1.00 12.63  ?  274 PHE C CA  1 
ATOM   1072 C C   . PHE B 1 30  ? -10.461 8.500   0.834   1.00 12.63  ?  274 PHE C C   1 
ATOM   1073 O O   . PHE B 1 30  ? -10.913 7.749   -0.006  1.00 12.61  ?  274 PHE C O   1 
ATOM   1074 C CB  . PHE B 1 30  ? -9.429  10.002  -0.814  1.00 11.60  ?  274 PHE C CB  1 
ATOM   1075 C CG  . PHE B 1 30  ? -9.085  11.392  -1.301  1.00 10.77  ?  274 PHE C CG  1 
ATOM   1076 C CD1 . PHE B 1 30  ? -10.076 12.264  -1.728  1.00 10.30  ?  274 PHE C CD1 1 
ATOM   1077 C CD2 . PHE B 1 30  ? -7.761  11.808  -1.373  1.00 9.97   ?  274 PHE C CD2 1 
ATOM   1078 C CE1 . PHE B 1 30  ? -9.750  13.534  -2.148  1.00 9.75   ?  274 PHE C CE1 1 
ATOM   1079 C CE2 . PHE B 1 30  ? -7.448  13.068  -1.846  1.00 9.70   ?  274 PHE C CE2 1 
ATOM   1080 C CZ  . PHE B 1 30  ? -8.443  13.925  -2.218  1.00 9.83   ?  274 PHE C CZ  1 
ATOM   1081 N N   . GLY B 1 31  ? -10.172 8.110   2.065   1.00 14.15  ?  275 GLY C N   1 
ATOM   1082 C CA  . GLY B 1 31  ? -10.397 6.741   2.499   1.00 14.73  ?  275 GLY C CA  1 
ATOM   1083 C C   . GLY B 1 31  ? -9.188  5.855   2.201   1.00 15.69  ?  275 GLY C C   1 
ATOM   1084 O O   . GLY B 1 31  ? -8.354  6.176   1.350   1.00 14.84  ?  275 GLY C O   1 
ATOM   1085 N N   . ARG B 1 32  ? -9.108  4.721   2.911   1.00 16.91  ?  276 ARG C N   1 
ATOM   1086 C CA  . ARG B 1 32  ? -8.122  3.696   2.598   1.00 18.75  ?  276 ARG C CA  1 
ATOM   1087 C C   . ARG B 1 32  ? -8.259  3.279   1.136   1.00 15.73  ?  276 ARG C C   1 
ATOM   1088 O O   . ARG B 1 32  ? -9.365  3.153   0.608   1.00 14.25  ?  276 ARG C O   1 
ATOM   1089 C CB  . ARG B 1 32  ? -8.247  2.453   3.487   1.00 23.53  ?  276 ARG C CB  1 
ATOM   1090 C CG  . ARG B 1 32  ? -7.769  2.730   4.905   1.00 30.20  ?  276 ARG C CG  1 
ATOM   1091 C CD  . ARG B 1 32  ? -8.629  2.047   5.956   1.00 39.03  ?  276 ARG C CD  1 
ATOM   1092 N NE  . ARG B 1 32  ? -8.201  0.677   6.249   1.00 47.93  ?  276 ARG C NE  1 
ATOM   1093 C CZ  . ARG B 1 32  ? -7.888  0.214   7.459   1.00 57.06  ?  276 ARG C CZ  1 
ATOM   1094 N NH1 . ARG B 1 32  ? -8.024  0.991   8.528   1.00 62.50  ?  276 ARG C NH1 1 
ATOM   1095 N NH2 . ARG B 1 32  ? -7.453  -1.031  7.598   1.00 56.72  ?  276 ARG C NH2 1 
ATOM   1096 N N   . ARG B 1 33  ? -7.095  3.099   0.508   1.00 14.08  ?  277 ARG C N   1 
ATOM   1097 C CA  . ARG B 1 33  ? -6.963  2.445   -0.775  1.00 13.90  ?  277 ARG C CA  1 
ATOM   1098 C C   . ARG B 1 33  ? -7.530  1.036   -0.702  1.00 14.36  ?  277 ARG C C   1 
ATOM   1099 O O   . ARG B 1 33  ? -7.420  0.363   0.338   1.00 13.68  ?  277 ARG C O   1 
ATOM   1100 C CB  . ARG B 1 33  ? -5.479  2.398   -1.158  1.00 13.43  ?  277 ARG C CB  1 
ATOM   1101 C CG  . ARG B 1 33  ? -4.988  3.610   -1.944  1.00 12.57  ?  277 ARG C CG  1 
ATOM   1102 C CD  . ARG B 1 33  ? -4.745  4.874   -1.148  1.00 11.78  ?  277 ARG C CD  1 
ATOM   1103 N NE  . ARG B 1 33  ? -5.972  5.626   -0.915  1.00 12.20  ?  277 ARG C NE  1 
ATOM   1104 C CZ  . ARG B 1 33  ? -6.702  6.263   -1.814  1.00 11.35  ?  277 ARG C CZ  1 
ATOM   1105 N NH1 . ARG B 1 33  ? -6.269  6.395   -3.045  1.00 10.44  ?  277 ARG C NH1 1 
ATOM   1106 N NH2 . ARG B 1 33  ? -7.886  6.761   -1.464  1.00 11.80  ?  277 ARG C NH2 1 
ATOM   1107 N N   . GLY B 1 34  ? -8.094  0.574   -1.826  1.00 13.57  ?  278 GLY C N   1 
ATOM   1108 C CA  . GLY B 1 34  ? -8.659  -0.764  -1.861  1.00 14.36  ?  278 GLY C CA  1 
ATOM   1109 C C   . GLY B 1 34  ? -9.154  -1.173  -3.250  1.00 15.46  ?  278 GLY C C   1 
ATOM   1110 O O   . GLY B 1 34  ? -9.058  -0.396  -4.181  1.00 14.79  ?  278 GLY C O   1 
ATOM   1111 N N   . PRO B 1 35  ? -9.678  -2.416  -3.407  1.00 17.54  ?  279 PRO C N   1 
ATOM   1112 C CA  . PRO B 1 35  ? -10.030 -2.989  -4.711  1.00 18.99  ?  279 PRO C CA  1 
ATOM   1113 C C   . PRO B 1 35  ? -11.419 -2.718  -5.277  1.00 21.58  ?  279 PRO C C   1 
ATOM   1114 O O   . PRO B 1 35  ? -11.679 -3.040  -6.446  1.00 22.21  ?  279 PRO C O   1 
ATOM   1115 C CB  . PRO B 1 35  ? -9.886  -4.503  -4.435  1.00 19.18  ?  279 PRO C CB  1 
ATOM   1116 C CG  . PRO B 1 35  ? -10.272 -4.675  -2.983  1.00 19.27  ?  279 PRO C CG  1 
ATOM   1117 C CD  . PRO B 1 35  ? -9.893  -3.370  -2.306  1.00 19.09  ?  279 PRO C CD  1 
ATOM   1118 N N   . GLU B 1 36  ? -12.312 -2.194  -4.428  1.00 19.48  ?  280 GLU C N   1 
ATOM   1119 C CA  . GLU B 1 36  ? -13.724 -2.169  -4.770  1.00 20.89  ?  280 GLU C CA  1 
ATOM   1120 C C   . GLU B 1 36  ? -13.941 -1.062  -5.783  1.00 25.32  ?  280 GLU C C   1 
ATOM   1121 O O   . GLU B 1 36  ? -13.067 -0.219  -5.969  1.00 24.82  ?  280 GLU C O   1 
ATOM   1122 C CB  . GLU B 1 36  ? -14.571 -2.058  -3.505  1.00 18.77  ?  280 GLU C CB  1 
ATOM   1123 C CG  . GLU B 1 36  ? -14.396 -3.271  -2.591  1.00 18.46  ?  280 GLU C CG  1 
ATOM   1124 C CD  . GLU B 1 36  ? -14.798 -4.588  -3.264  1.00 19.38  ?  280 GLU C CD  1 
ATOM   1125 O OE1 . GLU B 1 36  ? -15.617 -4.616  -4.202  1.00 18.48  ?  280 GLU C OE1 1 
ATOM   1126 O OE2 . GLU B 1 36  ? -14.224 -5.606  -2.882  1.00 20.28  ?  280 GLU C OE2 1 
ATOM   1127 N N   . GLN B 1 37  ? -15.107 -1.090  -6.435  1.00 28.59  ?  281 GLN C N   1 
ATOM   1128 C CA  . GLN B 1 37  ? -15.273 -0.427  -7.715  1.00 32.81  ?  281 GLN C CA  1 
ATOM   1129 C C   . GLN B 1 37  ? -15.105 1.093   -7.584  1.00 30.43  ?  281 GLN C C   1 
ATOM   1130 O O   . GLN B 1 37  ? -14.567 1.746   -8.486  1.00 36.54  ?  281 GLN C O   1 
ATOM   1131 C CB  . GLN B 1 37  ? -16.609 -0.845  -8.339  1.00 38.37  ?  281 GLN C CB  1 
ATOM   1132 C CG  . GLN B 1 37  ? -16.560 -0.926  -9.861  1.00 45.14  ?  281 GLN C CG  1 
ATOM   1133 C CD  . GLN B 1 37  ? -15.668 -2.038  -10.371 1.00 48.59  ?  281 GLN C CD  1 
ATOM   1134 O OE1 . GLN B 1 37  ? -14.577 -1.800  -10.910 1.00 53.02  ?  281 GLN C OE1 1 
ATOM   1135 N NE2 . GLN B 1 37  ? -16.130 -3.270  -10.204 1.00 51.28  ?  281 GLN C NE2 1 
ATOM   1136 N N   . THR B 1 38  ? -15.528 1.675   -6.465  1.00 26.45  ?  282 THR C N   1 
ATOM   1137 C CA  . THR B 1 38  ? -15.438 3.125   -6.311  1.00 25.17  ?  282 THR C CA  1 
ATOM   1138 C C   . THR B 1 38  ? -14.518 3.543   -5.159  1.00 25.16  ?  282 THR C C   1 
ATOM   1139 O O   . THR B 1 38  ? -14.526 4.703   -4.751  1.00 25.06  ?  282 THR C O   1 
ATOM   1140 C CB  . THR B 1 38  ? -16.875 3.614   -6.132  1.00 29.95  ?  282 THR C CB  1 
ATOM   1141 O OG1 . THR B 1 38  ? -17.366 2.651   -5.202  1.00 29.58  ?  282 THR C OG1 1 
ATOM   1142 C CG2 . THR B 1 38  ? -17.663 3.598   -7.437  1.00 29.79  ?  282 THR C CG2 1 
ATOM   1143 N N   . GLN B 1 39  ? -13.705 2.604   -4.650  1.00 22.81  ?  283 GLN C N   1 
ATOM   1144 C CA  . GLN B 1 39  ? -12.584 2.904   -3.774  1.00 20.67  ?  283 GLN C CA  1 
ATOM   1145 C C   . GLN B 1 39  ? -11.365 3.308   -4.607  1.00 15.93  ?  283 GLN C C   1 
ATOM   1146 O O   . GLN B 1 39  ? -11.122 2.703   -5.638  1.00 18.90  ?  283 GLN C O   1 
ATOM   1147 C CB  . GLN B 1 39  ? -12.119 1.615   -3.101  1.00 21.99  ?  283 GLN C CB  1 
ATOM   1148 C CG  . GLN B 1 39  ? -12.516 1.427   -1.651  1.00 24.61  ?  283 GLN C CG  1 
ATOM   1149 C CD  . GLN B 1 39  ? -11.997 0.109   -1.119  1.00 25.69  ?  283 GLN C CD  1 
ATOM   1150 O OE1 . GLN B 1 39  ? -12.175 -0.946  -1.729  1.00 22.51  ?  283 GLN C OE1 1 
ATOM   1151 N NE2 . GLN B 1 39  ? -11.295 0.160   -0.001  1.00 29.65  ?  283 GLN C NE2 1 
ATOM   1152 N N   . GLY B 1 40  ? -10.570 4.258   -4.125  1.00 13.58  ?  284 GLY C N   1 
ATOM   1153 C CA  . GLY B 1 40  ? -9.306  4.633   -4.751  1.00 12.33  ?  284 GLY C CA  1 
ATOM   1154 C C   . GLY B 1 40  ? -8.273  3.513   -4.618  1.00 11.31  ?  284 GLY C C   1 
ATOM   1155 O O   . GLY B 1 40  ? -8.175  2.878   -3.569  1.00 10.67  ?  284 GLY C O   1 
ATOM   1156 N N   . ASN B 1 41  ? -7.521  3.253   -5.697  1.00 10.86  ?  285 ASN C N   1 
ATOM   1157 C CA  . ASN B 1 41  ? -6.485  2.232   -5.693  1.00 9.62   ?  285 ASN C CA  1 
ATOM   1158 C C   . ASN B 1 41  ? -5.091  2.830   -5.856  1.00 9.59   ?  285 ASN C C   1 
ATOM   1159 O O   . ASN B 1 41  ? -4.134  2.069   -5.949  1.00 9.14   ?  285 ASN C O   1 
ATOM   1160 C CB  . ASN B 1 41  ? -6.699  1.217   -6.809  1.00 9.75   ?  285 ASN C CB  1 
ATOM   1161 C CG  . ASN B 1 41  ? -6.446  1.817   -8.172  1.00 9.52   ?  285 ASN C CG  1 
ATOM   1162 O OD1 . ASN B 1 41  ? -6.667  3.012   -8.373  1.00 10.49  ?  285 ASN C OD1 1 
ATOM   1163 N ND2 . ASN B 1 41  ? -5.943  1.041   -9.112  1.00 9.57   ?  285 ASN C ND2 1 
ATOM   1164 N N   . PHE B 1 42  ? -4.962  4.170   -5.876  1.00 9.25   ?  286 PHE C N   1 
ATOM   1165 C CA  . PHE B 1 42  ? -3.699  4.789   -6.210  1.00 8.91   ?  286 PHE C CA  1 
ATOM   1166 C C   . PHE B 1 42  ? -2.987  5.313   -4.965  1.00 9.16   ?  286 PHE C C   1 
ATOM   1167 O O   . PHE B 1 42  ? -3.517  6.148   -4.209  1.00 8.66   ?  286 PHE C O   1 
ATOM   1168 C CB  . PHE B 1 42  ? -3.881  5.951   -7.190  1.00 8.86   ?  286 PHE C CB  1 
ATOM   1169 C CG  . PHE B 1 42  ? -2.635  6.523   -7.865  1.00 8.69   ?  286 PHE C CG  1 
ATOM   1170 C CD1 . PHE B 1 42  ? -2.191  6.021   -9.090  1.00 8.92   ?  286 PHE C CD1 1 
ATOM   1171 C CD2 . PHE B 1 42  ? -1.939  7.596   -7.311  1.00 8.95   ?  286 PHE C CD2 1 
ATOM   1172 C CE1 . PHE B 1 42  ? -1.081  6.565   -9.732  1.00 8.67   ?  286 PHE C CE1 1 
ATOM   1173 C CE2 . PHE B 1 42  ? -0.822  8.145   -7.950  1.00 8.74   ?  286 PHE C CE2 1 
ATOM   1174 C CZ  . PHE B 1 42  ? -0.398  7.627   -9.164  1.00 8.88   ?  286 PHE C CZ  1 
ATOM   1175 N N   . GLY B 1 43  ? -1.722  4.880   -4.846  1.00 9.73   ?  287 GLY C N   1 
ATOM   1176 C CA  . GLY B 1 43  ? -0.765  5.502   -3.952  1.00 10.22  ?  287 GLY C CA  1 
ATOM   1177 C C   . GLY B 1 43  ? -0.057  4.476   -3.078  1.00 10.60  ?  287 GLY C C   1 
ATOM   1178 O O   . GLY B 1 43  ? -0.704  3.641   -2.470  1.00 10.80  ?  287 GLY C O   1 
ATOM   1179 N N   . ASP B 1 44  ? 1.280   4.546   -3.051  1.00 11.36  ?  288 ASP C N   1 
ATOM   1180 C CA  . ASP B 1 44  ? 2.105   3.807   -2.103  1.00 12.55  ?  288 ASP C CA  1 
ATOM   1181 C C   . ASP B 1 44  ? 2.055   4.488   -0.734  1.00 12.72  ?  288 ASP C C   1 
ATOM   1182 O O   . ASP B 1 44  ? 1.343   5.479   -0.537  1.00 12.70  ?  288 ASP C O   1 
ATOM   1183 C CB  . ASP B 1 44  ? 3.509   3.604   -2.659  1.00 12.75  ?  288 ASP C CB  1 
ATOM   1184 C CG  . ASP B 1 44  ? 4.456   4.800   -2.613  1.00 13.05  ?  288 ASP C CG  1 
ATOM   1185 O OD1 . ASP B 1 44  ? 4.077   5.871   -2.118  1.00 12.35  ?  288 ASP C OD1 1 
ATOM   1186 O OD2 . ASP B 1 44  ? 5.582   4.648   -3.094  1.00 14.62  ?  288 ASP C OD2 1 
ATOM   1187 N N   A GLN B 1 45  ? 2.814   3.925   0.214   0.50 12.96  ?  289 GLN C N   1 
ATOM   1188 N N   B GLN B 1 45  ? 2.809   3.956   0.243   0.50 13.57  ?  289 GLN C N   1 
ATOM   1189 C CA  A GLN B 1 45  ? 2.768   4.383   1.591   0.50 12.90  ?  289 GLN C CA  1 
ATOM   1190 C CA  B GLN B 1 45  ? 2.681   4.424   1.618   0.50 13.89  ?  289 GLN C CA  1 
ATOM   1191 C C   A GLN B 1 45  ? 3.165   5.851   1.641   0.50 13.12  ?  289 GLN C C   1 
ATOM   1192 C C   B GLN B 1 45  ? 3.256   5.832   1.751   0.50 13.72  ?  289 GLN C C   1 
ATOM   1193 O O   A GLN B 1 45  ? 2.511   6.659   2.296   0.50 13.57  ?  289 GLN C O   1 
ATOM   1194 O O   B GLN B 1 45  ? 2.849   6.592   2.627   0.50 14.29  ?  289 GLN C O   1 
ATOM   1195 C CB  A GLN B 1 45  ? 3.665   3.504   2.463   0.50 13.02  ?  289 GLN C CB  1 
ATOM   1196 C CB  B GLN B 1 45  ? 3.288   3.463   2.650   0.50 14.87  ?  289 GLN C CB  1 
ATOM   1197 C CG  A GLN B 1 45  ? 3.437   2.009   2.267   0.50 12.47  ?  289 GLN C CG  1 
ATOM   1198 C CG  B GLN B 1 45  ? 2.492   2.178   2.860   0.50 15.05  ?  289 GLN C CG  1 
ATOM   1199 C CD  A GLN B 1 45  ? 4.470   1.336   1.389   0.50 12.08  ?  289 GLN C CD  1 
ATOM   1200 C CD  B GLN B 1 45  ? 3.021   1.292   3.969   0.50 15.78  ?  289 GLN C CD  1 
ATOM   1201 O OE1 A GLN B 1 45  ? 4.632   1.633   0.189   0.50 10.33  ?  289 GLN C OE1 1 
ATOM   1202 O OE1 B GLN B 1 45  ? 4.070   0.644   3.849   0.50 15.62  ?  289 GLN C OE1 1 
ATOM   1203 N NE2 A GLN B 1 45  ? 5.165   0.386   2.015   0.50 12.10  ?  289 GLN C NE2 1 
ATOM   1204 N NE2 B GLN B 1 45  ? 2.274   1.240   5.059   0.50 16.40  ?  289 GLN C NE2 1 
ATOM   1205 N N   . GLU B 1 46  ? 4.214   6.195   0.899   1.00 13.49  ?  290 GLU C N   1 
ATOM   1206 C CA  . GLU B 1 46  ? 4.784   7.530   0.961   1.00 14.33  ?  290 GLU C CA  1 
ATOM   1207 C C   . GLU B 1 46  ? 3.770   8.568   0.472   1.00 13.95  ?  290 GLU C C   1 
ATOM   1208 O O   . GLU B 1 46  ? 3.529   9.562   1.145   1.00 14.62  ?  290 GLU C O   1 
ATOM   1209 C CB  . GLU B 1 46  ? 6.082   7.533   0.157   1.00 15.64  ?  290 GLU C CB  1 
ATOM   1210 C CG  . GLU B 1 46  ? 6.903   8.797   0.377   1.00 17.98  ?  290 GLU C CG  1 
ATOM   1211 C CD  . GLU B 1 46  ? 8.157   8.852   -0.493  1.00 18.96  ?  290 GLU C CD  1 
ATOM   1212 O OE1 . GLU B 1 46  ? 8.443   7.950   -1.302  1.00 19.35  ?  290 GLU C OE1 1 
ATOM   1213 O OE2 . GLU B 1 46  ? 8.858   9.850   -0.331  1.00 22.55  ?  290 GLU C OE2 1 
ATOM   1214 N N   . LEU B 1 47  ? 3.169   8.328   -0.700  1.00 13.63  ?  291 LEU C N   1 
ATOM   1215 C CA  . LEU B 1 47  ? 2.172   9.225   -1.260  1.00 12.54  ?  291 LEU C CA  1 
ATOM   1216 C C   . LEU B 1 47  ? 0.998   9.330   -0.295  1.00 12.68  ?  291 LEU C C   1 
ATOM   1217 O O   . LEU B 1 47  ? 0.450   10.416  -0.113  1.00 13.58  ?  291 LEU C O   1 
ATOM   1218 C CB  . LEU B 1 47  ? 1.703   8.780   -2.643  1.00 11.98  ?  291 LEU C CB  1 
ATOM   1219 C CG  . LEU B 1 47  ? 0.529   9.559   -3.277  1.00 12.47  ?  291 LEU C CG  1 
ATOM   1220 C CD1 . LEU B 1 47  ? 0.723   11.067  -3.251  1.00 12.97  ?  291 LEU C CD1 1 
ATOM   1221 C CD2 . LEU B 1 47  ? 0.339   9.143   -4.734  1.00 12.47  ?  291 LEU C CD2 1 
ATOM   1222 N N   . ILE B 1 48  ? 0.569   8.199   0.264   1.00 12.59  ?  292 ILE C N   1 
ATOM   1223 C CA  . ILE B 1 48  ? -0.607  8.214   1.124   1.00 13.88  ?  292 ILE C CA  1 
ATOM   1224 C C   . ILE B 1 48  ? -0.356  9.161   2.298   1.00 15.71  ?  292 ILE C C   1 
ATOM   1225 O O   . ILE B 1 48  ? -1.244  9.926   2.654   1.00 16.38  ?  292 ILE C O   1 
ATOM   1226 C CB  . ILE B 1 48  ? -1.005  6.802   1.587   1.00 13.97  ?  292 ILE C CB  1 
ATOM   1227 C CG1 . ILE B 1 48  ? -1.642  5.996   0.453   1.00 13.57  ?  292 ILE C CG1 1 
ATOM   1228 C CG2 . ILE B 1 48  ? -1.941  6.851   2.801   1.00 14.34  ?  292 ILE C CG2 1 
ATOM   1229 C CD1 . ILE B 1 48  ? -1.682  4.500   0.697   1.00 13.31  ?  292 ILE C CD1 1 
ATOM   1230 N N   . ARG B 1 49  ? 0.863   9.122   2.865   1.00 17.07  ?  293 ARG C N   1 
ATOM   1231 C CA  . ARG B 1 49  ? 1.219   9.898   4.045   1.00 18.90  ?  293 ARG C CA  1 
ATOM   1232 C C   . ARG B 1 49  ? 1.340   11.386  3.708   1.00 19.01  ?  293 ARG C C   1 
ATOM   1233 O O   . ARG B 1 49  ? 1.018   12.220  4.551   1.00 19.26  ?  293 ARG C O   1 
ATOM   1234 C CB  . ARG B 1 49  ? 2.518   9.399   4.715   1.00 21.61  ?  293 ARG C CB  1 
ATOM   1235 C CG  . ARG B 1 49  ? 3.034   10.295  5.841   1.00 25.72  ?  293 ARG C CG  1 
ATOM   1236 C CD  . ARG B 1 49  ? 4.306   9.849   6.615   1.00 27.37  ?  293 ARG C CD  1 
ATOM   1237 N NE  . ARG B 1 49  ? 5.533   9.673   5.813   1.00 29.62  ?  293 ARG C NE  1 
ATOM   1238 C CZ  . ARG B 1 49  ? 5.898   8.584   5.101   1.00 26.69  ?  293 ARG C CZ  1 
ATOM   1239 N NH1 . ARG B 1 49  ? 5.132   7.518   5.041   1.00 24.44  ?  293 ARG C NH1 1 
ATOM   1240 N NH2 . ARG B 1 49  ? 7.038   8.576   4.445   1.00 25.93  ?  293 ARG C NH2 1 
ATOM   1241 N N   A GLN B 1 50  ? 1.770   11.726  2.487   0.50 17.73  ?  294 GLN C N   1 
ATOM   1242 N N   B GLN B 1 50  ? 1.801   11.698  2.483   0.50 18.29  ?  294 GLN C N   1 
ATOM   1243 C CA  A GLN B 1 50  ? 2.229   13.079  2.228   0.50 18.05  ?  294 GLN C CA  1 
ATOM   1244 C CA  B GLN B 1 50  ? 2.313   13.021  2.155   0.50 19.07  ?  294 GLN C CA  1 
ATOM   1245 C C   A GLN B 1 50  ? 1.291   13.852  1.304   0.50 17.25  ?  294 GLN C C   1 
ATOM   1246 C C   B GLN B 1 50  ? 1.324   13.824  1.302   0.50 17.78  ?  294 GLN C C   1 
ATOM   1247 O O   A GLN B 1 50  ? 1.305   15.081  1.312   0.50 16.17  ?  294 GLN C O   1 
ATOM   1248 O O   B GLN B 1 50  ? 1.333   15.052  1.358   0.50 16.63  ?  294 GLN C O   1 
ATOM   1249 C CB  A GLN B 1 50  ? 3.649   13.017  1.675   0.50 18.41  ?  294 GLN C CB  1 
ATOM   1250 C CB  B GLN B 1 50  ? 3.675   12.919  1.458   0.50 20.30  ?  294 GLN C CB  1 
ATOM   1251 C CG  A GLN B 1 50  ? 4.624   12.306  2.610   0.50 18.60  ?  294 GLN C CG  1 
ATOM   1252 C CG  B GLN B 1 50  ? 4.734   12.119  2.225   0.50 21.61  ?  294 GLN C CG  1 
ATOM   1253 C CD  A GLN B 1 50  ? 5.937   12.013  1.927   0.50 19.03  ?  294 GLN C CD  1 
ATOM   1254 C CD  B GLN B 1 50  ? 5.413   12.884  3.342   0.50 23.33  ?  294 GLN C CD  1 
ATOM   1255 O OE1 A GLN B 1 50  ? 6.145   12.395  0.773   0.50 18.79  ?  294 GLN C OE1 1 
ATOM   1256 O OE1 B GLN B 1 50  ? 4.758   13.512  4.178   0.50 27.35  ?  294 GLN C OE1 1 
ATOM   1257 N NE2 A GLN B 1 50  ? 6.846   11.358  2.638   0.50 20.15  ?  294 GLN C NE2 1 
ATOM   1258 N NE2 B GLN B 1 50  ? 6.738   12.836  3.387   0.50 23.46  ?  294 GLN C NE2 1 
ATOM   1259 N N   . GLY B 1 51  ? 0.476   13.153  0.509   1.00 16.75  ?  295 GLY C N   1 
ATOM   1260 C CA  . GLY B 1 51  ? -0.425  13.855  -0.403  1.00 15.51  ?  295 GLY C CA  1 
ATOM   1261 C C   . GLY B 1 51  ? 0.380   14.743  -1.350  1.00 15.18  ?  295 GLY C C   1 
ATOM   1262 O O   . GLY B 1 51  ? 1.440   14.346  -1.821  1.00 14.59  ?  295 GLY C O   1 
ATOM   1263 N N   . THR B 1 52  ? -0.094  15.957  -1.604  1.00 15.11  ?  296 THR C N   1 
ATOM   1264 C CA  . THR B 1 52  ? 0.572   16.844  -2.541  1.00 16.02  ?  296 THR C CA  1 
ATOM   1265 C C   . THR B 1 52  ? 1.931   17.307  -1.999  1.00 16.55  ?  296 THR C C   1 
ATOM   1266 O O   . THR B 1 52  ? 2.660   17.942  -2.732  1.00 17.67  ?  296 THR C O   1 
ATOM   1267 C CB  . THR B 1 52  ? -0.317  18.046  -2.865  1.00 16.02  ?  296 THR C CB  1 
ATOM   1268 O OG1 . THR B 1 52  ? -0.675  18.653  -1.630  1.00 16.07  ?  296 THR C OG1 1 
ATOM   1269 C CG2 . THR B 1 52  ? -1.617  17.648  -3.530  1.00 15.80  ?  296 THR C CG2 1 
ATOM   1270 N N   . ASP B 1 53  ? 2.298   16.965  -0.756  1.00 17.24  ?  297 ASP C N   1 
ATOM   1271 C CA  . ASP B 1 53  ? 3.638   17.243  -0.269  1.00 18.29  ?  297 ASP C CA  1 
ATOM   1272 C C   . ASP B 1 53  ? 4.646   16.229  -0.798  1.00 18.54  ?  297 ASP C C   1 
ATOM   1273 O O   . ASP B 1 53  ? 5.856   16.450  -0.693  1.00 18.64  ?  297 ASP C O   1 
ATOM   1274 C CB  . ASP B 1 53  ? 3.678   17.307  1.247   1.00 20.62  ?  297 ASP C CB  1 
ATOM   1275 C CG  . ASP B 1 53  ? 2.864   18.442  1.843   1.00 20.51  ?  297 ASP C CG  1 
ATOM   1276 O OD1 . ASP B 1 53  ? 2.951   19.560  1.323   1.00 22.70  ?  297 ASP C OD1 1 
ATOM   1277 O OD2 . ASP B 1 53  ? 2.122   18.188  2.788   1.00 23.08  ?  297 ASP C OD2 1 
ATOM   1278 N N   . TYR B 1 54  ? 4.147   15.138  -1.406  1.00 16.63  ?  298 TYR C N   1 
ATOM   1279 C CA  . TYR B 1 54  ? 4.996   14.072  -1.887  1.00 15.25  ?  298 TYR C CA  1 
ATOM   1280 C C   . TYR B 1 54  ? 6.007   14.654  -2.862  1.00 15.79  ?  298 TYR C C   1 
ATOM   1281 O O   . TYR B 1 54  ? 5.648   15.472  -3.691  1.00 15.57  ?  298 TYR C O   1 
ATOM   1282 C CB  . TYR B 1 54  ? 4.096   13.038  -2.557  1.00 14.74  ?  298 TYR C CB  1 
ATOM   1283 C CG  . TYR B 1 54  ? 4.782   11.907  -3.303  1.00 14.87  ?  298 TYR C CG  1 
ATOM   1284 C CD1 . TYR B 1 54  ? 4.533   11.700  -4.646  1.00 14.63  ?  298 TYR C CD1 1 
ATOM   1285 C CD2 . TYR B 1 54  ? 5.547   10.957  -2.631  1.00 16.39  ?  298 TYR C CD2 1 
ATOM   1286 C CE1 . TYR B 1 54  ? 5.097   10.638  -5.330  1.00 14.55  ?  298 TYR C CE1 1 
ATOM   1287 C CE2 . TYR B 1 54  ? 6.123   9.890   -3.305  1.00 17.00  ?  298 TYR C CE2 1 
ATOM   1288 C CZ  . TYR B 1 54  ? 5.909   9.740   -4.664  1.00 15.75  ?  298 TYR C CZ  1 
ATOM   1289 O OH  . TYR B 1 54  ? 6.392   8.649   -5.345  1.00 16.05  ?  298 TYR C OH  1 
ATOM   1290 N N   . LYS B 1 55  ? 7.237   14.139  -2.811  1.00 17.07  ?  299 LYS C N   1 
ATOM   1291 C CA  . LYS B 1 55  ? 8.365   14.702  -3.535  1.00 18.42  ?  299 LYS C CA  1 
ATOM   1292 C C   . LYS B 1 55  ? 8.210   14.609  -5.052  1.00 15.52  ?  299 LYS C C   1 
ATOM   1293 O O   . LYS B 1 55  ? 8.799   15.425  -5.764  1.00 14.82  ?  299 LYS C O   1 
ATOM   1294 C CB  . LYS B 1 55  ? 9.639   13.970  -3.083  1.00 22.02  ?  299 LYS C CB  1 
ATOM   1295 C CG  . LYS B 1 55  ? 10.185  14.519  -1.791  1.00 26.82  ?  299 LYS C CG  1 
ATOM   1296 C CD  . LYS B 1 55  ? 10.189  16.044  -1.807  1.00 30.10  ?  299 LYS C CD  1 
ATOM   1297 C CE  . LYS B 1 55  ? 11.109  16.647  -0.809  1.00 33.16  ?  299 LYS C CE  1 
ATOM   1298 N NZ  . LYS B 1 55  ? 10.978  15.985  0.494   1.00 34.23  ?  299 LYS C NZ  1 
ATOM   1299 N N   . HIS B 1 56  ? 7.468   13.596  -5.528  1.00 13.81  ?  300 HIS C N   1 
ATOM   1300 C CA  . HIS B 1 56  ? 7.248   13.398  -6.948  1.00 14.15  ?  300 HIS C CA  1 
ATOM   1301 C C   . HIS B 1 56  ? 5.818   13.750  -7.367  1.00 13.46  ?  300 HIS C C   1 
ATOM   1302 O O   . HIS B 1 56  ? 5.407   13.424  -8.477  1.00 12.86  ?  300 HIS C O   1 
ATOM   1303 C CB  . HIS B 1 56  ? 7.668   11.973  -7.324  1.00 14.79  ?  300 HIS C CB  1 
ATOM   1304 C CG  . HIS B 1 56  ? 9.137   11.861  -7.212  1.00 16.62  ?  300 HIS C CG  1 
ATOM   1305 N ND1 . HIS B 1 56  ? 9.792   11.360  -6.110  1.00 20.85  ?  300 HIS C ND1 1 
ATOM   1306 C CD2 . HIS B 1 56  ? 10.056  12.328  -8.020  1.00 16.94  ?  300 HIS C CD2 1 
ATOM   1307 C CE1 . HIS B 1 56  ? 11.093  11.452  -6.318  1.00 20.60  ?  300 HIS C CE1 1 
ATOM   1308 N NE2 . HIS B 1 56  ? 11.266  12.035  -7.489  1.00 20.31  ?  300 HIS C NE2 1 
ATOM   1309 N N   . TRP B 1 57  ? 5.094   14.487  -6.521  1.00 13.48  ?  301 TRP C N   1 
ATOM   1310 C CA  . TRP B 1 57  ? 3.721   14.885  -6.835  1.00 12.91  ?  301 TRP C CA  1 
ATOM   1311 C C   . TRP B 1 57  ? 3.618   15.590  -8.193  1.00 12.80  ?  301 TRP C C   1 
ATOM   1312 O O   . TRP B 1 57  ? 2.740   15.240  -8.991  1.00 12.75  ?  301 TRP C O   1 
ATOM   1313 C CB  . TRP B 1 57  ? 3.101   15.739  -5.725  1.00 12.27  ?  301 TRP C CB  1 
ATOM   1314 C CG  . TRP B 1 57  ? 1.690   16.127  -6.079  1.00 12.03  ?  301 TRP C CG  1 
ATOM   1315 C CD1 . TRP B 1 57  ? 1.214   17.344  -6.484  1.00 12.59  ?  301 TRP C CD1 1 
ATOM   1316 C CD2 . TRP B 1 57  ? 0.581   15.215  -6.191  1.00 11.25  ?  301 TRP C CD2 1 
ATOM   1317 N NE1 . TRP B 1 57  ? -0.121  17.267  -6.807  1.00 11.88  ?  301 TRP C NE1 1 
ATOM   1318 C CE2 . TRP B 1 57  ? -0.531  15.967  -6.640  1.00 11.15  ?  301 TRP C CE2 1 
ATOM   1319 C CE3 . TRP B 1 57  ? 0.420   13.848  -5.934  1.00 11.23  ?  301 TRP C CE3 1 
ATOM   1320 C CZ2 . TRP B 1 57  ? -1.782  15.390  -6.829  1.00 10.36  ?  301 TRP C CZ2 1 
ATOM   1321 C CZ3 . TRP B 1 57  ? -0.831  13.286  -6.100  1.00 10.83  ?  301 TRP C CZ3 1 
ATOM   1322 C CH2 . TRP B 1 57  ? -1.903  14.047  -6.566  1.00 10.37  ?  301 TRP C CH2 1 
ATOM   1323 N N   . PRO B 1 58  ? 4.505   16.557  -8.554  1.00 12.39  ?  302 PRO C N   1 
ATOM   1324 C CA  . PRO B 1 58  ? 4.374   17.227  -9.852  1.00 12.32  ?  302 PRO C CA  1 
ATOM   1325 C C   . PRO B 1 58  ? 4.379   16.296  -11.070 1.00 12.33  ?  302 PRO C C   1 
ATOM   1326 O O   . PRO B 1 58  ? 3.667   16.567  -12.045 1.00 11.21  ?  302 PRO C O   1 
ATOM   1327 C CB  . PRO B 1 58  ? 5.528   18.247  -9.864  1.00 12.77  ?  302 PRO C CB  1 
ATOM   1328 C CG  . PRO B 1 58  ? 5.835   18.469  -8.386  1.00 13.28  ?  302 PRO C CG  1 
ATOM   1329 C CD  . PRO B 1 58  ? 5.629   17.089  -7.755  1.00 12.89  ?  302 PRO C CD  1 
ATOM   1330 N N   . GLN B 1 59  ? 5.124   15.176  -11.013 1.00 12.43  ?  303 GLN C N   1 
ATOM   1331 C CA  . GLN B 1 59  ? 5.147   14.237  -12.136 1.00 12.81  ?  303 GLN C CA  1 
ATOM   1332 C C   . GLN B 1 59  ? 3.869   13.404  -12.215 1.00 12.13  ?  303 GLN C C   1 
ATOM   1333 O O   . GLN B 1 59  ? 3.589   12.799  -13.245 1.00 13.16  ?  303 GLN C O   1 
ATOM   1334 C CB  . GLN B 1 59  ? 6.364   13.308  -12.204 1.00 13.94  ?  303 GLN C CB  1 
ATOM   1335 C CG  . GLN B 1 59  ? 7.586   14.004  -12.816 1.00 15.03  ?  303 GLN C CG  1 
ATOM   1336 C CD  . GLN B 1 59  ? 8.087   14.984  -11.803 1.00 16.08  ?  303 GLN C CD  1 
ATOM   1337 O OE1 . GLN B 1 59  ? 8.040   14.672  -10.603 1.00 18.01  ?  303 GLN C OE1 1 
ATOM   1338 N NE2 . GLN B 1 59  ? 8.440   16.181  -12.245 1.00 15.82  ?  303 GLN C NE2 1 
ATOM   1339 N N   . ILE B 1 60  ? 3.109   13.359  -11.134 1.00 12.08  ?  304 ILE C N   1 
ATOM   1340 C CA  . ILE B 1 60  ? 1.801   12.721  -11.133 1.00 12.25  ?  304 ILE C CA  1 
ATOM   1341 C C   . ILE B 1 60  ? 0.739   13.726  -11.573 1.00 12.21  ?  304 ILE C C   1 
ATOM   1342 O O   . ILE B 1 60  ? -0.088  13.405  -12.425 1.00 11.53  ?  304 ILE C O   1 
ATOM   1343 C CB  . ILE B 1 60  ? 1.512   12.140  -9.743  1.00 11.99  ?  304 ILE C CB  1 
ATOM   1344 C CG1 . ILE B 1 60  ? 2.469   10.973  -9.459  1.00 11.87  ?  304 ILE C CG1 1 
ATOM   1345 C CG2 . ILE B 1 60  ? 0.042   11.750  -9.574  1.00 11.81  ?  304 ILE C CG2 1 
ATOM   1346 C CD1 . ILE B 1 60  ? 2.455   10.525  -8.028  1.00 12.23  ?  304 ILE C CD1 1 
ATOM   1347 N N   . ALA B 1 61  ? 0.775   14.928  -10.965 1.00 12.08  ?  305 ALA C N   1 
ATOM   1348 C CA  . ALA B 1 61  ? -0.234  15.956  -11.173 1.00 11.92  ?  305 ALA C CA  1 
ATOM   1349 C C   . ALA B 1 61  ? -0.275  16.450  -12.617 1.00 11.78  ?  305 ALA C C   1 
ATOM   1350 O O   . ALA B 1 61  ? -1.335  16.873  -13.088 1.00 11.25  ?  305 ALA C O   1 
ATOM   1351 C CB  . ALA B 1 61  ? -0.018  17.107  -10.200 1.00 12.01  ?  305 ALA C CB  1 
ATOM   1352 N N   . GLN B 1 62  ? 0.835   16.322  -13.354 1.00 11.83  ?  306 GLN C N   1 
ATOM   1353 C CA  . GLN B 1 62  ? 0.846   16.685  -14.764 1.00 12.52  ?  306 GLN C CA  1 
ATOM   1354 C C   . GLN B 1 62  ? -0.179  15.865  -15.561 1.00 12.26  ?  306 GLN C C   1 
ATOM   1355 O O   . GLN B 1 62  ? -0.538  16.239  -16.665 1.00 12.37  ?  306 GLN C O   1 
ATOM   1356 C CB  . GLN B 1 62  ? 2.216   16.449  -15.407 1.00 13.77  ?  306 GLN C CB  1 
ATOM   1357 C CG  . GLN B 1 62  ? 2.628   14.984  -15.539 1.00 14.02  ?  306 GLN C CG  1 
ATOM   1358 C CD  . GLN B 1 62  ? 4.026   14.839  -16.121 1.00 15.05  ?  306 GLN C CD  1 
ATOM   1359 O OE1 . GLN B 1 62  ? 4.284   15.352  -17.211 1.00 16.04  ?  306 GLN C OE1 1 
ATOM   1360 N NE2 . GLN B 1 62  ? 4.913   14.111  -15.451 1.00 13.86  ?  306 GLN C NE2 1 
ATOM   1361 N N   . PHE B 1 63  ? -0.674  14.752  -15.012 1.00 11.73  ?  307 PHE C N   1 
ATOM   1362 C CA  . PHE B 1 63  ? -1.691  13.961  -15.694 1.00 12.23  ?  307 PHE C CA  1 
ATOM   1363 C C   . PHE B 1 63  ? -3.120  14.278  -15.219 1.00 11.92  ?  307 PHE C C   1 
ATOM   1364 O O   . PHE B 1 63  ? -4.066  13.818  -15.846 1.00 12.85  ?  307 PHE C O   1 
ATOM   1365 C CB  . PHE B 1 63  ? -1.369  12.476  -15.514 1.00 12.34  ?  307 PHE C CB  1 
ATOM   1366 C CG  . PHE B 1 63  ? -0.042  12.083  -16.142 1.00 13.07  ?  307 PHE C CG  1 
ATOM   1367 C CD1 . PHE B 1 63  ? 0.119   12.101  -17.527 1.00 13.71  ?  307 PHE C CD1 1 
ATOM   1368 C CD2 . PHE B 1 63  ? 1.037   11.700  -15.353 1.00 13.96  ?  307 PHE C CD2 1 
ATOM   1369 C CE1 . PHE B 1 63  ? 1.336   11.781  -18.102 1.00 14.40  ?  307 PHE C CE1 1 
ATOM   1370 C CE2 . PHE B 1 63  ? 2.263   11.385  -15.937 1.00 13.56  ?  307 PHE C CE2 1 
ATOM   1371 C CZ  . PHE B 1 63  ? 2.389   11.397  -17.306 1.00 14.32  ?  307 PHE C CZ  1 
ATOM   1372 N N   . ALA B 1 64  ? -3.295  15.035  -14.131 1.00 11.17  ?  308 ALA C N   1 
ATOM   1373 C CA  . ALA B 1 64  ? -4.625  15.338  -13.618 1.00 11.15  ?  308 ALA C CA  1 
ATOM   1374 C C   . ALA B 1 64  ? -5.324  16.383  -14.490 1.00 11.12  ?  308 ALA C C   1 
ATOM   1375 O O   . ALA B 1 64  ? -4.696  17.307  -15.004 1.00 11.76  ?  308 ALA C O   1 
ATOM   1376 C CB  . ALA B 1 64  ? -4.554  15.763  -12.175 1.00 11.15  ?  308 ALA C CB  1 
ATOM   1377 N N   . PRO B 1 65  ? -6.636  16.220  -14.769 1.00 10.48  ?  309 PRO C N   1 
ATOM   1378 C CA  . PRO B 1 65  ? -7.349  17.129  -15.673 1.00 9.86   ?  309 PRO C CA  1 
ATOM   1379 C C   . PRO B 1 65  ? -7.776  18.423  -15.013 1.00 9.71   ?  309 PRO C C   1 
ATOM   1380 O O   . PRO B 1 65  ? -8.163  18.415  -13.848 1.00 9.84   ?  309 PRO C O   1 
ATOM   1381 C CB  . PRO B 1 65  ? -8.577  16.349  -16.122 1.00 9.68   ?  309 PRO C CB  1 
ATOM   1382 C CG  . PRO B 1 65  ? -8.770  15.283  -15.050 1.00 9.50   ?  309 PRO C CG  1 
ATOM   1383 C CD  . PRO B 1 65  ? -7.473  15.106  -14.309 1.00 9.54   ?  309 PRO C CD  1 
ATOM   1384 N N   . SER B 1 66  ? -7.770  19.501  -15.809 1.00 9.97   ?  310 SER C N   1 
ATOM   1385 C CA  . SER B 1 66  ? -8.533  20.712  -15.514 1.00 10.38  ?  310 SER C CA  1 
ATOM   1386 C C   . SER B 1 66  ? -10.011 20.356  -15.367 1.00 10.30  ?  310 SER C C   1 
ATOM   1387 O O   . SER B 1 66  ? -10.433 19.319  -15.888 1.00 10.06  ?  310 SER C O   1 
ATOM   1388 C CB  . SER B 1 66  ? -8.353  21.758  -16.608 1.00 10.38  ?  310 SER C CB  1 
ATOM   1389 O OG  . SER B 1 66  ? -8.900  21.285  -17.832 1.00 10.36  ?  310 SER C OG  1 
ATOM   1390 N N   . ALA B 1 67  ? -10.797 21.237  -14.723 1.00 10.60  ?  311 ALA C N   1 
ATOM   1391 C CA  . ALA B 1 67  ? -12.243 21.046  -14.639 1.00 11.05  ?  311 ALA C CA  1 
ATOM   1392 C C   . ALA B 1 67  ? -12.854 20.935  -16.039 1.00 11.09  ?  311 ALA C C   1 
ATOM   1393 O O   . ALA B 1 67  ? -13.699 20.069  -16.305 1.00 10.39  ?  311 ALA C O   1 
ATOM   1394 C CB  . ALA B 1 67  ? -12.873 22.164  -13.832 1.00 11.69  ?  311 ALA C CB  1 
ATOM   1395 N N   . SER B 1 68  ? -12.362 21.771  -16.954 1.00 10.67  ?  312 SER C N   1 
ATOM   1396 C CA  . SER B 1 68  ? -12.855 21.803  -18.324 1.00 10.88  ?  312 SER C CA  1 
ATOM   1397 C C   . SER B 1 68  ? -12.598 20.458  -19.015 1.00 10.47  ?  312 SER C C   1 
ATOM   1398 O O   . SER B 1 68  ? -13.487 19.876  -19.634 1.00 10.26  ?  312 SER C O   1 
ATOM   1399 C CB  . SER B 1 68  ? -12.245 22.991  -19.076 1.00 11.68  ?  312 SER C CB  1 
ATOM   1400 O OG  . SER B 1 68  ? -12.798 23.161  -20.381 1.00 12.20  ?  312 SER C OG  1 
ATOM   1401 N N   . ALA B 1 69  ? -11.377 19.933  -18.884 1.00 10.54  ?  313 ALA C N   1 
ATOM   1402 C CA  . ALA B 1 69  ? -11.033 18.682  -19.538 1.00 10.12  ?  313 ALA C CA  1 
ATOM   1403 C C   . ALA B 1 69  ? -11.705 17.483  -18.868 1.00 9.85   ?  313 ALA C C   1 
ATOM   1404 O O   . ALA B 1 69  ? -12.030 16.499  -19.543 1.00 9.43   ?  313 ALA C O   1 
ATOM   1405 C CB  . ALA B 1 69  ? -9.542  18.526  -19.545 1.00 10.12  ?  313 ALA C CB  1 
ATOM   1406 N N   . PHE B 1 70  ? -11.882 17.538  -17.539 1.00 9.62   ?  314 PHE C N   1 
ATOM   1407 C CA  . PHE B 1 70  ? -12.642 16.507  -16.845 1.00 9.60   ?  314 PHE C CA  1 
ATOM   1408 C C   . PHE B 1 70  ? -14.020 16.357  -17.511 1.00 10.13  ?  314 PHE C C   1 
ATOM   1409 O O   . PHE B 1 70  ? -14.405 15.245  -17.881 1.00 10.55  ?  314 PHE C O   1 
ATOM   1410 C CB  . PHE B 1 70  ? -12.703 16.812  -15.350 1.00 9.21   ?  314 PHE C CB  1 
ATOM   1411 C CG  . PHE B 1 70  ? -13.451 15.750  -14.566 1.00 8.92   ?  314 PHE C CG  1 
ATOM   1412 C CD1 . PHE B 1 70  ? -12.824 14.558  -14.215 1.00 9.16   ?  314 PHE C CD1 1 
ATOM   1413 C CD2 . PHE B 1 70  ? -14.791 15.892  -14.265 1.00 9.11   ?  314 PHE C CD2 1 
ATOM   1414 C CE1 . PHE B 1 70  ? -13.514 13.552  -13.553 1.00 8.93   ?  314 PHE C CE1 1 
ATOM   1415 C CE2 . PHE B 1 70  ? -15.459 14.899  -13.557 1.00 9.48   ?  314 PHE C CE2 1 
ATOM   1416 C CZ  . PHE B 1 70  ? -14.822 13.729  -13.219 1.00 8.87   ?  314 PHE C CZ  1 
ATOM   1417 N N   . PHE B 1 71  ? -14.739 17.473  -17.735 1.00 10.45  ?  315 PHE C N   1 
ATOM   1418 C CA  . PHE B 1 71  ? -16.088 17.410  -18.301 1.00 10.64  ?  315 PHE C CA  1 
ATOM   1419 C C   . PHE B 1 71  ? -16.090 17.285  -19.823 1.00 11.02  ?  315 PHE C C   1 
ATOM   1420 O O   . PHE B 1 71  ? -17.093 16.847  -20.407 1.00 11.63  ?  315 PHE C O   1 
ATOM   1421 C CB  . PHE B 1 71  ? -16.906 18.597  -17.796 1.00 10.56  ?  315 PHE C CB  1 
ATOM   1422 C CG  . PHE B 1 71  ? -17.499 18.271  -16.435 1.00 9.67   ?  315 PHE C CG  1 
ATOM   1423 C CD1 . PHE B 1 71  ? -16.989 18.834  -15.271 1.00 9.49   ?  315 PHE C CD1 1 
ATOM   1424 C CD2 . PHE B 1 71  ? -18.510 17.327  -16.336 1.00 9.31   ?  315 PHE C CD2 1 
ATOM   1425 C CE1 . PHE B 1 71  ? -17.490 18.475  -14.030 1.00 9.10   ?  315 PHE C CE1 1 
ATOM   1426 C CE2 . PHE B 1 71  ? -19.032 16.999  -15.100 1.00 9.14   ?  315 PHE C CE2 1 
ATOM   1427 C CZ  . PHE B 1 71  ? -18.525 17.576  -13.950 1.00 9.14   ?  315 PHE C CZ  1 
ATOM   1428 N N   . GLY B 1 72  ? -14.946 17.632  -20.438 1.00 11.03  ?  316 GLY C N   1 
ATOM   1429 C CA  . GLY B 1 72  ? -14.749 17.588  -21.877 1.00 11.24  ?  316 GLY C CA  1 
ATOM   1430 C C   . GLY B 1 72  ? -14.335 16.200  -22.372 1.00 11.22  ?  316 GLY C C   1 
ATOM   1431 O O   . GLY B 1 72  ? -14.771 15.789  -23.436 1.00 10.87  ?  316 GLY C O   1 
ATOM   1432 N N   . MET B 1 73  ? -13.494 15.486  -21.610 1.00 11.64  ?  317 MET C N   1 
ATOM   1433 C CA  . MET B 1 73  ? -12.882 14.256  -22.092 1.00 12.18  ?  317 MET C CA  1 
ATOM   1434 C C   . MET B 1 73  ? -13.652 13.034  -21.589 1.00 12.00  ?  317 MET C C   1 
ATOM   1435 O O   . MET B 1 73  ? -13.699 12.012  -22.275 1.00 12.72  ?  317 MET C O   1 
ATOM   1436 C CB  . MET B 1 73  ? -11.437 14.121  -21.606 1.00 12.86  ?  317 MET C CB  1 
ATOM   1437 C CG  . MET B 1 73  ? -10.454 15.162  -22.108 1.00 14.44  ?  317 MET C CG  1 
ATOM   1438 S SD  . MET B 1 73  ? -8.770  14.935  -21.472 1.00 15.57  ?  317 MET C SD  1 
ATOM   1439 C CE  . MET B 1 73  ? -8.989  14.198  -19.853 1.00 16.11  ?  317 MET C CE  1 
ATOM   1440 N N   . SER B 1 74  ? -14.270 13.139  -20.405 1.00 11.47  ?  318 SER C N   1 
ATOM   1441 C CA  . SER B 1 74  ? -14.768 11.964  -19.706 1.00 11.65  ?  318 SER C CA  1 
ATOM   1442 C C   . SER B 1 74  ? -16.127 11.517  -20.250 1.00 12.20  ?  318 SER C C   1 
ATOM   1443 O O   . SER B 1 74  ? -16.866 12.299  -20.847 1.00 12.83  ?  318 SER C O   1 
ATOM   1444 C CB  . SER B 1 74  ? -14.864 12.213  -18.236 1.00 11.60  ?  318 SER C CB  1 
ATOM   1445 O OG  . SER B 1 74  ? -13.684 12.760  -17.677 1.00 11.23  ?  318 SER C OG  1 
ATOM   1446 N N   . ARG B 1 75  ? -16.430 10.258  -19.964 1.00 12.22  ?  319 ARG C N   1 
ATOM   1447 C CA  . ARG B 1 75  ? -17.794 9.746   -20.165 1.00 13.08  ?  319 ARG C CA  1 
ATOM   1448 C C   . ARG B 1 75  ? -18.479 9.982   -18.801 1.00 11.85  ?  319 ARG C C   1 
ATOM   1449 O O   . ARG B 1 75  ? -18.037 9.412   -17.807 1.00 12.58  ?  319 ARG C O   1 
ATOM   1450 C CB  . ARG B 1 75  ? -17.787 8.288   -20.624 1.00 14.08  ?  319 ARG C CB  1 
ATOM   1451 C CG  . ARG B 1 75  ? -16.793 8.024   -21.742 1.00 16.06  ?  319 ARG C CG  1 
ATOM   1452 C CD  . ARG B 1 75  ? -17.344 7.196   -22.884 1.00 17.59  ?  319 ARG C CD  1 
ATOM   1453 N NE  . ARG B 1 75  ? -18.805 7.172   -22.970 1.00 18.25  ?  319 ARG C NE  1 
ATOM   1454 C CZ  . ARG B 1 75  ? -19.518 7.721   -23.939 1.00 17.08  ?  319 ARG C CZ  1 
ATOM   1455 N NH1 . ARG B 1 75  ? -20.802 7.450   -24.034 1.00 17.52  ?  319 ARG C NH1 1 
ATOM   1456 N NH2 . ARG B 1 75  ? -18.951 8.538   -24.802 1.00 16.87  ?  319 ARG C NH2 1 
ATOM   1457 N N   . ILE B 1 76  ? -19.501 10.800  -18.773 1.00 11.15  ?  320 ILE C N   1 
ATOM   1458 C CA  . ILE B 1 76  ? -20.174 11.206  -17.553 1.00 10.77  ?  320 ILE C CA  1 
ATOM   1459 C C   . ILE B 1 76  ? -21.529 10.514  -17.520 1.00 11.14  ?  320 ILE C C   1 
ATOM   1460 O O   . ILE B 1 76  ? -22.218 10.505  -18.532 1.00 10.68  ?  320 ILE C O   1 
ATOM   1461 C CB  . ILE B 1 76  ? -20.322 12.736  -17.497 1.00 10.09  ?  320 ILE C CB  1 
ATOM   1462 C CG1 . ILE B 1 76  ? -18.988 13.471  -17.595 1.00 9.94   ?  320 ILE C CG1 1 
ATOM   1463 C CG2 . ILE B 1 76  ? -21.068 13.139  -16.227 1.00 10.09  ?  320 ILE C CG2 1 
ATOM   1464 C CD1 . ILE B 1 76  ? -18.067 13.222  -16.418 1.00 9.99   ?  320 ILE C CD1 1 
ATOM   1465 N N   . GLY B 1 77  ? -21.915 9.994   -16.347 1.00 11.71  ?  321 GLY C N   1 
ATOM   1466 C CA  . GLY B 1 77  ? -23.247 9.440   -16.144 1.00 12.51  ?  321 GLY C CA  1 
ATOM   1467 C C   . GLY B 1 77  ? -23.776 9.844   -14.770 1.00 13.47  ?  321 GLY C C   1 
ATOM   1468 O O   . GLY B 1 77  ? -23.040 10.431  -13.968 1.00 12.23  ?  321 GLY C O   1 
ATOM   1469 N N   . MET B 1 78  ? -25.031 9.501   -14.518 1.00 14.63  ?  322 MET C N   1 
ATOM   1470 C CA  . MET B 1 78  ? -25.639 9.775   -13.198 1.00 18.07  ?  322 MET C CA  1 
ATOM   1471 C C   . MET B 1 78  ? -26.471 8.557   -12.769 1.00 18.93  ?  322 MET C C   1 
ATOM   1472 O O   . MET B 1 78  ? -27.262 8.049   -13.571 1.00 21.44  ?  322 MET C O   1 
ATOM   1473 C CB  . MET B 1 78  ? -26.467 11.061  -13.192 1.00 21.17  ?  322 MET C CB  1 
ATOM   1474 C CG  . MET B 1 78  ? -27.052 11.421  -11.841 1.00 25.88  ?  322 MET C CG  1 
ATOM   1475 S SD  . MET B 1 78  ? -27.927 12.999  -11.833 1.00 36.06  ?  322 MET C SD  1 
ATOM   1476 C CE  . MET B 1 78  ? -26.553 14.150  -11.770 1.00 35.80  ?  322 MET C CE  1 
ATOM   1477 N N   . GLU B 1 79  ? -26.244 8.103   -11.559 1.00 18.83  ?  323 GLU C N   1 
ATOM   1478 C CA  . GLU B 1 79  ? -26.946 6.953   -11.010 1.00 20.98  ?  323 GLU C CA  1 
ATOM   1479 C C   . GLU B 1 79  ? -27.585 7.333   -9.684  1.00 18.08  ?  323 GLU C C   1 
ATOM   1480 O O   . GLU B 1 79  ? -26.929 7.949   -8.848  1.00 16.48  ?  323 GLU C O   1 
ATOM   1481 C CB  . GLU B 1 79  ? -25.947 5.826   -10.758 1.00 24.70  ?  323 GLU C CB  1 
ATOM   1482 C CG  . GLU B 1 79  ? -25.624 5.076   -12.040 1.00 32.18  ?  323 GLU C CG  1 
ATOM   1483 C CD  . GLU B 1 79  ? -24.417 4.180   -11.892 1.00 37.80  ?  323 GLU C CD  1 
ATOM   1484 O OE1 . GLU B 1 79  ? -24.288 3.581   -10.802 1.00 46.19  ?  323 GLU C OE1 1 
ATOM   1485 O OE2 . GLU B 1 79  ? -23.635 4.063   -12.867 1.00 47.16  ?  323 GLU C OE2 1 
ATOM   1486 N N   . VAL B 1 80  ? -28.850 6.947   -9.507  1.00 16.38  ?  324 VAL C N   1 
ATOM   1487 C CA  . VAL B 1 80  ? -29.569 7.148   -8.266  1.00 16.34  ?  324 VAL C CA  1 
ATOM   1488 C C   . VAL B 1 80  ? -29.686 5.784   -7.585  1.00 16.04  ?  324 VAL C C   1 
ATOM   1489 O O   . VAL B 1 80  ? -30.159 4.814   -8.174  1.00 14.43  ?  324 VAL C O   1 
ATOM   1490 C CB  . VAL B 1 80  ? -30.961 7.760   -8.539  1.00 17.15  ?  324 VAL C CB  1 
ATOM   1491 C CG1 . VAL B 1 80  ? -31.770 7.958   -7.269  1.00 16.43  ?  324 VAL C CG1 1 
ATOM   1492 C CG2 . VAL B 1 80  ? -30.858 9.103   -9.258  1.00 18.18  ?  324 VAL C CG2 1 
ATOM   1493 N N   . THR B 1 81  ? -29.206 5.694   -6.354  1.00 14.81  ?  325 THR C N   1 
ATOM   1494 C CA  . THR B 1 81  ? -29.223 4.439   -5.621  1.00 13.90  ?  325 THR C CA  1 
ATOM   1495 C C   . THR B 1 81  ? -29.639 4.750   -4.191  1.00 13.80  ?  325 THR C C   1 
ATOM   1496 O O   . THR B 1 81  ? -29.725 5.907   -3.802  1.00 12.37  ?  325 THR C O   1 
ATOM   1497 C CB  . THR B 1 81  ? -27.847 3.770   -5.646  1.00 13.74  ?  325 THR C CB  1 
ATOM   1498 O OG1 . THR B 1 81  ? -27.066 4.309   -4.585  1.00 12.65  ?  325 THR C OG1 1 
ATOM   1499 C CG2 . THR B 1 81  ? -27.115 3.949   -6.970  1.00 15.57  ?  325 THR C CG2 1 
ATOM   1500 N N   . PRO B 1 82  ? -29.847 3.737   -3.320  1.00 14.87  ?  326 PRO C N   1 
ATOM   1501 C CA  . PRO B 1 82  ? -30.248 4.043   -1.948  1.00 13.93  ?  326 PRO C CA  1 
ATOM   1502 C C   . PRO B 1 82  ? -29.240 4.887   -1.164  1.00 12.94  ?  326 PRO C C   1 
ATOM   1503 O O   . PRO B 1 82  ? -29.631 5.499   -0.185  1.00 12.98  ?  326 PRO C O   1 
ATOM   1504 C CB  . PRO B 1 82  ? -30.486 2.661   -1.339  1.00 14.98  ?  326 PRO C CB  1 
ATOM   1505 C CG  . PRO B 1 82  ? -30.771 1.783   -2.553  1.00 14.99  ?  326 PRO C CG  1 
ATOM   1506 C CD  . PRO B 1 82  ? -29.844 2.301   -3.627  1.00 14.82  ?  326 PRO C CD  1 
ATOM   1507 N N   . SER B 1 83  ? -27.973 4.962   -1.592  1.00 11.93  ?  327 SER C N   1 
ATOM   1508 C CA  . SER B 1 83  ? -26.985 5.771   -0.882  1.00 12.19  ?  327 SER C CA  1 
ATOM   1509 C C   . SER B 1 83  ? -27.027 7.239   -1.323  1.00 12.36  ?  327 SER C C   1 
ATOM   1510 O O   . SER B 1 83  ? -26.461 8.099   -0.650  1.00 12.25  ?  327 SER C O   1 
ATOM   1511 C CB  . SER B 1 83  ? -25.583 5.208   -1.004  1.00 12.37  ?  327 SER C CB  1 
ATOM   1512 O OG  . SER B 1 83  ? -25.111 5.158   -2.344  1.00 12.22  ?  327 SER C OG  1 
ATOM   1513 N N   . GLY B 1 84  ? -27.627 7.535   -2.484  1.00 11.28  ?  328 GLY C N   1 
ATOM   1514 C CA  . GLY B 1 84  ? -27.609 8.905   -2.980  1.00 11.64  ?  328 GLY C CA  1 
ATOM   1515 C C   . GLY B 1 84  ? -27.613 8.966   -4.508  1.00 11.06  ?  328 GLY C C   1 
ATOM   1516 O O   . GLY B 1 84  ? -27.855 7.959   -5.177  1.00 10.76  ?  328 GLY C O   1 
ATOM   1517 N N   . THR B 1 85  ? -27.346 10.162  -5.045  1.00 10.32  ?  329 THR C N   1 
ATOM   1518 C CA  . THR B 1 85  ? -27.206 10.352  -6.483  1.00 10.07  ?  329 THR C CA  1 
ATOM   1519 C C   . THR B 1 85  ? -25.721 10.578  -6.769  1.00 9.37   ?  329 THR C C   1 
ATOM   1520 O O   . THR B 1 85  ? -25.044 11.344  -6.068  1.00 8.72   ?  329 THR C O   1 
ATOM   1521 C CB  . THR B 1 85  ? -28.088 11.507  -6.954  1.00 10.15  ?  329 THR C CB  1 
ATOM   1522 O OG1 . THR B 1 85  ? -29.436 11.220  -6.597  1.00 9.66   ?  329 THR C OG1 1 
ATOM   1523 C CG2 . THR B 1 85  ? -28.008 11.738  -8.455  1.00 10.12  ?  329 THR C CG2 1 
ATOM   1524 N N   . TRP B 1 86  ? -25.205 9.837   -7.763  1.00 9.30   ?  330 TRP C N   1 
ATOM   1525 C CA  . TRP B 1 86  ? -23.783 9.754   -8.021  1.00 9.62   ?  330 TRP C CA  1 
ATOM   1526 C C   . TRP B 1 86  ? -23.480 10.214  -9.446  1.00 10.13  ?  330 TRP C C   1 
ATOM   1527 O O   . TRP B 1 86  ? -24.144 9.788   -10.391 1.00 10.52  ?  330 TRP C O   1 
ATOM   1528 C CB  . TRP B 1 86  ? -23.302 8.316   -7.766  1.00 9.92   ?  330 TRP C CB  1 
ATOM   1529 C CG  . TRP B 1 86  ? -23.423 7.867   -6.330  1.00 10.10  ?  330 TRP C CG  1 
ATOM   1530 C CD1 . TRP B 1 86  ? -24.535 7.354   -5.723  1.00 10.54  ?  330 TRP C CD1 1 
ATOM   1531 C CD2 . TRP B 1 86  ? -22.366 7.816   -5.345  1.00 10.08  ?  330 TRP C CD2 1 
ATOM   1532 N NE1 . TRP B 1 86  ? -24.252 7.012   -4.421  1.00 11.04  ?  330 TRP C NE1 1 
ATOM   1533 C CE2 . TRP B 1 86  ? -22.927 7.276   -4.169  1.00 10.49  ?  330 TRP C CE2 1 
ATOM   1534 C CE3 . TRP B 1 86  ? -21.009 8.167   -5.347  1.00 10.52  ?  330 TRP C CE3 1 
ATOM   1535 C CZ2 . TRP B 1 86  ? -22.175 7.085   -3.014  1.00 10.93  ?  330 TRP C CZ2 1 
ATOM   1536 C CZ3 . TRP B 1 86  ? -20.263 7.984   -4.196  1.00 10.75  ?  330 TRP C CZ3 1 
ATOM   1537 C CH2 . TRP B 1 86  ? -20.851 7.458   -3.040  1.00 11.31  ?  330 TRP C CH2 1 
ATOM   1538 N N   . LEU B 1 87  ? -22.493 11.089  -9.598  1.00 9.86   ?  331 LEU C N   1 
ATOM   1539 C CA  . LEU B 1 87  ? -21.973 11.462  -10.903 1.00 10.49  ?  331 LEU C CA  1 
ATOM   1540 C C   . LEU B 1 87  ? -20.849 10.495  -11.236 1.00 9.58   ?  331 LEU C C   1 
ATOM   1541 O O   . LEU B 1 87  ? -19.833 10.493  -10.533 1.00 9.42   ?  331 LEU C O   1 
ATOM   1542 C CB  . LEU B 1 87  ? -21.485 12.905  -10.823 1.00 12.87  ?  331 LEU C CB  1 
ATOM   1543 C CG  . LEU B 1 87  ? -21.044 13.592  -12.122 1.00 14.90  ?  331 LEU C CG  1 
ATOM   1544 C CD1 . LEU B 1 87  ? -22.199 13.673  -13.098 1.00 17.55  ?  331 LEU C CD1 1 
ATOM   1545 C CD2 . LEU B 1 87  ? -20.608 14.984  -11.834 1.00 14.91  ?  331 LEU C CD2 1 
ATOM   1546 N N   . THR B 1 88  ? -21.067 9.616   -12.225 1.00 8.77   ?  332 THR C N   1 
ATOM   1547 C CA  . THR B 1 88  ? -20.047 8.642   -12.592 1.00 8.98   ?  332 THR C CA  1 
ATOM   1548 C C   . THR B 1 88  ? -19.175 9.209   -13.713 1.00 8.81   ?  332 THR C C   1 
ATOM   1549 O O   . THR B 1 88  ? -19.633 10.023  -14.532 1.00 8.07   ?  332 THR C O   1 
ATOM   1550 C CB  . THR B 1 88  ? -20.656 7.284   -12.972 1.00 9.06   ?  332 THR C CB  1 
ATOM   1551 O OG1 . THR B 1 88  ? -21.478 7.474   -14.102 1.00 9.07   ?  332 THR C OG1 1 
ATOM   1552 C CG2 . THR B 1 88  ? -21.549 6.708   -11.895 1.00 9.37   ?  332 THR C CG2 1 
ATOM   1553 N N   . TYR B 1 89  ? -17.901 8.758   -13.752 1.00 8.41   ?  333 TYR C N   1 
ATOM   1554 C CA  . TYR B 1 89  ? -16.971 9.273   -14.747 1.00 8.53   ?  333 TYR C CA  1 
ATOM   1555 C C   . TYR B 1 89  ? -15.997 8.173   -15.154 1.00 9.06   ?  333 TYR C C   1 
ATOM   1556 O O   . TYR B 1 89  ? -15.578 7.403   -14.294 1.00 9.51   ?  333 TYR C O   1 
ATOM   1557 C CB  . TYR B 1 89  ? -16.241 10.511  -14.205 1.00 8.00   ?  333 TYR C CB  1 
ATOM   1558 C CG  . TYR B 1 89  ? -15.373 10.321  -12.967 1.00 7.52   ?  333 TYR C CG  1 
ATOM   1559 C CD1 . TYR B 1 89  ? -15.872 10.533  -11.696 1.00 7.31   ?  333 TYR C CD1 1 
ATOM   1560 C CD2 . TYR B 1 89  ? -14.038 9.951   -13.087 1.00 7.66   ?  333 TYR C CD2 1 
ATOM   1561 C CE1 . TYR B 1 89  ? -15.078 10.387  -10.573 1.00 7.44   ?  333 TYR C CE1 1 
ATOM   1562 C CE2 . TYR B 1 89  ? -13.225 9.807   -11.969 1.00 7.44   ?  333 TYR C CE2 1 
ATOM   1563 C CZ  . TYR B 1 89  ? -13.751 10.028  -10.710 1.00 7.34   ?  333 TYR C CZ  1 
ATOM   1564 O OH  . TYR B 1 89  ? -12.983 9.879   -9.600  1.00 7.58   ?  333 TYR C OH  1 
ATOM   1565 N N   . THR B 1 90  ? -15.714 8.064   -16.464 1.00 9.63   ?  334 THR C N   1 
ATOM   1566 C CA  . THR B 1 90  ? -14.633 7.225   -16.959 1.00 9.64   ?  334 THR C CA  1 
ATOM   1567 C C   . THR B 1 90  ? -13.938 7.993   -18.062 1.00 9.08   ?  334 THR C C   1 
ATOM   1568 O O   . THR B 1 90  ? -14.527 8.872   -18.684 1.00 8.51   ?  334 THR C O   1 
ATOM   1569 C CB  . THR B 1 90  ? -15.103 5.865   -17.487 1.00 10.81  ?  334 THR C CB  1 
ATOM   1570 O OG1 . THR B 1 90  ? -15.858 6.191   -18.659 1.00 12.65  ?  334 THR C OG1 1 
ATOM   1571 C CG2 . THR B 1 90  ? -15.963 5.101   -16.497 1.00 11.56  ?  334 THR C CG2 1 
ATOM   1572 N N   . GLY B 1 91  ? -12.646 7.713   -18.212 1.00 8.88   ?  335 GLY C N   1 
ATOM   1573 C CA  . GLY B 1 91  ? -11.896 8.249   -19.315 1.00 8.88   ?  335 GLY C CA  1 
ATOM   1574 C C   . GLY B 1 91  ? -10.472 7.733   -19.316 1.00 9.11   ?  335 GLY C C   1 
ATOM   1575 O O   . GLY B 1 91  ? -10.128 6.801   -18.582 1.00 8.84   ?  335 GLY C O   1 
ATOM   1576 N N   . ALA B 1 92  ? -9.683  8.317   -20.200 1.00 9.37   ?  336 ALA C N   1 
ATOM   1577 C CA  . ALA B 1 92  ? -8.308  7.888   -20.351 1.00 10.87  ?  336 ALA C CA  1 
ATOM   1578 C C   . ALA B 1 92  ? -7.500  9.053   -20.873 1.00 11.85  ?  336 ALA C C   1 
ATOM   1579 O O   . ALA B 1 92  ? -7.947  9.749   -21.766 1.00 12.62  ?  336 ALA C O   1 
ATOM   1580 C CB  . ALA B 1 92  ? -8.230  6.658   -21.262 1.00 11.18  ?  336 ALA C CB  1 
ATOM   1581 N N   . ILE B 1 93  ? -6.316  9.254   -20.284 1.00 13.27  ?  337 ILE C N   1 
ATOM   1582 C CA  . ILE B 1 93  ? -5.383  10.277  -20.706 1.00 13.54  ?  337 ILE C CA  1 
ATOM   1583 C C   . ILE B 1 93  ? -4.166  9.607   -21.347 1.00 15.40  ?  337 ILE C C   1 
ATOM   1584 O O   . ILE B 1 93  ? -3.560  8.712   -20.762 1.00 12.37  ?  337 ILE C O   1 
ATOM   1585 C CB  . ILE B 1 93  ? -5.029  11.090  -19.459 1.00 14.73  ?  337 ILE C CB  1 
ATOM   1586 C CG1 . ILE B 1 93  ? -6.285  11.802  -18.927 1.00 15.61  ?  337 ILE C CG1 1 
ATOM   1587 C CG2 . ILE B 1 93  ? -3.888  12.059  -19.720 1.00 14.36  ?  337 ILE C CG2 1 
ATOM   1588 C CD1 . ILE B 1 93  ? -6.213  12.120  -17.466 1.00 15.26  ?  337 ILE C CD1 1 
ATOM   1589 N N   . LYS B 1 94  ? -3.838  10.052  -22.565 1.00 16.78  ?  338 LYS C N   1 
ATOM   1590 C CA  . LYS B 1 94  ? -2.778  9.457   -23.354 1.00 19.57  ?  338 LYS C CA  1 
ATOM   1591 C C   . LYS B 1 94  ? -1.438  10.006  -22.860 1.00 18.83  ?  338 LYS C C   1 
ATOM   1592 O O   . LYS B 1 94  ? -1.239  11.210  -22.800 1.00 18.79  ?  338 LYS C O   1 
ATOM   1593 C CB  . LYS B 1 94  ? -2.922  9.770   -24.854 1.00 21.79  ?  338 LYS C CB  1 
ATOM   1594 C CG  . LYS B 1 94  ? -1.990  8.887   -25.677 1.00 26.13  ?  338 LYS C CG  1 
ATOM   1595 C CD  . LYS B 1 94  ? -1.752  9.285   -27.123 1.00 31.03  ?  338 LYS C CD  1 
ATOM   1596 C CE  . LYS B 1 94  ? -2.870  8.870   -28.000 1.00 34.40  ?  338 LYS C CE  1 
ATOM   1597 N NZ  . LYS B 1 94  ? -2.402  8.857   -29.392 1.00 38.18  ?  338 LYS C NZ  1 
ATOM   1598 N N   . LEU B 1 95  ? -0.524  9.112   -22.494 1.00 18.95  ?  339 LEU C N   1 
ATOM   1599 C CA  . LEU B 1 95  ? 0.857   9.505   -22.268 1.00 19.24  ?  339 LEU C CA  1 
ATOM   1600 C C   . LEU B 1 95  ? 1.540   9.786   -23.611 1.00 19.99  ?  339 LEU C C   1 
ATOM   1601 O O   . LEU B 1 95  ? 1.226   9.170   -24.652 1.00 16.73  ?  339 LEU C O   1 
ATOM   1602 C CB  . LEU B 1 95  ? 1.566   8.401   -21.488 1.00 19.69  ?  339 LEU C CB  1 
ATOM   1603 C CG  . LEU B 1 95  ? 1.376   8.464   -19.971 1.00 20.20  ?  339 LEU C CG  1 
ATOM   1604 C CD1 . LEU B 1 95  ? -0.041  8.193   -19.556 1.00 20.47  ?  339 LEU C CD1 1 
ATOM   1605 C CD2 . LEU B 1 95  ? 2.326   7.491   -19.274 1.00 21.55  ?  339 LEU C CD2 1 
ATOM   1606 N N   . ASP B 1 96  ? 2.520   10.696  -23.542 1.00 20.35  ?  340 ASP C N   1 
ATOM   1607 C CA  . ASP B 1 96  ? 3.333   11.061  -24.682 1.00 21.73  ?  340 ASP C CA  1 
ATOM   1608 C C   . ASP B 1 96  ? 4.549   10.143  -24.719 1.00 23.14  ?  340 ASP C C   1 
ATOM   1609 O O   . ASP B 1 96  ? 5.559   10.423  -24.085 1.00 22.11  ?  340 ASP C O   1 
ATOM   1610 C CB  . ASP B 1 96  ? 3.746   12.521  -24.583 1.00 23.94  ?  340 ASP C CB  1 
ATOM   1611 C CG  . ASP B 1 96  ? 4.555   13.085  -25.751 1.00 25.93  ?  340 ASP C CG  1 
ATOM   1612 O OD1 . ASP B 1 96  ? 5.024   14.240  -25.616 1.00 29.05  ?  340 ASP C OD1 1 
ATOM   1613 O OD2 . ASP B 1 96  ? 4.708   12.384  -26.771 1.00 22.05  ?  340 ASP C OD2 1 
ATOM   1614 N N   . ASP B 1 97  ? 4.471   9.073   -25.511 1.00 24.32  ?  341 ASP C N   1 
ATOM   1615 C CA  . ASP B 1 97  ? 5.578   8.134   -25.635 1.00 28.31  ?  341 ASP C CA  1 
ATOM   1616 C C   . ASP B 1 97  ? 6.719   8.689   -26.493 1.00 27.91  ?  341 ASP C C   1 
ATOM   1617 O O   . ASP B 1 97  ? 7.707   8.000   -26.668 1.00 30.79  ?  341 ASP C O   1 
ATOM   1618 C CB  . ASP B 1 97  ? 5.124   6.787   -26.176 1.00 31.74  ?  341 ASP C CB  1 
ATOM   1619 C CG  . ASP B 1 97  ? 4.409   6.826   -27.518 1.00 36.71  ?  341 ASP C CG  1 
ATOM   1620 O OD1 . ASP B 1 97  ? 3.450   6.054   -27.677 1.00 45.93  ?  341 ASP C OD1 1 
ATOM   1621 O OD2 . ASP B 1 97  ? 4.812   7.624   -28.389 1.00 37.30  ?  341 ASP C OD2 1 
ATOM   1622 N N   . LYS B 1 98  ? 6.588   9.904   -27.025 1.00 27.20  ?  342 LYS C N   1 
ATOM   1623 C CA  . LYS B 1 98  ? 7.704   10.618  -27.620 1.00 33.18  ?  342 LYS C CA  1 
ATOM   1624 C C   . LYS B 1 98  ? 8.509   11.371  -26.557 1.00 28.49  ?  342 LYS C C   1 
ATOM   1625 O O   . LYS B 1 98  ? 9.638   11.759  -26.819 1.00 28.21  ?  342 LYS C O   1 
ATOM   1626 C CB  . LYS B 1 98  ? 7.222   11.615  -28.682 1.00 38.58  ?  342 LYS C CB  1 
ATOM   1627 C CG  . LYS B 1 98  ? 6.516   10.984  -29.865 1.00 45.30  ?  342 LYS C CG  1 
ATOM   1628 C CD  . LYS B 1 98  ? 7.322   9.851   -30.493 1.00 52.05  ?  342 LYS C CD  1 
ATOM   1629 C CE  . LYS B 1 98  ? 7.058   9.700   -31.970 1.00 57.04  ?  342 LYS C CE  1 
ATOM   1630 N NZ  . LYS B 1 98  ? 7.885   8.639   -32.553 1.00 58.18  ?  342 LYS C NZ  1 
ATOM   1631 N N   . ASP B 1 99  ? 7.923   11.597  -25.375 1.00 24.21  ?  343 ASP C N   1 
ATOM   1632 C CA  . ASP B 1 99  ? 8.617   12.244  -24.271 1.00 21.18  ?  343 ASP C CA  1 
ATOM   1633 C C   . ASP B 1 99  ? 9.798   11.377  -23.841 1.00 19.95  ?  343 ASP C C   1 
ATOM   1634 O O   . ASP B 1 99  ? 9.655   10.193  -23.526 1.00 19.58  ?  343 ASP C O   1 
ATOM   1635 C CB  . ASP B 1 99  ? 7.650   12.526  -23.135 1.00 22.46  ?  343 ASP C CB  1 
ATOM   1636 C CG  . ASP B 1 99  ? 8.136   13.507  -22.075 1.00 22.78  ?  343 ASP C CG  1 
ATOM   1637 O OD1 . ASP B 1 99  ? 7.276   14.048  -21.383 1.00 24.72  ?  343 ASP C OD1 1 
ATOM   1638 O OD2 . ASP B 1 99  ? 9.365   13.657  -21.914 1.00 21.75  ?  343 ASP C OD2 1 
ATOM   1639 N N   . PRO B 1 100 ? 11.036  11.909  -23.822 1.00 19.36  ?  344 PRO C N   1 
ATOM   1640 C CA  . PRO B 1 100 ? 12.152  11.140  -23.260 1.00 19.41  ?  344 PRO C CA  1 
ATOM   1641 C C   . PRO B 1 100 ? 11.903  10.614  -21.835 1.00 18.88  ?  344 PRO C C   1 
ATOM   1642 O O   . PRO B 1 100 ? 12.483  9.623   -21.415 1.00 21.35  ?  344 PRO C O   1 
ATOM   1643 C CB  . PRO B 1 100 ? 13.285  12.160  -23.309 1.00 19.84  ?  344 PRO C CB  1 
ATOM   1644 C CG  . PRO B 1 100 ? 12.897  13.122  -24.393 1.00 20.78  ?  344 PRO C CG  1 
ATOM   1645 C CD  . PRO B 1 100 ? 11.395  13.250  -24.312 1.00 19.27  ?  344 PRO C CD  1 
ATOM   1646 N N   . ASN B 1 101 ? 11.028  11.278  -21.085 1.00 18.97  ?  345 ASN C N   1 
ATOM   1647 C CA  . ASN B 1 101 ? 10.737  10.909  -19.705 1.00 20.99  ?  345 ASN C CA  1 
ATOM   1648 C C   . ASN B 1 101 ? 9.626   9.868   -19.598 1.00 19.28  ?  345 ASN C C   1 
ATOM   1649 O O   . ASN B 1 101 ? 9.250   9.521   -18.486 1.00 19.09  ?  345 ASN C O   1 
ATOM   1650 C CB  . ASN B 1 101 ? 10.284  12.127  -18.917 1.00 23.19  ?  345 ASN C CB  1 
ATOM   1651 C CG  . ASN B 1 101 ? 11.411  13.118  -18.811 1.00 26.14  ?  345 ASN C CG  1 
ATOM   1652 O OD1 . ASN B 1 101 ? 12.421  12.809  -18.168 1.00 31.25  ?  345 ASN C OD1 1 
ATOM   1653 N ND2 . ASN B 1 101 ? 11.273  14.266  -19.460 1.00 24.68  ?  345 ASN C ND2 1 
ATOM   1654 N N   . PHE B 1 102 ? 9.124   9.384   -20.752 1.00 18.89  ?  346 PHE C N   1 
ATOM   1655 C CA  . PHE B 1 102 ? 7.997   8.466   -20.833 1.00 18.58  ?  346 PHE C CA  1 
ATOM   1656 C C   . PHE B 1 102 ? 8.208   7.232   -19.957 1.00 19.62  ?  346 PHE C C   1 
ATOM   1657 O O   . PHE B 1 102 ? 7.301   6.858   -19.193 1.00 18.94  ?  346 PHE C O   1 
ATOM   1658 C CB  . PHE B 1 102 ? 7.732   8.078   -22.289 1.00 18.68  ?  346 PHE C CB  1 
ATOM   1659 C CG  . PHE B 1 102 ? 6.733   6.947   -22.477 1.00 19.72  ?  346 PHE C CG  1 
ATOM   1660 C CD1 . PHE B 1 102 ? 7.165   5.657   -22.728 1.00 21.15  ?  346 PHE C CD1 1 
ATOM   1661 C CD2 . PHE B 1 102 ? 5.365   7.175   -22.371 1.00 20.91  ?  346 PHE C CD2 1 
ATOM   1662 C CE1 . PHE B 1 102 ? 6.258   4.625   -22.875 1.00 22.54  ?  346 PHE C CE1 1 
ATOM   1663 C CE2 . PHE B 1 102 ? 4.463   6.141   -22.538 1.00 20.71  ?  346 PHE C CE2 1 
ATOM   1664 C CZ  . PHE B 1 102 ? 4.909   4.872   -22.785 1.00 22.19  ?  346 PHE C CZ  1 
ATOM   1665 N N   . LYS B 1 103 ? 9.372   6.575   -20.082 1.00 19.00  ?  347 LYS C N   1 
ATOM   1666 C CA  . LYS B 1 103 ? 9.616   5.364   -19.311 1.00 21.20  ?  347 LYS C CA  1 
ATOM   1667 C C   . LYS B 1 103 ? 9.460   5.633   -17.815 1.00 19.41  ?  347 LYS C C   1 
ATOM   1668 O O   . LYS B 1 103 ? 8.866   4.835   -17.098 1.00 17.12  ?  347 LYS C O   1 
ATOM   1669 C CB  . LYS B 1 103 ? 11.042  4.812   -19.464 1.00 27.47  ?  347 LYS C CB  1 
ATOM   1670 C CG  . LYS B 1 103 ? 11.381  3.983   -20.695 1.00 37.41  ?  347 LYS C CG  1 
ATOM   1671 C CD  . LYS B 1 103 ? 12.894  3.792   -20.846 1.00 44.43  ?  347 LYS C CD  1 
ATOM   1672 C CE  . LYS B 1 103 ? 13.331  2.726   -21.813 1.00 50.51  ?  347 LYS C CE  1 
ATOM   1673 N NZ  . LYS B 1 103 ? 13.368  3.152   -23.215 1.00 54.24  ?  347 LYS C NZ  1 
ATOM   1674 N N   . ASP B 1 104 ? 10.056  6.734   -17.342 1.00 18.51  ?  348 ASP C N   1 
ATOM   1675 C CA  . ASP B 1 104 ? 10.050  7.089   -15.931 1.00 18.52  ?  348 ASP C CA  1 
ATOM   1676 C C   . ASP B 1 104 ? 8.639   7.418   -15.449 1.00 17.52  ?  348 ASP C C   1 
ATOM   1677 O O   . ASP B 1 104 ? 8.268   7.067   -14.322 1.00 16.63  ?  348 ASP C O   1 
ATOM   1678 C CB  . ASP B 1 104 ? 11.019  8.223   -15.669 1.00 20.87  ?  348 ASP C CB  1 
ATOM   1679 C CG  . ASP B 1 104 ? 12.494  7.850   -15.761 1.00 23.32  ?  348 ASP C CG  1 
ATOM   1680 O OD1 . ASP B 1 104 ? 13.310  8.760   -15.956 1.00 27.83  ?  348 ASP C OD1 1 
ATOM   1681 O OD2 . ASP B 1 104 ? 12.828  6.663   -15.587 1.00 27.17  ?  348 ASP C OD2 1 
ATOM   1682 N N   . GLN B 1 105 ? 7.847   8.060   -16.314 1.00 16.14  ?  349 GLN C N   1 
ATOM   1683 C CA  . GLN B 1 105 ? 6.443   8.298   -16.012 1.00 15.87  ?  349 GLN C CA  1 
ATOM   1684 C C   . GLN B 1 105 ? 5.732   6.984   -15.756 1.00 15.32  ?  349 GLN C C   1 
ATOM   1685 O O   . GLN B 1 105 ? 4.944   6.894   -14.812 1.00 15.08  ?  349 GLN C O   1 
ATOM   1686 C CB  . GLN B 1 105 ? 5.725   9.003   -17.162 1.00 16.14  ?  349 GLN C CB  1 
ATOM   1687 C CG  . GLN B 1 105 ? 6.195   10.442  -17.307 1.00 16.35  ?  349 GLN C CG  1 
ATOM   1688 C CD  . GLN B 1 105 ? 5.828   11.079  -18.622 1.00 16.31  ?  349 GLN C CD  1 
ATOM   1689 O OE1 . GLN B 1 105 ? 5.058   10.547  -19.431 1.00 17.38  ?  349 GLN C OE1 1 
ATOM   1690 N NE2 . GLN B 1 105 ? 6.362   12.271  -18.790 1.00 15.84  ?  349 GLN C NE2 1 
ATOM   1691 N N   . VAL B 1 106 ? 5.981   6.006   -16.643 1.00 14.44  ?  350 VAL C N   1 
ATOM   1692 C CA  . VAL B 1 106 ? 5.285   4.742   -16.587 1.00 15.00  ?  350 VAL C CA  1 
ATOM   1693 C C   . VAL B 1 106 ? 5.714   4.052   -15.291 1.00 14.13  ?  350 VAL C C   1 
ATOM   1694 O O   . VAL B 1 106 ? 4.882   3.523   -14.571 1.00 15.14  ?  350 VAL C O   1 
ATOM   1695 C CB  . VAL B 1 106 ? 5.489   3.850   -17.827 1.00 16.59  ?  350 VAL C CB  1 
ATOM   1696 C CG1 . VAL B 1 106 ? 4.976   2.427   -17.607 1.00 17.21  ?  350 VAL C CG1 1 
ATOM   1697 C CG2 . VAL B 1 106 ? 4.845   4.451   -19.077 1.00 16.53  ?  350 VAL C CG2 1 
ATOM   1698 N N   . ILE B 1 107 ? 6.997   4.106   -14.959 1.00 13.55  ?  351 ILE C N   1 
ATOM   1699 C CA  . ILE B 1 107 ? 7.467   3.507   -13.716 1.00 13.51  ?  351 ILE C CA  1 
ATOM   1700 C C   . ILE B 1 107 ? 6.772   4.141   -12.514 1.00 12.85  ?  351 ILE C C   1 
ATOM   1701 O O   . ILE B 1 107 ? 6.324   3.430   -11.613 1.00 12.51  ?  351 ILE C O   1 
ATOM   1702 C CB  . ILE B 1 107 ? 8.997   3.585   -13.630 1.00 13.84  ?  351 ILE C CB  1 
ATOM   1703 C CG1 . ILE B 1 107 ? 9.610   2.613   -14.663 1.00 15.09  ?  351 ILE C CG1 1 
ATOM   1704 C CG2 . ILE B 1 107 ? 9.493   3.317   -12.204 1.00 13.90  ?  351 ILE C CG2 1 
ATOM   1705 C CD1 . ILE B 1 107 ? 11.086  2.824   -14.937 1.00 15.83  ?  351 ILE C CD1 1 
ATOM   1706 N N   . LEU B 1 108 ? 6.706   5.477   -12.491 1.00 12.62  ?  352 LEU C N   1 
ATOM   1707 C CA  . LEU B 1 108 ? 6.146   6.203   -11.364 1.00 13.00  ?  352 LEU C CA  1 
ATOM   1708 C C   . LEU B 1 108 ? 4.666   5.861   -11.160 1.00 12.97  ?  352 LEU C C   1 
ATOM   1709 O O   . LEU B 1 108 ? 4.231   5.596   -10.038 1.00 13.13  ?  352 LEU C O   1 
ATOM   1710 C CB  . LEU B 1 108 ? 6.358   7.700   -11.579 1.00 13.42  ?  352 LEU C CB  1 
ATOM   1711 C CG  . LEU B 1 108 ? 5.664   8.607   -10.557 1.00 14.37  ?  352 LEU C CG  1 
ATOM   1712 C CD1 . LEU B 1 108 ? 6.253   8.398   -9.183  1.00 14.73  ?  352 LEU C CD1 1 
ATOM   1713 C CD2 . LEU B 1 108 ? 5.771   10.054  -11.003 1.00 14.32  ?  352 LEU C CD2 1 
ATOM   1714 N N   . LEU B 1 109 ? 3.889   5.880   -12.238 1.00 12.73  ?  353 LEU C N   1 
ATOM   1715 C CA  . LEU B 1 109 ? 2.477   5.561   -12.154 1.00 14.37  ?  353 LEU C CA  1 
ATOM   1716 C C   . LEU B 1 109 ? 2.284   4.119   -11.678 1.00 15.14  ?  353 LEU C C   1 
ATOM   1717 O O   . LEU B 1 109 ? 1.544   3.900   -10.729 1.00 13.82  ?  353 LEU C O   1 
ATOM   1718 C CB  . LEU B 1 109 ? 1.794   5.870   -13.481 1.00 14.61  ?  353 LEU C CB  1 
ATOM   1719 C CG  . LEU B 1 109 ? 1.739   7.363   -13.805 1.00 14.76  ?  353 LEU C CG  1 
ATOM   1720 C CD1 . LEU B 1 109 ? 1.442   7.611   -15.259 1.00 15.53  ?  353 LEU C CD1 1 
ATOM   1721 C CD2 . LEU B 1 109 ? 0.700   8.078   -12.927 1.00 15.00  ?  353 LEU C CD2 1 
ATOM   1722 N N   . ASN B 1 110 ? 3.041   3.162   -12.238 1.00 16.96  ?  354 ASN C N   1 
ATOM   1723 C CA  . ASN B 1 110 ? 2.871   1.765   -11.859 1.00 17.91  ?  354 ASN C CA  1 
ATOM   1724 C C   . ASN B 1 110 ? 3.233   1.550   -10.396 1.00 16.27  ?  354 ASN C C   1 
ATOM   1725 O O   . ASN B 1 110 ? 2.638   0.691   -9.746  1.00 14.70  ?  354 ASN C O   1 
ATOM   1726 C CB  . ASN B 1 110 ? 3.673   0.789   -12.708 1.00 20.26  ?  354 ASN C CB  1 
ATOM   1727 C CG  . ASN B 1 110 ? 2.968   0.471   -14.003 1.00 24.19  ?  354 ASN C CG  1 
ATOM   1728 O OD1 . ASN B 1 110 ? 1.733   0.430   -14.052 1.00 26.39  ?  354 ASN C OD1 1 
ATOM   1729 N ND2 . ASN B 1 110 ? 3.728   0.281   -15.070 1.00 26.52  ?  354 ASN C ND2 1 
ATOM   1730 N N   . LYS B 1 111 ? 4.192   2.336   -9.896  1.00 15.23  ?  355 LYS C N   1 
ATOM   1731 C CA  . LYS B 1 111 ? 4.600   2.232   -8.509  1.00 16.46  ?  355 LYS C CA  1 
ATOM   1732 C C   . LYS B 1 111 ? 3.420   2.484   -7.572  1.00 14.28  ?  355 LYS C C   1 
ATOM   1733 O O   . LYS B 1 111 ? 3.401   1.924   -6.485  1.00 14.62  ?  355 LYS C O   1 
ATOM   1734 C CB  . LYS B 1 111 ? 5.698   3.226   -8.141  1.00 19.39  ?  355 LYS C CB  1 
ATOM   1735 C CG  . LYS B 1 111 ? 6.284   3.085   -6.754  1.00 24.20  ?  355 LYS C CG  1 
ATOM   1736 C CD  . LYS B 1 111 ? 7.599   3.833   -6.517  1.00 29.75  ?  355 LYS C CD  1 
ATOM   1737 C CE  . LYS B 1 111 ? 7.577   5.306   -6.810  1.00 33.39  ?  355 LYS C CE  1 
ATOM   1738 N NZ  . LYS B 1 111 ? 8.911   5.931   -6.752  1.00 37.13  ?  355 LYS C NZ  1 
ATOM   1739 N N   . HIS B 1 112 ? 2.507   3.386   -7.963  1.00 12.22  ?  356 HIS C N   1 
ATOM   1740 C CA  . HIS B 1 112 ? 1.395   3.810   -7.121  1.00 11.61  ?  356 HIS C CA  1 
ATOM   1741 C C   . HIS B 1 112 ? 0.104   3.024   -7.377  1.00 11.21  ?  356 HIS C C   1 
ATOM   1742 O O   . HIS B 1 112 ? -0.710  2.822   -6.450  1.00 12.36  ?  356 HIS C O   1 
ATOM   1743 C CB  . HIS B 1 112 ? 1.208   5.332   -7.241  1.00 11.02  ?  356 HIS C CB  1 
ATOM   1744 C CG  . HIS B 1 112 ? 2.327   6.094   -6.659  1.00 10.53  ?  356 HIS C CG  1 
ATOM   1745 N ND1 . HIS B 1 112 ? 2.541   6.147   -5.298  1.00 10.35  ?  356 HIS C ND1 1 
ATOM   1746 C CD2 . HIS B 1 112 ? 3.355   6.744   -7.228  1.00 10.34  ?  356 HIS C CD2 1 
ATOM   1747 C CE1 . HIS B 1 112 ? 3.634   6.858   -5.054  1.00 10.52  ?  356 HIS C CE1 1 
ATOM   1748 N NE2 . HIS B 1 112 ? 4.148   7.233   -6.217  1.00 10.89  ?  356 HIS C NE2 1 
ATOM   1749 N N   . ILE B 1 113 ? -0.099  2.553   -8.611  1.00 11.30  ?  357 ILE C N   1 
ATOM   1750 C CA  . ILE B 1 113 ? -1.289  1.798   -8.970  1.00 11.10  ?  357 ILE C CA  1 
ATOM   1751 C C   . ILE B 1 113 ? -1.289  0.459   -8.232  1.00 11.59  ?  357 ILE C C   1 
ATOM   1752 O O   . ILE B 1 113 ? -0.424  -0.385  -8.452  1.00 11.39  ?  357 ILE C O   1 
ATOM   1753 C CB  . ILE B 1 113 ? -1.388  1.588   -10.489 1.00 10.95  ?  357 ILE C CB  1 
ATOM   1754 C CG1 . ILE B 1 113 ? -1.574  2.902   -11.251 1.00 11.04  ?  357 ILE C CG1 1 
ATOM   1755 C CG2 . ILE B 1 113 ? -2.506  0.614   -10.827 1.00 10.86  ?  357 ILE C CG2 1 
ATOM   1756 C CD1 . ILE B 1 113 ? -1.445  2.746   -12.759 1.00 11.02  ?  357 ILE C CD1 1 
ATOM   1757 N N   . ASP B 1 114 ? -2.274  0.284   -7.343  1.00 11.29  ?  358 ASP C N   1 
ATOM   1758 C CA  . ASP B 1 114 ? -2.455  -0.964  -6.622  1.00 11.48  ?  358 ASP C CA  1 
ATOM   1759 C C   . ASP B 1 114 ? -1.289  -1.263  -5.691  1.00 11.05  ?  358 ASP C C   1 
ATOM   1760 O O   . ASP B 1 114 ? -1.112  -2.424  -5.303  1.00 11.89  ?  358 ASP C O   1 
ATOM   1761 C CB  . ASP B 1 114 ? -2.673  -2.137  -7.561  1.00 11.88  ?  358 ASP C CB  1 
ATOM   1762 C CG  . ASP B 1 114 ? -4.047  -2.196  -8.202  1.00 12.40  ?  358 ASP C CG  1 
ATOM   1763 O OD1 . ASP B 1 114 ? -4.982  -1.528  -7.719  1.00 12.74  ?  358 ASP C OD1 1 
ATOM   1764 O OD2 . ASP B 1 114 ? -4.161  -2.899  -9.187  1.00 13.19  ?  358 ASP C OD2 1 
ATOM   1765 N N   . ALA B 1 115 ? -0.574  -0.229  -5.242  1.00 10.68  ?  359 ALA C N   1 
ATOM   1766 C CA  . ALA B 1 115 ? 0.527   -0.448  -4.316  1.00 11.50  ?  359 ALA C CA  1 
ATOM   1767 C C   . ALA B 1 115 ? 0.004   -1.003  -2.979  1.00 11.36  ?  359 ALA C C   1 
ATOM   1768 O O   . ALA B 1 115 ? 0.684   -1.819  -2.334  1.00 11.49  ?  359 ALA C O   1 
ATOM   1769 C CB  . ALA B 1 115 ? 1.311   0.824   -4.162  1.00 11.83  ?  359 ALA C CB  1 
ATOM   1770 N N   . TYR B 1 116 ? -1.246  -0.648  -2.639  1.00 11.56  ?  360 TYR C N   1 
ATOM   1771 C CA  . TYR B 1 116 ? -1.860  -1.004  -1.362  1.00 12.14  ?  360 TYR C CA  1 
ATOM   1772 C C   . TYR B 1 116 ? -1.878  -2.526  -1.168  1.00 12.64  ?  360 TYR C C   1 
ATOM   1773 O O   . TYR B 1 116 ? -1.964  -3.026  -0.042  1.00 12.25  ?  360 TYR C O   1 
ATOM   1774 C CB  . TYR B 1 116 ? -3.264  -0.383  -1.242  1.00 12.56  ?  360 TYR C CB  1 
ATOM   1775 C CG  . TYR B 1 116 ? -4.285  -1.184  -2.046  1.00 12.71  ?  360 TYR C CG  1 
ATOM   1776 C CD1 . TYR B 1 116 ? -4.904  -2.307  -1.508  1.00 13.89  ?  360 TYR C CD1 1 
ATOM   1777 C CD2 . TYR B 1 116 ? -4.529  -0.897  -3.378  1.00 12.87  ?  360 TYR C CD2 1 
ATOM   1778 C CE1 . TYR B 1 116 ? -5.771  -3.091  -2.266  1.00 14.30  ?  360 TYR C CE1 1 
ATOM   1779 C CE2 . TYR B 1 116 ? -5.398  -1.658  -4.142  1.00 13.31  ?  360 TYR C CE2 1 
ATOM   1780 C CZ  . TYR B 1 116 ? -6.012  -2.769  -3.592  1.00 14.29  ?  360 TYR C CZ  1 
ATOM   1781 O OH  . TYR B 1 116 ? -6.865  -3.525  -4.355  1.00 14.49  ?  360 TYR C OH  1 
ATOM   1782 N N   . LYS B 1 117 ? -1.791  -3.292  -2.259  1.00 13.37  ?  361 LYS C N   1 
ATOM   1783 C CA  . LYS B 1 117 ? -1.845  -4.744  -2.163  1.00 14.41  ?  361 LYS C CA  1 
ATOM   1784 C C   . LYS B 1 117 ? -0.686  -5.315  -1.346  1.00 15.37  ?  361 LYS C C   1 
ATOM   1785 O O   . LYS B 1 117 ? -0.837  -6.385  -0.769  1.00 15.66  ?  361 LYS C O   1 
ATOM   1786 C CB  . LYS B 1 117 ? -1.874  -5.403  -3.541  1.00 16.03  ?  361 LYS C CB  1 
ATOM   1787 C CG  . LYS B 1 117 ? -3.188  -5.178  -4.270  1.00 18.32  ?  361 LYS C CG  1 
ATOM   1788 C CD  . LYS B 1 117 ? -3.305  -6.037  -5.520  1.00 21.52  ?  361 LYS C CD  1 
ATOM   1789 C CE  . LYS B 1 117 ? -4.541  -5.662  -6.239  1.00 25.00  ?  361 LYS C CE  1 
ATOM   1790 N NZ  . LYS B 1 117 ? -4.730  -6.546  -7.385  1.00 30.40  ?  361 LYS C NZ  1 
ATOM   1791 N N   . THR B 1 118 ? 0.429   -4.578  -1.261  1.00 15.90  ?  362 THR C N   1 
ATOM   1792 C CA  . THR B 1 118 ? 1.674   -5.101  -0.715  1.00 16.81  ?  362 THR C CA  1 
ATOM   1793 C C   . THR B 1 118 ? 1.831   -4.730  0.755   1.00 16.23  ?  362 THR C C   1 
ATOM   1794 O O   . THR B 1 118 ? 2.842   -5.100  1.340   1.00 16.97  ?  362 THR C O   1 
ATOM   1795 C CB  . THR B 1 118 ? 2.883   -4.595  -1.520  1.00 16.99  ?  362 THR C CB  1 
ATOM   1796 O OG1 . THR B 1 118 ? 2.972   -3.174  -1.430  1.00 16.16  ?  362 THR C OG1 1 
ATOM   1797 C CG2 . THR B 1 118 ? 2.819   -4.995  -2.981  1.00 17.21  ?  362 THR C CG2 1 
ATOM   1798 N N   . PHE B 1 119 ? 0.824   -4.087  1.328   1.00 14.65  ?  363 PHE C N   1 
ATOM   1799 C CA  . PHE B 1 119 ? 0.937   -3.621  2.729   1.00 15.65  ?  363 PHE C CA  1 
ATOM   1800 C C   . PHE B 1 119 ? -0.438  -3.569  3.403   1.00 14.86  ?  363 PHE C C   1 
ATOM   1801 O O   . PHE B 1 119 ? -1.460  -3.475  2.752   1.00 15.04  ?  363 PHE C O   1 
ATOM   1802 C CB  . PHE B 1 119 ? 1.669   -2.280  2.830   1.00 16.19  ?  363 PHE C CB  1 
ATOM   1803 C CG  . PHE B 1 119 ? 1.075   -1.108  2.061   1.00 14.92  ?  363 PHE C CG  1 
ATOM   1804 C CD1 . PHE B 1 119 ? 1.650   -0.675  0.874   1.00 15.52  ?  363 PHE C CD1 1 
ATOM   1805 C CD2 . PHE B 1 119 ? -0.032  -0.421  2.543   1.00 15.91  ?  363 PHE C CD2 1 
ATOM   1806 C CE1 . PHE B 1 119 ? 1.119   0.400   0.182   1.00 14.69  ?  363 PHE C CE1 1 
ATOM   1807 C CE2 . PHE B 1 119 ? -0.560  0.653   1.845   1.00 15.21  ?  363 PHE C CE2 1 
ATOM   1808 C CZ  . PHE B 1 119 ? 0.017   1.058   0.668   1.00 14.60  ?  363 PHE C CZ  1 
ATOM   1809 N N   . PRO B 1 120 ? -0.474  -3.647  4.741   1.00 14.95  ?  364 PRO C N   1 
ATOM   1810 C CA  . PRO B 1 120 ? -1.732  -3.522  5.455   1.00 14.38  ?  364 PRO C CA  1 
ATOM   1811 C C   . PRO B 1 120 ? -2.380  -2.154  5.225   1.00 13.43  ?  364 PRO C C   1 
ATOM   1812 O O   . PRO B 1 120 ? -3.533  -2.308  4.841   1.00 15.58  ?  364 PRO C O   1 
ATOM   1813 C CB  . PRO B 1 120 ? -1.360  -3.772  6.920   1.00 14.89  ?  364 PRO C CB  1 
ATOM   1814 C CG  . PRO B 1 120 ? -0.020  -4.464  6.855   1.00 15.60  ?  364 PRO C CG  1 
ATOM   1815 C CD  . PRO B 1 120 ? 0.656   -3.906  5.616   1.00 15.27  ?  364 PRO C CD  1 
ATOM   1816 N N   . GLU C 1 9   ? 19.488  -27.561 29.916  1.00 64.83  ?  253 GLU B N   1 
ATOM   1817 C CA  . GLU C 1 9   ? 20.052  -28.043 28.625  1.00 68.96  ?  253 GLU B CA  1 
ATOM   1818 C C   . GLU C 1 9   ? 19.420  -27.254 27.478  1.00 64.72  ?  253 GLU B C   1 
ATOM   1819 O O   . GLU C 1 9   ? 20.106  -26.516 26.771  1.00 55.94  ?  253 GLU B O   1 
ATOM   1820 C CB  . GLU C 1 9   ? 19.866  -29.559 28.498  1.00 71.73  ?  253 GLU B CB  1 
ATOM   1821 C CG  . GLU C 1 9   ? 20.924  -30.233 27.627  1.00 76.18  ?  253 GLU B CG  1 
ATOM   1822 C CD  . GLU C 1 9   ? 22.357  -29.951 28.062  1.00 77.58  ?  253 GLU B CD  1 
ATOM   1823 O OE1 . GLU C 1 9   ? 22.699  -30.206 29.239  1.00 77.92  ?  253 GLU B OE1 1 
ATOM   1824 O OE2 . GLU C 1 9   ? 23.135  -29.454 27.219  1.00 81.10  ?  253 GLU B OE2 1 
ATOM   1825 N N   . ALA C 1 10  ? 18.094  -27.391 27.340  1.00 65.34  ?  254 ALA B N   1 
ATOM   1826 C CA  . ALA C 1 10  ? 17.320  -26.620 26.380  1.00 60.78  ?  254 ALA B CA  1 
ATOM   1827 C C   . ALA C 1 10  ? 17.332  -25.142 26.772  1.00 56.86  ?  254 ALA B C   1 
ATOM   1828 O O   . ALA C 1 10  ? 17.140  -24.284 25.911  1.00 56.63  ?  254 ALA B O   1 
ATOM   1829 C CB  . ALA C 1 10  ? 15.909  -27.168 26.300  1.00 57.94  ?  254 ALA B CB  1 
ATOM   1830 N N   . SER C 1 11  ? 17.591  -24.879 28.066  1.00 55.86  ?  255 SER B N   1 
ATOM   1831 C CA  . SER C 1 11  ? 17.553  -23.551 28.671  1.00 55.51  ?  255 SER B CA  1 
ATOM   1832 C C   . SER C 1 11  ? 18.860  -22.777 28.483  1.00 52.11  ?  255 SER B C   1 
ATOM   1833 O O   . SER C 1 11  ? 18.940  -21.607 28.855  1.00 51.05  ?  255 SER B O   1 
ATOM   1834 C CB  . SER C 1 11  ? 17.234  -23.664 30.148  1.00 58.82  ?  255 SER B CB  1 
ATOM   1835 O OG  . SER C 1 11  ? 18.193  -24.468 30.827  1.00 59.80  ?  255 SER B OG  1 
ATOM   1836 N N   . LYS C 1 12  ? 19.886  -23.438 27.938  1.00 49.32  ?  256 LYS B N   1 
ATOM   1837 C CA  . LYS C 1 12  ? 21.201  -22.838 27.796  1.00 51.60  ?  256 LYS B CA  1 
ATOM   1838 C C   . LYS C 1 12  ? 21.312  -22.100 26.462  1.00 45.89  ?  256 LYS B C   1 
ATOM   1839 O O   . LYS C 1 12  ? 22.250  -21.334 26.268  1.00 44.96  ?  256 LYS B O   1 
ATOM   1840 C CB  . LYS C 1 12  ? 22.247  -23.937 28.015  1.00 56.29  ?  256 LYS B CB  1 
ATOM   1841 C CG  . LYS C 1 12  ? 22.472  -24.233 29.496  1.00 62.82  ?  256 LYS B CG  1 
ATOM   1842 C CD  . LYS C 1 12  ? 22.368  -25.698 29.896  1.00 66.71  ?  256 LYS B CD  1 
ATOM   1843 C CE  . LYS C 1 12  ? 23.360  -26.582 29.211  1.00 70.60  ?  256 LYS B CE  1 
ATOM   1844 N NZ  . LYS C 1 12  ? 24.738  -26.191 29.516  1.00 73.68  ?  256 LYS B NZ  1 
ATOM   1845 N N   . LYS C 1 13  ? 20.346  -22.306 25.559  1.00 39.61  ?  257 LYS B N   1 
ATOM   1846 C CA  . LYS C 1 13  ? 20.358  -21.607 24.291  1.00 36.62  ?  257 LYS B CA  1 
ATOM   1847 C C   . LYS C 1 13  ? 20.059  -20.128 24.545  1.00 31.43  ?  257 LYS B C   1 
ATOM   1848 O O   . LYS C 1 13  ? 19.358  -19.772 25.493  1.00 30.08  ?  257 LYS B O   1 
ATOM   1849 C CB  . LYS C 1 13  ? 19.378  -22.253 23.300  1.00 39.19  ?  257 LYS B CB  1 
ATOM   1850 C CG  . LYS C 1 13  ? 19.414  -23.776 23.238  1.00 42.50  ?  257 LYS B CG  1 
ATOM   1851 C CD  . LYS C 1 13  ? 19.022  -24.374 21.894  1.00 42.83  ?  257 LYS B CD  1 
ATOM   1852 C CE  . LYS C 1 13  ? 20.179  -24.334 20.949  1.00 48.15  ?  257 LYS B CE  1 
ATOM   1853 N NZ  . LYS C 1 13  ? 19.767  -24.194 19.545  1.00 49.88  ?  257 LYS B NZ  1 
ATOM   1854 N N   . PRO C 1 14  ? 20.585  -19.197 23.718  1.00 26.45  ?  258 PRO B N   1 
ATOM   1855 C CA  . PRO C 1 14  ? 20.033  -17.843 23.673  1.00 23.86  ?  258 PRO B CA  1 
ATOM   1856 C C   . PRO C 1 14  ? 18.510  -17.916 23.488  1.00 18.91  ?  258 PRO B C   1 
ATOM   1857 O O   . PRO C 1 14  ? 18.005  -18.819 22.842  1.00 15.64  ?  258 PRO B O   1 
ATOM   1858 C CB  . PRO C 1 14  ? 20.752  -17.165 22.485  1.00 24.77  ?  258 PRO B CB  1 
ATOM   1859 C CG  . PRO C 1 14  ? 21.513  -18.280 21.792  1.00 27.38  ?  258 PRO B CG  1 
ATOM   1860 C CD  . PRO C 1 14  ? 21.698  -19.403 22.788  1.00 28.13  ?  258 PRO B CD  1 
ATOM   1861 N N   . ARG C 1 15  ? 17.800  -17.001 24.121  1.00 18.98  ?  259 ARG B N   1 
ATOM   1862 C CA  . ARG C 1 15  ? 16.315  -17.069 24.101  1.00 19.38  ?  259 ARG B CA  1 
ATOM   1863 C C   . ARG C 1 15  ? 15.772  -17.262 22.672  1.00 16.51  ?  259 ARG B C   1 
ATOM   1864 O O   . ARG C 1 15  ? 14.894  -18.110 22.503  1.00 16.00  ?  259 ARG B O   1 
ATOM   1865 C CB  . ARG C 1 15  ? 15.670  -15.845 24.761  1.00 21.23  ?  259 ARG B CB  1 
ATOM   1866 C CG  . ARG C 1 15  ? 14.269  -16.166 25.254  1.00 23.54  ?  259 ARG B CG  1 
ATOM   1867 C CD  . ARG C 1 15  ? 13.439  -14.915 25.357  1.00 28.45  ?  259 ARG B CD  1 
ATOM   1868 N NE  . ARG C 1 15  ? 13.849  -14.136 26.525  1.00 35.38  ?  259 ARG B NE  1 
ATOM   1869 C CZ  . ARG C 1 15  ? 13.281  -14.244 27.711  1.00 39.87  ?  259 ARG B CZ  1 
ATOM   1870 N NH1 . ARG C 1 15  ? 11.974  -14.125 27.821  1.00 29.22  ?  259 ARG B NH1 1 
ATOM   1871 N NH2 . ARG C 1 15  ? 14.022  -14.462 28.783  1.00 42.87  ?  259 ARG B NH2 1 
ATOM   1872 N N   . GLN C 1 16  ? 16.330  -16.554 21.690  1.00 14.85  ?  260 GLN B N   1 
ATOM   1873 C CA  . GLN C 1 16  ? 15.756  -16.571 20.345  1.00 13.94  ?  260 GLN B CA  1 
ATOM   1874 C C   . GLN C 1 16  ? 15.913  -17.932 19.657  1.00 14.50  ?  260 GLN B C   1 
ATOM   1875 O O   . GLN C 1 16  ? 15.233  -18.189 18.651  1.00 14.20  ?  260 GLN B O   1 
ATOM   1876 C CB  . GLN C 1 16  ? 16.341  -15.465 19.471  1.00 13.31  ?  260 GLN B CB  1 
ATOM   1877 C CG  . GLN C 1 16  ? 17.818  -15.604 19.103  1.00 13.18  ?  260 GLN B CG  1 
ATOM   1878 C CD  . GLN C 1 16  ? 18.802  -15.079 20.130  1.00 12.71  ?  260 GLN B CD  1 
ATOM   1879 O OE1 . GLN C 1 16  ? 18.472  -14.797 21.285  1.00 13.40  ?  260 GLN B OE1 1 
ATOM   1880 N NE2 . GLN C 1 16  ? 20.029  -14.872 19.685  1.00 12.77  ?  260 GLN B NE2 1 
ATOM   1881 N N   . LYS C 1 17  ? 16.800  -18.801 20.170  1.00 14.22  ?  261 LYS B N   1 
ATOM   1882 C CA  . LYS C 1 17  ? 17.001  -20.122 19.589  1.00 15.71  ?  261 LYS B CA  1 
ATOM   1883 C C   . LYS C 1 17  ? 16.330  -21.238 20.394  1.00 16.77  ?  261 LYS B C   1 
ATOM   1884 O O   . LYS C 1 17  ? 16.438  -22.394 20.020  1.00 18.44  ?  261 LYS B O   1 
ATOM   1885 C CB  . LYS C 1 17  ? 18.474  -20.519 19.421  1.00 15.68  ?  261 LYS B CB  1 
ATOM   1886 C CG  . LYS C 1 17  ? 19.275  -19.600 18.518  1.00 16.75  ?  261 LYS B CG  1 
ATOM   1887 C CD  . LYS C 1 17  ? 18.663  -19.433 17.127  1.00 15.92  ?  261 LYS B CD  1 
ATOM   1888 C CE  . LYS C 1 17  ? 19.673  -18.828 16.224  1.00 15.83  ?  261 LYS B CE  1 
ATOM   1889 N NZ  . LYS C 1 17  ? 19.138  -18.553 14.890  1.00 15.14  ?  261 LYS B NZ  1 
ATOM   1890 N N   . ARG C 1 18  ? 15.601  -20.927 21.465  1.00 17.43  ?  262 ARG B N   1 
ATOM   1891 C CA  . ARG C 1 18  ? 14.988  -21.982 22.253  1.00 17.54  ?  262 ARG B CA  1 
ATOM   1892 C C   . ARG C 1 18  ? 13.818  -22.604 21.507  1.00 18.09  ?  262 ARG B C   1 
ATOM   1893 O O   . ARG C 1 18  ? 13.166  -21.933 20.715  1.00 17.35  ?  262 ARG B O   1 
ATOM   1894 C CB  . ARG C 1 18  ? 14.512  -21.421 23.587  1.00 18.07  ?  262 ARG B CB  1 
ATOM   1895 C CG  . ARG C 1 18  ? 15.661  -21.017 24.486  1.00 19.75  ?  262 ARG B CG  1 
ATOM   1896 C CD  . ARG C 1 18  ? 15.131  -20.268 25.681  1.00 21.46  ?  262 ARG B CD  1 
ATOM   1897 N NE  . ARG C 1 18  ? 16.282  -19.872 26.493  1.00 23.21  ?  262 ARG B NE  1 
ATOM   1898 C CZ  . ARG C 1 18  ? 16.279  -19.035 27.515  1.00 24.49  ?  262 ARG B CZ  1 
ATOM   1899 N NH1 . ARG C 1 18  ? 15.146  -18.577 28.004  1.00 24.29  ?  262 ARG B NH1 1 
ATOM   1900 N NH2 . ARG C 1 18  ? 17.429  -18.664 28.050  1.00 25.11  ?  262 ARG B NH2 1 
ATOM   1901 N N   . THR C 1 19  ? 13.551  -23.882 21.801  1.00 18.92  ?  263 THR B N   1 
ATOM   1902 C CA  . THR C 1 19  ? 12.361  -24.575 21.331  1.00 20.63  ?  263 THR B CA  1 
ATOM   1903 C C   . THR C 1 19  ? 11.567  -25.037 22.548  1.00 20.57  ?  263 THR B C   1 
ATOM   1904 O O   . THR C 1 19  ? 12.069  -25.839 23.332  1.00 19.84  ?  263 THR B O   1 
ATOM   1905 C CB  . THR C 1 19  ? 12.750  -25.763 20.456  1.00 23.19  ?  263 THR B CB  1 
ATOM   1906 O OG1 . THR C 1 19  ? 13.518  -25.224 19.389  1.00 26.76  ?  263 THR B OG1 1 
ATOM   1907 C CG2 . THR C 1 19  ? 11.556  -26.465 19.835  1.00 23.46  ?  263 THR B CG2 1 
ATOM   1908 N N   . ALA C 1 20  ? 10.339  -24.523 22.701  1.00 19.13  ?  264 ALA B N   1 
ATOM   1909 C CA  . ALA C 1 20  ? 9.489   -24.936 23.808  1.00 19.01  ?  264 ALA B CA  1 
ATOM   1910 C C   . ALA C 1 20  ? 8.901   -26.307 23.482  1.00 19.90  ?  264 ALA B C   1 
ATOM   1911 O O   . ALA C 1 20  ? 8.573   -26.581 22.325  1.00 17.25  ?  264 ALA B O   1 
ATOM   1912 C CB  . ALA C 1 20  ? 8.404   -23.888 24.094  1.00 18.49  ?  264 ALA B CB  1 
ATOM   1913 N N   . THR C 1 21  ? 8.844   -27.168 24.518  1.00 20.96  ?  265 THR B N   1 
ATOM   1914 C CA  . THR C 1 21  ? 8.165   -28.462 24.471  1.00 21.90  ?  265 THR B CA  1 
ATOM   1915 C C   . THR C 1 21  ? 7.410   -28.667 25.789  1.00 22.26  ?  265 THR B C   1 
ATOM   1916 O O   . THR C 1 21  ? 7.530   -27.854 26.702  1.00 19.65  ?  265 THR B O   1 
ATOM   1917 C CB  . THR C 1 21  ? 9.185   -29.590 24.258  1.00 22.59  ?  265 THR B CB  1 
ATOM   1918 O OG1 . THR C 1 21  ? 10.018  -29.529 25.415  1.00 21.83  ?  265 THR B OG1 1 
ATOM   1919 C CG2 . THR C 1 21  ? 10.041  -29.415 23.014  1.00 22.97  ?  265 THR B CG2 1 
ATOM   1920 N N   . LYS C 1 22  ? 6.696   -29.798 25.918  1.00 25.54  ?  266 LYS B N   1 
ATOM   1921 C CA  . LYS C 1 22  ? 6.140   -30.224 27.203  1.00 28.76  ?  266 LYS B CA  1 
ATOM   1922 C C   . LYS C 1 22  ? 7.165   -30.159 28.337  1.00 26.86  ?  266 LYS B C   1 
ATOM   1923 O O   . LYS C 1 22  ? 6.833   -29.756 29.446  1.00 23.25  ?  266 LYS B O   1 
ATOM   1924 C CB  . LYS C 1 22  ? 5.608   -31.657 27.133  1.00 33.68  ?  266 LYS B CB  1 
ATOM   1925 C CG  . LYS C 1 22  ? 4.236   -31.743 26.499  1.00 39.26  ?  266 LYS B CG  1 
ATOM   1926 C CD  . LYS C 1 22  ? 3.671   -33.140 26.258  1.00 44.10  ?  266 LYS B CD  1 
ATOM   1927 C CE  . LYS C 1 22  ? 4.070   -33.739 24.949  1.00 45.69  ?  266 LYS B CE  1 
ATOM   1928 N NZ  . LYS C 1 22  ? 2.982   -34.576 24.430  1.00 46.18  ?  266 LYS B NZ  1 
ATOM   1929 N N   . ALA C 1 23  ? 8.413   -30.543 28.043  1.00 28.47  ?  267 ALA B N   1 
ATOM   1930 C CA  . ALA C 1 23  ? 9.448   -30.667 29.058  1.00 30.43  ?  267 ALA B CA  1 
ATOM   1931 C C   . ALA C 1 23  ? 10.021  -29.301 29.428  1.00 28.48  ?  267 ALA B C   1 
ATOM   1932 O O   . ALA C 1 23  ? 10.647  -29.155 30.475  1.00 28.59  ?  267 ALA B O   1 
ATOM   1933 C CB  . ALA C 1 23  ? 10.534  -31.595 28.562  1.00 31.56  ?  267 ALA B CB  1 
ATOM   1934 N N   . TYR C 1 24  ? 9.840   -28.312 28.543  1.00 25.20  ?  268 TYR B N   1 
ATOM   1935 C CA  . TYR C 1 24  ? 10.402  -26.986 28.729  1.00 22.29  ?  268 TYR B CA  1 
ATOM   1936 C C   . TYR C 1 24  ? 9.484   -26.003 28.015  1.00 20.84  ?  268 TYR B C   1 
ATOM   1937 O O   . TYR C 1 24  ? 9.644   -25.781 26.811  1.00 19.35  ?  268 TYR B O   1 
ATOM   1938 C CB  . TYR C 1 24  ? 11.812  -26.963 28.141  1.00 22.14  ?  268 TYR B CB  1 
ATOM   1939 C CG  . TYR C 1 24  ? 12.567  -25.653 28.269  1.00 21.87  ?  268 TYR B CG  1 
ATOM   1940 C CD1 . TYR C 1 24  ? 12.789  -25.058 29.502  1.00 22.02  ?  268 TYR B CD1 1 
ATOM   1941 C CD2 . TYR C 1 24  ? 13.050  -25.002 27.139  1.00 21.92  ?  268 TYR B CD2 1 
ATOM   1942 C CE1 . TYR C 1 24  ? 13.479  -23.858 29.612  1.00 22.93  ?  268 TYR B CE1 1 
ATOM   1943 C CE2 . TYR C 1 24  ? 13.787  -23.834 27.241  1.00 22.09  ?  268 TYR B CE2 1 
ATOM   1944 C CZ  . TYR C 1 24  ? 13.990  -23.251 28.474  1.00 23.81  ?  268 TYR B CZ  1 
ATOM   1945 O OH  . TYR C 1 24  ? 14.691  -22.078 28.528  1.00 25.62  ?  268 TYR B OH  1 
ATOM   1946 N N   . ASN C 1 25  ? 8.507   -25.480 28.760  1.00 19.40  ?  269 ASN B N   1 
ATOM   1947 C CA  . ASN C 1 25  ? 7.276   -24.985 28.162  1.00 19.03  ?  269 ASN B CA  1 
ATOM   1948 C C   . ASN C 1 25  ? 7.441   -23.509 27.802  1.00 17.94  ?  269 ASN B C   1 
ATOM   1949 O O   . ASN C 1 25  ? 8.528   -22.952 27.945  1.00 16.94  ?  269 ASN B O   1 
ATOM   1950 C CB  . ASN C 1 25  ? 6.078   -25.318 29.045  1.00 19.96  ?  269 ASN B CB  1 
ATOM   1951 C CG  . ASN C 1 25  ? 6.012   -24.511 30.320  1.00 20.30  ?  269 ASN B CG  1 
ATOM   1952 O OD1 . ASN C 1 25  ? 6.446   -23.362 30.374  1.00 20.50  ?  269 ASN B OD1 1 
ATOM   1953 N ND2 . ASN C 1 25  ? 5.435   -25.082 31.364  1.00 22.68  ?  269 ASN B ND2 1 
ATOM   1954 N N   . VAL C 1 26  ? 6.368   -22.894 27.282  1.00 16.62  ?  270 VAL B N   1 
ATOM   1955 C CA  . VAL C 1 26  ? 6.494   -21.580 26.681  1.00 17.09  ?  270 VAL B CA  1 
ATOM   1956 C C   . VAL C 1 26  ? 6.809   -20.582 27.793  1.00 17.87  ?  270 VAL B C   1 
ATOM   1957 O O   . VAL C 1 26  ? 7.607   -19.686 27.560  1.00 16.82  ?  270 VAL B O   1 
ATOM   1958 C CB  . VAL C 1 26  ? 5.251   -21.207 25.848  1.00 17.18  ?  270 VAL B CB  1 
ATOM   1959 C CG1 . VAL C 1 26  ? 5.111   -19.721 25.564  1.00 16.37  ?  270 VAL B CG1 1 
ATOM   1960 C CG2 . VAL C 1 26  ? 5.215   -21.999 24.549  1.00 17.37  ?  270 VAL B CG2 1 
ATOM   1961 N N   . THR C 1 27  ? 6.241   -20.782 29.002  1.00 18.14  ?  271 THR B N   1 
ATOM   1962 C CA  . THR C 1 27  ? 6.531   -19.933 30.158  1.00 19.68  ?  271 THR B CA  1 
ATOM   1963 C C   . THR C 1 27  ? 8.004   -20.065 30.559  1.00 20.54  ?  271 THR B C   1 
ATOM   1964 O O   . THR C 1 27  ? 8.700   -19.071 30.749  1.00 19.91  ?  271 THR B O   1 
ATOM   1965 C CB  . THR C 1 27  ? 5.639   -20.254 31.364  1.00 20.42  ?  271 THR B CB  1 
ATOM   1966 O OG1 . THR C 1 27  ? 4.273   -20.203 30.992  1.00 20.81  ?  271 THR B OG1 1 
ATOM   1967 C CG2 . THR C 1 27  ? 5.758   -19.212 32.459  1.00 22.62  ?  271 THR B CG2 1 
ATOM   1968 N N   . GLN C 1 28  ? 8.492   -21.298 30.688  1.00 21.86  ?  272 GLN B N   1 
ATOM   1969 C CA  . GLN C 1 28  ? 9.882   -21.505 31.072  1.00 23.21  ?  272 GLN B CA  1 
ATOM   1970 C C   . GLN C 1 28  ? 10.829  -20.886 30.038  1.00 22.31  ?  272 GLN B C   1 
ATOM   1971 O O   . GLN C 1 28  ? 11.845  -20.281 30.388  1.00 21.78  ?  272 GLN B O   1 
ATOM   1972 C CB  . GLN C 1 28  ? 10.156  -23.002 31.257  1.00 25.46  ?  272 GLN B CB  1 
ATOM   1973 C CG  . GLN C 1 28  ? 9.165   -23.703 32.183  1.00 26.50  ?  272 GLN B CG  1 
ATOM   1974 C CD  . GLN C 1 28  ? 9.438   -25.184 32.365  1.00 28.19  ?  272 GLN B CD  1 
ATOM   1975 O OE1 . GLN C 1 28  ? 8.907   -26.046 31.657  1.00 26.42  ?  272 GLN B OE1 1 
ATOM   1976 N NE2 . GLN C 1 28  ? 10.287  -25.505 33.327  1.00 31.86  ?  272 GLN B NE2 1 
ATOM   1977 N N   . ALA C 1 29  ? 10.490  -21.014 28.753  1.00 21.09  ?  273 ALA B N   1 
ATOM   1978 C CA  . ALA C 1 29  ? 11.383  -20.588 27.682  1.00 20.60  ?  273 ALA B CA  1 
ATOM   1979 C C   . ALA C 1 29  ? 11.334  -19.077 27.430  1.00 19.32  ?  273 ALA B C   1 
ATOM   1980 O O   . ALA C 1 29  ? 12.378  -18.488 27.168  1.00 18.87  ?  273 ALA B O   1 
ATOM   1981 C CB  . ALA C 1 29  ? 11.085  -21.371 26.412  1.00 21.26  ?  273 ALA B CB  1 
ATOM   1982 N N   . PHE C 1 30  ? 10.138  -18.460 27.463  1.00 17.99  ?  274 PHE B N   1 
ATOM   1983 C CA  . PHE C 1 30  ? 9.936   -17.121 26.913  1.00 17.52  ?  274 PHE B CA  1 
ATOM   1984 C C   . PHE C 1 30  ? 9.209   -16.189 27.882  1.00 17.86  ?  274 PHE B C   1 
ATOM   1985 O O   . PHE C 1 30  ? 8.815   -15.092 27.504  1.00 18.17  ?  274 PHE B O   1 
ATOM   1986 C CB  . PHE C 1 30  ? 9.130   -17.290 25.618  1.00 16.87  ?  274 PHE B CB  1 
ATOM   1987 C CG  . PHE C 1 30  ? 9.789   -18.223 24.615  1.00 15.42  ?  274 PHE B CG  1 
ATOM   1988 C CD1 . PHE C 1 30  ? 11.089  -17.998 24.178  1.00 15.66  ?  274 PHE B CD1 1 
ATOM   1989 C CD2 . PHE C 1 30  ? 9.130   -19.351 24.142  1.00 15.76  ?  274 PHE B CD2 1 
ATOM   1990 C CE1 . PHE C 1 30  ? 11.695  -18.851 23.278  1.00 14.98  ?  274 PHE B CE1 1 
ATOM   1991 C CE2 . PHE C 1 30  ? 9.725   -20.177 23.203  1.00 15.38  ?  274 PHE B CE2 1 
ATOM   1992 C CZ  . PHE C 1 30  ? 11.026  -19.955 22.817  1.00 15.55  ?  274 PHE B CZ  1 
ATOM   1993 N N   . GLY C 1 31  ? 8.988   -16.644 29.126  1.00 18.77  ?  275 GLY B N   1 
ATOM   1994 C CA  . GLY C 1 31  ? 8.331   -15.843 30.135  1.00 19.55  ?  275 GLY B CA  1 
ATOM   1995 C C   . GLY C 1 31  ? 6.817   -15.976 30.057  1.00 20.38  ?  275 GLY B C   1 
ATOM   1996 O O   . GLY C 1 31  ? 6.257   -16.491 29.077  1.00 18.90  ?  275 GLY B O   1 
ATOM   1997 N N   . ARG C 1 32  ? 6.170   -15.460 31.092  1.00 20.88  ?  276 ARG B N   1 
ATOM   1998 C CA  . ARG C 1 32  ? 4.695   -15.497 31.115  1.00 22.71  ?  276 ARG B CA  1 
ATOM   1999 C C   . ARG C 1 32  ? 4.114   -14.575 30.034  1.00 19.68  ?  276 ARG B C   1 
ATOM   2000 O O   . ARG C 1 32  ? 4.742   -13.573 29.683  1.00 19.32  ?  276 ARG B O   1 
ATOM   2001 C CB  . ARG C 1 32  ? 4.101   -15.017 32.442  1.00 27.09  ?  276 ARG B CB  1 
ATOM   2002 C CG  . ARG C 1 32  ? 4.688   -15.619 33.708  1.00 32.15  ?  276 ARG B CG  1 
ATOM   2003 C CD  . ARG C 1 32  ? 4.274   -14.797 34.922  1.00 35.22  ?  276 ARG B CD  1 
ATOM   2004 N NE  . ARG C 1 32  ? 2.820   -14.641 35.040  1.00 33.38  ?  276 ARG B NE  1 
ATOM   2005 C CZ  . ARG C 1 32  ? 2.003   -15.609 35.422  1.00 35.69  ?  276 ARG B CZ  1 
ATOM   2006 N NH1 . ARG C 1 32  ? 0.917   -15.875 34.722  1.00 36.89  ?  276 ARG B NH1 1 
ATOM   2007 N NH2 . ARG C 1 32  ? 2.278   -16.314 36.501  1.00 38.57  ?  276 ARG B NH2 1 
ATOM   2008 N N   . ARG C 1 33  ? 2.951   -14.928 29.530  1.00 17.38  ?  277 ARG B N   1 
ATOM   2009 C CA  . ARG C 1 33  ? 2.214   -14.081 28.600  1.00 17.98  ?  277 ARG B CA  1 
ATOM   2010 C C   . ARG C 1 33  ? 1.712   -12.831 29.332  1.00 18.42  ?  277 ARG B C   1 
ATOM   2011 O O   . ARG C 1 33  ? 1.332   -12.918 30.484  1.00 17.70  ?  277 ARG B O   1 
ATOM   2012 C CB  . ARG C 1 33  ? 1.028   -14.886 28.042  1.00 17.07  ?  277 ARG B CB  1 
ATOM   2013 C CG  . ARG C 1 33  ? 1.280   -15.561 26.695  1.00 17.31  ?  277 ARG B CG  1 
ATOM   2014 C CD  . ARG C 1 33  ? 2.185   -16.761 26.738  1.00 16.43  ?  277 ARG B CD  1 
ATOM   2015 N NE  . ARG C 1 33  ? 3.607   -16.461 26.935  1.00 15.49  ?  277 ARG B NE  1 
ATOM   2016 C CZ  . ARG C 1 33  ? 4.477   -16.204 25.956  1.00 15.10  ?  277 ARG B CZ  1 
ATOM   2017 N NH1 . ARG C 1 33  ? 4.058   -16.063 24.704  1.00 14.79  ?  277 ARG B NH1 1 
ATOM   2018 N NH2 . ARG C 1 33  ? 5.743   -16.025 26.261  1.00 14.19  ?  277 ARG B NH2 1 
ATOM   2019 N N   . GLY C 1 34  ? 1.668   -11.675 28.660  1.00 20.35  ?  278 GLY B N   1 
ATOM   2020 C CA  . GLY C 1 34  ? 1.127   -10.477 29.283  1.00 21.23  ?  278 GLY B CA  1 
ATOM   2021 C C   . GLY C 1 34  ? 1.079   -9.273  28.342  1.00 22.86  ?  278 GLY B C   1 
ATOM   2022 O O   . GLY C 1 34  ? 1.411   -9.379  27.169  1.00 23.02  ?  278 GLY B O   1 
ATOM   2023 N N   . PRO C 1 35  ? 0.651   -8.095  28.855  1.00 25.53  ?  279 PRO B N   1 
ATOM   2024 C CA  . PRO C 1 35  ? 0.441   -6.896  28.036  1.00 26.50  ?  279 PRO B CA  1 
ATOM   2025 C C   . PRO C 1 35  ? 1.655   -6.019  27.738  1.00 28.26  ?  279 PRO B C   1 
ATOM   2026 O O   . PRO C 1 35  ? 1.607   -5.215  26.815  1.00 28.75  ?  279 PRO B O   1 
ATOM   2027 C CB  . PRO C 1 35  ? -0.614  -6.154  28.893  1.00 26.30  ?  279 PRO B CB  1 
ATOM   2028 C CG  . PRO C 1 35  ? -0.242  -6.479  30.318  1.00 27.39  ?  279 PRO B CG  1 
ATOM   2029 C CD  . PRO C 1 35  ? 0.258   -7.905  30.260  1.00 26.98  ?  279 PRO B CD  1 
ATOM   2030 N N   . GLU C 1 36  ? 2.755   -6.212  28.481  1.00 29.02  ?  280 GLU B N   1 
ATOM   2031 C CA  . GLU C 1 36  ? 3.899   -5.315  28.398  1.00 33.66  ?  280 GLU B CA  1 
ATOM   2032 C C   . GLU C 1 36  ? 4.619   -5.534  27.073  1.00 31.78  ?  280 GLU B C   1 
ATOM   2033 O O   . GLU C 1 36  ? 4.578   -6.634  26.532  1.00 28.90  ?  280 GLU B O   1 
ATOM   2034 C CB  . GLU C 1 36  ? 4.939   -5.534  29.499  1.00 39.26  ?  280 GLU B CB  1 
ATOM   2035 C CG  . GLU C 1 36  ? 4.379   -5.562  30.920  1.00 44.55  ?  280 GLU B CG  1 
ATOM   2036 C CD  . GLU C 1 36  ? 3.758   -4.270  31.411  1.00 51.49  ?  280 GLU B CD  1 
ATOM   2037 O OE1 . GLU C 1 36  ? 3.738   -3.243  30.690  1.00 52.29  ?  280 GLU B OE1 1 
ATOM   2038 O OE2 . GLU C 1 36  ? 3.287   -4.313  32.567  1.00 60.40  ?  280 GLU B OE2 1 
ATOM   2039 N N   . GLN C 1 37  ? 5.331   -4.497  26.606  1.00 32.31  ?  281 GLN B N   1 
ATOM   2040 C CA  . GLN C 1 37  ? 5.974   -4.510  25.301  1.00 33.30  ?  281 GLN B CA  1 
ATOM   2041 C C   . GLN C 1 37  ? 7.042   -5.600  25.234  1.00 29.21  ?  281 GLN B C   1 
ATOM   2042 O O   . GLN C 1 37  ? 7.333   -6.098  24.143  1.00 24.43  ?  281 GLN B O   1 
ATOM   2043 C CB  . GLN C 1 37  ? 6.587   -3.157  24.926  1.00 37.11  ?  281 GLN B CB  1 
ATOM   2044 C CG  . GLN C 1 37  ? 5.583   -2.142  24.386  1.00 40.11  ?  281 GLN B CG  1 
ATOM   2045 C CD  . GLN C 1 37  ? 4.891   -2.613  23.125  1.00 44.69  ?  281 GLN B CD  1 
ATOM   2046 O OE1 . GLN C 1 37  ? 5.531   -2.860  22.093  1.00 48.90  ?  281 GLN B OE1 1 
ATOM   2047 N NE2 . GLN C 1 37  ? 3.576   -2.777  23.207  1.00 47.16  ?  281 GLN B NE2 1 
ATOM   2048 N N   . THR C 1 38  ? 7.630   -5.935  26.391  1.00 28.60  ?  282 THR B N   1 
ATOM   2049 C CA  . THR C 1 38  ? 8.727   -6.894  26.471  1.00 30.23  ?  282 THR B CA  1 
ATOM   2050 C C   . THR C 1 38  ? 8.210   -8.325  26.602  1.00 26.52  ?  282 THR B C   1 
ATOM   2051 O O   . THR C 1 38  ? 8.998   -9.262  26.486  1.00 27.43  ?  282 THR B O   1 
ATOM   2052 C CB  . THR C 1 38  ? 9.615   -6.556  27.671  1.00 36.22  ?  282 THR B CB  1 
ATOM   2053 O OG1 . THR C 1 38  ? 8.790   -6.665  28.833  1.00 38.87  ?  282 THR B OG1 1 
ATOM   2054 C CG2 . THR C 1 38  ? 10.184  -5.151  27.591  1.00 37.13  ?  282 THR B CG2 1 
ATOM   2055 N N   . GLN C 1 39  ? 6.910   -8.499  26.878  1.00 22.17  ?  283 GLN B N   1 
ATOM   2056 C CA  . GLN C 1 39  ? 6.330   -9.827  27.021  1.00 20.32  ?  283 GLN B CA  1 
ATOM   2057 C C   . GLN C 1 39  ? 5.704   -10.310 25.717  1.00 17.40  ?  283 GLN B C   1 
ATOM   2058 O O   . GLN C 1 39  ? 5.199   -9.506  24.935  1.00 17.86  ?  283 GLN B O   1 
ATOM   2059 C CB  . GLN C 1 39  ? 5.202   -9.827  28.051  1.00 21.72  ?  283 GLN B CB  1 
ATOM   2060 C CG  . GLN C 1 39  ? 5.635   -9.393  29.447  1.00 22.13  ?  283 GLN B CG  1 
ATOM   2061 C CD  . GLN C 1 39  ? 4.466   -9.295  30.408  1.00 23.31  ?  283 GLN B CD  1 
ATOM   2062 O OE1 . GLN C 1 39  ? 3.529   -8.498  30.217  1.00 21.72  ?  283 GLN B OE1 1 
ATOM   2063 N NE2 . GLN C 1 39  ? 4.497   -10.140 31.434  1.00 22.72  ?  283 GLN B NE2 1 
ATOM   2064 N N   . GLY C 1 40  ? 5.692   -11.642 25.536  1.00 14.88  ?  284 GLY B N   1 
ATOM   2065 C CA  . GLY C 1 40  ? 4.918   -12.311 24.510  1.00 13.39  ?  284 GLY B CA  1 
ATOM   2066 C C   . GLY C 1 40  ? 3.447   -12.364 24.909  1.00 13.08  ?  284 GLY B C   1 
ATOM   2067 O O   . GLY C 1 40  ? 3.151   -12.444 26.108  1.00 11.92  ?  284 GLY B O   1 
ATOM   2068 N N   . ASN C 1 41  ? 2.538   -12.285 23.907  1.00 12.02  ?  285 ASN B N   1 
ATOM   2069 C CA  . ASN C 1 41  ? 1.106   -12.271 24.183  1.00 12.23  ?  285 ASN B CA  1 
ATOM   2070 C C   . ASN C 1 41  ? 0.426   -13.488 23.553  1.00 12.04  ?  285 ASN B C   1 
ATOM   2071 O O   . ASN C 1 41  ? -0.802  -13.581 23.556  1.00 11.55  ?  285 ASN B O   1 
ATOM   2072 C CB  . ASN C 1 41  ? 0.435   -10.994 23.692  1.00 12.65  ?  285 ASN B CB  1 
ATOM   2073 C CG  . ASN C 1 41  ? 0.433   -10.920 22.176  1.00 13.62  ?  285 ASN B CG  1 
ATOM   2074 O OD1 . ASN C 1 41  ? 1.362   -11.424 21.513  1.00 13.11  ?  285 ASN B OD1 1 
ATOM   2075 N ND2 . ASN C 1 41  ? -0.617  -10.350 21.601  1.00 14.26  ?  285 ASN B ND2 1 
ATOM   2076 N N   . PHE C 1 42  ? 1.204   -14.389 22.950  1.00 11.50  ?  286 PHE B N   1 
ATOM   2077 C CA  . PHE C 1 42  ? 0.612   -15.442 22.130  1.00 11.35  ?  286 PHE B CA  1 
ATOM   2078 C C   . PHE C 1 42  ? 0.649   -16.790 22.855  1.00 11.39  ?  286 PHE B C   1 
ATOM   2079 O O   . PHE C 1 42  ? 1.711   -17.186 23.348  1.00 11.15  ?  286 PHE B O   1 
ATOM   2080 C CB  . PHE C 1 42  ? 1.369   -15.598 20.809  1.00 10.98  ?  286 PHE B CB  1 
ATOM   2081 C CG  . PHE C 1 42  ? 0.734   -16.504 19.752  1.00 10.68  ?  286 PHE B CG  1 
ATOM   2082 C CD1 . PHE C 1 42  ? -0.106  -15.969 18.770  1.00 10.85  ?  286 PHE B CD1 1 
ATOM   2083 C CD2 . PHE C 1 42  ? 1.000   -17.863 19.704  1.00 10.42  ?  286 PHE B CD2 1 
ATOM   2084 C CE1 . PHE C 1 42  ? -0.659  -16.773 17.782  1.00 10.60  ?  286 PHE B CE1 1 
ATOM   2085 C CE2 . PHE C 1 42  ? 0.446   -18.671 18.707  1.00 10.78  ?  286 PHE B CE2 1 
ATOM   2086 C CZ  . PHE C 1 42  ? -0.383  -18.127 17.753  1.00 10.90  ?  286 PHE B CZ  1 
ATOM   2087 N N   . GLY C 1 43  ? -0.512  -17.462 22.848  1.00 11.30  ?  287 GLY B N   1 
ATOM   2088 C CA  . GLY C 1 43  ? -0.693  -18.848 23.243  1.00 12.05  ?  287 GLY B CA  1 
ATOM   2089 C C   . GLY C 1 43  ? -1.783  -19.009 24.305  1.00 12.84  ?  287 GLY B C   1 
ATOM   2090 O O   . GLY C 1 43  ? -1.787  -18.286 25.302  1.00 13.37  ?  287 GLY B O   1 
ATOM   2091 N N   . ASP C 1 44  ? -2.714  -19.936 24.055  1.00 13.67  ?  288 ASP B N   1 
ATOM   2092 C CA  . ASP C 1 44  ? -3.683  -20.393 25.048  1.00 15.19  ?  288 ASP B CA  1 
ATOM   2093 C C   . ASP C 1 44  ? -2.986  -21.364 26.001  1.00 15.78  ?  288 ASP B C   1 
ATOM   2094 O O   . ASP C 1 44  ? -1.804  -21.670 25.834  1.00 14.52  ?  288 ASP B O   1 
ATOM   2095 C CB  . ASP C 1 44  ? -4.932  -20.973 24.394  1.00 15.68  ?  288 ASP B CB  1 
ATOM   2096 C CG  . ASP C 1 44  ? -4.793  -22.378 23.815  1.00 17.12  ?  288 ASP B CG  1 
ATOM   2097 O OD1 . ASP C 1 44  ? -3.683  -22.949 23.897  1.00 16.09  ?  288 ASP B OD1 1 
ATOM   2098 O OD2 . ASP C 1 44  ? -5.803  -22.904 23.271  1.00 18.09  ?  288 ASP B OD2 1 
ATOM   2099 N N   . GLN C 1 45  ? -3.714  -21.870 27.003  1.00 17.25  ?  289 GLN B N   1 
ATOM   2100 C CA  . GLN C 1 45  ? -3.086  -22.651 28.064  1.00 18.74  ?  289 GLN B CA  1 
ATOM   2101 C C   . GLN C 1 45  ? -2.478  -23.949 27.525  1.00 20.02  ?  289 GLN B C   1 
ATOM   2102 O O   . GLN C 1 45  ? -1.432  -24.380 28.013  1.00 18.91  ?  289 GLN B O   1 
ATOM   2103 C CB  . GLN C 1 45  ? -4.048  -22.949 29.211  1.00 20.25  ?  289 GLN B CB  1 
ATOM   2104 C CG  . GLN C 1 45  ? -4.606  -21.692 29.876  1.00 21.40  ?  289 GLN B CG  1 
ATOM   2105 C CD  . GLN C 1 45  ? -5.665  -22.009 30.908  1.00 22.89  ?  289 GLN B CD  1 
ATOM   2106 O OE1 . GLN C 1 45  ? -6.843  -21.657 30.763  1.00 23.17  ?  289 GLN B OE1 1 
ATOM   2107 N NE2 . GLN C 1 45  ? -5.247  -22.722 31.934  1.00 21.66  ?  289 GLN B NE2 1 
ATOM   2108 N N   . GLU C 1 46  ? -3.112  -24.551 26.504  1.00 19.50  ?  290 GLU B N   1 
ATOM   2109 C CA  . GLU C 1 46  ? -2.617  -25.788 25.918  1.00 21.00  ?  290 GLU B CA  1 
ATOM   2110 C C   . GLU C 1 46  ? -1.281  -25.555 25.193  1.00 19.82  ?  290 GLU B C   1 
ATOM   2111 O O   . GLU C 1 46  ? -0.281  -26.245 25.455  1.00 17.87  ?  290 GLU B O   1 
ATOM   2112 C CB  . GLU C 1 46  ? -3.748  -26.349 25.053  1.00 23.75  ?  290 GLU B CB  1 
ATOM   2113 C CG  . GLU C 1 46  ? -3.493  -27.752 24.501  1.00 29.48  ?  290 GLU B CG  1 
ATOM   2114 C CD  . GLU C 1 46  ? -4.541  -28.309 23.534  1.00 34.61  ?  290 GLU B CD  1 
ATOM   2115 O OE1 . GLU C 1 46  ? -5.559  -27.619 23.259  1.00 36.70  ?  290 GLU B OE1 1 
ATOM   2116 O OE2 . GLU C 1 46  ? -4.312  -29.433 23.012  1.00 37.32  ?  290 GLU B OE2 1 
ATOM   2117 N N   . LEU C 1 47  ? -1.244  -24.552 24.302  1.00 18.01  ?  291 LEU B N   1 
ATOM   2118 C CA  . LEU C 1 47  ? -0.014  -24.244 23.575  1.00 17.37  ?  291 LEU B CA  1 
ATOM   2119 C C   . LEU C 1 47  ? 1.085   -23.848 24.561  1.00 15.92  ?  291 LEU B C   1 
ATOM   2120 O O   . LEU C 1 47  ? 2.221   -24.269 24.429  1.00 14.83  ?  291 LEU B O   1 
ATOM   2121 C CB  . LEU C 1 47  ? -0.195  -23.182 22.485  1.00 17.26  ?  291 LEU B CB  1 
ATOM   2122 C CG  . LEU C 1 47  ? 1.106   -22.597 21.907  1.00 17.62  ?  291 LEU B CG  1 
ATOM   2123 C CD1 . LEU C 1 47  ? 1.978   -23.684 21.277  1.00 18.17  ?  291 LEU B CD1 1 
ATOM   2124 C CD2 . LEU C 1 47  ? 0.780   -21.515 20.879  1.00 17.38  ?  291 LEU B CD2 1 
ATOM   2125 N N   . ILE C 1 48  ? 0.783   -23.007 25.546  1.00 16.22  ?  292 ILE B N   1 
ATOM   2126 C CA  . ILE C 1 48  ? 1.825   -22.639 26.491  1.00 17.14  ?  292 ILE B CA  1 
ATOM   2127 C C   . ILE C 1 48  ? 2.435   -23.892 27.121  1.00 18.33  ?  292 ILE B C   1 
ATOM   2128 O O   . ILE C 1 48  ? 3.637   -23.931 27.344  1.00 17.58  ?  292 ILE B O   1 
ATOM   2129 C CB  . ILE C 1 48  ? 1.278   -21.685 27.559  1.00 17.82  ?  292 ILE B CB  1 
ATOM   2130 C CG1 . ILE C 1 48  ? 1.071   -20.290 26.987  1.00 17.45  ?  292 ILE B CG1 1 
ATOM   2131 C CG2 . ILE C 1 48  ? 2.171   -21.682 28.795  1.00 18.21  ?  292 ILE B CG2 1 
ATOM   2132 C CD1 . ILE C 1 48  ? 0.244   -19.406 27.896  1.00 18.83  ?  292 ILE B CD1 1 
ATOM   2133 N N   . ARG C 1 49  ? 1.598   -24.888 27.439  1.00 19.36  ?  293 ARG B N   1 
ATOM   2134 C CA  . ARG C 1 49  ? 2.039   -26.046 28.207  1.00 21.82  ?  293 ARG B CA  1 
ATOM   2135 C C   . ARG C 1 49  ? 2.813   -27.028 27.324  1.00 21.07  ?  293 ARG B C   1 
ATOM   2136 O O   . ARG C 1 49  ? 3.655   -27.764 27.842  1.00 19.33  ?  293 ARG B O   1 
ATOM   2137 C CB  . ARG C 1 49  ? 0.818   -26.756 28.816  1.00 25.53  ?  293 ARG B CB  1 
ATOM   2138 C CG  . ARG C 1 49  ? 1.107   -27.969 29.695  1.00 31.76  ?  293 ARG B CG  1 
ATOM   2139 C CD  . ARG C 1 49  ? -0.165  -28.663 30.219  1.00 37.22  ?  293 ARG B CD  1 
ATOM   2140 N NE  . ARG C 1 49  ? -0.862  -29.387 29.149  1.00 41.48  ?  293 ARG B NE  1 
ATOM   2141 C CZ  . ARG C 1 49  ? -2.065  -29.102 28.632  1.00 47.82  ?  293 ARG B CZ  1 
ATOM   2142 N NH1 . ARG C 1 49  ? -2.779  -28.077 29.071  1.00 50.61  ?  293 ARG B NH1 1 
ATOM   2143 N NH2 . ARG C 1 49  ? -2.563  -29.854 27.661  1.00 50.27  ?  293 ARG B NH2 1 
ATOM   2144 N N   A GLN C 1 50  ? 2.499   -27.044 26.012  0.50 20.47  ?  294 GLN B N   1 
ATOM   2145 N N   B GLN C 1 50  ? 2.505   -27.027 26.014  0.50 20.94  ?  294 GLN B N   1 
ATOM   2146 C CA  A GLN C 1 50  ? 2.975   -28.076 25.096  0.50 20.51  ?  294 GLN B CA  1 
ATOM   2147 C CA  B GLN C 1 50  ? 2.958   -28.053 25.084  0.50 21.31  ?  294 GLN B CA  1 
ATOM   2148 C C   A GLN C 1 50  ? 4.064   -27.533 24.163  0.50 19.46  ?  294 GLN B C   1 
ATOM   2149 C C   B GLN C 1 50  ? 4.074   -27.526 24.178  0.50 19.89  ?  294 GLN B C   1 
ATOM   2150 O O   A GLN C 1 50  ? 4.921   -28.291 23.725  0.50 19.01  ?  294 GLN B O   1 
ATOM   2151 O O   B GLN C 1 50  ? 4.946   -28.285 23.769  0.50 19.42  ?  294 GLN B O   1 
ATOM   2152 C CB  A GLN C 1 50  ? 1.821   -28.717 24.315  0.50 21.27  ?  294 GLN B CB  1 
ATOM   2153 C CB  B GLN C 1 50  ? 1.776   -28.553 24.253  0.50 22.78  ?  294 GLN B CB  1 
ATOM   2154 C CG  A GLN C 1 50  ? 0.673   -29.234 25.180  0.50 22.16  ?  294 GLN B CG  1 
ATOM   2155 C CG  B GLN C 1 50  ? 0.718   -29.321 25.041  0.50 24.32  ?  294 GLN B CG  1 
ATOM   2156 C CD  A GLN C 1 50  ? -0.273  -30.193 24.485  0.50 22.97  ?  294 GLN B CD  1 
ATOM   2157 C CD  B GLN C 1 50  ? 1.214   -30.656 25.548  0.50 26.25  ?  294 GLN B CD  1 
ATOM   2158 O OE1 A GLN C 1 50  ? -0.613  -30.062 23.305  0.50 23.27  ?  294 GLN B OE1 1 
ATOM   2159 O OE1 B GLN C 1 50  ? 1.647   -31.512 24.773  0.50 28.01  ?  294 GLN B OE1 1 
ATOM   2160 N NE2 A GLN C 1 50  ? -0.709  -31.199 25.228  0.50 24.39  ?  294 GLN B NE2 1 
ATOM   2161 N NE2 B GLN C 1 50  ? 1.152   -30.857 26.856  0.50 28.62  ?  294 GLN B NE2 1 
ATOM   2162 N N   . GLY C 1 51  ? 4.055   -26.228 23.855  1.00 19.47  ?  295 GLY B N   1 
ATOM   2163 C CA  . GLY C 1 51  ? 5.046   -25.678 22.938  1.00 18.32  ?  295 GLY B CA  1 
ATOM   2164 C C   . GLY C 1 51  ? 4.924   -26.384 21.590  1.00 18.33  ?  295 GLY B C   1 
ATOM   2165 O O   . GLY C 1 51  ? 3.805   -26.552 21.115  1.00 17.49  ?  295 GLY B O   1 
ATOM   2166 N N   . THR C 1 52  ? 6.042   -26.884 21.042  1.00 18.83  ?  296 THR B N   1 
ATOM   2167 C CA  . THR C 1 52  ? 6.019   -27.473 19.713  1.00 19.94  ?  296 THR B CA  1 
ATOM   2168 C C   . THR C 1 52  ? 5.391   -28.863 19.742  1.00 21.53  ?  296 THR B C   1 
ATOM   2169 O O   . THR C 1 52  ? 5.258   -29.467 18.683  1.00 21.65  ?  296 THR B O   1 
ATOM   2170 C CB  . THR C 1 52  ? 7.414   -27.530 19.086  1.00 20.35  ?  296 THR B CB  1 
ATOM   2171 O OG1 . THR C 1 52  ? 8.295   -28.223 19.964  1.00 20.05  ?  296 THR B OG1 1 
ATOM   2172 C CG2 . THR C 1 52  ? 7.986   -26.151 18.826  1.00 21.07  ?  296 THR B CG2 1 
ATOM   2173 N N   . ASP C 1 53  ? 5.048   -29.382 20.938  1.00 22.86  ?  297 ASP B N   1 
ATOM   2174 C CA  . ASP C 1 53  ? 4.308   -30.628 21.045  1.00 23.53  ?  297 ASP B CA  1 
ATOM   2175 C C   . ASP C 1 53  ? 2.810   -30.395 20.859  1.00 23.32  ?  297 ASP B C   1 
ATOM   2176 O O   . ASP C 1 53  ? 2.069   -31.362 20.727  1.00 25.57  ?  297 ASP B O   1 
ATOM   2177 C CB  . ASP C 1 53  ? 4.553   -31.328 22.372  1.00 25.96  ?  297 ASP B CB  1 
ATOM   2178 C CG  . ASP C 1 53  ? 5.985   -31.761 22.643  1.00 25.44  ?  297 ASP B CG  1 
ATOM   2179 O OD1 . ASP C 1 53  ? 6.705   -31.988 21.672  1.00 28.53  ?  297 ASP B OD1 1 
ATOM   2180 O OD2 . ASP C 1 53  ? 6.386   -31.785 23.826  1.00 25.51  ?  297 ASP B OD2 1 
ATOM   2181 N N   . TYR C 1 54  ? 2.364   -29.131 20.832  1.00 20.98  ?  298 TYR B N   1 
ATOM   2182 C CA  . TYR C 1 54  ? 0.960   -28.806 20.622  1.00 20.49  ?  298 TYR B CA  1 
ATOM   2183 C C   . TYR C 1 54  ? 0.482   -29.457 19.333  1.00 21.14  ?  298 TYR B C   1 
ATOM   2184 O O   . TYR C 1 54  ? 1.187   -29.453 18.322  1.00 19.55  ?  298 TYR B O   1 
ATOM   2185 C CB  . TYR C 1 54  ? 0.791   -27.287 20.545  1.00 18.53  ?  298 TYR B CB  1 
ATOM   2186 C CG  . TYR C 1 54  ? -0.604  -26.727 20.289  1.00 19.09  ?  298 TYR B CG  1 
ATOM   2187 C CD1 . TYR C 1 54  ? -0.821  -25.850 19.239  1.00 17.88  ?  298 TYR B CD1 1 
ATOM   2188 C CD2 . TYR C 1 54  ? -1.678  -26.995 21.134  1.00 18.85  ?  298 TYR B CD2 1 
ATOM   2189 C CE1 . TYR C 1 54  ? -2.058  -25.284 19.012  1.00 19.04  ?  298 TYR B CE1 1 
ATOM   2190 C CE2 . TYR C 1 54  ? -2.926  -26.443 20.907  1.00 19.17  ?  298 TYR B CE2 1 
ATOM   2191 C CZ  . TYR C 1 54  ? -3.116  -25.592 19.839  1.00 19.49  ?  298 TYR B CZ  1 
ATOM   2192 O OH  . TYR C 1 54  ? -4.314  -25.013 19.574  1.00 19.81  ?  298 TYR B OH  1 
ATOM   2193 N N   . LYS C 1 55  ? -0.739  -29.980 19.362  1.00 21.53  ?  299 LYS B N   1 
ATOM   2194 C CA  . LYS C 1 55  ? -1.251  -30.744 18.234  1.00 25.31  ?  299 LYS B CA  1 
ATOM   2195 C C   . LYS C 1 55  ? -1.333  -29.865 16.982  1.00 24.10  ?  299 LYS B C   1 
ATOM   2196 O O   . LYS C 1 55  ? -1.149  -30.373 15.881  1.00 25.65  ?  299 LYS B O   1 
ATOM   2197 C CB  . LYS C 1 55  ? -2.617  -31.358 18.561  1.00 28.65  ?  299 LYS B CB  1 
ATOM   2198 C CG  . LYS C 1 55  ? -3.701  -30.332 18.823  1.00 34.15  ?  299 LYS B CG  1 
ATOM   2199 C CD  . LYS C 1 55  ? -4.782  -30.757 19.814  1.00 41.88  ?  299 LYS B CD  1 
ATOM   2200 C CE  . LYS C 1 55  ? -5.714  -29.618 20.135  1.00 45.71  ?  299 LYS B CE  1 
ATOM   2201 N NZ  . LYS C 1 55  ? -6.601  -29.866 21.275  1.00 49.14  ?  299 LYS B NZ  1 
ATOM   2202 N N   . HIS C 1 56  ? -1.636  -28.566 17.124  1.00 22.28  ?  300 HIS B N   1 
ATOM   2203 C CA  . HIS C 1 56  ? -1.729  -27.702 15.955  1.00 22.04  ?  300 HIS B CA  1 
ATOM   2204 C C   . HIS C 1 56  ? -0.474  -26.837 15.770  1.00 19.82  ?  300 HIS B C   1 
ATOM   2205 O O   . HIS C 1 56  ? -0.536  -25.808 15.092  1.00 20.94  ?  300 HIS B O   1 
ATOM   2206 C CB  . HIS C 1 56  ? -3.011  -26.869 16.020  1.00 23.70  ?  300 HIS B CB  1 
ATOM   2207 C CG  . HIS C 1 56  ? -4.234  -27.711 16.098  1.00 28.04  ?  300 HIS B CG  1 
ATOM   2208 N ND1 . HIS C 1 56  ? -5.237  -27.484 17.016  1.00 30.94  ?  300 HIS B ND1 1 
ATOM   2209 C CD2 . HIS C 1 56  ? -4.576  -28.823 15.434  1.00 29.58  ?  300 HIS B CD2 1 
ATOM   2210 C CE1 . HIS C 1 56  ? -6.168  -28.413 16.872  1.00 31.40  ?  300 HIS B CE1 1 
ATOM   2211 N NE2 . HIS C 1 56  ? -5.789  -29.227 15.911  1.00 33.31  ?  300 HIS B NE2 1 
ATOM   2212 N N   . TRP C 1 57  ? 0.680   -27.282 16.268  1.00 19.34  ?  301 TRP B N   1 
ATOM   2213 C CA  . TRP C 1 57  ? 1.907   -26.497 16.148  1.00 19.32  ?  301 TRP B CA  1 
ATOM   2214 C C   . TRP C 1 57  ? 2.252   -26.262 14.670  1.00 19.11  ?  301 TRP B C   1 
ATOM   2215 O O   . TRP C 1 57  ? 2.495   -25.126 14.281  1.00 17.21  ?  301 TRP B O   1 
ATOM   2216 C CB  . TRP C 1 57  ? 3.093   -27.110 16.909  1.00 18.11  ?  301 TRP B CB  1 
ATOM   2217 C CG  . TRP C 1 57  ? 4.327   -26.271 16.719  1.00 17.11  ?  301 TRP B CG  1 
ATOM   2218 C CD1 . TRP C 1 57  ? 5.433   -26.585 15.987  1.00 16.35  ?  301 TRP B CD1 1 
ATOM   2219 C CD2 . TRP C 1 57  ? 4.483   -24.896 17.130  1.00 15.77  ?  301 TRP B CD2 1 
ATOM   2220 N NE1 . TRP C 1 57  ? 6.296   -25.525 15.968  1.00 16.08  ?  301 TRP B NE1 1 
ATOM   2221 C CE2 . TRP C 1 57  ? 5.728   -24.467 16.632  1.00 15.58  ?  301 TRP B CE2 1 
ATOM   2222 C CE3 . TRP C 1 57  ? 3.693   -23.995 17.860  1.00 14.82  ?  301 TRP B CE3 1 
ATOM   2223 C CZ2 . TRP C 1 57  ? 6.218   -23.189 16.873  1.00 14.99  ?  301 TRP B CZ2 1 
ATOM   2224 C CZ3 . TRP C 1 57  ? 4.181   -22.727 18.099  1.00 14.20  ?  301 TRP B CZ3 1 
ATOM   2225 C CH2 . TRP C 1 57  ? 5.417   -22.327 17.591  1.00 14.77  ?  301 TRP B CH2 1 
ATOM   2226 N N   . PRO C 1 58  ? 2.232   -27.295 13.786  1.00 20.10  ?  302 PRO B N   1 
ATOM   2227 C CA  . PRO C 1 58  ? 2.593   -27.096 12.382  1.00 19.54  ?  302 PRO B CA  1 
ATOM   2228 C C   . PRO C 1 58  ? 1.818   -25.969 11.710  1.00 18.26  ?  302 PRO B C   1 
ATOM   2229 O O   . PRO C 1 58  ? 2.393   -25.215 10.931  1.00 17.15  ?  302 PRO B O   1 
ATOM   2230 C CB  . PRO C 1 58  ? 2.326   -28.480 11.752  1.00 21.03  ?  302 PRO B CB  1 
ATOM   2231 C CG  . PRO C 1 58  ? 2.510   -29.466 12.910  1.00 21.13  ?  302 PRO B CG  1 
ATOM   2232 C CD  . PRO C 1 58  ? 1.904   -28.707 14.091  1.00 21.90  ?  302 PRO B CD  1 
ATOM   2233 N N   . GLN C 1 59  ? 0.531   -25.838 12.061  1.00 18.82  ?  303 GLN B N   1 
ATOM   2234 C CA  . GLN C 1 59  ? -0.360  -24.828 11.496  1.00 19.58  ?  303 GLN B CA  1 
ATOM   2235 C C   . GLN C 1 59  ? -0.032  -23.428 12.005  1.00 17.11  ?  303 GLN B C   1 
ATOM   2236 O O   . GLN C 1 59  ? -0.381  -22.462 11.359  1.00 18.05  ?  303 GLN B O   1 
ATOM   2237 C CB  . GLN C 1 59  ? -1.844  -25.095 11.770  1.00 22.15  ?  303 GLN B CB  1 
ATOM   2238 C CG  . GLN C 1 59  ? -2.406  -26.255 10.961  1.00 26.28  ?  303 GLN B CG  1 
ATOM   2239 C CD  . GLN C 1 59  ? -1.857  -27.604 11.386  1.00 31.85  ?  303 GLN B CD  1 
ATOM   2240 O OE1 . GLN C 1 59  ? -1.488  -27.849 12.542  1.00 29.90  ?  303 GLN B OE1 1 
ATOM   2241 N NE2 . GLN C 1 59  ? -1.818  -28.529 10.440  1.00 40.53  ?  303 GLN B NE2 1 
ATOM   2242 N N   . ILE C 1 60  ? 0.637   -23.313 13.152  1.00 15.94  ?  304 ILE B N   1 
ATOM   2243 C CA  . ILE C 1 60  ? 1.133   -22.035 13.632  1.00 14.86  ?  304 ILE B CA  1 
ATOM   2244 C C   . ILE C 1 60  ? 2.492   -21.738 12.972  1.00 14.61  ?  304 ILE B C   1 
ATOM   2245 O O   . ILE C 1 60  ? 2.678   -20.627 12.471  1.00 14.00  ?  304 ILE B O   1 
ATOM   2246 C CB  . ILE C 1 60  ? 1.182   -22.054 15.169  1.00 14.97  ?  304 ILE B CB  1 
ATOM   2247 C CG1 . ILE C 1 60  ? -0.228  -22.181 15.750  1.00 15.43  ?  304 ILE B CG1 1 
ATOM   2248 C CG2 . ILE C 1 60  ? 1.892   -20.827 15.755  1.00 14.98  ?  304 ILE B CG2 1 
ATOM   2249 C CD1 . ILE C 1 60  ? -0.226  -22.519 17.229  1.00 16.17  ?  304 ILE B CD1 1 
ATOM   2250 N N   . ALA C 1 61  ? 3.401   -22.738 12.971  1.00 14.52  ?  305 ALA B N   1 
ATOM   2251 C CA  . ALA C 1 61  ? 4.790   -22.601 12.542  1.00 14.70  ?  305 ALA B CA  1 
ATOM   2252 C C   . ALA C 1 61  ? 4.886   -22.200 11.078  1.00 14.29  ?  305 ALA B C   1 
ATOM   2253 O O   . ALA C 1 61  ? 5.857   -21.566 10.662  1.00 13.15  ?  305 ALA B O   1 
ATOM   2254 C CB  . ALA C 1 61  ? 5.580   -23.877 12.773  1.00 15.25  ?  305 ALA B CB  1 
ATOM   2255 N N   . GLN C 1 62  ? 3.843   -22.501 10.302  1.00 15.14  ?  306 GLN B N   1 
ATOM   2256 C CA  . GLN C 1 62  ? 3.841   -22.118 8.898   1.00 15.12  ?  306 GLN B CA  1 
ATOM   2257 C C   . GLN C 1 62  ? 3.912   -20.602 8.757   1.00 13.62  ?  306 GLN B C   1 
ATOM   2258 O O   . GLN C 1 62  ? 4.197   -20.109 7.669   1.00 12.88  ?  306 GLN B O   1 
ATOM   2259 C CB  . GLN C 1 62  ? 2.593   -22.649 8.208   1.00 17.11  ?  306 GLN B CB  1 
ATOM   2260 C CG  . GLN C 1 62  ? 1.320   -21.877 8.543   1.00 18.89  ?  306 GLN B CG  1 
ATOM   2261 C CD  . GLN C 1 62  ? 0.113   -22.483 7.854   1.00 22.49  ?  306 GLN B CD  1 
ATOM   2262 O OE1 . GLN C 1 62  ? 0.106   -22.623 6.627   1.00 23.50  ?  306 GLN B OE1 1 
ATOM   2263 N NE2 . GLN C 1 62  ? -0.895  -22.879 8.622   1.00 23.63  ?  306 GLN B NE2 1 
ATOM   2264 N N   . PHE C 1 63  ? 3.576   -19.860 9.812   1.00 12.68  ?  307 PHE B N   1 
ATOM   2265 C CA  . PHE C 1 63  ? 3.605   -18.408 9.731   1.00 12.84  ?  307 PHE B CA  1 
ATOM   2266 C C   . PHE C 1 63  ? 4.946   -17.843 10.213  1.00 12.15  ?  307 PHE B C   1 
ATOM   2267 O O   . PHE C 1 63  ? 5.227   -16.673 10.010  1.00 14.31  ?  307 PHE B O   1 
ATOM   2268 C CB  . PHE C 1 63  ? 2.455   -17.769 10.514  1.00 12.95  ?  307 PHE B CB  1 
ATOM   2269 C CG  . PHE C 1 63  ? 1.099   -18.114 9.921   1.00 13.77  ?  307 PHE B CG  1 
ATOM   2270 C CD1 . PHE C 1 63  ? 0.711   -17.593 8.694   1.00 13.72  ?  307 PHE B CD1 1 
ATOM   2271 C CD2 . PHE C 1 63  ? 0.236   -18.996 10.568  1.00 13.71  ?  307 PHE B CD2 1 
ATOM   2272 C CE1 . PHE C 1 63  ? -0.486  -17.975 8.110   1.00 14.61  ?  307 PHE B CE1 1 
ATOM   2273 C CE2 . PHE C 1 63  ? -0.961  -19.370 9.972   1.00 14.34  ?  307 PHE B CE2 1 
ATOM   2274 C CZ  . PHE C 1 63  ? -1.331  -18.856 8.756   1.00 14.05  ?  307 PHE B CZ  1 
ATOM   2275 N N   . ALA C 1 64  ? 5.766   -18.638 10.869  1.00 11.63  ?  308 ALA B N   1 
ATOM   2276 C CA  . ALA C 1 64  ? 7.027   -18.153 11.424  1.00 11.31  ?  308 ALA B CA  1 
ATOM   2277 C C   . ALA C 1 64  ? 8.034   -17.965 10.297  1.00 10.85  ?  308 ALA B C   1 
ATOM   2278 O O   . ALA C 1 64  ? 8.112   -18.808 9.398   1.00 11.19  ?  308 ALA B O   1 
ATOM   2279 C CB  . ALA C 1 64  ? 7.550   -19.124 12.457  1.00 10.94  ?  308 ALA B CB  1 
ATOM   2280 N N   . PRO C 1 65  ? 8.789   -16.850 10.283  1.00 9.85   ?  309 PRO B N   1 
ATOM   2281 C CA  . PRO C 1 65  ? 9.696   -16.561 9.189   1.00 9.57   ?  309 PRO B CA  1 
ATOM   2282 C C   . PRO C 1 65  ? 10.970  -17.376 9.256   1.00 9.06   ?  309 PRO B C   1 
ATOM   2283 O O   . PRO C 1 65  ? 11.494  -17.608 10.336  1.00 9.06   ?  309 PRO B O   1 
ATOM   2284 C CB  . PRO C 1 65  ? 9.992   -15.049 9.392   1.00 10.01  ?  309 PRO B CB  1 
ATOM   2285 C CG  . PRO C 1 65  ? 9.861   -14.833 10.877  1.00 10.03  ?  309 PRO B CG  1 
ATOM   2286 C CD  . PRO C 1 65  ? 8.731   -15.759 11.268  1.00 9.95   ?  309 PRO B CD  1 
ATOM   2287 N N   . SER C 1 66  ? 11.490  -17.763 8.086   1.00 8.64   ?  310 SER B N   1 
ATOM   2288 C CA  . SER C 1 66  ? 12.860  -18.210 7.960   1.00 8.75   ?  310 SER B CA  1 
ATOM   2289 C C   . SER C 1 66  ? 13.790  -17.122 8.490   1.00 8.57   ?  310 SER B C   1 
ATOM   2290 O O   . SER C 1 66  ? 13.413  -15.948 8.571   1.00 7.75   ?  310 SER B O   1 
ATOM   2291 C CB  . SER C 1 66  ? 13.208  -18.525 6.518   1.00 8.84   ?  310 SER B CB  1 
ATOM   2292 O OG  . SER C 1 66  ? 13.141  -17.314 5.776   1.00 8.74   ?  310 SER B OG  1 
ATOM   2293 N N   . ALA C 1 67  ? 15.038  -17.505 8.765   1.00 8.39   ?  311 ALA B N   1 
ATOM   2294 C CA  . ALA C 1 67  ? 16.003  -16.522 9.207   1.00 8.48   ?  311 ALA B CA  1 
ATOM   2295 C C   . ALA C 1 67  ? 16.152  -15.444 8.133   1.00 8.17   ?  311 ALA B C   1 
ATOM   2296 O O   . ALA C 1 67  ? 16.214  -14.265 8.449   1.00 7.72   ?  311 ALA B O   1 
ATOM   2297 C CB  . ALA C 1 67  ? 17.320  -17.210 9.509   1.00 9.04   ?  311 ALA B CB  1 
ATOM   2298 N N   . SER C 1 68  ? 16.184  -15.862 6.864   1.00 7.96   ?  312 SER B N   1 
ATOM   2299 C CA  . SER C 1 68  ? 16.336  -14.935 5.750   1.00 8.02   ?  312 SER B CA  1 
ATOM   2300 C C   . SER C 1 68  ? 15.141  -13.966 5.673   1.00 7.56   ?  312 SER B C   1 
ATOM   2301 O O   . SER C 1 68  ? 15.305  -12.763 5.551   1.00 7.15   ?  312 SER B O   1 
ATOM   2302 C CB  . SER C 1 68  ? 16.510  -15.725 4.468   1.00 8.03   ?  312 SER B CB  1 
ATOM   2303 O OG  . SER C 1 68  ? 16.748  -14.903 3.339   1.00 7.95   ?  312 SER B OG  1 
ATOM   2304 N N   . ALA C 1 69  ? 13.923  -14.499 5.786   1.00 7.79   ?  313 ALA B N   1 
ATOM   2305 C CA  . ALA C 1 69  ? 12.717  -13.684 5.725   1.00 7.77   ?  313 ALA B CA  1 
ATOM   2306 C C   . ALA C 1 69  ? 12.593  -12.792 6.959   1.00 7.61   ?  313 ALA B C   1 
ATOM   2307 O O   . ALA C 1 69  ? 12.106  -11.667 6.860   1.00 7.62   ?  313 ALA B O   1 
ATOM   2308 C CB  . ALA C 1 69  ? 11.513  -14.573 5.559   1.00 8.17   ?  313 ALA B CB  1 
ATOM   2309 N N   . PHE C 1 70  ? 13.077  -13.253 8.118   1.00 7.64   ?  314 PHE B N   1 
ATOM   2310 C CA  . PHE C 1 70  ? 13.013  -12.438 9.320   1.00 7.70   ?  314 PHE B CA  1 
ATOM   2311 C C   . PHE C 1 70  ? 13.847  -11.169 9.102   1.00 7.27   ?  314 PHE B C   1 
ATOM   2312 O O   . PHE C 1 70  ? 13.407  -10.069 9.441   1.00 7.14   ?  314 PHE B O   1 
ATOM   2313 C CB  . PHE C 1 70  ? 13.463  -13.263 10.534  1.00 8.10   ?  314 PHE B CB  1 
ATOM   2314 C CG  . PHE C 1 70  ? 13.670  -12.447 11.808  1.00 8.56   ?  314 PHE B CG  1 
ATOM   2315 C CD1 . PHE C 1 70  ? 12.617  -12.196 12.680  1.00 8.90   ?  314 PHE B CD1 1 
ATOM   2316 C CD2 . PHE C 1 70  ? 14.933  -11.967 12.155  1.00 8.95   ?  314 PHE B CD2 1 
ATOM   2317 C CE1 . PHE C 1 70  ? 12.808  -11.437 13.829  1.00 9.02   ?  314 PHE B CE1 1 
ATOM   2318 C CE2 . PHE C 1 70  ? 15.119  -11.237 13.314  1.00 9.27   ?  314 PHE B CE2 1 
ATOM   2319 C CZ  . PHE C 1 70  ? 14.064  -10.965 14.152  1.00 9.08   ?  314 PHE B CZ  1 
ATOM   2320 N N   . PHE C 1 71  ? 15.038  -11.321 8.510   1.00 7.09   ?  315 PHE B N   1 
ATOM   2321 C CA  . PHE C 1 71  ? 15.929  -10.186 8.281   1.00 7.15   ?  315 PHE B CA  1 
ATOM   2322 C C   . PHE C 1 71  ? 15.589  -9.453  6.986   1.00 7.44   ?  315 PHE B C   1 
ATOM   2323 O O   . PHE C 1 71  ? 16.006  -8.306  6.817   1.00 7.32   ?  315 PHE B O   1 
ATOM   2324 C CB  . PHE C 1 71  ? 17.406  -10.577 8.272   1.00 7.24   ?  315 PHE B CB  1 
ATOM   2325 C CG  . PHE C 1 71  ? 17.963  -10.617 9.684   1.00 7.17   ?  315 PHE B CG  1 
ATOM   2326 C CD1 . PHE C 1 71  ? 18.120  -11.831 10.353  1.00 7.27   ?  315 PHE B CD1 1 
ATOM   2327 C CD2 . PHE C 1 71  ? 18.211  -9.435  10.375  1.00 7.36   ?  315 PHE B CD2 1 
ATOM   2328 C CE1 . PHE C 1 71  ? 18.564  -11.850 11.657  1.00 7.18   ?  315 PHE B CE1 1 
ATOM   2329 C CE2 . PHE C 1 71  ? 18.753  -9.462  11.662  1.00 7.34   ?  315 PHE B CE2 1 
ATOM   2330 C CZ  . PHE C 1 71  ? 18.882  -10.662 12.306  1.00 7.30   ?  315 PHE B CZ  1 
ATOM   2331 N N   . GLY C 1 72  ? 14.844  -10.134 6.101   1.00 7.48   ?  316 GLY B N   1 
ATOM   2332 C CA  . GLY C 1 72  ? 14.439  -9.621  4.805   1.00 7.93   ?  316 GLY B CA  1 
ATOM   2333 C C   . GLY C 1 72  ? 13.145  -8.806  4.863   1.00 8.32   ?  316 GLY B C   1 
ATOM   2334 O O   . GLY C 1 72  ? 13.033  -7.824  4.148   1.00 8.28   ?  316 GLY B O   1 
ATOM   2335 N N   . MET C 1 73  ? 12.175  -9.213  5.692   1.00 8.80   ?  317 MET B N   1 
ATOM   2336 C CA  . MET C 1 73  ? 10.841  -8.622  5.688   1.00 9.68   ?  317 MET B CA  1 
ATOM   2337 C C   . MET C 1 73  ? 10.678  -7.590  6.800   1.00 9.74   ?  317 MET B C   1 
ATOM   2338 O O   . MET C 1 73  ? 9.854   -6.690  6.648   1.00 9.58   ?  317 MET B O   1 
ATOM   2339 C CB  . MET C 1 73  ? 9.741   -9.667  5.941   1.00 10.27  ?  317 MET B CB  1 
ATOM   2340 C CG  . MET C 1 73  ? 9.608   -10.752 4.881   1.00 11.21  ?  317 MET B CG  1 
ATOM   2341 S SD  . MET C 1 73  ? 8.268   -11.921 5.235   1.00 12.80  ?  317 MET B SD  1 
ATOM   2342 C CE  . MET C 1 73  ? 8.593   -12.256 6.973   1.00 13.53  ?  317 MET B CE  1 
ATOM   2343 N N   . SER C 1 74  ? 11.421  -7.764  7.912   1.00 9.14   ?  318 SER B N   1 
ATOM   2344 C CA  . SER C 1 74  ? 11.254  -6.953  9.103   1.00 8.81   ?  318 SER B CA  1 
ATOM   2345 C C   . SER C 1 74  ? 11.907  -5.578  8.970   1.00 9.40   ?  318 SER B C   1 
ATOM   2346 O O   . SER C 1 74  ? 12.896  -5.397  8.238   1.00 9.09   ?  318 SER B O   1 
ATOM   2347 C CB  . SER C 1 74  ? 11.811  -7.661  10.307  1.00 8.62   ?  318 SER B CB  1 
ATOM   2348 O OG  . SER C 1 74  ? 11.287  -8.971  10.436  1.00 7.85   ?  318 SER B OG  1 
ATOM   2349 N N   . ARG C 1 75  ? 11.372  -4.621  9.732   1.00 9.58   ?  319 ARG B N   1 
ATOM   2350 C CA  . ARG C 1 75  ? 12.103  -3.401  10.022  1.00 10.80  ?  319 ARG B CA  1 
ATOM   2351 C C   . ARG C 1 75  ? 12.967  -3.683  11.245  1.00 10.22  ?  319 ARG B C   1 
ATOM   2352 O O   . ARG C 1 75  ? 12.474  -4.092  12.298  1.00 10.82  ?  319 ARG B O   1 
ATOM   2353 C CB  . ARG C 1 75  ? 11.162  -2.214  10.238  1.00 12.36  ?  319 ARG B CB  1 
ATOM   2354 C CG  . ARG C 1 75  ? 10.255  -1.939  9.047   1.00 13.60  ?  319 ARG B CG  1 
ATOM   2355 C CD  . ARG C 1 75  ? 9.758   -0.502  9.072   1.00 15.59  ?  319 ARG B CD  1 
ATOM   2356 N NE  . ARG C 1 75  ? 10.782  0.555   9.166   1.00 15.42  ?  319 ARG B NE  1 
ATOM   2357 C CZ  . ARG C 1 75  ? 11.622  0.893   8.174   1.00 14.95  ?  319 ARG B CZ  1 
ATOM   2358 N NH1 . ARG C 1 75  ? 12.556  1.817   8.374   1.00 15.14  ?  319 ARG B NH1 1 
ATOM   2359 N NH2 . ARG C 1 75  ? 11.524  0.301   6.991   1.00 14.30  ?  319 ARG B NH2 1 
ATOM   2360 N N   . ILE C 1 76  ? 14.274  -3.590  11.063  1.00 10.07  ?  320 ILE B N   1 
ATOM   2361 C CA  . ILE C 1 76  ? 15.215  -3.976  12.101  1.00 9.73   ?  320 ILE B CA  1 
ATOM   2362 C C   . ILE C 1 76  ? 15.819  -2.699  12.683  1.00 10.33  ?  320 ILE B C   1 
ATOM   2363 O O   . ILE C 1 76  ? 16.069  -1.746  11.963  1.00 9.86   ?  320 ILE B O   1 
ATOM   2364 C CB  . ILE C 1 76  ? 16.299  -4.905  11.553  1.00 9.37   ?  320 ILE B CB  1 
ATOM   2365 C CG1 . ILE C 1 76  ? 15.723  -6.199  10.954  1.00 9.27   ?  320 ILE B CG1 1 
ATOM   2366 C CG2 . ILE C 1 76  ? 17.365  -5.182  12.621  1.00 9.55   ?  320 ILE B CG2 1 
ATOM   2367 C CD1 . ILE C 1 76  ? 15.069  -7.152  11.948  1.00 9.23   ?  320 ILE B CD1 1 
ATOM   2368 N N   . GLY C 1 77  ? 15.994  -2.692  14.003  1.00 11.01  ?  321 GLY B N   1 
ATOM   2369 C CA  . GLY C 1 77  ? 16.575  -1.574  14.724  1.00 12.31  ?  321 GLY B CA  1 
ATOM   2370 C C   . GLY C 1 77  ? 17.497  -2.084  15.825  1.00 13.43  ?  321 GLY B C   1 
ATOM   2371 O O   . GLY C 1 77  ? 17.522  -3.278  16.140  1.00 12.67  ?  321 GLY B O   1 
ATOM   2372 N N   . MET C 1 78  ? 18.262  -1.163  16.414  1.00 16.26  ?  322 MET B N   1 
ATOM   2373 C CA  . MET C 1 78  ? 19.019  -1.477  17.613  1.00 18.62  ?  322 MET B CA  1 
ATOM   2374 C C   . MET C 1 78  ? 18.747  -0.387  18.645  1.00 19.39  ?  322 MET B C   1 
ATOM   2375 O O   . MET C 1 78  ? 18.684  0.782   18.304  1.00 18.74  ?  322 MET B O   1 
ATOM   2376 C CB  . MET C 1 78  ? 20.511  -1.676  17.313  1.00 21.52  ?  322 MET B CB  1 
ATOM   2377 C CG  . MET C 1 78  ? 20.877  -3.145  17.005  1.00 26.08  ?  322 MET B CG  1 
ATOM   2378 S SD  . MET C 1 78  ? 22.554  -3.484  17.588  1.00 36.33  ?  322 MET B SD  1 
ATOM   2379 C CE  . MET C 1 78  ? 23.295  -2.759  16.122  1.00 37.82  ?  322 MET B CE  1 
ATOM   2380 N N   . GLU C 1 79  ? 18.486  -0.805  19.888  1.00 20.00  ?  323 GLU B N   1 
ATOM   2381 C CA  . GLU C 1 79  ? 18.231  0.113   20.989  1.00 21.77  ?  323 GLU B CA  1 
ATOM   2382 C C   . GLU C 1 79  ? 19.088  -0.283  22.176  1.00 19.61  ?  323 GLU B C   1 
ATOM   2383 O O   . GLU C 1 79  ? 19.218  -1.465  22.455  1.00 17.92  ?  323 GLU B O   1 
ATOM   2384 C CB  . GLU C 1 79  ? 16.802  0.046   21.519  1.00 24.42  ?  323 GLU B CB  1 
ATOM   2385 C CG  . GLU C 1 79  ? 15.801  0.650   20.547  1.00 29.59  ?  323 GLU B CG  1 
ATOM   2386 C CD  . GLU C 1 79  ? 14.399  0.641   21.107  1.00 34.97  ?  323 GLU B CD  1 
ATOM   2387 O OE1 . GLU C 1 79  ? 14.224  0.357   22.322  1.00 38.97  ?  323 GLU B OE1 1 
ATOM   2388 O OE2 . GLU C 1 79  ? 13.486  0.902   20.287  1.00 42.02  ?  323 GLU B OE2 1 
ATOM   2389 N N   . VAL C 1 80  ? 19.642  0.720   22.859  1.00 19.69  ?  324 VAL B N   1 
ATOM   2390 C CA  . VAL C 1 80  ? 20.382  0.502   24.093  1.00 20.85  ?  324 VAL B CA  1 
ATOM   2391 C C   . VAL C 1 80  ? 19.494  1.023   25.209  1.00 20.28  ?  324 VAL B C   1 
ATOM   2392 O O   . VAL C 1 80  ? 19.067  2.162   25.116  1.00 20.94  ?  324 VAL B O   1 
ATOM   2393 C CB  . VAL C 1 80  ? 21.745  1.213   24.133  1.00 21.88  ?  324 VAL B CB  1 
ATOM   2394 C CG1 . VAL C 1 80  ? 22.477  0.942   25.449  1.00 23.78  ?  324 VAL B CG1 1 
ATOM   2395 C CG2 . VAL C 1 80  ? 22.611  0.852   22.935  1.00 22.48  ?  324 VAL B CG2 1 
ATOM   2396 N N   . THR C 1 81  ? 19.163  0.161   26.181  1.00 19.79  ?  325 THR B N   1 
ATOM   2397 C CA  . THR C 1 81  ? 18.403  0.565   27.347  1.00 19.51  ?  325 THR B CA  1 
ATOM   2398 C C   . THR C 1 81  ? 19.227  0.248   28.597  1.00 20.40  ?  325 THR B C   1 
ATOM   2399 O O   . THR C 1 81  ? 20.271  -0.383  28.532  1.00 17.67  ?  325 THR B O   1 
ATOM   2400 C CB  . THR C 1 81  ? 17.044  -0.141  27.363  1.00 18.51  ?  325 THR B CB  1 
ATOM   2401 O OG1 . THR C 1 81  ? 17.329  -1.506  27.660  1.00 18.51  ?  325 THR B OG1 1 
ATOM   2402 C CG2 . THR C 1 81  ? 16.272  0.021   26.064  1.00 18.66  ?  325 THR B CG2 1 
ATOM   2403 N N   . PRO C 1 82  ? 18.759  0.649   29.805  1.00 23.73  ?  326 PRO B N   1 
ATOM   2404 C CA  . PRO C 1 82  ? 19.396  0.199   31.048  1.00 24.54  ?  326 PRO B CA  1 
ATOM   2405 C C   . PRO C 1 82  ? 19.674  -1.307  31.099  1.00 24.31  ?  326 PRO B C   1 
ATOM   2406 O O   . PRO C 1 82  ? 20.738  -1.731  31.541  1.00 25.07  ?  326 PRO B O   1 
ATOM   2407 C CB  . PRO C 1 82  ? 18.338  0.661   32.076  1.00 25.56  ?  326 PRO B CB  1 
ATOM   2408 C CG  . PRO C 1 82  ? 17.837  1.968   31.506  1.00 25.82  ?  326 PRO B CG  1 
ATOM   2409 C CD  . PRO C 1 82  ? 17.651  1.604   30.027  1.00 24.60  ?  326 PRO B CD  1 
ATOM   2410 N N   . SER C 1 83  ? 18.742  -2.111  30.577  1.00 22.18  ?  327 SER B N   1 
ATOM   2411 C CA  . SER C 1 83  ? 18.864  -3.560  30.635  1.00 22.73  ?  327 SER B CA  1 
ATOM   2412 C C   . SER C 1 83  ? 19.834  -4.108  29.592  1.00 22.71  ?  327 SER B C   1 
ATOM   2413 O O   . SER C 1 83  ? 20.252  -5.249  29.719  1.00 23.44  ?  327 SER B O   1 
ATOM   2414 C CB  . SER C 1 83  ? 17.526  -4.226  30.511  1.00 24.01  ?  327 SER B CB  1 
ATOM   2415 O OG  . SER C 1 83  ? 16.940  -3.935  29.241  1.00 26.62  ?  327 SER B OG  1 
ATOM   2416 N N   . GLY C 1 84  ? 20.232  -3.331  28.568  1.00 22.30  ?  328 GLY B N   1 
ATOM   2417 C CA  . GLY C 1 84  ? 21.204  -3.853  27.609  1.00 20.30  ?  328 GLY B CA  1 
ATOM   2418 C C   . GLY C 1 84  ? 20.939  -3.409  26.172  1.00 17.58  ?  328 GLY B C   1 
ATOM   2419 O O   . GLY C 1 84  ? 20.212  -2.451  25.957  1.00 16.50  ?  328 GLY B O   1 
ATOM   2420 N N   . THR C 1 85  ? 21.602  -4.077  25.218  1.00 16.02  ?  329 THR B N   1 
ATOM   2421 C CA  . THR C 1 85  ? 21.469  -3.771  23.798  1.00 15.25  ?  329 THR B CA  1 
ATOM   2422 C C   . THR C 1 85  ? 20.536  -4.789  23.122  1.00 13.77  ?  329 THR B C   1 
ATOM   2423 O O   . THR C 1 85  ? 20.682  -5.993  23.296  1.00 12.52  ?  329 THR B O   1 
ATOM   2424 C CB  . THR C 1 85  ? 22.852  -3.737  23.144  1.00 16.09  ?  329 THR B CB  1 
ATOM   2425 O OG1 . THR C 1 85  ? 23.623  -2.747  23.836  1.00 17.57  ?  329 THR B OG1 1 
ATOM   2426 C CG2 . THR C 1 85  ? 22.767  -3.392  21.669  1.00 15.66  ?  329 THR B CG2 1 
ATOM   2427 N N   . TRP C 1 86  ? 19.581  -4.264  22.342  1.00 13.23  ?  330 TRP B N   1 
ATOM   2428 C CA  . TRP C 1 86  ? 18.468  -5.008  21.789  1.00 13.44  ?  330 TRP B CA  1 
ATOM   2429 C C   . TRP C 1 86  ? 18.407  -4.818  20.281  1.00 13.24  ?  330 TRP B C   1 
ATOM   2430 O O   . TRP C 1 86  ? 18.517  -3.697  19.789  1.00 14.29  ?  330 TRP B O   1 
ATOM   2431 C CB  . TRP C 1 86  ? 17.152  -4.511  22.403  1.00 13.87  ?  330 TRP B CB  1 
ATOM   2432 C CG  . TRP C 1 86  ? 17.060  -4.673  23.896  1.00 14.78  ?  330 TRP B CG  1 
ATOM   2433 C CD1 . TRP C 1 86  ? 17.484  -3.825  24.872  1.00 15.71  ?  330 TRP B CD1 1 
ATOM   2434 C CD2 . TRP C 1 86  ? 16.410  -5.757  24.570  1.00 15.96  ?  330 TRP B CD2 1 
ATOM   2435 N NE1 . TRP C 1 86  ? 17.214  -4.341  26.113  1.00 16.36  ?  330 TRP B NE1 1 
ATOM   2436 C CE2 . TRP C 1 86  ? 16.533  -5.515  25.959  1.00 17.24  ?  330 TRP B CE2 1 
ATOM   2437 C CE3 . TRP C 1 86  ? 15.738  -6.905  24.138  1.00 16.31  ?  330 TRP B CE3 1 
ATOM   2438 C CZ2 . TRP C 1 86  ? 16.018  -6.395  26.903  1.00 18.29  ?  330 TRP B CZ2 1 
ATOM   2439 C CZ3 . TRP C 1 86  ? 15.216  -7.763  25.078  1.00 16.85  ?  330 TRP B CZ3 1 
ATOM   2440 C CH2 . TRP C 1 86  ? 15.357  -7.511  26.437  1.00 17.78  ?  330 TRP B CH2 1 
ATOM   2441 N N   . LEU C 1 87  ? 18.192  -5.922  19.578  1.00 12.53  ?  331 LEU B N   1 
ATOM   2442 C CA  . LEU C 1 87  ? 17.817  -5.922  18.186  1.00 12.73  ?  331 LEU B CA  1 
ATOM   2443 C C   . LEU C 1 87  ? 16.300  -5.907  18.120  1.00 12.05  ?  331 LEU B C   1 
ATOM   2444 O O   . LEU C 1 87  ? 15.675  -6.892  18.472  1.00 13.11  ?  331 LEU B O   1 
ATOM   2445 C CB  . LEU C 1 87  ? 18.364  -7.194  17.541  1.00 13.60  ?  331 LEU B CB  1 
ATOM   2446 C CG  . LEU C 1 87  ? 18.227  -7.282  16.023  1.00 15.07  ?  331 LEU B CG  1 
ATOM   2447 C CD1 . LEU C 1 87  ? 19.073  -6.211  15.387  1.00 15.66  ?  331 LEU B CD1 1 
ATOM   2448 C CD2 . LEU C 1 87  ? 18.671  -8.623  15.523  1.00 16.02  ?  331 LEU B CD2 1 
ATOM   2449 N N   . THR C 1 88  ? 15.717  -4.799  17.691  1.00 11.27  ?  332 THR B N   1 
ATOM   2450 C CA  . THR C 1 88  ? 14.268  -4.695  17.605  1.00 11.17  ?  332 THR B CA  1 
ATOM   2451 C C   . THR C 1 88  ? 13.805  -5.162  16.225  1.00 10.73  ?  332 THR B C   1 
ATOM   2452 O O   . THR C 1 88  ? 14.531  -5.024  15.237  1.00 10.59  ?  332 THR B O   1 
ATOM   2453 C CB  . THR C 1 88  ? 13.817  -3.265  17.892  1.00 11.55  ?  332 THR B CB  1 
ATOM   2454 O OG1 . THR C 1 88  ? 14.390  -2.415  16.906  1.00 11.64  ?  332 THR B OG1 1 
ATOM   2455 C CG2 . THR C 1 88  ? 14.264  -2.785  19.257  1.00 12.29  ?  332 THR B CG2 1 
ATOM   2456 N N   . TYR C 1 89  ? 12.573  -5.690  16.148  1.00 10.58  ?  333 TYR B N   1 
ATOM   2457 C CA  . TYR C 1 89  ? 12.009  -6.111  14.870  1.00 10.43  ?  333 TYR B CA  1 
ATOM   2458 C C   . TYR C 1 89  ? 10.507  -5.865  14.871  1.00 10.87  ?  333 TYR B C   1 
ATOM   2459 O O   . TYR C 1 89  ? 9.873   -5.974  15.922  1.00 11.12  ?  333 TYR B O   1 
ATOM   2460 C CB  . TYR C 1 89  ? 12.349  -7.579  14.652  1.00 10.29  ?  333 TYR B CB  1 
ATOM   2461 C CG  . TYR C 1 89  ? 11.806  -8.555  15.684  1.00 9.98   ?  333 TYR B CG  1 
ATOM   2462 C CD1 . TYR C 1 89  ? 12.548  -8.902  16.801  1.00 10.27  ?  333 TYR B CD1 1 
ATOM   2463 C CD2 . TYR C 1 89  ? 10.572  -9.173  15.514  1.00 9.56   ?  333 TYR B CD2 1 
ATOM   2464 C CE1 . TYR C 1 89  ? 12.058  -9.802  17.738  1.00 10.51  ?  333 TYR B CE1 1 
ATOM   2465 C CE2 . TYR C 1 89  ? 10.083  -10.091 16.435  1.00 9.39   ?  333 TYR B CE2 1 
ATOM   2466 C CZ  . TYR C 1 89  ? 10.820  -10.405 17.555  1.00 9.81   ?  333 TYR B CZ  1 
ATOM   2467 O OH  . TYR C 1 89  ? 10.366  -11.294 18.495  1.00 10.13  ?  333 TYR B OH  1 
ATOM   2468 N N   . THR C 1 90  ? 9.978   -5.467  13.712  1.00 11.52  ?  334 THR B N   1 
ATOM   2469 C CA  . THR C 1 90  ? 8.537   -5.387  13.489  1.00 12.83  ?  334 THR B CA  1 
ATOM   2470 C C   . THR C 1 90  ? 8.257   -5.766  12.041  1.00 11.41  ?  334 THR B C   1 
ATOM   2471 O O   . THR C 1 90  ? 9.092   -5.576  11.180  1.00 11.00  ?  334 THR B O   1 
ATOM   2472 C CB  . THR C 1 90  ? 7.963   -3.986  13.743  1.00 15.15  ?  334 THR B CB  1 
ATOM   2473 O OG1 . THR C 1 90  ? 8.467   -3.128  12.715  1.00 16.13  ?  334 THR B OG1 1 
ATOM   2474 C CG2 . THR C 1 90  ? 8.358   -3.422  15.089  1.00 16.30  ?  334 THR B CG2 1 
ATOM   2475 N N   . GLY C 1 91  ? 7.036   -6.219  11.774  1.00 11.05  ?  335 GLY B N   1 
ATOM   2476 C CA  . GLY C 1 91  ? 6.600   -6.476  10.421  1.00 10.09  ?  335 GLY B CA  1 
ATOM   2477 C C   . GLY C 1 91  ? 5.207   -7.091  10.402  1.00 10.05  ?  335 GLY B C   1 
ATOM   2478 O O   . GLY C 1 91  ? 4.521   -7.154  11.422  1.00 9.16   ?  335 GLY B O   1 
ATOM   2479 N N   . ALA C 1 92  ? 4.820   -7.500  9.207   1.00 9.50   ?  336 ALA B N   1 
ATOM   2480 C CA  . ALA C 1 92  ? 3.523   -8.087  8.982   1.00 10.35  ?  336 ALA B CA  1 
ATOM   2481 C C   . ALA C 1 92  ? 3.674   -9.150  7.914   1.00 10.54  ?  336 ALA B C   1 
ATOM   2482 O O   . ALA C 1 92  ? 4.392   -8.930  6.930   1.00 10.03  ?  336 ALA B O   1 
ATOM   2483 C CB  . ALA C 1 92  ? 2.555   -7.005  8.551   1.00 10.53  ?  336 ALA B CB  1 
ATOM   2484 N N   . ILE C 1 93  ? 2.930   -10.240 8.112   1.00 11.17  ?  337 ILE B N   1 
ATOM   2485 C CA  . ILE C 1 93  ? 2.907   -11.400 7.228   1.00 11.78  ?  337 ILE B CA  1 
ATOM   2486 C C   . ILE C 1 93  ? 1.476   -11.603 6.710   1.00 13.21  ?  337 ILE B C   1 
ATOM   2487 O O   . ILE C 1 93  ? 0.540   -11.841 7.492   1.00 11.08  ?  337 ILE B O   1 
ATOM   2488 C CB  . ILE C 1 93  ? 3.432   -12.606 8.041   1.00 12.36  ?  337 ILE B CB  1 
ATOM   2489 C CG1 . ILE C 1 93  ? 4.926   -12.439 8.346   1.00 12.69  ?  337 ILE B CG1 1 
ATOM   2490 C CG2 . ILE C 1 93  ? 3.150   -13.968 7.395   1.00 12.02  ?  337 ILE B CG2 1 
ATOM   2491 C CD1 . ILE C 1 93  ? 5.432   -13.411 9.397   1.00 13.91  ?  337 ILE B CD1 1 
ATOM   2492 N N   . LYS C 1 94  ? 1.314   -11.601 5.376   1.00 13.98  ?  338 LYS B N   1 
ATOM   2493 C CA  . LYS C 1 94  ? -0.008  -11.715 4.787   1.00 14.99  ?  338 LYS B CA  1 
ATOM   2494 C C   . LYS C 1 94  ? -0.452  -13.171 4.774   1.00 14.80  ?  338 LYS B C   1 
ATOM   2495 O O   . LYS C 1 94  ? 0.282   -14.024 4.291   1.00 14.75  ?  338 LYS B O   1 
ATOM   2496 C CB  . LYS C 1 94  ? -0.059  -11.213 3.341   1.00 17.86  ?  338 LYS B CB  1 
ATOM   2497 C CG  . LYS C 1 94  ? -1.492  -11.041 2.833   1.00 21.96  ?  338 LYS B CG  1 
ATOM   2498 C CD  . LYS C 1 94  ? -1.691  -11.177 1.327   1.00 27.04  ?  338 LYS B CD  1 
ATOM   2499 C CE  . LYS C 1 94  ? -1.292  -9.949  0.610   1.00 32.02  ?  338 LYS B CE  1 
ATOM   2500 N NZ  . LYS C 1 94  ? -2.260  -8.880  0.869   1.00 35.46  ?  338 LYS B NZ  1 
ATOM   2501 N N   . LEU C 1 95  ? -1.657  -13.447 5.295   1.00 14.72  ?  339 LEU B N   1 
ATOM   2502 C CA  . LEU C 1 95  ? -2.270  -14.759 5.174   1.00 15.70  ?  339 LEU B CA  1 
ATOM   2503 C C   . LEU C 1 95  ? -2.704  -14.989 3.722   1.00 16.34  ?  339 LEU B C   1 
ATOM   2504 O O   . LEU C 1 95  ? -3.057  -14.050 3.013   1.00 16.74  ?  339 LEU B O   1 
ATOM   2505 C CB  . LEU C 1 95  ? -3.469  -14.929 6.109   1.00 15.76  ?  339 LEU B CB  1 
ATOM   2506 C CG  . LEU C 1 95  ? -3.147  -15.435 7.516   1.00 16.26  ?  339 LEU B CG  1 
ATOM   2507 C CD1 . LEU C 1 95  ? -2.326  -14.394 8.253   1.00 16.21  ?  339 LEU B CD1 1 
ATOM   2508 C CD2 . LEU C 1 95  ? -4.419  -15.788 8.248   1.00 16.47  ?  339 LEU B CD2 1 
ATOM   2509 N N   . ASP C 1 96  ? -2.753  -16.265 3.330   1.00 17.14  ?  340 ASP B N   1 
ATOM   2510 C CA  . ASP C 1 96  ? -3.183  -16.652 1.996   1.00 19.01  ?  340 ASP B CA  1 
ATOM   2511 C C   . ASP C 1 96  ? -4.693  -16.875 1.989   1.00 17.56  ?  340 ASP B C   1 
ATOM   2512 O O   . ASP C 1 96  ? -5.184  -17.975 2.256   1.00 16.56  ?  340 ASP B O   1 
ATOM   2513 C CB  . ASP C 1 96  ? -2.438  -17.875 1.493   1.00 20.07  ?  340 ASP B CB  1 
ATOM   2514 C CG  . ASP C 1 96  ? -2.865  -18.340 0.102   1.00 23.81  ?  340 ASP B CG  1 
ATOM   2515 O OD1 . ASP C 1 96  ? -2.627  -19.532 -0.191  1.00 24.37  ?  340 ASP B OD1 1 
ATOM   2516 O OD2 . ASP C 1 96  ? -3.429  -17.505 -0.665  1.00 22.14  ?  340 ASP B OD2 1 
ATOM   2517 N N   . ASP C 1 97  ? -5.438  -15.821 1.671   1.00 17.72  ?  341 ASP B N   1 
ATOM   2518 C CA  . ASP C 1 97  ? -6.887  -15.930 1.755   1.00 20.75  ?  341 ASP B CA  1 
ATOM   2519 C C   . ASP C 1 97  ? -7.465  -16.719 0.582   1.00 22.27  ?  341 ASP B C   1 
ATOM   2520 O O   . ASP C 1 97  ? -8.667  -16.932 0.558   1.00 24.16  ?  341 ASP B O   1 
ATOM   2521 C CB  . ASP C 1 97  ? -7.544  -14.572 1.868   1.00 21.01  ?  341 ASP B CB  1 
ATOM   2522 C CG  . ASP C 1 97  ? -7.282  -13.667 0.688   1.00 21.76  ?  341 ASP B CG  1 
ATOM   2523 O OD1 . ASP C 1 97  ? -6.552  -12.708 0.875   1.00 26.84  ?  341 ASP B OD1 1 
ATOM   2524 O OD2 . ASP C 1 97  ? -7.790  -13.953 -0.397  1.00 23.63  ?  341 ASP B OD2 1 
ATOM   2525 N N   . LYS C 1 98  ? -6.634  -17.137 -0.384  1.00 23.97  ?  342 LYS B N   1 
ATOM   2526 C CA  . LYS C 1 98  ? -7.103  -17.987 -1.464  1.00 27.76  ?  342 LYS B CA  1 
ATOM   2527 C C   . LYS C 1 98  ? -7.089  -19.462 -1.070  1.00 27.73  ?  342 LYS B C   1 
ATOM   2528 O O   . LYS C 1 98  ? -7.700  -20.266 -1.758  1.00 30.58  ?  342 LYS B O   1 
ATOM   2529 C CB  . LYS C 1 98  ? -6.218  -17.998 -2.712  1.00 33.01  ?  342 LYS B CB  1 
ATOM   2530 C CG  . LYS C 1 98  ? -5.747  -16.653 -3.218  1.00 37.61  ?  342 LYS B CG  1 
ATOM   2531 C CD  . LYS C 1 98  ? -6.847  -15.711 -3.669  1.00 41.84  ?  342 LYS B CD  1 
ATOM   2532 C CE  . LYS C 1 98  ? -6.217  -14.554 -4.387  1.00 45.47  ?  342 LYS B CE  1 
ATOM   2533 N NZ  . LYS C 1 98  ? -7.233  -13.642 -4.912  1.00 47.67  ?  342 LYS B NZ  1 
ATOM   2534 N N   . ASP C 1 99  ? -6.375  -19.840 -0.006  1.00 25.74  ?  343 ASP B N   1 
ATOM   2535 C CA  . ASP C 1 99  ? -6.342  -21.242 0.369   1.00 25.32  ?  343 ASP B CA  1 
ATOM   2536 C C   . ASP C 1 99  ? -7.614  -21.616 1.127   1.00 22.29  ?  343 ASP B C   1 
ATOM   2537 O O   . ASP C 1 99  ? -8.085  -20.849 1.974   1.00 19.57  ?  343 ASP B O   1 
ATOM   2538 C CB  . ASP C 1 99  ? -5.116  -21.618 1.183   1.00 27.61  ?  343 ASP B CB  1 
ATOM   2539 C CG  . ASP C 1 99  ? -4.955  -23.133 1.257   1.00 30.81  ?  343 ASP B CG  1 
ATOM   2540 O OD1 . ASP C 1 99  ? -5.357  -23.732 2.302   1.00 28.14  ?  343 ASP B OD1 1 
ATOM   2541 O OD2 . ASP C 1 99  ? -4.517  -23.712 0.228   1.00 26.57  ?  343 ASP B OD2 1 
ATOM   2542 N N   . PRO C 1 100 ? -8.197  -22.820 0.884   1.00 20.23  ?  344 PRO B N   1 
ATOM   2543 C CA  . PRO C 1 100 ? -9.359  -23.290 1.644   1.00 20.57  ?  344 PRO B CA  1 
ATOM   2544 C C   . PRO C 1 100 ? -9.174  -23.307 3.157   1.00 17.71  ?  344 PRO B C   1 
ATOM   2545 O O   . PRO C 1 100 ? -10.168 -23.279 3.875   1.00 18.55  ?  344 PRO B O   1 
ATOM   2546 C CB  . PRO C 1 100 ? -9.612  -24.727 1.142   1.00 21.28  ?  344 PRO B CB  1 
ATOM   2547 C CG  . PRO C 1 100 ? -8.914  -24.767 -0.183  1.00 21.64  ?  344 PRO B CG  1 
ATOM   2548 C CD  . PRO C 1 100 ? -7.777  -23.790 -0.130  1.00 20.68  ?  344 PRO B CD  1 
ATOM   2549 N N   . ASN C 1 101 ? -7.919  -23.369 3.619   1.00 16.84  ?  345 ASN B N   1 
ATOM   2550 C CA  . ASN C 1 101 ? -7.588  -23.442 5.038   1.00 17.18  ?  345 ASN B CA  1 
ATOM   2551 C C   . ASN C 1 101 ? -7.608  -22.066 5.718   1.00 16.56  ?  345 ASN B C   1 
ATOM   2552 O O   . ASN C 1 101 ? -7.440  -21.980 6.935   1.00 15.04  ?  345 ASN B O   1 
ATOM   2553 C CB  . ASN C 1 101 ? -6.213  -24.064 5.260   1.00 18.79  ?  345 ASN B CB  1 
ATOM   2554 C CG  . ASN C 1 101 ? -6.180  -25.553 5.011   1.00 19.93  ?  345 ASN B CG  1 
ATOM   2555 O OD1 . ASN C 1 101 ? -7.193  -26.232 5.187   1.00 22.47  ?  345 ASN B OD1 1 
ATOM   2556 N ND2 . ASN C 1 101 ? -5.018  -26.083 4.677   1.00 21.33  ?  345 ASN B ND2 1 
ATOM   2557 N N   . PHE C 1 102 ? -7.849  -21.001 4.943   1.00 16.38  ?  346 PHE B N   1 
ATOM   2558 C CA  . PHE C 1 102 ? -7.809  -19.635 5.443   1.00 15.22  ?  346 PHE B CA  1 
ATOM   2559 C C   . PHE C 1 102 ? -8.684  -19.497 6.688   1.00 15.68  ?  346 PHE B C   1 
ATOM   2560 O O   . PHE C 1 102 ? -8.212  -19.000 7.726   1.00 15.76  ?  346 PHE B O   1 
ATOM   2561 C CB  . PHE C 1 102 ? -8.259  -18.616 4.395   1.00 14.89  ?  346 PHE B CB  1 
ATOM   2562 C CG  . PHE C 1 102 ? -8.294  -17.183 4.916   1.00 14.64  ?  346 PHE B CG  1 
ATOM   2563 C CD1 . PHE C 1 102 ? -9.495  -16.564 5.236   1.00 14.56  ?  346 PHE B CD1 1 
ATOM   2564 C CD2 . PHE C 1 102 ? -7.113  -16.470 5.132   1.00 15.51  ?  346 PHE B CD2 1 
ATOM   2565 C CE1 . PHE C 1 102 ? -9.521  -15.262 5.727   1.00 14.27  ?  346 PHE B CE1 1 
ATOM   2566 C CE2 . PHE C 1 102 ? -7.148  -15.150 5.572   1.00 15.94  ?  346 PHE B CE2 1 
ATOM   2567 C CZ  . PHE C 1 102 ? -8.359  -14.562 5.893   1.00 15.18  ?  346 PHE B CZ  1 
ATOM   2568 N N   . LYS C 1 103 ? -9.953  -19.917 6.582   1.00 15.84  ?  347 LYS B N   1 
ATOM   2569 C CA  . LYS C 1 103 ? -10.919 -19.657 7.644   1.00 16.33  ?  347 LYS B CA  1 
ATOM   2570 C C   . LYS C 1 103 ? -10.459 -20.356 8.927   1.00 15.05  ?  347 LYS B C   1 
ATOM   2571 O O   . LYS C 1 103 ? -10.596 -19.806 10.006  1.00 14.10  ?  347 LYS B O   1 
ATOM   2572 C CB  . LYS C 1 103 ? -12.356 -20.019 7.224   1.00 18.24  ?  347 LYS B CB  1 
ATOM   2573 C CG  . LYS C 1 103 ? -13.007 -19.025 6.246   1.00 20.93  ?  347 LYS B CG  1 
ATOM   2574 C CD  . LYS C 1 103 ? -14.333 -19.393 5.575   1.00 23.77  ?  347 LYS B CD  1 
ATOM   2575 C CE  . LYS C 1 103 ? -14.801 -18.266 4.660   1.00 26.64  ?  347 LYS B CE  1 
ATOM   2576 N NZ  . LYS C 1 103 ? -16.192 -18.324 4.141   1.00 28.47  ?  347 LYS B NZ  1 
ATOM   2577 N N   . ASP C 1 104 ? -9.891  -21.560 8.809   1.00 15.17  ?  348 ASP B N   1 
ATOM   2578 C CA  . ASP C 1 104 ? -9.439  -22.299 9.983   1.00 16.19  ?  348 ASP B CA  1 
ATOM   2579 C C   . ASP C 1 104 ? -8.217  -21.638 10.610  1.00 15.22  ?  348 ASP B C   1 
ATOM   2580 O O   . ASP C 1 104 ? -8.044  -21.695 11.824  1.00 15.45  ?  348 ASP B O   1 
ATOM   2581 C CB  . ASP C 1 104 ? -9.044  -23.730 9.641   1.00 18.24  ?  348 ASP B CB  1 
ATOM   2582 C CG  . ASP C 1 104 ? -10.180 -24.685 9.284   1.00 19.81  ?  348 ASP B CG  1 
ATOM   2583 O OD1 . ASP C 1 104 ? -9.890  -25.696 8.616   1.00 21.92  ?  348 ASP B OD1 1 
ATOM   2584 O OD2 . ASP C 1 104 ? -11.318 -24.441 9.715   1.00 20.05  ?  348 ASP B OD2 1 
ATOM   2585 N N   . GLN C 1 105 ? -7.344  -21.063 9.771   1.00 15.62  ?  349 GLN B N   1 
ATOM   2586 C CA  . GLN C 1 105 ? -6.136  -20.400 10.234  1.00 15.88  ?  349 GLN B CA  1 
ATOM   2587 C C   . GLN C 1 105 ? -6.518  -19.174 11.052  1.00 15.14  ?  349 GLN B C   1 
ATOM   2588 O O   . GLN C 1 105 ? -5.905  -18.874 12.072  1.00 13.75  ?  349 GLN B O   1 
ATOM   2589 C CB  . GLN C 1 105 ? -5.251  -19.971 9.066   1.00 16.68  ?  349 GLN B CB  1 
ATOM   2590 C CG  . GLN C 1 105 ? -4.591  -21.152 8.372   1.00 17.90  ?  349 GLN B CG  1 
ATOM   2591 C CD  . GLN C 1 105 ? -3.991  -20.814 7.022   1.00 19.13  ?  349 GLN B CD  1 
ATOM   2592 O OE1 . GLN C 1 105 ? -4.016  -19.670 6.540   1.00 19.75  ?  349 GLN B OE1 1 
ATOM   2593 N NE2 . GLN C 1 105 ? -3.414  -21.837 6.414   1.00 19.43  ?  349 GLN B NE2 1 
ATOM   2594 N N   . VAL C 1 106 ? -7.561  -18.478 10.601  1.00 14.96  ?  350 VAL B N   1 
ATOM   2595 C CA  . VAL C 1 106 ? -8.021  -17.307 11.318  1.00 15.20  ?  350 VAL B CA  1 
ATOM   2596 C C   . VAL C 1 106 ? -8.524  -17.728 12.703  1.00 15.00  ?  350 VAL B C   1 
ATOM   2597 O O   . VAL C 1 106 ? -8.192  -17.098 13.709  1.00 15.45  ?  350 VAL B O   1 
ATOM   2598 C CB  . VAL C 1 106 ? -9.064  -16.544 10.482  1.00 15.49  ?  350 VAL B CB  1 
ATOM   2599 C CG1 . VAL C 1 106 ? -9.843  -15.538 11.324  1.00 16.27  ?  350 VAL B CG1 1 
ATOM   2600 C CG2 . VAL C 1 106 ? -8.402  -15.842 9.295   1.00 15.19  ?  350 VAL B CG2 1 
ATOM   2601 N N   . ILE C 1 107 ? -9.326  -18.790 12.760  1.00 15.79  ?  351 ILE B N   1 
ATOM   2602 C CA  . ILE C 1 107 ? -9.844  -19.289 14.024  1.00 16.68  ?  351 ILE B CA  1 
ATOM   2603 C C   . ILE C 1 107 ? -8.696  -19.711 14.952  1.00 15.53  ?  351 ILE B C   1 
ATOM   2604 O O   . ILE C 1 107 ? -8.698  -19.370 16.135  1.00 14.83  ?  351 ILE B O   1 
ATOM   2605 C CB  . ILE C 1 107 ? -10.909 -20.381 13.771  1.00 19.33  ?  351 ILE B CB  1 
ATOM   2606 C CG1 . ILE C 1 107 ? -12.237 -19.720 13.300  1.00 20.49  ?  351 ILE B CG1 1 
ATOM   2607 C CG2 . ILE C 1 107 ? -11.145 -21.269 15.004  1.00 19.58  ?  351 ILE B CG2 1 
ATOM   2608 C CD1 . ILE C 1 107 ? -13.253 -20.684 12.715  1.00 21.89  ?  351 ILE B CD1 1 
ATOM   2609 N N   . LEU C 1 108 ? -7.683  -20.390 14.411  1.00 16.03  ?  352 LEU B N   1 
ATOM   2610 C CA  . LEU C 1 108 ? -6.551  -20.853 15.200  1.00 15.82  ?  352 LEU B CA  1 
ATOM   2611 C C   . LEU C 1 108 ? -5.795  -19.667 15.794  1.00 16.22  ?  352 LEU B C   1 
ATOM   2612 O O   . LEU C 1 108 ? -5.516  -19.619 16.998  1.00 16.14  ?  352 LEU B O   1 
ATOM   2613 C CB  . LEU C 1 108 ? -5.650  -21.712 14.310  1.00 16.11  ?  352 LEU B CB  1 
ATOM   2614 C CG  . LEU C 1 108 ? -4.409  -22.340 14.965  1.00 15.57  ?  352 LEU B CG  1 
ATOM   2615 C CD1 . LEU C 1 108 ? -4.794  -23.254 16.123  1.00 16.35  ?  352 LEU B CD1 1 
ATOM   2616 C CD2 . LEU C 1 108 ? -3.617  -23.111 13.943  1.00 15.34  ?  352 LEU B CD2 1 
ATOM   2617 N N   . LEU C 1 109 ? -5.438  -18.695 14.950  1.00 15.37  ?  353 LEU B N   1 
ATOM   2618 C CA  . LEU C 1 109 ? -4.699  -17.541 15.431  1.00 15.06  ?  353 LEU B CA  1 
ATOM   2619 C C   . LEU C 1 109 ? -5.501  -16.767 16.484  1.00 15.04  ?  353 LEU B C   1 
ATOM   2620 O O   . LEU C 1 109 ? -4.948  -16.297 17.473  1.00 14.62  ?  353 LEU B O   1 
ATOM   2621 C CB  . LEU C 1 109 ? -4.313  -16.677 14.234  1.00 15.24  ?  353 LEU B CB  1 
ATOM   2622 C CG  . LEU C 1 109 ? -3.253  -17.295 13.314  1.00 15.50  ?  353 LEU B CG  1 
ATOM   2623 C CD1 . LEU C 1 109 ? -3.141  -16.614 11.973  1.00 15.31  ?  353 LEU B CD1 1 
ATOM   2624 C CD2 . LEU C 1 109 ? -1.919  -17.263 14.007  1.00 15.61  ?  353 LEU B CD2 1 
ATOM   2625 N N   . ASN C 1 110 ? -6.804  -16.603 16.267  1.00 14.96  ?  354 ASN B N   1 
ATOM   2626 C CA  . ASN C 1 110 ? -7.632  -15.842 17.184  1.00 15.29  ?  354 ASN B CA  1 
ATOM   2627 C C   . ASN C 1 110 ? -7.742  -16.550 18.537  1.00 15.76  ?  354 ASN B C   1 
ATOM   2628 O O   . ASN C 1 110 ? -8.000  -15.892 19.538  1.00 14.91  ?  354 ASN B O   1 
ATOM   2629 C CB  . ASN C 1 110 ? -9.046  -15.633 16.652  1.00 16.73  ?  354 ASN B CB  1 
ATOM   2630 C CG  . ASN C 1 110 ? -9.173  -14.521 15.633  1.00 18.37  ?  354 ASN B CG  1 
ATOM   2631 O OD1 . ASN C 1 110 ? -8.352  -13.606 15.592  1.00 20.75  ?  354 ASN B OD1 1 
ATOM   2632 N ND2 . ASN C 1 110 ? -10.228 -14.545 14.833  1.00 19.71  ?  354 ASN B ND2 1 
ATOM   2633 N N   . LYS C 1 111 ? -7.574  -17.884 18.570  1.00 16.28  ?  355 LYS B N   1 
ATOM   2634 C CA  . LYS C 1 111 ? -7.639  -18.637 19.816  1.00 18.57  ?  355 LYS B CA  1 
ATOM   2635 C C   . LYS C 1 111 ? -6.400  -18.367 20.686  1.00 15.89  ?  355 LYS B C   1 
ATOM   2636 O O   . LYS C 1 111 ? -6.461  -18.477 21.929  1.00 13.89  ?  355 LYS B O   1 
ATOM   2637 C CB  . LYS C 1 111 ? -7.928  -20.104 19.481  1.00 23.00  ?  355 LYS B CB  1 
ATOM   2638 C CG  . LYS C 1 111 ? -7.608  -21.121 20.573  1.00 31.03  ?  355 LYS B CG  1 
ATOM   2639 C CD  . LYS C 1 111 ? -8.648  -22.190 20.930  1.00 38.64  ?  355 LYS B CD  1 
ATOM   2640 C CE  . LYS C 1 111 ? -9.332  -22.860 19.790  1.00 42.80  ?  355 LYS B CE  1 
ATOM   2641 N NZ  . LYS C 1 111 ? -8.372  -23.228 18.752  1.00 44.74  ?  355 LYS B NZ  1 
ATOM   2642 N N   . HIS C 1 112 ? -5.275  -18.021 20.039  1.00 13.16  ?  356 HIS B N   1 
ATOM   2643 C CA  . HIS C 1 112 ? -4.016  -17.906 20.764  1.00 13.56  ?  356 HIS B CA  1 
ATOM   2644 C C   . HIS C 1 112 ? -3.635  -16.459 21.041  1.00 12.23  ?  356 HIS B C   1 
ATOM   2645 O O   . HIS C 1 112 ? -2.945  -16.224 22.030  1.00 11.70  ?  356 HIS B O   1 
ATOM   2646 C CB  . HIS C 1 112 ? -2.889  -18.684 20.066  1.00 14.21  ?  356 HIS B CB  1 
ATOM   2647 C CG  . HIS C 1 112 ? -3.153  -20.159 20.060  1.00 14.55  ?  356 HIS B CG  1 
ATOM   2648 N ND1 . HIS C 1 112 ? -3.089  -20.930 21.196  1.00 13.75  ?  356 HIS B ND1 1 
ATOM   2649 C CD2 . HIS C 1 112 ? -3.557  -20.966 19.080  1.00 14.62  ?  356 HIS B CD2 1 
ATOM   2650 C CE1 . HIS C 1 112 ? -3.381  -22.180 20.878  1.00 14.88  ?  356 HIS B CE1 1 
ATOM   2651 N NE2 . HIS C 1 112 ? -3.674  -22.226 19.603  1.00 15.13  ?  356 HIS B NE2 1 
ATOM   2652 N N   . ILE C 1 113 ? -4.014  -15.518 20.149  1.00 11.98  ?  357 ILE B N   1 
ATOM   2653 C CA  . ILE C 1 113 ? -3.669  -14.115 20.326  1.00 12.15  ?  357 ILE B CA  1 
ATOM   2654 C C   . ILE C 1 113 ? -4.390  -13.548 21.553  1.00 12.78  ?  357 ILE B C   1 
ATOM   2655 O O   . ILE C 1 113 ? -5.619  -13.556 21.639  1.00 12.18  ?  357 ILE B O   1 
ATOM   2656 C CB  . ILE C 1 113 ? -3.947  -13.296 19.048  1.00 12.04  ?  357 ILE B CB  1 
ATOM   2657 C CG1 . ILE C 1 113 ? -2.992  -13.691 17.894  1.00 11.90  ?  357 ILE B CG1 1 
ATOM   2658 C CG2 . ILE C 1 113 ? -3.867  -11.789 19.309  1.00 11.94  ?  357 ILE B CG2 1 
ATOM   2659 C CD1 . ILE C 1 113 ? -3.497  -13.305 16.513  1.00 11.91  ?  357 ILE B CD1 1 
ATOM   2660 N N   . ASP C 1 114 ? -3.593  -13.036 22.505  1.00 13.09  ?  358 ASP B N   1 
ATOM   2661 C CA  . ASP C 1 114 ? -4.078  -12.461 23.752  1.00 14.19  ?  358 ASP B CA  1 
ATOM   2662 C C   . ASP C 1 114 ? -4.959  -13.424 24.546  1.00 14.51  ?  358 ASP B C   1 
ATOM   2663 O O   . ASP C 1 114 ? -5.731  -12.980 25.402  1.00 14.50  ?  358 ASP B O   1 
ATOM   2664 C CB  . ASP C 1 114 ? -4.808  -11.149 23.515  1.00 15.62  ?  358 ASP B CB  1 
ATOM   2665 C CG  . ASP C 1 114 ? -3.917  -9.963  23.175  1.00 16.47  ?  358 ASP B CG  1 
ATOM   2666 O OD1 . ASP C 1 114 ? -2.713  -9.991  23.528  1.00 15.12  ?  358 ASP B OD1 1 
ATOM   2667 O OD2 . ASP C 1 114 ? -4.418  -9.055  22.493  1.00 18.62  ?  358 ASP B OD2 1 
ATOM   2668 N N   . ALA C 1 115 ? -4.776  -14.737 24.337  1.00 14.48  ?  359 ALA B N   1 
ATOM   2669 C CA  . ALA C 1 115 ? -5.568  -15.730 25.043  1.00 14.60  ?  359 ALA B CA  1 
ATOM   2670 C C   . ALA C 1 115 ? -5.409  -15.617 26.566  1.00 15.01  ?  359 ALA B C   1 
ATOM   2671 O O   . ALA C 1 115 ? -6.381  -15.849 27.287  1.00 14.46  ?  359 ALA B O   1 
ATOM   2672 C CB  . ALA C 1 115 ? -5.211  -17.093 24.551  1.00 14.52  ?  359 ALA B CB  1 
ATOM   2673 N N   . TYR C 1 116 ? -4.224  -15.191 27.037  1.00 16.43  ?  360 TYR B N   1 
ATOM   2674 C CA  . TYR C 1 116 ? -3.914  -15.094 28.461  1.00 17.63  ?  360 TYR B CA  1 
ATOM   2675 C C   . TYR C 1 116 ? -4.906  -14.172 29.179  1.00 18.71  ?  360 TYR B C   1 
ATOM   2676 O O   . TYR C 1 116 ? -5.097  -14.308 30.384  1.00 19.36  ?  360 TYR B O   1 
ATOM   2677 C CB  . TYR C 1 116 ? -2.481  -14.619 28.764  1.00 18.74  ?  360 TYR B CB  1 
ATOM   2678 C CG  . TYR C 1 116 ? -2.362  -13.126 28.513  1.00 18.25  ?  360 TYR B CG  1 
ATOM   2679 C CD1 . TYR C 1 116 ? -2.602  -12.217 29.526  1.00 19.51  ?  360 TYR B CD1 1 
ATOM   2680 C CD2 . TYR C 1 116 ? -2.142  -12.636 27.235  1.00 18.26  ?  360 TYR B CD2 1 
ATOM   2681 C CE1 . TYR C 1 116 ? -2.610  -10.855 29.285  1.00 20.45  ?  360 TYR B CE1 1 
ATOM   2682 C CE2 . TYR C 1 116 ? -2.131  -11.275 26.980  1.00 18.86  ?  360 TYR B CE2 1 
ATOM   2683 C CZ  . TYR C 1 116 ? -2.358  -10.380 28.009  1.00 19.55  ?  360 TYR B CZ  1 
ATOM   2684 O OH  . TYR C 1 116 ? -2.351  -9.035  27.767  1.00 20.34  ?  360 TYR B OH  1 
ATOM   2685 N N   . LYS C 1 117 ? -5.557  -13.249 28.464  1.00 19.18  ?  361 LYS B N   1 
ATOM   2686 C CA  . LYS C 1 117 ? -6.528  -12.348 29.080  1.00 21.58  ?  361 LYS B CA  1 
ATOM   2687 C C   . LYS C 1 117 ? -7.674  -13.084 29.777  1.00 21.21  ?  361 LYS B C   1 
ATOM   2688 O O   . LYS C 1 117 ? -8.256  -12.521 30.694  1.00 23.10  ?  361 LYS B O   1 
ATOM   2689 C CB  . LYS C 1 117 ? -7.115  -11.346 28.087  1.00 22.61  ?  361 LYS B CB  1 
ATOM   2690 C CG  . LYS C 1 117 ? -6.089  -10.325 27.684  1.00 24.15  ?  361 LYS B CG  1 
ATOM   2691 C CD  . LYS C 1 117 ? -6.664  -9.219  26.823  1.00 27.36  ?  361 LYS B CD  1 
ATOM   2692 C CE  . LYS C 1 117 ? -5.668  -8.126  26.656  1.00 28.69  ?  361 LYS B CE  1 
ATOM   2693 N NZ  . LYS C 1 117 ? -6.024  -7.329  25.489  1.00 30.41  ?  361 LYS B NZ  1 
ATOM   2694 N N   . THR C 1 118 ? -7.988  -14.324 29.373  1.00 20.50  ?  362 THR B N   1 
ATOM   2695 C CA  . THR C 1 118 ? -9.117  -15.042 29.953  1.00 20.63  ?  362 THR B CA  1 
ATOM   2696 C C   . THR C 1 118 ? -8.681  -16.137 30.927  1.00 19.54  ?  362 THR B C   1 
ATOM   2697 O O   . THR C 1 118 ? -9.534  -16.852 31.433  1.00 18.47  ?  362 THR B O   1 
ATOM   2698 C CB  . THR C 1 118 ? -10.015 -15.633 28.871  1.00 21.05  ?  362 THR B CB  1 
ATOM   2699 O OG1 . THR C 1 118 ? -9.250  -16.622 28.195  1.00 20.40  ?  362 THR B OG1 1 
ATOM   2700 C CG2 . THR C 1 118 ? -10.547 -14.567 27.932  1.00 23.52  ?  362 THR B CG2 1 
ATOM   2701 N N   . PHE C 1 119 ? -7.389  -16.260 31.230  1.00 18.94  ?  363 PHE B N   1 
ATOM   2702 C CA  . PHE C 1 119 ? -6.928  -17.349 32.071  1.00 19.56  ?  363 PHE B CA  1 
ATOM   2703 C C   . PHE C 1 119 ? -7.409  -17.126 33.509  1.00 21.26  ?  363 PHE B C   1 
ATOM   2704 O O   . PHE C 1 119 ? -7.390  -16.007 34.003  1.00 20.06  ?  363 PHE B O   1 
ATOM   2705 C CB  . PHE C 1 119 ? -5.400  -17.423 32.115  1.00 20.09  ?  363 PHE B CB  1 
ATOM   2706 C CG  . PHE C 1 119 ? -4.669  -17.809 30.838  1.00 18.69  ?  363 PHE B CG  1 
ATOM   2707 C CD1 . PHE C 1 119 ? -5.356  -18.228 29.703  1.00 18.73  ?  363 PHE B CD1 1 
ATOM   2708 C CD2 . PHE C 1 119 ? -3.276  -17.761 30.786  1.00 17.83  ?  363 PHE B CD2 1 
ATOM   2709 C CE1 . PHE C 1 119 ? -4.665  -18.589 28.558  1.00 18.97  ?  363 PHE B CE1 1 
ATOM   2710 C CE2 . PHE C 1 119 ? -2.598  -18.133 29.635  1.00 18.49  ?  363 PHE B CE2 1 
ATOM   2711 C CZ  . PHE C 1 119 ? -3.289  -18.541 28.526  1.00 17.81  ?  363 PHE B CZ  1 
ATOM   2712 N N   . PRO C 1 120 ? -7.782  -18.178 34.261  1.00 24.71  ?  364 PRO B N   1 
ATOM   2713 C CA  . PRO C 1 120 ? -8.119  -18.006 35.683  1.00 28.24  ?  364 PRO B CA  1 
ATOM   2714 C C   . PRO C 1 120 ? -6.906  -17.593 36.533  1.00 29.30  ?  364 PRO B C   1 
ATOM   2715 O O   . PRO C 1 120 ? -5.803  -17.672 35.947  1.00 32.07  ?  364 PRO B O   1 
ATOM   2716 C CB  . PRO C 1 120 ? -8.666  -19.388 36.102  1.00 28.81  ?  364 PRO B CB  1 
ATOM   2717 C CG  . PRO C 1 120 ? -8.132  -20.372 35.059  1.00 28.01  ?  364 PRO B CG  1 
ATOM   2718 C CD  . PRO C 1 120 ? -7.867  -19.573 33.798  1.00 25.96  ?  364 PRO B CD  1 
ATOM   2719 N N   . ALA D 1 10  ? -4.730  27.857  -25.547 1.00 59.54  ?  254 ALA D N   1 
ATOM   2720 C CA  . ALA D 1 10  ? -3.692  27.243  -26.412 1.00 57.87  ?  254 ALA D CA  1 
ATOM   2721 C C   . ALA D 1 10  ? -4.005  25.763  -26.594 1.00 54.58  ?  254 ALA D C   1 
ATOM   2722 O O   . ALA D 1 10  ? -4.453  25.097  -25.662 1.00 51.13  ?  254 ALA D O   1 
ATOM   2723 C CB  . ALA D 1 10  ? -2.297  27.441  -25.834 1.00 54.38  ?  254 ALA D CB  1 
ATOM   2724 N N   . SER D 1 11  ? -3.749  25.285  -27.814 1.00 54.54  ?  255 SER D N   1 
ATOM   2725 C CA  . SER D 1 11  ? -3.816  23.876  -28.161 1.00 53.85  ?  255 SER D CA  1 
ATOM   2726 C C   . SER D 1 11  ? -2.457  23.205  -27.953 1.00 51.52  ?  255 SER D C   1 
ATOM   2727 O O   . SER D 1 11  ? -2.313  22.008  -28.194 1.00 50.11  ?  255 SER D O   1 
ATOM   2728 C CB  . SER D 1 11  ? -4.294  23.726  -29.591 1.00 55.10  ?  255 SER D CB  1 
ATOM   2729 O OG  . SER D 1 11  ? -3.712  24.720  -30.426 1.00 55.90  ?  255 SER D OG  1 
ATOM   2730 N N   . LYS D 1 12  ? -1.454  23.986  -27.533 1.00 51.96  ?  256 LYS D N   1 
ATOM   2731 C CA  . LYS D 1 12  ? -0.138  23.454  -27.216 1.00 53.69  ?  256 LYS D CA  1 
ATOM   2732 C C   . LYS D 1 12  ? -0.199  22.596  -25.952 1.00 48.53  ?  256 LYS D C   1 
ATOM   2733 O O   . LYS D 1 12  ? 0.603   21.680  -25.784 1.00 44.35  ?  256 LYS D O   1 
ATOM   2734 C CB  . LYS D 1 12  ? 0.867   24.582  -26.960 1.00 60.02  ?  256 LYS D CB  1 
ATOM   2735 C CG  . LYS D 1 12  ? 1.160   25.479  -28.151 1.00 67.00  ?  256 LYS D CG  1 
ATOM   2736 C CD  . LYS D 1 12  ? 2.090   26.650  -27.839 1.00 70.34  ?  256 LYS D CD  1 
ATOM   2737 C CE  . LYS D 1 12  ? 1.650   27.444  -26.642 1.00 73.61  ?  256 LYS D CE  1 
ATOM   2738 N NZ  . LYS D 1 12  ? 2.194   28.805  -26.658 1.00 74.89  ?  256 LYS D NZ  1 
ATOM   2739 N N   . LYS D 1 13  ? -1.144  22.913  -25.056 1.00 42.81  ?  257 LYS D N   1 
ATOM   2740 C CA  . LYS D 1 13  ? -1.250  22.200  -23.798 1.00 37.88  ?  257 LYS D CA  1 
ATOM   2741 C C   . LYS D 1 13  ? -1.553  20.734  -24.084 1.00 30.18  ?  257 LYS D C   1 
ATOM   2742 O O   . LYS D 1 13  ? -2.248  20.405  -25.043 1.00 26.86  ?  257 LYS D O   1 
ATOM   2743 C CB  . LYS D 1 13  ? -2.308  22.811  -22.873 1.00 40.57  ?  257 LYS D CB  1 
ATOM   2744 C CG  . LYS D 1 13  ? -2.065  24.270  -22.571 1.00 43.81  ?  257 LYS D CG  1 
ATOM   2745 C CD  . LYS D 1 13  ? -2.427  24.691  -21.156 1.00 47.44  ?  257 LYS D CD  1 
ATOM   2746 C CE  . LYS D 1 13  ? -1.524  25.780  -20.660 1.00 52.06  ?  257 LYS D CE  1 
ATOM   2747 N NZ  . LYS D 1 13  ? -1.608  25.893  -19.203 1.00 56.66  ?  257 LYS D NZ  1 
ATOM   2748 N N   . PRO D 1 14  ? -1.059  19.810  -23.233 1.00 24.46  ?  258 PRO D N   1 
ATOM   2749 C CA  . PRO D 1 14  ? -1.568  18.435  -23.212 1.00 22.10  ?  258 PRO D CA  1 
ATOM   2750 C C   . PRO D 1 14  ? -3.087  18.498  -23.027 1.00 18.75  ?  258 PRO D C   1 
ATOM   2751 O O   . PRO D 1 14  ? -3.589  19.349  -22.292 1.00 17.05  ?  258 PRO D O   1 
ATOM   2752 C CB  . PRO D 1 14  ? -0.849  17.814  -21.995 1.00 21.87  ?  258 PRO D CB  1 
ATOM   2753 C CG  . PRO D 1 14  ? 0.403   18.653  -21.851 1.00 23.58  ?  258 PRO D CG  1 
ATOM   2754 C CD  . PRO D 1 14  ? -0.077  20.067  -22.170 1.00 25.05  ?  258 PRO D CD  1 
ATOM   2755 N N   . ARG D 1 15  ? -3.804  17.613  -23.713 1.00 17.74  ?  259 ARG D N   1 
ATOM   2756 C CA  . ARG D 1 15  ? -5.260  17.601  -23.709 1.00 18.57  ?  259 ARG D CA  1 
ATOM   2757 C C   . ARG D 1 15  ? -5.801  17.796  -22.284 1.00 15.16  ?  259 ARG D C   1 
ATOM   2758 O O   . ARG D 1 15  ? -6.668  18.625  -22.066 1.00 14.60  ?  259 ARG D O   1 
ATOM   2759 C CB  . ARG D 1 15  ? -5.739  16.306  -24.382 1.00 20.89  ?  259 ARG D CB  1 
ATOM   2760 C CG  . ARG D 1 15  ? -7.215  16.226  -24.752 1.00 24.51  ?  259 ARG D CG  1 
ATOM   2761 C CD  . ARG D 1 15  ? -7.522  14.919  -25.496 1.00 28.62  ?  259 ARG D CD  1 
ATOM   2762 N NE  . ARG D 1 15  ? -8.952  14.749  -25.776 1.00 33.32  ?  259 ARG D NE  1 
ATOM   2763 C CZ  . ARG D 1 15  ? -9.835  13.917  -25.187 1.00 34.48  ?  259 ARG D CZ  1 
ATOM   2764 N NH1 . ARG D 1 15  ? -9.444  12.914  -24.411 1.00 41.53  ?  259 ARG D NH1 1 
ATOM   2765 N NH2 . ARG D 1 15  ? -11.127 14.058  -25.419 1.00 28.50  ?  259 ARG D NH2 1 
ATOM   2766 N N   . GLN D 1 16  ? -5.308  17.038  -21.310 1.00 13.80  ?  260 GLN D N   1 
ATOM   2767 C CA  . GLN D 1 16  ? -5.895  17.064  -19.978 1.00 13.16  ?  260 GLN D CA  1 
ATOM   2768 C C   . GLN D 1 16  ? -5.735  18.421  -19.289 1.00 13.84  ?  260 GLN D C   1 
ATOM   2769 O O   . GLN D 1 16  ? -6.404  18.673  -18.296 1.00 12.76  ?  260 GLN D O   1 
ATOM   2770 C CB  . GLN D 1 16  ? -5.306  15.995  -19.075 1.00 13.04  ?  260 GLN D CB  1 
ATOM   2771 C CG  . GLN D 1 16  ? -3.831  16.167  -18.736 1.00 13.43  ?  260 GLN D CG  1 
ATOM   2772 C CD  . GLN D 1 16  ? -2.863  15.604  -19.762 1.00 13.68  ?  260 GLN D CD  1 
ATOM   2773 O OE1 . GLN D 1 16  ? -3.171  15.336  -20.931 1.00 13.59  ?  260 GLN D OE1 1 
ATOM   2774 N NE2 . GLN D 1 16  ? -1.645  15.398  -19.301 1.00 15.11  ?  260 GLN D NE2 1 
ATOM   2775 N N   . LYS D 1 17  ? -4.843  19.292  -19.787 1.00 14.17  ?  261 LYS D N   1 
ATOM   2776 C CA  . LYS D 1 17  ? -4.634  20.595  -19.184 1.00 15.71  ?  261 LYS D CA  1 
ATOM   2777 C C   . LYS D 1 17  ? -5.350  21.708  -19.945 1.00 15.74  ?  261 LYS D C   1 
ATOM   2778 O O   . LYS D 1 17  ? -5.325  22.844  -19.484 1.00 16.49  ?  261 LYS D O   1 
ATOM   2779 C CB  . LYS D 1 17  ? -3.142  20.941  -19.040 1.00 16.42  ?  261 LYS D CB  1 
ATOM   2780 C CG  . LYS D 1 17  ? -2.362  20.020  -18.112 1.00 16.41  ?  261 LYS D CG  1 
ATOM   2781 C CD  . LYS D 1 17  ? -2.977  19.907  -16.716 1.00 15.47  ?  261 LYS D CD  1 
ATOM   2782 C CE  . LYS D 1 17  ? -1.983  19.308  -15.792 1.00 15.23  ?  261 LYS D CE  1 
ATOM   2783 N NZ  . LYS D 1 17  ? -2.538  18.986  -14.484 1.00 14.10  ?  261 LYS D NZ  1 
ATOM   2784 N N   . ARG D 1 18  ? -6.033  21.404  -21.055 1.00 16.04  ?  262 ARG D N   1 
ATOM   2785 C CA  . ARG D 1 18  ? -6.706  22.450  -21.818 1.00 16.80  ?  262 ARG D CA  1 
ATOM   2786 C C   . ARG D 1 18  ? -7.868  23.069  -21.040 1.00 17.30  ?  262 ARG D C   1 
ATOM   2787 O O   . ARG D 1 18  ? -8.541  22.380  -20.260 1.00 15.36  ?  262 ARG D O   1 
ATOM   2788 C CB  . ARG D 1 18  ? -7.244  21.885  -23.131 1.00 18.26  ?  262 ARG D CB  1 
ATOM   2789 C CG  . ARG D 1 18  ? -6.123  21.537  -24.094 1.00 20.09  ?  262 ARG D CG  1 
ATOM   2790 C CD  . ARG D 1 18  ? -6.609  20.839  -25.342 1.00 21.83  ?  262 ARG D CD  1 
ATOM   2791 N NE  . ARG D 1 18  ? -5.408  20.402  -26.061 1.00 23.29  ?  262 ARG D NE  1 
ATOM   2792 C CZ  . ARG D 1 18  ? -5.365  19.627  -27.128 1.00 23.92  ?  262 ARG D CZ  1 
ATOM   2793 N NH1 . ARG D 1 18  ? -6.456  19.329  -27.791 1.00 23.18  ?  262 ARG D NH1 1 
ATOM   2794 N NH2 . ARG D 1 18  ? -4.203  19.186  -27.558 1.00 26.06  ?  262 ARG D NH2 1 
ATOM   2795 N N   . THR D 1 19  ? -8.143  24.353  -21.322 1.00 17.39  ?  263 THR D N   1 
ATOM   2796 C CA  . THR D 1 19  ? -9.333  25.030  -20.827 1.00 18.32  ?  263 THR D CA  1 
ATOM   2797 C C   . THR D 1 19  ? -10.166 25.507  -22.018 1.00 18.24  ?  263 THR D C   1 
ATOM   2798 O O   . THR D 1 19  ? -9.707  26.357  -22.789 1.00 16.99  ?  263 THR D O   1 
ATOM   2799 C CB  . THR D 1 19  ? -8.950  26.211  -19.934 1.00 20.67  ?  263 THR D CB  1 
ATOM   2800 O OG1 . THR D 1 19  ? -8.126  25.695  -18.902 1.00 22.20  ?  263 THR D OG1 1 
ATOM   2801 C CG2 . THR D 1 19  ? -10.138 26.883  -19.259 1.00 21.28  ?  263 THR D CG2 1 
ATOM   2802 N N   . ALA D 1 20  ? -11.383 24.971  -22.167 1.00 15.84  ?  264 ALA D N   1 
ATOM   2803 C CA  . ALA D 1 20  ? -12.249 25.419  -23.249 1.00 16.45  ?  264 ALA D CA  1 
ATOM   2804 C C   . ALA D 1 20  ? -12.854 26.770  -22.866 1.00 16.90  ?  264 ALA D C   1 
ATOM   2805 O O   . ALA D 1 20  ? -13.162 26.982  -21.688 1.00 15.36  ?  264 ALA D O   1 
ATOM   2806 C CB  . ALA D 1 20  ? -13.335 24.409  -23.567 1.00 15.52  ?  264 ALA D CB  1 
ATOM   2807 N N   . THR D 1 21  ? -12.953 27.657  -23.880 1.00 17.45  ?  265 THR D N   1 
ATOM   2808 C CA  . THR D 1 21  ? -13.592 28.967  -23.822 1.00 18.61  ?  265 THR D CA  1 
ATOM   2809 C C   . THR D 1 21  ? -14.381 29.167  -25.117 1.00 19.95  ?  265 THR D C   1 
ATOM   2810 O O   . THR D 1 21  ? -14.305 28.354  -26.039 1.00 18.41  ?  265 THR D O   1 
ATOM   2811 C CB  . THR D 1 21  ? -12.554 30.086  -23.674 1.00 19.22  ?  265 THR D CB  1 
ATOM   2812 O OG1 . THR D 1 21  ? -11.763 29.973  -24.854 1.00 19.28  ?  265 THR D OG1 1 
ATOM   2813 C CG2 . THR D 1 21  ? -11.674 29.941  -22.450 1.00 20.20  ?  265 THR D CG2 1 
ATOM   2814 N N   . LYS D 1 22  ? -15.071 30.301  -25.241 1.00 22.50  ?  266 LYS D N   1 
ATOM   2815 C CA  . LYS D 1 22  ? -15.649 30.670  -26.530 1.00 25.91  ?  266 LYS D CA  1 
ATOM   2816 C C   . LYS D 1 22  ? -14.601 30.677  -27.651 1.00 24.67  ?  266 LYS D C   1 
ATOM   2817 O O   . LYS D 1 22  ? -14.858 30.206  -28.757 1.00 22.97  ?  266 LYS D O   1 
ATOM   2818 C CB  . LYS D 1 22  ? -16.292 32.054  -26.465 1.00 31.56  ?  266 LYS D CB  1 
ATOM   2819 C CG  . LYS D 1 22  ? -17.771 32.089  -26.177 1.00 37.29  ?  266 LYS D CG  1 
ATOM   2820 C CD  . LYS D 1 22  ? -18.346 33.500  -26.292 1.00 45.67  ?  266 LYS D CD  1 
ATOM   2821 C CE  . LYS D 1 22  ? -18.327 34.112  -27.674 1.00 52.65  ?  266 LYS D CE  1 
ATOM   2822 N NZ  . LYS D 1 22  ? -19.494 33.755  -28.484 1.00 56.12  ?  266 LYS D NZ  1 
ATOM   2823 N N   . ALA D 1 23  ? -13.412 31.204  -27.357 1.00 24.57  ?  267 ALA D N   1 
ATOM   2824 C CA  . ALA D 1 23  ? -12.324 31.268  -28.329 1.00 25.52  ?  267 ALA D CA  1 
ATOM   2825 C C   . ALA D 1 23  ? -11.797 29.873  -28.688 1.00 24.21  ?  267 ALA D C   1 
ATOM   2826 O O   . ALA D 1 23  ? -11.304 29.661  -29.796 1.00 23.70  ?  267 ALA D O   1 
ATOM   2827 C CB  . ALA D 1 23  ? -11.219 32.144  -27.774 1.00 25.77  ?  267 ALA D CB  1 
ATOM   2828 N N   . TYR D 1 24  ? -11.877 28.922  -27.743 1.00 22.30  ?  268 TYR D N   1 
ATOM   2829 C CA  . TYR D 1 24  ? -11.313 27.600  -27.953 1.00 21.43  ?  268 TYR D CA  1 
ATOM   2830 C C   . TYR D 1 24  ? -12.242 26.586  -27.293 1.00 20.25  ?  268 TYR D C   1 
ATOM   2831 O O   . TYR D 1 24  ? -12.128 26.328  -26.089 1.00 17.80  ?  268 TYR D O   1 
ATOM   2832 C CB  . TYR D 1 24  ? -9.881  27.558  -27.400 1.00 21.69  ?  268 TYR D CB  1 
ATOM   2833 C CG  . TYR D 1 24  ? -9.134  26.246  -27.616 1.00 21.40  ?  268 TYR D CG  1 
ATOM   2834 C CD1 . TYR D 1 24  ? -8.963  25.689  -28.880 1.00 22.17  ?  268 TYR D CD1 1 
ATOM   2835 C CD2 . TYR D 1 24  ? -8.595  25.563  -26.537 1.00 21.31  ?  268 TYR D CD2 1 
ATOM   2836 C CE1 . TYR D 1 24  ? -8.275  24.495  -29.060 1.00 22.26  ?  268 TYR D CE1 1 
ATOM   2837 C CE2 . TYR D 1 24  ? -7.878  24.393  -26.704 1.00 21.52  ?  268 TYR D CE2 1 
ATOM   2838 C CZ  . TYR D 1 24  ? -7.735  23.845  -27.960 1.00 21.65  ?  268 TYR D CZ  1 
ATOM   2839 O OH  . TYR D 1 24  ? -7.027  22.696  -28.048 1.00 21.75  ?  268 TYR D OH  1 
ATOM   2840 N N   . ASN D 1 25  ? -13.168 26.034  -28.091 1.00 19.38  ?  269 ASN D N   1 
ATOM   2841 C CA  . ASN D 1 25  ? -14.383 25.473  -27.526 1.00 18.68  ?  269 ASN D CA  1 
ATOM   2842 C C   . ASN D 1 25  ? -14.196 23.984  -27.267 1.00 17.57  ?  269 ASN D C   1 
ATOM   2843 O O   . ASN D 1 25  ? -13.122 23.422  -27.502 1.00 16.76  ?  269 ASN D O   1 
ATOM   2844 C CB  . ASN D 1 25  ? -15.603 25.799  -28.374 1.00 19.26  ?  269 ASN D CB  1 
ATOM   2845 C CG  . ASN D 1 25  ? -15.631 25.086  -29.702 1.00 19.73  ?  269 ASN D CG  1 
ATOM   2846 O OD1 . ASN D 1 25  ? -15.298 23.905  -29.799 1.00 19.50  ?  269 ASN D OD1 1 
ATOM   2847 N ND2 . ASN D 1 25  ? -16.045 25.790  -30.747 1.00 22.06  ?  269 ASN D ND2 1 
ATOM   2848 N N   . VAL D 1 26  ? -15.262 23.355  -26.759 1.00 16.76  ?  270 VAL D N   1 
ATOM   2849 C CA  . VAL D 1 26  ? -15.142 22.014  -26.225 1.00 15.70  ?  270 VAL D CA  1 
ATOM   2850 C C   . VAL D 1 26  ? -14.831 21.054  -27.371 1.00 16.92  ?  270 VAL D C   1 
ATOM   2851 O O   . VAL D 1 26  ? -14.100 20.095  -27.160 1.00 17.14  ?  270 VAL D O   1 
ATOM   2852 C CB  . VAL D 1 26  ? -16.406 21.606  -25.452 1.00 15.10  ?  270 VAL D CB  1 
ATOM   2853 C CG1 . VAL D 1 26  ? -16.432 20.108  -25.160 1.00 14.54  ?  270 VAL D CG1 1 
ATOM   2854 C CG2 . VAL D 1 26  ? -16.558 22.427  -24.174 1.00 14.92  ?  270 VAL D CG2 1 
ATOM   2855 N N   . THR D 1 27  ? -15.397 21.308  -28.556 1.00 17.42  ?  271 THR D N   1 
ATOM   2856 C CA  . THR D 1 27  ? -15.164 20.466  -29.720 1.00 19.76  ?  271 THR D CA  1 
ATOM   2857 C C   . THR D 1 27  ? -13.705 20.616  -30.132 1.00 21.23  ?  271 THR D C   1 
ATOM   2858 O O   . THR D 1 27  ? -13.047 19.627  -30.432 1.00 22.57  ?  271 THR D O   1 
ATOM   2859 C CB  . THR D 1 27  ? -16.087 20.843  -30.884 1.00 20.87  ?  271 THR D CB  1 
ATOM   2860 O OG1 . THR D 1 27  ? -17.390 20.588  -30.389 1.00 22.30  ?  271 THR D OG1 1 
ATOM   2861 C CG2 . THR D 1 27  ? -15.861 20.028  -32.148 1.00 20.64  ?  271 THR D CG2 1 
ATOM   2862 N N   . GLN D 1 28  ? -13.218 21.857  -30.143 1.00 21.16  ?  272 GLN D N   1 
ATOM   2863 C CA  . GLN D 1 28  ? -11.864 22.126  -30.600 1.00 22.76  ?  272 GLN D CA  1 
ATOM   2864 C C   . GLN D 1 28  ? -10.850 21.525  -29.629 1.00 20.43  ?  272 GLN D C   1 
ATOM   2865 O O   . GLN D 1 28  ? -9.836  20.972  -30.040 1.00 20.09  ?  272 GLN D O   1 
ATOM   2866 C CB  . GLN D 1 28  ? -11.646 23.629  -30.748 1.00 24.26  ?  272 GLN D CB  1 
ATOM   2867 C CG  . GLN D 1 28  ? -12.490 24.303  -31.827 1.00 26.36  ?  272 GLN D CG  1 
ATOM   2868 C CD  . GLN D 1 28  ? -12.362 25.816  -31.799 1.00 28.93  ?  272 GLN D CD  1 
ATOM   2869 O OE1 . GLN D 1 28  ? -12.888 26.515  -30.921 1.00 29.45  ?  272 GLN D OE1 1 
ATOM   2870 N NE2 . GLN D 1 28  ? -11.632 26.347  -32.765 1.00 32.90  ?  272 GLN D NE2 1 
ATOM   2871 N N   . ALA D 1 29  ? -11.128 21.636  -28.327 1.00 20.22  ?  273 ALA D N   1 
ATOM   2872 C CA  . ALA D 1 29  ? -10.194 21.195  -27.304 1.00 18.92  ?  273 ALA D CA  1 
ATOM   2873 C C   . ALA D 1 29  ? -10.307 19.692  -27.054 1.00 17.77  ?  273 ALA D C   1 
ATOM   2874 O O   . ALA D 1 29  ? -9.286  19.058  -26.784 1.00 16.35  ?  273 ALA D O   1 
ATOM   2875 C CB  . ALA D 1 29  ? -10.404 21.990  -26.026 1.00 19.79  ?  273 ALA D CB  1 
ATOM   2876 N N   . PHE D 1 30  ? -11.522 19.109  -27.143 1.00 17.55  ?  274 PHE D N   1 
ATOM   2877 C CA  . PHE D 1 30  ? -11.712 17.762  -26.602 1.00 16.63  ?  274 PHE D CA  1 
ATOM   2878 C C   . PHE D 1 30  ? -12.428 16.802  -27.551 1.00 16.84  ?  274 PHE D C   1 
ATOM   2879 O O   . PHE D 1 30  ? -12.709 15.672  -27.172 1.00 17.48  ?  274 PHE D O   1 
ATOM   2880 C CB  . PHE D 1 30  ? -12.465 17.828  -25.272 1.00 15.13  ?  274 PHE D CB  1 
ATOM   2881 C CG  . PHE D 1 30  ? -11.796 18.713  -24.242 1.00 14.50  ?  274 PHE D CG  1 
ATOM   2882 C CD1 . PHE D 1 30  ? -10.517 18.419  -23.774 1.00 14.39  ?  274 PHE D CD1 1 
ATOM   2883 C CD2 . PHE D 1 30  ? -12.448 19.825  -23.726 1.00 14.70  ?  274 PHE D CD2 1 
ATOM   2884 C CE1 . PHE D 1 30  ? -9.901  19.219  -22.839 1.00 14.07  ?  274 PHE D CE1 1 
ATOM   2885 C CE2 . PHE D 1 30  ? -11.821 20.627  -22.779 1.00 14.72  ?  274 PHE D CE2 1 
ATOM   2886 C CZ  . PHE D 1 30  ? -10.539 20.335  -22.357 1.00 14.53  ?  274 PHE D CZ  1 
ATOM   2887 N N   . GLY D 1 31  ? -12.668 17.209  -28.795 1.00 18.91  ?  275 GLY D N   1 
ATOM   2888 C CA  . GLY D 1 31  ? -13.321 16.346  -29.765 1.00 18.77  ?  275 GLY D CA  1 
ATOM   2889 C C   . GLY D 1 31  ? -14.840 16.492  -29.720 1.00 19.54  ?  275 GLY D C   1 
ATOM   2890 O O   . GLY D 1 31  ? -15.426 16.984  -28.742 1.00 17.92  ?  275 GLY D O   1 
ATOM   2891 N N   . ARG D 1 32  ? -15.459 16.026  -30.807 1.00 21.71  ?  276 ARG D N   1 
ATOM   2892 C CA  . ARG D 1 32  ? -16.930 15.982  -30.862 1.00 22.21  ?  276 ARG D CA  1 
ATOM   2893 C C   . ARG D 1 32  ? -17.450 15.079  -29.745 1.00 19.62  ?  276 ARG D C   1 
ATOM   2894 O O   . ARG D 1 32  ? -16.761 14.135  -29.364 1.00 18.37  ?  276 ARG D O   1 
ATOM   2895 C CB  . ARG D 1 32  ? -17.429 15.246  -32.108 1.00 29.25  ?  276 ARG D CB  1 
ATOM   2896 C CG  . ARG D 1 32  ? -17.612 16.046  -33.386 1.00 35.86  ?  276 ARG D CG  1 
ATOM   2897 C CD  . ARG D 1 32  ? -17.952 15.098  -34.530 1.00 42.91  ?  276 ARG D CD  1 
ATOM   2898 N NE  . ARG D 1 32  ? -19.346 15.202  -34.966 1.00 46.77  ?  276 ARG D NE  1 
ATOM   2899 C CZ  . ARG D 1 32  ? -19.871 16.283  -35.517 1.00 50.56  ?  276 ARG D CZ  1 
ATOM   2900 N NH1 . ARG D 1 32  ? -19.207 16.926  -36.456 1.00 62.51  ?  276 ARG D NH1 1 
ATOM   2901 N NH2 . ARG D 1 32  ? -21.054 16.720  -35.128 1.00 48.04  ?  276 ARG D NH2 1 
ATOM   2902 N N   . ARG D 1 33  ? -18.632 15.391  -29.241 1.00 17.33  ?  277 ARG D N   1 
ATOM   2903 C CA  . ARG D 1 33  ? -19.285 14.515  -28.290 1.00 16.33  ?  277 ARG D CA  1 
ATOM   2904 C C   . ARG D 1 33  ? -19.742 13.271  -29.048 1.00 17.11  ?  277 ARG D C   1 
ATOM   2905 O O   . ARG D 1 33  ? -20.153 13.350  -30.205 1.00 17.70  ?  277 ARG D O   1 
ATOM   2906 C CB  . ARG D 1 33  ? -20.570 15.107  -27.729 1.00 15.70  ?  277 ARG D CB  1 
ATOM   2907 C CG  . ARG D 1 33  ? -20.533 16.543  -27.237 1.00 16.35  ?  277 ARG D CG  1 
ATOM   2908 C CD  . ARG D 1 33  ? -19.548 16.873  -26.187 1.00 15.59  ?  277 ARG D CD  1 
ATOM   2909 N NE  . ARG D 1 33  ? -18.130 16.887  -26.574 1.00 15.11  ?  277 ARG D NE  1 
ATOM   2910 C CZ  . ARG D 1 33  ? -17.241 16.586  -25.633 1.00 15.28  ?  277 ARG D CZ  1 
ATOM   2911 N NH1 . ARG D 1 33  ? -17.671 16.411  -24.391 1.00 15.18  ?  277 ARG D NH1 1 
ATOM   2912 N NH2 . ARG D 1 33  ? -15.977 16.386  -25.924 1.00 15.20  ?  277 ARG D NH2 1 
ATOM   2913 N N   . GLY D 1 34  ? -19.720 12.123  -28.395 1.00 18.02  ?  278 GLY D N   1 
ATOM   2914 C CA  . GLY D 1 34  ? -20.179 10.922  -29.068 1.00 18.45  ?  278 GLY D CA  1 
ATOM   2915 C C   . GLY D 1 34  ? -20.314 9.746   -28.115 1.00 20.24  ?  278 GLY D C   1 
ATOM   2916 O O   . GLY D 1 34  ? -20.010 9.854   -26.928 1.00 18.19  ?  278 GLY D O   1 
ATOM   2917 N N   . PRO D 1 35  ? -20.774 8.595   -28.640 1.00 22.21  ?  279 PRO D N   1 
ATOM   2918 C CA  . PRO D 1 35  ? -21.000 7.403   -27.830 1.00 24.89  ?  279 PRO D CA  1 
ATOM   2919 C C   . PRO D 1 35  ? -19.758 6.557   -27.599 1.00 26.92  ?  279 PRO D C   1 
ATOM   2920 O O   . PRO D 1 35  ? -19.800 5.678   -26.765 1.00 25.74  ?  279 PRO D O   1 
ATOM   2921 C CB  . PRO D 1 35  ? -22.043 6.655   -28.665 1.00 25.55  ?  279 PRO D CB  1 
ATOM   2922 C CG  . PRO D 1 35  ? -21.647 6.970   -30.087 1.00 26.46  ?  279 PRO D CG  1 
ATOM   2923 C CD  . PRO D 1 35  ? -21.187 8.420   -30.039 1.00 25.27  ?  279 PRO D CD  1 
ATOM   2924 N N   . GLU D 1 36  ? -18.653 6.854   -28.296 1.00 29.42  ?  280 GLU D N   1 
ATOM   2925 C CA  . GLU D 1 36  ? -17.476 5.997   -28.243 1.00 33.87  ?  280 GLU D CA  1 
ATOM   2926 C C   . GLU D 1 36  ? -16.778 6.148   -26.898 1.00 32.83  ?  280 GLU D C   1 
ATOM   2927 O O   . GLU D 1 36  ? -16.812 7.209   -26.288 1.00 29.71  ?  280 GLU D O   1 
ATOM   2928 C CB  . GLU D 1 36  ? -16.443 6.321   -29.323 1.00 36.77  ?  280 GLU D CB  1 
ATOM   2929 C CG  . GLU D 1 36  ? -17.013 6.289   -30.740 1.00 41.61  ?  280 GLU D CG  1 
ATOM   2930 C CD  . GLU D 1 36  ? -17.115 4.910   -31.356 1.00 47.72  ?  280 GLU D CD  1 
ATOM   2931 O OE1 . GLU D 1 36  ? -17.646 3.948   -30.733 1.00 49.44  ?  280 GLU D OE1 1 
ATOM   2932 O OE2 . GLU D 1 36  ? -16.634 4.830   -32.505 1.00 53.68  ?  280 GLU D OE2 1 
ATOM   2933 N N   . GLN D 1 37  ? -16.088 5.078   -26.498 1.00 35.34  ?  281 GLN D N   1 
ATOM   2934 C CA  . GLN D 1 37  ? -15.422 4.974   -25.214 1.00 36.07  ?  281 GLN D CA  1 
ATOM   2935 C C   . GLN D 1 37  ? -14.331 6.035   -25.096 1.00 33.28  ?  281 GLN D C   1 
ATOM   2936 O O   . GLN D 1 37  ? -14.048 6.505   -23.993 1.00 31.61  ?  281 GLN D O   1 
ATOM   2937 C CB  . GLN D 1 37  ? -14.869 3.549   -25.115 1.00 43.47  ?  281 GLN D CB  1 
ATOM   2938 C CG  . GLN D 1 37  ? -14.638 3.042   -23.694 1.00 47.27  ?  281 GLN D CG  1 
ATOM   2939 C CD  . GLN D 1 37  ? -15.844 3.220   -22.792 1.00 51.31  ?  281 GLN D CD  1 
ATOM   2940 O OE1 . GLN D 1 37  ? -15.720 3.510   -21.594 1.00 55.88  ?  281 GLN D OE1 1 
ATOM   2941 N NE2 . GLN D 1 37  ? -17.029 3.039   -23.356 1.00 48.32  ?  281 GLN D NE2 1 
ATOM   2942 N N   . THR D 1 38  ? -13.735 6.421   -26.234 1.00 31.02  ?  282 THR D N   1 
ATOM   2943 C CA  . THR D 1 38  ? -12.686 7.433   -26.251 1.00 31.58  ?  282 THR D CA  1 
ATOM   2944 C C   . THR D 1 38  ? -13.247 8.838   -26.470 1.00 27.56  ?  282 THR D C   1 
ATOM   2945 O O   . THR D 1 38  ? -12.478 9.792   -26.540 1.00 27.53  ?  282 THR D O   1 
ATOM   2946 C CB  . THR D 1 38  ? -11.667 7.088   -27.343 1.00 34.50  ?  282 THR D CB  1 
ATOM   2947 O OG1 . THR D 1 38  ? -12.381 7.115   -28.573 1.00 37.94  ?  282 THR D OG1 1 
ATOM   2948 C CG2 . THR D 1 38  ? -11.045 5.719   -27.141 1.00 35.33  ?  282 THR D CG2 1 
ATOM   2949 N N   . GLN D 1 39  ? -14.570 8.971   -26.606 1.00 22.45  ?  283 GLN D N   1 
ATOM   2950 C CA  . GLN D 1 39  ? -15.174 10.279  -26.785 1.00 19.89  ?  283 GLN D CA  1 
ATOM   2951 C C   . GLN D 1 39  ? -15.780 10.754  -25.467 1.00 17.02  ?  283 GLN D C   1 
ATOM   2952 O O   . GLN D 1 39  ? -16.248 9.941   -24.668 1.00 17.19  ?  283 GLN D O   1 
ATOM   2953 C CB  . GLN D 1 39  ? -16.275 10.228  -27.838 1.00 19.61  ?  283 GLN D CB  1 
ATOM   2954 C CG  . GLN D 1 39  ? -15.795 9.910   -29.247 1.00 21.14  ?  283 GLN D CG  1 
ATOM   2955 C CD  . GLN D 1 39  ? -16.949 9.710   -30.208 1.00 21.55  ?  283 GLN D CD  1 
ATOM   2956 O OE1 . GLN D 1 39  ? -17.877 8.922   -29.973 1.00 20.64  ?  283 GLN D OE1 1 
ATOM   2957 N NE2 . GLN D 1 39  ? -16.921 10.461  -31.295 1.00 21.94  ?  283 GLN D NE2 1 
ATOM   2958 N N   . GLY D 1 40  ? -15.801 12.077  -25.266 1.00 15.47  ?  284 GLY D N   1 
ATOM   2959 C CA  . GLY D 1 40  ? -16.614 12.680  -24.216 1.00 15.09  ?  284 GLY D CA  1 
ATOM   2960 C C   . GLY D 1 40  ? -18.088 12.722  -24.607 1.00 14.00  ?  284 GLY D C   1 
ATOM   2961 O O   . GLY D 1 40  ? -18.422 12.823  -25.785 1.00 14.28  ?  284 GLY D O   1 
ATOM   2962 N N   . ASN D 1 41  ? -18.993 12.672  -23.615 1.00 13.64  ?  285 ASN D N   1 
ATOM   2963 C CA  . ASN D 1 41  ? -20.415 12.631  -23.935 1.00 12.18  ?  285 ASN D CA  1 
ATOM   2964 C C   . ASN D 1 41  ? -21.148 13.816  -23.302 1.00 11.32  ?  285 ASN D C   1 
ATOM   2965 O O   . ASN D 1 41  ? -22.360 13.895  -23.405 1.00 10.79  ?  285 ASN D O   1 
ATOM   2966 C CB  . ASN D 1 41  ? -21.026 11.291  -23.530 1.00 11.88  ?  285 ASN D CB  1 
ATOM   2967 C CG  . ASN D 1 41  ? -21.083 11.171  -22.027 1.00 12.15  ?  285 ASN D CG  1 
ATOM   2968 O OD1 . ASN D 1 41  ? -20.250 11.762  -21.336 1.00 12.67  ?  285 ASN D OD1 1 
ATOM   2969 N ND2 . ASN D 1 41  ? -22.133 10.578  -21.488 1.00 13.16  ?  285 ASN D ND2 1 
ATOM   2970 N N   . PHE D 1 42  ? -20.422 14.741  -22.659 1.00 10.82  ?  286 PHE D N   1 
ATOM   2971 C CA  . PHE D 1 42  ? -21.052 15.753  -21.820 1.00 10.07  ?  286 PHE D CA  1 
ATOM   2972 C C   . PHE D 1 42  ? -21.027 17.117  -22.512 1.00 9.88   ?  286 PHE D C   1 
ATOM   2973 O O   . PHE D 1 42  ? -19.983 17.536  -23.039 1.00 9.16   ?  286 PHE D O   1 
ATOM   2974 C CB  . PHE D 1 42  ? -20.316 15.824  -20.487 1.00 10.11  ?  286 PHE D CB  1 
ATOM   2975 C CG  . PHE D 1 42  ? -20.947 16.710  -19.416 1.00 10.13  ?  286 PHE D CG  1 
ATOM   2976 C CD1 . PHE D 1 42  ? -21.807 16.174  -18.461 1.00 10.36  ?  286 PHE D CD1 1 
ATOM   2977 C CD2 . PHE D 1 42  ? -20.687 18.066  -19.361 1.00 10.41  ?  286 PHE D CD2 1 
ATOM   2978 C CE1 . PHE D 1 42  ? -22.367 16.965  -17.476 1.00 10.39  ?  286 PHE D CE1 1 
ATOM   2979 C CE2 . PHE D 1 42  ? -21.238 18.854  -18.360 1.00 10.54  ?  286 PHE D CE2 1 
ATOM   2980 C CZ  . PHE D 1 42  ? -22.087 18.304  -17.426 1.00 10.42  ?  286 PHE D CZ  1 
ATOM   2981 N N   . GLY D 1 43  ? -22.195 17.776  -22.493 1.00 9.79   ?  287 GLY D N   1 
ATOM   2982 C CA  . GLY D 1 43  ? -22.364 19.145  -22.961 1.00 10.46  ?  287 GLY D CA  1 
ATOM   2983 C C   . GLY D 1 43  ? -23.498 19.286  -23.983 1.00 10.85  ?  287 GLY D C   1 
ATOM   2984 O O   . GLY D 1 43  ? -23.514 18.568  -24.973 1.00 10.43  ?  287 GLY D O   1 
ATOM   2985 N N   . ASP D 1 44  ? -24.458 20.183  -23.703 1.00 11.74  ?  288 ASP D N   1 
ATOM   2986 C CA  . ASP D 1 44  ? -25.408 20.657  -24.703 1.00 12.51  ?  288 ASP D CA  1 
ATOM   2987 C C   . ASP D 1 44  ? -24.677 21.623  -25.641 1.00 13.43  ?  288 ASP D C   1 
ATOM   2988 O O   . ASP D 1 44  ? -23.477 21.855  -25.469 1.00 13.66  ?  288 ASP D O   1 
ATOM   2989 C CB  . ASP D 1 44  ? -26.672 21.196  -24.048 1.00 12.30  ?  288 ASP D CB  1 
ATOM   2990 C CG  . ASP D 1 44  ? -26.563 22.565  -23.386 1.00 13.07  ?  288 ASP D CG  1 
ATOM   2991 O OD1 . ASP D 1 44  ? -25.487 23.180  -23.450 1.00 12.35  ?  288 ASP D OD1 1 
ATOM   2992 O OD2 . ASP D 1 44  ? -27.576 23.006  -22.810 1.00 13.49  ?  288 ASP D OD2 1 
ATOM   2993 N N   . GLN D 1 45  ? -25.388 22.224  -26.610 1.00 13.80  ?  289 GLN D N   1 
ATOM   2994 C CA  . GLN D 1 45  ? -24.739 23.051  -27.621 1.00 14.72  ?  289 GLN D CA  1 
ATOM   2995 C C   . GLN D 1 45  ? -24.144 24.319  -27.013 1.00 14.48  ?  289 GLN D C   1 
ATOM   2996 O O   . GLN D 1 45  ? -23.090 24.764  -27.448 1.00 14.82  ?  289 GLN D O   1 
ATOM   2997 C CB  . GLN D 1 45  ? -25.708 23.387  -28.762 1.00 16.34  ?  289 GLN D CB  1 
ATOM   2998 C CG  . GLN D 1 45  ? -26.168 22.152  -29.531 1.00 17.27  ?  289 GLN D CG  1 
ATOM   2999 C CD  . GLN D 1 45  ? -27.140 22.455  -30.646 1.00 19.92  ?  289 GLN D CD  1 
ATOM   3000 O OE1 . GLN D 1 45  ? -28.319 22.073  -30.614 1.00 23.63  ?  289 GLN D OE1 1 
ATOM   3001 N NE2 . GLN D 1 45  ? -26.657 23.172  -31.639 1.00 20.26  ?  289 GLN D NE2 1 
ATOM   3002 N N   . GLU D 1 46  ? -24.836 24.934  -26.052 1.00 15.36  ?  290 GLU D N   1 
ATOM   3003 C CA  . GLU D 1 46  ? -24.368 26.144  -25.384 1.00 16.67  ?  290 GLU D CA  1 
ATOM   3004 C C   . GLU D 1 46  ? -23.073 25.902  -24.601 1.00 16.18  ?  290 GLU D C   1 
ATOM   3005 O O   . GLU D 1 46  ? -22.085 26.617  -24.754 1.00 15.34  ?  290 GLU D O   1 
ATOM   3006 C CB  . GLU D 1 46  ? -25.480 26.651  -24.468 1.00 19.33  ?  290 GLU D CB  1 
ATOM   3007 C CG  . GLU D 1 46  ? -25.243 28.064  -23.939 1.00 23.04  ?  290 GLU D CG  1 
ATOM   3008 C CD  . GLU D 1 46  ? -26.355 28.544  -22.994 1.00 26.85  ?  290 GLU D CD  1 
ATOM   3009 O OE1 . GLU D 1 46  ? -27.265 27.742  -22.633 1.00 26.05  ?  290 GLU D OE1 1 
ATOM   3010 O OE2 . GLU D 1 46  ? -26.301 29.736  -22.616 1.00 28.83  ?  290 GLU D OE2 1 
ATOM   3011 N N   . LEU D 1 47  ? -23.065 24.879  -23.747 1.00 15.23  ?  291 LEU D N   1 
ATOM   3012 C CA  . LEU D 1 47  ? -21.842 24.525  -23.041 1.00 14.86  ?  291 LEU D CA  1 
ATOM   3013 C C   . LEU D 1 47  ? -20.701 24.213  -24.012 1.00 14.14  ?  291 LEU D C   1 
ATOM   3014 O O   . LEU D 1 47  ? -19.570 24.609  -23.776 1.00 12.66  ?  291 LEU D O   1 
ATOM   3015 C CB  . LEU D 1 47  ? -22.018 23.364  -22.071 1.00 14.11  ?  291 LEU D CB  1 
ATOM   3016 C CG  . LEU D 1 47  ? -20.718 22.885  -21.423 1.00 14.33  ?  291 LEU D CG  1 
ATOM   3017 C CD1 . LEU D 1 47  ? -20.136 24.015  -20.601 1.00 15.30  ?  291 LEU D CD1 1 
ATOM   3018 C CD2 . LEU D 1 47  ? -20.947 21.679  -20.546 1.00 15.03  ?  291 LEU D CD2 1 
ATOM   3019 N N   . ILE D 1 48  ? -20.972 23.452  -25.071 1.00 15.22  ?  292 ILE D N   1 
ATOM   3020 C CA  . ILE D 1 48  ? -19.910 23.082  -25.985 1.00 16.21  ?  292 ILE D CA  1 
ATOM   3021 C C   . ILE D 1 48  ? -19.299 24.343  -26.599 1.00 16.19  ?  292 ILE D C   1 
ATOM   3022 O O   . ILE D 1 48  ? -18.096 24.438  -26.792 1.00 15.64  ?  292 ILE D O   1 
ATOM   3023 C CB  . ILE D 1 48  ? -20.426 22.128  -27.067 1.00 17.03  ?  292 ILE D CB  1 
ATOM   3024 C CG1 . ILE D 1 48  ? -20.715 20.748  -26.509 1.00 16.62  ?  292 ILE D CG1 1 
ATOM   3025 C CG2 . ILE D 1 48  ? -19.439 22.061  -28.234 1.00 19.05  ?  292 ILE D CG2 1 
ATOM   3026 C CD1 . ILE D 1 48  ? -21.372 19.829  -27.531 1.00 17.61  ?  292 ILE D CD1 1 
ATOM   3027 N N   . ARG D 1 49  ? -20.158 25.287  -26.947 1.00 17.54  ?  293 ARG D N   1 
ATOM   3028 C CA  . ARG D 1 49  ? -19.771 26.494  -27.663 1.00 18.86  ?  293 ARG D CA  1 
ATOM   3029 C C   . ARG D 1 49  ? -18.998 27.450  -26.751 1.00 17.70  ?  293 ARG D C   1 
ATOM   3030 O O   . ARG D 1 49  ? -18.145 28.191  -27.232 1.00 18.35  ?  293 ARG D O   1 
ATOM   3031 C CB  . ARG D 1 49  ? -21.085 27.117  -28.159 1.00 22.16  ?  293 ARG D CB  1 
ATOM   3032 C CG  . ARG D 1 49  ? -21.039 28.466  -28.864 1.00 29.25  ?  293 ARG D CG  1 
ATOM   3033 C CD  . ARG D 1 49  ? -22.434 28.989  -29.320 1.00 34.17  ?  293 ARG D CD  1 
ATOM   3034 N NE  . ARG D 1 49  ? -23.217 29.679  -28.277 1.00 37.98  ?  293 ARG D NE  1 
ATOM   3035 C CZ  . ARG D 1 49  ? -24.451 29.360  -27.834 1.00 43.48  ?  293 ARG D CZ  1 
ATOM   3036 N NH1 . ARG D 1 49  ? -25.079 28.256  -28.230 1.00 44.53  ?  293 ARG D NH1 1 
ATOM   3037 N NH2 . ARG D 1 49  ? -25.066 30.156  -26.973 1.00 46.69  ?  293 ARG D NH2 1 
ATOM   3038 N N   A GLN D 1 50  ? -19.297 27.432  -25.446 0.50 16.06  ?  294 GLN D N   1 
ATOM   3039 N N   B GLN D 1 50  ? -19.347 27.453  -25.455 0.50 16.78  ?  294 GLN D N   1 
ATOM   3040 C CA  A GLN D 1 50  ? -18.780 28.447  -24.541 0.50 15.66  ?  294 GLN D CA  1 
ATOM   3041 C CA  B GLN D 1 50  ? -18.838 28.433  -24.508 0.50 16.91  ?  294 GLN D CA  1 
ATOM   3042 C C   A GLN D 1 50  ? -17.790 27.885  -23.520 0.50 15.33  ?  294 GLN D C   1 
ATOM   3043 C C   B GLN D 1 50  ? -17.697 27.872  -23.654 0.50 16.09  ?  294 GLN D C   1 
ATOM   3044 O O   A GLN D 1 50  ? -17.127 28.651  -22.826 0.50 15.07  ?  294 GLN D O   1 
ATOM   3045 O O   B GLN D 1 50  ? -16.829 28.626  -23.221 0.50 16.12  ?  294 GLN D O   1 
ATOM   3046 C CB  A GLN D 1 50  ? -19.969 29.129  -23.873 0.50 15.38  ?  294 GLN D CB  1 
ATOM   3047 C CB  B GLN D 1 50  ? -19.950 28.923  -23.582 0.50 17.55  ?  294 GLN D CB  1 
ATOM   3048 C CG  A GLN D 1 50  ? -21.036 29.545  -24.877 0.50 15.79  ?  294 GLN D CG  1 
ATOM   3049 C CG  B GLN D 1 50  ? -21.049 29.731  -24.268 0.50 19.11  ?  294 GLN D CG  1 
ATOM   3050 C CD  A GLN D 1 50  ? -22.082 30.467  -24.303 0.50 15.94  ?  294 GLN D CD  1 
ATOM   3051 C CD  B GLN D 1 50  ? -20.567 31.039  -24.858 0.50 20.73  ?  294 GLN D CD  1 
ATOM   3052 O OE1 A GLN D 1 50  ? -22.454 31.457  -24.937 0.50 17.17  ?  294 GLN D OE1 1 
ATOM   3053 O OE1 B GLN D 1 50  ? -19.945 31.871  -24.192 0.50 22.66  ?  294 GLN D OE1 1 
ATOM   3054 N NE2 A GLN D 1 50  ? -22.563 30.148  -23.111 0.50 15.46  ?  294 GLN D NE2 1 
ATOM   3055 N NE2 B GLN D 1 50  ? -20.857 31.239  -26.132 0.50 22.23  ?  294 GLN D NE2 1 
ATOM   3056 N N   . GLY D 1 51  ? -17.696 26.560  -23.393 1.00 15.01  ?  295 GLY D N   1 
ATOM   3057 C CA  . GLY D 1 51  ? -16.786 26.001  -22.399 1.00 14.80  ?  295 GLY D CA  1 
ATOM   3058 C C   . GLY D 1 51  ? -16.911 26.717  -21.046 1.00 14.75  ?  295 GLY D C   1 
ATOM   3059 O O   . GLY D 1 51  ? -18.008 26.865  -20.506 1.00 14.92  ?  295 GLY D O   1 
ATOM   3060 N N   . THR D 1 52  ? -15.782 27.189  -20.508 1.00 15.19  ?  296 THR D N   1 
ATOM   3061 C CA  . THR D 1 52  ? -15.762 27.764  -19.177 1.00 15.04  ?  296 THR D CA  1 
ATOM   3062 C C   . THR D 1 52  ? -16.396 29.153  -19.158 1.00 15.71  ?  296 THR D C   1 
ATOM   3063 O O   . THR D 1 52  ? -16.489 29.717  -18.072 1.00 17.83  ?  296 THR D O   1 
ATOM   3064 C CB  . THR D 1 52  ? -14.348 27.806  -18.597 1.00 14.98  ?  296 THR D CB  1 
ATOM   3065 O OG1 . THR D 1 52  ? -13.504 28.496  -19.504 1.00 15.19  ?  296 THR D OG1 1 
ATOM   3066 C CG2 . THR D 1 52  ? -13.745 26.434  -18.371 1.00 14.57  ?  296 THR D CG2 1 
ATOM   3067 N N   . ASP D 1 53  ? -16.814 29.694  -20.316 1.00 16.60  ?  297 ASP D N   1 
ATOM   3068 C CA  . ASP D 1 53  ? -17.561 30.954  -20.379 1.00 17.18  ?  297 ASP D CA  1 
ATOM   3069 C C   . ASP D 1 53  ? -19.066 30.707  -20.229 1.00 16.92  ?  297 ASP D C   1 
ATOM   3070 O O   . ASP D 1 53  ? -19.859 31.639  -20.162 1.00 16.88  ?  297 ASP D O   1 
ATOM   3071 C CB  . ASP D 1 53  ? -17.324 31.718  -21.675 1.00 17.96  ?  297 ASP D CB  1 
ATOM   3072 C CG  . ASP D 1 53  ? -15.899 32.195  -21.881 1.00 18.81  ?  297 ASP D CG  1 
ATOM   3073 O OD1 . ASP D 1 53  ? -15.299 32.606  -20.891 1.00 19.59  ?  297 ASP D OD1 1 
ATOM   3074 O OD2 . ASP D 1 53  ? -15.396 32.126  -23.023 1.00 20.78  ?  297 ASP D OD2 1 
ATOM   3075 N N   . TYR D 1 54  ? -19.476 29.441  -20.189 1.00 16.22  ?  298 TYR D N   1 
ATOM   3076 C CA  . TYR D 1 54  ? -20.872 29.106  -19.994 1.00 15.50  ?  298 TYR D CA  1 
ATOM   3077 C C   . TYR D 1 54  ? -21.401 29.716  -18.702 1.00 15.57  ?  298 TYR D C   1 
ATOM   3078 O O   . TYR D 1 54  ? -20.716 29.702  -17.662 1.00 13.70  ?  298 TYR D O   1 
ATOM   3079 C CB  . TYR D 1 54  ? -20.948 27.586  -19.942 1.00 14.70  ?  298 TYR D CB  1 
ATOM   3080 C CG  . TYR D 1 54  ? -22.331 26.997  -19.734 1.00 14.76  ?  298 TYR D CG  1 
ATOM   3081 C CD1 . TYR D 1 54  ? -22.566 26.126  -18.673 1.00 14.48  ?  298 TYR D CD1 1 
ATOM   3082 C CD2 . TYR D 1 54  ? -23.366 27.215  -20.642 1.00 14.41  ?  298 TYR D CD2 1 
ATOM   3083 C CE1 . TYR D 1 54  ? -23.801 25.553  -18.472 1.00 14.19  ?  298 TYR D CE1 1 
ATOM   3084 C CE2 . TYR D 1 54  ? -24.616 26.660  -20.440 1.00 14.55  ?  298 TYR D CE2 1 
ATOM   3085 C CZ  . TYR D 1 54  ? -24.824 25.806  -19.371 1.00 14.68  ?  298 TYR D CZ  1 
ATOM   3086 O OH  . TYR D 1 54  ? -26.017 25.197  -19.149 1.00 15.45  ?  298 TYR D OH  1 
ATOM   3087 N N   . LYS D 1 55  ? -22.658 30.162  -18.783 1.00 16.10  ?  299 LYS D N   1 
ATOM   3088 C CA  . LYS D 1 55  ? -23.295 30.950  -17.736 1.00 18.61  ?  299 LYS D CA  1 
ATOM   3089 C C   . LYS D 1 55  ? -23.363 30.157  -16.430 1.00 17.23  ?  299 LYS D C   1 
ATOM   3090 O O   . LYS D 1 55  ? -23.352 30.754  -15.359 1.00 16.52  ?  299 LYS D O   1 
ATOM   3091 C CB  . LYS D 1 55  ? -24.706 31.402  -18.121 1.00 21.59  ?  299 LYS D CB  1 
ATOM   3092 C CG  . LYS D 1 55  ? -25.623 30.272  -18.527 1.00 25.55  ?  299 LYS D CG  1 
ATOM   3093 C CD  . LYS D 1 55  ? -26.935 30.622  -19.226 1.00 31.91  ?  299 LYS D CD  1 
ATOM   3094 C CE  . LYS D 1 55  ? -27.633 29.326  -19.574 1.00 34.16  ?  299 LYS D CE  1 
ATOM   3095 N NZ  . LYS D 1 55  ? -28.936 29.511  -20.223 1.00 36.88  ?  299 LYS D NZ  1 
ATOM   3096 N N   . HIS D 1 56  ? -23.447 28.824  -16.514 1.00 15.58  ?  300 HIS D N   1 
ATOM   3097 C CA  . HIS D 1 56  ? -23.558 28.007  -15.309 1.00 15.30  ?  300 HIS D CA  1 
ATOM   3098 C C   . HIS D 1 56  ? -22.297 27.160  -15.101 1.00 13.91  ?  300 HIS D C   1 
ATOM   3099 O O   . HIS D 1 56  ? -22.329 26.180  -14.367 1.00 12.61  ?  300 HIS D O   1 
ATOM   3100 C CB  . HIS D 1 56  ? -24.827 27.151  -15.345 1.00 16.79  ?  300 HIS D CB  1 
ATOM   3101 C CG  . HIS D 1 56  ? -26.102 27.922  -15.479 1.00 18.83  ?  300 HIS D CG  1 
ATOM   3102 N ND1 . HIS D 1 56  ? -26.358 29.132  -14.869 1.00 22.28  ?  300 HIS D ND1 1 
ATOM   3103 C CD2 . HIS D 1 56  ? -27.179 27.626  -16.185 1.00 21.57  ?  300 HIS D CD2 1 
ATOM   3104 C CE1 . HIS D 1 56  ? -27.568 29.550  -15.199 1.00 24.40  ?  300 HIS D CE1 1 
ATOM   3105 N NE2 . HIS D 1 56  ? -28.094 28.648  -16.005 1.00 24.45  ?  300 HIS D NE2 1 
ATOM   3106 N N   . TRP D 1 57  ? -21.158 27.607  -15.620 1.00 13.68  ?  301 TRP D N   1 
ATOM   3107 C CA  . TRP D 1 57  ? -19.936 26.816  -15.511 1.00 13.61  ?  301 TRP D CA  1 
ATOM   3108 C C   . TRP D 1 57  ? -19.571 26.526  -14.059 1.00 13.12  ?  301 TRP D C   1 
ATOM   3109 O O   . TRP D 1 57  ? -19.237 25.387  -13.742 1.00 12.75  ?  301 TRP D O   1 
ATOM   3110 C CB  . TRP D 1 57  ? -18.753 27.438  -16.262 1.00 13.38  ?  301 TRP D CB  1 
ATOM   3111 C CG  . TRP D 1 57  ? -17.513 26.598  -16.084 1.00 12.89  ?  301 TRP D CG  1 
ATOM   3112 C CD1 . TRP D 1 57  ? -16.394 26.887  -15.361 1.00 12.83  ?  301 TRP D CD1 1 
ATOM   3113 C CD2 . TRP D 1 57  ? -17.334 25.260  -16.590 1.00 12.45  ?  301 TRP D CD2 1 
ATOM   3114 N NE1 . TRP D 1 57  ? -15.521 25.827  -15.406 1.00 12.96  ?  301 TRP D NE1 1 
ATOM   3115 C CE2 . TRP D 1 57  ? -16.073 24.820  -16.154 1.00 12.44  ?  301 TRP D CE2 1 
ATOM   3116 C CE3 . TRP D 1 57  ? -18.112 24.404  -17.383 1.00 12.75  ?  301 TRP D CE3 1 
ATOM   3117 C CZ2 . TRP D 1 57  ? -15.584 23.553  -16.464 1.00 12.16  ?  301 TRP D CZ2 1 
ATOM   3118 C CZ3 . TRP D 1 57  ? -17.624 23.150  -17.694 1.00 12.00  ?  301 TRP D CZ3 1 
ATOM   3119 C CH2 . TRP D 1 57  ? -16.394 22.725  -17.205 1.00 11.68  ?  301 TRP D CH2 1 
ATOM   3120 N N   . PRO D 1 58  ? -19.654 27.498  -13.120 1.00 13.87  ?  302 PRO D N   1 
ATOM   3121 C CA  . PRO D 1 58  ? -19.300 27.232  -11.727 1.00 13.77  ?  302 PRO D CA  1 
ATOM   3122 C C   . PRO D 1 58  ? -20.105 26.068  -11.149 1.00 12.29  ?  302 PRO D C   1 
ATOM   3123 O O   . PRO D 1 58  ? -19.603 25.290  -10.339 1.00 11.11  ?  302 PRO D O   1 
ATOM   3124 C CB  . PRO D 1 58  ? -19.636 28.562  -11.024 1.00 15.01  ?  302 PRO D CB  1 
ATOM   3125 C CG  . PRO D 1 58  ? -19.558 29.582  -12.134 1.00 16.00  ?  302 PRO D CG  1 
ATOM   3126 C CD  . PRO D 1 58  ? -20.106 28.885  -13.342 1.00 15.09  ?  302 PRO D CD  1 
ATOM   3127 N N   . GLN D 1 59  ? -21.369 25.967  -11.566 1.00 11.99  ?  303 GLN D N   1 
ATOM   3128 C CA  . GLN D 1 59  ? -22.241 24.918  -11.043 1.00 12.67  ?  303 GLN D CA  1 
ATOM   3129 C C   . GLN D 1 59  ? -21.870 23.541  -11.609 1.00 12.01  ?  303 GLN D C   1 
ATOM   3130 O O   . GLN D 1 59  ? -22.228 22.534  -11.008 1.00 11.87  ?  303 GLN D O   1 
ATOM   3131 C CB  . GLN D 1 59  ? -23.722 25.203  -11.291 1.00 13.08  ?  303 GLN D CB  1 
ATOM   3132 C CG  . GLN D 1 59  ? -24.311 26.257  -10.361 1.00 14.80  ?  303 GLN D CG  1 
ATOM   3133 C CD  . GLN D 1 59  ? -23.783 27.651  -10.633 1.00 15.64  ?  303 GLN D CD  1 
ATOM   3134 O OE1 . GLN D 1 59  ? -23.693 28.072  -11.790 1.00 15.60  ?  303 GLN D OE1 1 
ATOM   3135 N NE2 . GLN D 1 59  ? -23.395 28.367  -9.581  1.00 16.55  ?  303 GLN D NE2 1 
ATOM   3136 N N   . ILE D 1 60  ? -21.189 23.495  -12.758 1.00 11.30  ?  304 ILE D N   1 
ATOM   3137 C CA  . ILE D 1 60  ? -20.621 22.251  -13.266 1.00 11.89  ?  304 ILE D CA  1 
ATOM   3138 C C   . ILE D 1 60  ? -19.284 21.978  -12.577 1.00 12.11  ?  304 ILE D C   1 
ATOM   3139 O O   . ILE D 1 60  ? -19.056 20.880  -12.080 1.00 11.67  ?  304 ILE D O   1 
ATOM   3140 C CB  . ILE D 1 60  ? -20.526 22.314  -14.805 1.00 13.09  ?  304 ILE D CB  1 
ATOM   3141 C CG1 . ILE D 1 60  ? -21.930 22.483  -15.399 1.00 13.55  ?  304 ILE D CG1 1 
ATOM   3142 C CG2 . ILE D 1 60  ? -19.792 21.114  -15.414 1.00 13.35  ?  304 ILE D CG2 1 
ATOM   3143 C CD1 . ILE D 1 60  ? -21.931 22.623  -16.904 1.00 15.08  ?  304 ILE D CD1 1 
ATOM   3144 N N   . ALA D 1 61  ? -18.446 23.010  -12.463 1.00 12.75  ?  305 ALA D N   1 
ATOM   3145 C CA  . ALA D 1 61  ? -17.071 22.887  -12.007 1.00 12.05  ?  305 ALA D CA  1 
ATOM   3146 C C   . ALA D 1 61  ? -17.006 22.446  -10.549 1.00 11.59  ?  305 ALA D C   1 
ATOM   3147 O O   . ALA D 1 61  ? -16.009 21.841  -10.137 1.00 10.70  ?  305 ALA D O   1 
ATOM   3148 C CB  . ALA D 1 61  ? -16.332 24.185  -12.184 1.00 12.77  ?  305 ALA D CB  1 
ATOM   3149 N N   . GLN D 1 62  ? -18.088 22.666  -9.802  1.00 10.86  ?  306 GLN D N   1 
ATOM   3150 C CA  . GLN D 1 62  ? -18.115 22.287  -8.396  1.00 10.87  ?  306 GLN D CA  1 
ATOM   3151 C C   . GLN D 1 62  ? -17.942 20.777  -8.226  1.00 10.45  ?  306 GLN D C   1 
ATOM   3152 O O   . GLN D 1 62  ? -17.644 20.304  -7.121  1.00 9.96   ?  306 GLN D O   1 
ATOM   3153 C CB  . GLN D 1 62  ? -19.408 22.764  -7.730  1.00 10.95  ?  306 GLN D CB  1 
ATOM   3154 C CG  . GLN D 1 62  ? -20.657 21.922  -7.991  1.00 10.68  ?  306 GLN D CG  1 
ATOM   3155 C CD  . GLN D 1 62  ? -21.907 22.573  -7.436  1.00 11.00  ?  306 GLN D CD  1 
ATOM   3156 O OE1 . GLN D 1 62  ? -21.966 22.920  -6.257  1.00 11.40  ?  306 GLN D OE1 1 
ATOM   3157 N NE2 . GLN D 1 62  ? -22.904 22.807  -8.279  1.00 11.10  ?  306 GLN D NE2 1 
ATOM   3158 N N   . PHE D 1 63  ? -18.214 20.032  -9.304  1.00 10.21  ?  307 PHE D N   1 
ATOM   3159 C CA  . PHE D 1 63  ? -18.153 18.570  -9.292  1.00 9.96   ?  307 PHE D CA  1 
ATOM   3160 C C   . PHE D 1 63  ? -16.800 18.056  -9.796  1.00 10.25  ?  307 PHE D C   1 
ATOM   3161 O O   . PHE D 1 63  ? -16.515 16.874  -9.642  1.00 10.14  ?  307 PHE D O   1 
ATOM   3162 C CB  . PHE D 1 63  ? -19.294 17.964  -10.117 1.00 9.73   ?  307 PHE D CB  1 
ATOM   3163 C CG  . PHE D 1 63  ? -20.680 18.229  -9.536  1.00 9.73   ?  307 PHE D CG  1 
ATOM   3164 C CD1 . PHE D 1 63  ? -21.057 17.655  -8.337  1.00 10.02  ?  307 PHE D CD1 1 
ATOM   3165 C CD2 . PHE D 1 63  ? -21.595 19.046  -10.192 1.00 10.03  ?  307 PHE D CD2 1 
ATOM   3166 C CE1 . PHE D 1 63  ? -22.319 17.915  -7.788  1.00 10.87  ?  307 PHE D CE1 1 
ATOM   3167 C CE2 . PHE D 1 63  ? -22.846 19.324  -9.641  1.00 10.03  ?  307 PHE D CE2 1 
ATOM   3168 C CZ  . PHE D 1 63  ? -23.202 18.771  -8.442  1.00 10.44  ?  307 PHE D CZ  1 
ATOM   3169 N N   . ALA D 1 64  ? -15.995 18.907  -10.444 1.00 10.40  ?  308 ALA D N   1 
ATOM   3170 C CA  . ALA D 1 64  ? -14.723 18.474  -11.017 1.00 10.55  ?  308 ALA D CA  1 
ATOM   3171 C C   . ALA D 1 64  ? -13.686 18.279  -9.914  1.00 10.28  ?  308 ALA D C   1 
ATOM   3172 O O   . ALA D 1 64  ? -13.617 19.051  -8.959  1.00 10.38  ?  308 ALA D O   1 
ATOM   3173 C CB  . ALA D 1 64  ? -14.220 19.438  -12.094 1.00 10.48  ?  308 ALA D CB  1 
ATOM   3174 N N   . PRO D 1 65  ? -12.875 17.197  -9.999  1.00 10.11  ?  309 PRO D N   1 
ATOM   3175 C CA  . PRO D 1 65  ? -11.891 16.886  -8.970  1.00 10.10  ?  309 PRO D CA  1 
ATOM   3176 C C   . PRO D 1 65  ? -10.635 17.739  -9.015  1.00 9.70   ?  309 PRO D C   1 
ATOM   3177 O O   . PRO D 1 65  ? -10.105 18.008  -10.079 1.00 8.91   ?  309 PRO D O   1 
ATOM   3178 C CB  . PRO D 1 65  ? -11.559 15.425  -9.254  1.00 10.33  ?  309 PRO D CB  1 
ATOM   3179 C CG  . PRO D 1 65  ? -11.738 15.279  -10.730 1.00 10.09  ?  309 PRO D CG  1 
ATOM   3180 C CD  . PRO D 1 65  ? -12.921 16.173  -11.060 1.00 10.18  ?  309 PRO D CD  1 
ATOM   3181 N N   . SER D 1 66  ? -10.164 18.135  -7.831  1.00 9.95   ?  310 SER D N   1 
ATOM   3182 C CA  . SER D 1 66  ? -8.791  18.571  -7.653  1.00 10.22  ?  310 SER D CA  1 
ATOM   3183 C C   . SER D 1 66  ? -7.835  17.479  -8.156  1.00 10.07  ?  310 SER D C   1 
ATOM   3184 O O   . SER D 1 66  ? -8.185  16.298  -8.247  1.00 9.20   ?  310 SER D O   1 
ATOM   3185 C CB  . SER D 1 66  ? -8.511  18.900  -6.218  1.00 10.23  ?  310 SER D CB  1 
ATOM   3186 O OG  . SER D 1 66  ? -8.471  17.710  -5.455  1.00 9.83   ?  310 SER D OG  1 
ATOM   3187 N N   . ALA D 1 67  ? -6.602  17.878  -8.471  1.00 9.97   ?  311 ALA D N   1 
ATOM   3188 C CA  . ALA D 1 67  ? -5.598  16.910  -8.869  1.00 10.13  ?  311 ALA D CA  1 
ATOM   3189 C C   . ALA D 1 67  ? -5.445  15.830  -7.788  1.00 10.22  ?  311 ALA D C   1 
ATOM   3190 O O   . ALA D 1 67  ? -5.362  14.627  -8.082  1.00 9.95   ?  311 ALA D O   1 
ATOM   3191 C CB  . ALA D 1 67  ? -4.282  17.633  -9.148  1.00 10.58  ?  311 ALA D CB  1 
ATOM   3192 N N   . SER D 1 68  ? -5.393  16.256  -6.526  1.00 10.07  ?  312 SER D N   1 
ATOM   3193 C CA  . SER D 1 68  ? -5.281  15.322  -5.424  1.00 10.11  ?  312 SER D CA  1 
ATOM   3194 C C   . SER D 1 68  ? -6.480  14.355  -5.365  1.00 9.71   ?  312 SER D C   1 
ATOM   3195 O O   . SER D 1 68  ? -6.315  13.158  -5.168  1.00 8.81   ?  312 SER D O   1 
ATOM   3196 C CB  . SER D 1 68  ? -5.118  16.089  -4.158  1.00 10.41  ?  312 SER D CB  1 
ATOM   3197 O OG  . SER D 1 68  ? -4.951  15.234  -3.040  1.00 10.71  ?  312 SER D OG  1 
ATOM   3198 N N   . ALA D 1 69  ? -7.700  14.888  -5.504  1.00 9.69   ?  313 ALA D N   1 
ATOM   3199 C CA  . ALA D 1 69  ? -8.907  14.069  -5.459  1.00 9.34   ?  313 ALA D CA  1 
ATOM   3200 C C   . ALA D 1 69  ? -8.995  13.160  -6.689  1.00 9.17   ?  313 ALA D C   1 
ATOM   3201 O O   . ALA D 1 69  ? -9.467  12.032  -6.571  1.00 9.14   ?  313 ALA D O   1 
ATOM   3202 C CB  . ALA D 1 69  ? -10.148 14.942  -5.328  1.00 9.38   ?  313 ALA D CB  1 
ATOM   3203 N N   . PHE D 1 70  ? -8.534  13.627  -7.858  1.00 9.30   ?  314 PHE D N   1 
ATOM   3204 C CA  . PHE D 1 70  ? -8.529  12.801  -9.054  1.00 9.43   ?  314 PHE D CA  1 
ATOM   3205 C C   . PHE D 1 70  ? -7.714  11.526  -8.803  1.00 9.14   ?  314 PHE D C   1 
ATOM   3206 O O   . PHE D 1 70  ? -8.171  10.430  -9.106  1.00 8.37   ?  314 PHE D O   1 
ATOM   3207 C CB  . PHE D 1 70  ? -8.045  13.621  -10.252 1.00 10.27  ?  314 PHE D CB  1 
ATOM   3208 C CG  . PHE D 1 70  ? -7.917  12.824  -11.540 1.00 10.64  ?  314 PHE D CG  1 
ATOM   3209 C CD1 . PHE D 1 70  ? -9.025  12.569  -12.346 1.00 11.00  ?  314 PHE D CD1 1 
ATOM   3210 C CD2 . PHE D 1 70  ? -6.682  12.332  -11.941 1.00 12.11  ?  314 PHE D CD2 1 
ATOM   3211 C CE1 . PHE D 1 70  ? -8.895  11.840  -13.516 1.00 11.00  ?  314 PHE D CE1 1 
ATOM   3212 C CE2 . PHE D 1 70  ? -6.560  11.582  -13.110 1.00 12.10  ?  314 PHE D CE2 1 
ATOM   3213 C CZ  . PHE D 1 70  ? -7.665  11.347  -13.891 1.00 11.73  ?  314 PHE D CZ  1 
ATOM   3214 N N   . PHE D 1 71  ? -6.527  11.670  -8.198  1.00 9.68   ?  315 PHE D N   1 
ATOM   3215 C CA  . PHE D 1 71  ? -5.659  10.540  -7.909  1.00 9.89   ?  315 PHE D CA  1 
ATOM   3216 C C   . PHE D 1 71  ? -6.062  9.801   -6.630  1.00 10.21  ?  315 PHE D C   1 
ATOM   3217 O O   . PHE D 1 71  ? -5.682  8.641   -6.457  1.00 9.45   ?  315 PHE D O   1 
ATOM   3218 C CB  . PHE D 1 71  ? -4.207  11.025  -7.905  1.00 10.27  ?  315 PHE D CB  1 
ATOM   3219 C CG  . PHE D 1 71  ? -3.658  11.055  -9.324  1.00 10.44  ?  315 PHE D CG  1 
ATOM   3220 C CD1 . PHE D 1 71  ? -3.555  12.248  -10.038 1.00 10.70  ?  315 PHE D CD1 1 
ATOM   3221 C CD2 . PHE D 1 71  ? -3.349  9.864   -9.978  1.00 10.95  ?  315 PHE D CD2 1 
ATOM   3222 C CE1 . PHE D 1 71  ? -3.127  12.245  -11.363 1.00 11.13  ?  315 PHE D CE1 1 
ATOM   3223 C CE2 . PHE D 1 71  ? -2.900  9.863   -11.295 1.00 11.12  ?  315 PHE D CE2 1 
ATOM   3224 C CZ  . PHE D 1 71  ? -2.791  11.056  -11.987 1.00 11.15  ?  315 PHE D CZ  1 
ATOM   3225 N N   . GLY D 1 72  ? -6.807  10.488  -5.747  1.00 10.26  ?  316 GLY D N   1 
ATOM   3226 C CA  . GLY D 1 72  ? -7.233  9.951   -4.466  1.00 10.50  ?  316 GLY D CA  1 
ATOM   3227 C C   . GLY D 1 72  ? -8.539  9.148   -4.534  1.00 10.65  ?  316 GLY D C   1 
ATOM   3228 O O   . GLY D 1 72  ? -8.670  8.127   -3.873  1.00 9.79   ?  316 GLY D O   1 
ATOM   3229 N N   . MET D 1 73  ? -9.493  9.605   -5.351  1.00 11.13  ?  317 MET D N   1 
ATOM   3230 C CA  . MET D 1 73  ? -10.814 8.994   -5.405  1.00 11.46  ?  317 MET D CA  1 
ATOM   3231 C C   . MET D 1 73  ? -10.938 7.949   -6.501  1.00 11.33  ?  317 MET D C   1 
ATOM   3232 O O   . MET D 1 73  ? -11.759 7.042   -6.355  1.00 11.65  ?  317 MET D O   1 
ATOM   3233 C CB  . MET D 1 73  ? -11.904 10.023  -5.710  1.00 11.82  ?  317 MET D CB  1 
ATOM   3234 C CG  . MET D 1 73  ? -12.016 11.130  -4.725  1.00 13.24  ?  317 MET D CG  1 
ATOM   3235 S SD  . MET D 1 73  ? -13.384 12.241  -5.121  1.00 14.87  ?  317 MET D SD  1 
ATOM   3236 C CE  . MET D 1 73  ? -13.029 12.708  -6.823  1.00 18.30  ?  317 MET D CE  1 
ATOM   3237 N N   . SER D 1 74  ? -10.205 8.118   -7.621  1.00 10.99  ?  318 SER D N   1 
ATOM   3238 C CA  . SER D 1 74  ? -10.421 7.312   -8.813  1.00 10.30  ?  318 SER D CA  1 
ATOM   3239 C C   . SER D 1 74  ? -9.750  5.948   -8.719  1.00 10.86  ?  318 SER D C   1 
ATOM   3240 O O   . SER D 1 74  ? -8.763  5.745   -8.003  1.00 11.40  ?  318 SER D O   1 
ATOM   3241 C CB  . SER D 1 74  ? -9.932  7.989   -10.083 1.00 10.00  ?  318 SER D CB  1 
ATOM   3242 O OG  . SER D 1 74  ? -10.390 9.326   -10.183 1.00 9.64   ?  318 SER D OG  1 
ATOM   3243 N N   . ARG D 1 75  ? -10.275 5.014   -9.520  1.00 11.53  ?  319 ARG D N   1 
ATOM   3244 C CA  . ARG D 1 75  ? -9.535  3.813   -9.842  1.00 12.07  ?  319 ARG D CA  1 
ATOM   3245 C C   . ARG D 1 75  ? -8.656  4.124   -11.045 1.00 10.83  ?  319 ARG D C   1 
ATOM   3246 O O   . ARG D 1 75  ? -9.132  4.471   -12.121 1.00 11.24  ?  319 ARG D O   1 
ATOM   3247 C CB  . ARG D 1 75  ? -10.446 2.605   -10.069 1.00 14.44  ?  319 ARG D CB  1 
ATOM   3248 C CG  . ARG D 1 75  ? -11.254 2.301   -8.817  1.00 17.66  ?  319 ARG D CG  1 
ATOM   3249 C CD  . ARG D 1 75  ? -11.848 0.896   -8.840  1.00 19.61  ?  319 ARG D CD  1 
ATOM   3250 N NE  . ARG D 1 75  ? -10.803 -0.113  -9.024  1.00 19.89  ?  319 ARG D NE  1 
ATOM   3251 C CZ  . ARG D 1 75  ? -9.965  -0.518  -8.069  1.00 21.21  ?  319 ARG D CZ  1 
ATOM   3252 N NH1 . ARG D 1 75  ? -9.071  -1.467  -8.342  1.00 21.40  ?  319 ARG D NH1 1 
ATOM   3253 N NH2 . ARG D 1 75  ? -10.043 0.017   -6.853  1.00 20.52  ?  319 ARG D NH2 1 
ATOM   3254 N N   . ILE D 1 76  ? -7.354  4.001   -10.841 1.00 10.41  ?  320 ILE D N   1 
ATOM   3255 C CA  . ILE D 1 76  ? -6.387  4.366   -11.850 1.00 9.99   ?  320 ILE D CA  1 
ATOM   3256 C C   . ILE D 1 76  ? -5.769  3.088   -12.400 1.00 10.56  ?  320 ILE D C   1 
ATOM   3257 O O   . ILE D 1 76  ? -5.447  2.182   -11.644 1.00 9.76   ?  320 ILE D O   1 
ATOM   3258 C CB  . ILE D 1 76  ? -5.299  5.278   -11.275 1.00 10.12  ?  320 ILE D CB  1 
ATOM   3259 C CG1 . ILE D 1 76  ? -5.876  6.581   -10.723 1.00 9.83   ?  320 ILE D CG1 1 
ATOM   3260 C CG2 . ILE D 1 76  ? -4.182  5.526   -12.301 1.00 10.35  ?  320 ILE D CG2 1 
ATOM   3261 C CD1 . ILE D 1 76  ? -6.514  7.493   -11.750 1.00 9.99   ?  320 ILE D CD1 1 
ATOM   3262 N N   . GLY D 1 77  ? -5.593  3.080   -13.716 1.00 11.06  ?  321 GLY D N   1 
ATOM   3263 C CA  . GLY D 1 77  ? -5.026  1.969   -14.450 1.00 12.05  ?  321 GLY D CA  1 
ATOM   3264 C C   . GLY D 1 77  ? -4.085  2.478   -15.543 1.00 13.07  ?  321 GLY D C   1 
ATOM   3265 O O   . GLY D 1 77  ? -4.008  3.684   -15.831 1.00 11.59  ?  321 GLY D O   1 
ATOM   3266 N N   . MET D 1 78  ? -3.396  1.535   -16.181 1.00 15.05  ?  322 MET D N   1 
ATOM   3267 C CA  . MET D 1 78  ? -2.617  1.848   -17.370 1.00 18.13  ?  322 MET D CA  1 
ATOM   3268 C C   . MET D 1 78  ? -2.866  0.777   -18.415 1.00 17.86  ?  322 MET D C   1 
ATOM   3269 O O   . MET D 1 78  ? -2.869  -0.395  -18.088 1.00 17.57  ?  322 MET D O   1 
ATOM   3270 C CB  . MET D 1 78  ? -1.128  2.008   -17.062 1.00 21.83  ?  322 MET D CB  1 
ATOM   3271 C CG  . MET D 1 78  ? -0.744  3.461   -16.722 1.00 25.76  ?  322 MET D CG  1 
ATOM   3272 S SD  . MET D 1 78  ? 0.970   3.749   -17.206 1.00 36.43  ?  322 MET D SD  1 
ATOM   3273 C CE  . MET D 1 78  ? 1.636   2.989   -15.722 1.00 36.80  ?  322 MET D CE  1 
ATOM   3274 N N   . GLU D 1 79  ? -3.177  1.209   -19.637 1.00 18.24  ?  323 GLU D N   1 
ATOM   3275 C CA  . GLU D 1 79  ? -3.430  0.305   -20.746 1.00 20.88  ?  323 GLU D CA  1 
ATOM   3276 C C   . GLU D 1 79  ? -2.530  0.686   -21.917 1.00 19.16  ?  323 GLU D C   1 
ATOM   3277 O O   . GLU D 1 79  ? -2.355  1.864   -22.180 1.00 18.00  ?  323 GLU D O   1 
ATOM   3278 C CB  . GLU D 1 79  ? -4.872  0.423   -21.247 1.00 24.10  ?  323 GLU D CB  1 
ATOM   3279 C CG  . GLU D 1 79  ? -5.923  -0.042  -20.253 1.00 29.50  ?  323 GLU D CG  1 
ATOM   3280 C CD  . GLU D 1 79  ? -7.306  -0.277  -20.854 1.00 35.78  ?  323 GLU D CD  1 
ATOM   3281 O OE1 . GLU D 1 79  ? -7.470  -0.199  -22.096 1.00 40.13  ?  323 GLU D OE1 1 
ATOM   3282 O OE2 . GLU D 1 79  ? -8.231  -0.563  -20.051 1.00 42.61  ?  323 GLU D OE2 1 
ATOM   3283 N N   . VAL D 1 80  ? -1.941  -0.310  -22.584 1.00 19.17  ?  324 VAL D N   1 
ATOM   3284 C CA  . VAL D 1 80  ? -1.230  -0.101  -23.838 1.00 20.12  ?  324 VAL D CA  1 
ATOM   3285 C C   . VAL D 1 80  ? -2.114  -0.622  -24.963 1.00 21.09  ?  324 VAL D C   1 
ATOM   3286 O O   . VAL D 1 80  ? -2.555  -1.770  -24.907 1.00 22.95  ?  324 VAL D O   1 
ATOM   3287 C CB  . VAL D 1 80  ? 0.133   -0.806  -23.849 1.00 20.98  ?  324 VAL D CB  1 
ATOM   3288 C CG1 . VAL D 1 80  ? 0.878   -0.606  -25.178 1.00 21.71  ?  324 VAL D CG1 1 
ATOM   3289 C CG2 . VAL D 1 80  ? 0.982   -0.342  -22.666 1.00 21.69  ?  324 VAL D CG2 1 
ATOM   3290 N N   . THR D 1 81  ? -2.423  0.245   -25.930 1.00 21.40  ?  325 THR D N   1 
ATOM   3291 C CA  . THR D 1 81  ? -3.210  -0.142  -27.099 1.00 21.86  ?  325 THR D CA  1 
ATOM   3292 C C   . THR D 1 81  ? -2.413  0.225   -28.349 1.00 21.76  ?  325 THR D C   1 
ATOM   3293 O O   . THR D 1 81  ? -1.379  0.888   -28.248 1.00 18.54  ?  325 THR D O   1 
ATOM   3294 C CB  . THR D 1 81  ? -4.563  0.576   -27.118 1.00 20.72  ?  325 THR D CB  1 
ATOM   3295 O OG1 . THR D 1 81  ? -4.234  1.923   -27.458 1.00 19.35  ?  325 THR D OG1 1 
ATOM   3296 C CG2 . THR D 1 81  ? -5.335  0.452   -25.813 1.00 21.65  ?  325 THR D CG2 1 
ATOM   3297 N N   . PRO D 1 82  ? -2.902  -0.125  -29.565 1.00 23.65  ?  326 PRO D N   1 
ATOM   3298 C CA  . PRO D 1 82  ? -2.224  0.279   -30.794 1.00 23.91  ?  326 PRO D CA  1 
ATOM   3299 C C   . PRO D 1 82  ? -1.987  1.779   -30.852 1.00 22.40  ?  326 PRO D C   1 
ATOM   3300 O O   . PRO D 1 82  ? -0.961  2.190   -31.359 1.00 21.81  ?  326 PRO D O   1 
ATOM   3301 C CB  . PRO D 1 82  ? -3.140  -0.233  -31.914 1.00 24.39  ?  326 PRO D CB  1 
ATOM   3302 C CG  . PRO D 1 82  ? -3.801  -1.450  -31.304 1.00 24.84  ?  326 PRO D CG  1 
ATOM   3303 C CD  . PRO D 1 82  ? -4.031  -1.037  -29.833 1.00 25.21  ?  326 PRO D CD  1 
ATOM   3304 N N   . SER D 1 83  ? -2.898  2.590   -30.294 1.00 21.99  ?  327 SER D N   1 
ATOM   3305 C CA  . SER D 1 83  ? -2.741  4.033   -30.407 1.00 22.68  ?  327 SER D CA  1 
ATOM   3306 C C   . SER D 1 83  ? -1.808  4.580   -29.326 1.00 22.83  ?  327 SER D C   1 
ATOM   3307 O O   . SER D 1 83  ? -1.353  5.719   -29.435 1.00 23.71  ?  327 SER D O   1 
ATOM   3308 C CB  . SER D 1 83  ? -4.072  4.756   -30.430 1.00 24.79  ?  327 SER D CB  1 
ATOM   3309 O OG  . SER D 1 83  ? -4.755  4.638   -29.182 1.00 27.32  ?  327 SER D OG  1 
ATOM   3310 N N   . GLY D 1 84  ? -1.491  3.801   -28.279 1.00 22.22  ?  328 GLY D N   1 
ATOM   3311 C CA  . GLY D 1 84  ? -0.498  4.279   -27.320 1.00 21.02  ?  328 GLY D CA  1 
ATOM   3312 C C   . GLY D 1 84  ? -0.702  3.739   -25.904 1.00 18.49  ?  328 GLY D C   1 
ATOM   3313 O O   . GLY D 1 84  ? -1.415  2.757   -25.706 1.00 16.93  ?  328 GLY D O   1 
ATOM   3314 N N   . THR D 1 85  ? -0.059  4.415   -24.942 1.00 16.65  ?  329 THR D N   1 
ATOM   3315 C CA  . THR D 1 85  ? -0.175  4.089   -23.530 1.00 16.15  ?  329 THR D CA  1 
ATOM   3316 C C   . THR D 1 85  ? -1.087  5.111   -22.860 1.00 15.82  ?  329 THR D C   1 
ATOM   3317 O O   . THR D 1 85  ? -0.875  6.306   -22.993 1.00 15.65  ?  329 THR D O   1 
ATOM   3318 C CB  . THR D 1 85  ? 1.197   4.082   -22.875 1.00 16.76  ?  329 THR D CB  1 
ATOM   3319 O OG1 . THR D 1 85  ? 1.947   3.140   -23.641 1.00 16.54  ?  329 THR D OG1 1 
ATOM   3320 C CG2 . THR D 1 85  ? 1.091   3.715   -21.406 1.00 16.52  ?  329 THR D CG2 1 
ATOM   3321 N N   . TRP D 1 86  ? -2.089  4.596   -22.137 1.00 15.38  ?  330 TRP D N   1 
ATOM   3322 C CA  . TRP D 1 86  ? -3.162  5.378   -21.563 1.00 14.87  ?  330 TRP D CA  1 
ATOM   3323 C C   . TRP D 1 86  ? -3.180  5.201   -20.055 1.00 14.06  ?  330 TRP D C   1 
ATOM   3324 O O   . TRP D 1 86  ? -3.045  4.086   -19.570 1.00 13.77  ?  330 TRP D O   1 
ATOM   3325 C CB  . TRP D 1 86  ? -4.489  4.888   -22.144 1.00 15.18  ?  330 TRP D CB  1 
ATOM   3326 C CG  . TRP D 1 86  ? -4.544  5.051   -23.625 1.00 16.30  ?  330 TRP D CG  1 
ATOM   3327 C CD1 . TRP D 1 86  ? -4.098  4.193   -24.577 1.00 17.11  ?  330 TRP D CD1 1 
ATOM   3328 C CD2 . TRP D 1 86  ? -5.125  6.165   -24.317 1.00 17.46  ?  330 TRP D CD2 1 
ATOM   3329 N NE1 . TRP D 1 86  ? -4.322  4.714   -25.818 1.00 17.56  ?  330 TRP D NE1 1 
ATOM   3330 C CE2 . TRP D 1 86  ? -4.969  5.910   -25.692 1.00 18.48  ?  330 TRP D CE2 1 
ATOM   3331 C CE3 . TRP D 1 86  ? -5.774  7.333   -23.906 1.00 17.63  ?  330 TRP D CE3 1 
ATOM   3332 C CZ2 . TRP D 1 86  ? -5.439  6.793   -26.655 1.00 19.01  ?  330 TRP D CZ2 1 
ATOM   3333 C CZ3 . TRP D 1 86  ? -6.235  8.206   -24.859 1.00 17.97  ?  330 TRP D CZ3 1 
ATOM   3334 C CH2 . TRP D 1 86  ? -6.094  7.920   -26.213 1.00 18.48  ?  330 TRP D CH2 1 
ATOM   3335 N N   . LEU D 1 87  ? -3.353  6.317   -19.347 1.00 12.99  ?  331 LEU D N   1 
ATOM   3336 C CA  . LEU D 1 87  ? -3.724  6.287   -17.954 1.00 13.19  ?  331 LEU D CA  1 
ATOM   3337 C C   . LEU D 1 87  ? -5.244  6.296   -17.920 1.00 11.74  ?  331 LEU D C   1 
ATOM   3338 O O   . LEU D 1 87  ? -5.841  7.270   -18.350 1.00 11.53  ?  331 LEU D O   1 
ATOM   3339 C CB  . LEU D 1 87  ? -3.133  7.520   -17.274 1.00 14.31  ?  331 LEU D CB  1 
ATOM   3340 C CG  . LEU D 1 87  ? -3.343  7.639   -15.766 1.00 15.76  ?  331 LEU D CG  1 
ATOM   3341 C CD1 . LEU D 1 87  ? -2.588  6.550   -15.046 1.00 17.11  ?  331 LEU D CD1 1 
ATOM   3342 C CD2 . LEU D 1 87  ? -2.829  8.957   -15.301 1.00 16.75  ?  331 LEU D CD2 1 
ATOM   3343 N N   . THR D 1 88  ? -5.845  5.208   -17.438 1.00 10.85  ?  332 THR D N   1 
ATOM   3344 C CA  . THR D 1 88  ? -7.292  5.109   -17.332 1.00 10.52  ?  332 THR D CA  1 
ATOM   3345 C C   . THR D 1 88  ? -7.740  5.555   -15.940 1.00 9.90   ?  332 THR D C   1 
ATOM   3346 O O   . THR D 1 88  ? -7.012  5.399   -14.958 1.00 10.29  ?  332 THR D O   1 
ATOM   3347 C CB  . THR D 1 88  ? -7.720  3.675   -17.655 1.00 10.56  ?  332 THR D CB  1 
ATOM   3348 O OG1 . THR D 1 88  ? -7.175  2.854   -16.620 1.00 10.42  ?  332 THR D OG1 1 
ATOM   3349 C CG2 . THR D 1 88  ? -7.227  3.268   -19.034 1.00 10.71  ?  332 THR D CG2 1 
ATOM   3350 N N   . TYR D 1 89  ? -8.972  6.092   -15.870 1.00 9.59   ?  333 TYR D N   1 
ATOM   3351 C CA  . TYR D 1 89  ? -9.556  6.528   -14.612 1.00 9.59   ?  333 TYR D CA  1 
ATOM   3352 C C   . TYR D 1 89  ? -11.052 6.242   -14.622 1.00 9.20   ?  333 TYR D C   1 
ATOM   3353 O O   . TYR D 1 89  ? -11.692 6.348   -15.685 1.00 9.05   ?  333 TYR D O   1 
ATOM   3354 C CB  . TYR D 1 89  ? -9.260  8.005   -14.371 1.00 9.48   ?  333 TYR D CB  1 
ATOM   3355 C CG  . TYR D 1 89  ? -9.812  8.975   -15.410 1.00 9.53   ?  333 TYR D CG  1 
ATOM   3356 C CD1 . TYR D 1 89  ? -9.053  9.379   -16.485 1.00 9.96   ?  333 TYR D CD1 1 
ATOM   3357 C CD2 . TYR D 1 89  ? -11.072 9.531   -15.280 1.00 9.48   ?  333 TYR D CD2 1 
ATOM   3358 C CE1 . TYR D 1 89  ? -9.541  10.257  -17.443 1.00 10.23  ?  333 TYR D CE1 1 
ATOM   3359 C CE2 . TYR D 1 89  ? -11.567 10.433  -16.211 1.00 9.42   ?  333 TYR D CE2 1 
ATOM   3360 C CZ  . TYR D 1 89  ? -10.804 10.804  -17.298 1.00 9.81   ?  333 TYR D CZ  1 
ATOM   3361 O OH  . TYR D 1 89  ? -11.270 11.699  -18.236 1.00 9.14   ?  333 TYR D OH  1 
ATOM   3362 N N   A THR D 1 90  ? -11.581 5.832   -13.454 0.50 9.00   ?  334 THR D N   1 
ATOM   3363 N N   B THR D 1 90  ? -11.570 5.848   -13.457 0.50 9.12   ?  334 THR D N   1 
ATOM   3364 C CA  A THR D 1 90  ? -13.010 5.605   -13.243 0.50 9.15   ?  334 THR D CA  1 
ATOM   3365 C CA  B THR D 1 90  ? -13.003 5.727   -13.251 0.50 9.37   ?  334 THR D CA  1 
ATOM   3366 C C   A THR D 1 90  ? -13.343 5.900   -11.782 0.50 9.11   ?  334 THR D C   1 
ATOM   3367 C C   B THR D 1 90  ? -13.290 6.110   -11.808 0.50 9.23   ?  334 THR D C   1 
ATOM   3368 O O   A THR D 1 90  ? -12.543 5.616   -10.892 0.50 9.15   ?  334 THR D O   1 
ATOM   3369 O O   B THR D 1 90  ? -12.384 6.167   -10.978 0.50 9.21   ?  334 THR D O   1 
ATOM   3370 C CB  A THR D 1 90  ? -13.461 4.174   -13.553 0.50 9.51   ?  334 THR D CB  1 
ATOM   3371 C CB  B THR D 1 90  ? -13.531 4.324   -13.552 0.50 9.91   ?  334 THR D CB  1 
ATOM   3372 O OG1 A THR D 1 90  ? -12.979 3.417   -12.448 0.50 9.82   ?  334 THR D OG1 1 
ATOM   3373 O OG1 B THR D 1 90  ? -14.925 4.389   -13.267 0.50 10.09  ?  334 THR D OG1 1 
ATOM   3374 C CG2 A THR D 1 90  ? -12.954 3.622   -14.872 0.50 9.50   ?  334 THR D CG2 1 
ATOM   3375 C CG2 B THR D 1 90  ? -12.948 3.261   -12.643 0.50 10.28  ?  334 THR D CG2 1 
ATOM   3376 N N   . GLY D 1 91  ? -14.558 6.405   -11.539 1.00 8.82   ?  335 GLY D N   1 
ATOM   3377 C CA  . GLY D 1 91  ? -14.970 6.770   -10.203 1.00 8.50   ?  335 GLY D CA  1 
ATOM   3378 C C   . GLY D 1 91  ? -16.392 7.330   -10.195 1.00 8.14   ?  335 GLY D C   1 
ATOM   3379 O O   . GLY D 1 91  ? -17.094 7.293   -11.200 1.00 7.27   ?  335 GLY D O   1 
ATOM   3380 N N   . ALA D 1 92  ? -16.813 7.758   -9.013  1.00 7.97   ?  336 ALA D N   1 
ATOM   3381 C CA  . ALA D 1 92  ? -18.152 8.258   -8.818  1.00 8.74   ?  336 ALA D CA  1 
ATOM   3382 C C   . ALA D 1 92  ? -18.103 9.324   -7.735  1.00 8.97   ?  336 ALA D C   1 
ATOM   3383 O O   . ALA D 1 92  ? -17.445 9.135   -6.729  1.00 8.90   ?  336 ALA D O   1 
ATOM   3384 C CB  . ALA D 1 92  ? -19.070 7.117   -8.481  1.00 8.94   ?  336 ALA D CB  1 
ATOM   3385 N N   . ILE D 1 93  ? -18.764 10.457  -7.988  1.00 9.83   ?  337 ILE D N   1 
ATOM   3386 C CA  . ILE D 1 93  ? -18.788 11.582  -7.061  1.00 10.38  ?  337 ILE D CA  1 
ATOM   3387 C C   . ILE D 1 93  ? -20.215 11.748  -6.531  1.00 10.61  ?  337 ILE D C   1 
ATOM   3388 O O   . ILE D 1 93  ? -21.167 11.878  -7.306  1.00 9.56   ?  337 ILE D O   1 
ATOM   3389 C CB  . ILE D 1 93  ? -18.256 12.820  -7.804  1.00 10.32  ?  337 ILE D CB  1 
ATOM   3390 C CG1 . ILE D 1 93  ? -16.776 12.643  -8.131  1.00 10.97  ?  337 ILE D CG1 1 
ATOM   3391 C CG2 . ILE D 1 93  ? -18.500 14.120  -7.044  1.00 10.58  ?  337 ILE D CG2 1 
ATOM   3392 C CD1 . ILE D 1 93  ? -16.312 13.595  -9.210  1.00 11.35  ?  337 ILE D CD1 1 
ATOM   3393 N N   A LYS D 1 94  ? -20.370 11.707  -5.204  0.50 10.97  ?  338 LYS D N   1 
ATOM   3394 N N   B LYS D 1 94  ? -20.356 11.745  -5.205  0.50 11.18  ?  338 LYS D N   1 
ATOM   3395 C CA  A LYS D 1 94  ? -21.697 11.796  -4.621  0.50 11.21  ?  338 LYS D CA  1 
ATOM   3396 C CA  B LYS D 1 94  ? -21.670 11.820  -4.596  0.50 11.59  ?  338 LYS D CA  1 
ATOM   3397 C C   A LYS D 1 94  ? -22.138 13.257  -4.584  0.50 11.40  ?  338 LYS D C   1 
ATOM   3398 C C   B LYS D 1 94  ? -22.137 13.273  -4.578  0.50 11.61  ?  338 LYS D C   1 
ATOM   3399 O O   A LYS D 1 94  ? -21.410 14.098  -4.067  0.50 11.32  ?  338 LYS D O   1 
ATOM   3400 O O   B LYS D 1 94  ? -21.422 14.130  -4.069  0.50 11.53  ?  338 LYS D O   1 
ATOM   3401 C CB  A LYS D 1 94  ? -21.795 11.226  -3.203  0.50 11.71  ?  338 LYS D CB  1 
ATOM   3402 C CB  B LYS D 1 94  ? -21.604 11.273  -3.171  0.50 12.44  ?  338 LYS D CB  1 
ATOM   3403 C CG  A LYS D 1 94  ? -23.231 11.140  -2.720  0.50 12.16  ?  338 LYS D CG  1 
ATOM   3404 C CG  B LYS D 1 94  ? -22.875 10.616  -2.676  0.50 13.16  ?  338 LYS D CG  1 
ATOM   3405 C CD  A LYS D 1 94  ? -23.447 10.914  -1.228  0.50 12.53  ?  338 LYS D CD  1 
ATOM   3406 C CD  B LYS D 1 94  ? -22.702 9.967   -1.315  0.50 14.02  ?  338 LYS D CD  1 
ATOM   3407 C CE  A LYS D 1 94  ? -23.815 9.519   -0.887  0.50 12.85  ?  338 LYS D CE  1 
ATOM   3408 C CE  B LYS D 1 94  ? -22.608 10.982  -0.214  0.50 14.87  ?  338 LYS D CE  1 
ATOM   3409 N NZ  A LYS D 1 94  ? -23.584 9.198   0.532   0.50 13.52  ?  338 LYS D NZ  1 
ATOM   3410 N NZ  B LYS D 1 94  ? -23.917 11.585  0.039   0.50 15.21  ?  338 LYS D NZ  1 
ATOM   3411 N N   . LEU D 1 95  ? -23.342 13.524  -5.118  1.00 11.62  ?  339 LEU D N   1 
ATOM   3412 C CA  . LEU D 1 95  ? -24.051 14.776  -4.913  1.00 12.65  ?  339 LEU D CA  1 
ATOM   3413 C C   . LEU D 1 95  ? -24.488 14.810  -3.453  1.00 13.37  ?  339 LEU D C   1 
ATOM   3414 O O   . LEU D 1 95  ? -24.869 13.791  -2.868  1.00 13.04  ?  339 LEU D O   1 
ATOM   3415 C CB  . LEU D 1 95  ? -25.270 14.945  -5.818  1.00 12.80  ?  339 LEU D CB  1 
ATOM   3416 C CG  . LEU D 1 95  ? -25.040 15.468  -7.241  1.00 12.99  ?  339 LEU D CG  1 
ATOM   3417 C CD1 . LEU D 1 95  ? -24.177 14.561  -8.111  1.00 13.35  ?  339 LEU D CD1 1 
ATOM   3418 C CD2 . LEU D 1 95  ? -26.397 15.684  -7.897  1.00 13.06  ?  339 LEU D CD2 1 
ATOM   3419 N N   . ASP D 1 96  ? -24.444 15.999  -2.868  1.00 14.18  ?  340 ASP D N   1 
ATOM   3420 C CA  . ASP D 1 96  ? -24.835 16.172  -1.481  1.00 15.38  ?  340 ASP D CA  1 
ATOM   3421 C C   . ASP D 1 96  ? -26.330 16.469  -1.423  1.00 15.33  ?  340 ASP D C   1 
ATOM   3422 O O   . ASP D 1 96  ? -26.798 17.548  -1.807  1.00 13.76  ?  340 ASP D O   1 
ATOM   3423 C CB  . ASP D 1 96  ? -24.058 17.327  -0.886  1.00 16.69  ?  340 ASP D CB  1 
ATOM   3424 C CG  . ASP D 1 96  ? -24.368 17.639  0.570   1.00 17.55  ?  340 ASP D CG  1 
ATOM   3425 O OD1 . ASP D 1 96  ? -23.798 18.633  1.056   1.00 18.67  ?  340 ASP D OD1 1 
ATOM   3426 O OD2 . ASP D 1 96  ? -25.196 16.925  1.159   1.00 17.51  ?  340 ASP D OD2 1 
ATOM   3427 N N   . ASP D 1 97  ? -27.112 15.527  -0.919  1.00 16.80  ?  341 ASP D N   1 
ATOM   3428 C CA  . ASP D 1 97  ? -28.547 15.762  -0.958  1.00 19.63  ?  341 ASP D CA  1 
ATOM   3429 C C   . ASP D 1 97  ? -28.987 16.695  0.175   1.00 19.06  ?  341 ASP D C   1 
ATOM   3430 O O   . ASP D 1 97  ? -30.130 17.090  0.194   1.00 19.31  ?  341 ASP D O   1 
ATOM   3431 C CB  . ASP D 1 97  ? -29.340 14.480  -1.118  1.00 24.35  ?  341 ASP D CB  1 
ATOM   3432 C CG  . ASP D 1 97  ? -29.040 13.424  -0.079  1.00 28.61  ?  341 ASP D CG  1 
ATOM   3433 O OD1 . ASP D 1 97  ? -28.455 12.376  -0.462  1.00 34.25  ?  341 ASP D OD1 1 
ATOM   3434 O OD2 . ASP D 1 97  ? -29.381 13.686  1.077   1.00 30.73  ?  341 ASP D OD2 1 
ATOM   3435 N N   . LYS D 1 98  ? -28.079 17.110  1.057   1.00 18.41  ?  342 LYS D N   1 
ATOM   3436 C CA  . LYS D 1 98  ? -28.363 18.189  1.984   1.00 20.47  ?  342 LYS D CA  1 
ATOM   3437 C C   . LYS D 1 98  ? -28.075 19.547  1.352   1.00 18.12  ?  342 LYS D C   1 
ATOM   3438 O O   . LYS D 1 98  ? -28.456 20.551  1.926   1.00 17.62  ?  342 LYS D O   1 
ATOM   3439 C CB  . LYS D 1 98  ? -27.580 18.102  3.297   1.00 23.60  ?  342 LYS D CB  1 
ATOM   3440 C CG  . LYS D 1 98  ? -27.764 16.804  4.063   1.00 27.84  ?  342 LYS D CG  1 
ATOM   3441 C CD  . LYS D 1 98  ? -29.165 16.200  3.995   1.00 32.56  ?  342 LYS D CD  1 
ATOM   3442 C CE  . LYS D 1 98  ? -29.159 14.815  4.606   1.00 38.97  ?  342 LYS D CE  1 
ATOM   3443 N NZ  . LYS D 1 98  ? -30.509 14.245  4.611   1.00 42.66  ?  342 LYS D NZ  1 
ATOM   3444 N N   . ASP D 1 99  ? -27.416 19.582  0.184   1.00 16.21  ?  343 ASP D N   1 
ATOM   3445 C CA  . ASP D 1 99  ? -27.210 20.838  -0.522  1.00 14.49  ?  343 ASP D CA  1 
ATOM   3446 C C   . ASP D 1 99  ? -28.573 21.322  -1.028  1.00 14.11  ?  343 ASP D C   1 
ATOM   3447 O O   . ASP D 1 99  ? -29.278 20.585  -1.707  1.00 12.83  ?  343 ASP D O   1 
ATOM   3448 C CB  . ASP D 1 99  ? -26.192 20.673  -1.632  1.00 13.78  ?  343 ASP D CB  1 
ATOM   3449 C CG  . ASP D 1 99  ? -25.763 21.931  -2.375  1.00 14.26  ?  343 ASP D CG  1 
ATOM   3450 O OD1 . ASP D 1 99  ? -24.654 21.886  -2.940  1.00 13.73  ?  343 ASP D OD1 1 
ATOM   3451 O OD2 . ASP D 1 99  ? -26.559 22.912  -2.449  1.00 14.08  ?  343 ASP D OD2 1 
ATOM   3452 N N   . PRO D 1 100 ? -28.991 22.573  -0.729  1.00 13.98  ?  344 PRO D N   1 
ATOM   3453 C CA  . PRO D 1 100 ? -30.289 23.070  -1.180  1.00 13.61  ?  344 PRO D CA  1 
ATOM   3454 C C   . PRO D 1 100 ? -30.389 23.244  -2.694  1.00 11.54  ?  344 PRO D C   1 
ATOM   3455 O O   . PRO D 1 100 ? -31.476 23.479  -3.213  1.00 11.61  ?  344 PRO D O   1 
ATOM   3456 C CB  . PRO D 1 100 ? -30.398 24.437  -0.453  1.00 14.82  ?  344 PRO D CB  1 
ATOM   3457 C CG  . PRO D 1 100 ? -28.980 24.887  -0.331  1.00 15.05  ?  344 PRO D CG  1 
ATOM   3458 C CD  . PRO D 1 100 ? -28.204 23.605  -0.034  1.00 15.07  ?  344 PRO D CD  1 
ATOM   3459 N N   . ASN D 1 101 ? -29.238 23.168  -3.383  1.00 10.39  ?  345 ASN D N   1 
ATOM   3460 C CA  . ASN D 1 101 ? -29.175 23.220  -4.830  1.00 9.78   ?  345 ASN D CA  1 
ATOM   3461 C C   . ASN D 1 101 ? -29.281 21.835  -5.476  1.00 9.46   ?  345 ASN D C   1 
ATOM   3462 O O   . ASN D 1 101 ? -29.255 21.729  -6.703  1.00 8.88   ?  345 ASN D O   1 
ATOM   3463 C CB  . ASN D 1 101 ? -27.898 23.913  -5.272  1.00 9.78   ?  345 ASN D CB  1 
ATOM   3464 C CG  . ASN D 1 101 ? -27.869 25.353  -4.816  1.00 10.16  ?  345 ASN D CG  1 
ATOM   3465 O OD1 . ASN D 1 101 ? -28.898 26.035  -4.819  1.00 10.13  ?  345 ASN D OD1 1 
ATOM   3466 N ND2 . ASN D 1 101 ? -26.731 25.794  -4.325  1.00 10.92  ?  345 ASN D ND2 1 
ATOM   3467 N N   . PHE D 1 102 ? -29.426 20.792  -4.657  1.00 9.51   ?  346 PHE D N   1 
ATOM   3468 C CA  . PHE D 1 102 ? -29.391 19.419  -5.142  1.00 9.99   ?  346 PHE D CA  1 
ATOM   3469 C C   . PHE D 1 102 ? -30.318 19.253  -6.349  1.00 10.48  ?  346 PHE D C   1 
ATOM   3470 O O   . PHE D 1 102 ? -29.914 18.748  -7.395  1.00 10.46  ?  346 PHE D O   1 
ATOM   3471 C CB  . PHE D 1 102 ? -29.789 18.436  -4.038  1.00 10.10  ?  346 PHE D CB  1 
ATOM   3472 C CG  . PHE D 1 102 ? -29.896 16.988  -4.497  1.00 10.84  ?  346 PHE D CG  1 
ATOM   3473 C CD1 . PHE D 1 102 ? -31.088 16.466  -4.996  1.00 10.96  ?  346 PHE D CD1 1 
ATOM   3474 C CD2 . PHE D 1 102 ? -28.784 16.156  -4.477  1.00 10.97  ?  346 PHE D CD2 1 
ATOM   3475 C CE1 . PHE D 1 102 ? -31.182 15.142  -5.424  1.00 10.63  ?  346 PHE D CE1 1 
ATOM   3476 C CE2 . PHE D 1 102 ? -28.893 14.825  -4.889  1.00 11.08  ?  346 PHE D CE2 1 
ATOM   3477 C CZ  . PHE D 1 102 ? -30.087 14.328  -5.374  1.00 10.92  ?  346 PHE D CZ  1 
ATOM   3478 N N   . LYS D 1 103 ? -31.571 19.695  -6.235  1.00 10.97  ?  347 LYS D N   1 
ATOM   3479 C CA  . LYS D 1 103 ? -32.515 19.426  -7.313  1.00 11.33  ?  347 LYS D CA  1 
ATOM   3480 C C   . LYS D 1 103 ? -32.106 20.115  -8.607  1.00 10.48  ?  347 LYS D C   1 
ATOM   3481 O O   . LYS D 1 103 ? -32.324 19.571  -9.682  1.00 9.83   ?  347 LYS D O   1 
ATOM   3482 C CB  . LYS D 1 103 ? -33.940 19.832  -6.935  1.00 12.60  ?  347 LYS D CB  1 
ATOM   3483 C CG  . LYS D 1 103 ? -34.591 18.776  -6.070  1.00 14.03  ?  347 LYS D CG  1 
ATOM   3484 C CD  . LYS D 1 103 ? -35.649 19.314  -5.124  1.00 15.99  ?  347 LYS D CD  1 
ATOM   3485 C CE  . LYS D 1 103 ? -36.088 18.193  -4.263  1.00 17.70  ?  347 LYS D CE  1 
ATOM   3486 N NZ  . LYS D 1 103 ? -37.413 18.482  -3.722  1.00 20.43  ?  347 LYS D NZ  1 
ATOM   3487 N N   . ASP D 1 104 ? -31.560 21.318  -8.481  1.00 9.89   ?  348 ASP D N   1 
ATOM   3488 C CA  . ASP D 1 104 ? -31.130 22.124  -9.613  1.00 9.72   ?  348 ASP D CA  1 
ATOM   3489 C C   . ASP D 1 104 ? -29.868 21.549  -10.218 1.00 9.47   ?  348 ASP D C   1 
ATOM   3490 O O   . ASP D 1 104 ? -29.707 21.622  -11.422 1.00 9.64   ?  348 ASP D O   1 
ATOM   3491 C CB  . ASP D 1 104 ? -30.930 23.582  -9.201  1.00 9.74   ?  348 ASP D CB  1 
ATOM   3492 C CG  . ASP D 1 104 ? -32.243 24.289  -8.883  1.00 10.35  ?  348 ASP D CG  1 
ATOM   3493 O OD1 . ASP D 1 104 ? -32.367 24.868  -7.768  1.00 10.28  ?  348 ASP D OD1 1 
ATOM   3494 O OD2 . ASP D 1 104 ? -33.143 24.199  -9.747  1.00 10.32  ?  348 ASP D OD2 1 
ATOM   3495 N N   . GLN D 1 105 ? -29.015 20.912  -9.392  1.00 9.37   ?  349 GLN D N   1 
ATOM   3496 C CA  . GLN D 1 105 ? -27.816 20.257  -9.891  1.00 8.98   ?  349 GLN D CA  1 
ATOM   3497 C C   . GLN D 1 105 ? -28.202 19.058  -10.742 1.00 8.94   ?  349 GLN D C   1 
ATOM   3498 O O   . GLN D 1 105 ? -27.608 18.807  -11.793 1.00 8.81   ?  349 GLN D O   1 
ATOM   3499 C CB  . GLN D 1 105 ? -26.935 19.795  -8.730  1.00 9.15   ?  349 GLN D CB  1 
ATOM   3500 C CG  . GLN D 1 105 ? -26.279 20.961  -8.014  1.00 9.57   ?  349 GLN D CG  1 
ATOM   3501 C CD  . GLN D 1 105 ? -25.776 20.638  -6.634  1.00 10.64  ?  349 GLN D CD  1 
ATOM   3502 O OE1 . GLN D 1 105 ? -25.786 19.484  -6.176  1.00 10.93  ?  349 GLN D OE1 1 
ATOM   3503 N NE2 . GLN D 1 105 ? -25.350 21.693  -5.950  1.00 11.05  ?  349 GLN D NE2 1 
ATOM   3504 N N   . VAL D 1 106 ? -29.184 18.298  -10.257 1.00 8.77   ?  350 VAL D N   1 
ATOM   3505 C CA  . VAL D 1 106 ? -29.681 17.164  -11.011 1.00 9.30   ?  350 VAL D CA  1 
ATOM   3506 C C   . VAL D 1 106 ? -30.162 17.629  -12.386 1.00 9.35   ?  350 VAL D C   1 
ATOM   3507 O O   . VAL D 1 106 ? -29.754 17.050  -13.407 1.00 9.07   ?  350 VAL D O   1 
ATOM   3508 C CB  . VAL D 1 106 ? -30.768 16.418  -10.222 1.00 9.92   ?  350 VAL D CB  1 
ATOM   3509 C CG1 . VAL D 1 106 ? -31.464 15.403  -11.108 1.00 10.58  ?  350 VAL D CG1 1 
ATOM   3510 C CG2 . VAL D 1 106 ? -30.167 15.752  -8.977  1.00 9.71   ?  350 VAL D CG2 1 
ATOM   3511 N N   . ILE D 1 107 ? -30.980 18.704  -12.398 1.00 9.42   ?  351 ILE D N   1 
ATOM   3512 C CA  . ILE D 1 107 ? -31.550 19.225  -13.633 1.00 9.47   ?  351 ILE D CA  1 
ATOM   3513 C C   . ILE D 1 107 ? -30.423 19.665  -14.584 1.00 9.43   ?  351 ILE D C   1 
ATOM   3514 O O   . ILE D 1 107 ? -30.444 19.416  -15.797 1.00 9.43   ?  351 ILE D O   1 
ATOM   3515 C CB  . ILE D 1 107 ? -32.566 20.354  -13.320 1.00 9.84   ?  351 ILE D CB  1 
ATOM   3516 C CG1 . ILE D 1 107 ? -33.822 19.791  -12.673 1.00 10.28  ?  351 ILE D CG1 1 
ATOM   3517 C CG2 . ILE D 1 107 ? -32.907 21.151  -14.586 1.00 10.13  ?  351 ILE D CG2 1 
ATOM   3518 C CD1 . ILE D 1 107 ? -34.771 20.816  -12.067 1.00 10.31  ?  351 ILE D CD1 1 
ATOM   3519 N N   . LEU D 1 108 ? -29.431 20.369  -14.045 1.00 9.50   ?  352 LEU D N   1 
ATOM   3520 C CA  . LEU D 1 108 ? -28.347 20.866  -14.860 1.00 9.62   ?  352 LEU D CA  1 
ATOM   3521 C C   . LEU D 1 108 ? -27.572 19.700  -15.475 1.00 9.46   ?  352 LEU D C   1 
ATOM   3522 O O   . LEU D 1 108 ? -27.228 19.718  -16.649 1.00 9.52   ?  352 LEU D O   1 
ATOM   3523 C CB  . LEU D 1 108 ? -27.444 21.740  -13.998 1.00 10.01  ?  352 LEU D CB  1 
ATOM   3524 C CG  . LEU D 1 108 ? -26.196 22.299  -14.683 1.00 10.31  ?  352 LEU D CG  1 
ATOM   3525 C CD1 . LEU D 1 108 ? -26.575 23.146  -15.893 1.00 10.64  ?  352 LEU D CD1 1 
ATOM   3526 C CD2 . LEU D 1 108 ? -25.422 23.111  -13.662 1.00 10.57  ?  352 LEU D CD2 1 
ATOM   3527 N N   . LEU D 1 109 ? -27.230 18.715  -14.656 1.00 9.49   ?  353 LEU D N   1 
ATOM   3528 C CA  . LEU D 1 109 ? -26.437 17.602  -15.131 1.00 9.99   ?  353 LEU D CA  1 
ATOM   3529 C C   . LEU D 1 109 ? -27.217 16.857  -16.211 1.00 10.43  ?  353 LEU D C   1 
ATOM   3530 O O   . LEU D 1 109 ? -26.634 16.454  -17.209 1.00 9.26   ?  353 LEU D O   1 
ATOM   3531 C CB  . LEU D 1 109 ? -26.011 16.706  -13.975 1.00 10.04  ?  353 LEU D CB  1 
ATOM   3532 C CG  . LEU D 1 109 ? -24.964 17.318  -13.046 1.00 10.00  ?  353 LEU D CG  1 
ATOM   3533 C CD1 . LEU D 1 109 ? -24.786 16.477  -11.790 1.00 10.19  ?  353 LEU D CD1 1 
ATOM   3534 C CD2 . LEU D 1 109 ? -23.657 17.478  -13.798 1.00 9.94   ?  353 LEU D CD2 1 
ATOM   3535 N N   . ASN D 1 110 ? -28.529 16.702  -15.992 1.00 11.32  ?  354 ASN D N   1 
ATOM   3536 C CA  . ASN D 1 110 ? -29.370 15.949  -16.905 1.00 12.76  ?  354 ASN D CA  1 
ATOM   3537 C C   . ASN D 1 110 ? -29.410 16.654  -18.259 1.00 13.23  ?  354 ASN D C   1 
ATOM   3538 O O   . ASN D 1 110 ? -29.618 16.005  -19.270 1.00 14.51  ?  354 ASN D O   1 
ATOM   3539 C CB  . ASN D 1 110 ? -30.790 15.761  -16.373 1.00 13.72  ?  354 ASN D CB  1 
ATOM   3540 C CG  . ASN D 1 110 ? -30.934 14.575  -15.453 1.00 14.87  ?  354 ASN D CG  1 
ATOM   3541 O OD1 . ASN D 1 110 ? -30.058 13.694  -15.441 1.00 16.71  ?  354 ASN D OD1 1 
ATOM   3542 N ND2 . ASN D 1 110 ? -32.060 14.492  -14.749 1.00 14.67  ?  354 ASN D ND2 1 
ATOM   3543 N N   . LYS D 1 111 ? -29.207 17.972  -18.267 1.00 12.88  ?  355 LYS D N   1 
ATOM   3544 C CA  . LYS D 1 111 ? -29.287 18.776  -19.480 1.00 14.60  ?  355 LYS D CA  1 
ATOM   3545 C C   . LYS D 1 111 ? -28.063 18.522  -20.360 1.00 12.84  ?  355 LYS D C   1 
ATOM   3546 O O   . LYS D 1 111 ? -28.119 18.762  -21.559 1.00 12.79  ?  355 LYS D O   1 
ATOM   3547 C CB  . LYS D 1 111 ? -29.374 20.233  -19.009 1.00 17.52  ?  355 LYS D CB  1 
ATOM   3548 C CG  . LYS D 1 111 ? -29.784 21.281  -19.991 1.00 23.27  ?  355 LYS D CG  1 
ATOM   3549 C CD  . LYS D 1 111 ? -29.683 22.695  -19.403 1.00 28.69  ?  355 LYS D CD  1 
ATOM   3550 C CE  . LYS D 1 111 ? -30.119 23.747  -20.380 1.00 32.17  ?  355 LYS D CE  1 
ATOM   3551 N NZ  . LYS D 1 111 ? -29.699 25.108  -20.000 1.00 36.84  ?  355 LYS D NZ  1 
ATOM   3552 N N   . HIS D 1 112 ? -26.946 18.103  -19.740 1.00 11.59  ?  356 HIS D N   1 
ATOM   3553 C CA  . HIS D 1 112 ? -25.653 18.021  -20.415 1.00 11.17  ?  356 HIS D CA  1 
ATOM   3554 C C   . HIS D 1 112 ? -25.258 16.582  -20.721 1.00 10.69  ?  356 HIS D C   1 
ATOM   3555 O O   . HIS D 1 112 ? -24.538 16.357  -21.685 1.00 11.59  ?  356 HIS D O   1 
ATOM   3556 C CB  . HIS D 1 112 ? -24.579 18.768  -19.614 1.00 11.23  ?  356 HIS D CB  1 
ATOM   3557 C CG  . HIS D 1 112 ? -24.808 20.245  -19.642 1.00 11.47  ?  356 HIS D CG  1 
ATOM   3558 N ND1 . HIS D 1 112 ? -24.684 20.964  -20.810 1.00 11.33  ?  356 HIS D ND1 1 
ATOM   3559 C CD2 . HIS D 1 112 ? -25.259 21.119  -18.711 1.00 11.59  ?  356 HIS D CD2 1 
ATOM   3560 C CE1 . HIS D 1 112 ? -24.984 22.228  -20.555 1.00 11.78  ?  356 HIS D CE1 1 
ATOM   3561 N NE2 . HIS D 1 112 ? -25.345 22.345  -19.297 1.00 11.42  ?  356 HIS D NE2 1 
ATOM   3562 N N   . ILE D 1 113 ? -25.649 15.620  -19.870 1.00 10.82  ?  357 ILE D N   1 
ATOM   3563 C CA  . ILE D 1 113 ? -25.248 14.228  -20.056 1.00 11.03  ?  357 ILE D CA  1 
ATOM   3564 C C   . ILE D 1 113 ? -25.920 13.680  -21.315 1.00 11.30  ?  357 ILE D C   1 
ATOM   3565 O O   . ILE D 1 113 ? -27.137 13.643  -21.421 1.00 11.07  ?  357 ILE D O   1 
ATOM   3566 C CB  . ILE D 1 113 ? -25.567 13.389  -18.808 1.00 11.32  ?  357 ILE D CB  1 
ATOM   3567 C CG1 . ILE D 1 113 ? -24.709 13.846  -17.630 1.00 11.38  ?  357 ILE D CG1 1 
ATOM   3568 C CG2 . ILE D 1 113 ? -25.421 11.896  -19.094 1.00 10.98  ?  357 ILE D CG2 1 
ATOM   3569 C CD1 . ILE D 1 113 ? -25.118 13.288  -16.289 1.00 12.26  ?  357 ILE D CD1 1 
ATOM   3570 N N   . ASP D 1 114 ? -25.096 13.307  -22.298 1.00 11.80  ?  358 ASP D N   1 
ATOM   3571 C CA  . ASP D 1 114 ? -25.554 12.748  -23.554 1.00 12.63  ?  358 ASP D CA  1 
ATOM   3572 C C   . ASP D 1 114 ? -26.476 13.702  -24.303 1.00 13.05  ?  358 ASP D C   1 
ATOM   3573 O O   . ASP D 1 114 ? -27.285 13.254  -25.109 1.00 14.52  ?  358 ASP D O   1 
ATOM   3574 C CB  . ASP D 1 114 ? -26.247 11.413  -23.347 1.00 13.59  ?  358 ASP D CB  1 
ATOM   3575 C CG  . ASP D 1 114 ? -25.314 10.242  -23.090 1.00 14.04  ?  358 ASP D CG  1 
ATOM   3576 O OD1 . ASP D 1 114 ? -24.113 10.337  -23.417 1.00 12.78  ?  358 ASP D OD1 1 
ATOM   3577 O OD2 . ASP D 1 114 ? -25.783 9.289   -22.481 1.00 15.99  ?  358 ASP D OD2 1 
ATOM   3578 N N   . ALA D 1 115 ? -26.330 15.008  -24.093 1.00 12.89  ?  359 ALA D N   1 
ATOM   3579 C CA  . ALA D 1 115 ? -27.168 15.955  -24.809 1.00 12.81  ?  359 ALA D CA  1 
ATOM   3580 C C   . ALA D 1 115 ? -26.991 15.824  -26.328 1.00 12.89  ?  359 ALA D C   1 
ATOM   3581 O O   . ALA D 1 115 ? -27.956 16.047  -27.058 1.00 12.86  ?  359 ALA D O   1 
ATOM   3582 C CB  . ALA D 1 115 ? -26.895 17.368  -24.330 1.00 12.34  ?  359 ALA D CB  1 
ATOM   3583 N N   . TYR D 1 116 ? -25.778 15.459  -26.788 1.00 12.90  ?  360 TYR D N   1 
ATOM   3584 C CA  . TYR D 1 116 ? -25.472 15.410  -28.203 1.00 14.11  ?  360 TYR D CA  1 
ATOM   3585 C C   . TYR D 1 116 ? -26.490 14.544  -28.956 1.00 14.88  ?  360 TYR D C   1 
ATOM   3586 O O   . TYR D 1 116 ? -26.702 14.745  -30.153 1.00 14.89  ?  360 TYR D O   1 
ATOM   3587 C CB  . TYR D 1 116 ? -24.054 14.886  -28.456 1.00 14.88  ?  360 TYR D CB  1 
ATOM   3588 C CG  . TYR D 1 116 ? -23.914 13.394  -28.215 1.00 15.08  ?  360 TYR D CG  1 
ATOM   3589 C CD1 . TYR D 1 116 ? -24.156 12.484  -29.235 1.00 15.97  ?  360 TYR D CD1 1 
ATOM   3590 C CD2 . TYR D 1 116 ? -23.595 12.897  -26.964 1.00 15.02  ?  360 TYR D CD2 1 
ATOM   3591 C CE1 . TYR D 1 116 ? -24.068 11.118  -29.030 1.00 16.88  ?  360 TYR D CE1 1 
ATOM   3592 C CE2 . TYR D 1 116 ? -23.501 11.529  -26.742 1.00 16.37  ?  360 TYR D CE2 1 
ATOM   3593 C CZ  . TYR D 1 116 ? -23.714 10.633  -27.785 1.00 17.28  ?  360 TYR D CZ  1 
ATOM   3594 O OH  . TYR D 1 116 ? -23.641 9.280   -27.578 1.00 18.23  ?  360 TYR D OH  1 
ATOM   3595 N N   . LYS D 1 117 ? -27.105 13.575  -28.273 1.00 15.07  ?  361 LYS D N   1 
ATOM   3596 C CA  . LYS D 1 117 ? -27.990 12.621  -28.937 1.00 17.69  ?  361 LYS D CA  1 
ATOM   3597 C C   . LYS D 1 117 ? -29.196 13.324  -29.560 1.00 18.57  ?  361 LYS D C   1 
ATOM   3598 O O   . LYS D 1 117 ? -29.780 12.791  -30.486 1.00 18.76  ?  361 LYS D O   1 
ATOM   3599 C CB  . LYS D 1 117 ? -28.505 11.519  -28.005 1.00 18.79  ?  361 LYS D CB  1 
ATOM   3600 C CG  . LYS D 1 117 ? -27.441 10.579  -27.495 1.00 19.26  ?  361 LYS D CG  1 
ATOM   3601 C CD  . LYS D 1 117 ? -28.037 9.452   -26.666 1.00 21.07  ?  361 LYS D CD  1 
ATOM   3602 C CE  . LYS D 1 117 ? -27.028 8.450   -26.265 1.00 23.05  ?  361 LYS D CE  1 
ATOM   3603 N NZ  . LYS D 1 117 ? -27.657 7.480   -25.375 1.00 27.53  ?  361 LYS D NZ  1 
ATOM   3604 N N   . THR D 1 118 ? -29.539 14.531  -29.092 1.00 19.23  ?  362 THR D N   1 
ATOM   3605 C CA  . THR D 1 118 ? -30.685 15.241  -29.633 1.00 18.93  ?  362 THR D CA  1 
ATOM   3606 C C   . THR D 1 118 ? -30.250 16.317  -30.620 1.00 17.94  ?  362 THR D C   1 
ATOM   3607 O O   . THR D 1 118 ? -31.104 17.025  -31.125 1.00 16.71  ?  362 THR D O   1 
ATOM   3608 C CB  . THR D 1 118 ? -31.523 15.876  -28.523 1.00 20.34  ?  362 THR D CB  1 
ATOM   3609 O OG1 . THR D 1 118 ? -30.741 16.867  -27.859 1.00 20.85  ?  362 THR D OG1 1 
ATOM   3610 C CG2 . THR D 1 118 ? -32.008 14.857  -27.514 1.00 23.21  ?  362 THR D CG2 1 
ATOM   3611 N N   . PHE D 1 119 ? -28.957 16.453  -30.864 1.00 17.72  ?  363 PHE D N   1 
ATOM   3612 C CA  . PHE D 1 119 ? -28.467 17.574  -31.699 1.00 18.14  ?  363 PHE D CA  1 
ATOM   3613 C C   . PHE D 1 119 ? -28.937 17.412  -33.145 1.00 20.05  ?  363 PHE D C   1 
ATOM   3614 O O   . PHE D 1 119 ? -29.044 16.279  -33.622 1.00 19.74  ?  363 PHE D O   1 
ATOM   3615 C CB  . PHE D 1 119 ? -26.941 17.666  -31.680 1.00 17.95  ?  363 PHE D CB  1 
ATOM   3616 C CG  . PHE D 1 119 ? -26.274 18.141  -30.400 1.00 17.25  ?  363 PHE D CG  1 
ATOM   3617 C CD1 . PHE D 1 119 ? -27.023 18.524  -29.295 1.00 16.08  ?  363 PHE D CD1 1 
ATOM   3618 C CD2 . PHE D 1 119 ? -24.889 18.197  -30.310 1.00 15.98  ?  363 PHE D CD2 1 
ATOM   3619 C CE1 . PHE D 1 119 ? -26.404 18.935  -28.130 1.00 15.24  ?  363 PHE D CE1 1 
ATOM   3620 C CE2 . PHE D 1 119 ? -24.278 18.611  -29.141 1.00 16.07  ?  363 PHE D CE2 1 
ATOM   3621 C CZ  . PHE D 1 119 ? -25.034 18.982  -28.059 1.00 15.18  ?  363 PHE D CZ  1 
ATOM   3622 N N   . PRO D 1 120 ? -29.271 18.517  -33.837 1.00 21.43  ?  364 PRO D N   1 
ATOM   3623 C CA  . PRO D 1 120 ? -29.577 18.429  -35.261 1.00 26.03  ?  364 PRO D CA  1 
ATOM   3624 C C   . PRO D 1 120 ? -28.301 18.018  -36.013 1.00 28.01  ?  364 PRO D C   1 
ATOM   3625 O O   . PRO D 1 120 ? -28.360 17.728  -37.206 1.00 33.08  ?  364 PRO D O   1 
ATOM   3626 C CB  . PRO D 1 120 ? -30.044 19.830  -35.613 1.00 25.72  ?  364 PRO D CB  1 
ATOM   3627 C CG  . PRO D 1 120 ? -29.491 20.711  -34.514 1.00 25.69  ?  364 PRO D CG  1 
ATOM   3628 C CD  . PRO D 1 120 ? -29.399 19.840  -33.281 1.00 22.80  ?  364 PRO D CD  1 
HETATM 3629 S S   . SO4 E 2 .   ? 6.262   -11.571 -5.247  1.00 47.87  ?  501 SO4 A S   1 
HETATM 3630 O O1  . SO4 E 2 .   ? 6.413   -12.873 -5.843  1.00 53.82  ?  501 SO4 A O1  1 
HETATM 3631 O O2  . SO4 E 2 .   ? 6.131   -10.591 -6.296  1.00 55.08  ?  501 SO4 A O2  1 
HETATM 3632 O O3  . SO4 E 2 .   ? 7.427   -11.258 -4.448  1.00 46.37  ?  501 SO4 A O3  1 
HETATM 3633 O O4  . SO4 E 2 .   ? 5.087   -11.548 -4.418  1.00 46.01  ?  501 SO4 A O4  1 
HETATM 3634 C C1  . 9F2 F 3 .   ? 34.833  -9.137  -10.439 1.00 51.07  ?  502 9F2 A C1  1 
HETATM 3635 S S1  . 9F2 F 3 .   ? 33.229  -9.158  -9.682  1.00 40.48  ?  502 9F2 A S1  1 
HETATM 3636 C C2  . 9F2 F 3 .   ? 33.639  -10.219 -8.269  1.00 42.85  ?  502 9F2 A C2  1 
HETATM 3637 C C3  . 9F2 F 3 .   ? 34.497  -11.441 -8.517  1.00 45.46  ?  502 9F2 A C3  1 
HETATM 3638 C C4  . 9F2 F 3 .   ? 34.268  -12.625 -7.554  1.00 46.12  ?  502 9F2 A C4  1 
HETATM 3639 S S2  . 9F2 F 3 .   ? 32.859  -13.741 -7.901  1.00 44.28  ?  502 9F2 A S2  1 
HETATM 3640 C C5  . 9F2 F 3 .   ? 31.347  -13.176 -7.156  1.00 41.44  ?  502 9F2 A C5  1 
HETATM 3641 N N1  . 9F2 F 3 .   ? 31.398  -12.155 -6.282  1.00 37.73  ?  502 9F2 A N1  1 
HETATM 3642 C C6  . 9F2 F 3 .   ? 30.227  -11.687 -5.740  1.00 32.36  ?  502 9F2 A C6  1 
HETATM 3643 O O1  . 9F2 F 3 .   ? 30.361  -10.751 -4.928  1.00 34.05  ?  502 9F2 A O1  1 
HETATM 3644 C C7  . 9F2 F 3 .   ? 29.001  -12.221 -6.090  1.00 33.11  ?  502 9F2 A C7  1 
HETATM 3645 O O2  . 9F2 F 3 .   ? 27.931  -11.817 -5.618  1.00 32.43  ?  502 9F2 A O2  1 
HETATM 3646 N N2  . 9F2 F 3 .   ? 28.963  -13.247 -6.995  1.00 34.83  ?  502 9F2 A N2  1 
HETATM 3647 N N3  . 9F2 F 3 .   ? 30.167  -13.742 -7.549  1.00 38.32  ?  502 9F2 A N3  1 
HETATM 3648 C C8  . 9F2 F 3 .   ? 30.131  -14.824 -8.541  1.00 39.76  ?  502 9F2 A C8  1 
HETATM 3649 C C9  . 9F2 F 3 .   ? 35.443  -11.425 -9.487  1.00 50.45  ?  502 9F2 A C9  1 
HETATM 3650 N N4  . 9F2 F 3 .   ? 35.774  -10.173 -10.086 1.00 51.14  ?  502 9F2 A N4  1 
HETATM 3651 C C10 . 9F2 F 3 .   ? 36.468  -9.866  -11.222 1.00 56.94  ?  502 9F2 A C10 1 
HETATM 3652 O O3  . 9F2 F 3 .   ? 37.591  -10.084 -11.602 1.00 66.56  ?  502 9F2 A O3  1 
HETATM 3653 C C11 . 9F2 F 3 .   ? 35.127  -9.458  -11.824 1.00 54.21  ?  502 9F2 A C11 1 
HETATM 3654 N N5  . 9F2 F 3 .   ? 34.597  -8.620  -12.860 1.00 55.33  ?  502 9F2 A N5  1 
HETATM 3655 C C12 . 9F2 F 3 .   ? 33.859  -7.495  -12.607 1.00 52.24  ?  502 9F2 A C12 1 
HETATM 3656 O O4  . 9F2 F 3 .   ? 34.117  -6.780  -11.638 1.00 51.30  ?  502 9F2 A O4  1 
HETATM 3657 C C13 . 9F2 F 3 .   ? 32.834  -6.933  -13.602 1.00 52.72  ?  502 9F2 A C13 1 
HETATM 3658 N N6  . 9F2 F 3 .   ? 33.025  -6.731  -14.867 1.00 56.85  ?  502 9F2 A N6  1 
HETATM 3659 O O5  . 9F2 F 3 .   ? 34.377  -6.812  -15.248 1.00 62.34  ?  502 9F2 A O5  1 
HETATM 3660 C C14 . 9F2 F 3 .   ? 34.518  -6.310  -16.582 1.00 60.72  ?  502 9F2 A C14 1 
HETATM 3661 C C15 . 9F2 F 3 .   ? 31.460  -6.726  -13.112 1.00 48.19  ?  502 9F2 A C15 1 
HETATM 3662 C C16 . 9F2 F 3 .   ? 31.022  -6.870  -11.788 1.00 46.31  ?  502 9F2 A C16 1 
HETATM 3663 S S3  . 9F2 F 3 .   ? 29.372  -6.525  -11.668 1.00 43.89  ?  502 9F2 A S3  1 
HETATM 3664 C C17 . 9F2 F 3 .   ? 29.225  -6.215  -13.320 1.00 49.66  ?  502 9F2 A C17 1 
HETATM 3665 N N7  . 9F2 F 3 .   ? 28.066  -5.878  -13.878 1.00 51.06  ?  502 9F2 A N7  1 
HETATM 3666 N N8  . 9F2 F 3 .   ? 30.410  -6.347  -13.983 1.00 45.43  ?  502 9F2 A N8  1 
HETATM 3667 C C18 . 9F2 F 3 .   ? 36.198  -12.682 -9.939  1.00 53.57  ?  502 9F2 A C18 1 
HETATM 3668 O O6  . 9F2 F 3 .   ? 35.700  -13.784 -9.667  1.00 45.51  ?  502 9F2 A O6  1 
HETATM 3669 O O7  . 9F2 F 3 .   ? 37.281  -12.507 -10.501 1.00 55.22  -1 502 9F2 A O7  1 
HETATM 3670 C C1  . 9F2 G 3 .   ? 28.139  -10.241 -9.371  1.00 32.40  ?  503 9F2 A C1  1 
HETATM 3671 S S1  . 9F2 G 3 .   ? 29.891  -10.208 -9.126  1.00 28.95  ?  503 9F2 A S1  1 
HETATM 3672 C C2  . 9F2 G 3 .   ? 29.918  -9.030  -7.749  1.00 28.15  ?  503 9F2 A C2  1 
HETATM 3673 C C3  . 9F2 G 3 .   ? 29.005  -7.834  -7.857  1.00 27.43  ?  503 9F2 A C3  1 
HETATM 3674 C C4  . 9F2 G 3 .   ? 29.484  -6.637  -7.073  1.00 28.02  ?  503 9F2 A C4  1 
HETATM 3675 S S2  . 9F2 G 3 .   ? 30.210  -5.428  -8.193  1.00 31.27  ?  503 9F2 A S2  1 
HETATM 3676 C C5  . 9F2 G 3 .   ? 31.969  -5.558  -8.066  1.00 29.39  ?  503 9F2 A C5  1 
HETATM 3677 N N1  . 9F2 G 3 .   ? 32.570  -6.467  -7.220  1.00 26.81  ?  503 9F2 A N1  1 
HETATM 3678 C C6  . 9F2 G 3 .   ? 33.951  -6.456  -7.164  1.00 28.90  ?  503 9F2 A C6  1 
HETATM 3679 O O1  . 9F2 G 3 .   ? 34.500  -7.247  -6.366  1.00 29.65  ?  503 9F2 A O1  1 
HETATM 3680 C C7  . 9F2 G 3 .   ? 34.707  -5.574  -7.910  1.00 26.43  ?  503 9F2 A C7  1 
HETATM 3681 O O2  . 9F2 G 3 .   ? 35.929  -5.513  -7.848  1.00 24.75  ?  503 9F2 A O2  1 
HETATM 3682 N N2  . 9F2 G 3 .   ? 34.088  -4.697  -8.737  1.00 29.12  ?  503 9F2 A N2  1 
HETATM 3683 N N3  . 9F2 G 3 .   ? 32.686  -4.678  -8.820  1.00 29.36  ?  503 9F2 A N3  1 
HETATM 3684 C C8  . 9F2 G 3 .   ? 32.045  -3.722  -9.737  1.00 31.00  ?  503 9F2 A C8  1 
HETATM 3685 C C9  . 9F2 G 3 .   ? 27.843  -7.831  -8.548  1.00 27.02  ?  503 9F2 A C9  1 
HETATM 3686 N N4  . 9F2 G 3 .   ? 27.433  -8.990  -9.237  1.00 29.76  ?  503 9F2 A N4  1 
HETATM 3687 C C10 . 9F2 G 3 .   ? 26.743  -9.167  -10.409 1.00 33.02  ?  503 9F2 A C10 1 
HETATM 3688 O O3  . 9F2 G 3 .   ? 25.999  -8.475  -11.050 1.00 34.67  ?  503 9F2 A O3  1 
HETATM 3689 C C11 . 9F2 G 3 .   ? 27.547  -10.425 -10.675 1.00 34.55  ?  503 9F2 A C11 1 
HETATM 3690 N N5  . 9F2 G 3 .   ? 27.353  -11.653 -11.377 1.00 34.69  ?  503 9F2 A N5  1 
HETATM 3691 C C12 . 9F2 G 3 .   ? 28.037  -12.748 -11.199 1.00 35.46  ?  503 9F2 A C12 1 
HETATM 3692 O O4  . 9F2 G 3 .   ? 27.936  -13.448 -10.191 1.00 35.24  ?  503 9F2 A O4  1 
HETATM 3693 C C13 . 9F2 G 3 .   ? 28.622  -13.328 -12.477 1.00 34.74  ?  503 9F2 A C13 1 
HETATM 3694 N N6  . 9F2 G 3 .   ? 29.894  -13.475 -12.574 1.00 36.73  ?  503 9F2 A N6  1 
HETATM 3695 O O5  . 9F2 G 3 .   ? 30.570  -12.806 -11.534 1.00 47.46  ?  503 9F2 A O5  1 
HETATM 3696 C C14 . 9F2 G 3 .   ? 31.988  -12.842 -11.765 1.00 44.38  ?  503 9F2 A C14 1 
HETATM 3697 C C15 . 9F2 G 3 .   ? 27.796  -13.797 -13.590 1.00 29.42  ?  503 9F2 A C15 1 
HETATM 3698 C C16 . 9F2 G 3 .   ? 26.409  -13.765 -13.615 1.00 28.64  ?  503 9F2 A C16 1 
HETATM 3699 S S3  . 9F2 G 3 .   ? 25.843  -14.403 -15.053 1.00 26.03  ?  503 9F2 A S3  1 
HETATM 3700 C C17 . 9F2 G 3 .   ? 27.415  -14.748 -15.659 1.00 27.53  ?  503 9F2 A C17 1 
HETATM 3701 N N7  . 9F2 G 3 .   ? 27.704  -15.301 -16.833 1.00 25.21  ?  503 9F2 A N7  1 
HETATM 3702 N N8  . 9F2 G 3 .   ? 28.372  -14.386 -14.749 1.00 27.71  ?  503 9F2 A N8  1 
HETATM 3703 C C18 . 9F2 G 3 .   ? 26.936  -6.598  -8.640  1.00 25.74  ?  503 9F2 A C18 1 
HETATM 3704 O O6  . 9F2 G 3 .   ? 25.755  -6.801  -8.816  1.00 23.80  ?  503 9F2 A O6  1 
HETATM 3705 O O7  . 9F2 G 3 .   ? 27.452  -5.490  -8.624  1.00 25.36  -1 503 9F2 A O7  1 
HETATM 3706 C C1  . PEG H 4 .   ? -21.223 17.110  -31.317 1.00 32.68  ?  501 PEG D C1  1 
HETATM 3707 O O1  . PEG H 4 .   ? -20.035 17.488  -30.675 1.00 30.95  ?  501 PEG D O1  1 
HETATM 3708 C C2  . PEG H 4 .   ? -21.126 15.736  -31.919 1.00 31.03  ?  501 PEG D C2  1 
HETATM 3709 O O2  . PEG H 4 .   ? -22.296 14.980  -31.640 1.00 28.22  ?  501 PEG D O2  1 
HETATM 3710 C C3  . PEG H 4 .   ? -23.442 15.483  -32.330 1.00 27.11  ?  501 PEG D C3  1 
HETATM 3711 C C4  . PEG H 4 .   ? -24.635 14.589  -32.222 1.00 26.15  ?  501 PEG D C4  1 
HETATM 3712 O O4  . PEG H 4 .   ? -24.539 13.371  -32.980 1.00 32.73  ?  501 PEG D O4  1 
HETATM 3713 C C1  . 9F2 I 3 .   ? -15.324 27.509  -8.287  0.90 47.40  ?  502 9F2 D C1  1 
HETATM 3714 S S1  . 9F2 I 3 .   ? -14.490 28.725  -7.304  0.90 44.01  ?  502 9F2 D S1  1 
HETATM 3715 C C2  . 9F2 I 3 .   ? -12.922 28.586  -8.206  0.90 43.19  ?  502 9F2 D C2  1 
HETATM 3716 C C3  . 9F2 I 3 .   ? -12.384 27.177  -8.332  0.90 43.35  ?  502 9F2 D C3  1 
HETATM 3717 C C4  . 9F2 I 3 .   ? -10.898 27.011  -8.295  0.90 47.94  ?  502 9F2 D C4  1 
HETATM 3718 S S2  . 9F2 I 3 .   ? -10.250 26.319  -6.738  0.90 54.46  ?  502 9F2 D S2  1 
HETATM 3719 C C5  . 9F2 I 3 .   ? -8.714  27.088  -6.290  0.90 54.73  ?  502 9F2 D C5  1 
HETATM 3720 N N1  . 9F2 I 3 .   ? -8.329  28.162  -7.002  0.90 52.82  ?  502 9F2 D N1  1 
HETATM 3721 C C6  . 9F2 I 3 .   ? -7.144  28.780  -6.679  0.90 54.15  ?  502 9F2 D C6  1 
HETATM 3722 O O1  . 9F2 I 3 .   ? -6.857  29.780  -7.369  0.90 49.88  ?  502 9F2 D O1  1 
HETATM 3723 C C7  . 9F2 I 3 .   ? -6.338  28.305  -5.659  0.90 53.69  ?  502 9F2 D C7  1 
HETATM 3724 O O2  . 9F2 I 3 .   ? -5.274  28.842  -5.355  0.90 57.45  ?  502 9F2 D O2  1 
HETATM 3725 N N2  . 9F2 I 3 .   ? -6.733  27.197  -4.955  0.90 51.05  ?  502 9F2 D N2  1 
HETATM 3726 N N3  . 9F2 I 3 .   ? -7.949  26.553  -5.289  0.90 51.42  ?  502 9F2 D N3  1 
HETATM 3727 C C8  . 9F2 I 3 .   ? -8.376  25.368  -4.533  0.90 50.45  ?  502 9F2 D C8  1 
HETATM 3728 C C9  . 9F2 I 3 .   ? -13.206 26.130  -8.542  0.90 43.29  ?  502 9F2 D C9  1 
HETATM 3729 N N4  . 9F2 I 3 .   ? -14.580 26.307  -8.584  0.90 44.39  ?  502 9F2 D N4  1 
HETATM 3730 C C10 . 9F2 I 3 .   ? -15.632 25.470  -8.329  0.90 43.43  ?  502 9F2 D C10 1 
HETATM 3731 O O3  . 9F2 I 3 .   ? -15.720 24.278  -8.272  0.90 32.28  ?  502 9F2 D O3  1 
HETATM 3732 C C11 . 9F2 I 3 .   ? -16.521 26.659  -7.986  0.90 49.50  ?  502 9F2 D C11 1 
HETATM 3733 N N5  . 9F2 I 3 .   ? -17.763 27.308  -8.244  0.90 57.12  ?  502 9F2 D N5  1 
HETATM 3734 C C12 . 9F2 I 3 .   ? -18.269 28.119  -7.288  0.90 55.65  ?  502 9F2 D C12 1 
HETATM 3735 O O4  . 9F2 I 3 .   ? -18.236 29.340  -7.410  0.90 47.97  ?  502 9F2 D O4  1 
HETATM 3736 C C13 . 9F2 I 3 .   ? -18.808 27.551  -6.005  0.90 65.30  ?  502 9F2 D C13 1 
HETATM 3737 N N6  . 9F2 I 3 .   ? -19.738 26.671  -6.135  0.90 61.60  ?  502 9F2 D N6  1 
HETATM 3738 O O5  . 9F2 I 3 .   ? -20.256 26.701  -7.444  0.90 53.26  ?  502 9F2 D O5  1 
HETATM 3739 C C14 . 9F2 I 3 .   ? -21.285 25.719  -7.589  0.90 47.50  ?  502 9F2 D C14 1 
HETATM 3740 C C15 . 9F2 I 3 .   ? -18.275 27.843  -4.673  0.90 78.97  ?  502 9F2 D C15 1 
HETATM 3741 C C16 . 9F2 I 3 .   ? -17.109 28.550  -4.411  0.90 88.86  ?  502 9F2 D C16 1 
HETATM 3742 S S3  . 9F2 I 3 .   ? -16.851 28.581  -2.763  0.90 103.60 ?  502 9F2 D S3  1 
HETATM 3743 C C17 . 9F2 I 3 .   ? -18.197 27.662  -2.378  0.90 85.22  ?  502 9F2 D C17 1 
HETATM 3744 N N7  . 9F2 I 3 .   ? -18.540 27.328  -1.137  0.90 74.42  ?  502 9F2 D N7  1 
HETATM 3745 N N8  . 9F2 I 3 .   ? -18.874 27.309  -3.512  0.90 84.09  ?  502 9F2 D N8  1 
HETATM 3746 C C18 . 9F2 I 3 .   ? -12.741 24.700  -8.800  0.90 44.04  ?  502 9F2 D C18 1 
HETATM 3747 O O6  . 9F2 I 3 .   ? -11.901 24.228  -8.039  0.90 39.12  ?  502 9F2 D O6  1 
HETATM 3748 O O7  . 9F2 I 3 .   ? -13.145 24.185  -9.854  0.90 46.44  -1 502 9F2 D O7  1 
HETATM 3749 O O   . HOH J 5 .   ? 5.193   3.834   5.988   1.00 15.58  ?  601 HOH A O   1 
HETATM 3750 O O   . HOH J 5 .   ? 32.907  -12.316 -4.431  1.00 56.70  ?  602 HOH A O   1 
HETATM 3751 O O   . HOH J 5 .   ? 26.419  -13.935 21.934  1.00 31.43  ?  603 HOH A O   1 
HETATM 3752 O O   . HOH J 5 .   ? 21.631  0.988   13.772  1.00 29.07  ?  604 HOH A O   1 
HETATM 3753 O O   . HOH J 5 .   ? -6.285  -6.472  15.518  1.00 44.92  ?  605 HOH A O   1 
HETATM 3754 O O   . HOH J 5 .   ? 8.219   -6.475  4.558   1.00 13.22  ?  606 HOH A O   1 
HETATM 3755 O O   . HOH J 5 .   ? 4.461   -4.972  4.102   1.00 25.30  ?  607 HOH A O   1 
HETATM 3756 O O   . HOH J 5 .   ? 36.113  -12.199 19.798  1.00 31.86  ?  608 HOH A O   1 
HETATM 3757 O O   . HOH J 5 .   ? 7.659   -25.097 -12.461 1.00 35.30  ?  609 HOH A O   1 
HETATM 3758 O O   . HOH J 5 .   ? 6.848   -3.202  10.238  1.00 30.18  ?  610 HOH A O   1 
HETATM 3759 O O   . HOH J 5 .   ? 4.495   -17.231 -2.567  1.00 24.07  ?  611 HOH A O   1 
HETATM 3760 O O   . HOH J 5 .   ? 5.397   -7.298  4.916   1.00 26.98  ?  612 HOH A O   1 
HETATM 3761 O O   . HOH J 5 .   ? 19.067  -13.369 -8.617  1.00 40.69  ?  613 HOH A O   1 
HETATM 3762 O O   . HOH J 5 .   ? 28.280  -2.201  4.018   1.00 25.46  ?  614 HOH A O   1 
HETATM 3763 O O   . HOH J 5 .   ? 29.085  -6.228  3.494   1.00 14.06  ?  615 HOH A O   1 
HETATM 3764 O O   . HOH J 5 .   ? 19.466  4.619   10.308  1.00 45.02  ?  616 HOH A O   1 
HETATM 3765 O O   . HOH J 5 .   ? 31.149  -10.627 -1.763  1.00 32.68  ?  617 HOH A O   1 
HETATM 3766 O O   . HOH J 5 .   ? 21.906  -11.830 -6.695  1.00 14.14  ?  618 HOH A O   1 
HETATM 3767 O O   . HOH J 5 .   ? 32.774  -8.323  -4.836  1.00 38.50  ?  619 HOH A O   1 
HETATM 3768 O O   . HOH J 5 .   ? 5.753   -17.066 -7.534  1.00 22.11  ?  620 HOH A O   1 
HETATM 3769 O O   . HOH J 5 .   ? -1.658  -5.617  14.871  1.00 23.97  ?  621 HOH A O   1 
HETATM 3770 O O   . HOH J 5 .   ? 10.738  -11.387 -7.195  1.00 41.57  ?  622 HOH A O   1 
HETATM 3771 O O   . HOH J 5 .   ? 29.774  -12.365 1.045   1.00 10.27  ?  623 HOH A O   1 
HETATM 3772 O O   . HOH J 5 .   ? 8.972   -23.733 -3.803  1.00 22.86  ?  624 HOH A O   1 
HETATM 3773 O O   . HOH J 5 .   ? 23.731  -21.476 -1.840  1.00 25.75  ?  625 HOH A O   1 
HETATM 3774 O O   . HOH J 5 .   ? 6.353   -23.204 20.837  1.00 13.62  ?  626 HOH A O   1 
HETATM 3775 O O   . HOH J 5 .   ? 21.773  -12.606 21.908  1.00 34.61  ?  627 HOH A O   1 
HETATM 3776 O O   . HOH J 5 .   ? 13.100  -21.202 1.617   1.00 17.21  ?  628 HOH A O   1 
HETATM 3777 O O   . HOH J 5 .   ? 9.796   -2.651  -1.078  1.00 25.44  ?  629 HOH A O   1 
HETATM 3778 O O   . HOH J 5 .   ? 35.553  -4.594  17.620  1.00 49.17  ?  630 HOH A O   1 
HETATM 3779 O O   . HOH J 5 .   ? 26.710  -0.424  5.256   1.00 26.35  ?  631 HOH A O   1 
HETATM 3780 O O   . HOH J 5 .   ? 28.635  -0.708  11.463  1.00 26.86  ?  632 HOH A O   1 
HETATM 3781 O O   . HOH J 5 .   ? 4.182   -14.353 22.184  1.00 10.57  ?  633 HOH A O   1 
HETATM 3782 O O   . HOH J 5 .   ? 20.182  -20.968 2.089   1.00 21.12  ?  634 HOH A O   1 
HETATM 3783 O O   . HOH J 5 .   ? -2.250  -8.178  19.380  1.00 30.70  ?  635 HOH A O   1 
HETATM 3784 O O   . HOH J 5 .   ? 16.965  -18.540 -3.061  1.00 12.63  ?  636 HOH A O   1 
HETATM 3785 O O   . HOH J 5 .   ? 18.862  -13.096 23.346  1.00 18.95  ?  637 HOH A O   1 
HETATM 3786 O O   . HOH J 5 .   ? 22.145  4.504   6.718   1.00 32.32  ?  638 HOH A O   1 
HETATM 3787 O O   . HOH J 5 .   ? 16.029  -20.912 5.030   1.00 21.26  ?  639 HOH A O   1 
HETATM 3788 O O   . HOH J 5 .   ? 18.262  1.964   -1.703  1.00 9.66   ?  640 HOH A O   1 
HETATM 3789 O O   . HOH J 5 .   ? 13.850  -16.700 11.961  1.00 8.96   ?  641 HOH A O   1 
HETATM 3790 O O   . HOH J 5 .   ? -9.432  -8.245  3.528   1.00 23.89  ?  642 HOH A O   1 
HETATM 3791 O O   . HOH J 5 .   ? 9.463   -13.054 -6.066  1.00 12.36  ?  643 HOH A O   1 
HETATM 3792 O O   . HOH J 5 .   ? 22.304  -17.588 18.697  1.00 26.89  ?  644 HOH A O   1 
HETATM 3793 O O   . HOH J 5 .   ? 29.654  -15.524 19.694  1.00 34.27  ?  645 HOH A O   1 
HETATM 3794 O O   . HOH J 5 .   ? 22.831  -5.262  -4.186  1.00 14.26  ?  646 HOH A O   1 
HETATM 3795 O O   . HOH J 5 .   ? 19.371  -1.565  4.008   1.00 10.63  ?  647 HOH A O   1 
HETATM 3796 O O   . HOH J 5 .   ? 19.670  -1.296  -4.257  1.00 32.63  ?  648 HOH A O   1 
HETATM 3797 O O   . HOH J 5 .   ? 13.766  -11.660 23.372  1.00 35.48  ?  649 HOH A O   1 
HETATM 3798 O O   . HOH J 5 .   ? 11.483  -21.740 4.853   1.00 24.03  ?  650 HOH A O   1 
HETATM 3799 O O   . HOH J 5 .   ? 22.886  -6.419  26.204  1.00 20.04  ?  651 HOH A O   1 
HETATM 3800 O O   . HOH J 5 .   ? 25.130  -11.483 21.426  1.00 24.82  ?  652 HOH A O   1 
HETATM 3801 O O   . HOH J 5 .   ? 6.847   -20.702 -12.659 1.00 29.96  ?  653 HOH A O   1 
HETATM 3802 O O   . HOH J 5 .   ? 33.618  -11.369 16.423  1.00 36.55  ?  654 HOH A O   1 
HETATM 3803 O O   . HOH J 5 .   ? 31.164  -16.028 8.635   1.00 16.80  ?  655 HOH A O   1 
HETATM 3804 O O   . HOH J 5 .   ? 3.775   -4.182  19.761  1.00 30.12  ?  656 HOH A O   1 
HETATM 3805 O O   . HOH J 5 .   ? 9.693   3.051   -0.891  1.00 24.55  ?  657 HOH A O   1 
HETATM 3806 O O   . HOH J 5 .   ? 22.516  -19.521 -4.461  1.00 16.83  ?  658 HOH A O   1 
HETATM 3807 O O   . HOH J 5 .   ? 24.267  -18.784 12.875  1.00 29.52  ?  659 HOH A O   1 
HETATM 3808 O O   . HOH J 5 .   ? 22.709  0.860   -6.143  1.00 30.95  ?  660 HOH A O   1 
HETATM 3809 O O   . HOH J 5 .   ? 10.017  -3.925  18.837  1.00 29.97  ?  661 HOH A O   1 
HETATM 3810 O O   . HOH J 5 .   ? 23.870  1.302   7.908   1.00 28.01  ?  662 HOH A O   1 
HETATM 3811 O O   . HOH J 5 .   ? 6.439   -10.627 5.245   1.00 39.18  ?  663 HOH A O   1 
HETATM 3812 O O   . HOH J 5 .   ? 7.559   -8.911  23.011  1.00 22.65  ?  664 HOH A O   1 
HETATM 3813 O O   . HOH J 5 .   ? 3.402   -23.135 -10.446 1.00 35.32  ?  665 HOH A O   1 
HETATM 3814 O O   . HOH J 5 .   ? 10.797  -15.639 -9.807  1.00 27.71  ?  666 HOH A O   1 
HETATM 3815 O O   . HOH J 5 .   ? 10.355  -22.109 -12.247 1.00 22.89  ?  667 HOH A O   1 
HETATM 3816 O O   . HOH J 5 .   ? 23.191  -20.070 1.028   1.00 31.22  ?  668 HOH A O   1 
HETATM 3817 O O   . HOH J 5 .   ? 28.594  -16.101 17.481  1.00 31.21  ?  669 HOH A O   1 
HETATM 3818 O O   . HOH J 5 .   ? 18.654  -5.759  -5.747  1.00 20.89  ?  670 HOH A O   1 
HETATM 3819 O O   . HOH J 5 .   ? 4.768   -12.410 -1.785  1.00 27.69  ?  671 HOH A O   1 
HETATM 3820 O O   . HOH J 5 .   ? 16.216  0.179   -2.009  1.00 13.50  ?  672 HOH A O   1 
HETATM 3821 O O   . HOH J 5 .   ? -5.095  -12.097 3.202   1.00 12.52  ?  673 HOH A O   1 
HETATM 3822 O O   . HOH J 5 .   ? 31.250  -12.395 10.690  1.00 31.92  ?  674 HOH A O   1 
HETATM 3823 O O   . HOH J 5 .   ? 32.102  -4.285  8.413   1.00 43.83  ?  675 HOH A O   1 
HETATM 3824 O O   . HOH J 5 .   ? 33.801  -7.748  19.581  1.00 35.71  ?  676 HOH A O   1 
HETATM 3825 O O   . HOH J 5 .   ? 29.039  -15.317 -1.394  1.00 16.68  ?  677 HOH A O   1 
HETATM 3826 O O   . HOH J 5 .   ? 8.134   3.184   8.769   1.00 38.94  ?  678 HOH A O   1 
HETATM 3827 O O   . HOH J 5 .   ? 17.442  -13.422 -11.162 1.00 53.55  ?  679 HOH A O   1 
HETATM 3828 O O   . HOH J 5 .   ? 26.964  2.510   -0.151  1.00 39.36  ?  680 HOH A O   1 
HETATM 3829 O O   . HOH J 5 .   ? -8.879  -10.934 4.072   1.00 15.12  ?  681 HOH A O   1 
HETATM 3830 O O   . HOH J 5 .   ? 5.867   -20.603 21.186  1.00 15.80  ?  682 HOH A O   1 
HETATM 3831 O O   . HOH J 5 .   ? -5.187  -8.674  16.690  1.00 35.81  ?  683 HOH A O   1 
HETATM 3832 O O   . HOH J 5 .   ? 16.339  -11.960 23.968  1.00 21.08  ?  684 HOH A O   1 
HETATM 3833 O O   . HOH J 5 .   ? 33.217  -8.256  0.696   1.00 33.50  ?  685 HOH A O   1 
HETATM 3834 O O   . HOH J 5 .   ? 11.252  5.165   8.540   1.00 25.60  ?  686 HOH A O   1 
HETATM 3835 O O   . HOH J 5 .   ? 16.526  -3.935  -1.866  1.00 17.59  ?  687 HOH A O   1 
HETATM 3836 O O   . HOH J 5 .   ? 3.773   -18.956 21.995  1.00 15.42  ?  688 HOH A O   1 
HETATM 3837 O O   . HOH J 5 .   ? 9.312   5.314   0.451   1.00 28.06  ?  689 HOH A O   1 
HETATM 3838 O O   . HOH J 5 .   ? 3.944   -22.789 -1.362  1.00 37.15  ?  690 HOH A O   1 
HETATM 3839 O O   . HOH J 5 .   ? 3.138   -15.019 0.899   1.00 18.61  ?  691 HOH A O   1 
HETATM 3840 O O   . HOH J 5 .   ? 26.079  -12.994 -7.482  1.00 33.64  ?  692 HOH A O   1 
HETATM 3841 O O   . HOH J 5 .   ? 12.679  -19.560 -1.208  1.00 9.49   ?  693 HOH A O   1 
HETATM 3842 O O   . HOH J 5 .   ? 30.991  -13.526 -1.153  1.00 31.53  ?  694 HOH A O   1 
HETATM 3843 O O   . HOH J 5 .   ? 23.357  -8.242  -12.194 1.00 58.85  ?  695 HOH A O   1 
HETATM 3844 O O   . HOH J 5 .   ? 10.962  -4.636  1.470   1.00 16.19  ?  696 HOH A O   1 
HETATM 3845 O O   . HOH J 5 .   ? 2.772   -20.160 -4.748  1.00 32.18  ?  697 HOH A O   1 
HETATM 3846 O O   . HOH J 5 .   ? 1.414   -4.903  21.135  1.00 35.72  ?  698 HOH A O   1 
HETATM 3847 O O   . HOH J 5 .   ? 31.618  -7.250  12.287  1.00 33.36  ?  699 HOH A O   1 
HETATM 3848 O O   . HOH J 5 .   ? 30.298  -2.090  18.797  1.00 33.67  ?  700 HOH A O   1 
HETATM 3849 O O   . HOH J 5 .   ? 31.096  -13.480 -15.258 1.00 42.57  ?  701 HOH A O   1 
HETATM 3850 O O   . HOH J 5 .   ? 10.867  -23.892 16.911  1.00 16.52  ?  702 HOH A O   1 
HETATM 3851 O O   . HOH J 5 .   ? 24.553  -15.558 19.882  1.00 24.55  ?  703 HOH A O   1 
HETATM 3852 O O   . HOH J 5 .   ? 19.711  -19.367 7.353   1.00 16.98  ?  704 HOH A O   1 
HETATM 3853 O O   . HOH J 5 .   ? 1.950   -7.123  16.557  1.00 15.80  ?  705 HOH A O   1 
HETATM 3854 O O   . HOH J 5 .   ? 15.529  -15.497 -9.830  1.00 31.37  ?  706 HOH A O   1 
HETATM 3855 O O   . HOH J 5 .   ? 6.972   -24.297 9.100   1.00 21.94  ?  707 HOH A O   1 
HETATM 3856 O O   . HOH J 5 .   ? 10.198  -9.048  22.549  1.00 38.98  ?  708 HOH A O   1 
HETATM 3857 O O   . HOH J 5 .   ? 28.194  -3.944  0.706   1.00 20.93  ?  709 HOH A O   1 
HETATM 3858 O O   . HOH J 5 .   ? 29.317  -13.333 16.560  1.00 16.64  ?  710 HOH A O   1 
HETATM 3859 O O   . HOH J 5 .   ? 33.727  -10.959 -14.451 1.00 52.34  ?  711 HOH A O   1 
HETATM 3860 O O   . HOH J 5 .   ? 22.616  1.748   11.195  1.00 23.27  ?  712 HOH A O   1 
HETATM 3861 O O   . HOH J 5 .   ? 32.874  -6.931  22.633  1.00 25.76  ?  713 HOH A O   1 
HETATM 3862 O O   . HOH J 5 .   ? 10.718  -7.702  -6.013  1.00 47.32  ?  714 HOH A O   1 
HETATM 3863 O O   . HOH J 5 .   ? 24.163  1.125   17.855  1.00 42.40  ?  715 HOH A O   1 
HETATM 3864 O O   . HOH J 5 .   ? 12.342  -23.027 13.708  1.00 21.82  ?  716 HOH A O   1 
HETATM 3865 O O   . HOH J 5 .   ? 10.011  -27.471 2.103   1.00 51.66  ?  717 HOH A O   1 
HETATM 3866 O O   . HOH J 5 .   ? 30.469  -16.243 -13.643 1.00 39.16  ?  718 HOH A O   1 
HETATM 3867 O O   . HOH J 5 .   ? 5.629   -26.135 -9.659  1.00 27.43  ?  719 HOH A O   1 
HETATM 3868 O O   . HOH J 5 .   ? 31.590  -9.007  3.851   1.00 24.82  ?  720 HOH A O   1 
HETATM 3869 O O   . HOH J 5 .   ? 5.250   -24.461 -12.774 1.00 52.16  ?  721 HOH A O   1 
HETATM 3870 O O   . HOH J 5 .   ? -8.890  -6.012  11.970  1.00 33.90  ?  722 HOH A O   1 
HETATM 3871 O O   . HOH J 5 .   ? 9.870   -3.836  -4.284  1.00 26.59  ?  723 HOH A O   1 
HETATM 3872 O O   . HOH J 5 .   ? 32.468  -4.037  5.032   1.00 35.91  ?  724 HOH A O   1 
HETATM 3873 O O   . HOH J 5 .   ? 32.814  -17.948 -2.709  1.00 45.77  ?  725 HOH A O   1 
HETATM 3874 O O   . HOH J 5 .   ? 32.454  -17.358 19.823  1.00 28.12  ?  726 HOH A O   1 
HETATM 3875 O O   . HOH J 5 .   ? 7.907   -24.318 4.223   1.00 46.16  ?  727 HOH A O   1 
HETATM 3876 O O   . HOH J 5 .   ? 17.381  -7.498  -7.889  1.00 34.66  ?  728 HOH A O   1 
HETATM 3877 O O   . HOH J 5 .   ? 26.066  8.035   -1.361  1.00 34.86  ?  729 HOH A O   1 
HETATM 3878 O O   . HOH J 5 .   ? 8.618   -23.875 10.897  1.00 40.00  ?  730 HOH A O   1 
HETATM 3879 O O   . HOH J 5 .   ? 14.951  6.872   3.675   1.00 38.64  ?  731 HOH A O   1 
HETATM 3880 O O   . HOH J 5 .   ? 37.011  -9.853  20.496  1.00 32.61  ?  732 HOH A O   1 
HETATM 3881 O O   . HOH J 5 .   ? 29.019  -9.859  -13.455 1.00 34.24  ?  733 HOH A O   1 
HETATM 3882 O O   . HOH J 5 .   ? -5.773  -2.097  10.362  1.00 42.87  ?  734 HOH A O   1 
HETATM 3883 O O   . HOH J 5 .   ? 16.628  0.293   -4.633  1.00 24.38  ?  735 HOH A O   1 
HETATM 3884 O O   . HOH J 5 .   ? -11.122 -5.609  0.156   1.00 41.45  ?  736 HOH A O   1 
HETATM 3885 O O   . HOH J 5 .   ? 0.829   -17.403 4.608   1.00 29.02  ?  737 HOH A O   1 
HETATM 3886 O O   . HOH J 5 .   ? 12.335  -11.941 -9.098  1.00 42.36  ?  738 HOH A O   1 
HETATM 3887 O O   . HOH J 5 .   ? 23.552  -20.270 4.569   1.00 38.15  ?  739 HOH A O   1 
HETATM 3888 O O   . HOH J 5 .   ? 31.022  -6.194  9.905   1.00 25.78  ?  740 HOH A O   1 
HETATM 3889 O O   . HOH J 5 .   ? 34.368  -10.302 13.303  1.00 44.87  ?  741 HOH A O   1 
HETATM 3890 O O   . HOH J 5 .   ? 8.051   -7.409  -3.798  1.00 36.71  ?  742 HOH A O   1 
HETATM 3891 O O   . HOH J 5 .   ? 9.622   -24.143 7.815   1.00 37.76  ?  743 HOH A O   1 
HETATM 3892 O O   . HOH J 5 .   ? 3.846   -16.983 -5.443  1.00 35.72  ?  744 HOH A O   1 
HETATM 3893 O O   . HOH J 5 .   ? 12.423  -24.846 0.707   1.00 32.51  ?  745 HOH A O   1 
HETATM 3894 O O   . HOH J 5 .   ? 24.366  -3.071  -6.045  1.00 39.40  ?  746 HOH A O   1 
HETATM 3895 O O   . HOH J 5 .   ? 28.301  -17.394 15.094  1.00 29.46  ?  747 HOH A O   1 
HETATM 3896 O O   . HOH J 5 .   ? 25.037  2.767   10.845  1.00 44.31  ?  748 HOH A O   1 
HETATM 3897 O O   . HOH J 5 .   ? 29.460  -14.471 27.105  1.00 39.98  ?  749 HOH A O   1 
HETATM 3898 O O   . HOH J 5 .   ? 16.195  -18.727 -9.459  1.00 21.82  ?  750 HOH A O   1 
HETATM 3899 O O   . HOH J 5 .   ? 12.934  -14.531 -9.930  1.00 40.25  ?  751 HOH A O   1 
HETATM 3900 O O   . HOH J 5 .   ? 14.011  5.609   8.051   1.00 23.33  ?  752 HOH A O   1 
HETATM 3901 O O   . HOH J 5 .   ? 7.582   5.780   7.640   1.00 45.82  ?  753 HOH A O   1 
HETATM 3902 O O   . HOH J 5 .   ? 19.711  -15.069 -11.089 1.00 39.71  ?  754 HOH A O   1 
HETATM 3903 O O   . HOH J 5 .   ? 11.185  1.463   -5.899  1.00 40.82  ?  755 HOH A O   1 
HETATM 3904 O O   . HOH J 5 .   ? 2.391   -18.830 -1.489  1.00 40.75  ?  756 HOH A O   1 
HETATM 3905 O O   . HOH J 5 .   ? 32.517  -11.334 2.823   1.00 36.41  ?  757 HOH A O   1 
HETATM 3906 O O   . HOH J 5 .   ? 21.644  -7.681  -7.768  1.00 35.19  ?  758 HOH A O   1 
HETATM 3907 O O   . HOH J 5 .   ? 21.344  -12.083 26.336  1.00 33.88  ?  759 HOH A O   1 
HETATM 3908 O O   . HOH J 5 .   ? 10.088  -23.984 4.812   1.00 37.63  ?  760 HOH A O   1 
HETATM 3909 O O   . HOH J 5 .   ? 2.126   -21.590 -0.903  1.00 44.53  ?  761 HOH A O   1 
HETATM 3910 O O   . HOH J 5 .   ? 21.056  -6.863  -5.555  1.00 25.47  ?  762 HOH A O   1 
HETATM 3911 O O   . HOH J 5 .   ? 36.476  -3.932  14.266  1.00 40.21  ?  763 HOH A O   1 
HETATM 3912 O O   . HOH J 5 .   ? 12.485  -4.734  -7.912  1.00 41.51  ?  764 HOH A O   1 
HETATM 3913 O O   . HOH J 5 .   ? 27.715  1.440   10.114  1.00 38.48  ?  765 HOH A O   1 
HETATM 3914 O O   . HOH J 5 .   ? 13.622  7.180   6.405   1.00 31.41  ?  766 HOH A O   1 
HETATM 3915 O O   . HOH J 5 .   ? 10.055  -0.322  -4.687  1.00 32.71  ?  767 HOH A O   1 
HETATM 3916 O O   . HOH J 5 .   ? 30.642  -7.373  36.727  1.00 32.23  ?  768 HOH A O   1 
HETATM 3917 O O   . HOH J 5 .   ? 2.696   -4.543  15.019  1.00 47.24  ?  769 HOH A O   1 
HETATM 3918 O O   . HOH J 5 .   ? 17.955  -1.786  -2.169  1.00 28.69  ?  770 HOH A O   1 
HETATM 3919 O O   . HOH J 5 .   ? 31.192  -9.912  12.140  1.00 37.39  ?  771 HOH A O   1 
HETATM 3920 O O   . HOH J 5 .   ? 23.785  -19.707 9.618   1.00 35.96  ?  772 HOH A O   1 
HETATM 3921 O O   . HOH J 5 .   ? 2.870   -10.260 1.011   1.00 31.33  ?  773 HOH A O   1 
HETATM 3922 O O   . HOH J 5 .   ? 8.220   -4.127  0.022   1.00 43.57  ?  774 HOH A O   1 
HETATM 3923 O O   . HOH J 5 .   ? 5.720   -23.113 3.107   1.00 41.30  ?  775 HOH A O   1 
HETATM 3924 O O   . HOH J 5 .   ? 11.811  -22.172 7.415   1.00 37.86  ?  776 HOH A O   1 
HETATM 3925 O O   . HOH J 5 .   ? 21.759  -14.516 24.521  1.00 50.82  ?  777 HOH A O   1 
HETATM 3926 O O   . HOH J 5 .   ? 21.252  5.207   9.171   1.00 36.92  ?  778 HOH A O   1 
HETATM 3927 O O   . HOH J 5 .   ? 27.004  -19.538 14.393  1.00 38.85  ?  779 HOH A O   1 
HETATM 3928 O O   . HOH J 5 .   ? 12.292  -7.690  -8.116  1.00 46.31  ?  780 HOH A O   1 
HETATM 3929 O O   . HOH J 5 .   ? 2.432   -22.015 -6.134  1.00 40.94  ?  781 HOH A O   1 
HETATM 3930 O O   . HOH J 5 .   ? 18.643  -21.723 4.119   1.00 41.84  ?  782 HOH A O   1 
HETATM 3931 O O   . HOH J 5 .   ? 21.010  -21.057 5.611   1.00 26.47  ?  783 HOH A O   1 
HETATM 3932 O O   . HOH J 5 .   ? 0.556   -6.044  18.683  1.00 31.12  ?  784 HOH A O   1 
HETATM 3933 O O   . HOH J 5 .   ? 4.469   -24.561 -5.671  1.00 40.35  ?  785 HOH A O   1 
HETATM 3934 O O   . HOH J 5 .   ? -11.756 -1.946  9.134   1.00 41.04  ?  786 HOH A O   1 
HETATM 3935 O O   . HOH J 5 .   ? 4.293   -18.356 -9.343  1.00 38.70  ?  787 HOH A O   1 
HETATM 3936 O O   . HOH J 5 .   ? 14.537  -23.897 14.852  1.00 40.45  ?  788 HOH A O   1 
HETATM 3937 O O   . HOH J 5 .   ? 21.962  7.158   6.465   1.00 35.91  ?  789 HOH A O   1 
HETATM 3938 O O   . HOH J 5 .   ? 28.892  1.264   7.216   1.00 39.93  ?  790 HOH A O   1 
HETATM 3939 O O   . HOH J 5 .   ? 19.635  6.639   12.480  1.00 48.62  ?  791 HOH A O   1 
HETATM 3940 O O   . HOH J 5 .   ? 28.723  -1.573  21.451  1.00 42.85  ?  792 HOH A O   1 
HETATM 3941 O O   . HOH K 5 .   ? -13.386 6.557   -4.160  1.00 20.52  ?  501 HOH C O   1 
HETATM 3942 O O   . HOH K 5 .   ? 4.500   15.607  -23.864 1.00 34.39  ?  502 HOH C O   1 
HETATM 3943 O O   . HOH K 5 .   ? -16.645 -3.454  -5.913  1.00 19.97  ?  503 HOH C O   1 
HETATM 3944 O O   . HOH K 5 .   ? -0.241  -0.718  -13.648 1.00 37.43  ?  504 HOH C O   1 
HETATM 3945 O O   . HOH K 5 .   ? 4.952   7.650   -30.704 1.00 63.41  ?  505 HOH C O   1 
HETATM 3946 O O   . HOH K 5 .   ? -5.470  15.562  9.825   1.00 39.31  ?  506 HOH C O   1 
HETATM 3947 O O   . HOH K 5 .   ? -14.738 3.561   -10.053 1.00 39.44  ?  507 HOH C O   1 
HETATM 3948 O O   . HOH K 5 .   ? 10.617  11.843  -29.064 1.00 43.64  ?  508 HOH C O   1 
HETATM 3949 O O   . HOH K 5 .   ? -23.205 5.855   -14.820 1.00 24.12  ?  509 HOH C O   1 
HETATM 3950 O O   . HOH K 5 .   ? 12.088  11.337  -16.204 1.00 46.89  ?  510 HOH C O   1 
HETATM 3951 O O   . HOH K 5 .   ? 6.831   7.941   -34.715 1.00 49.71  ?  511 HOH C O   1 
HETATM 3952 O O   . HOH K 5 .   ? 6.641   2.430   -3.590  1.00 32.62  ?  512 HOH C O   1 
HETATM 3953 O O   . HOH K 5 .   ? 1.328   6.989   -25.885 1.00 23.74  ?  513 HOH C O   1 
HETATM 3954 O O   . HOH K 5 .   ? 14.512  12.736  -19.569 1.00 26.19  ?  514 HOH C O   1 
HETATM 3955 O O   . HOH K 5 .   ? 7.335   6.475   -3.204  1.00 18.18  ?  515 HOH C O   1 
HETATM 3956 O O   . HOH K 5 .   ? 0.567   12.370  7.054   1.00 29.48  ?  516 HOH C O   1 
HETATM 3957 O O   . HOH K 5 .   ? -6.325  -3.187  -10.502 1.00 38.89  ?  517 HOH C O   1 
HETATM 3958 O O   . HOH K 5 .   ? -11.858 3.021   1.192   1.00 25.45  ?  518 HOH C O   1 
HETATM 3959 O O   . HOH K 5 .   ? -7.151  -2.884  -6.825  1.00 13.54  ?  519 HOH C O   1 
HETATM 3960 O O   . HOH K 5 .   ? 5.047   0.485   -5.081  1.00 25.87  ?  520 HOH C O   1 
HETATM 3961 O O   . HOH K 5 .   ? -23.679 1.286   -9.705  1.00 44.78  ?  521 HOH C O   1 
HETATM 3962 O O   . HOH K 5 .   ? -17.179 4.876   -3.837  1.00 21.31  ?  522 HOH C O   1 
HETATM 3963 O O   . HOH K 5 .   ? 0.631   -4.130  -6.308  1.00 26.72  ?  523 HOH C O   1 
HETATM 3964 O O   . HOH K 5 .   ? -2.323  1.855   -3.595  1.00 11.25  ?  524 HOH C O   1 
HETATM 3965 O O   . HOH K 5 .   ? -5.150  -0.210  5.112   1.00 23.63  ?  525 HOH C O   1 
HETATM 3966 O O   . HOH K 5 .   ? -5.456  0.126   2.123   1.00 10.10  ?  526 HOH C O   1 
HETATM 3967 O O   . HOH K 5 .   ? -30.527 10.683  -4.225  1.00 13.38  ?  527 HOH C O   1 
HETATM 3968 O O   . HOH K 5 .   ? 1.154   5.760   4.516   1.00 17.27  ?  528 HOH C O   1 
HETATM 3969 O O   . HOH K 5 .   ? -23.728 8.428   -19.270 1.00 26.48  ?  529 HOH C O   1 
HETATM 3970 O O   . HOH K 5 .   ? 15.778  9.670   -16.460 1.00 32.96  ?  530 HOH C O   1 
HETATM 3971 O O   . HOH K 5 .   ? 9.716   15.685  -8.267  1.00 12.78  ?  531 HOH C O   1 
HETATM 3972 O O   . HOH K 5 .   ? -17.480 14.675  -21.926 1.00 9.51   ?  532 HOH C O   1 
HETATM 3973 O O   . HOH K 5 .   ? 2.802   16.079  -19.323 1.00 33.33  ?  533 HOH C O   1 
HETATM 3974 O O   . HOH K 5 .   ? -15.462 23.569  -20.407 1.00 11.27  ?  534 HOH C O   1 
HETATM 3975 O O   . HOH K 5 .   ? 15.502  6.307   -15.726 1.00 29.65  ?  535 HOH C O   1 
HETATM 3976 O O   . HOH K 5 .   ? 3.417   11.773  -21.204 1.00 19.18  ?  536 HOH C O   1 
HETATM 3977 O O   . HOH K 5 .   ? 15.285  4.223   -24.812 1.00 48.16  ?  537 HOH C O   1 
HETATM 3978 O O   . HOH K 5 .   ? 8.123   15.866  -19.552 1.00 26.02  ?  538 HOH C O   1 
HETATM 3979 O O   . HOH K 5 .   ? -10.049 22.282  -4.088  1.00 21.07  ?  539 HOH C O   1 
HETATM 3980 O O   . HOH K 5 .   ? -5.083  4.701   2.124   1.00 26.44  ?  540 HOH C O   1 
HETATM 3981 O O   . HOH K 5 .   ? 9.970   7.979   -25.109 1.00 28.54  ?  541 HOH C O   1 
HETATM 3982 O O   . HOH K 5 .   ? -7.869  17.028  -11.502 1.00 11.27  ?  542 HOH C O   1 
HETATM 3983 O O   . HOH K 5 .   ? -3.080  5.894   6.211   1.00 27.00  ?  543 HOH C O   1 
HETATM 3984 O O   . HOH K 5 .   ? 6.996   0.845   -10.963 1.00 24.29  ?  544 HOH C O   1 
HETATM 3985 O O   . HOH K 5 .   ? 10.400  4.196   -8.289  1.00 35.62  ?  545 HOH C O   1 
HETATM 3986 O O   . HOH K 5 .   ? 0.736   18.131  -18.223 1.00 21.56  ?  546 HOH C O   1 
HETATM 3987 O O   . HOH K 5 .   ? -5.137  12.252  -23.649 1.00 27.33  ?  547 HOH C O   1 
HETATM 3988 O O   . HOH K 5 .   ? 8.672   2.309   -18.242 1.00 28.85  ?  548 HOH C O   1 
HETATM 3989 O O   . HOH K 5 .   ? 0.812   -1.457  -10.705 1.00 25.30  ?  549 HOH C O   1 
HETATM 3990 O O   . HOH K 5 .   ? -3.673  -1.980  1.941   1.00 11.64  ?  550 HOH C O   1 
HETATM 3991 O O   . HOH K 5 .   ? -18.816 20.550  5.486   1.00 47.27  ?  551 HOH C O   1 
HETATM 3992 O O   . HOH K 5 .   ? 0.789   -0.521  6.642   1.00 38.51  ?  552 HOH C O   1 
HETATM 3993 O O   . HOH K 5 .   ? -8.802  19.760  1.405   1.00 18.43  ?  553 HOH C O   1 
HETATM 3994 O O   . HOH K 5 .   ? -15.850 20.960  -20.735 1.00 12.88  ?  554 HOH C O   1 
HETATM 3995 O O   . HOH K 5 .   ? -31.068 8.372   -3.420  1.00 19.98  ?  555 HOH C O   1 
HETATM 3996 O O   . HOH K 5 .   ? -1.508  19.568  -7.706  1.00 19.21  ?  556 HOH C O   1 
HETATM 3997 O O   . HOH K 5 .   ? 5.106   -2.423  0.277   1.00 34.05  ?  557 HOH C O   1 
HETATM 3998 O O   . HOH K 5 .   ? 2.700   19.226  -12.229 1.00 24.54  ?  558 HOH C O   1 
HETATM 3999 O O   . HOH K 5 .   ? -17.857 19.270  -21.668 1.00 11.35  ?  559 HOH C O   1 
HETATM 4000 O O   . HOH K 5 .   ? -21.266 2.499   -12.716 1.00 44.00  ?  560 HOH C O   1 
HETATM 4001 O O   . HOH K 5 .   ? 9.265   6.250   -9.584  1.00 23.01  ?  561 HOH C O   1 
HETATM 4002 O O   . HOH K 5 .   ? -20.200 19.293  3.151   1.00 39.32  ?  562 HOH C O   1 
HETATM 4003 O O   . HOH K 5 .   ? 9.726   12.346  -10.780 1.00 34.93  ?  563 HOH C O   1 
HETATM 4004 O O   . HOH K 5 .   ? -17.862 4.350   -19.615 1.00 26.00  ?  564 HOH C O   1 
HETATM 4005 O O   . HOH K 5 .   ? -10.517 -1.021  5.955   1.00 52.66  ?  565 HOH C O   1 
HETATM 4006 O O   . HOH K 5 .   ? 9.868   7.340   -11.930 1.00 21.96  ?  566 HOH C O   1 
HETATM 4007 O O   . HOH K 5 .   ? -11.027 24.239  -16.246 1.00 14.89  ?  567 HOH C O   1 
HETATM 4008 O O   . HOH K 5 .   ? -26.283 7.835   -16.528 1.00 37.38  ?  568 HOH C O   1 
HETATM 4009 O O   . HOH K 5 .   ? -1.313  21.471  -1.828  1.00 36.32  ?  569 HOH C O   1 
HETATM 4010 O O   . HOH K 5 .   ? 0.089   13.300  -21.296 1.00 32.87  ?  570 HOH C O   1 
HETATM 4011 O O   . HOH K 5 .   ? 7.622   13.375  -16.183 1.00 15.77  ?  571 HOH C O   1 
HETATM 4012 O O   . HOH K 5 .   ? -13.888 9.149   -22.706 1.00 18.86  ?  572 HOH C O   1 
HETATM 4013 O O   . HOH K 5 .   ? 2.328   -0.984  -7.391  1.00 35.58  ?  573 HOH C O   1 
HETATM 4014 O O   . HOH K 5 .   ? 9.961   9.038   -3.536  1.00 34.49  ?  574 HOH C O   1 
HETATM 4015 O O   . HOH K 5 .   ? -10.895 7.985   6.196   1.00 36.73  ?  575 HOH C O   1 
HETATM 4016 O O   . HOH K 5 .   ? -18.494 14.812  -0.340  1.00 29.63  ?  576 HOH C O   1 
HETATM 4017 O O   . HOH K 5 .   ? -4.132  8.431   8.561   1.00 44.39  ?  577 HOH C O   1 
HETATM 4018 O O   . HOH K 5 .   ? -9.465  23.457  -13.328 1.00 17.10  ?  578 HOH C O   1 
HETATM 4019 O O   . HOH K 5 .   ? -19.928 5.223   -21.073 1.00 24.27  ?  579 HOH C O   1 
HETATM 4020 O O   . HOH K 5 .   ? -9.681  9.600   -24.143 1.00 35.43  ?  580 HOH C O   1 
HETATM 4021 O O   . HOH K 5 .   ? -10.859 4.987   -1.160  1.00 25.56  ?  581 HOH C O   1 
HETATM 4022 O O   . HOH K 5 .   ? 3.894   13.095  -29.524 1.00 62.68  ?  582 HOH C O   1 
HETATM 4023 O O   . HOH K 5 .   ? -19.702 7.332   -16.464 1.00 16.50  ?  583 HOH C O   1 
HETATM 4024 O O   . HOH K 5 .   ? -32.203 6.959   -0.289  1.00 36.08  ?  584 HOH C O   1 
HETATM 4025 O O   . HOH K 5 .   ? 4.140   -7.632  0.512   1.00 37.04  ?  585 HOH C O   1 
HETATM 4026 O O   . HOH K 5 .   ? 11.455  6.962   -22.241 1.00 23.38  ?  586 HOH C O   1 
HETATM 4027 O O   . HOH K 5 .   ? 14.750  8.667   -23.087 1.00 31.76  ?  587 HOH C O   1 
HETATM 4028 O O   . HOH K 5 .   ? -11.408 4.122   -18.814 1.00 38.13  ?  588 HOH C O   1 
HETATM 4029 O O   . HOH K 5 .   ? -12.482 10.290  3.981   1.00 36.84  ?  589 HOH C O   1 
HETATM 4030 O O   . HOH K 5 .   ? 12.341  7.946   -18.931 1.00 35.60  ?  590 HOH C O   1 
HETATM 4031 O O   . HOH K 5 .   ? 15.374  9.944   -20.640 1.00 35.79  ?  591 HOH C O   1 
HETATM 4032 O O   . HOH K 5 .   ? 4.010   -0.293  -2.055  1.00 29.34  ?  592 HOH C O   1 
HETATM 4033 O O   . HOH K 5 .   ? 6.492   4.366   -0.206  1.00 31.85  ?  593 HOH C O   1 
HETATM 4034 O O   . HOH K 5 .   ? 1.262   21.030  3.474   1.00 38.38  ?  594 HOH C O   1 
HETATM 4035 O O   . HOH K 5 .   ? 6.711   -0.125  -14.506 1.00 26.27  ?  595 HOH C O   1 
HETATM 4036 O O   . HOH K 5 .   ? 0.270   3.488   4.469   1.00 33.62  ?  596 HOH C O   1 
HETATM 4037 O O   . HOH K 5 .   ? -12.186 -2.872  0.663   1.00 24.88  ?  597 HOH C O   1 
HETATM 4038 O O   . HOH K 5 .   ? 13.172  4.596   -25.961 1.00 51.09  ?  598 HOH C O   1 
HETATM 4039 O O   . HOH K 5 .   ? 7.748   13.039  6.367   1.00 37.57  ?  599 HOH C O   1 
HETATM 4040 O O   . HOH K 5 .   ? 10.815  17.388  -19.494 1.00 18.01  ?  600 HOH C O   1 
HETATM 4041 O O   . HOH K 5 .   ? -11.467 3.849   4.827   1.00 31.77  ?  601 HOH C O   1 
HETATM 4042 O O   . HOH K 5 .   ? 10.985  3.990   -5.325  1.00 21.22  ?  602 HOH C O   1 
HETATM 4043 O O   . HOH K 5 .   ? 7.926   14.450  -27.108 1.00 59.00  ?  603 HOH C O   1 
HETATM 4044 O O   . HOH K 5 .   ? -7.055  -6.556  -3.285  1.00 43.11  ?  604 HOH C O   1 
HETATM 4045 O O   . HOH K 5 .   ? -12.070 15.829  9.013   1.00 55.39  ?  605 HOH C O   1 
HETATM 4046 O O   . HOH K 5 .   ? -3.619  21.044  5.423   1.00 29.81  ?  606 HOH C O   1 
HETATM 4047 O O   . HOH K 5 .   ? 12.658  10.192  -13.028 1.00 53.07  ?  607 HOH C O   1 
HETATM 4048 O O   . HOH K 5 .   ? 8.984   11.126  5.523   1.00 34.06  ?  608 HOH C O   1 
HETATM 4049 O O   . HOH K 5 .   ? -5.317  0.727   10.564  1.00 43.90  ?  609 HOH C O   1 
HETATM 4050 O O   . HOH K 5 .   ? -0.228  12.299  -25.880 1.00 43.74  ?  610 HOH C O   1 
HETATM 4051 O O   . HOH K 5 .   ? -2.923  7.598   -32.529 1.00 34.59  ?  611 HOH C O   1 
HETATM 4052 O O   . HOH K 5 .   ? -1.552  12.167  -29.711 1.00 47.92  ?  612 HOH C O   1 
HETATM 4053 O O   . HOH K 5 .   ? -15.942 12.140  5.027   1.00 38.60  ?  613 HOH C O   1 
HETATM 4054 O O   . HOH K 5 .   ? -4.235  2.631   2.429   1.00 24.65  ?  614 HOH C O   1 
HETATM 4055 O O   . HOH K 5 .   ? -5.792  19.977  -11.751 1.00 32.10  ?  615 HOH C O   1 
HETATM 4056 O O   . HOH K 5 .   ? -3.947  -1.729  -12.523 1.00 49.69  ?  616 HOH C O   1 
HETATM 4057 O O   . HOH K 5 .   ? -1.437  -7.671  -8.149  1.00 52.64  ?  617 HOH C O   1 
HETATM 4058 O O   . HOH K 5 .   ? 6.353   10.251  9.298   1.00 39.05  ?  618 HOH C O   1 
HETATM 4059 O O   . HOH K 5 .   ? 5.898   -0.892  -9.499  1.00 36.18  ?  619 HOH C O   1 
HETATM 4060 O O   . HOH K 5 .   ? 9.957   3.693   -24.345 1.00 46.35  ?  620 HOH C O   1 
HETATM 4061 O O   . HOH K 5 .   ? -0.582  7.323   5.975   1.00 25.86  ?  621 HOH C O   1 
HETATM 4062 O O   . HOH K 5 .   ? -31.001 6.478   -12.402 1.00 44.62  ?  622 HOH C O   1 
HETATM 4063 O O   . HOH K 5 .   ? 15.034  4.212   -14.047 1.00 38.10  ?  623 HOH C O   1 
HETATM 4064 O O   . HOH K 5 .   ? -11.600 4.521   -21.012 1.00 41.72  ?  624 HOH C O   1 
HETATM 4065 O O   . HOH K 5 .   ? -13.279 4.965   0.104   1.00 32.04  ?  625 HOH C O   1 
HETATM 4066 O O   . HOH K 5 .   ? -13.815 6.888   2.161   1.00 44.87  ?  626 HOH C O   1 
HETATM 4067 O O   . HOH K 5 .   ? -2.581  3.466   4.254   1.00 46.78  ?  627 HOH C O   1 
HETATM 4068 O O   . HOH K 5 .   ? -5.864  4.078   8.545   1.00 44.89  ?  628 HOH C O   1 
HETATM 4069 O O   . HOH K 5 .   ? 9.650   10.040  -12.146 1.00 33.58  ?  629 HOH C O   1 
HETATM 4070 O O   . HOH K 5 .   ? -4.949  20.356  7.274   1.00 48.12  ?  630 HOH C O   1 
HETATM 4071 O O   . HOH K 5 .   ? -19.007 4.715   -15.524 1.00 39.38  ?  631 HOH C O   1 
HETATM 4072 O O   . HOH K 5 .   ? -11.638 1.163   4.307   1.00 46.62  ?  632 HOH C O   1 
HETATM 4073 O O   . HOH K 5 .   ? 0.623   8.085   8.387   1.00 48.80  ?  633 HOH C O   1 
HETATM 4074 O O   . HOH K 5 .   ? -12.417 -2.192  3.205   1.00 38.48  ?  634 HOH C O   1 
HETATM 4075 O O   . HOH K 5 .   ? 6.154   17.786  -23.806 1.00 44.54  ?  635 HOH C O   1 
HETATM 4076 O O   . HOH K 5 .   ? 14.790  5.663   -19.126 1.00 49.90  ?  636 HOH C O   1 
HETATM 4077 O O   . HOH K 5 .   ? 2.889   -3.173  -6.210  1.00 42.15  ?  637 HOH C O   1 
HETATM 4078 O O   . HOH K 5 .   ? -20.624 16.741  3.159   1.00 43.99  ?  638 HOH C O   1 
HETATM 4079 O O   . HOH K 5 .   ? 2.298   17.259  9.977   1.00 41.75  ?  639 HOH C O   1 
HETATM 4080 O O   . HOH K 5 .   ? -2.840  20.435  -5.655  1.00 37.48  ?  640 HOH C O   1 
HETATM 4081 O O   . HOH K 5 .   ? -17.776 12.259  1.169   1.00 40.37  ?  641 HOH C O   1 
HETATM 4082 O O   . HOH K 5 .   ? -20.063 1.620   -8.486  1.00 35.32  ?  642 HOH C O   1 
HETATM 4083 O O   . HOH K 5 .   ? -19.810 3.588   -10.182 1.00 38.67  ?  643 HOH C O   1 
HETATM 4084 O O   . HOH K 5 .   ? 1.807   20.260  -15.620 1.00 41.78  ?  644 HOH C O   1 
HETATM 4085 O O   . HOH K 5 .   ? 6.745   -1.392  -6.820  1.00 42.10  ?  645 HOH C O   1 
HETATM 4086 O O   . HOH K 5 .   ? -18.591 2.507   -17.507 1.00 43.24  ?  646 HOH C O   1 
HETATM 4087 O O   . HOH K 5 .   ? 2.883   22.124  5.326   1.00 37.65  ?  647 HOH C O   1 
HETATM 4088 O O   . HOH K 5 .   ? 0.063   -7.457  -6.117  1.00 34.75  ?  648 HOH C O   1 
HETATM 4089 O O   . HOH K 5 .   ? 13.335  2.037   -18.009 1.00 30.53  ?  649 HOH C O   1 
HETATM 4090 O O   . HOH L 5 .   ? -6.883  -13.921 33.239  1.00 33.94  ?  501 HOH B O   1 
HETATM 4091 O O   . HOH L 5 .   ? 11.330  -0.015  20.046  1.00 43.45  ?  502 HOH B O   1 
HETATM 4092 O O   . HOH L 5 .   ? 12.288  -30.079 25.735  1.00 39.19  ?  503 HOH B O   1 
HETATM 4093 O O   . HOH L 5 .   ? 7.933   -31.064 19.830  1.00 38.93  ?  504 HOH B O   1 
HETATM 4094 O O   . HOH L 5 .   ? 13.135  -25.123 17.022  1.00 34.97  ?  505 HOH B O   1 
HETATM 4095 O O   . HOH L 5 .   ? -16.051 -20.490 3.097   1.00 43.58  ?  506 HOH B O   1 
HETATM 4096 O O   . HOH L 5 .   ? -5.279  -10.895 -0.129  1.00 30.83  ?  507 HOH B O   1 
HETATM 4097 O O   . HOH L 5 .   ? 2.884   -30.888 17.286  1.00 43.85  ?  508 HOH B O   1 
HETATM 4098 O O   . HOH L 5 .   ? -0.356  -32.013 28.431  1.00 48.31  ?  509 HOH B O   1 
HETATM 4099 O O   . HOH L 5 .   ? 16.883  -23.210 17.720  1.00 30.97  ?  510 HOH B O   1 
HETATM 4100 O O   . HOH L 5 .   ? -0.337  -4.267  25.572  1.00 35.61  ?  511 HOH B O   1 
HETATM 4101 O O   . HOH L 5 .   ? 4.511   -28.401 30.103  1.00 25.66  ?  512 HOH B O   1 
HETATM 4102 O O   . HOH L 5 .   ? -3.098  -8.193  -1.388  1.00 25.93  ?  513 HOH B O   1 
HETATM 4103 O O   . HOH L 5 .   ? 7.633   -28.214 31.705  1.00 37.46  ?  514 HOH B O   1 
HETATM 4104 O O   . HOH L 5 .   ? -4.002  -27.938 12.661  1.00 38.14  ?  515 HOH B O   1 
HETATM 4105 O O   . HOH L 5 .   ? -8.158  -22.113 23.781  1.00 32.08  ?  516 HOH B O   1 
HETATM 4106 O O   . HOH L 5 .   ? -11.164 -20.945 4.065   1.00 22.01  ?  517 HOH B O   1 
HETATM 4107 O O   . HOH L 5 .   ? -1.233  -20.972 1.378   1.00 33.08  ?  518 HOH B O   1 
HETATM 4108 O O   . HOH L 5 .   ? 11.351  1.142   11.578  1.00 38.57  ?  519 HOH B O   1 
HETATM 4109 O O   . HOH L 5 .   ? 8.439   -4.739  7.479   1.00 30.45  ?  520 HOH B O   1 
HETATM 4110 O O   . HOH L 5 .   ? -5.765  -25.103 21.960  1.00 24.16  ?  521 HOH B O   1 
HETATM 4111 O O   . HOH L 5 .   ? -8.375  -19.170 23.502  1.00 18.86  ?  522 HOH B O   1 
HETATM 4112 O O   . HOH L 5 .   ? -4.789  -20.276 4.153   1.00 26.62  ?  523 HOH B O   1 
HETATM 4113 O O   . HOH L 5 .   ? 2.709   -14.323 3.445   1.00 15.26  ?  524 HOH B O   1 
HETATM 4114 O O   . HOH L 5 .   ? -6.796  -12.060 16.967  1.00 17.76  ?  525 HOH B O   1 
HETATM 4115 O O   . HOH L 5 .   ? 14.287  0.167   17.304  1.00 21.63  ?  526 HOH B O   1 
HETATM 4116 O O   . HOH L 5 .   ? -10.087 -19.311 1.279   1.00 24.63  ?  527 HOH B O   1 
HETATM 4117 O O   . HOH L 5 .   ? -8.752  -23.733 13.309  1.00 21.08  ?  528 HOH B O   1 
HETATM 4118 O O   . HOH L 5 .   ? 22.861  -0.792  28.480  1.00 30.46  ?  529 HOH B O   1 
HETATM 4119 O O   . HOH L 5 .   ? -4.265  -13.702 0.054   1.00 43.85  ?  530 HOH B O   1 
HETATM 4120 O O   . HOH L 5 .   ? 10.817  -13.826 30.170  1.00 43.88  ?  531 HOH B O   1 
HETATM 4121 O O   . HOH L 5 .   ? 14.491  3.168   7.176   1.00 10.43  ?  532 HOH B O   1 
HETATM 4122 O O   . HOH L 5 .   ? 4.589   -25.784 9.566   1.00 21.94  ?  533 HOH B O   1 
HETATM 4123 O O   . HOH L 5 .   ? -2.591  -25.249 1.244   1.00 17.98  ?  534 HOH B O   1 
HETATM 4124 O O   . HOH L 5 .   ? -0.648  -23.809 30.498  1.00 23.10  ?  535 HOH B O   1 
HETATM 4125 O O   . HOH L 5 .   ? 19.038  -13.552 3.558   1.00 7.17   ?  536 HOH B O   1 
HETATM 4126 O O   . HOH L 5 .   ? 24.632  -3.185  26.271  1.00 26.42  ?  537 HOH B O   1 
HETATM 4127 O O   . HOH L 5 .   ? 3.376   -18.219 29.435  1.00 28.56  ?  538 HOH B O   1 
HETATM 4128 O O   . HOH L 5 .   ? 14.666  -6.020  6.329   1.00 7.03   ?  539 HOH B O   1 
HETATM 4129 O O   . HOH L 5 .   ? 15.624  0.837   12.521  1.00 23.48  ?  540 HOH B O   1 
HETATM 4130 O O   . HOH L 5 .   ? -1.812  -8.166  25.274  1.00 17.26  ?  541 HOH B O   1 
HETATM 4131 O O   . HOH L 5 .   ? -7.489  -15.380 22.251  1.00 15.84  ?  542 HOH B O   1 
HETATM 4132 O O   . HOH L 5 .   ? -10.895 -18.700 17.531  1.00 18.33  ?  543 HOH B O   1 
HETATM 4133 O O   . HOH L 5 .   ? 3.611   -4.726  12.168  1.00 32.15  ?  544 HOH B O   1 
HETATM 4134 O O   . HOH L 5 .   ? 3.035   -22.249 32.242  1.00 28.34  ?  545 HOH B O   1 
HETATM 4135 O O   . HOH L 5 .   ? 9.384   -11.351 24.815  1.00 14.96  ?  546 HOH B O   1 
HETATM 4136 O O   . HOH L 5 .   ? -10.843 -23.250 17.654  1.00 52.33  ?  547 HOH B O   1 
HETATM 4137 O O   . HOH L 5 .   ? 15.049  -20.925 30.957  1.00 35.32  ?  548 HOH B O   1 
HETATM 4138 O O   . HOH L 5 .   ? -3.835  -7.598  29.525  1.00 39.82  ?  549 HOH B O   1 
HETATM 4139 O O   . HOH L 5 .   ? -7.335  -8.413  23.375  1.00 20.74  ?  550 HOH B O   1 
HETATM 4140 O O   . HOH L 5 .   ? 16.290  -25.092 20.340  1.00 32.52  ?  551 HOH B O   1 
HETATM 4141 O O   . HOH L 5 .   ? 6.791   -13.126 27.941  1.00 17.24  ?  552 HOH B O   1 
HETATM 4142 O O   . HOH L 5 .   ? -2.807  -24.605 4.069   1.00 25.77  ?  553 HOH B O   1 
HETATM 4143 O O   . HOH L 5 .   ? 20.281  -23.180 17.063  1.00 48.06  ?  554 HOH B O   1 
HETATM 4144 O O   . HOH L 5 .   ? -12.832 -18.250 10.297  1.00 24.49  ?  555 HOH B O   1 
HETATM 4145 O O   . HOH L 5 .   ? -3.014  -24.258 32.439  1.00 29.73  ?  556 HOH B O   1 
HETATM 4146 O O   . HOH L 5 .   ? 1.700   -21.783 4.540   1.00 23.08  ?  557 HOH B O   1 
HETATM 4147 O O   . HOH L 5 .   ? 17.780  -8.602  4.719   1.00 9.17   ?  558 HOH B O   1 
HETATM 4148 O O   . HOH L 5 .   ? -2.027  -18.248 5.126   1.00 16.11  ?  559 HOH B O   1 
HETATM 4149 O O   . HOH L 5 .   ? 4.219   -21.462 5.249   1.00 22.01  ?  560 HOH B O   1 
HETATM 4150 O O   . HOH L 5 .   ? 19.338  3.287   21.851  1.00 29.09  ?  561 HOH B O   1 
HETATM 4151 O O   . HOH L 5 .   ? -1.821  -15.477 25.314  1.00 11.66  ?  562 HOH B O   1 
HETATM 4152 O O   . HOH L 5 .   ? -8.295  -27.630 3.033   1.00 25.13  ?  563 HOH B O   1 
HETATM 4153 O O   . HOH L 5 .   ? 8.898   -25.596 14.951  1.00 28.71  ?  564 HOH B O   1 
HETATM 4154 O O   . HOH L 5 .   ? -8.549  -15.696 -6.278  1.00 49.19  ?  565 HOH B O   1 
HETATM 4155 O O   . HOH L 5 .   ? 15.694  -25.050 23.637  1.00 21.99  ?  566 HOH B O   1 
HETATM 4156 O O   . HOH L 5 .   ? 17.545  -11.547 4.380   1.00 11.77  ?  567 HOH B O   1 
HETATM 4157 O O   . HOH L 5 .   ? 13.693  -28.134 23.515  1.00 38.16  ?  568 HOH B O   1 
HETATM 4158 O O   . HOH L 5 .   ? 10.747  -18.140 13.022  1.00 13.97  ?  569 HOH B O   1 
HETATM 4159 O O   . HOH L 5 .   ? 12.599  -2.484  14.641  1.00 12.58  ?  570 HOH B O   1 
HETATM 4160 O O   . HOH L 5 .   ? 7.926   -14.512 33.121  1.00 26.78  ?  571 HOH B O   1 
HETATM 4161 O O   . HOH L 5 .   ? 3.416   -11.516 3.453   1.00 12.33  ?  572 HOH B O   1 
HETATM 4162 O O   . HOH L 5 .   ? -10.664 -23.409 6.680   1.00 24.36  ?  573 HOH B O   1 
HETATM 4163 O O   . HOH L 5 .   ? 20.320  -25.008 32.651  1.00 50.55  ?  574 HOH B O   1 
HETATM 4164 O O   . HOH L 5 .   ? 25.526  -1.247  22.326  1.00 36.64  ?  575 HOH B O   1 
HETATM 4165 O O   . HOH L 5 .   ? -3.482  -24.176 8.082   1.00 32.44  ?  576 HOH B O   1 
HETATM 4166 O O   . HOH L 5 .   ? 7.359   -5.528  21.324  1.00 23.48  ?  577 HOH B O   1 
HETATM 4167 O O   . HOH L 5 .   ? -5.030  -5.020  26.930  1.00 43.38  ?  578 HOH B O   1 
HETATM 4168 O O   . HOH L 5 .   ? 19.070  1.129   14.836  1.00 29.88  ?  579 HOH B O   1 
HETATM 4169 O O   . HOH L 5 .   ? 17.008  2.432   16.610  1.00 43.60  ?  580 HOH B O   1 
HETATM 4170 O O   . HOH L 5 .   ? 6.761   -6.595  7.247   1.00 19.27  ?  581 HOH B O   1 
HETATM 4171 O O   . HOH L 5 .   ? -7.945  -18.683 26.566  1.00 32.93  ?  582 HOH B O   1 
HETATM 4172 O O   . HOH L 5 .   ? 8.539   -32.922 25.474  1.00 42.38  ?  583 HOH B O   1 
HETATM 4173 O O   . HOH L 5 .   ? -8.511  -23.806 15.864  1.00 28.59  ?  584 HOH B O   1 
HETATM 4174 O O   . HOH L 5 .   ? 19.292  -15.030 25.732  1.00 30.48  ?  585 HOH B O   1 
HETATM 4175 O O   . HOH L 5 .   ? 16.999  -18.608 6.138   1.00 11.84  ?  586 HOH B O   1 
HETATM 4176 O O   . HOH L 5 .   ? -10.672 -12.257 12.993  1.00 26.83  ?  587 HOH B O   1 
HETATM 4177 O O   . HOH L 5 .   ? 1.141   -32.046 14.981  1.00 40.19  ?  588 HOH B O   1 
HETATM 4178 O O   . HOH L 5 .   ? 12.485  -17.422 30.929  1.00 54.06  ?  589 HOH B O   1 
HETATM 4179 O O   . HOH L 5 .   ? 5.504   -2.042  28.311  1.00 40.37  ?  590 HOH B O   1 
HETATM 4180 O O   . HOH L 5 .   ? 21.488  -19.570 13.330  1.00 23.42  ?  591 HOH B O   1 
HETATM 4181 O O   . HOH L 5 .   ? 15.641  -20.441 8.938   1.00 13.73  ?  592 HOH B O   1 
HETATM 4182 O O   . HOH L 5 .   ? -2.755  -21.717 3.481   1.00 25.58  ?  593 HOH B O   1 
HETATM 4183 O O   . HOH L 5 .   ? 0.301   -19.346 0.484   1.00 40.17  ?  594 HOH B O   1 
HETATM 4184 O O   . HOH L 5 .   ? 18.719  -21.462 14.197  1.00 34.11  ?  595 HOH B O   1 
HETATM 4185 O O   . HOH L 5 .   ? 8.911   -17.488 33.320  1.00 41.81  ?  596 HOH B O   1 
HETATM 4186 O O   . HOH L 5 .   ? -0.560  -14.593 32.152  1.00 22.99  ?  597 HOH B O   1 
HETATM 4187 O O   . HOH L 5 .   ? 8.827   -0.099  12.912  1.00 34.41  ?  598 HOH B O   1 
HETATM 4188 O O   . HOH L 5 .   ? 22.929  -6.546  29.006  1.00 42.44  ?  599 HOH B O   1 
HETATM 4189 O O   . HOH L 5 .   ? 1.263   -17.003 31.015  1.00 31.43  ?  600 HOH B O   1 
HETATM 4190 O O   . HOH L 5 .   ? -6.187  -24.312 26.267  1.00 27.75  ?  601 HOH B O   1 
HETATM 4191 O O   . HOH L 5 .   ? -18.191 -19.464 6.243   1.00 35.84  ?  602 HOH B O   1 
HETATM 4192 O O   . HOH L 5 .   ? -12.524 -16.535 15.590  1.00 23.48  ?  603 HOH B O   1 
HETATM 4193 O O   . HOH L 5 .   ? -0.104  -30.999 11.386  1.00 41.00  ?  604 HOH B O   1 
HETATM 4194 O O   . HOH L 5 .   ? 0.814   -2.339  29.934  1.00 55.98  ?  605 HOH B O   1 
HETATM 4195 O O   . HOH L 5 .   ? 3.308   -33.999 19.484  1.00 48.45  ?  606 HOH B O   1 
HETATM 4196 O O   . HOH L 5 .   ? -9.146  -22.475 -3.515  1.00 38.30  ?  607 HOH B O   1 
HETATM 4197 O O   . HOH L 5 .   ? 19.381  -19.470 11.862  1.00 38.04  ?  608 HOH B O   1 
HETATM 4198 O O   . HOH L 5 .   ? 14.048  -5.189  29.640  1.00 42.70  ?  609 HOH B O   1 
HETATM 4199 O O   . HOH L 5 .   ? 14.474  2.565   10.798  1.00 41.14  ?  610 HOH B O   1 
HETATM 4200 O O   . HOH L 5 .   ? 21.814  -21.756 19.682  1.00 39.66  ?  611 HOH B O   1 
HETATM 4201 O O   . HOH L 5 .   ? -2.741  -14.423 32.532  1.00 17.82  ?  612 HOH B O   1 
HETATM 4202 O O   . HOH L 5 .   ? 7.714   -3.589  28.980  1.00 43.83  ?  613 HOH B O   1 
HETATM 4203 O O   . HOH L 5 .   ? -6.944  -21.401 27.321  1.00 26.62  ?  614 HOH B O   1 
HETATM 4204 O O   . HOH L 5 .   ? 16.327  -19.931 13.881  1.00 39.87  ?  615 HOH B O   1 
HETATM 4205 O O   . HOH L 5 .   ? 18.550  -23.694 34.006  1.00 51.85  ?  616 HOH B O   1 
HETATM 4206 O O   . HOH L 5 .   ? -7.519  -5.318  27.666  1.00 57.00  ?  617 HOH B O   1 
HETATM 4207 O O   . HOH L 5 .   ? 1.672   -10.413 33.156  1.00 40.06  ?  618 HOH B O   1 
HETATM 4208 O O   . HOH L 5 .   ? -9.928  -21.737 32.000  1.00 45.68  ?  619 HOH B O   1 
HETATM 4209 O O   . HOH L 5 .   ? 13.553  -2.613  23.732  1.00 38.42  ?  620 HOH B O   1 
HETATM 4210 O O   . HOH L 5 .   ? -8.893  -29.128 18.840  1.00 51.56  ?  621 HOH B O   1 
HETATM 4211 O O   . HOH L 5 .   ? 8.503   -24.009 35.878  1.00 45.40  ?  622 HOH B O   1 
HETATM 4212 O O   . HOH L 5 .   ? 20.769  3.351   28.859  1.00 39.54  ?  623 HOH B O   1 
HETATM 4213 O O   . HOH L 5 .   ? -2.895  -5.694  25.661  1.00 37.11  ?  624 HOH B O   1 
HETATM 4214 O O   . HOH L 5 .   ? 17.607  -30.855 26.531  1.00 65.09  ?  625 HOH B O   1 
HETATM 4215 O O   . HOH L 5 .   ? 11.023  -21.099 11.197  1.00 35.30  ?  626 HOH B O   1 
HETATM 4216 O O   . HOH L 5 .   ? 16.920  -17.167 31.363  1.00 42.61  ?  627 HOH B O   1 
HETATM 4217 O O   . HOH L 5 .   ? 11.614  -21.048 33.988  1.00 50.46  ?  628 HOH B O   1 
HETATM 4218 O O   . HOH L 5 .   ? 1.794   -24.311 31.230  1.00 34.10  ?  629 HOH B O   1 
HETATM 4219 O O   . HOH L 5 .   ? 15.620  -7.169  30.548  1.00 37.39  ?  630 HOH B O   1 
HETATM 4220 O O   . HOH L 5 .   ? -2.646  -34.359 25.794  1.00 63.33  ?  631 HOH B O   1 
HETATM 4221 O O   . HOH L 5 .   ? -8.661  -31.179 17.407  1.00 43.52  ?  632 HOH B O   1 
HETATM 4222 O O   . HOH L 5 .   ? 8.871   -11.828 29.465  1.00 35.18  ?  633 HOH B O   1 
HETATM 4223 O O   . HOH L 5 .   ? -0.140  -34.461 27.340  1.00 54.78  ?  634 HOH B O   1 
HETATM 4224 O O   . HOH L 5 .   ? -12.554 -11.471 15.173  1.00 29.12  ?  635 HOH B O   1 
HETATM 4225 O O   . HOH L 5 .   ? -5.469  -24.481 9.833   1.00 32.97  ?  636 HOH B O   1 
HETATM 4226 O O   . HOH L 5 .   ? 9.334   -28.067 15.923  1.00 44.51  ?  637 HOH B O   1 
HETATM 4227 O O   . HOH L 5 .   ? -0.560  -24.025 0.443   1.00 22.91  ?  638 HOH B O   1 
HETATM 4228 O O   . HOH L 5 .   ? 13.538  -10.247 27.463  1.00 48.32  ?  639 HOH B O   1 
HETATM 4229 O O   . HOH L 5 .   ? 12.986  0.361   13.494  1.00 35.90  ?  640 HOH B O   1 
HETATM 4230 O O   . HOH L 5 .   ? 7.298   -33.879 30.053  1.00 47.85  ?  641 HOH B O   1 
HETATM 4231 O O   . HOH L 5 .   ? 6.096   -27.699 12.333  1.00 31.34  ?  642 HOH B O   1 
HETATM 4232 O O   . HOH L 5 .   ? -0.095  -37.066 25.829  1.00 57.96  ?  643 HOH B O   1 
HETATM 4233 O O   . HOH L 5 .   ? 7.499   -34.610 27.352  1.00 54.73  ?  644 HOH B O   1 
HETATM 4234 O O   . HOH L 5 .   ? 2.067   -3.764  10.642  1.00 31.40  ?  645 HOH B O   1 
HETATM 4235 O O   . HOH L 5 .   ? 10.141  -1.713  16.683  1.00 44.01  ?  646 HOH B O   1 
HETATM 4236 O O   . HOH L 5 .   ? -6.459  -25.661 12.457  1.00 47.32  ?  647 HOH B O   1 
HETATM 4237 O O   . HOH L 5 .   ? -6.535  -8.700  31.834  1.00 51.22  ?  648 HOH B O   1 
HETATM 4238 O O   . HOH L 5 .   ? 13.379  -29.534 21.446  1.00 42.61  ?  649 HOH B O   1 
HETATM 4239 O O   . HOH L 5 .   ? -11.450 -22.855 -2.158  1.00 31.16  ?  650 HOH B O   1 
HETATM 4240 O O   . HOH L 5 .   ? -3.371  -7.457  31.808  1.00 38.64  ?  651 HOH B O   1 
HETATM 4241 O O   . HOH L 5 .   ? -2.636  -9.799  -3.514  1.00 45.72  ?  652 HOH B O   1 
HETATM 4242 O O   . HOH L 5 .   ? -12.568 -20.568 18.188  1.00 38.64  ?  653 HOH B O   1 
HETATM 4243 O O   . HOH L 5 .   ? -4.495  -10.136 32.297  1.00 41.09  ?  654 HOH B O   1 
HETATM 4244 O O   . HOH L 5 .   ? 14.554  -21.879 7.172   1.00 35.38  ?  655 HOH B O   1 
HETATM 4245 O O   . HOH L 5 .   ? 12.634  1.853   15.684  1.00 38.84  ?  656 HOH B O   1 
HETATM 4246 O O   . HOH L 5 .   ? 18.875  -20.378 9.434   1.00 38.75  ?  657 HOH B O   1 
HETATM 4247 O O   . HOH L 5 .   ? 13.571  -32.965 29.441  1.00 55.87  ?  658 HOH B O   1 
HETATM 4248 O O   . HOH L 5 .   ? -2.233  -9.613  32.798  1.00 38.80  ?  659 HOH B O   1 
HETATM 4249 O O   . HOH M 5 .   ? -39.383 18.852  -4.813  1.00 18.44  ?  601 HOH D O   1 
HETATM 4250 O O   . HOH M 5 .   ? -18.137 18.696  -29.236 1.00 34.97  ?  602 HOH D O   1 
HETATM 4251 O O   . HOH M 5 .   ? -25.297 30.105  -12.983 1.00 41.61  ?  603 HOH D O   1 
HETATM 4252 O O   . HOH M 5 .   ? -10.702 -0.565  -11.401 1.00 41.94  ?  604 HOH D O   1 
HETATM 4253 O O   . HOH M 5 .   ? -33.124 24.323  -12.200 1.00 18.55  ?  605 HOH D O   1 
HETATM 4254 O O   . HOH M 5 .   ? 3.580   30.317  -25.242 1.00 56.82  ?  606 HOH D O   1 
HETATM 4255 O O   . HOH M 5 .   ? -21.054 35.104  -27.045 1.00 45.09  ?  607 HOH D O   1 
HETATM 4256 O O   . HOH M 5 .   ? -27.637 25.184  -21.548 1.00 19.88  ?  608 HOH D O   1 
HETATM 4257 O O   . HOH M 5 .   ? -8.583  25.638  -16.410 1.00 27.52  ?  609 HOH D O   1 
HETATM 4258 O O   . HOH M 5 .   ? -13.415 33.645  -23.581 1.00 36.04  ?  610 HOH D O   1 
HETATM 4259 O O   . HOH M 5 .   ? -31.571 19.690  -0.997  1.00 28.52  ?  611 HOH D O   1 
HETATM 4260 O O   . HOH M 5 .   ? -17.099 28.902  -29.462 1.00 23.26  ?  612 HOH D O   1 
HETATM 4261 O O   . HOH M 5 .   ? -23.264 8.431   -25.184 1.00 15.67  ?  613 HOH D O   1 
HETATM 4262 O O   . HOH M 5 .   ? -17.707 27.854  1.241   1.00 22.42  ?  614 HOH D O   1 
HETATM 4263 O O   . HOH M 5 .   ? -19.006 14.319  -3.171  1.00 17.92  ?  615 HOH D O   1 
HETATM 4264 O O   . HOH M 5 .   ? -8.171  28.403  -23.219 1.00 26.64  ?  616 HOH D O   1 
HETATM 4265 O O   . HOH M 5 .   ? -30.070 19.371  -23.160 1.00 15.88  ?  617 HOH D O   1 
HETATM 4266 O O   . HOH M 5 .   ? -21.809 19.703  -0.228  1.00 24.00  ?  618 HOH D O   1 
HETATM 4267 O O   . HOH M 5 .   ? -21.547 12.637  -32.478 1.00 33.75  ?  619 HOH D O   1 
HETATM 4268 O O   . HOH M 5 .   ? -25.229 6.822   -23.143 1.00 37.54  ?  620 HOH D O   1 
HETATM 4269 O O   . HOH M 5 .   ? -4.861  -2.584  -23.971 1.00 51.35  ?  621 HOH D O   1 
HETATM 4270 O O   . HOH M 5 .   ? -5.394  31.434  -5.725  1.00 45.94  ?  622 HOH D O   1 
HETATM 4271 O O   . HOH M 5 .   ? -12.954 4.850   -7.163  1.00 31.38  ?  623 HOH D O   1 
HETATM 4272 O O   . HOH M 5 .   ? -30.253 16.225  -38.234 1.00 36.84  ?  624 HOH D O   1 
HETATM 4273 O O   . HOH M 5 .   ? -4.740  23.490  -17.005 1.00 34.33  ?  625 HOH D O   1 
HETATM 4274 O O   . HOH M 5 .   ? -23.805 23.994  -4.264  1.00 13.27  ?  626 HOH D O   1 
HETATM 4275 O O   . HOH M 5 .   ? -21.924 4.533   -25.705 1.00 39.02  ?  627 HOH D O   1 
HETATM 4276 O O   . HOH M 5 .   ? -6.656  21.483  -30.363 1.00 45.18  ?  628 HOH D O   1 
HETATM 4277 O O   . HOH M 5 .   ? -18.959 34.279  -23.735 1.00 41.19  ?  629 HOH D O   1 
HETATM 4278 O O   . HOH M 5 .   ? -9.378  15.913  -28.110 1.00 53.25  ?  630 HOH D O   1 
HETATM 4279 O O   . HOH M 5 .   ? -32.352 22.945  -5.939  1.00 11.95  ?  631 HOH D O   1 
HETATM 4280 O O   . HOH M 5 .   ? -29.940 21.852  -23.211 1.00 23.55  ?  632 HOH D O   1 
HETATM 4281 O O   . HOH M 5 .   ? -12.112 11.774  -24.471 1.00 15.86  ?  633 HOH D O   1 
HETATM 4282 O O   . HOH M 5 .   ? -22.306 24.257  -29.942 1.00 25.71  ?  634 HOH D O   1 
HETATM 4283 O O   . HOH M 5 .   ? -6.950  6.346   -5.983  1.00 8.50   ?  635 HOH D O   1 
HETATM 4284 O O   . HOH M 5 .   ? -22.626 20.161  -2.776  1.00 19.16  ?  636 HOH D O   1 
HETATM 4285 O O   . HOH M 5 .   ? -23.738 33.355  -14.906 1.00 33.72  ?  637 HOH D O   1 
HETATM 4286 O O   . HOH M 5 .   ? -13.931 28.973  -30.943 1.00 37.36  ?  638 HOH D O   1 
HETATM 4287 O O   . HOH M 5 .   ? -26.834 11.972  -2.926  1.00 11.89  ?  639 HOH D O   1 
HETATM 4288 O O   . HOH M 5 .   ? -5.596  25.476  -19.913 1.00 30.94  ?  640 HOH D O   1 
HETATM 4289 O O   . HOH M 5 .   ? 2.823   3.378   -26.164 1.00 31.51  ?  641 HOH D O   1 
HETATM 4290 O O   . HOH M 5 .   ? -14.752 13.696  -27.640 1.00 13.85  ?  642 HOH D O   1 
HETATM 4291 O O   . HOH M 5 .   ? -30.037 26.179  -7.485  1.00 13.31  ?  643 HOH D O   1 
HETATM 4292 O O   . HOH M 5 .   ? -23.455 15.877  -24.966 1.00 10.34  ?  644 HOH D O   1 
HETATM 4293 O O   . HOH M 5 .   ? -16.865 9.930   -4.222  1.00 38.89  ?  645 HOH D O   1 
HETATM 4294 O O   . HOH M 5 .   ? -15.936 2.676   -29.065 1.00 46.06  ?  646 HOH D O   1 
HETATM 4295 O O   . HOH M 5 .   ? -10.959 18.425  -12.613 1.00 11.50  ?  647 HOH D O   1 
HETATM 4296 O O   . HOH M 5 .   ? -7.225  0.200   -17.158 1.00 22.67  ?  648 HOH D O   1 
HETATM 4297 O O   . HOH M 5 .   ? -2.630  13.829  -3.124  1.00 10.44  ?  649 HOH D O   1 
HETATM 4298 O O   . HOH M 5 .   ? -25.515 32.102  -23.698 1.00 46.18  ?  650 HOH D O   1 
HETATM 4299 O O   . HOH M 5 .   ? -32.672 18.740  -17.202 1.00 10.00  ?  651 HOH D O   1 
HETATM 4300 O O   . HOH M 5 .   ? -30.493 23.653  -13.060 1.00 14.10  ?  652 HOH D O   1 
HETATM 4301 O O   . HOH M 5 .   ? -34.421 17.838  -9.845  1.00 13.10  ?  653 HOH D O   1 
HETATM 4302 O O   . HOH M 5 .   ? -28.480 31.338  -22.272 1.00 45.68  ?  654 HOH D O   1 
HETATM 4303 O O   . HOH M 5 .   ? -33.712 24.050  -1.754  1.00 13.49  ?  655 HOH D O   1 
HETATM 4304 O O   . HOH M 5 .   ? -25.244 8.083   -29.440 1.00 51.58  ?  656 HOH D O   1 
HETATM 4305 O O   . HOH M 5 .   ? -20.641 21.666  -4.216  1.00 12.66  ?  657 HOH D O   1 
HETATM 4306 O O   . HOH M 5 .   ? -22.977 30.580  -12.632 1.00 36.66  ?  658 HOH D O   1 
HETATM 4307 O O   . HOH M 5 .   ? -27.302 31.415  -27.947 1.00 47.74  ?  659 HOH D O   1 
HETATM 4308 O O   . HOH M 5 .   ? -13.811 15.462  -32.934 1.00 30.78  ?  660 HOH D O   1 
HETATM 4309 O O   . HOH M 5 .   ? -28.399 12.007  -16.865 1.00 16.82  ?  661 HOH D O   1 
HETATM 4310 O O   . HOH M 5 .   ? -13.212 24.761  -5.664  1.00 34.13  ?  662 HOH D O   1 
HETATM 4311 O O   . HOH M 5 .   ? -2.783  13.579  -23.031 1.00 20.47  ?  663 HOH D O   1 
HETATM 4312 O O   . HOH M 5 .   ? -8.995  2.889   -14.389 1.00 9.25   ?  664 HOH D O   1 
HETATM 4313 O O   . HOH M 5 .   ? -14.825 30.450  -15.974 1.00 36.21  ?  665 HOH D O   1 
HETATM 4314 O O   . HOH M 5 .   ? -16.419 7.625   -4.637  1.00 24.48  ?  666 HOH D O   1 
HETATM 4315 O O   . HOH M 5 .   ? -17.602 4.978   -12.685 1.00 38.17  ?  667 HOH D O   1 
HETATM 4316 O O   . HOH M 5 .   ? -18.339 11.624  -3.268  1.00 14.02  ?  668 HOH D O   1 
HETATM 4317 O O   . HOH M 5 .   ? -9.694  9.752   -26.840 1.00 39.46  ?  669 HOH D O   1 
HETATM 4318 O O   . HOH M 5 .   ? -29.215 15.418  -22.034 1.00 13.09  ?  670 HOH D O   1 
HETATM 4319 O O   . HOH M 5 .   ? -17.917 21.348  -4.534  1.00 13.16  ?  671 HOH D O   1 
HETATM 4320 O O   . HOH M 5 .   ? -6.245  -0.395  -12.422 1.00 29.95  ?  672 HOH D O   1 
HETATM 4321 O O   . HOH M 5 .   ? -23.965 16.324  3.628   1.00 45.02  ?  673 HOH D O   1 
HETATM 4322 O O   . HOH M 5 .   ? -18.573 22.667  -31.902 1.00 28.78  ?  674 HOH D O   1 
HETATM 4323 O O   . HOH M 5 .   ? -20.941 16.905  -4.356  1.00 17.75  ?  675 HOH D O   1 
HETATM 4324 O O   . HOH M 5 .   ? -14.089 5.768   -21.074 1.00 21.49  ?  676 HOH D O   1 
HETATM 4325 O O   . HOH M 5 .   ? 3.931   1.505   -22.401 1.00 36.84  ?  677 HOH D O   1 
HETATM 4326 O O   . HOH M 5 .   ? -12.781 25.939  -14.592 1.00 20.93  ?  678 HOH D O   1 
HETATM 4327 O O   . HOH M 5 .   ? -3.764  9.035   -4.346  1.00 10.47  ?  679 HOH D O   1 
HETATM 4328 O O   . HOH M 5 .   ? -6.159  25.397  -23.140 1.00 23.80  ?  680 HOH D O   1 
HETATM 4329 O O   . HOH M 5 .   ? -2.429  15.563  -25.218 1.00 32.95  ?  681 HOH D O   1 
HETATM 4330 O O   . HOH M 5 .   ? -23.643 18.220  -4.545  1.00 13.70  ?  682 HOH D O   1 
HETATM 4331 O O   . HOH M 5 .   ? -22.563 31.155  -9.499  1.00 39.87  ?  683 HOH D O   1 
HETATM 4332 O O   . HOH M 5 .   ? -30.822 22.244  2.127   1.00 42.27  ?  684 HOH D O   1 
HETATM 4333 O O   . HOH M 5 .   ? -4.027  11.689  -4.084  1.00 9.50   ?  685 HOH D O   1 
HETATM 4334 O O   . HOH M 5 .   ? -2.880  -0.875  -14.591 1.00 30.03  ?  686 HOH D O   1 
HETATM 4335 O O   . HOH M 5 .   ? -32.261 12.274  -12.825 1.00 24.80  ?  687 HOH D O   1 
HETATM 4336 O O   . HOH M 5 .   ? -36.792 19.325  -0.969  1.00 44.46  ?  688 HOH D O   1 
HETATM 4337 O O   . HOH M 5 .   ? -4.985  19.007  -5.542  1.00 14.01  ?  689 HOH D O   1 
HETATM 4338 O O   . HOH M 5 .   ? -14.870 6.958   -6.929  1.00 20.06  ?  690 HOH D O   1 
HETATM 4339 O O   . HOH M 5 .   ? -29.518 19.050  -26.270 1.00 28.31  ?  691 HOH D O   1 
HETATM 4340 O O   . HOH M 5 .   ? -7.945  25.816  -8.780  1.00 45.09  ?  692 HOH D O   1 
HETATM 4341 O O   . HOH M 5 .   ? -2.259  -3.045  -21.465 1.00 28.52  ?  693 HOH D O   1 
HETATM 4342 O O   . HOH M 5 .   ? -13.208 26.206  -12.059 1.00 37.47  ?  694 HOH D O   1 
HETATM 4343 O O   . HOH M 5 .   ? -19.448 10.922  -32.849 1.00 47.45  ?  695 HOH D O   1 
HETATM 4344 O O   . HOH M 5 .   ? -25.334 24.341  -7.407  1.00 9.88   ?  696 HOH D O   1 
HETATM 4345 O O   . HOH M 5 .   ? -6.093  20.838  -8.373  1.00 20.39  ?  697 HOH D O   1 
HETATM 4346 O O   . HOH M 5 .   ? -21.363 14.578  -1.058  1.00 32.01  ?  698 HOH D O   1 
HETATM 4347 O O   . HOH M 5 .   ? -28.363 21.622  -27.005 1.00 20.57  ?  699 HOH D O   1 
HETATM 4348 O O   . HOH M 5 .   ? -12.770 0.385   -12.852 1.00 30.72  ?  700 HOH D O   1 
HETATM 4349 O O   . HOH M 5 .   ? -32.742 20.628  -3.549  1.00 8.28   ?  701 HOH D O   1 
HETATM 4350 O O   . HOH M 5 .   ? 0.516   0.840   -33.728 1.00 32.33  ?  702 HOH D O   1 
HETATM 4351 O O   . HOH M 5 .   ? -9.980  22.236  -6.620  1.00 29.81  ?  703 HOH D O   1 
HETATM 4352 O O   . HOH M 5 .   ? -3.922  -4.399  -25.857 1.00 47.66  ?  704 HOH D O   1 
HETATM 4353 O O   . HOH M 5 .   ? -24.513 24.450  -0.630  1.00 27.04  ?  705 HOH D O   1 
HETATM 4354 O O   . HOH M 5 .   ? -27.953 24.538  -25.841 1.00 22.84  ?  706 HOH D O   1 
HETATM 4355 O O   . HOH M 5 .   ? -34.145 16.758  -15.410 1.00 12.83  ?  707 HOH D O   1 
HETATM 4356 O O   . HOH M 5 .   ? -18.287 24.175  -1.140  1.00 27.62  ?  708 HOH D O   1 
HETATM 4357 O O   . HOH M 5 .   ? -27.917 28.794  -26.674 1.00 50.28  ?  709 HOH D O   1 
HETATM 4358 O O   . HOH M 5 .   ? 0.261   19.918  -13.256 1.00 24.99  ?  710 HOH D O   1 
HETATM 4359 O O   . HOH M 5 .   ? -23.592 26.659  -6.834  1.00 20.34  ?  711 HOH D O   1 
HETATM 4360 O O   . HOH M 5 .   ? -22.506 33.022  -21.422 1.00 47.02  ?  712 HOH D O   1 
HETATM 4361 O O   . HOH M 5 .   ? -30.567 19.814  -29.281 1.00 35.44  ?  713 HOH D O   1 
HETATM 4362 O O   . HOH M 5 .   ? -16.681 23.826  -33.293 1.00 38.61  ?  714 HOH D O   1 
HETATM 4363 O O   . HOH M 5 .   ? -10.102 32.311  -31.329 1.00 48.85  ?  715 HOH D O   1 
HETATM 4364 O O   . HOH M 5 .   ? -0.248  22.837  -19.331 1.00 46.85  ?  716 HOH D O   1 
HETATM 4365 O O   . HOH M 5 .   ? -1.300  -3.027  -28.975 1.00 44.22  ?  717 HOH D O   1 
HETATM 4366 O O   . HOH M 5 .   ? -31.169 22.938  -32.277 1.00 45.31  ?  718 HOH D O   1 
HETATM 4367 O O   . HOH M 5 .   ? -1.733  23.806  -16.477 1.00 36.89  ?  719 HOH D O   1 
HETATM 4368 O O   . HOH M 5 .   ? -10.853 21.690  -10.571 1.00 39.60  ?  720 HOH D O   1 
HETATM 4369 O O   . HOH M 5 .   ? 3.175   22.722  -27.896 1.00 63.22  ?  721 HOH D O   1 
HETATM 4370 O O   . HOH M 5 .   ? -1.961  28.015  -29.356 1.00 41.39  ?  722 HOH D O   1 
HETATM 4371 O O   . HOH M 5 .   ? -24.390 5.911   -25.183 1.00 31.10  ?  723 HOH D O   1 
HETATM 4372 O O   . HOH M 5 .   ? -19.783 24.839  -30.534 1.00 26.21  ?  724 HOH D O   1 
HETATM 4373 O O   . HOH M 5 .   ? -34.252 11.616  -15.259 1.00 29.38  ?  725 HOH D O   1 
HETATM 4374 O O   . HOH M 5 .   ? -30.381 31.487  -16.372 1.00 54.98  ?  726 HOH D O   1 
HETATM 4375 O O   . HOH M 5 .   ? -15.639 25.754  -4.913  1.00 30.86  ?  727 HOH D O   1 
HETATM 4376 O O   . HOH M 5 .   ? -5.351  18.263  -31.134 1.00 39.99  ?  728 HOH D O   1 
HETATM 4377 O O   . HOH M 5 .   ? -12.310 24.489  -35.885 1.00 44.42  ?  729 HOH D O   1 
HETATM 4378 O O   . HOH M 5 .   ? -17.324 34.360  -18.319 1.00 43.34  ?  730 HOH D O   1 
HETATM 4379 O O   . HOH M 5 .   ? -23.712 25.995  -30.924 1.00 49.93  ?  731 HOH D O   1 
HETATM 4380 O O   . HOH M 5 .   ? -28.316 9.339   -30.879 1.00 44.73  ?  732 HOH D O   1 
HETATM 4381 O O   . HOH M 5 .   ? -35.059 22.294  -2.863  1.00 30.59  ?  733 HOH D O   1 
HETATM 4382 O O   . HOH M 5 .   ? -26.143 10.159  -31.754 1.00 47.85  ?  734 HOH D O   1 
HETATM 4383 O O   . HOH M 5 .   ? -24.255 30.752  -31.780 1.00 54.23  ?  735 HOH D O   1 
HETATM 4384 O O   . HOH M 5 .   ? -12.749 21.879  -33.929 1.00 49.20  ?  736 HOH D O   1 
HETATM 4385 O O   . HOH M 5 .   ? -4.365  15.358  -27.621 1.00 41.54  ?  737 HOH D O   1 
HETATM 4386 O O   . HOH M 5 .   ? -15.562 27.978  -11.895 1.00 47.94  ?  738 HOH D O   1 
HETATM 4387 O O   . HOH M 5 .   ? -32.208 20.722  -31.131 1.00 41.17  ?  739 HOH D O   1 
HETATM 4388 O O   . HOH M 5 .   ? -7.845  3.321   -23.693 1.00 40.15  ?  740 HOH D O   1 
HETATM 4389 O O   . HOH M 5 .   ? -11.109 2.326   -16.378 1.00 45.76  ?  741 HOH D O   1 
HETATM 4390 O O   . HOH M 5 .   ? -2.621  29.957  -28.200 1.00 50.14  ?  742 HOH D O   1 
HETATM 4391 O O   . HOH M 5 .   ? -31.958 27.512  -11.763 1.00 51.47  ?  743 HOH D O   1 
HETATM 4392 O O   . HOH M 5 .   ? 4.426   25.435  -26.262 1.00 61.83  ?  744 HOH D O   1 
HETATM 4393 O O   . HOH M 5 .   ? -30.184 24.009  -15.749 1.00 23.00  ?  745 HOH D O   1 
HETATM 4394 O O   . HOH M 5 .   ? -1.208  22.574  -13.012 1.00 45.88  ?  746 HOH D O   1 
HETATM 4395 O O   . HOH M 5 .   ? -27.619 24.923  -8.702  1.00 11.15  ?  747 HOH D O   1 
HETATM 4396 O O   . HOH M 5 .   ? -20.440 17.300  -1.636  1.00 28.64  ?  748 HOH D O   1 
HETATM 4397 O O   . HOH M 5 .   ? -27.483 26.460  -11.395 1.00 41.23  ?  749 HOH D O   1 
HETATM 4398 O O   . HOH M 5 .   ? -12.382 28.591  -15.418 1.00 36.69  ?  750 HOH D O   1 
HETATM 4399 O O   . HOH M 5 .   ? -7.697  11.039  -27.718 1.00 52.16  ?  751 HOH D O   1 
HETATM 4400 O O   . HOH M 5 .   ? -28.480 32.869  -16.276 1.00 43.98  ?  752 HOH D O   1 
HETATM 4401 O O   . HOH M 5 .   ? -33.770 20.703  -18.147 1.00 27.70  ?  753 HOH D O   1 
HETATM 4402 O O   . HOH M 5 .   ? -32.400 18.972  -22.043 1.00 37.85  ?  754 HOH D O   1 
HETATM 4403 O O   . HOH M 5 .   ? -1.870  20.396  -10.423 1.00 36.45  ?  755 HOH D O   1 
HETATM 4404 O O   . HOH M 5 .   ? -22.658 21.011  -30.819 1.00 26.62  ?  756 HOH D O   1 
HETATM 4405 O O   . HOH M 5 .   ? -7.171  28.366  -30.550 1.00 47.14  ?  757 HOH D O   1 
HETATM 4406 O O   . HOH M 5 .   ? -32.544 23.506  -17.042 1.00 32.04  ?  758 HOH D O   1 
HETATM 4407 O O   . HOH M 5 .   ? -16.656 23.467  -3.389  1.00 25.00  ?  759 HOH D O   1 
HETATM 4408 O O   . HOH M 5 .   ? 1.114   26.834  -30.512 1.00 51.30  ?  760 HOH D O   1 
HETATM 4409 O O   . HOH M 5 .   ? -20.431 23.237  -1.752  1.00 29.18  ?  761 HOH D O   1 
HETATM 4410 O O   . HOH M 5 .   ? -24.297 8.372   -32.112 1.00 38.90  ?  762 HOH D O   1 
HETATM 4411 O O   . HOH M 5 .   ? -7.458  24.551  -14.415 1.00 38.57  ?  763 HOH D O   1 
HETATM 4412 O O   . HOH M 5 .   ? -18.768 10.187  -0.967  1.00 31.88  ?  764 HOH D O   1 
HETATM 4413 O O   . HOH M 5 .   ? -0.660  -1.081  -34.835 1.00 28.82  ?  765 HOH D O   1 
HETATM 4414 O O   . HOH M 5 .   ? -11.782 2.346   -24.660 1.00 35.78  ?  766 HOH D O   1 
HETATM 4415 O O   . HOH M 5 .   ? -20.443 22.040  0.390   1.00 38.50  ?  767 HOH D O   1 
HETATM 4416 O O   . HOH M 5 .   ? -23.683 3.581   -29.194 1.00 46.69  ?  768 HOH D O   1 
HETATM 4417 O O   . HOH M 5 .   ? -33.434 21.200  -21.106 1.00 48.25  ?  769 HOH D 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   . ALA A 7   ? 0.3197 0.3252 0.3137 -0.0032 -0.0005 -0.0359 251 ALA A N   
2    C CA  . ALA A 7   ? 0.2815 0.2829 0.2773 -0.0045 0.0005  -0.0323 251 ALA A CA  
3    C C   . ALA A 7   ? 0.2458 0.2425 0.2439 -0.0052 0.0013  -0.0332 251 ALA A C   
4    O O   . ALA A 7   ? 0.2623 0.2576 0.2624 -0.0059 0.0008  -0.0367 251 ALA A O   
5    C CB  . ALA A 7   ? 0.2917 0.2932 0.2895 -0.0063 -0.0001 -0.0315 251 ALA A CB  
6    N N   . ALA A 8   ? 0.2080 0.2022 0.2060 -0.0050 0.0027  -0.0299 252 ALA A N   
7    C CA  . ALA A 8   ? 0.1881 0.1781 0.1880 -0.0052 0.0037  -0.0299 252 ALA A CA  
8    C C   . ALA A 8   ? 0.1800 0.1667 0.1838 -0.0074 0.0036  -0.0303 252 ALA A C   
9    O O   . ALA A 8   ? 0.1687 0.1560 0.1736 -0.0087 0.0033  -0.0289 252 ALA A O   
10   C CB  . ALA A 8   ? 0.1874 0.1768 0.1862 -0.0045 0.0049  -0.0262 252 ALA A CB  
11   N N   . GLU A 9   ? 0.1851 0.1682 0.1912 -0.0077 0.0041  -0.0321 253 GLU A N   
12   C CA  . GLU A 9   ? 0.1858 0.1654 0.1962 -0.0097 0.0044  -0.0320 253 GLU A CA  
13   C C   . GLU A 9   ? 0.1673 0.1458 0.1784 -0.0101 0.0055  -0.0277 253 GLU A C   
14   O O   . GLU A 9   ? 0.1562 0.1341 0.1699 -0.0117 0.0054  -0.0266 253 GLU A O   
15   C CB  . GLU A 9   ? 0.2081 0.1835 0.2207 -0.0097 0.0049  -0.0343 253 GLU A CB  
16   C CG  . GLU A 9   ? 0.2237 0.2001 0.2362 -0.0095 0.0034  -0.0393 253 GLU A CG  
17   C CD  . GLU A 9   ? 0.2430 0.2209 0.2582 -0.0117 0.0019  -0.0414 253 GLU A CD  
18   O OE1 . GLU A 9   ? 0.2618 0.2375 0.2810 -0.0138 0.0022  -0.0402 253 GLU A OE1 
19   O OE2 . GLU A 9   ? 0.2806 0.2625 0.2938 -0.0110 0.0005  -0.0442 253 GLU A OE2 
20   N N   . ALA A 10  ? 0.1495 0.1284 0.1580 -0.0087 0.0062  -0.0253 254 ALA A N   
21   C CA  . ALA A 10  ? 0.1481 0.1263 0.1568 -0.0087 0.0070  -0.0216 254 ALA A CA  
22   C C   . ALA A 10  ? 0.1491 0.1298 0.1573 -0.0095 0.0061  -0.0203 254 ALA A C   
23   O O   . ALA A 10  ? 0.1547 0.1347 0.1638 -0.0098 0.0065  -0.0178 254 ALA A O   
24   C CB  . ALA A 10  ? 0.1412 0.1199 0.1475 -0.0072 0.0077  -0.0199 254 ALA A CB  
25   N N   . SER A 11  ? 0.1561 0.1398 0.1624 -0.0094 0.0050  -0.0219 255 SER A N   
26   C CA  . SER A 11  ? 0.1623 0.1486 0.1679 -0.0097 0.0041  -0.0209 255 SER A CA  
27   C C   . SER A 11  ? 0.1776 0.1641 0.1863 -0.0113 0.0036  -0.0219 255 SER A C   
28   O O   . SER A 11  ? 0.1677 0.1562 0.1762 -0.0116 0.0031  -0.0206 255 SER A O   
29   C CB  . SER A 11  ? 0.1667 0.1566 0.1693 -0.0087 0.0032  -0.0220 255 SER A CB  
30   O OG  . SER A 11  ? 0.1645 0.1561 0.1677 -0.0091 0.0023  -0.0254 255 SER A OG  
31   N N   . LYS A 12  ? 0.1917 0.1763 0.2032 -0.0124 0.0038  -0.0240 256 LYS A N   
32   C CA  . LYS A 12  ? 0.2066 0.1918 0.2217 -0.0142 0.0032  -0.0252 256 LYS A CA  
33   C C   . LYS A 12  ? 0.2260 0.2093 0.2441 -0.0151 0.0043  -0.0224 256 LYS A C   
34   O O   . LYS A 12  ? 0.2384 0.2229 0.2596 -0.0166 0.0041  -0.0223 256 LYS A O   
35   C CB  . LYS A 12  ? 0.2217 0.2058 0.2388 -0.0150 0.0027  -0.0291 256 LYS A CB  
36   C CG  . LYS A 12  ? 0.2438 0.2314 0.2579 -0.0140 0.0014  -0.0320 256 LYS A CG  
37   C CD  . LYS A 12  ? 0.2608 0.2479 0.2763 -0.0144 0.0004  -0.0365 256 LYS A CD  
38   C CE  . LYS A 12  ? 0.2790 0.2701 0.2903 -0.0125 -0.0005 -0.0388 256 LYS A CE  
39   N NZ  . LYS A 12  ? 0.2923 0.2832 0.3046 -0.0125 -0.0016 -0.0436 256 LYS A NZ  
40   N N   . LYS A 13  ? 0.2594 0.2404 0.2768 -0.0141 0.0055  -0.0199 257 LYS A N   
41   C CA  . LYS A 13  ? 0.2638 0.2440 0.2830 -0.0142 0.0065  -0.0168 257 LYS A CA  
42   C C   . LYS A 13  ? 0.2274 0.2109 0.2450 -0.0139 0.0058  -0.0151 257 LYS A C   
43   O O   . LYS A 13  ? 0.2249 0.2103 0.2391 -0.0129 0.0050  -0.0154 257 LYS A O   
44   C CB  . LYS A 13  ? 0.3031 0.2811 0.3208 -0.0128 0.0076  -0.0148 257 LYS A CB  
45   C CG  . LYS A 13  ? 0.3522 0.3267 0.3716 -0.0128 0.0086  -0.0158 257 LYS A CG  
46   C CD  . LYS A 13  ? 0.4048 0.3772 0.4283 -0.0135 0.0098  -0.0139 257 LYS A CD  
47   C CE  . LYS A 13  ? 0.4553 0.4239 0.4813 -0.0138 0.0107  -0.0151 257 LYS A CE  
48   N NZ  . LYS A 13  ? 0.4890 0.4556 0.5187 -0.0142 0.0122  -0.0125 257 LYS A NZ  
49   N N   . PRO A 14  ? 0.1871 0.1716 0.2072 -0.0144 0.0063  -0.0131 258 PRO A N   
50   C CA  . PRO A 14  ? 0.1714 0.1586 0.1895 -0.0133 0.0059  -0.0112 258 PRO A CA  
51   C C   . PRO A 14  ? 0.1471 0.1332 0.1617 -0.0115 0.0059  -0.0098 258 PRO A C   
52   O O   . PRO A 14  ? 0.1365 0.1201 0.1513 -0.0111 0.0068  -0.0092 258 PRO A O   
53   C CB  . PRO A 14  ? 0.1829 0.1710 0.2046 -0.0138 0.0068  -0.0089 258 PRO A CB  
54   C CG  . PRO A 14  ? 0.1952 0.1814 0.2215 -0.0158 0.0075  -0.0100 258 PRO A CG  
55   C CD  . PRO A 14  ? 0.1963 0.1793 0.2211 -0.0157 0.0074  -0.0123 258 PRO A CD  
56   N N   A ARG A 15  ? 0.1374 0.1254 0.1489 -0.0104 0.0049  -0.0095 259 ARG A N   
57   N N   B ARG A 15  ? 0.1386 0.1266 0.1501 -0.0104 0.0049  -0.0095 259 ARG A N   
58   C CA  A ARG A 15  ? 0.1341 0.1209 0.1424 -0.0090 0.0046  -0.0086 259 ARG A CA  
59   C CA  B ARG A 15  ? 0.1361 0.1229 0.1444 -0.0090 0.0047  -0.0086 259 ARG A CA  
60   C C   A ARG A 15  ? 0.1311 0.1163 0.1402 -0.0083 0.0056  -0.0067 259 ARG A C   
61   C C   B ARG A 15  ? 0.1321 0.1173 0.1412 -0.0083 0.0056  -0.0067 259 ARG A C   
62   O O   A ARG A 15  ? 0.1293 0.1128 0.1375 -0.0078 0.0059  -0.0066 259 ARG A O   
63   O O   B ARG A 15  ? 0.1304 0.1139 0.1385 -0.0078 0.0059  -0.0066 259 ARG A O   
64   C CB  A ARG A 15  ? 0.1380 0.1266 0.1437 -0.0079 0.0035  -0.0079 259 ARG A CB  
65   C CB  B ARG A 15  ? 0.1417 0.1306 0.1476 -0.0080 0.0035  -0.0081 259 ARG A CB  
66   C CG  A ARG A 15  ? 0.1372 0.1245 0.1400 -0.0068 0.0029  -0.0073 259 ARG A CG  
67   C CG  B ARG A 15  ? 0.1426 0.1306 0.1454 -0.0070 0.0027  -0.0079 259 ARG A CG  
68   C CD  A ARG A 15  ? 0.1392 0.1277 0.1399 -0.0055 0.0018  -0.0067 259 ARG A CD  
69   C CD  B ARG A 15  ? 0.1446 0.1345 0.1455 -0.0062 0.0016  -0.0078 259 ARG A CD  
70   N NE  A ARG A 15  ? 0.1441 0.1311 0.1425 -0.0048 0.0010  -0.0063 259 ARG A NE  
71   N NE  B ARG A 15  ? 0.1452 0.1339 0.1435 -0.0053 0.0009  -0.0074 259 ARG A NE  
72   C CZ  A ARG A 15  ? 0.1393 0.1254 0.1363 -0.0036 0.0002  -0.0054 259 ARG A CZ  
73   C CZ  B ARG A 15  ? 0.1480 0.1370 0.1452 -0.0055 0.0007  -0.0080 259 ARG A CZ  
74   N NH1 A ARG A 15  ? 0.1529 0.1400 0.1497 -0.0025 0.0000  -0.0049 259 ARG A NH1 
75   N NH1 B ARG A 15  ? 0.1511 0.1388 0.1467 -0.0050 0.0003  -0.0071 259 ARG A NH1 
76   N NH2 A ARG A 15  ? 0.1308 0.1153 0.1267 -0.0035 -0.0003 -0.0051 259 ARG A NH2 
77   N NH2 B ARG A 15  ? 0.1533 0.1440 0.1510 -0.0062 0.0009  -0.0095 259 ARG A NH2 
78   N N   . GLN A 16  ? 0.1278 0.1139 0.1386 -0.0080 0.0062  -0.0051 260 GLN A N   
79   C CA  . GLN A 16  ? 0.1232 0.1087 0.1342 -0.0067 0.0070  -0.0031 260 GLN A CA  
80   C C   . GLN A 16  ? 0.1177 0.1008 0.1308 -0.0072 0.0084  -0.0028 260 GLN A C   
81   O O   . GLN A 16  ? 0.1173 0.0998 0.1302 -0.0060 0.0090  -0.0013 260 GLN A O   
82   C CB  . GLN A 16  ? 0.1211 0.1090 0.1333 -0.0059 0.0074  -0.0011 260 GLN A CB  
83   C CG  . GLN A 16  ? 0.1187 0.1073 0.1350 -0.0072 0.0086  -0.0004 260 GLN A CG  
84   C CD  . GLN A 16  ? 0.1183 0.1087 0.1356 -0.0087 0.0079  -0.0019 260 GLN A CD  
85   O OE1 . GLN A 16  ? 0.1234 0.1146 0.1383 -0.0087 0.0066  -0.0035 260 GLN A OE1 
86   N NE2 . GLN A 16  ? 0.1176 0.1093 0.1390 -0.0100 0.0088  -0.0011 260 GLN A NE2 
87   N N   . LYS A 17  ? 0.1211 0.1030 0.1363 -0.0088 0.0087  -0.0044 261 LYS A N   
88   C CA  . LYS A 17  ? 0.1274 0.1066 0.1447 -0.0091 0.0100  -0.0045 261 LYS A CA  
89   C C   . LYS A 17  ? 0.1292 0.1069 0.1445 -0.0091 0.0096  -0.0065 261 LYS A C   
90   O O   . LYS A 17  ? 0.1363 0.1117 0.1530 -0.0091 0.0105  -0.0069 261 LYS A O   
91   C CB  . LYS A 17  ? 0.1316 0.1099 0.1529 -0.0108 0.0107  -0.0051 261 LYS A CB  
92   C CG  . LYS A 17  ? 0.1300 0.1097 0.1542 -0.0108 0.0116  -0.0024 261 LYS A CG  
93   C CD  . LYS A 17  ? 0.1307 0.1100 0.1548 -0.0090 0.0129  0.0005  261 LYS A CD  
94   C CE  . LYS A 17  ? 0.1341 0.1146 0.1617 -0.0091 0.0143  0.0032  261 LYS A CE  
95   N NZ  . LYS A 17  ? 0.1348 0.1164 0.1619 -0.0068 0.0154  0.0063  261 LYS A NZ  
96   N N   . ARG A 18  ? 0.1274 0.1065 0.1398 -0.0089 0.0083  -0.0075 262 ARG A N   
97   C CA  . ARG A 18  ? 0.1270 0.1054 0.1376 -0.0086 0.0081  -0.0088 262 ARG A CA  
98   C C   . ARG A 18  ? 0.1232 0.1008 0.1330 -0.0074 0.0087  -0.0073 262 ARG A C   
99   O O   . ARG A 18  ? 0.1190 0.0971 0.1286 -0.0066 0.0087  -0.0054 262 ARG A O   
100  C CB  . ARG A 18  ? 0.1232 0.1036 0.1310 -0.0085 0.0068  -0.0096 262 ARG A CB  
101  C CG  . ARG A 18  ? 0.1287 0.1105 0.1370 -0.0094 0.0061  -0.0116 262 ARG A CG  
102  C CD  . ARG A 18  ? 0.1362 0.1203 0.1418 -0.0090 0.0049  -0.0117 262 ARG A CD  
103  N NE  . ARG A 18  ? 0.1458 0.1318 0.1517 -0.0097 0.0042  -0.0137 262 ARG A NE  
104  C CZ  . ARG A 18  ? 0.1656 0.1540 0.1694 -0.0092 0.0032  -0.0140 262 ARG A CZ  
105  N NH1 . ARG A 18  ? 0.1760 0.1646 0.1773 -0.0082 0.0028  -0.0124 262 ARG A NH1 
106  N NH2 . ARG A 18  ? 0.1787 0.1692 0.1829 -0.0098 0.0026  -0.0161 262 ARG A NH2 
107  N N   . THR A 19  ? 0.1228 0.0996 0.1319 -0.0070 0.0091  -0.0082 263 THR A N   
108  C CA  . THR A 19  ? 0.1302 0.1069 0.1386 -0.0059 0.0095  -0.0068 263 THR A CA  
109  C C   . THR A 19  ? 0.1284 0.1063 0.1347 -0.0057 0.0090  -0.0075 263 THR A C   
110  O O   . THR A 19  ? 0.1251 0.1029 0.1312 -0.0057 0.0093  -0.0092 263 THR A O   
111  C CB  . THR A 19  ? 0.1338 0.1085 0.1440 -0.0053 0.0110  -0.0065 263 THR A CB  
112  O OG1 . THR A 19  ? 0.1487 0.1224 0.1612 -0.0056 0.0117  -0.0055 263 THR A OG1 
113  C CG2 . THR A 19  ? 0.1348 0.1102 0.1442 -0.0041 0.0114  -0.0049 263 THR A CG2 
114  N N   . ALA A 20  ? 0.1228 0.1020 0.1278 -0.0054 0.0083  -0.0061 264 ALA A N   
115  C CA  . ALA A 20  ? 0.1245 0.1052 0.1281 -0.0053 0.0080  -0.0061 264 ALA A CA  
116  C C   . ALA A 20  ? 0.1266 0.1075 0.1306 -0.0044 0.0090  -0.0056 264 ALA A C   
117  O O   . ALA A 20  ? 0.1311 0.1114 0.1362 -0.0039 0.0095  -0.0045 264 ALA A O   
118  C CB  . ALA A 20  ? 0.1186 0.1003 0.1213 -0.0055 0.0068  -0.0048 264 ALA A CB  
119  N N   . THR A 21  ? 0.1311 0.1133 0.1342 -0.0040 0.0093  -0.0063 265 THR A N   
120  C CA  . THR A 21  ? 0.1418 0.1249 0.1449 -0.0030 0.0103  -0.0058 265 THR A CA  
121  C C   . THR A 21  ? 0.1534 0.1394 0.1552 -0.0028 0.0100  -0.0054 265 THR A C   
122  O O   . THR A 21  ? 0.1449 0.1316 0.1456 -0.0034 0.0092  -0.0055 265 THR A O   
123  C CB  . THR A 21  ? 0.1449 0.1264 0.1485 -0.0021 0.0113  -0.0076 265 THR A CB  
124  O OG1 . THR A 21  ? 0.1535 0.1353 0.1560 -0.0023 0.0109  -0.0099 265 THR A OG1 
125  C CG2 . THR A 21  ? 0.1499 0.1286 0.1553 -0.0023 0.0118  -0.0076 265 THR A CG2 
126  N N   . LYS A 22  ? 0.1711 0.1589 0.1727 -0.0017 0.0109  -0.0048 266 LYS A N   
127  C CA  . LYS A 22  ? 0.2030 0.1940 0.2034 -0.0011 0.0111  -0.0042 266 LYS A CA  
128  C C   . LYS A 22  ? 0.1783 0.1698 0.1769 -0.0007 0.0108  -0.0064 266 LYS A C   
129  O O   . LYS A 22  ? 0.1684 0.1623 0.1659 -0.0007 0.0104  -0.0056 266 LYS A O   
130  C CB  . LYS A 22  ? 0.2621 0.2552 0.2627 0.0003  0.0123  -0.0035 266 LYS A CB  
131  C CG  . LYS A 22  ? 0.3492 0.3465 0.3494 0.0008  0.0126  -0.0015 266 LYS A CG  
132  C CD  . LYS A 22  ? 0.4040 0.4037 0.4052 0.0020  0.0138  0.0000  266 LYS A CD  
133  C CE  . LYS A 22  ? 0.4584 0.4572 0.4618 0.0012  0.0135  0.0014  266 LYS A CE  
134  N NZ  . LYS A 22  ? 0.5226 0.5249 0.5274 0.0018  0.0142  0.0037  266 LYS A NZ  
135  N N   . ALA A 23  ? 0.1642 0.1536 0.1628 -0.0004 0.0110  -0.0091 267 ALA A N   
136  C CA  . ALA A 23  ? 0.1602 0.1502 0.1574 0.0000  0.0105  -0.0118 267 ALA A CA  
137  C C   . ALA A 23  ? 0.1569 0.1467 0.1539 -0.0014 0.0093  -0.0121 267 ALA A C   
138  O O   . ALA A 23  ? 0.1506 0.1424 0.1461 -0.0010 0.0088  -0.0137 267 ALA A O   
139  C CB  . ALA A 23  ? 0.1617 0.1490 0.1596 0.0004  0.0109  -0.0147 267 ALA A CB  
140  N N   . TYR A 24  ? 0.1475 0.1352 0.1459 -0.0027 0.0089  -0.0109 268 TYR A N   
141  C CA  . TYR A 24  ? 0.1406 0.1279 0.1389 -0.0038 0.0079  -0.0113 268 TYR A CA  
142  C C   . TYR A 24  ? 0.1377 0.1239 0.1368 -0.0046 0.0075  -0.0088 268 TYR A C   
143  O O   . TYR A 24  ? 0.1376 0.1217 0.1382 -0.0049 0.0077  -0.0085 268 TYR A O   
144  C CB  . TYR A 24  ? 0.1459 0.1312 0.1455 -0.0044 0.0077  -0.0138 268 TYR A CB  
145  C CG  . TYR A 24  ? 0.1445 0.1297 0.1444 -0.0055 0.0067  -0.0142 268 TYR A CG  
146  C CD1 . TYR A 24  ? 0.1475 0.1352 0.1458 -0.0054 0.0059  -0.0150 268 TYR A CD1 
147  C CD2 . TYR A 24  ? 0.1392 0.1223 0.1411 -0.0064 0.0068  -0.0136 268 TYR A CD2 
148  C CE1 . TYR A 24  ? 0.1471 0.1352 0.1457 -0.0062 0.0050  -0.0153 268 TYR A CE1 
149  C CE2 . TYR A 24  ? 0.1443 0.1279 0.1465 -0.0073 0.0060  -0.0138 268 TYR A CE2 
150  C CZ  . TYR A 24  ? 0.1485 0.1346 0.1491 -0.0072 0.0050  -0.0147 268 TYR A CZ  
151  O OH  . TYR A 24  ? 0.1443 0.1315 0.1453 -0.0078 0.0042  -0.0148 268 TYR A OH  
152  N N   . ASN A 25  ? 0.1464 0.1341 0.1445 -0.0046 0.0069  -0.0070 269 ASN A N   
153  C CA  . ASN A 25  ? 0.1459 0.1330 0.1449 -0.0050 0.0066  -0.0047 269 ASN A CA  
154  C C   . ASN A 25  ? 0.1359 0.1215 0.1350 -0.0057 0.0055  -0.0046 269 ASN A C   
155  O O   . ASN A 25  ? 0.1267 0.1121 0.1254 -0.0059 0.0052  -0.0060 269 ASN A O   
156  C CB  . ASN A 25  ? 0.1545 0.1439 0.1531 -0.0048 0.0068  -0.0028 269 ASN A CB  
157  C CG  . ASN A 25  ? 0.1611 0.1517 0.1585 -0.0048 0.0061  -0.0022 269 ASN A CG  
158  O OD1 . ASN A 25  ? 0.1609 0.1503 0.1578 -0.0052 0.0052  -0.0027 269 ASN A OD1 
159  N ND2 . ASN A 25  ? 0.1682 0.1614 0.1651 -0.0043 0.0066  -0.0007 269 ASN A ND2 
160  N N   . VAL A 26  ? 0.1284 0.1133 0.1282 -0.0060 0.0049  -0.0030 270 VAL A N   
161  C CA  . VAL A 26  ? 0.1301 0.1136 0.1299 -0.0062 0.0039  -0.0030 270 VAL A CA  
162  C C   . VAL A 26  ? 0.1318 0.1156 0.1301 -0.0062 0.0031  -0.0032 270 VAL A C   
163  O O   . VAL A 26  ? 0.1190 0.1024 0.1170 -0.0061 0.0026  -0.0040 270 VAL A O   
164  C CB  . VAL A 26  ? 0.1304 0.1131 0.1310 -0.0063 0.0031  -0.0016 270 VAL A CB  
165  C CG1 . VAL A 26  ? 0.1330 0.1145 0.1332 -0.0062 0.0018  -0.0018 270 VAL A CG1 
166  C CG2 . VAL A 26  ? 0.1387 0.1215 0.1407 -0.0061 0.0039  -0.0015 270 VAL A CG2 
167  N N   . THR A 27  ? 0.1266 0.1116 0.1242 -0.0062 0.0030  -0.0023 271 THR A N   
168  C CA  . THR A 27  ? 0.1298 0.1154 0.1259 -0.0059 0.0024  -0.0022 271 THR A CA  
169  C C   . THR A 27  ? 0.1382 0.1253 0.1334 -0.0055 0.0027  -0.0042 271 THR A C   
170  O O   . THR A 27  ? 0.1353 0.1225 0.1298 -0.0054 0.0020  -0.0048 271 THR A O   
171  C CB  . THR A 27  ? 0.1333 0.1203 0.1290 -0.0057 0.0026  -0.0003 271 THR A CB  
172  O OG1 . THR A 27  ? 0.1420 0.1276 0.1393 -0.0063 0.0021  0.0013  271 THR A OG1 
173  C CG2 . THR A 27  ? 0.1394 0.1273 0.1335 -0.0051 0.0021  0.0001  271 THR A CG2 
174  N N   . GLN A 28  ? 0.1409 0.1292 0.1363 -0.0054 0.0036  -0.0053 272 GLN A N   
175  C CA  . GLN A 28  ? 0.1555 0.1452 0.1504 -0.0052 0.0038  -0.0076 272 GLN A CA  
176  C C   . GLN A 28  ? 0.1479 0.1362 0.1441 -0.0059 0.0035  -0.0089 272 GLN A C   
177  O O   . GLN A 28  ? 0.1328 0.1221 0.1288 -0.0061 0.0030  -0.0102 272 GLN A O   
178  C CB  . GLN A 28  ? 0.1764 0.1672 0.1714 -0.0048 0.0047  -0.0088 272 GLN A CB  
179  C CG  . GLN A 28  ? 0.2026 0.1960 0.1962 -0.0038 0.0052  -0.0076 272 GLN A CG  
180  C CD  . GLN A 28  ? 0.2371 0.2316 0.2305 -0.0029 0.0062  -0.0086 272 GLN A CD  
181  O OE1 . GLN A 28  ? 0.2261 0.2195 0.2208 -0.0030 0.0069  -0.0080 272 GLN A OE1 
182  N NE2 . GLN A 28  ? 0.2709 0.2683 0.2628 -0.0018 0.0062  -0.0104 272 GLN A NE2 
183  N N   . ALA A 29  ? 0.1379 0.1241 0.1357 -0.0063 0.0039  -0.0082 273 ALA A N   
184  C CA  . ALA A 29  ? 0.1320 0.1170 0.1313 -0.0068 0.0040  -0.0089 273 ALA A CA  
185  C C   . ALA A 29  ? 0.1322 0.1172 0.1311 -0.0067 0.0032  -0.0080 273 ALA A C   
186  O O   . ALA A 29  ? 0.1198 0.1054 0.1196 -0.0069 0.0030  -0.0087 273 ALA A O   
187  C CB  . ALA A 29  ? 0.1366 0.1199 0.1374 -0.0068 0.0050  -0.0084 273 ALA A CB  
188  N N   . PHE A 30  ? 0.1330 0.1174 0.1310 -0.0062 0.0025  -0.0064 274 PHE A N   
189  C CA  . PHE A 30  ? 0.1279 0.1117 0.1256 -0.0057 0.0017  -0.0057 274 PHE A CA  
190  C C   . PHE A 30  ? 0.1402 0.1240 0.1361 -0.0052 0.0006  -0.0050 274 PHE A C   
191  O O   . PHE A 30  ? 0.1429 0.1260 0.1384 -0.0045 -0.0002 -0.0046 274 PHE A O   
192  C CB  . PHE A 30  ? 0.1220 0.1044 0.1206 -0.0054 0.0018  -0.0048 274 PHE A CB  
193  C CG  . PHE A 30  ? 0.1177 0.0999 0.1180 -0.0057 0.0031  -0.0051 274 PHE A CG  
194  C CD1 . PHE A 30  ? 0.1150 0.0976 0.1166 -0.0059 0.0037  -0.0056 274 PHE A CD1 
195  C CD2 . PHE A 30  ? 0.1139 0.0955 0.1150 -0.0057 0.0037  -0.0045 274 PHE A CD2 
196  C CE1 . PHE A 30  ? 0.1146 0.0965 0.1181 -0.0062 0.0049  -0.0057 274 PHE A CE1 
197  C CE2 . PHE A 30  ? 0.1137 0.0948 0.1164 -0.0057 0.0050  -0.0046 274 PHE A CE2 
198  C CZ  . PHE A 30  ? 0.1123 0.0932 0.1162 -0.0060 0.0056  -0.0052 274 PHE A CZ  
199  N N   . GLY A 31  ? 0.1523 0.1370 0.1474 -0.0052 0.0007  -0.0049 275 GLY A N   
200  C CA  . GLY A 31  ? 0.1677 0.1522 0.1613 -0.0046 -0.0001 -0.0039 275 GLY A CA  
201  C C   . GLY A 31  ? 0.1802 0.1628 0.1742 -0.0048 -0.0005 -0.0022 275 GLY A C   
202  O O   . GLY A 31  ? 0.1704 0.1519 0.1657 -0.0053 -0.0004 -0.0020 275 GLY A O   
203  N N   . ARG A 32  ? 0.1803 0.1628 0.1735 -0.0045 -0.0009 -0.0010 276 ARG A N   
204  C CA  . ARG A 32  ? 0.2128 0.1933 0.2068 -0.0049 -0.0015 0.0006  276 ARG A CA  
205  C C   . ARG A 32  ? 0.1690 0.1470 0.1636 -0.0047 -0.0027 0.0001  276 ARG A C   
206  O O   . ARG A 32  ? 0.1477 0.1252 0.1411 -0.0038 -0.0034 -0.0007 276 ARG A O   
207  C CB  . ARG A 32  ? 0.2704 0.2507 0.2636 -0.0044 -0.0018 0.0022  276 ARG A CB  
208  C CG  . ARG A 32  ? 0.3408 0.3238 0.3338 -0.0044 -0.0006 0.0034  276 ARG A CG  
209  C CD  . ARG A 32  ? 0.4252 0.4077 0.4176 -0.0037 -0.0009 0.0056  276 ARG A CD  
210  N NE  . ARG A 32  ? 0.4989 0.4851 0.4901 -0.0029 0.0001  0.0064  276 ARG A NE  
211  C CZ  . ARG A 32  ? 0.6139 0.6013 0.6057 -0.0028 0.0009  0.0091  276 ARG A CZ  
212  N NH1 . ARG A 32  ? 0.5858 0.5704 0.5797 -0.0037 0.0005  0.0114  276 ARG A NH1 
213  N NH2 . ARG A 32  ? 0.6322 0.6238 0.6226 -0.0017 0.0020  0.0096  276 ARG A NH2 
214  N N   . ARG A 33  ? 0.1478 0.1245 0.1441 -0.0055 -0.0031 0.0006  277 ARG A N   
215  C CA  . ARG A 33  ? 0.1474 0.1218 0.1441 -0.0053 -0.0045 0.0001  277 ARG A CA  
216  C C   . ARG A 33  ? 0.1668 0.1388 0.1627 -0.0046 -0.0059 0.0005  277 ARG A C   
217  O O   . ARG A 33  ? 0.1623 0.1340 0.1583 -0.0050 -0.0056 0.0021  277 ARG A O   
218  C CB  . ARG A 33  ? 0.1377 0.1118 0.1368 -0.0064 -0.0048 0.0007  277 ARG A CB  
219  C CG  . ARG A 33  ? 0.1307 0.1063 0.1305 -0.0064 -0.0041 0.0000  277 ARG A CG  
220  C CD  . ARG A 33  ? 0.1255 0.1034 0.1254 -0.0066 -0.0022 0.0000  277 ARG A CD  
221  N NE  . ARG A 33  ? 0.1195 0.0981 0.1177 -0.0059 -0.0016 -0.0009 277 ARG A NE  
222  C CZ  . ARG A 33  ? 0.1152 0.0939 0.1130 -0.0052 -0.0016 -0.0019 277 ARG A CZ  
223  N NH1 . ARG A 33  ? 0.1108 0.0892 0.1093 -0.0048 -0.0020 -0.0021 277 ARG A NH1 
224  N NH2 . ARG A 33  ? 0.1120 0.0916 0.1088 -0.0048 -0.0011 -0.0026 277 ARG A NH2 
225  N N   . GLY A 34  ? 0.1755 0.1459 0.1705 -0.0035 -0.0072 -0.0007 278 GLY A N   
226  C CA  . GLY A 34  ? 0.1831 0.1506 0.1773 -0.0027 -0.0087 -0.0005 278 GLY A CA  
227  C C   . GLY A 34  ? 0.1960 0.1619 0.1891 -0.0011 -0.0103 -0.0023 278 GLY A C   
228  O O   . GLY A 34  ? 0.2017 0.1690 0.1948 -0.0007 -0.0103 -0.0035 278 GLY A O   
229  N N   . PRO A 35  ? 0.2133 0.1761 0.2055 0.0000  -0.0118 -0.0025 279 PRO A N   
230  C CA  . PRO A 35  ? 0.2330 0.1941 0.2240 0.0018  -0.0136 -0.0045 279 PRO A CA  
231  C C   . PRO A 35  ? 0.2513 0.2144 0.2396 0.0042  -0.0134 -0.0055 279 PRO A C   
232  O O   . PRO A 35  ? 0.2454 0.2077 0.2325 0.0061  -0.0148 -0.0071 279 PRO A O   
233  C CB  . PRO A 35  ? 0.2324 0.1888 0.2239 0.0018  -0.0151 -0.0041 279 PRO A CB  
234  C CG  . PRO A 35  ? 0.2392 0.1963 0.2302 0.0016  -0.0137 -0.0019 279 PRO A CG  
235  C CD  . PRO A 35  ? 0.2228 0.1836 0.2151 -0.0002 -0.0118 -0.0009 279 PRO A CD  
236  N N   . GLU A 36  ? 0.2620 0.2278 0.2493 0.0042  -0.0119 -0.0046 280 GLU A N   
237  C CA  . GLU A 36  ? 0.2720 0.2398 0.2570 0.0064  -0.0118 -0.0051 280 GLU A CA  
238  C C   . GLU A 36  ? 0.3112 0.2824 0.2962 0.0070  -0.0111 -0.0059 280 GLU A C   
239  O O   . GLU A 36  ? 0.2772 0.2494 0.2638 0.0056  -0.0104 -0.0059 280 GLU A O   
240  C CB  . GLU A 36  ? 0.2662 0.2360 0.2506 0.0062  -0.0106 -0.0039 280 GLU A CB  
241  C CG  . GLU A 36  ? 0.2594 0.2262 0.2436 0.0061  -0.0110 -0.0026 280 GLU A CG  
242  C CD  . GLU A 36  ? 0.2774 0.2403 0.2603 0.0081  -0.0128 -0.0032 280 GLU A CD  
243  O OE1 . GLU A 36  ? 0.2748 0.2382 0.2560 0.0102  -0.0136 -0.0046 280 GLU A OE1 
244  O OE2 . GLU A 36  ? 0.2909 0.2501 0.2748 0.0075  -0.0134 -0.0021 280 GLU A OE2 
245  N N   . GLN A 37  ? 0.3425 0.3158 0.3257 0.0092  -0.0112 -0.0064 281 GLN A N   
246  C CA  . GLN A 37  ? 0.4181 0.3940 0.4010 0.0105  -0.0110 -0.0071 281 GLN A CA  
247  C C   . GLN A 37  ? 0.4199 0.3988 0.4049 0.0086  -0.0092 -0.0063 281 GLN A C   
248  O O   . GLN A 37  ? 0.5202 0.5001 0.5059 0.0089  -0.0089 -0.0065 281 GLN A O   
249  C CB  . GLN A 37  ? 0.5087 0.4873 0.4896 0.0131  -0.0111 -0.0073 281 GLN A CB  
250  C CG  . GLN A 37  ? 0.5803 0.5609 0.5604 0.0155  -0.0115 -0.0080 281 GLN A CG  
251  C CD  . GLN A 37  ? 0.6725 0.6496 0.6521 0.0163  -0.0134 -0.0095 281 GLN A CD  
252  O OE1 . GLN A 37  ? 0.6108 0.5888 0.5913 0.0161  -0.0134 -0.0098 281 GLN A OE1 
253  N NE2 . GLN A 37  ? 0.7435 0.7166 0.7218 0.0171  -0.0151 -0.0105 281 GLN A NE2 
254  N N   . THR A 38  ? 0.4116 0.3918 0.3975 0.0070  -0.0079 -0.0055 282 THR A N   
255  C CA  . THR A 38  ? 0.4007 0.3833 0.3887 0.0054  -0.0062 -0.0051 282 THR A CA  
256  C C   . THR A 38  ? 0.3438 0.3251 0.3330 0.0030  -0.0056 -0.0047 282 THR A C   
257  O O   . THR A 38  ? 0.3600 0.3431 0.3507 0.0017  -0.0042 -0.0046 282 THR A O   
258  C CB  . THR A 38  ? 0.4390 0.4253 0.4270 0.0059  -0.0053 -0.0048 282 THR A CB  
259  O OG1 . THR A 38  ? 0.4155 0.4023 0.4025 0.0061  -0.0057 -0.0048 282 THR A OG1 
260  C CG2 . THR A 38  ? 0.3803 0.3686 0.3674 0.0083  -0.0057 -0.0047 282 THR A CG2 
261  N N   . GLN A 39  ? 0.2911 0.2695 0.2800 0.0026  -0.0065 -0.0046 283 GLN A N   
262  C CA  . GLN A 39  ? 0.2514 0.2289 0.2417 0.0007  -0.0058 -0.0040 283 GLN A CA  
263  C C   . GLN A 39  ? 0.1955 0.1723 0.1872 0.0002  -0.0059 -0.0042 283 GLN A C   
264  O O   . GLN A 39  ? 0.1942 0.1700 0.1855 0.0014  -0.0071 -0.0047 283 GLN A O   
265  C CB  . GLN A 39  ? 0.2761 0.2511 0.2663 0.0002  -0.0066 -0.0033 283 GLN A CB  
266  C CG  . GLN A 39  ? 0.3265 0.3019 0.3154 0.0007  -0.0065 -0.0027 283 GLN A CG  
267  C CD  . GLN A 39  ? 0.3232 0.2956 0.3121 0.0005  -0.0073 -0.0016 283 GLN A CD  
268  O OE1 . GLN A 39  ? 0.3076 0.2770 0.2966 0.0011  -0.0087 -0.0018 283 GLN A OE1 
269  N NE2 . GLN A 39  ? 0.3785 0.3519 0.3676 -0.0001 -0.0065 -0.0003 283 GLN A NE2 
270  N N   . GLY A 40  ? 0.1617 0.1393 0.1550 -0.0011 -0.0047 -0.0038 284 GLY A N   
271  C CA  . GLY A 40  ? 0.1476 0.1247 0.1422 -0.0015 -0.0047 -0.0037 284 GLY A CA  
272  C C   . GLY A 40  ? 0.1373 0.1122 0.1325 -0.0021 -0.0060 -0.0034 284 GLY A C   
273  O O   . GLY A 40  ? 0.1332 0.1072 0.1284 -0.0028 -0.0060 -0.0027 284 GLY A O   
274  N N   . ASN A 41  ? 0.1285 0.1029 0.1245 -0.0017 -0.0070 -0.0039 285 ASN A N   
275  C CA  . ASN A 41  ? 0.1249 0.0971 0.1220 -0.0026 -0.0084 -0.0038 285 ASN A CA  
276  C C   . ASN A 41  ? 0.1172 0.0905 0.1165 -0.0037 -0.0081 -0.0033 285 ASN A C   
277  O O   . ASN A 41  ? 0.1160 0.0881 0.1169 -0.0046 -0.0094 -0.0033 285 ASN A O   
278  C CB  . ASN A 41  ? 0.1282 0.0986 0.1245 -0.0012 -0.0106 -0.0052 285 ASN A CB  
279  C CG  . ASN A 41  ? 0.1334 0.1056 0.1295 0.0001  -0.0110 -0.0063 285 ASN A CG  
280  O OD1 . ASN A 41  ? 0.1372 0.1120 0.1332 0.0004  -0.0094 -0.0058 285 ASN A OD1 
281  N ND2 . ASN A 41  ? 0.1352 0.1063 0.1314 0.0009  -0.0131 -0.0077 285 ASN A ND2 
282  N N   . PHE A 42  ? 0.1082 0.0838 0.1078 -0.0038 -0.0063 -0.0030 286 PHE A N   
283  C CA  . PHE A 42  ? 0.1034 0.0804 0.1047 -0.0042 -0.0059 -0.0026 286 PHE A CA  
284  C C   . PHE A 42  ? 0.1028 0.0809 0.1054 -0.0056 -0.0043 -0.0014 286 PHE A C   
285  O O   . PHE A 42  ? 0.1035 0.0822 0.1054 -0.0056 -0.0028 -0.0011 286 PHE A O   
286  C CB  . PHE A 42  ? 0.0982 0.0771 0.0990 -0.0027 -0.0050 -0.0030 286 PHE A CB  
287  C CG  . PHE A 42  ? 0.0950 0.0757 0.0973 -0.0026 -0.0048 -0.0027 286 PHE A CG  
288  C CD1 . PHE A 42  ? 0.0970 0.0784 0.0995 -0.0015 -0.0064 -0.0035 286 PHE A CD1 
289  C CD2 . PHE A 42  ? 0.0931 0.0751 0.0965 -0.0032 -0.0029 -0.0017 286 PHE A CD2 
290  C CE1 . PHE A 42  ? 0.0958 0.0794 0.0996 -0.0012 -0.0062 -0.0032 286 PHE A CE1 
291  C CE2 . PHE A 42  ? 0.0922 0.0760 0.0969 -0.0028 -0.0026 -0.0013 286 PHE A CE2 
292  C CZ  . PHE A 42  ? 0.0936 0.0785 0.0984 -0.0017 -0.0042 -0.0019 286 PHE A CZ  
293  N N   . GLY A 43  ? 0.1076 0.0862 0.1123 -0.0066 -0.0048 -0.0007 287 GLY A N   
294  C CA  . GLY A 43  ? 0.1102 0.0904 0.1162 -0.0076 -0.0033 0.0005  287 GLY A CA  
295  C C   . GLY A 43  ? 0.1134 0.0934 0.1212 -0.0091 -0.0039 0.0019  287 GLY A C   
296  O O   . GLY A 43  ? 0.1107 0.0889 0.1178 -0.0094 -0.0045 0.0022  287 GLY A O   
297  N N   . ASP A 44  ? 0.1187 0.1006 0.1289 -0.0099 -0.0038 0.0029  288 ASP A N   
298  C CA  . ASP A 44  ? 0.1270 0.1096 0.1394 -0.0114 -0.0037 0.0049  288 ASP A CA  
299  C C   . ASP A 44  ? 0.1246 0.1090 0.1360 -0.0112 -0.0016 0.0061  288 ASP A C   
300  O O   . ASP A 44  ? 0.1144 0.0990 0.1236 -0.0101 -0.0003 0.0051  288 ASP A O   
301  C CB  . ASP A 44  ? 0.1322 0.1166 0.1477 -0.0124 -0.0045 0.0053  288 ASP A CB  
302  C CG  . ASP A 44  ? 0.1366 0.1245 0.1527 -0.0119 -0.0029 0.0059  288 ASP A CG  
303  O OD1 . ASP A 44  ? 0.1422 0.1309 0.1563 -0.0108 -0.0010 0.0059  288 ASP A OD1 
304  O OD2 . ASP A 44  ? 0.1331 0.1232 0.1519 -0.0126 -0.0036 0.0064  288 ASP A OD2 
305  N N   A GLN A 45  ? 0.1252 0.1111 0.1386 -0.0123 -0.0011 0.0083  289 GLN A N   
306  N N   B GLN A 45  ? 0.1300 0.1158 0.1432 -0.0123 -0.0011 0.0083  289 GLN A N   
307  C CA  A GLN A 45  ? 0.1256 0.1135 0.1378 -0.0118 0.0006  0.0096  289 GLN A CA  
308  C CA  B GLN A 45  ? 0.1336 0.1214 0.1455 -0.0116 0.0007  0.0094  289 GLN A CA  
309  C C   A GLN A 45  ? 0.1281 0.1186 0.1395 -0.0106 0.0023  0.0090  289 GLN A C   
310  C C   B GLN A 45  ? 0.1318 0.1221 0.1430 -0.0106 0.0023  0.0087  289 GLN A C   
311  O O   A GLN A 45  ? 0.1278 0.1191 0.1371 -0.0096 0.0036  0.0085  289 GLN A O   
312  O O   B GLN A 45  ? 0.1299 0.1206 0.1388 -0.0094 0.0035  0.0079  289 GLN A O   
313  C CB  A GLN A 45  ? 0.1239 0.1134 0.1390 -0.0131 0.0007  0.0126  289 GLN A CB  
314  C CB  B GLN A 45  ? 0.1386 0.1281 0.1527 -0.0127 0.0011  0.0124  289 GLN A CB  
315  C CG  A GLN A 45  ? 0.1207 0.1069 0.1374 -0.0144 -0.0011 0.0131  289 GLN A CG  
316  C CG  B GLN A 45  ? 0.1401 0.1269 0.1542 -0.0133 0.0000  0.0133  289 GLN A CG  
317  C CD  A GLN A 45  ? 0.1143 0.1005 0.1350 -0.0161 -0.0026 0.0135  289 GLN A CD  
318  C CD  B GLN A 45  ? 0.1415 0.1290 0.1593 -0.0150 -0.0001 0.0164  289 GLN A CD  
319  O OE1 A GLN A 45  ? 0.0992 0.0851 0.1200 -0.0160 -0.0036 0.0115  289 GLN A OE1 
320  O OE1 B GLN A 45  ? 0.1407 0.1280 0.1619 -0.0165 -0.0012 0.0168  289 GLN A OE1 
321  N NE2 A GLN A 45  ? 0.1138 0.1003 0.1378 -0.0178 -0.0028 0.0162  289 GLN A NE2 
322  N NE2 B GLN A 45  ? 0.1449 0.1334 0.1624 -0.0147 0.0008  0.0188  289 GLN A NE2 
323  N N   . GLU A 46  ? 0.1321 0.1239 0.1453 -0.0108 0.0022  0.0089  290 GLU A N   
324  C CA  . GLU A 46  ? 0.1527 0.1467 0.1653 -0.0095 0.0037  0.0085  290 GLU A CA  
325  C C   . GLU A 46  ? 0.1364 0.1282 0.1466 -0.0083 0.0041  0.0062  290 GLU A C   
326  O O   . GLU A 46  ? 0.1364 0.1286 0.1450 -0.0072 0.0055  0.0055  290 GLU A O   
327  C CB  . GLU A 46  ? 0.1844 0.1806 0.1999 -0.0100 0.0033  0.0094  290 GLU A CB  
328  C CG  . GLU A 46  ? 0.2158 0.2150 0.2313 -0.0087 0.0051  0.0097  290 GLU A CG  
329  C CD  . GLU A 46  ? 0.2379 0.2397 0.2561 -0.0090 0.0045  0.0105  290 GLU A CD  
330  O OE1 . GLU A 46  ? 0.2261 0.2272 0.2460 -0.0102 0.0026  0.0102  290 GLU A OE1 
331  O OE2 . GLU A 46  ? 0.2772 0.2818 0.2955 -0.0078 0.0060  0.0111  290 GLU A OE2 
332  N N   . LEU A 47  ? 0.1272 0.1168 0.1371 -0.0084 0.0027  0.0051  291 LEU A N   
333  C CA  . LEU A 47  ? 0.1238 0.1117 0.1320 -0.0073 0.0031  0.0034  291 LEU A CA  
334  C C   . LEU A 47  ? 0.1238 0.1105 0.1300 -0.0072 0.0035  0.0026  291 LEU A C   
335  O O   . LEU A 47  ? 0.1182 0.1045 0.1232 -0.0064 0.0046  0.0015  291 LEU A O   
336  C CB  . LEU A 47  ? 0.1236 0.1101 0.1318 -0.0071 0.0016  0.0025  291 LEU A CB  
337  C CG  . LEU A 47  ? 0.1265 0.1116 0.1331 -0.0060 0.0021  0.0013  291 LEU A CG  
338  C CD1 . LEU A 47  ? 0.1317 0.1174 0.1383 -0.0050 0.0039  0.0012  291 LEU A CD1 
339  C CD2 . LEU A 47  ? 0.1277 0.1124 0.1344 -0.0054 0.0006  0.0008  291 LEU A CD2 
340  N N   . ILE A 48  ? 0.1274 0.1135 0.1333 -0.0079 0.0027  0.0032  292 ILE A N   
341  C CA  . ILE A 48  ? 0.1308 0.1163 0.1347 -0.0076 0.0030  0.0025  292 ILE A CA  
342  C C   . ILE A 48  ? 0.1357 0.1232 0.1389 -0.0070 0.0046  0.0023  292 ILE A C   
343  O O   . ILE A 48  ? 0.1362 0.1233 0.1379 -0.0064 0.0050  0.0007  292 ILE A O   
344  C CB  . ILE A 48  ? 0.1337 0.1184 0.1374 -0.0082 0.0019  0.0035  292 ILE A CB  
345  C CG1 . ILE A 48  ? 0.1353 0.1175 0.1391 -0.0084 0.0002  0.0029  292 ILE A CG1 
346  C CG2 . ILE A 48  ? 0.1339 0.1193 0.1357 -0.0077 0.0025  0.0033  292 ILE A CG2 
347  C CD1 . ILE A 48  ? 0.1407 0.1215 0.1451 -0.0091 -0.0009 0.0042  292 ILE A CD1 
348  N N   . ARG A 49  ? 0.1513 0.1411 0.1555 -0.0070 0.0053  0.0038  293 ARG A N   
349  C CA  . ARG A 49  ? 0.1614 0.1535 0.1648 -0.0060 0.0067  0.0037  293 ARG A CA  
350  C C   . ARG A 49  ? 0.1526 0.1442 0.1556 -0.0051 0.0077  0.0019  293 ARG A C   
351  O O   . ARG A 49  ? 0.1508 0.1431 0.1525 -0.0041 0.0086  0.0006  293 ARG A O   
352  C CB  . ARG A 49  ? 0.1860 0.1812 0.1909 -0.0062 0.0073  0.0062  293 ARG A CB  
353  C CG  . ARG A 49  ? 0.2219 0.2201 0.2257 -0.0047 0.0089  0.0061  293 ARG A CG  
354  C CD  . ARG A 49  ? 0.2370 0.2393 0.2423 -0.0047 0.0097  0.0090  293 ARG A CD  
355  N NE  . ARG A 49  ? 0.2417 0.2451 0.2498 -0.0053 0.0097  0.0104  293 ARG A NE  
356  C CZ  . ARG A 49  ? 0.2417 0.2449 0.2524 -0.0071 0.0086  0.0122  293 ARG A CZ  
357  N NH1 . ARG A 49  ? 0.2322 0.2334 0.2430 -0.0082 0.0075  0.0129  293 ARG A NH1 
358  N NH2 . ARG A 49  ? 0.2427 0.2475 0.2560 -0.0076 0.0085  0.0133  293 ARG A NH2 
359  N N   . GLN A 50  ? 0.1473 0.1380 0.1517 -0.0052 0.0076  0.0020  294 GLN A N   
360  C CA  . GLN A 50  ? 0.1539 0.1445 0.1585 -0.0041 0.0087  0.0013  294 GLN A CA  
361  C C   . GLN A 50  ? 0.1514 0.1393 0.1560 -0.0039 0.0087  -0.0001 294 GLN A C   
362  O O   . GLN A 50  ? 0.1646 0.1517 0.1692 -0.0030 0.0098  -0.0010 294 GLN A O   
363  C CB  . GLN A 50  ? 0.1640 0.1565 0.1704 -0.0039 0.0089  0.0029  294 GLN A CB  
364  C CG  . GLN A 50  ? 0.1642 0.1602 0.1713 -0.0040 0.0094  0.0047  294 GLN A CG  
365  C CD  . GLN A 50  ? 0.1782 0.1766 0.1876 -0.0041 0.0094  0.0064  294 GLN A CD  
366  O OE1 . GLN A 50  ? 0.1928 0.1904 0.2032 -0.0043 0.0087  0.0063  294 GLN A OE1 
367  N NE2 . GLN A 50  ? 0.1887 0.1907 0.1988 -0.0037 0.0103  0.0080  294 GLN A NE2 
368  N N   . GLY A 51  ? 0.1436 0.1300 0.1481 -0.0046 0.0075  -0.0002 295 GLY A N   
369  C CA  . GLY A 51  ? 0.1365 0.1209 0.1411 -0.0044 0.0076  -0.0011 295 GLY A CA  
370  C C   . GLY A 51  ? 0.1369 0.1213 0.1426 -0.0034 0.0085  -0.0006 295 GLY A C   
371  O O   . GLY A 51  ? 0.1294 0.1152 0.1359 -0.0033 0.0081  0.0005  295 GLY A O   
372  N N   . THR A 52  ? 0.1311 0.1139 0.1371 -0.0028 0.0096  -0.0014 296 THR A N   
373  C CA  . THR A 52  ? 0.1340 0.1166 0.1411 -0.0016 0.0106  -0.0005 296 THR A CA  
374  C C   . THR A 52  ? 0.1370 0.1212 0.1444 -0.0007 0.0115  0.0000  296 THR A C   
375  O O   . THR A 52  ? 0.1365 0.1212 0.1447 0.0004  0.0122  0.0009  296 THR A O   
376  C CB  . THR A 52  ? 0.1318 0.1119 0.1397 -0.0013 0.0116  -0.0011 296 THR A CB  
377  O OG1 . THR A 52  ? 0.1305 0.1094 0.1382 -0.0014 0.0122  -0.0028 296 THR A OG1 
378  C CG2 . THR A 52  ? 0.1294 0.1088 0.1373 -0.0020 0.0108  -0.0012 296 THR A CG2 
379  N N   . ASP A 53  ? 0.1372 0.1227 0.1439 -0.0010 0.0115  -0.0004 297 ASP A N   
380  C CA  . ASP A 53  ? 0.1388 0.1266 0.1457 0.0000  0.0123  0.0003  297 ASP A CA  
381  C C   . ASP A 53  ? 0.1403 0.1310 0.1482 -0.0004 0.0115  0.0022  297 ASP A C   
382  O O   . ASP A 53  ? 0.1507 0.1439 0.1594 0.0003  0.0122  0.0032  297 ASP A O   
383  C CB  . ASP A 53  ? 0.1427 0.1315 0.1484 0.0000  0.0126  -0.0005 297 ASP A CB  
384  C CG  . ASP A 53  ? 0.1489 0.1352 0.1537 0.0008  0.0134  -0.0028 297 ASP A CG  
385  O OD1 . ASP A 53  ? 0.1423 0.1267 0.1479 0.0018  0.0144  -0.0031 297 ASP A OD1 
386  O OD2 . ASP A 53  ? 0.1584 0.1448 0.1620 0.0004  0.0130  -0.0043 297 ASP A OD2 
387  N N   . TYR A 54  ? 0.1367 0.1272 0.1449 -0.0017 0.0100  0.0025  298 TYR A N   
388  C CA  . TYR A 54  ? 0.1361 0.1289 0.1457 -0.0024 0.0088  0.0039  298 TYR A CA  
389  C C   . TYR A 54  ? 0.1379 0.1323 0.1487 -0.0011 0.0094  0.0046  298 TYR A C   
390  O O   . TYR A 54  ? 0.1231 0.1159 0.1335 0.0000  0.0099  0.0042  298 TYR A O   
391  C CB  . TYR A 54  ? 0.1364 0.1275 0.1458 -0.0035 0.0071  0.0034  298 TYR A CB  
392  C CG  . TYR A 54  ? 0.1394 0.1321 0.1503 -0.0043 0.0054  0.0042  298 TYR A CG  
393  C CD1 . TYR A 54  ? 0.1458 0.1380 0.1568 -0.0038 0.0043  0.0037  298 TYR A CD1 
394  C CD2 . TYR A 54  ? 0.1478 0.1422 0.1601 -0.0056 0.0047  0.0053  298 TYR A CD2 
395  C CE1 . TYR A 54  ? 0.1504 0.1439 0.1628 -0.0045 0.0024  0.0038  298 TYR A CE1 
396  C CE2 . TYR A 54  ? 0.1473 0.1428 0.1616 -0.0066 0.0029  0.0057  298 TYR A CE2 
397  C CZ  . TYR A 54  ? 0.1528 0.1476 0.1669 -0.0061 0.0017  0.0047  298 TYR A CZ  
398  O OH  . TYR A 54  ? 0.1595 0.1551 0.1754 -0.0070 -0.0003 0.0045  298 TYR A OH  
399  N N   . LYS A 55  ? 0.1543 0.1521 0.1666 -0.0012 0.0092  0.0059  299 LYS A N   
400  C CA  . LYS A 55  ? 0.1852 0.1852 0.1985 0.0003  0.0099  0.0067  299 LYS A CA  
401  C C   . LYS A 55  ? 0.1795 0.1794 0.1931 0.0006  0.0087  0.0066  299 LYS A C   
402  O O   . LYS A 55  ? 0.1965 0.1976 0.2104 0.0024  0.0095  0.0071  299 LYS A O   
403  C CB  . LYS A 55  ? 0.2223 0.2267 0.2374 0.0001  0.0100  0.0082  299 LYS A CB  
404  C CG  . LYS A 55  ? 0.2670 0.2722 0.2813 0.0007  0.0116  0.0085  299 LYS A CG  
405  C CD  . LYS A 55  ? 0.3362 0.3407 0.3493 0.0031  0.0136  0.0080  299 LYS A CD  
406  C CE  . LYS A 55  ? 0.4050 0.4101 0.4169 0.0036  0.0147  0.0077  299 LYS A CE  
407  N NZ  . LYS A 55  ? 0.4319 0.4413 0.4451 0.0027  0.0144  0.0095  299 LYS A NZ  
408  N N   . HIS A 56  ? 0.1631 0.1619 0.1767 -0.0006 0.0069  0.0059  300 HIS A N   
409  C CA  . HIS A 56  ? 0.1711 0.1701 0.1846 0.0000  0.0057  0.0055  300 HIS A CA  
410  C C   . HIS A 56  ? 0.1607 0.1564 0.1724 0.0004  0.0059  0.0046  300 HIS A C   
411  O O   . HIS A 56  ? 0.1682 0.1643 0.1796 0.0012  0.0049  0.0043  300 HIS A O   
412  C CB  . HIS A 56  ? 0.1824 0.1832 0.1975 -0.0014 0.0033  0.0053  300 HIS A CB  
413  C CG  . HIS A 56  ? 0.2027 0.2075 0.2201 -0.0017 0.0032  0.0064  300 HIS A CG  
414  N ND1 . HIS A 56  ? 0.2405 0.2462 0.2593 -0.0035 0.0033  0.0073  300 HIS A ND1 
415  C CD2 . HIS A 56  ? 0.2042 0.2126 0.2228 -0.0005 0.0033  0.0071  300 HIS A CD2 
416  C CE1 . HIS A 56  ? 0.2230 0.2328 0.2440 -0.0034 0.0034  0.0085  300 HIS A CE1 
417  N NE2 . HIS A 56  ? 0.2262 0.2377 0.2471 -0.0016 0.0033  0.0082  300 HIS A NE2 
418  N N   . TRP A 57  ? 0.1495 0.1427 0.1603 0.0003  0.0072  0.0043  301 TRP A N   
419  C CA  . TRP A 57  ? 0.1377 0.1282 0.1474 0.0006  0.0076  0.0037  301 TRP A CA  
420  C C   . TRP A 57  ? 0.1397 0.1309 0.1494 0.0025  0.0081  0.0044  301 TRP A C   
421  O O   . TRP A 57  ? 0.1358 0.1267 0.1449 0.0028  0.0073  0.0041  301 TRP A O   
422  C CB  . TRP A 57  ? 0.1310 0.1191 0.1402 0.0004  0.0091  0.0031  301 TRP A CB  
423  C CG  . TRP A 57  ? 0.1288 0.1146 0.1374 0.0003  0.0093  0.0025  301 TRP A CG  
424  C CD1 . TRP A 57  ? 0.1282 0.1124 0.1373 0.0012  0.0108  0.0028  301 TRP A CD1 
425  C CD2 . TRP A 57  ? 0.1237 0.1087 0.1314 -0.0005 0.0079  0.0018  301 TRP A CD2 
426  N NE1 . TRP A 57  ? 0.1323 0.1152 0.1410 0.0007  0.0104  0.0024  301 TRP A NE1 
427  C CE2 . TRP A 57  ? 0.1263 0.1098 0.1340 -0.0001 0.0087  0.0017  301 TRP A CE2 
428  C CE3 . TRP A 57  ? 0.1239 0.1094 0.1310 -0.0015 0.0061  0.0014  301 TRP A CE3 
429  C CZ2 . TRP A 57  ? 0.1262 0.1092 0.1332 -0.0006 0.0077  0.0012  301 TRP A CZ2 
430  C CZ3 . TRP A 57  ? 0.1200 0.1044 0.1261 -0.0019 0.0051  0.0007  301 TRP A CZ3 
431  C CH2 . TRP A 57  ? 0.1207 0.1042 0.1266 -0.0013 0.0059  0.0006  301 TRP A CH2 
432  N N   . PRO A 58  ? 0.1450 0.1375 0.1555 0.0042  0.0095  0.0055  302 PRO A N   
433  C CA  . PRO A 58  ? 0.1447 0.1382 0.1552 0.0062  0.0101  0.0066  302 PRO A CA  
434  C C   . PRO A 58  ? 0.1451 0.1411 0.1552 0.0068  0.0082  0.0064  302 PRO A C   
435  O O   . PRO A 58  ? 0.1404 0.1367 0.1499 0.0082  0.0084  0.0069  302 PRO A O   
436  C CB  . PRO A 58  ? 0.1494 0.1445 0.1607 0.0079  0.0117  0.0078  302 PRO A CB  
437  C CG  . PRO A 58  ? 0.1498 0.1432 0.1613 0.0068  0.0125  0.0072  302 PRO A CG  
438  C CD  . PRO A 58  ? 0.1478 0.1409 0.1589 0.0044  0.0108  0.0059  302 PRO A CD  
439  N N   . GLN A 59  ? 0.1413 0.1393 0.1518 0.0058  0.0062  0.0056  303 GLN A N   
440  C CA  . GLN A 59  ? 0.1525 0.1528 0.1627 0.0064  0.0041  0.0049  303 GLN A CA  
441  C C   . GLN A 59  ? 0.1503 0.1484 0.1592 0.0056  0.0027  0.0036  303 GLN A C   
442  O O   . GLN A 59  ? 0.1459 0.1454 0.1540 0.0066  0.0011  0.0028  303 GLN A O   
443  C CB  . GLN A 59  ? 0.1647 0.1680 0.1764 0.0055  0.0023  0.0044  303 GLN A CB  
444  C CG  . GLN A 59  ? 0.1880 0.1952 0.2007 0.0074  0.0032  0.0056  303 GLN A CG  
445  C CD  . GLN A 59  ? 0.2104 0.2167 0.2237 0.0074  0.0056  0.0069  303 GLN A CD  
446  O OE1 . GLN A 59  ? 0.1944 0.1989 0.2081 0.0055  0.0058  0.0066  303 GLN A OE1 
447  N NE2 . GLN A 59  ? 0.2107 0.2180 0.2238 0.0098  0.0075  0.0083  303 GLN A NE2 
448  N N   . ILE A 60  ? 0.1460 0.1409 0.1546 0.0039  0.0033  0.0032  304 ILE A N   
449  C CA  . ILE A 60  ? 0.1452 0.1380 0.1525 0.0034  0.0024  0.0023  304 ILE A CA  
450  C C   . ILE A 60  ? 0.1414 0.1335 0.1480 0.0047  0.0041  0.0031  304 ILE A C   
451  O O   . ILE A 60  ? 0.1386 0.1313 0.1442 0.0058  0.0034  0.0029  304 ILE A O   
452  C CB  . ILE A 60  ? 0.1471 0.1375 0.1544 0.0011  0.0021  0.0016  304 ILE A CB  
453  C CG1 . ILE A 60  ? 0.1493 0.1407 0.1578 -0.0002 0.0004  0.0012  304 ILE A CG1 
454  C CG2 . ILE A 60  ? 0.1442 0.1325 0.1500 0.0008  0.0015  0.0008  304 ILE A CG2 
455  C CD1 . ILE A 60  ? 0.1528 0.1424 0.1615 -0.0022 0.0005  0.0012  304 ILE A CD1 
456  N N   . ALA A 61  ? 0.1488 0.1398 0.1563 0.0047  0.0063  0.0041  305 ALA A N   
457  C CA  . ALA A 61  ? 0.1536 0.1433 0.1612 0.0054  0.0079  0.0050  305 ALA A CA  
458  C C   . ALA A 61  ? 0.1599 0.1520 0.1674 0.0079  0.0085  0.0065  305 ALA A C   
459  O O   . ALA A 61  ? 0.1555 0.1473 0.1630 0.0085  0.0093  0.0073  305 ALA A O   
460  C CB  . ALA A 61  ? 0.1627 0.1503 0.1715 0.0048  0.0099  0.0054  305 ALA A CB  
461  N N   . GLN A 62  ? 0.1527 0.1476 0.1602 0.0093  0.0079  0.0068  306 GLN A N   
462  C CA  . GLN A 62  ? 0.1613 0.1593 0.1684 0.0121  0.0083  0.0083  306 GLN A CA  
463  C C   . GLN A 62  ? 0.1566 0.1557 0.1622 0.0130  0.0070  0.0077  306 GLN A C   
464  O O   . GLN A 62  ? 0.1583 0.1601 0.1635 0.0155  0.0076  0.0092  306 GLN A O   
465  C CB  . GLN A 62  ? 0.1614 0.1628 0.1687 0.0134  0.0074  0.0083  306 GLN A CB  
466  C CG  . GLN A 62  ? 0.1665 0.1694 0.1731 0.0126  0.0044  0.0061  306 GLN A CG  
467  C CD  . GLN A 62  ? 0.1729 0.1797 0.1801 0.0137  0.0034  0.0060  306 GLN A CD  
468  O OE1 . GLN A 62  ? 0.1768 0.1868 0.1838 0.0164  0.0042  0.0073  306 GLN A OE1 
469  N NE2 . GLN A 62  ? 0.1622 0.1691 0.1704 0.0117  0.0018  0.0046  306 GLN A NE2 
470  N N   . PHE A 63  ? 0.1450 0.1426 0.1497 0.0113  0.0051  0.0057  307 PHE A N   
471  C CA  . PHE A 63  ? 0.1473 0.1460 0.1505 0.0124  0.0037  0.0049  307 PHE A CA  
472  C C   . PHE A 63  ? 0.1499 0.1465 0.1531 0.0115  0.0048  0.0054  307 PHE A C   
473  O O   . PHE A 63  ? 0.1489 0.1466 0.1508 0.0127  0.0042  0.0052  307 PHE A O   
474  C CB  . PHE A 63  ? 0.1567 0.1551 0.1588 0.0115  0.0008  0.0024  307 PHE A CB  
475  C CG  . PHE A 63  ? 0.1752 0.1762 0.1777 0.0124  -0.0005 0.0017  307 PHE A CG  
476  C CD1 . PHE A 63  ? 0.1885 0.1935 0.1900 0.0154  -0.0010 0.0019  307 PHE A CD1 
477  C CD2 . PHE A 63  ? 0.1840 0.1841 0.1879 0.0102  -0.0013 0.0010  307 PHE A CD2 
478  C CE1 . PHE A 63  ? 0.1911 0.1990 0.1932 0.0162  -0.0024 0.0012  307 PHE A CE1 
479  C CE2 . PHE A 63  ? 0.1790 0.1820 0.1837 0.0108  -0.0025 0.0005  307 PHE A CE2 
480  C CZ  . PHE A 63  ? 0.1899 0.1967 0.1937 0.0137  -0.0032 0.0004  307 PHE A CZ  
481  N N   . ALA A 64  ? 0.1417 0.1355 0.1464 0.0094  0.0064  0.0058  308 ALA A N   
482  C CA  . ALA A 64  ? 0.1423 0.1344 0.1475 0.0083  0.0073  0.0061  308 ALA A CA  
483  C C   . ALA A 64  ? 0.1453 0.1390 0.1516 0.0100  0.0093  0.0086  308 ALA A C   
484  O O   . ALA A 64  ? 0.1498 0.1441 0.1573 0.0111  0.0109  0.0104  308 ALA A O   
485  C CB  . ALA A 64  ? 0.1358 0.1247 0.1423 0.0059  0.0082  0.0055  308 ALA A CB  
486  N N   . PRO A 65  ? 0.1413 0.1359 0.1473 0.0103  0.0093  0.0089  309 PRO A N   
487  C CA  . PRO A 65  ? 0.1367 0.1333 0.1442 0.0118  0.0112  0.0117  309 PRO A CA  
488  C C   . PRO A 65  ? 0.1293 0.1235 0.1400 0.0101  0.0134  0.0131  309 PRO A C   
489  O O   . PRO A 65  ? 0.1230 0.1144 0.1345 0.0075  0.0132  0.0116  309 PRO A O   
490  C CB  . PRO A 65  ? 0.1412 0.1399 0.1472 0.0126  0.0101  0.0112  309 PRO A CB  
491  C CG  . PRO A 65  ? 0.1380 0.1337 0.1432 0.0101  0.0085  0.0085  309 PRO A CG  
492  C CD  . PRO A 65  ? 0.1370 0.1312 0.1415 0.0095  0.0075  0.0070  309 PRO A CD  
493  N N   . SER A 66  ? 0.1283 0.1236 0.1409 0.0116  0.0155  0.0161  310 SER A N   
494  C CA  . SER A 66  ? 0.1283 0.1218 0.1446 0.0103  0.0177  0.0179  310 SER A CA  
495  C C   . SER A 66  ? 0.1256 0.1201 0.1426 0.0091  0.0175  0.0179  310 SER A C   
496  O O   . SER A 66  ? 0.1226 0.1201 0.1371 0.0104  0.0160  0.0173  310 SER A O   
497  C CB  . SER A 66  ? 0.1308 0.1259 0.1488 0.0125  0.0200  0.0216  310 SER A CB  
498  O OG  . SER A 66  ? 0.1283 0.1282 0.1455 0.0151  0.0202  0.0238  310 SER A OG  
499  N N   . ALA A 67  ? 0.1249 0.1172 0.1454 0.0068  0.0187  0.0184  311 ALA A N   
500  C CA  . ALA A 67  ? 0.1285 0.1223 0.1505 0.0057  0.0187  0.0188  311 ALA A CA  
501  C C   . ALA A 67  ? 0.1319 0.1307 0.1540 0.0084  0.0196  0.0220  311 ALA A C   
502  O O   . ALA A 67  ? 0.1356 0.1374 0.1561 0.0091  0.0186  0.0217  311 ALA A O   
503  C CB  . ALA A 67  ? 0.1320 0.1225 0.1584 0.0027  0.0199  0.0188  311 ALA A CB  
504  N N   . SER A 68  ? 0.1356 0.1355 0.1590 0.0104  0.0215  0.0253  312 SER A N   
505  C CA  . SER A 68  ? 0.1392 0.1443 0.1625 0.0135  0.0226  0.0287  312 SER A CA  
506  C C   . SER A 68  ? 0.1359 0.1447 0.1541 0.0164  0.0206  0.0271  312 SER A C   
507  O O   . SER A 68  ? 0.1286 0.1417 0.1458 0.0181  0.0202  0.0280  312 SER A O   
508  C CB  . SER A 68  ? 0.1485 0.1540 0.1741 0.0153  0.0251  0.0325  312 SER A CB  
509  O OG  . SER A 68  ? 0.1559 0.1671 0.1817 0.0184  0.0265  0.0364  312 SER A OG  
510  N N   . ALA A 69  ? 0.1297 0.1369 0.1450 0.0169  0.0190  0.0247  313 ALA A N   
511  C CA  . ALA A 69  ? 0.1311 0.1414 0.1421 0.0195  0.0168  0.0228  313 ALA A CA  
512  C C   . ALA A 69  ? 0.1289 0.1383 0.1379 0.0181  0.0146  0.0197  313 ALA A C   
513  O O   . ALA A 69  ? 0.1229 0.1355 0.1290 0.0204  0.0131  0.0188  313 ALA A O   
514  C CB  . ALA A 69  ? 0.1296 0.1387 0.1389 0.0202  0.0159  0.0214  313 ALA A CB  
515  N N   . PHE A 70  ? 0.1320 0.1373 0.1425 0.0146  0.0143  0.0179  314 PHE A N   
516  C CA  . PHE A 70  ? 0.1303 0.1350 0.1390 0.0134  0.0123  0.0153  314 PHE A CA  
517  C C   . PHE A 70  ? 0.1298 0.1386 0.1388 0.0148  0.0128  0.0170  314 PHE A C   
518  O O   . PHE A 70  ? 0.1318 0.1425 0.1379 0.0163  0.0111  0.0155  314 PHE A O   
519  C CB  . PHE A 70  ? 0.1265 0.1269 0.1370 0.0097  0.0123  0.0136  314 PHE A CB  
520  C CG  . PHE A 70  ? 0.1272 0.1272 0.1361 0.0086  0.0105  0.0112  314 PHE A CG  
521  C CD1 . PHE A 70  ? 0.1277 0.1262 0.1334 0.0087  0.0083  0.0086  314 PHE A CD1 
522  C CD2 . PHE A 70  ? 0.1276 0.1290 0.1384 0.0074  0.0111  0.0118  314 PHE A CD2 
523  C CE1 . PHE A 70  ? 0.1253 0.1235 0.1295 0.0080  0.0068  0.0068  314 PHE A CE1 
524  C CE2 . PHE A 70  ? 0.1298 0.1312 0.1389 0.0067  0.0095  0.0098  314 PHE A CE2 
525  C CZ  . PHE A 70  ? 0.1250 0.1246 0.1308 0.0071  0.0074  0.0073  314 PHE A CZ  
526  N N   . PHE A 71  ? 0.1315 0.1417 0.1443 0.0142  0.0152  0.0201  315 PHE A N   
527  C CA  . PHE A 71  ? 0.1361 0.1508 0.1499 0.0154  0.0159  0.0223  315 PHE A CA  
528  C C   . PHE A 71  ? 0.1353 0.1553 0.1474 0.0197  0.0166  0.0249  315 PHE A C   
529  O O   . PHE A 71  ? 0.1417 0.1663 0.1531 0.0217  0.0167  0.0260  315 PHE A O   
530  C CB  . PHE A 71  ? 0.1384 0.1522 0.1576 0.0124  0.0180  0.0244  315 PHE A CB  
531  C CG  . PHE A 71  ? 0.1366 0.1478 0.1565 0.0091  0.0167  0.0215  315 PHE A CG  
532  C CD1 . PHE A 71  ? 0.1330 0.1391 0.1546 0.0059  0.0167  0.0196  315 PHE A CD1 
533  C CD2 . PHE A 71  ? 0.1421 0.1562 0.1606 0.0095  0.0156  0.0206  315 PHE A CD2 
534  C CE1 . PHE A 71  ? 0.1354 0.1398 0.1573 0.0033  0.0154  0.0169  315 PHE A CE1 
535  C CE2 . PHE A 71  ? 0.1395 0.1517 0.1585 0.0067  0.0144  0.0181  315 PHE A CE2 
536  C CZ  . PHE A 71  ? 0.1390 0.1464 0.1596 0.0037  0.0143  0.0162  315 PHE A CZ  
537  N N   . GLY A 72  ? 0.1352 0.1552 0.1464 0.0215  0.0171  0.0256  316 GLY A N   
538  C CA  . GLY A 72  ? 0.1400 0.1655 0.1492 0.0260  0.0176  0.0279  316 GLY A CA  
539  C C   . GLY A 72  ? 0.1411 0.1683 0.1451 0.0289  0.0148  0.0246  316 GLY A C   
540  O O   . GLY A 72  ? 0.1433 0.1758 0.1450 0.0326  0.0146  0.0256  316 GLY A O   
541  N N   . MET A 73  ? 0.1439 0.1666 0.1461 0.0271  0.0125  0.0208  317 MET A N   
542  C CA  . MET A 73  ? 0.1520 0.1754 0.1499 0.0294  0.0098  0.0176  317 MET A CA  
543  C C   . MET A 73  ? 0.1421 0.1644 0.1379 0.0288  0.0076  0.0147  317 MET A C   
544  O O   . MET A 73  ? 0.1505 0.1748 0.1428 0.0317  0.0057  0.0128  317 MET A O   
545  C CB  . MET A 73  ? 0.1596 0.1791 0.1570 0.0278  0.0085  0.0152  317 MET A CB  
546  C CG  . MET A 73  ? 0.1809 0.2015 0.1798 0.0288  0.0101  0.0175  317 MET A CG  
547  S SD  . MET A 73  ? 0.2055 0.2222 0.2039 0.0270  0.0084  0.0146  317 MET A SD  
548  C CE  . MET A 73  ? 0.2183 0.2290 0.2176 0.0223  0.0073  0.0119  317 MET A CE  
549  N N   . SER A 74  ? 0.1382 0.1571 0.1360 0.0253  0.0079  0.0143  318 SER A N   
550  C CA  . SER A 74  ? 0.1388 0.1556 0.1345 0.0244  0.0058  0.0113  318 SER A CA  
551  C C   . SER A 74  ? 0.1468 0.1678 0.1414 0.0267  0.0059  0.0121  318 SER A C   
552  O O   . SER A 74  ? 0.1434 0.1688 0.1398 0.0280  0.0080  0.0154  318 SER A O   
553  C CB  . SER A 74  ? 0.1389 0.1511 0.1368 0.0201  0.0060  0.0103  318 SER A CB  
554  O OG  . SER A 74  ? 0.1312 0.1399 0.1304 0.0180  0.0063  0.0098  318 SER A OG  
555  N N   . ARG A 75  ? 0.1540 0.1738 0.1456 0.0274  0.0036  0.0093  319 ARG A N   
556  C CA  . ARG A 75  ? 0.1658 0.1887 0.1566 0.0288  0.0035  0.0097  319 ARG A CA  
557  C C   . ARG A 75  ? 0.1586 0.1790 0.1519 0.0250  0.0041  0.0097  319 ARG A C   
558  O O   . ARG A 75  ? 0.1685 0.1842 0.1614 0.0225  0.0028  0.0074  319 ARG A O   
559  C CB  . ARG A 75  ? 0.1832 0.2059 0.1694 0.0320  0.0008  0.0066  319 ARG A CB  
560  C CG  . ARG A 75  ? 0.1991 0.2249 0.1829 0.0359  0.0001  0.0065  319 ARG A CG  
561  C CD  . ARG A 75  ? 0.2197 0.2477 0.1993 0.0402  -0.0019 0.0043  319 ARG A CD  
562  N NE  . ARG A 75  ? 0.2292 0.2620 0.2084 0.0423  -0.0008 0.0062  319 ARG A NE  
563  C CZ  . ARG A 75  ? 0.2361 0.2754 0.2163 0.0448  0.0013  0.0097  319 ARG A CZ  
564  N NH1 . ARG A 75  ? 0.2225 0.2659 0.2026 0.0462  0.0021  0.0113  319 ARG A NH1 
565  N NH2 . ARG A 75  ? 0.2530 0.2950 0.2343 0.0458  0.0028  0.0119  319 ARG A NH2 
566  N N   . ILE A 76  ? 0.1477 0.1716 0.1441 0.0243  0.0062  0.0126  320 ILE A N   
567  C CA  . ILE A 76  ? 0.1405 0.1627 0.1399 0.0206  0.0068  0.0126  320 ILE A CA  
568  C C   . ILE A 76  ? 0.1468 0.1726 0.1452 0.0218  0.0063  0.0126  320 ILE A C   
569  O O   . ILE A 76  ? 0.1452 0.1763 0.1430 0.0250  0.0070  0.0145  320 ILE A O   
570  C CB  . ILE A 76  ? 0.1353 0.1585 0.1398 0.0183  0.0094  0.0157  320 ILE A CB  
571  C CG1 . ILE A 76  ? 0.1364 0.1565 0.1417 0.0176  0.0101  0.0160  320 ILE A CG1 
572  C CG2 . ILE A 76  ? 0.1336 0.1553 0.1413 0.0145  0.0098  0.0153  320 ILE A CG2 
573  C CD1 . ILE A 76  ? 0.1323 0.1465 0.1370 0.0149  0.0088  0.0130  320 ILE A CD1 
574  N N   . GLY A 77  ? 0.1473 0.1705 0.1457 0.0195  0.0053  0.0106  321 GLY A N   
575  C CA  . GLY A 77  ? 0.1527 0.1792 0.1506 0.0203  0.0049  0.0107  321 GLY A CA  
576  C C   . GLY A 77  ? 0.1579 0.1832 0.1591 0.0163  0.0053  0.0103  321 GLY A C   
577  O O   . GLY A 77  ? 0.1407 0.1620 0.1438 0.0132  0.0056  0.0095  321 GLY A O   
578  N N   A MET A 78  ? 0.1631 0.1922 0.1647 0.0167  0.0053  0.0107  322 MET A N   
579  N N   B MET A 78  ? 0.1630 0.1921 0.1647 0.0165  0.0053  0.0107  322 MET A N   
580  C CA  A MET A 78  ? 0.1727 0.2014 0.1765 0.0135  0.0051  0.0097  322 MET A CA  
581  C CA  B MET A 78  ? 0.1724 0.2010 0.1766 0.0132  0.0052  0.0097  322 MET A CA  
582  C C   A MET A 78  ? 0.1845 0.2144 0.1849 0.0153  0.0035  0.0082  322 MET A C   
583  C C   B MET A 78  ? 0.1835 0.2139 0.1848 0.0148  0.0037  0.0084  322 MET A C   
584  O O   A MET A 78  ? 0.1857 0.2195 0.1840 0.0188  0.0032  0.0090  322 MET A O   
585  O O   B MET A 78  ? 0.1870 0.2226 0.1877 0.0174  0.0040  0.0098  322 MET A O   
586  C CB  A MET A 78  ? 0.1753 0.2086 0.1847 0.0114  0.0069  0.0122  322 MET A CB  
587  C CB  B MET A 78  ? 0.1750 0.2075 0.1850 0.0108  0.0071  0.0122  322 MET A CB  
588  C CG  A MET A 78  ? 0.1737 0.2068 0.1857 0.0080  0.0065  0.0108  322 MET A CG  
589  C CG  B MET A 78  ? 0.1748 0.2035 0.1887 0.0067  0.0079  0.0118  322 MET A CG  
590  S SD  A MET A 78  ? 0.1911 0.2290 0.2106 0.0049  0.0084  0.0135  322 MET A SD  
591  S SD  B MET A 78  ? 0.1841 0.2160 0.2042 0.0029  0.0087  0.0124  322 MET A SD  
592  C CE  A MET A 78  ? 0.1904 0.2246 0.2136 0.0030  0.0103  0.0152  322 MET A CE  
593  C CE  B MET A 78  ? 0.1799 0.2186 0.2034 0.0046  0.0108  0.0170  322 MET A CE  
594  N N   . GLU A 79  ? 0.1889 0.2155 0.1886 0.0134  0.0023  0.0059  323 GLU A N   
595  C CA  . GLU A 79  ? 0.2108 0.2382 0.2076 0.0149  0.0009  0.0046  323 GLU A CA  
596  C C   . GLU A 79  ? 0.1896 0.2182 0.1890 0.0118  0.0009  0.0039  323 GLU A C   
597  O O   . GLU A 79  ? 0.1766 0.2018 0.1775 0.0089  0.0010  0.0028  323 GLU A O   
598  C CB  . GLU A 79  ? 0.2606 0.2823 0.2532 0.0159  -0.0007 0.0024  323 GLU A CB  
599  C CG  . GLU A 79  ? 0.3427 0.3636 0.3317 0.0197  -0.0015 0.0022  323 GLU A CG  
600  C CD  . GLU A 79  ? 0.4239 0.4386 0.4097 0.0202  -0.0032 0.0001  323 GLU A CD  
601  O OE1 . GLU A 79  ? 0.4976 0.5094 0.4825 0.0190  -0.0041 -0.0010 323 GLU A OE1 
602  O OE2 . GLU A 79  ? 0.4753 0.4886 0.4595 0.0221  -0.0037 -0.0001 323 GLU A OE2 
603  N N   . VAL A 80  ? 0.1727 0.2063 0.1722 0.0129  0.0007  0.0044  324 VAL A N   
604  C CA  . VAL A 80  ? 0.1726 0.2083 0.1740 0.0107  0.0004  0.0034  324 VAL A CA  
605  C C   . VAL A 80  ? 0.1689 0.2029 0.1657 0.0128  -0.0011 0.0018  324 VAL A C   
606  O O   . VAL A 80  ? 0.1583 0.1941 0.1521 0.0162  -0.0016 0.0023  324 VAL A O   
607  C CB  . VAL A 80  ? 0.1859 0.2290 0.1913 0.0103  0.0014  0.0053  324 VAL A CB  
608  C CG1 . VAL A 80  ? 0.1916 0.2377 0.1989 0.0082  0.0008  0.0041  324 VAL A CG1 
609  C CG2 . VAL A 80  ? 0.1879 0.2325 0.1982 0.0083  0.0031  0.0074  324 VAL A CG2 
610  N N   . THR A 81  ? 0.1562 0.1867 0.1524 0.0109  -0.0018 0.0001  325 THR A N   
611  C CA  . THR A 81  ? 0.1580 0.1867 0.1501 0.0128  -0.0031 -0.0009 325 THR A CA  
612  C C   . THR A 81  ? 0.1553 0.1858 0.1487 0.0107  -0.0034 -0.0021 325 THR A C   
613  O O   . THR A 81  ? 0.1554 0.1881 0.1527 0.0078  -0.0028 -0.0024 325 THR A O   
614  C CB  . THR A 81  ? 0.1625 0.1842 0.1518 0.0133  -0.0038 -0.0018 325 THR A CB  
615  O OG1 . THR A 81  ? 0.1541 0.1733 0.1450 0.0101  -0.0035 -0.0027 325 THR A OG1 
616  C CG2 . THR A 81  ? 0.1739 0.1936 0.1628 0.0144  -0.0034 -0.0011 325 THR A CG2 
617  N N   . PRO A 82  ? 0.1706 0.2002 0.1607 0.0122  -0.0045 -0.0028 326 PRO A N   
618  C CA  . PRO A 82  ? 0.1640 0.1961 0.1551 0.0106  -0.0048 -0.0039 326 PRO A CA  
619  C C   . PRO A 82  ? 0.1537 0.1828 0.1467 0.0073  -0.0045 -0.0052 326 PRO A C   
620  O O   . PRO A 82  ? 0.1613 0.1933 0.1561 0.0056  -0.0047 -0.0063 326 PRO A O   
621  C CB  . PRO A 82  ? 0.1709 0.2014 0.1575 0.0135  -0.0058 -0.0039 326 PRO A CB  
622  C CG  . PRO A 82  ? 0.1731 0.2027 0.1573 0.0169  -0.0060 -0.0029 326 PRO A CG  
623  C CD  . PRO A 82  ? 0.1783 0.2051 0.1640 0.0158  -0.0053 -0.0025 326 PRO A CD  
624  N N   . SER A 83  ? 0.1473 0.1709 0.1399 0.0067  -0.0041 -0.0051 327 SER A N   
625  C CA  . SER A 83  ? 0.1470 0.1678 0.1412 0.0040  -0.0038 -0.0062 327 SER A CA  
626  C C   . SER A 83  ? 0.1437 0.1658 0.1424 0.0014  -0.0028 -0.0063 327 SER A C   
627  O O   . SER A 83  ? 0.1404 0.1610 0.1410 -0.0009 -0.0026 -0.0075 327 SER A O   
628  C CB  . SER A 83  ? 0.1491 0.1639 0.1410 0.0044  -0.0039 -0.0061 327 SER A CB  
629  O OG  . SER A 83  ? 0.1572 0.1698 0.1487 0.0055  -0.0037 -0.0050 327 SER A OG  
630  N N   . GLY A 84  ? 0.1417 0.1662 0.1421 0.0020  -0.0022 -0.0048 328 GLY A N   
631  C CA  . GLY A 84  ? 0.1349 0.1605 0.1399 -0.0002 -0.0011 -0.0043 328 GLY A CA  
632  C C   . GLY A 84  ? 0.1271 0.1527 0.1325 0.0011  -0.0002 -0.0021 328 GLY A C   
633  O O   . GLY A 84  ? 0.1165 0.1428 0.1188 0.0041  -0.0006 -0.0012 328 GLY A O   
634  N N   . THR A 85  ? 0.1225 0.1474 0.1317 -0.0008 0.0009  -0.0013 329 THR A N   
635  C CA  . THR A 85  ? 0.1230 0.1482 0.1330 0.0004  0.0020  0.0009  329 THR A CA  
636  C C   . THR A 85  ? 0.1207 0.1402 0.1293 0.0003  0.0023  0.0007  329 THR A C   
637  O O   . THR A 85  ? 0.1213 0.1380 0.1319 -0.0021 0.0026  -0.0003 329 THR A O   
638  C CB  . THR A 85  ? 0.1190 0.1481 0.1345 -0.0014 0.0033  0.0025  329 THR A CB  
639  O OG1 . THR A 85  ? 0.1201 0.1549 0.1366 -0.0013 0.0028  0.0026  329 THR A OG1 
640  C CG2 . THR A 85  ? 0.1198 0.1502 0.1361 0.0002  0.0047  0.0054  329 THR A CG2 
641  N N   . TRP A 86  ? 0.1181 0.1364 0.1236 0.0030  0.0021  0.0015  330 TRP A N   
642  C CA  . TRP A 86  ? 0.1250 0.1385 0.1288 0.0033  0.0021  0.0011  330 TRP A CA  
643  C C   . TRP A 86  ? 0.1299 0.1443 0.1344 0.0048  0.0031  0.0032  330 TRP A C   
644  O O   . TRP A 86  ? 0.1416 0.1593 0.1450 0.0074  0.0032  0.0045  330 TRP A O   
645  C CB  . TRP A 86  ? 0.1252 0.1360 0.1243 0.0054  0.0004  -0.0001 330 TRP A CB  
646  C CG  . TRP A 86  ? 0.1332 0.1430 0.1313 0.0042  -0.0004 -0.0017 330 TRP A CG  
647  C CD1 . TRP A 86  ? 0.1379 0.1510 0.1356 0.0045  -0.0009 -0.0021 330 TRP A CD1 
648  C CD2 . TRP A 86  ? 0.1378 0.1435 0.1352 0.0027  -0.0007 -0.0031 330 TRP A CD2 
649  N NE1 . TRP A 86  ? 0.1411 0.1525 0.1379 0.0034  -0.0016 -0.0036 330 TRP A NE1 
650  C CE2 . TRP A 86  ? 0.1404 0.1473 0.1369 0.0023  -0.0015 -0.0041 330 TRP A CE2 
651  C CE3 . TRP A 86  ? 0.1443 0.1462 0.1417 0.0018  -0.0005 -0.0033 330 TRP A CE3 
652  C CZ2 . TRP A 86  ? 0.1413 0.1456 0.1368 0.0012  -0.0019 -0.0052 330 TRP A CZ2 
653  C CZ3 . TRP A 86  ? 0.1455 0.1447 0.1421 0.0006  -0.0009 -0.0044 330 TRP A CZ3 
654  C CH2 . TRP A 86  ? 0.1427 0.1432 0.1383 0.0004  -0.0015 -0.0053 330 TRP A CH2 
655  N N   . LEU A 87  ? 0.1250 0.1366 0.1313 0.0035  0.0041  0.0036  331 LEU A N   
656  C CA  . LEU A 87  ? 0.1332 0.1453 0.1395 0.0053  0.0050  0.0055  331 LEU A CA  
657  C C   . LEU A 87  ? 0.1270 0.1359 0.1292 0.0072  0.0036  0.0042  331 LEU A C   
658  O O   . LEU A 87  ? 0.1319 0.1368 0.1337 0.0058  0.0032  0.0028  331 LEU A O   
659  C CB  . LEU A 87  ? 0.1483 0.1587 0.1586 0.0029  0.0066  0.0064  331 LEU A CB  
660  C CG  . LEU A 87  ? 0.1673 0.1792 0.1791 0.0044  0.0082  0.0092  331 LEU A CG  
661  C CD1 . LEU A 87  ? 0.1914 0.2090 0.2047 0.0059  0.0091  0.0117  331 LEU A CD1 
662  C CD2 . LEU A 87  ? 0.1783 0.1879 0.1941 0.0019  0.0097  0.0100  331 LEU A CD2 
663  N N   . THR A 88  ? 0.1245 0.1353 0.1238 0.0105  0.0029  0.0045  332 THR A N   
664  C CA  . THR A 88  ? 0.1277 0.1356 0.1236 0.0123  0.0014  0.0030  332 THR A CA  
665  C C   . THR A 88  ? 0.1269 0.1349 0.1232 0.0134  0.0021  0.0042  332 THR A C   
666  O O   . THR A 88  ? 0.1141 0.1257 0.1122 0.0144  0.0037  0.0065  332 THR A O   
667  C CB  . THR A 88  ? 0.1404 0.1497 0.1328 0.0153  0.0000  0.0022  332 THR A CB  
668  O OG1 . THR A 88  ? 0.1384 0.1527 0.1310 0.0179  0.0008  0.0041  332 THR A OG1 
669  C CG2 . THR A 88  ? 0.1530 0.1624 0.1450 0.0144  -0.0006 0.0013  332 THR A CG2 
670  N N   . TYR A 89  ? 0.1237 0.1281 0.1185 0.0133  0.0011  0.0027  333 TYR A N   
671  C CA  . TYR A 89  ? 0.1232 0.1283 0.1180 0.0148  0.0015  0.0036  333 TYR A CA  
672  C C   . TYR A 89  ? 0.1311 0.1340 0.1227 0.0165  -0.0006 0.0014  333 TYR A C   
673  O O   . TYR A 89  ? 0.1304 0.1297 0.1210 0.0152  -0.0020 -0.0003 333 TYR A O   
674  C CB  . TYR A 89  ? 0.1224 0.1257 0.1202 0.0123  0.0031  0.0046  333 TYR A CB  
675  C CG  . TYR A 89  ? 0.1160 0.1149 0.1139 0.0096  0.0024  0.0027  333 TYR A CG  
676  C CD1 . TYR A 89  ? 0.1095 0.1071 0.1088 0.0071  0.0027  0.0022  333 TYR A CD1 
677  C CD2 . TYR A 89  ? 0.1210 0.1175 0.1177 0.0098  0.0013  0.0017  333 TYR A CD2 
678  C CE1 . TYR A 89  ? 0.1079 0.1021 0.1070 0.0051  0.0021  0.0007  333 TYR A CE1 
679  C CE2 . TYR A 89  ? 0.1146 0.1077 0.1116 0.0075  0.0009  0.0004  333 TYR A CE2 
680  C CZ  . TYR A 89  ? 0.1081 0.1001 0.1062 0.0053  0.0013  0.0000  333 TYR A CZ  
681  O OH  . TYR A 89  ? 0.1066 0.0958 0.1048 0.0034  0.0009  -0.0009 333 TYR A OH  
682  N N   . THR A 90  ? 0.1386 0.1440 0.1287 0.0196  -0.0009 0.0018  334 THR A N   
683  C CA  . THR A 90  ? 0.1469 0.1504 0.1349 0.0209  -0.0030 -0.0002 334 THR A CA  
684  C C   . THR A 90  ? 0.1420 0.1482 0.1305 0.0225  -0.0021 0.0010  334 THR A C   
685  O O   . THR A 90  ? 0.1298 0.1399 0.1194 0.0238  -0.0001 0.0035  334 THR A O   
686  C CB  . THR A 90  ? 0.1684 0.1720 0.1529 0.0237  -0.0053 -0.0023 334 THR A CB  
687  O OG1 . THR A 90  ? 0.2030 0.2118 0.1864 0.0274  -0.0047 -0.0011 334 THR A OG1 
688  C CG2 . THR A 90  ? 0.1685 0.1706 0.1524 0.0229  -0.0057 -0.0029 334 THR A CG2 
689  N N   . GLY A 91  ? 0.1413 0.1456 0.1292 0.0225  -0.0035 -0.0005 335 GLY A N   
690  C CA  . GLY A 91  ? 0.1463 0.1536 0.1341 0.0247  -0.0031 0.0002  335 GLY A CA  
691  C C   . GLY A 91  ? 0.1488 0.1540 0.1361 0.0242  -0.0051 -0.0020 335 GLY A C   
692  O O   . GLY A 91  ? 0.1359 0.1371 0.1228 0.0224  -0.0070 -0.0042 335 GLY A O   
693  N N   . ALA A 92  ? 0.1525 0.1607 0.1399 0.0260  -0.0047 -0.0012 336 ALA A N   
694  C CA  . ALA A 92  ? 0.1701 0.1773 0.1576 0.0257  -0.0064 -0.0030 336 ALA A CA  
695  C C   . ALA A 92  ? 0.1833 0.1933 0.1724 0.0263  -0.0045 -0.0007 336 ALA A C   
696  O O   . ALA A 92  ? 0.1843 0.1984 0.1731 0.0288  -0.0028 0.0016  336 ALA A O   
697  C CB  . ALA A 92  ? 0.1794 0.1877 0.1641 0.0285  -0.0095 -0.0060 336 ALA A CB  
698  N N   . ILE A 93  ? 0.1932 0.2012 0.1840 0.0240  -0.0047 -0.0011 337 ILE A N   
699  C CA  . ILE A 93  ? 0.1968 0.2071 0.1890 0.0246  -0.0031 0.0008  337 ILE A CA  
700  C C   . ILE A 93  ? 0.2067 0.2187 0.1981 0.0259  -0.0055 -0.0013 337 ILE A C   
701  O O   . ILE A 93  ? 0.1720 0.1812 0.1639 0.0238  -0.0076 -0.0037 337 ILE A O   
702  C CB  . ILE A 93  ? 0.2083 0.2151 0.2033 0.0210  -0.0012 0.0021  337 ILE A CB  
703  C CG1 . ILE A 93  ? 0.2270 0.2329 0.2231 0.0202  0.0011  0.0043  337 ILE A CG1 
704  C CG2 . ILE A 93  ? 0.2062 0.2145 0.2026 0.0214  0.0000  0.0035  337 ILE A CG2 
705  C CD1 . ILE A 93  ? 0.2427 0.2443 0.2407 0.0165  0.0020  0.0043  337 ILE A CD1 
706  N N   . LYS A 94  ? 0.2248 0.2420 0.2154 0.0293  -0.0051 -0.0003 338 LYS A N   
707  C CA  . LYS A 94  ? 0.2449 0.2648 0.2346 0.0311  -0.0077 -0.0027 338 LYS A CA  
708  C C   . LYS A 94  ? 0.2337 0.2530 0.2258 0.0290  -0.0071 -0.0021 338 LYS A C   
709  O O   . LYS A 94  ? 0.2470 0.2673 0.2405 0.0291  -0.0044 0.0009  338 LYS A O   
710  C CB  . LYS A 94  ? 0.2837 0.3100 0.2712 0.0360  -0.0075 -0.0019 338 LYS A CB  
711  C CG  . LYS A 94  ? 0.3357 0.3652 0.3219 0.0381  -0.0106 -0.0049 338 LYS A CG  
712  C CD  . LYS A 94  ? 0.4016 0.4383 0.3855 0.0434  -0.0104 -0.0041 338 LYS A CD  
713  C CE  . LYS A 94  ? 0.4715 0.5098 0.4522 0.0464  -0.0117 -0.0057 338 LYS A CE  
714  N NZ  . LYS A 94  ? 0.5565 0.5927 0.5362 0.0459  -0.0159 -0.0108 338 LYS A NZ  
715  N N   . LEU A 95  ? 0.2221 0.2399 0.2150 0.0271  -0.0098 -0.0049 339 LEU A N   
716  C CA  . LEU A 95  ? 0.2302 0.2490 0.2254 0.0258  -0.0096 -0.0045 339 LEU A CA  
717  C C   . LEU A 95  ? 0.2353 0.2604 0.2294 0.0296  -0.0102 -0.0045 339 LEU A C   
718  O O   . LEU A 95  ? 0.2334 0.2615 0.2253 0.0326  -0.0122 -0.0065 339 LEU A O   
719  C CB  . LEU A 95  ? 0.2401 0.2559 0.2369 0.0226  -0.0123 -0.0072 339 LEU A CB  
720  C CG  . LEU A 95  ? 0.2564 0.2668 0.2550 0.0185  -0.0112 -0.0065 339 LEU A CG  
721  C CD1 . LEU A 95  ? 0.2400 0.2470 0.2371 0.0180  -0.0111 -0.0068 339 LEU A CD1 
722  C CD2 . LEU A 95  ? 0.2740 0.2829 0.2750 0.0156  -0.0135 -0.0084 339 LEU A CD2 
723  N N   . ASP A 96  ? 0.2461 0.2732 0.2419 0.0296  -0.0087 -0.0026 340 ASP A N   
724  C CA  . ASP A 96  ? 0.2715 0.3049 0.2666 0.0331  -0.0091 -0.0023 340 ASP A CA  
725  C C   . ASP A 96  ? 0.2780 0.3130 0.2744 0.0319  -0.0125 -0.0056 340 ASP A C   
726  O O   . ASP A 96  ? 0.2502 0.2846 0.2492 0.0295  -0.0122 -0.0051 340 ASP A O   
727  C CB  . ASP A 96  ? 0.2894 0.3242 0.2859 0.0338  -0.0056 0.0016  340 ASP A CB  
728  C CG  . ASP A 96  ? 0.3141 0.3560 0.3098 0.0380  -0.0054 0.0027  340 ASP A CG  
729  O OD1 . ASP A 96  ? 0.3338 0.3768 0.3302 0.0393  -0.0023 0.0063  340 ASP A OD1 
730  O OD2 . ASP A 96  ? 0.2920 0.3379 0.2862 0.0400  -0.0084 -0.0001 340 ASP A OD2 
731  N N   . ASP A 97  ? 0.2936 0.3307 0.2884 0.0337  -0.0159 -0.0092 341 ASP A N   
732  C CA  . ASP A 97  ? 0.3433 0.3816 0.3398 0.0323  -0.0194 -0.0126 341 ASP A CA  
733  C C   . ASP A 97  ? 0.3573 0.4023 0.3545 0.0345  -0.0195 -0.0120 341 ASP A C   
734  O O   . ASP A 97  ? 0.3887 0.4357 0.3879 0.0333  -0.0223 -0.0146 341 ASP A O   
735  C CB  . ASP A 97  ? 0.3763 0.4139 0.3713 0.0330  -0.0233 -0.0171 341 ASP A CB  
736  C CG  . ASP A 97  ? 0.4382 0.4812 0.4295 0.0383  -0.0244 -0.0184 341 ASP A CG  
737  O OD1 . ASP A 97  ? 0.5304 0.5722 0.5200 0.0392  -0.0274 -0.0221 341 ASP A OD1 
738  O OD2 . ASP A 97  ? 0.4325 0.4809 0.4226 0.0417  -0.0223 -0.0157 341 ASP A OD2 
739  N N   . LYS A 98  ? 0.3694 0.4182 0.3655 0.0376  -0.0164 -0.0084 342 LYS A N   
740  C CA  . LYS A 98  ? 0.4058 0.4607 0.4027 0.0397  -0.0159 -0.0071 342 LYS A CA  
741  C C   . LYS A 98  ? 0.3396 0.3923 0.3394 0.0368  -0.0134 -0.0044 342 LYS A C   
742  O O   . LYS A 98  ? 0.3438 0.4011 0.3450 0.0377  -0.0134 -0.0037 342 LYS A O   
743  C CB  . LYS A 98  ? 0.4599 0.5201 0.4540 0.0450  -0.0137 -0.0043 342 LYS A CB  
744  C CG  . LYS A 98  ? 0.5556 0.6198 0.5464 0.0489  -0.0161 -0.0069 342 LYS A CG  
745  C CD  . LYS A 98  ? 0.6401 0.7096 0.6309 0.0501  -0.0203 -0.0112 342 LYS A CD  
746  C CE  . LYS A 98  ? 0.7129 0.7898 0.7000 0.0561  -0.0213 -0.0120 342 LYS A CE  
747  N NZ  . LYS A 98  ? 0.7423 0.8242 0.7294 0.0573  -0.0259 -0.0170 342 LYS A NZ  
748  N N   . ASP A 99  ? 0.2720 0.3182 0.2728 0.0336  -0.0114 -0.0028 343 ASP A N   
749  C CA  . ASP A 99  ? 0.2522 0.2960 0.2555 0.0311  -0.0091 -0.0005 343 ASP A CA  
750  C C   . ASP A 99  ? 0.2327 0.2773 0.2389 0.0281  -0.0118 -0.0029 343 ASP A C   
751  O O   . ASP A 99  ? 0.2297 0.2717 0.2366 0.0256  -0.0144 -0.0058 343 ASP A O   
752  C CB  . ASP A 99  ? 0.2484 0.2854 0.2518 0.0285  -0.0068 0.0009  343 ASP A CB  
753  C CG  . ASP A 99  ? 0.2529 0.2872 0.2584 0.0264  -0.0041 0.0033  343 ASP A CG  
754  O OD1 . ASP A 99  ? 0.2623 0.2920 0.2676 0.0252  -0.0019 0.0049  343 ASP A OD1 
755  O OD2 . ASP A 99  ? 0.2580 0.2950 0.2655 0.0258  -0.0046 0.0033  343 ASP A OD2 
756  N N   . PRO A 100 ? 0.2249 0.2736 0.2330 0.0284  -0.0112 -0.0018 344 PRO A N   
757  C CA  . PRO A 100 ? 0.2308 0.2805 0.2422 0.0253  -0.0136 -0.0037 344 PRO A CA  
758  C C   . PRO A 100 ? 0.2162 0.2595 0.2295 0.0207  -0.0135 -0.0039 344 PRO A C   
759  O O   . PRO A 100 ? 0.2184 0.2616 0.2344 0.0177  -0.0160 -0.0059 344 PRO A O   
760  C CB  . PRO A 100 ? 0.2291 0.2836 0.2419 0.0267  -0.0117 -0.0011 344 PRO A CB  
761  C CG  . PRO A 100 ? 0.2393 0.2972 0.2492 0.0316  -0.0098 0.0008  344 PRO A CG  
762  C CD  . PRO A 100 ? 0.2314 0.2838 0.2390 0.0317  -0.0082 0.0016  344 PRO A CD  
763  N N   . ASN A 101 ? 0.2327 0.2710 0.2449 0.0201  -0.0105 -0.0017 345 ASN A N   
764  C CA  . ASN A 101 ? 0.2575 0.2901 0.2710 0.0162  -0.0101 -0.0016 345 ASN A CA  
765  C C   . ASN A 101 ? 0.2427 0.2708 0.2549 0.0148  -0.0119 -0.0038 345 ASN A C   
766  O O   . ASN A 101 ? 0.2538 0.2771 0.2667 0.0120  -0.0114 -0.0037 345 ASN A O   
767  C CB  . ASN A 101 ? 0.2696 0.2989 0.2824 0.0162  -0.0063 0.0012  345 ASN A CB  
768  C CG  . ASN A 101 ? 0.3053 0.3381 0.3192 0.0176  -0.0042 0.0035  345 ASN A CG  
769  O OD1 . ASN A 101 ? 0.3272 0.3625 0.3436 0.0161  -0.0050 0.0034  345 ASN A OD1 
770  N ND2 . ASN A 101 ? 0.3254 0.3585 0.3377 0.0205  -0.0015 0.0058  345 ASN A ND2 
771  N N   . PHE A 102 ? 0.2346 0.2645 0.2449 0.0172  -0.0139 -0.0059 346 PHE A N   
772  C CA  . PHE A 102 ? 0.2284 0.2544 0.2371 0.0166  -0.0155 -0.0080 346 PHE A CA  
773  C C   . PHE A 102 ? 0.2447 0.2669 0.2558 0.0127  -0.0178 -0.0099 346 PHE A C   
774  O O   . PHE A 102 ? 0.2246 0.2417 0.2352 0.0109  -0.0173 -0.0098 346 PHE A O   
775  C CB  . PHE A 102 ? 0.2288 0.2586 0.2352 0.0201  -0.0178 -0.0102 346 PHE A CB  
776  C CG  . PHE A 102 ? 0.2455 0.2720 0.2502 0.0201  -0.0201 -0.0131 346 PHE A CG  
777  C CD1 . PHE A 102 ? 0.2598 0.2864 0.2656 0.0192  -0.0241 -0.0169 346 PHE A CD1 
778  C CD2 . PHE A 102 ? 0.2573 0.2804 0.2594 0.0209  -0.0184 -0.0120 346 PHE A CD2 
779  C CE1 . PHE A 102 ? 0.2729 0.2962 0.2768 0.0196  -0.0263 -0.0196 346 PHE A CE1 
780  C CE2 . PHE A 102 ? 0.2715 0.2919 0.2719 0.0212  -0.0205 -0.0145 346 PHE A CE2 
781  C CZ  . PHE A 102 ? 0.2764 0.2968 0.2775 0.0208  -0.0245 -0.0183 346 PHE A CZ  
782  N N   . LYS A 103 ? 0.2447 0.2696 0.2585 0.0114  -0.0205 -0.0117 347 LYS A N   
783  C CA  . LYS A 103 ? 0.2812 0.3026 0.2981 0.0075  -0.0226 -0.0132 347 LYS A CA  
784  C C   . LYS A 103 ? 0.2414 0.2589 0.2595 0.0047  -0.0200 -0.0105 347 LYS A C   
785  O O   . LYS A 103 ? 0.2142 0.2268 0.2325 0.0025  -0.0206 -0.0109 347 LYS A O   
786  C CB  . LYS A 103 ? 0.3262 0.3514 0.3470 0.0059  -0.0252 -0.0146 347 LYS A CB  
787  C CG  . LYS A 103 ? 0.4221 0.4499 0.4428 0.0075  -0.0291 -0.0185 347 LYS A CG  
788  C CD  . LYS A 103 ? 0.4737 0.5035 0.4994 0.0045  -0.0323 -0.0205 347 LYS A CD  
789  C CE  . LYS A 103 ? 0.5303 0.5606 0.5562 0.0052  -0.0368 -0.0251 347 LYS A CE  
790  N NZ  . LYS A 103 ? 0.5660 0.6038 0.5912 0.0085  -0.0383 -0.0268 347 LYS A NZ  
791  N N   . ASP A 104 ? 0.2361 0.2559 0.2548 0.0049  -0.0172 -0.0077 348 ASP A N   
792  C CA  . ASP A 104 ? 0.2501 0.2669 0.2698 0.0026  -0.0148 -0.0053 348 ASP A CA  
793  C C   . ASP A 104 ? 0.2415 0.2536 0.2582 0.0030  -0.0129 -0.0046 348 ASP A C   
794  O O   . ASP A 104 ? 0.2317 0.2401 0.2490 0.0007  -0.0121 -0.0039 348 ASP A O   
795  C CB  . ASP A 104 ? 0.2633 0.2838 0.2842 0.0032  -0.0124 -0.0029 348 ASP A CB  
796  C CG  . ASP A 104 ? 0.2997 0.3249 0.3244 0.0018  -0.0140 -0.0031 348 ASP A CG  
797  O OD1 . ASP A 104 ? 0.3720 0.4012 0.3975 0.0030  -0.0123 -0.0013 348 ASP A OD1 
798  O OD2 . ASP A 104 ? 0.3055 0.3304 0.3327 -0.0003 -0.0169 -0.0049 348 ASP A OD2 
799  N N   . GLN A 105 ? 0.2154 0.2280 0.2291 0.0060  -0.0121 -0.0047 349 GLN A N   
800  C CA  . GLN A 105 ? 0.2233 0.2319 0.2344 0.0065  -0.0106 -0.0042 349 GLN A CA  
801  C C   . GLN A 105 ? 0.2244 0.2292 0.2351 0.0050  -0.0127 -0.0062 349 GLN A C   
802  O O   . GLN A 105 ? 0.2047 0.2058 0.2148 0.0036  -0.0117 -0.0055 349 GLN A O   
803  C CB  . GLN A 105 ? 0.2200 0.2308 0.2285 0.0100  -0.0095 -0.0037 349 GLN A CB  
804  C CG  . GLN A 105 ? 0.2299 0.2433 0.2387 0.0116  -0.0068 -0.0012 349 GLN A CG  
805  C CD  . GLN A 105 ? 0.2297 0.2467 0.2367 0.0154  -0.0062 -0.0006 349 GLN A CD  
806  O OE1 . GLN A 105 ? 0.2373 0.2552 0.2424 0.0172  -0.0077 -0.0020 349 GLN A OE1 
807  N NE2 . GLN A 105 ? 0.2297 0.2487 0.2370 0.0169  -0.0037 0.0017  349 GLN A NE2 
808  N N   . VAL A 106 ? 0.2279 0.2339 0.2389 0.0055  -0.0158 -0.0087 350 VAL A N   
809  C CA  . VAL A 106 ? 0.2414 0.2436 0.2521 0.0044  -0.0182 -0.0108 350 VAL A CA  
810  C C   . VAL A 106 ? 0.2380 0.2371 0.2517 0.0006  -0.0185 -0.0102 350 VAL A C   
811  O O   . VAL A 106 ? 0.2535 0.2483 0.2665 -0.0005 -0.0184 -0.0101 350 VAL A O   
812  C CB  . VAL A 106 ? 0.2574 0.2617 0.2679 0.0060  -0.0216 -0.0140 350 VAL A CB  
813  C CG1 . VAL A 106 ? 0.2650 0.2649 0.2760 0.0045  -0.0246 -0.0166 350 VAL A CG1 
814  C CG2 . VAL A 106 ? 0.2603 0.2676 0.2673 0.0102  -0.0212 -0.0144 350 VAL A CG2 
815  N N   . ILE A 107 ? 0.2235 0.2251 0.2405 -0.0010 -0.0185 -0.0093 351 ILE A N   
816  C CA  . ILE A 107 ? 0.2337 0.2331 0.2537 -0.0044 -0.0184 -0.0081 351 ILE A CA  
817  C C   . ILE A 107 ? 0.2090 0.2060 0.2276 -0.0050 -0.0154 -0.0057 351 ILE A C   
818  O O   . ILE A 107 ? 0.1844 0.1779 0.2035 -0.0068 -0.0154 -0.0053 351 ILE A O   
819  C CB  . ILE A 107 ? 0.2524 0.2559 0.2764 -0.0060 -0.0188 -0.0073 351 ILE A CB  
820  C CG1 . ILE A 107 ? 0.2925 0.2982 0.3187 -0.0061 -0.0225 -0.0100 351 ILE A CG1 
821  C CG2 . ILE A 107 ? 0.2543 0.2565 0.2813 -0.0092 -0.0179 -0.0051 351 ILE A CG2 
822  C CD1 . ILE A 107 ? 0.2871 0.2982 0.3170 -0.0070 -0.0228 -0.0093 351 ILE A CD1 
823  N N   . LEU A 108 ? 0.2011 0.2001 0.2181 -0.0033 -0.0127 -0.0042 352 LEU A N   
824  C CA  . LEU A 108 ? 0.2043 0.2013 0.2201 -0.0037 -0.0100 -0.0024 352 LEU A CA  
825  C C   . LEU A 108 ? 0.1958 0.1889 0.2089 -0.0033 -0.0100 -0.0031 352 LEU A C   
826  O O   . LEU A 108 ? 0.2008 0.1913 0.2139 -0.0048 -0.0093 -0.0024 352 LEU A O   
827  C CB  . LEU A 108 ? 0.2079 0.2076 0.2228 -0.0018 -0.0075 -0.0011 352 LEU A CB  
828  C CG  . LEU A 108 ? 0.2158 0.2134 0.2292 -0.0017 -0.0047 0.0002  352 LEU A CG  
829  C CD1 . LEU A 108 ? 0.2191 0.2165 0.2342 -0.0038 -0.0038 0.0015  352 LEU A CD1 
830  C CD2 . LEU A 108 ? 0.2199 0.2196 0.2325 0.0005  -0.0026 0.0013  352 LEU A CD2 
831  N N   . LEU A 109 ? 0.1751 0.1682 0.1859 -0.0011 -0.0107 -0.0045 353 LEU A N   
832  C CA  . LEU A 109 ? 0.1976 0.1877 0.2060 -0.0005 -0.0109 -0.0052 353 LEU A CA  
833  C C   . LEU A 109 ? 0.2079 0.1947 0.2172 -0.0023 -0.0130 -0.0063 353 LEU A C   
834  O O   . LEU A 109 ? 0.2067 0.1908 0.2153 -0.0032 -0.0123 -0.0057 353 LEU A O   
835  C CB  . LEU A 109 ? 0.1937 0.1853 0.1998 0.0024  -0.0114 -0.0063 353 LEU A CB  
836  C CG  . LEU A 109 ? 0.1840 0.1781 0.1892 0.0042  -0.0088 -0.0046 353 LEU A CG  
837  C CD1 . LEU A 109 ? 0.1855 0.1823 0.1889 0.0073  -0.0095 -0.0054 353 LEU A CD1 
838  C CD2 . LEU A 109 ? 0.1870 0.1791 0.1915 0.0037  -0.0064 -0.0032 353 LEU A CD2 
839  N N   . ASN A 110 ? 0.2339 0.2210 0.2450 -0.0029 -0.0156 -0.0077 354 ASN A N   
840  C CA  . ASN A 110 ? 0.2478 0.2314 0.2600 -0.0045 -0.0177 -0.0088 354 ASN A CA  
841  C C   . ASN A 110 ? 0.2265 0.2085 0.2409 -0.0072 -0.0165 -0.0066 354 ASN A C   
842  O O   . ASN A 110 ? 0.2278 0.2062 0.2420 -0.0082 -0.0171 -0.0065 354 ASN A O   
843  C CB  . ASN A 110 ? 0.2723 0.2565 0.2867 -0.0048 -0.0209 -0.0110 354 ASN A CB  
844  C CG  . ASN A 110 ? 0.3137 0.2977 0.3252 -0.0019 -0.0229 -0.0138 354 ASN A CG  
845  O OD1 . ASN A 110 ? 0.3466 0.3290 0.3550 -0.0002 -0.0222 -0.0140 354 ASN A OD1 
846  N ND2 . ASN A 110 ? 0.3459 0.3321 0.3587 -0.0013 -0.0254 -0.0161 354 ASN A ND2 
847  N N   . LYS A 111 ? 0.2139 0.1988 0.2300 -0.0081 -0.0148 -0.0047 355 LYS A N   
848  C CA  . LYS A 111 ? 0.2302 0.2147 0.2482 -0.0103 -0.0134 -0.0024 355 LYS A CA  
849  C C   . LYS A 111 ? 0.1867 0.1690 0.2021 -0.0099 -0.0114 -0.0015 355 LYS A C   
850  O O   . LYS A 111 ? 0.1730 0.1540 0.1893 -0.0114 -0.0109 0.0000  355 LYS A O   
851  C CB  . LYS A 111 ? 0.2817 0.2703 0.3017 -0.0107 -0.0118 -0.0008 355 LYS A CB  
852  C CG  . LYS A 111 ? 0.3374 0.3266 0.3588 -0.0123 -0.0099 0.0016  355 LYS A CG  
853  C CD  . LYS A 111 ? 0.4147 0.4083 0.4387 -0.0128 -0.0088 0.0032  355 LYS A CD  
854  C CE  . LYS A 111 ? 0.4606 0.4563 0.4823 -0.0108 -0.0066 0.0035  355 LYS A CE  
855  N NZ  . LYS A 111 ? 0.5046 0.5045 0.5285 -0.0110 -0.0053 0.0051  355 LYS A NZ  
856  N N   . HIS A 112 ? 0.1576 0.1398 0.1698 -0.0078 -0.0104 -0.0022 356 HIS A N   
857  C CA  . HIS A 112 ? 0.1416 0.1225 0.1516 -0.0075 -0.0087 -0.0015 356 HIS A CA  
858  C C   . HIS A 112 ? 0.1382 0.1162 0.1461 -0.0066 -0.0099 -0.0028 356 HIS A C   
859  O O   . HIS A 112 ? 0.1387 0.1151 0.1455 -0.0070 -0.0092 -0.0021 356 HIS A O   
860  C CB  . HIS A 112 ? 0.1327 0.1156 0.1414 -0.0062 -0.0065 -0.0012 356 HIS A CB  
861  C CG  . HIS A 112 ? 0.1265 0.1118 0.1369 -0.0068 -0.0050 0.0001  356 HIS A CG  
862  N ND1 . HIS A 112 ? 0.1184 0.1038 0.1294 -0.0080 -0.0037 0.0015  356 HIS A ND1 
863  C CD2 . HIS A 112 ? 0.1205 0.1086 0.1322 -0.0063 -0.0046 0.0005  356 HIS A CD2 
864  C CE1 . HIS A 112 ? 0.1199 0.1079 0.1323 -0.0081 -0.0025 0.0025  356 HIS A CE1 
865  N NE2 . HIS A 112 ? 0.1160 0.1057 0.1290 -0.0071 -0.0031 0.0019  356 HIS A NE2 
866  N N   . ILE A 113 ? 0.1401 0.1177 0.1472 -0.0053 -0.0118 -0.0046 357 ILE A N   
867  C CA  . ILE A 113 ? 0.1479 0.1230 0.1529 -0.0041 -0.0131 -0.0060 357 ILE A CA  
868  C C   . ILE A 113 ? 0.1498 0.1215 0.1561 -0.0057 -0.0144 -0.0057 357 ILE A C   
869  O O   . ILE A 113 ? 0.1418 0.1126 0.1506 -0.0069 -0.0162 -0.0062 357 ILE A O   
870  C CB  . ILE A 113 ? 0.1551 0.1310 0.1590 -0.0020 -0.0150 -0.0081 357 ILE A CB  
871  C CG1 . ILE A 113 ? 0.1613 0.1405 0.1637 0.0000  -0.0133 -0.0078 357 ILE A CG1 
872  C CG2 . ILE A 113 ? 0.1623 0.1354 0.1641 -0.0006 -0.0167 -0.0097 357 ILE A CG2 
873  C CD1 . ILE A 113 ? 0.1698 0.1511 0.1713 0.0022  -0.0149 -0.0096 357 ILE A CD1 
874  N N   . ASP A 114 ? 0.1486 0.1186 0.1533 -0.0056 -0.0135 -0.0049 358 ASP A N   
875  C CA  . ASP A 114 ? 0.1440 0.1107 0.1494 -0.0066 -0.0144 -0.0043 358 ASP A CA  
876  C C   . ASP A 114 ? 0.1399 0.1066 0.1486 -0.0091 -0.0140 -0.0023 358 ASP A C   
877  O O   . ASP A 114 ? 0.1482 0.1121 0.1586 -0.0102 -0.0151 -0.0016 358 ASP A O   
878  C CB  . ASP A 114 ? 0.1508 0.1144 0.1558 -0.0056 -0.0172 -0.0065 358 ASP A CB  
879  C CG  . ASP A 114 ? 0.1559 0.1188 0.1574 -0.0030 -0.0176 -0.0080 358 ASP A CG  
880  O OD1 . ASP A 114 ? 0.1591 0.1233 0.1585 -0.0022 -0.0158 -0.0072 358 ASP A OD1 
881  O OD2 . ASP A 114 ? 0.1817 0.1428 0.1826 -0.0016 -0.0199 -0.0102 358 ASP A OD2 
882  N N   . ALA A 115 ? 0.1342 0.1042 0.1439 -0.0099 -0.0122 -0.0010 359 ALA A N   
883  C CA  . ALA A 115 ? 0.1376 0.1086 0.1506 -0.0120 -0.0116 0.0012  359 ALA A CA  
884  C C   . ALA A 115 ? 0.1346 0.1044 0.1472 -0.0125 -0.0105 0.0032  359 ALA A C   
885  O O   . ALA A 115 ? 0.1278 0.0970 0.1432 -0.0142 -0.0107 0.0052  359 ALA A O   
886  C CB  . ALA A 115 ? 0.1332 0.1082 0.1468 -0.0121 -0.0098 0.0019  359 ALA A CB  
887  N N   . TYR A 116 ? 0.1359 0.1054 0.1451 -0.0110 -0.0095 0.0028  360 TYR A N   
888  C CA  . TYR A 116 ? 0.1389 0.1082 0.1472 -0.0110 -0.0083 0.0047  360 TYR A CA  
889  C C   . TYR A 116 ? 0.1453 0.1110 0.1551 -0.0117 -0.0097 0.0057  360 TYR A C   
890  O O   . TYR A 116 ? 0.1430 0.1088 0.1533 -0.0121 -0.0088 0.0081  360 TYR A O   
891  C CB  . TYR A 116 ? 0.1385 0.1082 0.1432 -0.0092 -0.0075 0.0035  360 TYR A CB  
892  C CG  . TYR A 116 ? 0.1452 0.1119 0.1482 -0.0079 -0.0092 0.0019  360 TYR A CG  
893  C CD1 . TYR A 116 ? 0.1583 0.1224 0.1606 -0.0075 -0.0098 0.0028  360 TYR A CD1 
894  C CD2 . TYR A 116 ? 0.1431 0.1095 0.1452 -0.0069 -0.0103 -0.0002 360 TYR A CD2 
895  C CE1 . TYR A 116 ? 0.1599 0.1211 0.1607 -0.0061 -0.0115 0.0013  360 TYR A CE1 
896  C CE2 . TYR A 116 ? 0.1483 0.1122 0.1487 -0.0054 -0.0119 -0.0017 360 TYR A CE2 
897  C CZ  . TYR A 116 ? 0.1566 0.1179 0.1564 -0.0050 -0.0126 -0.0010 360 TYR A CZ  
898  O OH  . TYR A 116 ? 0.1707 0.1294 0.1688 -0.0032 -0.0142 -0.0026 360 TYR A OH  
899  N N   . LYS A 117 ? 0.1549 0.1176 0.1656 -0.0118 -0.0120 0.0040  361 LYS A N   
900  C CA  . LYS A 117 ? 0.1694 0.1279 0.1817 -0.0123 -0.0136 0.0047  361 LYS A CA  
901  C C   . LYS A 117 ? 0.1742 0.1329 0.1908 -0.0148 -0.0132 0.0077  361 LYS A C   
902  O O   . LYS A 117 ? 0.1720 0.1276 0.1900 -0.0153 -0.0137 0.0094  361 LYS A O   
903  C CB  . LYS A 117 ? 0.1838 0.1390 0.1964 -0.0118 -0.0164 0.0018  361 LYS A CB  
904  C CG  . LYS A 117 ? 0.2041 0.1583 0.2125 -0.0091 -0.0169 -0.0004 361 LYS A CG  
905  C CD  . LYS A 117 ? 0.2324 0.1835 0.2408 -0.0082 -0.0198 -0.0034 361 LYS A CD  
906  C CE  . LYS A 117 ? 0.2501 0.2015 0.2542 -0.0053 -0.0200 -0.0055 361 LYS A CE  
907  N NZ  . LYS A 117 ? 0.2807 0.2295 0.2847 -0.0041 -0.0228 -0.0086 361 LYS A NZ  
908  N N   . THR A 118 ? 0.1728 0.1352 0.1917 -0.0161 -0.0124 0.0084  362 THR A N   
909  C CA  . THR A 118 ? 0.1762 0.1394 0.1998 -0.0185 -0.0123 0.0112  362 THR A CA  
910  C C   . THR A 118 ? 0.1743 0.1411 0.1979 -0.0186 -0.0095 0.0146  362 THR A C   
911  O O   . THR A 118 ? 0.1766 0.1451 0.2041 -0.0204 -0.0090 0.0175  362 THR A O   
912  C CB  . THR A 118 ? 0.1846 0.1501 0.2109 -0.0197 -0.0132 0.0099  362 THR A CB  
913  O OG1 . THR A 118 ? 0.1846 0.1546 0.2087 -0.0186 -0.0113 0.0097  362 THR A OG1 
914  C CG2 . THR A 118 ? 0.1902 0.1529 0.2162 -0.0192 -0.0160 0.0062  362 THR A CG2 
915  N N   . PHE A 119 ? 0.1655 0.1338 0.1849 -0.0167 -0.0079 0.0145  363 PHE A N   
916  C CA  . PHE A 119 ? 0.1624 0.1345 0.1814 -0.0164 -0.0054 0.0173  363 PHE A CA  
917  C C   . PHE A 119 ? 0.1576 0.1293 0.1725 -0.0143 -0.0046 0.0172  363 PHE A C   
918  O O   . PHE A 119 ? 0.1543 0.1239 0.1664 -0.0131 -0.0055 0.0146  363 PHE A O   
919  C CB  . PHE A 119 ? 0.1667 0.1435 0.1852 -0.0161 -0.0039 0.0169  363 PHE A CB  
920  C CG  . PHE A 119 ? 0.1602 0.1372 0.1758 -0.0148 -0.0042 0.0134  363 PHE A CG  
921  C CD1 . PHE A 119 ? 0.1574 0.1342 0.1743 -0.0153 -0.0054 0.0116  363 PHE A CD1 
922  C CD2 . PHE A 119 ? 0.1584 0.1363 0.1701 -0.0130 -0.0031 0.0122  363 PHE A CD2 
923  C CE1 . PHE A 119 ? 0.1579 0.1351 0.1723 -0.0140 -0.0053 0.0089  363 PHE A CE1 
924  C CE2 . PHE A 119 ? 0.1530 0.1310 0.1626 -0.0120 -0.0031 0.0095  363 PHE A CE2 
925  C CZ  . PHE A 119 ? 0.1533 0.1310 0.1642 -0.0124 -0.0041 0.0081  363 PHE A CZ  
926  N N   . PRO A 120 ? 0.1548 0.1291 0.1692 -0.0138 -0.0028 0.0200  364 PRO A N   
927  C CA  . PRO A 120 ? 0.1533 0.1286 0.1636 -0.0117 -0.0019 0.0194  364 PRO A CA  
928  C C   . PRO A 120 ? 0.1421 0.1198 0.1493 -0.0105 -0.0013 0.0163  364 PRO A C   
929  O O   . PRO A 120 ? 0.1451 0.1204 0.1498 -0.0094 -0.0022 0.0146  364 PRO A O   
930  C CB  . PRO A 120 ? 0.1577 0.1364 0.1684 -0.0113 0.0000  0.0231  364 PRO A CB  
931  C CG  . PRO A 120 ? 0.1623 0.1405 0.1781 -0.0135 -0.0002 0.0262  364 PRO A CG  
932  C CD  . PRO A 120 ? 0.1599 0.1368 0.1777 -0.0150 -0.0016 0.0239  364 PRO A CD  
933  N N   . LYS B 13  ? 0.3611 0.4171 0.4105 0.0171  0.0049  -0.0350 257 LYS C N   
934  C CA  . LYS B 13  ? 0.3314 0.3836 0.3801 0.0164  0.0031  -0.0333 257 LYS C CA  
935  C C   . LYS B 13  ? 0.2898 0.3366 0.3347 0.0155  0.0023  -0.0269 257 LYS C C   
936  O O   . LYS B 13  ? 0.2515 0.2989 0.2895 0.0157  0.0026  -0.0240 257 LYS C O   
937  C CB  . LYS B 13  ? 0.3528 0.4096 0.3967 0.0169  0.0029  -0.0356 257 LYS C CB  
938  C CG  . LYS B 13  ? 0.4151 0.4773 0.4629 0.0173  0.0035  -0.0426 257 LYS C CG  
939  C CD  . LYS B 13  ? 0.4506 0.5189 0.4931 0.0178  0.0033  -0.0449 257 LYS C CD  
940  C CE  . LYS B 13  ? 0.4912 0.5646 0.5259 0.0185  0.0044  -0.0425 257 LYS C CE  
941  N NZ  . LYS B 13  ? 0.5583 0.6384 0.5885 0.0188  0.0041  -0.0446 257 LYS C NZ  
942  N N   . PRO B 14  ? 0.2570 0.2986 0.3067 0.0144  0.0014  -0.0246 258 PRO C N   
943  C CA  . PRO B 14  ? 0.2342 0.2711 0.2805 0.0133  0.0007  -0.0189 258 PRO C CA  
944  C C   . PRO B 14  ? 0.1939 0.2297 0.2339 0.0130  0.0003  -0.0170 258 PRO C C   
945  O O   . PRO B 14  ? 0.1735 0.2088 0.2148 0.0128  -0.0004 -0.0185 258 PRO C O   
946  C CB  . PRO B 14  ? 0.2484 0.2811 0.3019 0.0120  -0.0006 -0.0177 258 PRO C CB  
947  C CG  . PRO B 14  ? 0.2587 0.2940 0.3204 0.0127  0.0000  -0.0222 258 PRO C CG  
948  C CD  . PRO B 14  ? 0.2757 0.3161 0.3350 0.0140  0.0009  -0.0272 258 PRO C CD  
949  N N   . ARG B 15  ? 0.1630 0.1985 0.1969 0.0131  0.0010  -0.0137 259 ARG C N   
950  C CA  . ARG B 15  ? 0.1660 0.2010 0.1945 0.0130  0.0010  -0.0121 259 ARG C CA  
951  C C   . ARG B 15  ? 0.1515 0.1821 0.1812 0.0116  -0.0002 -0.0110 259 ARG C C   
952  O O   . ARG B 15  ? 0.1433 0.1746 0.1718 0.0118  -0.0004 -0.0121 259 ARG C O   
953  C CB  . ARG B 15  ? 0.1863 0.2205 0.2101 0.0129  0.0019  -0.0083 259 ARG C CB  
954  C CG  . ARG B 15  ? 0.2043 0.2391 0.2232 0.0133  0.0025  -0.0066 259 ARG C CG  
955  C CD  . ARG B 15  ? 0.2111 0.2448 0.2268 0.0131  0.0036  -0.0029 259 ARG C CD  
956  N NE  . ARG B 15  ? 0.2423 0.2765 0.2547 0.0135  0.0042  -0.0012 259 ARG C NE  
957  C CZ  . ARG B 15  ? 0.2351 0.2658 0.2455 0.0126  0.0048  0.0016  259 ARG C CZ  
958  N NH1 . ARG B 15  ? 0.2428 0.2690 0.2533 0.0110  0.0047  0.0033  259 ARG C NH1 
959  N NH2 . ARG B 15  ? 0.2216 0.2538 0.2302 0.0133  0.0055  0.0028  259 ARG C NH2 
960  N N   . GLN B 16  ? 0.1406 0.1671 0.1729 0.0101  -0.0010 -0.0088 260 GLN C N   
961  C CA  . GLN B 16  ? 0.1383 0.1610 0.1713 0.0084  -0.0022 -0.0070 260 GLN C CA  
962  C C   . GLN B 16  ? 0.1418 0.1651 0.1797 0.0086  -0.0030 -0.0098 260 GLN C C   
963  O O   . GLN B 16  ? 0.1439 0.1648 0.1815 0.0075  -0.0037 -0.0086 260 GLN C O   
964  C CB  . GLN B 16  ? 0.1353 0.1546 0.1704 0.0066  -0.0031 -0.0039 260 GLN C CB  
965  C CG  . GLN B 16  ? 0.1300 0.1499 0.1725 0.0066  -0.0039 -0.0048 260 GLN C CG  
966  C CD  . GLN B 16  ? 0.1265 0.1483 0.1693 0.0076  -0.0030 -0.0051 260 GLN C CD  
967  O OE1 . GLN B 16  ? 0.1268 0.1507 0.1648 0.0087  -0.0016 -0.0056 260 GLN C OE1 
968  N NE2 . GLN B 16  ? 0.1179 0.1393 0.1669 0.0071  -0.0036 -0.0046 260 GLN C NE2 
969  N N   . LYS B 17  ? 0.1410 0.1675 0.1836 0.0098  -0.0029 -0.0136 261 LYS C N   
970  C CA  . LYS B 17  ? 0.1401 0.1672 0.1881 0.0099  -0.0037 -0.0166 261 LYS C CA  
971  C C   . LYS B 17  ? 0.1485 0.1795 0.1939 0.0112  -0.0032 -0.0200 261 LYS C C   
972  O O   . LYS B 17  ? 0.1627 0.1947 0.2122 0.0113  -0.0038 -0.0229 261 LYS C O   
973  C CB  . LYS B 17  ? 0.1398 0.1676 0.1965 0.0100  -0.0040 -0.0190 261 LYS C CB  
974  C CG  . LYS B 17  ? 0.1416 0.1658 0.2022 0.0086  -0.0049 -0.0151 261 LYS C CG  
975  C CD  . LYS B 17  ? 0.1372 0.1579 0.1984 0.0068  -0.0062 -0.0115 261 LYS C CD  
976  C CE  . LYS B 17  ? 0.1377 0.1562 0.2050 0.0054  -0.0074 -0.0083 261 LYS C CE  
977  N NZ  . LYS B 17  ? 0.1316 0.1474 0.1984 0.0035  -0.0086 -0.0043 261 LYS C NZ  
978  N N   . ARG B 18  ? 0.1543 0.1878 0.1932 0.0121  -0.0021 -0.0194 262 ARG C N   
979  C CA  . ARG B 18  ? 0.1473 0.1852 0.1838 0.0132  -0.0019 -0.0221 262 ARG C CA  
980  C C   . ARG B 18  ? 0.1378 0.1736 0.1735 0.0126  -0.0026 -0.0211 262 ARG C C   
981  O O   . ARG B 18  ? 0.1355 0.1669 0.1698 0.0114  -0.0028 -0.0176 262 ARG C O   
982  C CB  . ARG B 18  ? 0.1495 0.1911 0.1797 0.0142  -0.0007 -0.0210 262 ARG C CB  
983  C CG  . ARG B 18  ? 0.1506 0.1950 0.1822 0.0148  0.0000  -0.0226 262 ARG C CG  
984  C CD  . ARG B 18  ? 0.1604 0.2081 0.1860 0.0157  0.0012  -0.0203 262 ARG C CD  
985  N NE  . ARG B 18  ? 0.1639 0.2141 0.1906 0.0163  0.0022  -0.0214 262 ARG C NE  
986  C CZ  . ARG B 18  ? 0.1762 0.2302 0.1991 0.0171  0.0034  -0.0198 262 ARG C CZ  
987  N NH1 . ARG B 18  ? 0.1721 0.2272 0.1900 0.0174  0.0037  -0.0166 262 ARG C NH1 
988  N NH2 . ARG B 18  ? 0.1915 0.2479 0.2162 0.0176  0.0044  -0.0213 262 ARG C NH2 
989  N N   . THR B 19  ? 0.1359 0.1753 0.1726 0.0132  -0.0030 -0.0244 263 THR C N   
990  C CA  . THR B 19  ? 0.1456 0.1837 0.1813 0.0129  -0.0036 -0.0235 263 THR C CA  
991  C C   . THR B 19  ? 0.1487 0.1924 0.1806 0.0140  -0.0034 -0.0249 263 THR C C   
992  O O   . THR B 19  ? 0.1446 0.1934 0.1782 0.0147  -0.0037 -0.0291 263 THR C O   
993  C CB  . THR B 19  ? 0.1514 0.1880 0.1939 0.0122  -0.0047 -0.0257 263 THR C CB  
994  O OG1 . THR B 19  ? 0.1543 0.1860 0.2003 0.0110  -0.0050 -0.0234 263 THR C OG1 
995  C CG2 . THR B 19  ? 0.1573 0.1933 0.1987 0.0120  -0.0051 -0.0249 263 THR C CG2 
996  N N   . ALA B 20  ? 0.1395 0.1825 0.1667 0.0141  -0.0029 -0.0213 264 ALA C N   
997  C CA  . ALA B 20  ? 0.1400 0.1882 0.1639 0.0151  -0.0028 -0.0214 264 ALA C CA  
998  C C   . ALA B 20  ? 0.1485 0.1981 0.1751 0.0150  -0.0039 -0.0237 264 ALA C C   
999  O O   . ALA B 20  ? 0.1345 0.1796 0.1641 0.0141  -0.0044 -0.0232 264 ALA C O   
1000 C CB  . ALA B 20  ? 0.1320 0.1789 0.1513 0.0153  -0.0017 -0.0167 264 ALA C CB  
1001 N N   . THR B 21  ? 0.1638 0.2201 0.1893 0.0158  -0.0045 -0.0260 265 THR C N   
1002 C CA  . THR B 21  ? 0.1782 0.2373 0.2060 0.0157  -0.0057 -0.0285 265 THR C CA  
1003 C C   . THR B 21  ? 0.1947 0.2609 0.2184 0.0165  -0.0059 -0.0276 265 THR C C   
1004 O O   . THR B 21  ? 0.1789 0.2476 0.1986 0.0171  -0.0050 -0.0253 265 THR C O   
1005 C CB  . THR B 21  ? 0.1877 0.2488 0.2208 0.0154  -0.0067 -0.0344 265 THR C CB  
1006 O OG1 . THR B 21  ? 0.1971 0.2653 0.2282 0.0160  -0.0065 -0.0376 265 THR C OG1 
1007 C CG2 . THR B 21  ? 0.1973 0.2526 0.2353 0.0147  -0.0064 -0.0351 265 THR C CG2 
1008 N N   . LYS B 22  ? 0.2241 0.2939 0.2490 0.0165  -0.0072 -0.0292 266 LYS C N   
1009 C CA  . LYS B 22  ? 0.2859 0.3636 0.3073 0.0172  -0.0077 -0.0282 266 LYS C CA  
1010 C C   . LYS B 22  ? 0.2607 0.3453 0.2795 0.0175  -0.0075 -0.0310 266 LYS C C   
1011 O O   . LYS B 22  ? 0.2578 0.3480 0.2723 0.0181  -0.0073 -0.0284 266 LYS C O   
1012 C CB  . LYS B 22  ? 0.3624 0.4447 0.3859 0.0169  -0.0095 -0.0307 266 LYS C CB  
1013 C CG  . LYS B 22  ? 0.4683 0.5457 0.4946 0.0166  -0.0098 -0.0283 266 LYS C CG  
1014 C CD  . LYS B 22  ? 0.5501 0.6331 0.5780 0.0165  -0.0117 -0.0298 266 LYS C CD  
1015 C CE  . LYS B 22  ? 0.6116 0.6897 0.6425 0.0163  -0.0117 -0.0270 266 LYS C CE  
1016 N NZ  . LYS B 22  ? 0.6502 0.7344 0.6814 0.0165  -0.0132 -0.0261 266 LYS C NZ  
1017 N N   . ALA B 23  ? 0.2682 0.3525 0.2901 0.0171  -0.0076 -0.0364 267 ALA C N   
1018 C CA  . ALA B 23  ? 0.2797 0.3708 0.3000 0.0173  -0.0072 -0.0404 267 ALA C CA  
1019 C C   . ALA B 23  ? 0.2888 0.3780 0.3067 0.0178  -0.0055 -0.0378 267 ALA C C   
1020 O O   . ALA B 23  ? 0.3254 0.4205 0.3410 0.0181  -0.0048 -0.0398 267 ALA C O   
1021 C CB  . ALA B 23  ? 0.2962 0.3877 0.3223 0.0167  -0.0078 -0.0475 267 ALA C CB  
1022 N N   . TYR B 24  ? 0.2711 0.3522 0.2894 0.0178  -0.0047 -0.0334 268 TYR C N   
1023 C CA  . TYR B 24  ? 0.2242 0.3025 0.2409 0.0180  -0.0032 -0.0310 268 TYR C CA  
1024 C C   . TYR B 24  ? 0.1889 0.2600 0.2046 0.0179  -0.0027 -0.0252 268 TYR C C   
1025 O O   . TYR B 24  ? 0.1533 0.2175 0.1721 0.0172  -0.0027 -0.0251 268 TYR C O   
1026 C CB  . TYR B 24  ? 0.2329 0.3087 0.2543 0.0176  -0.0029 -0.0354 268 TYR C CB  
1027 C CG  . TYR B 24  ? 0.2285 0.3007 0.2496 0.0177  -0.0016 -0.0333 268 TYR C CG  
1028 C CD1 . TYR B 24  ? 0.2486 0.3259 0.2663 0.0184  -0.0004 -0.0329 268 TYR C CD1 
1029 C CD2 . TYR B 24  ? 0.2261 0.2905 0.2507 0.0171  -0.0016 -0.0317 268 TYR C CD2 
1030 C CE1 . TYR B 24  ? 0.2459 0.3200 0.2638 0.0185  0.0007  -0.0309 268 TYR C CE1 
1031 C CE2 . TYR B 24  ? 0.2353 0.2967 0.2599 0.0170  -0.0006 -0.0298 268 TYR C CE2 
1032 C CZ  . TYR B 24  ? 0.2564 0.3225 0.2779 0.0178  0.0005  -0.0295 268 TYR C CZ  
1033 O OH  . TYR B 24  ? 0.2646 0.3278 0.2867 0.0177  0.0015  -0.0276 268 TYR C OH  
1034 N N   . ASN B 25  ? 0.1776 0.2509 0.1895 0.0184  -0.0022 -0.0207 269 ASN C N   
1035 C CA  . ASN B 25  ? 0.1763 0.2447 0.1877 0.0183  -0.0018 -0.0160 269 ASN C CA  
1036 C C   . ASN B 25  ? 0.1670 0.2295 0.1775 0.0180  -0.0004 -0.0126 269 ASN C C   
1037 O O   . ASN B 25  ? 0.1586 0.2210 0.1691 0.0180  0.0000  -0.0138 269 ASN C O   
1038 C CB  . ASN B 25  ? 0.1879 0.2619 0.1971 0.0189  -0.0021 -0.0130 269 ASN C CB  
1039 C CG  . ASN B 25  ? 0.2007 0.2797 0.2067 0.0198  -0.0011 -0.0097 269 ASN C CG  
1040 O OD1 . ASN B 25  ? 0.2091 0.2854 0.2143 0.0198  0.0000  -0.0082 269 ASN C OD1 
1041 N ND2 . ASN B 25  ? 0.2214 0.3080 0.2257 0.0203  -0.0017 -0.0080 269 ASN C ND2 
1042 N N   . VAL B 26  ? 0.1624 0.2200 0.1727 0.0177  0.0002  -0.0089 270 VAL C N   
1043 C CA  . VAL B 26  ? 0.1655 0.2170 0.1754 0.0170  0.0013  -0.0064 270 VAL C CA  
1044 C C   . VAL B 26  ? 0.1785 0.2329 0.1862 0.0178  0.0024  -0.0042 270 VAL C C   
1045 O O   . VAL B 26  ? 0.1659 0.2175 0.1737 0.0174  0.0029  -0.0042 270 VAL C O   
1046 C CB  . VAL B 26  ? 0.1563 0.2026 0.1666 0.0164  0.0020  -0.0035 270 VAL C CB  
1047 C CG1 . VAL B 26  ? 0.1548 0.1958 0.1642 0.0156  0.0034  -0.0009 270 VAL C CG1 
1048 C CG2 . VAL B 26  ? 0.1554 0.1984 0.1681 0.0155  0.0011  -0.0058 270 VAL C CG2 
1049 N N   . THR B 27  ? 0.1900 0.2506 0.1962 0.0188  0.0026  -0.0021 271 THR C N   
1050 C CA  . THR B 27  ? 0.1986 0.2630 0.2031 0.0196  0.0036  0.0003  271 THR C CA  
1051 C C   . THR B 27  ? 0.2081 0.2756 0.2121 0.0197  0.0035  -0.0032 271 THR C C   
1052 O O   . THR B 27  ? 0.2176 0.2835 0.2214 0.0197  0.0044  -0.0021 271 THR C O   
1053 C CB  . THR B 27  ? 0.2124 0.2839 0.2158 0.0205  0.0036  0.0034  271 THR C CB  
1054 O OG1 . THR B 27  ? 0.2234 0.2911 0.2283 0.0204  0.0042  0.0072  271 THR C OG1 
1055 C CG2 . THR B 27  ? 0.2279 0.3047 0.2296 0.0213  0.0046  0.0060  271 THR C CG2 
1056 N N   . GLN B 28  ? 0.2268 0.2989 0.2311 0.0198  0.0023  -0.0076 272 GLN C N   
1057 C CA  . GLN B 28  ? 0.2298 0.3053 0.2344 0.0199  0.0024  -0.0118 272 GLN C CA  
1058 C C   . GLN B 28  ? 0.2109 0.2795 0.2184 0.0192  0.0026  -0.0134 272 GLN C C   
1059 O O   . GLN B 28  ? 0.1945 0.2639 0.2024 0.0193  0.0034  -0.0144 272 GLN C O   
1060 C CB  . GLN B 28  ? 0.2699 0.3504 0.2755 0.0198  0.0011  -0.0171 272 GLN C CB  
1061 C CG  . GLN B 28  ? 0.3191 0.4079 0.3219 0.0204  0.0005  -0.0159 272 GLN C CG  
1062 C CD  . GLN B 28  ? 0.3473 0.4413 0.3511 0.0201  -0.0008 -0.0215 272 GLN C CD  
1063 O OE1 . GLN B 28  ? 0.3130 0.4059 0.3182 0.0197  -0.0021 -0.0221 272 GLN C OE1 
1064 N NE2 . GLN B 28  ? 0.3961 0.4960 0.3994 0.0201  -0.0005 -0.0259 272 GLN C NE2 
1065 N N   . ALA B 29  ? 0.1832 0.2452 0.1930 0.0183  0.0019  -0.0136 273 ALA C N   
1066 C CA  . ALA B 29  ? 0.1727 0.2288 0.1857 0.0174  0.0017  -0.0148 273 ALA C CA  
1067 C C   . ALA B 29  ? 0.1633 0.2148 0.1752 0.0170  0.0027  -0.0107 273 ALA C C   
1068 O O   . ALA B 29  ? 0.1556 0.2047 0.1693 0.0165  0.0028  -0.0113 273 ALA C O   
1069 C CB  . ALA B 29  ? 0.1846 0.2361 0.2003 0.0165  0.0006  -0.0159 273 ALA C CB  
1070 N N   . PHE B 30  ? 0.1461 0.1958 0.1555 0.0169  0.0032  -0.0068 274 PHE C N   
1071 C CA  . PHE B 30  ? 0.1422 0.1862 0.1513 0.0160  0.0039  -0.0036 274 PHE C CA  
1072 C C   . PHE B 30  ? 0.1424 0.1880 0.1494 0.0166  0.0053  0.0003  274 PHE C C   
1073 O O   . PHE B 30  ? 0.1437 0.1847 0.1505 0.0158  0.0060  0.0027  274 PHE C O   
1074 C CB  . PHE B 30  ? 0.1309 0.1691 0.1406 0.0147  0.0035  -0.0029 274 PHE C CB  
1075 C CG  . PHE B 30  ? 0.1200 0.1564 0.1325 0.0140  0.0022  -0.0060 274 PHE C CG  
1076 C CD1 . PHE B 30  ? 0.1139 0.1483 0.1291 0.0133  0.0016  -0.0073 274 PHE C CD1 
1077 C CD2 . PHE B 30  ? 0.1096 0.1462 0.1230 0.0139  0.0015  -0.0072 274 PHE C CD2 
1078 C CE1 . PHE B 30  ? 0.1061 0.1391 0.1250 0.0126  0.0004  -0.0097 274 PHE C CE1 
1079 C CE2 . PHE B 30  ? 0.1057 0.1405 0.1224 0.0132  0.0004  -0.0097 274 PHE C CE2 
1080 C CZ  . PHE B 30  ? 0.1069 0.1400 0.1266 0.0126  -0.0001 -0.0109 274 PHE C CZ  
1081 N N   . GLY B 31  ? 0.1599 0.2120 0.1656 0.0179  0.0056  0.0009  275 GLY C N   
1082 C CA  . GLY B 31  ? 0.1669 0.2211 0.1715 0.0186  0.0069  0.0052  275 GLY C CA  
1083 C C   . GLY B 31  ? 0.1794 0.2323 0.1842 0.0186  0.0072  0.0080  275 GLY C C   
1084 O O   . GLY B 31  ? 0.1698 0.2185 0.1754 0.0178  0.0067  0.0068  275 GLY C O   
1085 N N   . ARG B 32  ? 0.1935 0.2504 0.1983 0.0196  0.0082  0.0119  276 ARG C N   
1086 C CA  . ARG B 32  ? 0.2168 0.2722 0.2232 0.0196  0.0089  0.0151  276 ARG C CA  
1087 C C   . ARG B 32  ? 0.1810 0.2279 0.1887 0.0183  0.0097  0.0154  276 ARG C C   
1088 O O   . ARG B 32  ? 0.1634 0.2069 0.1709 0.0176  0.0103  0.0153  276 ARG C O   
1089 C CB  . ARG B 32  ? 0.2754 0.3357 0.2828 0.0208  0.0099  0.0200  276 ARG C CB  
1090 C CG  . ARG B 32  ? 0.3572 0.4268 0.3631 0.0219  0.0090  0.0204  276 ARG C CG  
1091 C CD  . ARG B 32  ? 0.4672 0.5432 0.4726 0.0229  0.0098  0.0239  276 ARG C CD  
1092 N NE  . ARG B 32  ? 0.5782 0.6563 0.5866 0.0235  0.0108  0.0299  276 ARG C NE  
1093 C CZ  . ARG B 32  ? 0.6908 0.7778 0.6992 0.0245  0.0106  0.0336  276 ARG C CZ  
1094 N NH1 . ARG B 32  ? 0.7584 0.8533 0.7630 0.0248  0.0095  0.0316  276 ARG C NH1 
1095 N NH2 . ARG B 32  ? 0.6847 0.7729 0.6971 0.0251  0.0115  0.0394  276 ARG C NH2 
1096 N N   . ARG B 33  ? 0.1606 0.2046 0.1696 0.0178  0.0099  0.0155  277 ARG C N   
1097 C CA  . ARG B 33  ? 0.1601 0.1973 0.1705 0.0165  0.0112  0.0161  277 ARG C CA  
1098 C C   . ARG B 33  ? 0.1653 0.2021 0.1779 0.0168  0.0129  0.0198  277 ARG C C   
1099 O O   . ARG B 33  ? 0.1545 0.1965 0.1685 0.0182  0.0133  0.0230  277 ARG C O   
1100 C CB  . ARG B 33  ? 0.1540 0.1899 0.1660 0.0163  0.0113  0.0159  277 ARG C CB  
1101 C CG  . ARG B 33  ? 0.1446 0.1774 0.1553 0.0152  0.0102  0.0122  277 ARG C CG  
1102 C CD  . ARG B 33  ? 0.1336 0.1707 0.1431 0.0159  0.0082  0.0097  277 ARG C CD  
1103 N NE  . ARG B 33  ? 0.1391 0.1771 0.1471 0.0158  0.0073  0.0078  277 ARG C NE  
1104 C CZ  . ARG B 33  ? 0.1300 0.1636 0.1376 0.0146  0.0070  0.0060  277 ARG C CZ  
1105 N NH1 . ARG B 33  ? 0.1200 0.1485 0.1279 0.0131  0.0072  0.0055  277 ARG C NH1 
1106 N NH2 . ARG B 33  ? 0.1355 0.1704 0.1425 0.0147  0.0065  0.0050  277 ARG C NH2 
1107 N N   . GLY B 34  ? 0.1572 0.1880 0.1703 0.0153  0.0140  0.0194  278 GLY C N   
1108 C CA  . GLY B 34  ? 0.1666 0.1964 0.1826 0.0153  0.0158  0.0225  278 GLY C CA  
1109 C C   . GLY B 34  ? 0.1826 0.2058 0.1990 0.0132  0.0168  0.0211  278 GLY C C   
1110 O O   . GLY B 34  ? 0.1761 0.1958 0.1901 0.0118  0.0161  0.0181  278 GLY C O   
1111 N N   . PRO B 35  ? 0.2083 0.2300 0.2281 0.0130  0.0186  0.0233  279 PRO C N   
1112 C CA  . PRO B 35  ? 0.2284 0.2441 0.2490 0.0108  0.0198  0.0218  279 PRO C CA  
1113 C C   . PRO B 35  ? 0.2627 0.2762 0.2811 0.0094  0.0191  0.0204  279 PRO C C   
1114 O O   . PRO B 35  ? 0.2721 0.2811 0.2904 0.0072  0.0198  0.0187  279 PRO C O   
1115 C CB  . PRO B 35  ? 0.2287 0.2445 0.2553 0.0115  0.0222  0.0249  279 PRO C CB  
1116 C CG  . PRO B 35  ? 0.2274 0.2494 0.2553 0.0137  0.0217  0.0288  279 PRO C CG  
1117 C CD  . PRO B 35  ? 0.2252 0.2513 0.2486 0.0147  0.0195  0.0275  279 PRO C CD  
1118 N N   . GLU B 36  ? 0.2353 0.2523 0.2524 0.0105  0.0178  0.0214  280 GLU C N   
1119 C CA  . GLU B 36  ? 0.2538 0.2694 0.2703 0.0095  0.0174  0.0211  280 GLU C CA  
1120 C C   . GLU B 36  ? 0.3121 0.3247 0.3250 0.0076  0.0158  0.0179  280 GLU C C   
1121 O O   . GLU B 36  ? 0.3065 0.3190 0.3174 0.0075  0.0149  0.0162  280 GLU C O   
1122 C CB  . GLU B 36  ? 0.2253 0.2458 0.2421 0.0114  0.0170  0.0233  280 GLU C CB  
1123 C CG  . GLU B 36  ? 0.2189 0.2427 0.2397 0.0130  0.0187  0.0273  280 GLU C CG  
1124 C CD  . GLU B 36  ? 0.2304 0.2504 0.2556 0.0118  0.0205  0.0286  280 GLU C CD  
1125 O OE1 . GLU B 36  ? 0.2204 0.2364 0.2451 0.0099  0.0203  0.0268  280 GLU C OE1 
1126 O OE2 . GLU B 36  ? 0.2399 0.2610 0.2694 0.0127  0.0221  0.0313  280 GLU C OE2 
1127 N N   . GLN B 37  ? 0.3544 0.3647 0.3669 0.0060  0.0153  0.0175  281 GLN C N   
1128 C CA  . GLN B 37  ? 0.4099 0.4167 0.4199 0.0035  0.0141  0.0151  281 GLN C CA  
1129 C C   . GLN B 37  ? 0.3800 0.3883 0.3877 0.0039  0.0121  0.0138  281 GLN C C   
1130 O O   . GLN B 37  ? 0.4588 0.4650 0.4646 0.0023  0.0113  0.0121  281 GLN C O   
1131 C CB  . GLN B 37  ? 0.4807 0.4856 0.4912 0.0017  0.0139  0.0154  281 GLN C CB  
1132 C CG  . GLN B 37  ? 0.5684 0.5694 0.5771 -0.0014 0.0137  0.0134  281 GLN C CG  
1133 C CD  . GLN B 37  ? 0.6125 0.6113 0.6225 -0.0022 0.0160  0.0125  281 GLN C CD  
1134 O OE1 . GLN B 37  ? 0.6694 0.6670 0.6778 -0.0029 0.0164  0.0109  281 GLN C OE1 
1135 N NE2 . GLN B 37  ? 0.6455 0.6436 0.6590 -0.0021 0.0176  0.0135  281 GLN C NE2 
1136 N N   . THR B 38  ? 0.3282 0.3402 0.3363 0.0058  0.0113  0.0144  282 THR C N   
1137 C CA  . THR B 38  ? 0.3119 0.3253 0.3190 0.0062  0.0095  0.0127  282 THR C CA  
1138 C C   . THR B 38  ? 0.3104 0.3279 0.3176 0.0084  0.0096  0.0122  282 THR C C   
1139 O O   . THR B 38  ? 0.3085 0.3280 0.3157 0.0090  0.0083  0.0106  282 THR C O   
1140 C CB  . THR B 38  ? 0.3718 0.3861 0.3799 0.0061  0.0085  0.0130  282 THR C CB  
1141 O OG1 . THR B 38  ? 0.3659 0.3826 0.3753 0.0076  0.0099  0.0150  282 THR C OG1 
1142 C CG2 . THR B 38  ? 0.3711 0.3816 0.3789 0.0034  0.0077  0.0131  282 THR C CG2 
1143 N N   . GLN B 39  ? 0.2800 0.2988 0.2877 0.0095  0.0110  0.0136  283 GLN C N   
1144 C CA  . GLN B 39  ? 0.2517 0.2741 0.2593 0.0111  0.0109  0.0133  283 GLN C CA  
1145 C C   . GLN B 39  ? 0.1929 0.2125 0.1999 0.0101  0.0106  0.0117  283 GLN C C   
1146 O O   . GLN B 39  ? 0.2319 0.2474 0.2388 0.0086  0.0115  0.0118  283 GLN C O   
1147 C CB  . GLN B 39  ? 0.2672 0.2918 0.2765 0.0124  0.0126  0.0162  283 GLN C CB  
1148 C CG  . GLN B 39  ? 0.2981 0.3289 0.3078 0.0144  0.0128  0.0181  283 GLN C CG  
1149 C CD  . GLN B 39  ? 0.3103 0.3432 0.3226 0.0154  0.0143  0.0217  283 GLN C CD  
1150 O OE1 . GLN B 39  ? 0.2703 0.2998 0.2850 0.0147  0.0157  0.0234  283 GLN C OE1 
1151 N NE2 . GLN B 39  ? 0.3585 0.3972 0.3708 0.0170  0.0141  0.0230  283 GLN C NE2 
1152 N N   . GLY B 40  ? 0.1624 0.1844 0.1690 0.0110  0.0096  0.0101  284 GLY C N   
1153 C CA  . GLY B 40  ? 0.1473 0.1673 0.1537 0.0103  0.0094  0.0088  284 GLY C CA  
1154 C C   . GLY B 40  ? 0.1339 0.1542 0.1416 0.0109  0.0110  0.0106  284 GLY C C   
1155 O O   . GLY B 40  ? 0.1241 0.1482 0.1328 0.0125  0.0116  0.0126  284 GLY C O   
1156 N N   . ASN B 41  ? 0.1294 0.1456 0.1372 0.0094  0.0119  0.0100  285 ASN C N   
1157 C CA  . ASN B 41  ? 0.1131 0.1290 0.1231 0.0098  0.0136  0.0114  285 ASN C CA  
1158 C C   . ASN B 41  ? 0.1127 0.1286 0.1231 0.0099  0.0133  0.0102  285 ASN C C   
1159 O O   . ASN B 41  ? 0.1064 0.1218 0.1190 0.0102  0.0148  0.0112  285 ASN C O   
1160 C CB  . ASN B 41  ? 0.1161 0.1273 0.1268 0.0081  0.0156  0.0116  285 ASN C CB  
1161 C CG  . ASN B 41  ? 0.1152 0.1225 0.1238 0.0058  0.0154  0.0092  285 ASN C CG  
1162 O OD1 . ASN B 41  ? 0.1281 0.1356 0.1346 0.0053  0.0136  0.0079  285 ASN C OD1 
1163 N ND2 . ASN B 41  ? 0.1167 0.1207 0.1261 0.0043  0.0174  0.0086  285 ASN C ND2 
1164 N N   . PHE B 42  ? 0.1085 0.1252 0.1175 0.0098  0.0114  0.0082  286 PHE C N   
1165 C CA  . PHE B 42  ? 0.1042 0.1203 0.1139 0.0095  0.0111  0.0069  286 PHE C CA  
1166 C C   . PHE B 42  ? 0.1052 0.1265 0.1160 0.0114  0.0098  0.0067  286 PHE C C   
1167 O O   . PHE B 42  ? 0.0981 0.1226 0.1082 0.0122  0.0082  0.0055  286 PHE C O   
1168 C CB  . PHE B 42  ? 0.1049 0.1183 0.1132 0.0078  0.0099  0.0049  286 PHE C CB  
1169 C CG  . PHE B 42  ? 0.1030 0.1149 0.1122 0.0071  0.0099  0.0038  286 PHE C CG  
1170 C CD1 . PHE B 42  ? 0.1073 0.1154 0.1160 0.0053  0.0116  0.0038  286 PHE C CD1 
1171 C CD2 . PHE B 42  ? 0.1050 0.1193 0.1156 0.0080  0.0083  0.0025  286 PHE C CD2 
1172 C CE1 . PHE B 42  ? 0.1043 0.1113 0.1138 0.0045  0.0118  0.0030  286 PHE C CE1 
1173 C CE2 . PHE B 42  ? 0.1024 0.1154 0.1142 0.0072  0.0084  0.0017  286 PHE C CE2 
1174 C CZ  . PHE B 42  ? 0.1056 0.1149 0.1168 0.0055  0.0101  0.0021  286 PHE C CZ  
1175 N N   . GLY B 43  ? 0.1116 0.1335 0.1244 0.0120  0.0106  0.0076  287 GLY C N   
1176 C CA  . GLY B 43  ? 0.1159 0.1422 0.1300 0.0132  0.0092  0.0070  287 GLY C CA  
1177 C C   . GLY B 43  ? 0.1187 0.1488 0.1351 0.0147  0.0099  0.0099  287 GLY C C   
1178 O O   . GLY B 43  ? 0.1206 0.1528 0.1370 0.0154  0.0105  0.0123  287 GLY C O   
1179 N N   . ASP B 44  ? 0.1273 0.1581 0.1460 0.0150  0.0099  0.0101  288 ASP C N   
1180 C CA  . ASP B 44  ? 0.1398 0.1753 0.1614 0.0164  0.0100  0.0130  288 ASP C CA  
1181 C C   . ASP B 44  ? 0.1401 0.1828 0.1603 0.0176  0.0076  0.0126  288 ASP C C   
1182 O O   . ASP B 44  ? 0.1404 0.1841 0.1579 0.0173  0.0062  0.0097  288 ASP C O   
1183 C CB  . ASP B 44  ? 0.1419 0.1754 0.1670 0.0161  0.0109  0.0134  288 ASP C CB  
1184 C CG  . ASP B 44  ? 0.1452 0.1800 0.1706 0.0160  0.0092  0.0110  288 ASP C CG  
1185 O OD1 . ASP B 44  ? 0.1362 0.1736 0.1593 0.0161  0.0071  0.0086  288 ASP C OD1 
1186 O OD2 . ASP B 44  ? 0.1646 0.1978 0.1930 0.0158  0.0100  0.0113  288 ASP C OD2 
1187 N N   A GLN B 45  ? 0.1406 0.1888 0.1630 0.0187  0.0072  0.0154  289 GLN C N   
1188 N N   B GLN B 45  ? 0.1482 0.1966 0.1706 0.0188  0.0072  0.0153  289 GLN C N   
1189 C CA  A GLN B 45  ? 0.1376 0.1939 0.1585 0.0197  0.0051  0.0153  289 GLN C CA  
1190 C CA  B GLN B 45  ? 0.1502 0.2066 0.1708 0.0197  0.0051  0.0152  289 GLN C CA  
1191 C C   A GLN B 45  ? 0.1405 0.1977 0.1602 0.0193  0.0031  0.0107  289 GLN C C   
1192 C C   B GLN B 45  ? 0.1477 0.2057 0.1676 0.0193  0.0030  0.0109  289 GLN C C   
1193 O O   A GLN B 45  ? 0.1458 0.2066 0.1629 0.0194  0.0017  0.0081  289 GLN C O   
1194 O O   B GLN B 45  ? 0.1540 0.2171 0.1716 0.0196  0.0013  0.0086  289 GLN C O   
1195 C CB  A GLN B 45  ? 0.1361 0.1983 0.1602 0.0208  0.0050  0.0197  289 GLN C CB  
1196 C CB  B GLN B 45  ? 0.1595 0.2225 0.1827 0.0209  0.0049  0.0199  289 GLN C CB  
1197 C CG  A GLN B 45  ? 0.1286 0.1890 0.1559 0.0212  0.0072  0.0245  289 GLN C CG  
1198 C CG  B GLN B 45  ? 0.1613 0.2247 0.1855 0.0215  0.0066  0.0242  289 GLN C CG  
1199 C CD  A GLN B 45  ? 0.1237 0.1792 0.1560 0.0209  0.0091  0.0260  289 GLN C CD  
1200 C CD  B GLN B 45  ? 0.1671 0.2381 0.1942 0.0226  0.0063  0.0295  289 GLN C CD  
1201 O OE1 A GLN B 45  ? 0.1038 0.1525 0.1362 0.0198  0.0102  0.0232  289 GLN C OE1 
1202 O OE1 B GLN B 45  ? 0.1634 0.2343 0.1954 0.0229  0.0068  0.0325  289 GLN C OE1 
1203 N NE2 A GLN B 45  ? 0.1209 0.1806 0.1580 0.0219  0.0094  0.0308  289 GLN C NE2 
1204 N NE2 B GLN B 45  ? 0.1735 0.2514 0.1980 0.0233  0.0054  0.0310  289 GLN C NE2 
1205 N N   . GLU B 46  ? 0.1455 0.1992 0.1676 0.0187  0.0032  0.0097  290 GLU C N   
1206 C CA  . GLU B 46  ? 0.1557 0.2104 0.1780 0.0183  0.0013  0.0058  290 GLU C CA  
1207 C C   . GLU B 46  ? 0.1527 0.2041 0.1729 0.0174  0.0009  0.0019  290 GLU C C   
1208 O O   . GLU B 46  ? 0.1603 0.2155 0.1798 0.0176  -0.0007 -0.0012 290 GLU C O   
1209 C CB  . GLU B 46  ? 0.1724 0.2235 0.1982 0.0178  0.0019  0.0061  290 GLU C CB  
1210 C CG  . GLU B 46  ? 0.2008 0.2541 0.2281 0.0176  -0.0001 0.0027  290 GLU C CG  
1211 C CD  . GLU B 46  ? 0.2132 0.2627 0.2442 0.0170  0.0005  0.0031  290 GLU C CD  
1212 O OE1 . GLU B 46  ? 0.2192 0.2643 0.2516 0.0168  0.0028  0.0056  290 GLU C OE1 
1213 O OE2 . GLU B 46  ? 0.2576 0.3087 0.2904 0.0168  -0.0011 0.0005  290 GLU C OE2 
1214 N N   . LEU B 47  ? 0.1512 0.1959 0.1708 0.0165  0.0025  0.0023  291 LEU C N   
1215 C CA  . LEU B 47  ? 0.1390 0.1804 0.1571 0.0156  0.0021  -0.0004 291 LEU C CA  
1216 C C   . LEU B 47  ? 0.1401 0.1857 0.1560 0.0163  0.0015  -0.0011 291 LEU C C   
1217 O O   . LEU B 47  ? 0.1512 0.1976 0.1671 0.0161  0.0003  -0.0044 291 LEU C O   
1218 C CB  . LEU B 47  ? 0.1343 0.1688 0.1518 0.0144  0.0039  0.0006  291 LEU C CB  
1219 C CG  . LEU B 47  ? 0.1420 0.1733 0.1582 0.0133  0.0035  -0.0011 291 LEU C CG  
1220 C CD1 . LEU B 47  ? 0.1475 0.1794 0.1657 0.0130  0.0017  -0.0044 291 LEU C CD1 
1221 C CD2 . LEU B 47  ? 0.1444 0.1694 0.1600 0.0117  0.0051  0.0000  291 LEU C CD2 
1222 N N   . ILE B 48  ? 0.1386 0.1867 0.1532 0.0171  0.0024  0.0019  292 ILE C N   
1223 C CA  . ILE B 48  ? 0.1543 0.2063 0.1666 0.0177  0.0021  0.0016  292 ILE C CA  
1224 C C   . ILE B 48  ? 0.1752 0.2342 0.1872 0.0183  0.0003  -0.0015 292 ILE C C   
1225 O O   . ILE B 48  ? 0.1836 0.2441 0.1947 0.0183  -0.0001 -0.0044 292 ILE C O   
1226 C CB  . ILE B 48  ? 0.1549 0.2091 0.1665 0.0185  0.0035  0.0060  292 ILE C CB  
1227 C CG1 . ILE B 48  ? 0.1522 0.1995 0.1640 0.0177  0.0054  0.0079  292 ILE C CG1 
1228 C CG2 . ILE B 48  ? 0.1583 0.2189 0.1676 0.0194  0.0030  0.0059  292 ILE C CG2 
1229 C CD1 . ILE B 48  ? 0.1480 0.1963 0.1611 0.0184  0.0070  0.0125  292 ILE C CD1 
1230 N N   . ARG B 49  ? 0.1906 0.2538 0.2038 0.0187  -0.0006 -0.0010 293 ARG C N   
1231 C CA  . ARG B 49  ? 0.2115 0.2823 0.2243 0.0191  -0.0024 -0.0040 293 ARG C CA  
1232 C C   . ARG B 49  ? 0.2129 0.2817 0.2276 0.0183  -0.0036 -0.0093 293 ARG C C   
1233 O O   . ARG B 49  ? 0.2146 0.2883 0.2289 0.0184  -0.0047 -0.0132 293 ARG C O   
1234 C CB  . ARG B 49  ? 0.2436 0.3198 0.2575 0.0196  -0.0033 -0.0016 293 ARG C CB  
1235 C CG  . ARG B 49  ? 0.2931 0.3773 0.3067 0.0196  -0.0055 -0.0052 293 ARG C CG  
1236 C CD  . ARG B 49  ? 0.3115 0.4024 0.3261 0.0200  -0.0068 -0.0027 293 ARG C CD  
1237 N NE  . ARG B 49  ? 0.3402 0.4266 0.3586 0.0198  -0.0068 -0.0010 293 ARG C NE  
1238 C CZ  . ARG B 49  ? 0.3039 0.3858 0.3243 0.0201  -0.0051 0.0036  293 ARG C CZ  
1239 N NH1 . ARG B 49  ? 0.2761 0.3569 0.2954 0.0206  -0.0034 0.0075  293 ARG C NH1 
1240 N NH2 . ARG B 49  ? 0.2942 0.3727 0.3182 0.0198  -0.0050 0.0043  293 ARG C NH2 
1241 N N   A GLN B 50  ? 0.1982 0.2599 0.2153 0.0175  -0.0033 -0.0096 294 GLN C N   
1242 N N   B GLN B 50  ? 0.2053 0.2670 0.2225 0.0176  -0.0032 -0.0095 294 GLN C N   
1243 C CA  A GLN B 50  ? 0.2016 0.2622 0.2219 0.0169  -0.0045 -0.0139 294 GLN C CA  
1244 C CA  B GLN B 50  ? 0.2146 0.2748 0.2350 0.0169  -0.0045 -0.0136 294 GLN C CA  
1245 C C   A GLN B 50  ? 0.1929 0.2477 0.2145 0.0161  -0.0041 -0.0157 294 GLN C C   
1246 C C   B GLN B 50  ? 0.1997 0.2544 0.2213 0.0161  -0.0041 -0.0156 294 GLN C C   
1247 O O   A GLN B 50  ? 0.1782 0.2330 0.2030 0.0157  -0.0052 -0.0197 294 GLN C O   
1248 O O   B GLN B 50  ? 0.1840 0.2391 0.2087 0.0157  -0.0052 -0.0196 294 GLN C O   
1249 C CB  A GLN B 50  ? 0.2060 0.2645 0.2290 0.0166  -0.0048 -0.0127 294 GLN C CB  
1250 C CB  B GLN B 50  ? 0.2303 0.2875 0.2533 0.0165  -0.0045 -0.0122 294 GLN C CB  
1251 C CG  A GLN B 50  ? 0.2065 0.2712 0.2291 0.0174  -0.0054 -0.0106 294 GLN C CG  
1252 C CG  B GLN B 50  ? 0.2452 0.3077 0.2682 0.0173  -0.0049 -0.0096 294 GLN C CG  
1253 C CD  A GLN B 50  ? 0.2119 0.2736 0.2374 0.0172  -0.0051 -0.0085 294 GLN C CD  
1254 C CD  B GLN B 50  ? 0.2642 0.3339 0.2882 0.0175  -0.0071 -0.0128 294 GLN C CD  
1255 O OE1 A GLN B 50  ? 0.2103 0.2657 0.2378 0.0164  -0.0044 -0.0090 294 GLN C OE1 
1256 O OE1 B GLN B 50  ? 0.3139 0.3884 0.3367 0.0175  -0.0080 -0.0163 294 GLN C OE1 
1257 N NE2 A GLN B 50  ? 0.2242 0.2909 0.2503 0.0178  -0.0057 -0.0061 294 GLN C NE2 
1258 N NE2 B GLN B 50  ? 0.2644 0.3356 0.2911 0.0175  -0.0080 -0.0120 294 GLN C NE2 
1259 N N   . GLY B 51  ? 0.1888 0.2388 0.2086 0.0157  -0.0027 -0.0129 295 GLY C N   
1260 C CA  . GLY B 51  ? 0.1744 0.2192 0.1955 0.0148  -0.0025 -0.0140 295 GLY C CA  
1261 C C   . GLY B 51  ? 0.1703 0.2112 0.1952 0.0138  -0.0031 -0.0151 295 GLY C C   
1262 O O   . GLY B 51  ? 0.1633 0.2025 0.1885 0.0136  -0.0027 -0.0134 295 GLY C O   
1263 N N   . THR B 52  ? 0.1686 0.2082 0.1970 0.0132  -0.0039 -0.0179 296 THR C N   
1264 C CA  . THR B 52  ? 0.1799 0.2158 0.2126 0.0122  -0.0045 -0.0184 296 THR C CA  
1265 C C   . THR B 52  ? 0.1848 0.2238 0.2202 0.0126  -0.0055 -0.0205 296 THR C C   
1266 O O   . THR B 52  ? 0.1986 0.2349 0.2377 0.0119  -0.0059 -0.0206 296 THR C O   
1267 C CB  . THR B 52  ? 0.1791 0.2133 0.2160 0.0116  -0.0052 -0.0205 296 THR C CB  
1268 O OG1 . THR B 52  ? 0.1775 0.2167 0.2162 0.0125  -0.0059 -0.0246 296 THR C OG1 
1269 C CG2 . THR B 52  ? 0.1781 0.2091 0.2129 0.0110  -0.0044 -0.0181 296 THR C CG2 
1270 N N   . ASP B 53  ? 0.1921 0.2370 0.2258 0.0137  -0.0060 -0.0218 297 ASP C N   
1271 C CA  . ASP B 53  ? 0.2035 0.2517 0.2395 0.0139  -0.0071 -0.0232 297 ASP C CA  
1272 C C   . ASP B 53  ? 0.2079 0.2541 0.2424 0.0139  -0.0062 -0.0192 297 ASP C C   
1273 O O   . ASP B 53  ? 0.2079 0.2555 0.2449 0.0139  -0.0070 -0.0197 297 ASP C O   
1274 C CB  . ASP B 53  ? 0.2309 0.2869 0.2657 0.0148  -0.0082 -0.0261 297 ASP C CB  
1275 C CG  . ASP B 53  ? 0.2278 0.2863 0.2652 0.0147  -0.0089 -0.0312 297 ASP C CG  
1276 O OD1 . ASP B 53  ? 0.2546 0.3103 0.2975 0.0140  -0.0095 -0.0337 297 ASP C OD1 
1277 O OD2 . ASP B 53  ? 0.2597 0.3229 0.2940 0.0152  -0.0088 -0.0325 297 ASP C OD2 
1278 N N   . TYR B 54  ? 0.1860 0.2289 0.2169 0.0138  -0.0045 -0.0155 298 TYR C N   
1279 C CA  . TYR B 54  ? 0.1694 0.2105 0.1994 0.0138  -0.0033 -0.0119 298 TYR C CA  
1280 C C   . TYR B 54  ? 0.1763 0.2137 0.2099 0.0129  -0.0032 -0.0120 298 TYR C C   
1281 O O   . TYR B 54  ? 0.1742 0.2079 0.2095 0.0119  -0.0033 -0.0130 298 TYR C O   
1282 C CB  . TYR B 54  ? 0.1654 0.2027 0.1919 0.0135  -0.0014 -0.0089 298 TYR C CB  
1283 C CG  . TYR B 54  ? 0.1682 0.2023 0.1942 0.0132  0.0005  -0.0056 298 TYR C CG  
1284 C CD1 . TYR B 54  ? 0.1674 0.1957 0.1927 0.0119  0.0020  -0.0044 298 TYR C CD1 
1285 C CD2 . TYR B 54  ? 0.1863 0.2236 0.2126 0.0143  0.0009  -0.0034 298 TYR C CD2 
1286 C CE1 . TYR B 54  ? 0.1674 0.1928 0.1924 0.0115  0.0041  -0.0020 298 TYR C CE1 
1287 C CE2 . TYR B 54  ? 0.1948 0.2292 0.2217 0.0140  0.0029  -0.0006 298 TYR C CE2 
1288 C CZ  . TYR B 54  ? 0.1812 0.2095 0.2075 0.0126  0.0047  -0.0002 298 TYR C CZ  
1289 O OH  . TYR B 54  ? 0.1858 0.2111 0.2127 0.0123  0.0071  0.0019  298 TYR C OH  
1290 N N   . LYS B 55  ? 0.1918 0.2300 0.2266 0.0132  -0.0029 -0.0105 299 LYS C N   
1291 C CA  . LYS B 55  ? 0.2084 0.2443 0.2472 0.0125  -0.0029 -0.0107 299 LYS C CA  
1292 C C   . LYS B 55  ? 0.1739 0.2035 0.2123 0.0112  -0.0010 -0.0090 299 LYS C C   
1293 O O   . LYS B 55  ? 0.1646 0.1919 0.2063 0.0103  -0.0012 -0.0095 299 LYS C O   
1294 C CB  . LYS B 55  ? 0.2526 0.2912 0.2928 0.0133  -0.0027 -0.0089 299 LYS C CB  
1295 C CG  . LYS B 55  ? 0.3105 0.3558 0.3527 0.0141  -0.0051 -0.0113 299 LYS C CG  
1296 C CD  . LYS B 55  ? 0.3509 0.3962 0.3966 0.0135  -0.0068 -0.0154 299 LYS C CD  
1297 C CE  . LYS B 55  ? 0.3865 0.4376 0.4355 0.0139  -0.0090 -0.0179 299 LYS C CE  
1298 N NZ  . LYS B 55  ? 0.3989 0.4568 0.4448 0.0148  -0.0099 -0.0177 299 LYS C NZ  
1299 N N   . HIS B 56  ? 0.1543 0.1813 0.1888 0.0109  0.0006  -0.0068 300 HIS C N   
1300 C CA  . HIS B 56  ? 0.1609 0.1826 0.1942 0.0094  0.0024  -0.0053 300 HIS C CA  
1301 C C   . HIS B 56  ? 0.1535 0.1732 0.1844 0.0085  0.0021  -0.0056 300 HIS C C   
1302 O O   . HIS B 56  ? 0.1479 0.1639 0.1767 0.0071  0.0035  -0.0042 300 HIS C O   
1303 C CB  . HIS B 56  ? 0.1701 0.1901 0.2017 0.0094  0.0049  -0.0028 300 HIS C CB  
1304 C CG  . HIS B 56  ? 0.1916 0.2128 0.2269 0.0098  0.0053  -0.0024 300 HIS C CG  
1305 N ND1 . HIS B 56  ? 0.2433 0.2687 0.2802 0.0113  0.0047  -0.0017 300 HIS C ND1 
1306 C CD2 . HIS B 56  ? 0.1955 0.2146 0.2334 0.0089  0.0059  -0.0024 300 HIS C CD2 
1307 C CE1 . HIS B 56  ? 0.2388 0.2642 0.2794 0.0113  0.0050  -0.0013 300 HIS C CE1 
1308 N NE2 . HIS B 56  ? 0.2364 0.2578 0.2776 0.0099  0.0059  -0.0018 300 HIS C NE2 
1309 N N   . TRP B 57  ? 0.1527 0.1751 0.1843 0.0092  0.0003  -0.0077 301 TRP C N   
1310 C CA  . TRP B 57  ? 0.1463 0.1672 0.1767 0.0085  0.0000  -0.0080 301 TRP C CA  
1311 C C   . TRP B 57  ? 0.1458 0.1628 0.1777 0.0067  0.0000  -0.0071 301 TRP C C   
1312 O O   . TRP B 57  ? 0.1470 0.1613 0.1761 0.0055  0.0008  -0.0055 301 TRP C O   
1313 C CB  . TRP B 57  ? 0.1364 0.1611 0.1687 0.0095  -0.0018 -0.0109 301 TRP C CB  
1314 C CG  . TRP B 57  ? 0.1341 0.1570 0.1659 0.0089  -0.0021 -0.0109 301 TRP C CG  
1315 C CD1 . TRP B 57  ? 0.1402 0.1620 0.1761 0.0081  -0.0032 -0.0121 301 TRP C CD1 
1316 C CD2 . TRP B 57  ? 0.1260 0.1479 0.1535 0.0088  -0.0011 -0.0092 301 TRP C CD2 
1317 N NE1 . TRP B 57  ? 0.1322 0.1525 0.1666 0.0076  -0.0031 -0.0111 301 TRP C NE1 
1318 C CE2 . TRP B 57  ? 0.1247 0.1450 0.1538 0.0079  -0.0018 -0.0095 301 TRP C CE2 
1319 C CE3 . TRP B 57  ? 0.1269 0.1492 0.1503 0.0093  0.0001  -0.0074 301 TRP C CE3 
1320 C CZ2 . TRP B 57  ? 0.1161 0.1353 0.1422 0.0076  -0.0013 -0.0081 301 TRP C CZ2 
1321 C CZ3 . TRP B 57  ? 0.1232 0.1443 0.1438 0.0090  0.0007  -0.0062 301 TRP C CZ3 
1322 C CH2 . TRP B 57  ? 0.1176 0.1371 0.1393 0.0081  0.0000  -0.0066 301 TRP C CH2 
1323 N N   . PRO B 58  ? 0.1393 0.1559 0.1756 0.0062  -0.0006 -0.0077 302 PRO C N   
1324 C CA  . PRO B 58  ? 0.1388 0.1524 0.1767 0.0044  -0.0005 -0.0062 302 PRO C CA  
1325 C C   . PRO B 58  ? 0.1415 0.1519 0.1749 0.0028  0.0015  -0.0035 302 PRO C C   
1326 O O   . PRO B 58  ? 0.1282 0.1368 0.1607 0.0011  0.0016  -0.0019 302 PRO C O   
1327 C CB  . PRO B 58  ? 0.1423 0.1566 0.1861 0.0044  -0.0013 -0.0072 302 PRO C CB  
1328 C CG  . PRO B 58  ? 0.1468 0.1650 0.1927 0.0063  -0.0027 -0.0103 302 PRO C CG  
1329 C CD  . PRO B 58  ? 0.1432 0.1628 0.1836 0.0073  -0.0016 -0.0097 302 PRO C CD  
1330 N N   . GLN B 59  ? 0.1436 0.1539 0.1747 0.0032  0.0033  -0.0030 303 GLN C N   
1331 C CA  . GLN B 59  ? 0.1506 0.1581 0.1778 0.0016  0.0057  -0.0012 303 GLN C CA  
1332 C C   . GLN B 59  ? 0.1438 0.1504 0.1665 0.0012  0.0062  -0.0007 303 GLN C C   
1333 O O   . GLN B 59  ? 0.1587 0.1631 0.1782 -0.0004 0.0078  0.0003  303 GLN C O   
1334 C CB  . GLN B 59  ? 0.1651 0.1722 0.1922 0.0020  0.0078  -0.0009 303 GLN C CB  
1335 C CG  . GLN B 59  ? 0.1778 0.1846 0.2085 0.0013  0.0082  -0.0007 303 GLN C CG  
1336 C CD  . GLN B 59  ? 0.1886 0.1980 0.2241 0.0028  0.0059  -0.0021 303 GLN C CD  
1337 O OE1 . GLN B 59  ? 0.2122 0.2242 0.2480 0.0046  0.0050  -0.0032 303 GLN C OE1 
1338 N NE2 . GLN B 59  ? 0.1840 0.1933 0.2235 0.0021  0.0048  -0.0021 303 GLN C NE2 
1339 N N   . ILE B 60  ? 0.1425 0.1511 0.1651 0.0027  0.0050  -0.0016 304 ILE C N   
1340 C CA  . ILE B 60  ? 0.1461 0.1540 0.1652 0.0025  0.0052  -0.0010 304 ILE C CA  
1341 C C   . ILE B 60  ? 0.1455 0.1529 0.1654 0.0014  0.0036  -0.0008 304 ILE C C   
1342 O O   . ILE B 60  ? 0.1383 0.1440 0.1555 -0.0002 0.0040  0.0004  304 ILE C O   
1343 C CB  . ILE B 60  ? 0.1420 0.1527 0.1607 0.0046  0.0049  -0.0017 304 ILE C CB  
1344 C CG1 . ILE B 60  ? 0.1405 0.1516 0.1589 0.0054  0.0068  -0.0010 304 ILE C CG1 
1345 C CG2 . ILE B 60  ? 0.1406 0.1511 0.1568 0.0045  0.0047  -0.0013 304 ILE C CG2 
1346 C CD1 . ILE B 60  ? 0.1436 0.1585 0.1624 0.0076  0.0062  -0.0011 304 ILE C CD1 
1347 N N   . ALA B 61  ? 0.1418 0.1510 0.1660 0.0022  0.0016  -0.0021 305 ALA C N   
1348 C CA  . ALA B 61  ? 0.1390 0.1482 0.1657 0.0016  0.0000  -0.0020 305 ALA C CA  
1349 C C   . ALA B 61  ? 0.1378 0.1448 0.1649 -0.0007 0.0000  0.0002  305 ALA C C   
1350 O O   . ALA B 61  ? 0.1310 0.1375 0.1587 -0.0018 -0.0010 0.0015  305 ALA C O   
1351 C CB  . ALA B 61  ? 0.1374 0.1490 0.1697 0.0030  -0.0016 -0.0045 305 ALA C CB  
1352 N N   . GLN B 62  ? 0.1389 0.1449 0.1656 -0.0017 0.0011  0.0011  306 GLN C N   
1353 C CA  . GLN B 62  ? 0.1481 0.1529 0.1745 -0.0042 0.0012  0.0036  306 GLN C CA  
1354 C C   . GLN B 62  ? 0.1470 0.1506 0.1679 -0.0060 0.0020  0.0051  306 GLN C C   
1355 O O   . GLN B 62  ? 0.1487 0.1521 0.1690 -0.0083 0.0016  0.0074  306 GLN C O   
1356 C CB  . GLN B 62  ? 0.1643 0.1685 0.1902 -0.0049 0.0029  0.0040  306 GLN C CB  
1357 C CG  . GLN B 62  ? 0.1695 0.1726 0.1903 -0.0050 0.0055  0.0035  306 GLN C CG  
1358 C CD  . GLN B 62  ? 0.1825 0.1851 0.2039 -0.0056 0.0073  0.0036  306 GLN C CD  
1359 O OE1 . GLN B 62  ? 0.1951 0.1975 0.2167 -0.0076 0.0076  0.0053  306 GLN C OE1 
1360 N NE2 . GLN B 62  ? 0.1673 0.1700 0.1891 -0.0040 0.0087  0.0023  306 GLN C NE2 
1361 N N   . PHE B 63  ? 0.1417 0.1450 0.1589 -0.0051 0.0029  0.0041  307 PHE C N   
1362 C CA  . PHE B 63  ? 0.1499 0.1522 0.1625 -0.0068 0.0035  0.0052  307 PHE C CA  
1363 C C   . PHE B 63  ? 0.1454 0.1483 0.1589 -0.0064 0.0017  0.0055  307 PHE C C   
1364 O O   . PHE B 63  ? 0.1584 0.1607 0.1689 -0.0080 0.0017  0.0067  307 PHE C O   
1365 C CB  . PHE B 63  ? 0.1529 0.1542 0.1616 -0.0064 0.0059  0.0040  307 PHE C CB  
1366 C CG  . PHE B 63  ? 0.1627 0.1632 0.1707 -0.0072 0.0081  0.0037  307 PHE C CG  
1367 C CD1 . PHE B 63  ? 0.1718 0.1716 0.1773 -0.0100 0.0090  0.0048  307 PHE C CD1 
1368 C CD2 . PHE B 63  ? 0.1732 0.1740 0.1831 -0.0052 0.0091  0.0025  307 PHE C CD2 
1369 C CE1 . PHE B 63  ? 0.1809 0.1802 0.1860 -0.0107 0.0112  0.0044  307 PHE C CE1 
1370 C CE2 . PHE B 63  ? 0.1683 0.1684 0.1783 -0.0059 0.0112  0.0023  307 PHE C CE2 
1371 C CZ  . PHE B 63  ? 0.1791 0.1783 0.1867 -0.0086 0.0124  0.0031  307 PHE C CZ  
1372 N N   . ALA B 64  ? 0.1340 0.1383 0.1519 -0.0043 0.0003  0.0042  308 ALA C N   
1373 C CA  . ALA B 64  ? 0.1330 0.1380 0.1523 -0.0037 -0.0010 0.0042  308 ALA C CA  
1374 C C   . ALA B 64  ? 0.1316 0.1366 0.1542 -0.0056 -0.0027 0.0065  308 ALA C C   
1375 O O   . ALA B 64  ? 0.1385 0.1436 0.1646 -0.0063 -0.0034 0.0075  308 ALA C O   
1376 C CB  . ALA B 64  ? 0.1312 0.1382 0.1540 -0.0011 -0.0016 0.0016  308 ALA C CB  
1377 N N   . PRO B 65  ? 0.1240 0.1288 0.1455 -0.0065 -0.0035 0.0079  309 PRO C N   
1378 C CA  . PRO B 65  ? 0.1149 0.1201 0.1396 -0.0085 -0.0053 0.0109  309 PRO C CA  
1379 C C   . PRO B 65  ? 0.1100 0.1162 0.1427 -0.0072 -0.0069 0.0104  309 PRO C C   
1380 O O   . PRO B 65  ? 0.1108 0.1178 0.1453 -0.0050 -0.0069 0.0079  309 PRO C O   
1381 C CB  . PRO B 65  ? 0.1140 0.1188 0.1347 -0.0099 -0.0054 0.0123  309 PRO C CB  
1382 C CG  . PRO B 65  ? 0.1130 0.1174 0.1306 -0.0079 -0.0040 0.0097  309 PRO C CG  
1383 C CD  . PRO B 65  ? 0.1133 0.1179 0.1309 -0.0059 -0.0027 0.0073  309 PRO C CD  
1384 N N   . SER B 66  ? 0.1114 0.1180 0.1491 -0.0087 -0.0084 0.0131  310 SER C N   
1385 C CA  . SER B 66  ? 0.1134 0.1210 0.1598 -0.0082 -0.0101 0.0138  310 SER C CA  
1386 C C   . SER B 66  ? 0.1126 0.1203 0.1583 -0.0083 -0.0107 0.0146  310 SER C C   
1387 O O   . SER B 66  ? 0.1120 0.1192 0.1507 -0.0096 -0.0102 0.0158  310 SER C O   
1388 C CB  . SER B 66  ? 0.1115 0.1196 0.1632 -0.0102 -0.0116 0.0178  310 SER C CB  
1389 O OG  . SER B 66  ? 0.1126 0.1211 0.1596 -0.0130 -0.0121 0.0218  310 SER C OG  
1390 N N   . ALA B 67  ? 0.1136 0.1221 0.1669 -0.0071 -0.0118 0.0139  311 ALA C N   
1391 C CA  . ALA B 67  ? 0.1190 0.1278 0.1730 -0.0073 -0.0124 0.0150  311 ALA C CA  
1392 C C   . ALA B 67  ? 0.1200 0.1289 0.1723 -0.0104 -0.0138 0.0202  311 ALA C C   
1393 O O   . ALA B 67  ? 0.1129 0.1217 0.1601 -0.0114 -0.0138 0.0212  311 ALA C O   
1394 C CB  . ALA B 67  ? 0.1235 0.1332 0.1875 -0.0057 -0.0131 0.0135  311 ALA C CB  
1395 N N   . SER B 68  ? 0.1132 0.1227 0.1693 -0.0121 -0.0149 0.0234  312 SER C N   
1396 C CA  . SER B 68  ? 0.1160 0.1266 0.1708 -0.0153 -0.0164 0.0287  312 SER C CA  
1397 C C   . SER B 68  ? 0.1147 0.1249 0.1581 -0.0171 -0.0153 0.0287  312 SER C C   
1398 O O   . SER B 68  ? 0.1131 0.1240 0.1527 -0.0190 -0.0160 0.0309  312 SER C O   
1399 C CB  . SER B 68  ? 0.1234 0.1353 0.1850 -0.0165 -0.0177 0.0322  312 SER C CB  
1400 O OG  . SER B 68  ? 0.1294 0.1433 0.1907 -0.0198 -0.0195 0.0380  312 SER C OG  
1401 N N   . ALA B 69  ? 0.1175 0.1267 0.1560 -0.0165 -0.0134 0.0261  313 ALA C N   
1402 C CA  . ALA B 69  ? 0.1156 0.1243 0.1445 -0.0182 -0.0119 0.0257  313 ALA C CA  
1403 C C   . ALA B 69  ? 0.1141 0.1217 0.1381 -0.0171 -0.0108 0.0230  313 ALA C C   
1404 O O   . ALA B 69  ? 0.1110 0.1185 0.1286 -0.0191 -0.0103 0.0234  313 ALA C O   
1405 C CB  . ALA B 69  ? 0.1166 0.1246 0.1432 -0.0176 -0.0102 0.0237  313 ALA C CB  
1406 N N   . PHE B 70  ? 0.1105 0.1174 0.1376 -0.0140 -0.0103 0.0200  314 PHE C N   
1407 C CA  . PHE B 70  ? 0.1116 0.1178 0.1352 -0.0129 -0.0094 0.0181  314 PHE C CA  
1408 C C   . PHE B 70  ? 0.1182 0.1250 0.1415 -0.0150 -0.0109 0.0210  314 PHE C C   
1409 O O   . PHE B 70  ? 0.1256 0.1320 0.1431 -0.0162 -0.0102 0.0209  314 PHE C O   
1410 C CB  . PHE B 70  ? 0.1052 0.1115 0.1329 -0.0096 -0.0089 0.0150  314 PHE C CB  
1411 C CG  . PHE B 70  ? 0.1028 0.1089 0.1272 -0.0083 -0.0078 0.0134  314 PHE C CG  
1412 C CD1 . PHE B 70  ? 0.1079 0.1133 0.1267 -0.0075 -0.0058 0.0115  314 PHE C CD1 
1413 C CD2 . PHE B 70  ? 0.1039 0.1107 0.1313 -0.0080 -0.0087 0.0142  314 PHE C CD2 
1414 C CE1 . PHE B 70  ? 0.1059 0.1113 0.1221 -0.0065 -0.0048 0.0106  314 PHE C CE1 
1415 C CE2 . PHE B 70  ? 0.1096 0.1164 0.1341 -0.0069 -0.0076 0.0130  314 PHE C CE2 
1416 C CZ  . PHE B 70  ? 0.1039 0.1101 0.1229 -0.0062 -0.0057 0.0114  314 PHE C CZ  
1417 N N   . PHE B 71  ? 0.1196 0.1277 0.1497 -0.0155 -0.0130 0.0237  315 PHE C N   
1418 C CA  . PHE B 71  ? 0.1213 0.1304 0.1523 -0.0174 -0.0147 0.0268  315 PHE C CA  
1419 C C   . PHE B 71  ? 0.1270 0.1375 0.1540 -0.0212 -0.0159 0.0305  315 PHE C C   
1420 O O   . PHE B 71  ? 0.1351 0.1466 0.1600 -0.0233 -0.0170 0.0326  315 PHE C O   
1421 C CB  . PHE B 71  ? 0.1168 0.1268 0.1575 -0.0161 -0.0163 0.0281  315 PHE C CB  
1422 C CG  . PHE B 71  ? 0.1053 0.1146 0.1475 -0.0132 -0.0151 0.0247  315 PHE C CG  
1423 C CD1 . PHE B 71  ? 0.1016 0.1107 0.1481 -0.0103 -0.0141 0.0211  315 PHE C CD1 
1424 C CD2 . PHE B 71  ? 0.1019 0.1111 0.1407 -0.0135 -0.0149 0.0248  315 PHE C CD2 
1425 C CE1 . PHE B 71  ? 0.0965 0.1058 0.1435 -0.0079 -0.0128 0.0180  315 PHE C CE1 
1426 C CE2 . PHE B 71  ? 0.0994 0.1083 0.1393 -0.0109 -0.0137 0.0219  315 PHE C CE2 
1427 C CZ  . PHE B 71  ? 0.0980 0.1072 0.1418 -0.0081 -0.0126 0.0186  315 PHE C CZ  
1428 N N   . GLY B 72  ? 0.1273 0.1383 0.1531 -0.0222 -0.0156 0.0312  316 GLY C N   
1429 C CA  . GLY B 72  ? 0.1307 0.1437 0.1524 -0.0259 -0.0164 0.0345  316 GLY C CA  
1430 C C   . GLY B 72  ? 0.1340 0.1463 0.1459 -0.0275 -0.0144 0.0321  316 GLY C C   
1431 O O   . GLY B 72  ? 0.1304 0.1448 0.1378 -0.0308 -0.0152 0.0342  316 GLY C O   
1432 N N   . MET B 73  ? 0.1410 0.1509 0.1500 -0.0253 -0.0118 0.0279  317 MET C N   
1433 C CA  . MET B 73  ? 0.1508 0.1599 0.1520 -0.0266 -0.0095 0.0254  317 MET C CA  
1434 C C   . MET B 73  ? 0.1500 0.1577 0.1481 -0.0260 -0.0085 0.0230  317 MET C C   
1435 O O   . MET B 73  ? 0.1610 0.1687 0.1533 -0.0282 -0.0074 0.0219  317 MET C O   
1436 C CB  . MET B 73  ? 0.1601 0.1676 0.1607 -0.0247 -0.0072 0.0225  317 MET C CB  
1437 C CG  . MET B 73  ? 0.1789 0.1876 0.1821 -0.0253 -0.0076 0.0244  317 MET C CG  
1438 S SD  . MET B 73  ? 0.1939 0.2007 0.1968 -0.0229 -0.0049 0.0209  317 MET C SD  
1439 C CE  . MET B 73  ? 0.2012 0.2057 0.2050 -0.0190 -0.0038 0.0171  317 MET C CE  
1440 N N   . SER B 74  ? 0.1423 0.1489 0.1445 -0.0231 -0.0088 0.0221  318 SER C N   
1441 C CA  . SER B 74  ? 0.1458 0.1508 0.1457 -0.0218 -0.0073 0.0197  318 SER C CA  
1442 C C   . SER B 74  ? 0.1529 0.1589 0.1516 -0.0240 -0.0087 0.0213  318 SER C C   
1443 O O   . SER B 74  ? 0.1595 0.1674 0.1606 -0.0258 -0.0112 0.0246  318 SER C O   
1444 C CB  . SER B 74  ? 0.1440 0.1483 0.1483 -0.0180 -0.0069 0.0181  318 SER C CB  
1445 O OG  . SER B 74  ? 0.1387 0.1427 0.1450 -0.0160 -0.0061 0.0167  318 SER C OG  
1446 N N   . ARG B 75  ? 0.1548 0.1594 0.1500 -0.0240 -0.0071 0.0192  319 ARG C N   
1447 C CA  . ARG B 75  ? 0.1654 0.1705 0.1608 -0.0250 -0.0082 0.0201  319 ARG C CA  
1448 C C   . ARG B 75  ? 0.1484 0.1529 0.1488 -0.0216 -0.0083 0.0200  319 ARG C C   
1449 O O   . ARG B 75  ? 0.1580 0.1612 0.1585 -0.0189 -0.0063 0.0176  319 ARG C O   
1450 C CB  . ARG B 75  ? 0.1801 0.1842 0.1705 -0.0267 -0.0063 0.0178  319 ARG C CB  
1451 C CG  . ARG B 75  ? 0.2066 0.2114 0.1920 -0.0298 -0.0056 0.0171  319 ARG C CG  
1452 C CD  . ARG B 75  ? 0.2274 0.2328 0.2081 -0.0334 -0.0051 0.0159  319 ARG C CD  
1453 N NE  . ARG B 75  ? 0.2349 0.2418 0.2168 -0.0349 -0.0075 0.0179  319 ARG C NE  
1454 C CZ  . ARG B 75  ? 0.2191 0.2291 0.2006 -0.0379 -0.0104 0.0210  319 ARG C CZ  
1455 N NH1 . ARG B 75  ? 0.2239 0.2348 0.2068 -0.0389 -0.0121 0.0224  319 ARG C NH1 
1456 N NH2 . ARG B 75  ? 0.2162 0.2286 0.1961 -0.0400 -0.0115 0.0231  319 ARG C NH2 
1457 N N   . ILE B 76  ? 0.1375 0.1435 0.1424 -0.0219 -0.0106 0.0226  320 ILE C N   
1458 C CA  . ILE B 76  ? 0.1310 0.1369 0.1413 -0.0188 -0.0108 0.0224  320 ILE C CA  
1459 C C   . ILE B 76  ? 0.1354 0.1415 0.1460 -0.0195 -0.0113 0.0233  320 ILE C C   
1460 O O   . ILE B 76  ? 0.1295 0.1367 0.1393 -0.0225 -0.0131 0.0256  320 ILE C O   
1461 C CB  . ILE B 76  ? 0.1198 0.1270 0.1366 -0.0183 -0.0128 0.0245  320 ILE C CB  
1462 C CG1 . ILE B 76  ? 0.1177 0.1248 0.1349 -0.0178 -0.0124 0.0238  320 ILE C CG1 
1463 C CG2 . ILE B 76  ? 0.1177 0.1252 0.1404 -0.0153 -0.0126 0.0237  320 ILE C CG2 
1464 C CD1 . ILE B 76  ? 0.1189 0.1249 0.1356 -0.0146 -0.0101 0.0202  320 ILE C CD1 
1465 N N   . GLY B 77  ? 0.1424 0.1479 0.1545 -0.0168 -0.0098 0.0217  321 GLY C N   
1466 C CA  . GLY B 77  ? 0.1519 0.1577 0.1656 -0.0170 -0.0102 0.0227  321 GLY C CA  
1467 C C   . GLY B 77  ? 0.1622 0.1686 0.1809 -0.0136 -0.0096 0.0221  321 GLY C C   
1468 O O   . GLY B 77  ? 0.1458 0.1525 0.1661 -0.0112 -0.0087 0.0205  321 GLY C O   
1469 N N   . MET B 78  ? 0.1759 0.1828 0.1971 -0.0135 -0.0100 0.0233  322 MET C N   
1470 C CA  . MET B 78  ? 0.2176 0.2255 0.2433 -0.0105 -0.0091 0.0226  322 MET C CA  
1471 C C   . MET B 78  ? 0.2288 0.2366 0.2536 -0.0102 -0.0078 0.0227  322 MET C C   
1472 O O   . MET B 78  ? 0.2609 0.2683 0.2851 -0.0125 -0.0089 0.0243  322 MET C O   
1473 C CB  . MET B 78  ? 0.2541 0.2634 0.2868 -0.0105 -0.0110 0.0245  322 MET C CB  
1474 C CG  . MET B 78  ? 0.3119 0.3222 0.3492 -0.0081 -0.0105 0.0228  322 MET C CG  
1475 S SD  . MET B 78  ? 0.4370 0.4490 0.4840 -0.0069 -0.0114 0.0238  322 MET C SD  
1476 C CE  . MET B 78  ? 0.4325 0.4446 0.4829 -0.0105 -0.0148 0.0285  322 MET C CE  
1477 N N   . GLU B 79  ? 0.2275 0.2358 0.2521 -0.0073 -0.0056 0.0210  323 GLU C N   
1478 C CA  . GLU B 79  ? 0.2546 0.2632 0.2790 -0.0065 -0.0041 0.0214  323 GLU C CA  
1479 C C   . GLU B 79  ? 0.2158 0.2267 0.2443 -0.0037 -0.0030 0.0211  323 GLU C C   
1480 O O   . GLU B 79  ? 0.1948 0.2072 0.2238 -0.0015 -0.0022 0.0193  323 GLU C O   
1481 C CB  . GLU B 79  ? 0.3036 0.3112 0.3237 -0.0059 -0.0020 0.0200  323 GLU C CB  
1482 C CG  . GLU B 79  ? 0.4003 0.4057 0.4167 -0.0089 -0.0024 0.0200  323 GLU C CG  
1483 C CD  . GLU B 79  ? 0.4730 0.4772 0.4860 -0.0083 -0.0002 0.0184  323 GLU C CD  
1484 O OE1 . GLU B 79  ? 0.5787 0.5839 0.5925 -0.0059 0.0016  0.0182  323 GLU C OE1 
1485 O OE2 . GLU B 79  ? 0.5931 0.5959 0.6029 -0.0104 -0.0004 0.0175  323 GLU C OE2 
1486 N N   . VAL B 80  ? 0.1930 0.2046 0.2245 -0.0038 -0.0031 0.0227  324 VAL C N   
1487 C CA  . VAL B 80  ? 0.1905 0.2046 0.2257 -0.0012 -0.0017 0.0224  324 VAL C CA  
1488 C C   . VAL B 80  ? 0.1870 0.2017 0.2204 -0.0001 0.0004  0.0229  324 VAL C C   
1489 O O   . VAL B 80  ? 0.1675 0.1806 0.2002 -0.0017 0.0002  0.0243  324 VAL C O   
1490 C CB  . VAL B 80  ? 0.1986 0.2132 0.2396 -0.0021 -0.0033 0.0243  324 VAL C CB  
1491 C CG1 . VAL B 80  ? 0.1872 0.2046 0.2325 0.0004  -0.0015 0.0238  324 VAL C CG1 
1492 C CG2 . VAL B 80  ? 0.2108 0.2249 0.2549 -0.0033 -0.0055 0.0245  324 VAL C CG2 
1493 N N   . THR B 81  ? 0.1709 0.1882 0.2035 0.0025  0.0024  0.0217  325 THR C N   
1494 C CA  . THR B 81  ? 0.1594 0.1780 0.1908 0.0038  0.0046  0.0226  325 THR C CA  
1495 C C   . THR B 81  ? 0.1559 0.1788 0.1893 0.0065  0.0063  0.0222  325 THR C C   
1496 O O   . THR B 81  ? 0.1366 0.1613 0.1721 0.0073  0.0059  0.0205  325 THR C O   
1497 C CB  . THR B 81  ? 0.1591 0.1768 0.1861 0.0040  0.0055  0.0219  325 THR C CB  
1498 O OG1 . THR B 81  ? 0.1446 0.1654 0.1705 0.0063  0.0065  0.0203  325 THR C OG1 
1499 C CG2 . THR B 81  ? 0.1843 0.1984 0.2087 0.0015  0.0039  0.0211  325 THR C CG2 
1500 N N   . PRO B 82  ? 0.1688 0.1941 0.2020 0.0079  0.0083  0.0237  326 PRO C N   
1501 C CA  . PRO B 82  ? 0.1546 0.1850 0.1894 0.0103  0.0101  0.0233  326 PRO C CA  
1502 C C   . PRO B 82  ? 0.1418 0.1752 0.1744 0.0119  0.0105  0.0204  326 PRO C C   
1503 O O   . PRO B 82  ? 0.1404 0.1781 0.1746 0.0135  0.0116  0.0190  326 PRO C O   
1504 C CB  . PRO B 82  ? 0.1673 0.1995 0.2020 0.0112  0.0120  0.0262  326 PRO C CB  
1505 C CG  . PRO B 82  ? 0.1690 0.1963 0.2042 0.0089  0.0109  0.0279  326 PRO C CG  
1506 C CD  . PRO B 82  ? 0.1690 0.1926 0.2014 0.0072  0.0091  0.0259  326 PRO C CD  
1507 N N   . SER B 83  ? 0.1308 0.1624 0.1600 0.0114  0.0098  0.0193  327 SER C N   
1508 C CA  . SER B 83  ? 0.1336 0.1682 0.1611 0.0128  0.0101  0.0164  327 SER C CA  
1509 C C   . SER B 83  ? 0.1353 0.1686 0.1654 0.0121  0.0085  0.0136  327 SER C C   
1510 O O   . SER B 83  ? 0.1331 0.1692 0.1631 0.0133  0.0088  0.0107  327 SER C O   
1511 C CB  . SER B 83  ? 0.1375 0.1713 0.1609 0.0128  0.0101  0.0165  327 SER C CB  
1512 O OG  . SER B 83  ? 0.1377 0.1663 0.1602 0.0107  0.0086  0.0166  327 SER C OG  
1513 N N   . GLY B 84  ? 0.1223 0.1515 0.1548 0.0102  0.0068  0.0146  328 GLY C N   
1514 C CA  . GLY B 84  ? 0.1261 0.1540 0.1619 0.0095  0.0052  0.0127  328 GLY C CA  
1515 C C   . GLY B 84  ? 0.1203 0.1435 0.1562 0.0069  0.0029  0.0145  328 GLY C C   
1516 O O   . GLY B 84  ? 0.1179 0.1389 0.1517 0.0055  0.0026  0.0168  328 GLY C O   
1517 N N   . THR B 85  ? 0.1104 0.1324 0.1490 0.0061  0.0013  0.0133  329 THR C N   
1518 C CA  . THR B 85  ? 0.1085 0.1270 0.1470 0.0035  -0.0008 0.0151  329 THR C CA  
1519 C C   . THR B 85  ? 0.1012 0.1187 0.1360 0.0033  -0.0011 0.0136  329 THR C C   
1520 O O   . THR B 85  ? 0.0920 0.1113 0.1279 0.0048  -0.0006 0.0110  329 THR C O   
1521 C CB  . THR B 85  ? 0.1073 0.1256 0.1525 0.0026  -0.0026 0.0159  329 THR C CB  
1522 O OG1 . THR B 85  ? 0.0996 0.1190 0.1482 0.0030  -0.0021 0.0172  329 THR C OG1 
1523 C CG2 . THR B 85  ? 0.1080 0.1234 0.1530 -0.0002 -0.0051 0.0183  329 THR C CG2 
1524 N N   . TRP B 86  ? 0.1026 0.1174 0.1331 0.0014  -0.0017 0.0150  330 TRP C N   
1525 C CA  . TRP B 86  ? 0.1083 0.1221 0.1348 0.0012  -0.0015 0.0138  330 TRP C CA  
1526 C C   . TRP B 86  ? 0.1157 0.1271 0.1419 -0.0014 -0.0035 0.0150  330 TRP C C   
1527 O O   . TRP B 86  ? 0.1214 0.1313 0.1468 -0.0036 -0.0045 0.0171  330 TRP C O   
1528 C CB  . TRP B 86  ? 0.1138 0.1273 0.1356 0.0016  0.0002  0.0140  330 TRP C CB  
1529 C CG  . TRP B 86  ? 0.1150 0.1318 0.1369 0.0043  0.0021  0.0133  330 TRP C CG  
1530 C CD1 . TRP B 86  ? 0.1195 0.1379 0.1431 0.0051  0.0030  0.0145  330 TRP C CD1 
1531 C CD2 . TRP B 86  ? 0.1146 0.1338 0.1346 0.0063  0.0034  0.0116  330 TRP C CD2 
1532 N NE1 . TRP B 86  ? 0.1248 0.1468 0.1476 0.0075  0.0048  0.0138  330 TRP C NE1 
1533 C CE2 . TRP B 86  ? 0.1184 0.1411 0.1389 0.0082  0.0050  0.0120  330 TRP C CE2 
1534 C CE3 . TRP B 86  ? 0.1208 0.1400 0.1389 0.0066  0.0033  0.0100  330 TRP C CE3 
1535 C CZ2 . TRP B 86  ? 0.1232 0.1498 0.1420 0.0102  0.0063  0.0110  330 TRP C CZ2 
1536 C CZ3 . TRP B 86  ? 0.1229 0.1456 0.1396 0.0087  0.0046  0.0088  330 TRP C CZ3 
1537 C CH2 . TRP B 86  ? 0.1287 0.1552 0.1456 0.0104  0.0060  0.0094  330 TRP C CH2 
1538 N N   . LEU B 87  ? 0.1121 0.1234 0.1387 -0.0013 -0.0040 0.0138  331 LEU C N   
1539 C CA  . LEU B 87  ? 0.1212 0.1306 0.1467 -0.0038 -0.0056 0.0151  331 LEU C CA  
1540 C C   . LEU B 87  ? 0.1121 0.1202 0.1316 -0.0043 -0.0044 0.0143  331 LEU C C   
1541 O O   . LEU B 87  ? 0.1103 0.1189 0.1286 -0.0026 -0.0031 0.0124  331 LEU C O   
1542 C CB  . LEU B 87  ? 0.1495 0.1597 0.1797 -0.0032 -0.0066 0.0142  331 LEU C CB  
1543 C CG  . LEU B 87  ? 0.1754 0.1844 0.2061 -0.0057 -0.0084 0.0161  331 LEU C CG  
1544 C CD1 . LEU B 87  ? 0.2085 0.2173 0.2410 -0.0082 -0.0104 0.0195  331 LEU C CD1 
1545 C CD2 . LEU B 87  ? 0.1733 0.1832 0.2099 -0.0047 -0.0091 0.0152  331 LEU C CD2 
1546 N N   . THR B 88  ? 0.1035 0.1100 0.1196 -0.0067 -0.0045 0.0157  332 THR C N   
1547 C CA  . THR B 88  ? 0.1084 0.1134 0.1194 -0.0074 -0.0030 0.0147  332 THR C CA  
1548 C C   . THR B 88  ? 0.1071 0.1112 0.1164 -0.0095 -0.0040 0.0150  332 THR C C   
1549 O O   . THR B 88  ? 0.0969 0.1015 0.1080 -0.0114 -0.0060 0.0168  332 THR C O   
1550 C CB  . THR B 88  ? 0.1106 0.1145 0.1192 -0.0087 -0.0022 0.0153  332 THR C CB  
1551 O OG1 . THR B 88  ? 0.1107 0.1143 0.1194 -0.0117 -0.0041 0.0170  332 THR C OG1 
1552 C CG2 . THR B 88  ? 0.1134 0.1184 0.1241 -0.0067 -0.0012 0.0156  332 THR C CG2 
1553 N N   . TYR B 89  ? 0.1033 0.1066 0.1096 -0.0092 -0.0024 0.0134  333 TYR C N   
1554 C CA  . TYR B 89  ? 0.1056 0.1083 0.1102 -0.0110 -0.0030 0.0136  333 TYR C CA  
1555 C C   . TYR B 89  ? 0.1142 0.1155 0.1145 -0.0118 -0.0009 0.0121  333 TYR C C   
1556 O O   . TYR B 89  ? 0.1201 0.1211 0.1201 -0.0098 0.0009  0.0108  333 TYR C O   
1557 C CB  . TYR B 89  ? 0.0974 0.1011 0.1054 -0.0093 -0.0036 0.0130  333 TYR C CB  
1558 C CG  . TYR B 89  ? 0.0910 0.0952 0.0992 -0.0063 -0.0020 0.0107  333 TYR C CG  
1559 C CD1 . TYR B 89  ? 0.0868 0.0928 0.0979 -0.0037 -0.0018 0.0099  333 TYR C CD1 
1560 C CD2 . TYR B 89  ? 0.0938 0.0973 0.0996 -0.0061 -0.0006 0.0096  333 TYR C CD2 
1561 C CE1 . TYR B 89  ? 0.0880 0.0955 0.0991 -0.0013 -0.0006 0.0080  333 TYR C CE1 
1562 C CE2 . TYR B 89  ? 0.0905 0.0951 0.0969 -0.0035 0.0005  0.0079  333 TYR C CE2 
1563 C CZ  . TYR B 89  ? 0.0878 0.0945 0.0966 -0.0012 0.0004  0.0072  333 TYR C CZ  
1564 O OH  . TYR B 89  ? 0.0901 0.0987 0.0991 0.0011  0.0014  0.0057  333 TYR C OH  
1565 N N   . THR B 90  ? 0.1226 0.1233 0.1198 -0.0149 -0.0011 0.0125  334 THR C N   
1566 C CA  . THR B 90  ? 0.1244 0.1238 0.1181 -0.0158 0.0010  0.0107  334 THR C CA  
1567 C C   . THR B 90  ? 0.1176 0.1175 0.1096 -0.0181 0.0002  0.0114  334 THR C C   
1568 O O   . THR B 90  ? 0.1097 0.1110 0.1026 -0.0198 -0.0020 0.0136  334 THR C O   
1569 C CB  . THR B 90  ? 0.1404 0.1387 0.1314 -0.0177 0.0023  0.0098  334 THR C CB  
1570 O OG1 . THR B 90  ? 0.1640 0.1633 0.1531 -0.0211 0.0005  0.0111  334 THR C OG1 
1571 C CG2 . THR B 90  ? 0.1493 0.1473 0.1425 -0.0157 0.0029  0.0098  334 THR C CG2 
1572 N N   . GLY B 91  ? 0.1159 0.1151 0.1063 -0.0179 0.0021  0.0098  335 GLY C N   
1573 C CA  . GLY B 91  ? 0.1164 0.1162 0.1048 -0.0203 0.0019  0.0103  335 GLY C CA  
1574 C C   . GLY B 91  ? 0.1201 0.1187 0.1072 -0.0197 0.0045  0.0081  335 GLY C C   
1575 O O   . GLY B 91  ? 0.1169 0.1142 0.1045 -0.0178 0.0065  0.0064  335 GLY C O   
1576 N N   . ALA B 92  ? 0.1236 0.1230 0.1093 -0.0215 0.0045  0.0086  336 ALA C N   
1577 C CA  . ALA B 92  ? 0.1433 0.1417 0.1279 -0.0212 0.0071  0.0067  336 ALA C CA  
1578 C C   . ALA B 92  ? 0.1550 0.1547 0.1404 -0.0219 0.0062  0.0082  336 ALA C C   
1579 O O   . ALA B 92  ? 0.1644 0.1660 0.1488 -0.0244 0.0045  0.0103  336 ALA C O   
1580 C CB  . ALA B 92  ? 0.1488 0.1466 0.1294 -0.0239 0.0095  0.0045  336 ALA C CB  
1581 N N   . ILE B 93  ? 0.1724 0.1715 0.1602 -0.0198 0.0074  0.0072  337 ILE C N   
1582 C CA  . ILE B 93  ? 0.1750 0.1751 0.1643 -0.0202 0.0069  0.0084  337 ILE C CA  
1583 C C   . ILE B 93  ? 0.1996 0.1991 0.1864 -0.0213 0.0099  0.0066  337 ILE C C   
1584 O O   . ILE B 93  ? 0.1615 0.1594 0.1488 -0.0196 0.0121  0.0044  337 ILE C O   
1585 C CB  . ILE B 93  ? 0.1884 0.1884 0.1828 -0.0168 0.0057  0.0085  337 ILE C CB  
1586 C CG1 . ILE B 93  ? 0.1983 0.1991 0.1955 -0.0160 0.0030  0.0100  337 ILE C CG1 
1587 C CG2 . ILE B 93  ? 0.1826 0.1834 0.1797 -0.0168 0.0055  0.0092  337 ILE C CG2 
1588 C CD1 . ILE B 93  ? 0.1924 0.1933 0.1938 -0.0125 0.0024  0.0088  337 ILE C CD1 
1589 N N   . LYS B 94  ? 0.2173 0.2183 0.2017 -0.0242 0.0100  0.0078  338 LYS C N   
1590 C CA  . LYS B 94  ? 0.2536 0.2546 0.2353 -0.0259 0.0130  0.0060  338 LYS C CA  
1591 C C   . LYS B 94  ? 0.2431 0.2436 0.2287 -0.0237 0.0138  0.0060  338 LYS C C   
1592 O O   . LYS B 94  ? 0.2411 0.2428 0.2298 -0.0232 0.0118  0.0083  338 LYS C O   
1593 C CB  . LYS B 94  ? 0.2822 0.2859 0.2596 -0.0300 0.0129  0.0075  338 LYS C CB  
1594 C CG  . LYS B 94  ? 0.3383 0.3420 0.3123 -0.0320 0.0166  0.0046  338 LYS C CG  
1595 C CD  . LYS B 94  ? 0.4007 0.4078 0.3704 -0.0360 0.0170  0.0059  338 LYS C CD  
1596 C CE  . LYS B 94  ? 0.4443 0.4536 0.4088 -0.0395 0.0163  0.0059  338 LYS C CE  
1597 N NZ  . LYS B 94  ? 0.4928 0.5056 0.4522 -0.0435 0.0179  0.0057  338 LYS C NZ  
1598 N N   . LEU B 95  ? 0.2449 0.2437 0.2312 -0.0224 0.0166  0.0034  339 LEU C N   
1599 C CA  . LEU B 95  ? 0.2476 0.2462 0.2371 -0.0210 0.0177  0.0033  339 LEU C CA  
1600 C C   . LEU B 95  ? 0.2575 0.2576 0.2444 -0.0240 0.0193  0.0037  339 LEU C C   
1601 O O   . LEU B 95  ? 0.2174 0.2184 0.1996 -0.0271 0.0208  0.0027  339 LEU C O   
1602 C CB  . LEU B 95  ? 0.2533 0.2499 0.2447 -0.0188 0.0203  0.0008  339 LEU C CB  
1603 C CG  . LEU B 95  ? 0.2587 0.2549 0.2540 -0.0152 0.0187  0.0010  339 LEU C CG  
1604 C CD1 . LEU B 95  ? 0.2625 0.2586 0.2565 -0.0149 0.0170  0.0014  339 LEU C CD1 
1605 C CD2 . LEU B 95  ? 0.2752 0.2702 0.2732 -0.0131 0.0211  -0.0005 339 LEU C CD2 
1606 N N   . ASP B 96  ? 0.2606 0.2615 0.2510 -0.0232 0.0189  0.0051  340 ASP C N   
1607 C CA  . ASP B 96  ? 0.2780 0.2805 0.2669 -0.0256 0.0204  0.0059  340 ASP C CA  
1608 C C   . ASP B 96  ? 0.2961 0.2973 0.2855 -0.0252 0.0243  0.0030  340 ASP C C   
1609 O O   . ASP B 96  ? 0.2818 0.2823 0.2758 -0.0229 0.0247  0.0030  340 ASP C O   
1610 C CB  . ASP B 96  ? 0.3040 0.3079 0.2974 -0.0249 0.0181  0.0090  340 ASP C CB  
1611 C CG  . ASP B 96  ? 0.3287 0.3351 0.3214 -0.0275 0.0193  0.0109  340 ASP C CG  
1612 O OD1 . ASP B 96  ? 0.3663 0.3736 0.3638 -0.0267 0.0176  0.0134  340 ASP C OD1 
1613 O OD2 . ASP B 96  ? 0.2809 0.2883 0.2684 -0.0303 0.0219  0.0097  340 ASP C OD2 
1614 N N   . ASP B 97  ? 0.3126 0.3138 0.2977 -0.0275 0.0273  0.0006  341 ASP C N   
1615 C CA  . ASP B 97  ? 0.3632 0.3630 0.3493 -0.0273 0.0314  -0.0023 341 ASP C CA  
1616 C C   . ASP B 97  ? 0.3574 0.3590 0.3437 -0.0288 0.0332  -0.0016 341 ASP C C   
1617 O O   . ASP B 97  ? 0.3937 0.3945 0.3814 -0.0287 0.0368  -0.0040 341 ASP C O   
1618 C CB  . ASP B 97  ? 0.4081 0.4072 0.3905 -0.0293 0.0343  -0.0058 341 ASP C CB  
1619 C CG  . ASP B 97  ? 0.4724 0.4743 0.4481 -0.0336 0.0344  -0.0060 341 ASP C CG  
1620 O OD1 . ASP B 97  ? 0.5902 0.5918 0.5631 -0.0349 0.0345  -0.0078 341 ASP C OD1 
1621 O OD2 . ASP B 97  ? 0.4796 0.4843 0.4533 -0.0357 0.0343  -0.0041 341 ASP C OD2 
1622 N N   . LYS B 98  ? 0.3478 0.3521 0.3333 -0.0302 0.0309  0.0017  342 LYS C N   
1623 C CA  . LYS B 98  ? 0.4224 0.4285 0.4096 -0.0310 0.0321  0.0032  342 LYS C CA  
1624 C C   . LYS B 98  ? 0.3611 0.3657 0.3555 -0.0275 0.0305  0.0046  342 LYS C C   
1625 O O   . LYS B 98  ? 0.3564 0.3617 0.3536 -0.0275 0.0320  0.0052  342 LYS C O   
1626 C CB  . LYS B 98  ? 0.4906 0.5006 0.4746 -0.0342 0.0302  0.0068  342 LYS C CB  
1627 C CG  . LYS B 98  ? 0.5774 0.5900 0.5538 -0.0382 0.0316  0.0057  342 LYS C CG  
1628 C CD  . LYS B 98  ? 0.6638 0.6762 0.6375 -0.0398 0.0367  0.0013  342 LYS C CD  
1629 C CE  . LYS B 98  ? 0.7280 0.7449 0.6944 -0.0446 0.0383  0.0010  342 LYS C CE  
1630 N NZ  . LYS B 98  ? 0.7431 0.7599 0.7076 -0.0461 0.0435  -0.0037 342 LYS C NZ  
1631 N N   . ASP B 99  ? 0.3064 0.3095 0.3039 -0.0247 0.0276  0.0050  343 ASP C N   
1632 C CA  . ASP B 99  ? 0.2661 0.2683 0.2702 -0.0214 0.0259  0.0057  343 ASP C CA  
1633 C C   . ASP B 99  ? 0.2501 0.2507 0.2569 -0.0198 0.0290  0.0033  343 ASP C C   
1634 O O   . ASP B 99  ? 0.2464 0.2454 0.2521 -0.0192 0.0309  0.0008  343 ASP C O   
1635 C CB  . ASP B 99  ? 0.2820 0.2834 0.2878 -0.0192 0.0225  0.0060  343 ASP C CB  
1636 C CG  . ASP B 99  ? 0.2839 0.2853 0.2962 -0.0164 0.0201  0.0069  343 ASP C CG  
1637 O OD1 . ASP B 99  ? 0.3080 0.3095 0.3216 -0.0152 0.0171  0.0075  343 ASP C OD1 
1638 O OD2 . ASP B 99  ? 0.2696 0.2710 0.2857 -0.0154 0.0212  0.0066  343 ASP C OD2 
1639 N N   . PRO B 100 ? 0.2411 0.2421 0.2524 -0.0190 0.0298  0.0040  344 PRO C N   
1640 C CA  . PRO B 100 ? 0.2409 0.2405 0.2560 -0.0171 0.0323  0.0020  344 PRO C CA  
1641 C C   . PRO B 100 ? 0.2337 0.2319 0.2515 -0.0139 0.0308  0.0010  344 PRO C C   
1642 O O   . PRO B 100 ? 0.2647 0.2618 0.2847 -0.0127 0.0330  -0.0004 344 PRO C O   
1643 C CB  . PRO B 100 ? 0.2442 0.2449 0.2644 -0.0166 0.0318  0.0038  344 PRO C CB  
1644 C CG  . PRO B 100 ? 0.2564 0.2592 0.2739 -0.0193 0.0309  0.0062  344 PRO C CG  
1645 C CD  . PRO B 100 ? 0.2385 0.2415 0.2521 -0.0200 0.0282  0.0069  344 PRO C CD  
1646 N N   . ASN B 101 ? 0.2347 0.2333 0.2527 -0.0127 0.0271  0.0021  345 ASN C N   
1647 C CA  . ASN B 101 ? 0.2596 0.2579 0.2799 -0.0099 0.0254  0.0014  345 ASN C CA  
1648 C C   . ASN B 101 ? 0.2397 0.2368 0.2558 -0.0102 0.0260  0.0003  345 ASN C C   
1649 O O   . ASN B 101 ? 0.2369 0.2341 0.2543 -0.0080 0.0246  0.0001  345 ASN C O   
1650 C CB  . ASN B 101 ? 0.2863 0.2858 0.3089 -0.0085 0.0214  0.0025  345 ASN C CB  
1651 C CG  . ASN B 101 ? 0.3215 0.3221 0.3495 -0.0079 0.0206  0.0033  345 ASN C CG  
1652 O OD1 . ASN B 101 ? 0.3849 0.3856 0.4166 -0.0061 0.0213  0.0026  345 ASN C OD1 
1653 N ND2 . ASN B 101 ? 0.3024 0.3038 0.3312 -0.0093 0.0192  0.0050  345 ASN C ND2 
1654 N N   . PHE B 102 ? 0.2366 0.2332 0.2479 -0.0129 0.0279  -0.0002 346 PHE C N   
1655 C CA  . PHE B 102 ? 0.2342 0.2299 0.2416 -0.0137 0.0284  -0.0013 346 PHE C CA  
1656 C C   . PHE B 102 ? 0.2470 0.2414 0.2571 -0.0116 0.0301  -0.0026 346 PHE C C   
1657 O O   . PHE B 102 ? 0.2385 0.2327 0.2481 -0.0104 0.0286  -0.0025 346 PHE C O   
1658 C CB  . PHE B 102 ? 0.2371 0.2330 0.2395 -0.0173 0.0308  -0.0023 346 PHE C CB  
1659 C CG  . PHE B 102 ? 0.2518 0.2466 0.2507 -0.0184 0.0320  -0.0041 346 PHE C CG  
1660 C CD1 . PHE B 102 ? 0.2702 0.2635 0.2697 -0.0189 0.0359  -0.0068 346 PHE C CD1 
1661 C CD2 . PHE B 102 ? 0.2678 0.2629 0.2636 -0.0189 0.0293  -0.0032 346 PHE C CD2 
1662 C CE1 . PHE B 102 ? 0.2889 0.2812 0.2861 -0.0199 0.0370  -0.0086 346 PHE C CE1 
1663 C CE2 . PHE B 102 ? 0.2665 0.2607 0.2596 -0.0200 0.0304  -0.0048 346 PHE C CE2 
1664 C CZ  . PHE B 102 ? 0.2854 0.2781 0.2792 -0.0205 0.0341  -0.0076 346 PHE C CZ  
1665 N N   . LYS B 103 ? 0.2382 0.2319 0.2515 -0.0113 0.0332  -0.0037 347 LYS C N   
1666 C CA  . LYS B 103 ? 0.2653 0.2579 0.2822 -0.0094 0.0350  -0.0045 347 LYS C CA  
1667 C C   . LYS B 103 ? 0.2412 0.2350 0.2611 -0.0063 0.0318  -0.0028 347 LYS C C   
1668 O O   . LYS B 103 ? 0.2120 0.2057 0.2326 -0.0050 0.0317  -0.0026 347 LYS C O   
1669 C CB  . LYS B 103 ? 0.3432 0.3353 0.3650 -0.0089 0.0383  -0.0052 347 LYS C CB  
1670 C CG  . LYS B 103 ? 0.4699 0.4607 0.4907 -0.0115 0.0429  -0.0078 347 LYS C CG  
1671 C CD  . LYS B 103 ? 0.5571 0.5477 0.5833 -0.0109 0.0458  -0.0082 347 LYS C CD  
1672 C CE  . LYS B 103 ? 0.6342 0.6234 0.6613 -0.0129 0.0509  -0.0113 347 LYS C CE  
1673 N NZ  . LYS B 103 ? 0.6829 0.6729 0.7047 -0.0163 0.0527  -0.0129 347 LYS C NZ  
1674 N N   . ASP B 104 ? 0.2285 0.2239 0.2506 -0.0051 0.0295  -0.0016 348 ASP C N   
1675 C CA  . ASP B 104 ? 0.2270 0.2244 0.2520 -0.0023 0.0266  -0.0004 348 ASP C CA  
1676 C C   . ASP B 104 ? 0.2152 0.2133 0.2368 -0.0020 0.0238  -0.0001 348 ASP C C   
1677 O O   . ASP B 104 ? 0.2031 0.2026 0.2259 -0.0001 0.0225  0.0003  348 ASP C O   
1678 C CB  . ASP B 104 ? 0.2551 0.2541 0.2834 -0.0015 0.0249  0.0001  348 ASP C CB  
1679 C CG  . ASP B 104 ? 0.2846 0.2835 0.3177 -0.0010 0.0272  0.0001  348 ASP C CG  
1680 O OD1 . ASP B 104 ? 0.3407 0.3404 0.3761 -0.0011 0.0265  0.0004  348 ASP C OD1 
1681 O OD2 . ASP B 104 ? 0.3329 0.3312 0.3682 -0.0004 0.0296  0.0000  348 ASP C OD2 
1682 N N   . GLN B 105 ? 0.1993 0.1967 0.2170 -0.0041 0.0230  -0.0002 349 GLN C N   
1683 C CA  . GLN B 105 ? 0.1968 0.1945 0.2115 -0.0042 0.0207  0.0000  349 GLN C CA  
1684 C C   . GLN B 105 ? 0.1905 0.1874 0.2039 -0.0039 0.0222  -0.0003 349 GLN C C   
1685 O O   . GLN B 105 ? 0.1873 0.1852 0.2006 -0.0024 0.0204  0.0001  349 GLN C O   
1686 C CB  . GLN B 105 ? 0.2016 0.1989 0.2127 -0.0068 0.0200  0.0003  349 GLN C CB  
1687 C CG  . GLN B 105 ? 0.2031 0.2016 0.2165 -0.0070 0.0180  0.0012  349 GLN C CG  
1688 C CD  . GLN B 105 ? 0.2036 0.2020 0.2141 -0.0099 0.0179  0.0023  349 GLN C CD  
1689 O OE1 . GLN B 105 ? 0.2187 0.2166 0.2249 -0.0120 0.0188  0.0022  349 GLN C OE1 
1690 N NE2 . GLN B 105 ? 0.1962 0.1956 0.2098 -0.0100 0.0165  0.0034  349 GLN C NE2 
1691 N N   . VAL B 106 ? 0.1803 0.1753 0.1927 -0.0055 0.0254  -0.0014 350 VAL C N   
1692 C CA  . VAL B 106 ? 0.1881 0.1818 0.1997 -0.0057 0.0271  -0.0020 350 VAL C CA  
1693 C C   . VAL B 106 ? 0.1752 0.1700 0.1916 -0.0028 0.0273  -0.0010 350 VAL C C   
1694 O O   . VAL B 106 ? 0.1878 0.1831 0.2042 -0.0017 0.0265  -0.0002 350 VAL C O   
1695 C CB  . VAL B 106 ? 0.2094 0.2012 0.2197 -0.0082 0.0308  -0.0040 350 VAL C CB  
1696 C CG1 . VAL B 106 ? 0.2172 0.2076 0.2290 -0.0080 0.0329  -0.0048 350 VAL C CG1 
1697 C CG2 . VAL B 106 ? 0.2105 0.2022 0.2153 -0.0114 0.0303  -0.0047 350 VAL C CG2 
1698 N N   . ILE B 107 ? 0.1662 0.1617 0.1867 -0.0015 0.0280  -0.0006 351 ILE C N   
1699 C CA  . ILE B 107 ? 0.1636 0.1609 0.1888 0.0010  0.0278  0.0009  351 ILE C CA  
1700 C C   . ILE B 107 ? 0.1545 0.1547 0.1787 0.0028  0.0242  0.0022  351 ILE C C   
1701 O O   . ILE B 107 ? 0.1493 0.1510 0.1749 0.0043  0.0240  0.0035  351 ILE C O   
1702 C CB  . ILE B 107 ? 0.1659 0.1639 0.1959 0.0019  0.0289  0.0013  351 ILE C CB  
1703 C CG1 . ILE B 107 ? 0.1820 0.1771 0.2140 0.0003  0.0332  0.0000  351 ILE C CG1 
1704 C CG2 . ILE B 107 ? 0.1641 0.1652 0.1987 0.0046  0.0275  0.0034  351 ILE C CG2 
1705 C CD1 . ILE B 107 ? 0.1900 0.1853 0.2262 0.0005  0.0348  -0.0001 351 ILE C CD1 
1706 N N   . LEU B 108 ? 0.1519 0.1532 0.1743 0.0027  0.0216  0.0018  352 LEU C N   
1707 C CA  . LEU B 108 ? 0.1558 0.1601 0.1778 0.0043  0.0184  0.0023  352 LEU C CA  
1708 C C   . LEU B 108 ? 0.1565 0.1607 0.1754 0.0041  0.0178  0.0025  352 LEU C C   
1709 O O   . LEU B 108 ? 0.1575 0.1643 0.1770 0.0059  0.0166  0.0034  352 LEU C O   
1710 C CB  . LEU B 108 ? 0.1611 0.1660 0.1828 0.0038  0.0162  0.0014  352 LEU C CB  
1711 C CG  . LEU B 108 ? 0.1722 0.1800 0.1936 0.0051  0.0130  0.0010  352 LEU C CG  
1712 C CD1 . LEU B 108 ? 0.1746 0.1863 0.1988 0.0073  0.0121  0.0015  352 LEU C CD1 
1713 C CD2 . LEU B 108 ? 0.1714 0.1791 0.1935 0.0042  0.0113  0.0000  352 LEU C CD2 
1714 N N   . LEU B 109 ? 0.1555 0.1570 0.1711 0.0020  0.0184  0.0017  353 LEU C N   
1715 C CA  . LEU B 109 ? 0.1773 0.1785 0.1902 0.0016  0.0179  0.0019  353 LEU C CA  
1716 C C   . LEU B 109 ? 0.1866 0.1876 0.2010 0.0025  0.0198  0.0028  353 LEU C C   
1717 O O   . LEU B 109 ? 0.1691 0.1721 0.1836 0.0040  0.0186  0.0039  353 LEU C O   
1718 C CB  . LEU B 109 ? 0.1823 0.1811 0.1915 -0.0010 0.0181  0.0011  353 LEU C CB  
1719 C CG  . LEU B 109 ? 0.1843 0.1837 0.1928 -0.0018 0.0157  0.0010  353 LEU C CG  
1720 C CD1 . LEU B 109 ? 0.1956 0.1932 0.2010 -0.0048 0.0163  0.0008  353 LEU C CD1 
1721 C CD2 . LEU B 109 ? 0.1867 0.1880 0.1951 -0.0005 0.0130  0.0013  353 LEU C CD2 
1722 N N   . ASN B 110 ? 0.2096 0.2087 0.2261 0.0019  0.0227  0.0026  354 ASN C N   
1723 C CA  . ASN B 110 ? 0.2207 0.2195 0.2401 0.0027  0.0247  0.0036  354 ASN C CA  
1724 C C   . ASN B 110 ? 0.1975 0.2000 0.2205 0.0055  0.0236  0.0060  354 ASN C C   
1725 O O   . ASN B 110 ? 0.1767 0.1803 0.2013 0.0065  0.0240  0.0076  354 ASN C O   
1726 C CB  . ASN B 110 ? 0.2504 0.2466 0.2728 0.0015  0.0284  0.0025  354 ASN C CB  
1727 C CG  . ASN B 110 ? 0.3023 0.2954 0.3212 -0.0012 0.0300  0.0002  354 ASN C CG  
1728 O OD1 . ASN B 110 ? 0.3312 0.3241 0.3472 -0.0019 0.0289  0.0002  354 ASN C OD1 
1729 N ND2 . ASN B 110 ? 0.3323 0.3235 0.3515 -0.0031 0.0326  -0.0017 354 ASN C ND2 
1730 N N   . LYS B 111 ? 0.1831 0.1880 0.2075 0.0066  0.0222  0.0063  355 LYS C N   
1731 C CA  . LYS B 111 ? 0.1963 0.2056 0.2236 0.0090  0.0208  0.0085  355 LYS C CA  
1732 C C   . LYS B 111 ? 0.1685 0.1807 0.1931 0.0100  0.0186  0.0092  355 LYS C C   
1733 O O   . LYS B 111 ? 0.1709 0.1868 0.1976 0.0117  0.0182  0.0116  355 LYS C O   
1734 C CB  . LYS B 111 ? 0.2321 0.2438 0.2606 0.0097  0.0191  0.0081  355 LYS C CB  
1735 C CG  . LYS B 111 ? 0.2903 0.3072 0.3219 0.0119  0.0177  0.0103  355 LYS C CG  
1736 C CD  . LYS B 111 ? 0.3591 0.3780 0.3932 0.0124  0.0165  0.0099  355 LYS C CD  
1737 C CE  . LYS B 111 ? 0.4062 0.4248 0.4376 0.0117  0.0145  0.0072  355 LYS C CE  
1738 N NZ  . LYS B 111 ? 0.4521 0.4719 0.4867 0.0119  0.0138  0.0068  355 LYS C NZ  
1739 N N   . HIS B 112 ? 0.1442 0.1554 0.1647 0.0089  0.0171  0.0074  356 HIS C N   
1740 C CA  . HIS B 112 ? 0.1362 0.1502 0.1544 0.0098  0.0150  0.0077  356 HIS C CA  
1741 C C   . HIS B 112 ? 0.1323 0.1444 0.1489 0.0091  0.0160  0.0083  356 HIS C C   
1742 O O   . HIS B 112 ? 0.1461 0.1611 0.1623 0.0103  0.0152  0.0096  356 HIS C O   
1743 C CB  . HIS B 112 ? 0.1295 0.1438 0.1454 0.0093  0.0127  0.0055  356 HIS C CB  
1744 C CG  . HIS B 112 ? 0.1216 0.1388 0.1396 0.0103  0.0114  0.0049  356 HIS C CG  
1745 N ND1 . HIS B 112 ? 0.1171 0.1396 0.1362 0.0121  0.0100  0.0056  356 HIS C ND1 
1746 C CD2 . HIS B 112 ? 0.1192 0.1351 0.1386 0.0096  0.0113  0.0038  356 HIS C CD2 
1747 C CE1 . HIS B 112 ? 0.1181 0.1424 0.1391 0.0125  0.0089  0.0046  356 HIS C CE1 
1748 N NE2 . HIS B 112 ? 0.1240 0.1442 0.1455 0.0111  0.0097  0.0036  356 HIS C NE2 
1749 N N   . ILE B 113 ? 0.1352 0.1429 0.1511 0.0071  0.0179  0.0074  357 ILE C N   
1750 C CA  . ILE B 113 ? 0.1337 0.1395 0.1485 0.0062  0.0188  0.0076  357 ILE C CA  
1751 C C   . ILE B 113 ? 0.1381 0.1452 0.1567 0.0076  0.0204  0.0101  357 ILE C C   
1752 O O   . ILE B 113 ? 0.1347 0.1407 0.1571 0.0077  0.0226  0.0107  357 ILE C O   
1753 C CB  . ILE B 113 ? 0.1339 0.1352 0.1469 0.0035  0.0204  0.0057  357 ILE C CB  
1754 C CG1 . ILE B 113 ? 0.1364 0.1369 0.1458 0.0019  0.0187  0.0041  357 ILE C CG1 
1755 C CG2 . ILE B 113 ? 0.1334 0.1329 0.1461 0.0025  0.0216  0.0059  357 ILE C CG2 
1756 C CD1 . ILE B 113 ? 0.1380 0.1352 0.1454 -0.0009 0.0203  0.0025  357 ILE C CD1 
1757 N N   . ASP B 114 ? 0.1337 0.1434 0.1519 0.0088  0.0194  0.0117  358 ASP C N   
1758 C CA  . ASP B 114 ? 0.1342 0.1456 0.1563 0.0101  0.0208  0.0147  358 ASP C CA  
1759 C C   . ASP B 114 ? 0.1262 0.1414 0.1522 0.0120  0.0209  0.0171  358 ASP C C   
1760 O O   . ASP B 114 ? 0.1349 0.1509 0.1658 0.0128  0.0226  0.0199  358 ASP C O   
1761 C CB  . ASP B 114 ? 0.1399 0.1470 0.1645 0.0086  0.0236  0.0143  358 ASP C CB  
1762 C CG  . ASP B 114 ? 0.1482 0.1528 0.1700 0.0069  0.0234  0.0130  358 ASP C CG  
1763 O OD1 . ASP B 114 ? 0.1529 0.1595 0.1716 0.0073  0.0214  0.0133  358 ASP C OD1 
1764 O OD2 . ASP B 114 ? 0.1592 0.1600 0.1819 0.0051  0.0255  0.0115  358 ASP C OD2 
1765 N N   . ALA B 115 ? 0.1211 0.1390 0.1456 0.0127  0.0190  0.0163  359 ALA C N   
1766 C CA  . ALA B 115 ? 0.1289 0.1511 0.1569 0.0144  0.0187  0.0187  359 ALA C CA  
1767 C C   . ALA B 115 ? 0.1248 0.1527 0.1541 0.0161  0.0180  0.0223  359 ALA C C   
1768 O O   . ALA B 115 ? 0.1238 0.1548 0.1579 0.0173  0.0187  0.0258  359 ALA C O   
1769 C CB  . ALA B 115 ? 0.1331 0.1571 0.1591 0.0145  0.0167  0.0167  359 ALA C CB  
1770 N N   . TYR B 116 ? 0.1280 0.1572 0.1537 0.0161  0.0169  0.0218  360 TYR C N   
1771 C CA  . TYR B 116 ? 0.1333 0.1684 0.1592 0.0177  0.0162  0.0249  360 TYR C CA  
1772 C C   . TYR B 116 ? 0.1377 0.1731 0.1693 0.0183  0.0183  0.0293  360 TYR C C   
1773 O O   . TYR B 116 ? 0.1301 0.1713 0.1636 0.0197  0.0180  0.0332  360 TYR C O   
1774 C CB  . TYR B 116 ? 0.1401 0.1754 0.1616 0.0173  0.0151  0.0232  360 TYR C CB  
1775 C CG  . TYR B 116 ? 0.1434 0.1738 0.1657 0.0162  0.0169  0.0235  360 TYR C CG  
1776 C CD1 . TYR B 116 ? 0.1567 0.1889 0.1820 0.0170  0.0181  0.0272  360 TYR C CD1 
1777 C CD2 . TYR B 116 ? 0.1480 0.1722 0.1687 0.0143  0.0174  0.0204  360 TYR C CD2 
1778 C CE1 . TYR B 116 ? 0.1628 0.1905 0.1897 0.0159  0.0197  0.0272  360 TYR C CE1 
1779 C CE2 . TYR B 116 ? 0.1547 0.1748 0.1762 0.0131  0.0189  0.0204  360 TYR C CE2 
1780 C CZ  . TYR B 116 ? 0.1654 0.1870 0.1902 0.0139  0.0201  0.0236  360 TYR C CZ  
1781 O OH  . TYR B 116 ? 0.1689 0.1865 0.1950 0.0125  0.0216  0.0233  360 TYR C OH  
1782 N N   . LYS B 117 ? 0.1480 0.1773 0.1827 0.0171  0.0207  0.0286  361 LYS C N   
1783 C CA  . LYS B 117 ? 0.1590 0.1879 0.2003 0.0176  0.0230  0.0323  361 LYS C CA  
1784 C C   . LYS B 117 ? 0.1678 0.2013 0.2149 0.0191  0.0232  0.0365  361 LYS C C   
1785 O O   . LYS B 117 ? 0.1688 0.2048 0.2214 0.0201  0.0243  0.0410  361 LYS C O   
1786 C CB  . LYS B 117 ? 0.1812 0.2029 0.2250 0.0158  0.0256  0.0299  361 LYS C CB  
1787 C CG  . LYS B 117 ? 0.2129 0.2308 0.2523 0.0142  0.0256  0.0270  361 LYS C CG  
1788 C CD  . LYS B 117 ? 0.2545 0.2663 0.2969 0.0123  0.0283  0.0249  361 LYS C CD  
1789 C CE  . LYS B 117 ? 0.3011 0.3099 0.3386 0.0105  0.0277  0.0221  361 LYS C CE  
1790 N NZ  . LYS B 117 ? 0.3703 0.3740 0.4106 0.0085  0.0303  0.0199  361 LYS C NZ  
1791 N N   . THR B 118 ? 0.1743 0.2093 0.2203 0.0193  0.0220  0.0353  362 THR C N   
1792 C CA  . THR B 118 ? 0.1827 0.2212 0.2348 0.0205  0.0223  0.0389  362 THR C CA  
1793 C C   . THR B 118 ? 0.1729 0.2203 0.2235 0.0220  0.0196  0.0422  362 THR C C   
1794 O O   . THR B 118 ? 0.1792 0.2308 0.2346 0.0230  0.0193  0.0458  362 THR C O   
1795 C CB  . THR B 118 ? 0.1859 0.2209 0.2385 0.0197  0.0226  0.0359  362 THR C CB  
1796 O OG1 . THR B 118 ? 0.1772 0.2136 0.2232 0.0194  0.0201  0.0325  362 THR C OG1 
1797 C CG2 . THR B 118 ? 0.1909 0.2179 0.2449 0.0180  0.0255  0.0326  362 THR C CG2 
1798 N N   . PHE B 119 ? 0.1537 0.2045 0.1982 0.0222  0.0178  0.0412  363 PHE C N   
1799 C CA  . PHE B 119 ? 0.1641 0.2239 0.2064 0.0233  0.0154  0.0435  363 PHE C CA  
1800 C C   . PHE B 119 ? 0.1542 0.2176 0.1925 0.0237  0.0148  0.0443  363 PHE C C   
1801 O O   . PHE B 119 ? 0.1590 0.2176 0.1948 0.0229  0.0156  0.0418  363 PHE C O   
1802 C CB  . PHE B 119 ? 0.1719 0.2333 0.2097 0.0231  0.0131  0.0395  363 PHE C CB  
1803 C CG  . PHE B 119 ? 0.1595 0.2161 0.1914 0.0219  0.0124  0.0334  363 PHE C CG  
1804 C CD1 . PHE B 119 ? 0.1692 0.2192 0.2011 0.0207  0.0131  0.0298  363 PHE C CD1 
1805 C CD2 . PHE B 119 ? 0.1728 0.2320 0.1995 0.0219  0.0112  0.0316  363 PHE C CD2 
1806 C CE1 . PHE B 119 ? 0.1616 0.2077 0.1888 0.0196  0.0123  0.0250  363 PHE C CE1 
1807 C CE2 . PHE B 119 ? 0.1668 0.2218 0.1893 0.0209  0.0106  0.0265  363 PHE C CE2 
1808 C CZ  . PHE B 119 ? 0.1610 0.2095 0.1839 0.0197  0.0111  0.0235  363 PHE C CZ  
1809 N N   . PRO B 120 ? 0.1526 0.2252 0.1902 0.0248  0.0133  0.0479  364 PRO C N   
1810 C CA  . PRO B 120 ? 0.1455 0.2221 0.1786 0.0250  0.0128  0.0479  364 PRO C CA  
1811 C C   . PRO B 120 ? 0.1363 0.2117 0.1623 0.0243  0.0113  0.0414  364 PRO C C   
1812 O O   . PRO B 120 ? 0.1648 0.2368 0.1900 0.0240  0.0125  0.0411  364 PRO C O   
1813 C CB  . PRO B 120 ? 0.1480 0.2357 0.1820 0.0262  0.0115  0.0533  364 PRO C CB  
1814 C CG  . PRO B 120 ? 0.1545 0.2429 0.1952 0.0266  0.0118  0.0572  364 PRO C CG  
1815 C CD  . PRO B 120 ? 0.1530 0.2331 0.1938 0.0257  0.0121  0.0521  364 PRO C CD  
1816 N N   . GLU C 9   ? 0.7556 0.8549 0.8527 0.0187  0.0192  0.1169  253 GLU B N   
1817 C CA  . GLU C 9   ? 0.8098 0.8991 0.9111 0.0217  0.0223  0.1149  253 GLU B CA  
1818 C C   . GLU C 9   ? 0.7618 0.8412 0.8558 0.0200  0.0222  0.1048  253 GLU B C   
1819 O O   . GLU C 9   ? 0.6519 0.7304 0.7431 0.0198  0.0217  0.1011  253 GLU B O   
1820 C CB  . GLU C 9   ? 0.8441 0.9270 0.9543 0.0249  0.0260  0.1198  253 GLU B CB  
1821 C CG  . GLU C 9   ? 0.8995 0.9777 1.0171 0.0289  0.0293  0.1214  253 GLU B CG  
1822 C CD  . GLU C 9   ? 0.9122 1.0021 1.0330 0.0303  0.0282  0.1270  253 GLU B CD  
1823 O OE1 . GLU C 9   ? 0.9117 1.0127 1.0359 0.0307  0.0269  0.1350  253 GLU B OE1 
1824 O OE2 . GLU C 9   ? 0.9576 1.0462 1.0774 0.0309  0.0286  0.1232  253 GLU B OE2 
1825 N N   . ALA C 10  ? 0.7731 0.8456 0.8639 0.0187  0.0224  0.1008  254 ALA B N   
1826 C CA  . ALA C 10  ? 0.7205 0.7847 0.8041 0.0170  0.0218  0.0917  254 ALA B CA  
1827 C C   . ALA C 10  ? 0.6715 0.7419 0.7468 0.0141  0.0180  0.0881  254 ALA B C   
1828 O O   . ALA C 10  ? 0.6724 0.7372 0.7418 0.0130  0.0172  0.0813  254 ALA B O   
1829 C CB  . ALA C 10  ? 0.6870 0.7446 0.7698 0.0162  0.0228  0.0891  254 ALA B CB  
1830 N N   . SER C 11  ? 0.6551 0.7371 0.7302 0.0128  0.0158  0.0928  255 SER B N   
1831 C CA  . SER C 11  ? 0.6508 0.7398 0.7185 0.0097  0.0125  0.0898  255 SER B CA  
1832 C C   . SER C 11  ? 0.6065 0.7002 0.6729 0.0092  0.0115  0.0899  255 SER B C   
1833 O O   . SER C 11  ? 0.5938 0.6921 0.6537 0.0065  0.0090  0.0867  255 SER B O   
1834 C CB  . SER C 11  ? 0.6889 0.7890 0.7570 0.0081  0.0108  0.0946  255 SER B CB  
1835 O OG  . SER C 11  ? 0.6961 0.8047 0.7714 0.0096  0.0116  0.1034  255 SER B OG  
1836 N N   . LYS C 12  ? 0.5695 0.6622 0.6420 0.0119  0.0137  0.0934  256 LYS B N   
1837 C CA  . LYS C 12  ? 0.5966 0.6950 0.6688 0.0115  0.0130  0.0943  256 LYS B CA  
1838 C C   . LYS C 12  ? 0.5290 0.6180 0.5964 0.0110  0.0133  0.0871  256 LYS B C   
1839 O O   . LYS C 12  ? 0.5168 0.6095 0.5819 0.0097  0.0124  0.0861  256 LYS B O   
1840 C CB  . LYS C 12  ? 0.6510 0.7548 0.7328 0.0148  0.0151  0.1025  256 LYS B CB  
1841 C CG  . LYS C 12  ? 0.7282 0.8455 0.8131 0.0142  0.0136  0.1102  256 LYS B CG  
1842 C CD  . LYS C 12  ? 0.7743 0.8919 0.8683 0.0176  0.0159  0.1178  256 LYS B CD  
1843 C CE  . LYS C 12  ? 0.8217 0.9365 0.9241 0.0218  0.0189  0.1216  256 LYS B CE  
1844 N NZ  . LYS C 12  ? 0.8562 0.9827 0.9605 0.0220  0.0179  0.1255  256 LYS B NZ  
1845 N N   . LYS C 13  ? 0.4538 0.5313 0.5196 0.0117  0.0146  0.0820  257 LYS B N   
1846 C CA  . LYS C 13  ? 0.4204 0.4894 0.4814 0.0110  0.0147  0.0754  257 LYS B CA  
1847 C C   . LYS C 13  ? 0.3573 0.4278 0.4091 0.0076  0.0115  0.0706  257 LYS B C   
1848 O O   . LYS C 13  ? 0.3397 0.4143 0.3886 0.0060  0.0096  0.0705  257 LYS B O   
1849 C CB  . LYS C 13  ? 0.4566 0.5141 0.5183 0.0124  0.0169  0.0715  257 LYS B CB  
1850 C CG  . LYS C 13  ? 0.4962 0.5515 0.5668 0.0154  0.0203  0.0759  257 LYS B CG  
1851 C CD  . LYS C 13  ? 0.5037 0.5478 0.5758 0.0166  0.0232  0.0716  257 LYS B CD  
1852 C CE  . LYS C 13  ? 0.5707 0.6135 0.6450 0.0177  0.0248  0.0708  257 LYS B CE  
1853 N NZ  . LYS C 13  ? 0.5968 0.6302 0.6680 0.0172  0.0262  0.0641  257 LYS B NZ  
1854 N N   . PRO C 14  ? 0.2969 0.3641 0.3440 0.0063  0.0109  0.0665  258 PRO B N   
1855 C CA  . PRO C 14  ? 0.2679 0.3324 0.3062 0.0035  0.0083  0.0608  258 PRO B CA  
1856 C C   . PRO C 14  ? 0.2085 0.2658 0.2441 0.0039  0.0081  0.0569  258 PRO B C   
1857 O O   . PRO C 14  ? 0.1679 0.2192 0.2070 0.0059  0.0102  0.0566  258 PRO B O   
1858 C CB  . PRO C 14  ? 0.2823 0.3415 0.3173 0.0027  0.0085  0.0574  258 PRO B CB  
1859 C CG  . PRO C 14  ? 0.3132 0.3716 0.3556 0.0053  0.0115  0.0604  258 PRO B CG  
1860 C CD  . PRO C 14  ? 0.3176 0.3833 0.3677 0.0074  0.0126  0.0671  258 PRO B CD  
1861 N N   . ARG C 15  ? 0.2109 0.2695 0.2407 0.0020  0.0057  0.0539  259 ARG B N   
1862 C CA  . ARG C 15  ? 0.2183 0.2721 0.2457 0.0024  0.0053  0.0504  259 ARG B CA  
1863 C C   . ARG C 15  ? 0.1858 0.2290 0.2125 0.0038  0.0067  0.0466  259 ARG B C   
1864 O O   . ARG C 15  ? 0.1794 0.2194 0.2088 0.0052  0.0080  0.0464  259 ARG B O   
1865 C CB  . ARG C 15  ? 0.2433 0.2992 0.2638 0.0001  0.0026  0.0466  259 ARG B CB  
1866 C CG  . ARG C 15  ? 0.2736 0.3284 0.2922 0.0004  0.0018  0.0439  259 ARG B CG  
1867 C CD  . ARG C 15  ? 0.3360 0.3956 0.3492 -0.0019 -0.0004 0.0412  259 ARG B CD  
1868 N NE  . ARG C 15  ? 0.4249 0.4836 0.4358 -0.0015 -0.0012 0.0378  259 ARG B NE  
1869 C CZ  . ARG C 15  ? 0.4858 0.5373 0.4915 -0.0011 -0.0022 0.0320  259 ARG B CZ  
1870 N NH1 . ARG C 15  ? 0.3516 0.4018 0.3565 -0.0001 -0.0025 0.0294  259 ARG B NH1 
1871 N NH2 . ARG C 15  ? 0.5273 0.5727 0.5289 -0.0015 -0.0029 0.0292  259 ARG B NH2 
1872 N N   . GLN C 16  ? 0.1675 0.2058 0.1909 0.0032  0.0065  0.0437  260 GLN B N   
1873 C CA  . GLN C 16  ? 0.1596 0.1886 0.1811 0.0041  0.0074  0.0395  260 GLN B CA  
1874 C C   . GLN C 16  ? 0.1655 0.1918 0.1935 0.0060  0.0106  0.0413  260 GLN B C   
1875 O O   . GLN C 16  ? 0.1642 0.1838 0.1914 0.0065  0.0117  0.0379  260 GLN B O   
1876 C CB  . GLN C 16  ? 0.1549 0.1798 0.1709 0.0027  0.0063  0.0364  260 GLN B CB  
1877 C CG  . GLN C 16  ? 0.1515 0.1789 0.1702 0.0023  0.0075  0.0390  260 GLN B CG  
1878 C CD  . GLN C 16  ? 0.1428 0.1786 0.1612 0.0006  0.0062  0.0420  260 GLN B CD  
1879 O OE1 . GLN C 16  ? 0.1502 0.1912 0.1676 -0.0002 0.0047  0.0430  260 GLN B OE1 
1880 N NE2 . GLN C 16  ? 0.1429 0.1804 0.1618 -0.0002 0.0068  0.0431  260 GLN B NE2 
1881 N N   . LYS C 17  ? 0.1579 0.1895 0.1926 0.0070  0.0122  0.0466  261 LYS B N   
1882 C CA  . LYS C 17  ? 0.1755 0.2042 0.2170 0.0090  0.0156  0.0484  261 LYS B CA  
1883 C C   . LYS C 17  ? 0.1865 0.2171 0.2334 0.0103  0.0169  0.0518  261 LYS B C   
1884 O O   . LYS C 17  ? 0.2066 0.2343 0.2597 0.0119  0.0199  0.0536  261 LYS B O   
1885 C CB  . LYS C 17  ? 0.1722 0.2044 0.2189 0.0100  0.0173  0.0522  261 LYS B CB  
1886 C CG  . LYS C 17  ? 0.1878 0.2182 0.2302 0.0087  0.0166  0.0492  261 LYS B CG  
1887 C CD  . LYS C 17  ? 0.1814 0.2030 0.2203 0.0083  0.0174  0.0435  261 LYS B CD  
1888 C CE  . LYS C 17  ? 0.1813 0.2022 0.2180 0.0072  0.0175  0.0420  261 LYS B CE  
1889 N NZ  . LYS C 17  ? 0.1764 0.1898 0.2090 0.0064  0.0180  0.0367  261 LYS B NZ  
1890 N N   . ARG C 18  ? 0.1943 0.2292 0.2388 0.0093  0.0148  0.0526  262 ARG B N   
1891 C CA  . ARG C 18  ? 0.1932 0.2304 0.2427 0.0101  0.0159  0.0562  262 ARG B CA  
1892 C C   . ARG C 18  ? 0.2027 0.2322 0.2524 0.0104  0.0177  0.0525  262 ARG B C   
1893 O O   . ARG C 18  ? 0.1968 0.2213 0.2409 0.0096  0.0167  0.0469  262 ARG B O   
1894 C CB  . ARG C 18  ? 0.1984 0.2432 0.2449 0.0086  0.0132  0.0576  262 ARG B CB  
1895 C CG  . ARG C 18  ? 0.2163 0.2704 0.2636 0.0080  0.0119  0.0620  262 ARG B CG  
1896 C CD  . ARG C 18  ? 0.2370 0.2983 0.2800 0.0059  0.0091  0.0617  262 ARG B CD  
1897 N NE  . ARG C 18  ? 0.2558 0.3266 0.2994 0.0048  0.0079  0.0657  262 ARG B NE  
1898 C CZ  . ARG C 18  ? 0.2706 0.3494 0.3104 0.0024  0.0055  0.0655  262 ARG B CZ  
1899 N NH1 . ARG C 18  ? 0.2694 0.3484 0.3049 0.0012  0.0041  0.0621  262 ARG B NH1 
1900 N NH2 . ARG C 18  ? 0.2755 0.3626 0.3157 0.0012  0.0047  0.0687  262 ARG B NH2 
1901 N N   . THR C 19  ? 0.2114 0.2402 0.2673 0.0115  0.0201  0.0560  263 THR B N   
1902 C CA  . THR C 19  ? 0.2348 0.2576 0.2912 0.0112  0.0218  0.0530  263 THR B CA  
1903 C C   . THR C 19  ? 0.2319 0.2596 0.2898 0.0106  0.0212  0.0564  263 THR B C   
1904 O O   . THR C 19  ? 0.2195 0.2511 0.2833 0.0115  0.0223  0.0626  263 THR B O   
1905 C CB  . THR C 19  ? 0.2672 0.2837 0.3301 0.0127  0.0259  0.0536  263 THR B CB  
1906 O OG1 . THR C 19  ? 0.3141 0.3275 0.3751 0.0129  0.0262  0.0505  263 THR B OG1 
1907 C CG2 . THR C 19  ? 0.2727 0.2827 0.3358 0.0118  0.0280  0.0498  263 THR B CG2 
1908 N N   . ALA C 20  ? 0.2153 0.2433 0.2680 0.0091  0.0194  0.0524  264 ALA B N   
1909 C CA  . ALA C 20  ? 0.2119 0.2448 0.2655 0.0081  0.0188  0.0549  264 ALA B CA  
1910 C C   . ALA C 20  ? 0.2232 0.2508 0.2820 0.0082  0.0222  0.0558  264 ALA B C   
1911 O O   . ALA C 20  ? 0.1923 0.2123 0.2507 0.0082  0.0241  0.0515  264 ALA B O   
1912 C CB  . ALA C 20  ? 0.2068 0.2424 0.2533 0.0066  0.0158  0.0501  264 ALA B CB  
1913 N N   . THR C 21  ? 0.2337 0.2654 0.2972 0.0081  0.0230  0.0618  265 THR B N   
1914 C CA  . THR C 21  ? 0.2454 0.2728 0.3136 0.0076  0.0261  0.0633  265 THR B CA  
1915 C C   . THR C 21  ? 0.2476 0.2824 0.3156 0.0060  0.0247  0.0669  265 THR B C   
1916 O O   . THR C 21  ? 0.2127 0.2560 0.2776 0.0054  0.0216  0.0683  265 THR B O   
1917 C CB  . THR C 21  ? 0.2528 0.2761 0.3292 0.0097  0.0296  0.0685  265 THR B CB  
1918 O OG1 . THR C 21  ? 0.2394 0.2713 0.3185 0.0106  0.0281  0.0757  265 THR B OG1 
1919 C CG2 . THR C 21  ? 0.2594 0.2767 0.3364 0.0113  0.0311  0.0653  265 THR B CG2 
1920 N N   . LYS C 22  ? 0.2889 0.3206 0.3607 0.0050  0.0272  0.0687  266 LYS B N   
1921 C CA  . LYS C 22  ? 0.3269 0.3657 0.4000 0.0035  0.0264  0.0736  266 LYS B CA  
1922 C C   . LYS C 22  ? 0.2990 0.3465 0.3750 0.0045  0.0250  0.0813  266 LYS B C   
1923 O O   . LYS C 22  ? 0.2509 0.3078 0.3245 0.0029  0.0225  0.0834  266 LYS B O   
1924 C CB  . LYS C 22  ? 0.3893 0.4222 0.4679 0.0026  0.0300  0.0762  266 LYS B CB  
1925 C CG  . LYS C 22  ? 0.4626 0.4913 0.5376 0.0002  0.0308  0.0694  266 LYS B CG  
1926 C CD  . LYS C 22  ? 0.5246 0.5462 0.6045 -0.0011 0.0348  0.0707  266 LYS B CD  
1927 C CE  . LYS C 22  ? 0.5473 0.5579 0.6305 0.0000  0.0384  0.0676  266 LYS B CE  
1928 N NZ  . LYS C 22  ? 0.5555 0.5600 0.6392 -0.0028 0.0413  0.0640  266 LYS B NZ  
1929 N N   . ALA C 23  ? 0.3184 0.3634 0.3996 0.0070  0.0266  0.0853  267 ALA B N   
1930 C CA  . ALA C 23  ? 0.3391 0.3925 0.4243 0.0082  0.0257  0.0935  267 ALA B CA  
1931 C C   . ALA C 23  ? 0.3135 0.3753 0.3933 0.0079  0.0221  0.0918  267 ALA B C   
1932 O O   . ALA C 23  ? 0.3112 0.3829 0.3922 0.0078  0.0204  0.0977  267 ALA B O   
1933 C CB  . ALA C 23  ? 0.3528 0.4005 0.4458 0.0113  0.0290  0.0981  267 ALA B CB  
1934 N N   . TYR C 24  ? 0.2753 0.3329 0.3491 0.0076  0.0209  0.0840  268 TYR B N   
1935 C CA  . TYR C 24  ? 0.2383 0.3017 0.3068 0.0072  0.0179  0.0817  268 TYR B CA  
1936 C C   . TYR C 24  ? 0.2239 0.2829 0.2850 0.0060  0.0164  0.0728  268 TYR B C   
1937 O O   . TYR C 24  ? 0.2080 0.2590 0.2678 0.0070  0.0174  0.0682  268 TYR B O   
1938 C CB  . TYR C 24  ? 0.2360 0.2975 0.3077 0.0094  0.0189  0.0836  268 TYR B CB  
1939 C CG  . TYR C 24  ? 0.2323 0.2995 0.2991 0.0088  0.0161  0.0816  268 TYR B CG  
1940 C CD1 . TYR C 24  ? 0.2311 0.3097 0.2957 0.0071  0.0134  0.0845  268 TYR B CD1 
1941 C CD2 . TYR C 24  ? 0.2359 0.2969 0.2999 0.0095  0.0162  0.0766  268 TYR B CD2 
1942 C CE1 . TYR C 24  ? 0.2425 0.3258 0.3026 0.0061  0.0111  0.0823  268 TYR B CE1 
1943 C CE2 . TYR C 24  ? 0.2380 0.3035 0.2976 0.0087  0.0139  0.0750  268 TYR B CE2 
1944 C CZ  . TYR C 24  ? 0.2568 0.3332 0.3144 0.0069  0.0114  0.0776  268 TYR B CZ  
1945 O OH  . TYR C 24  ? 0.2800 0.3602 0.3330 0.0056  0.0093  0.0754  268 TYR B OH  
1946 N N   . ASN C 25  ? 0.2052 0.2698 0.2619 0.0040  0.0143  0.0706  269 ASN B N   
1947 C CA  . ASN C 25  ? 0.2038 0.2639 0.2552 0.0032  0.0137  0.0632  269 ASN B CA  
1948 C C   . ASN C 25  ? 0.1922 0.2523 0.2371 0.0031  0.0111  0.0576  269 ASN B C   
1949 O O   . ASN C 25  ? 0.1788 0.2416 0.2233 0.0035  0.0102  0.0592  269 ASN B O   
1950 C CB  . ASN C 25  ? 0.2140 0.2794 0.2649 0.0012  0.0132  0.0637  269 ASN B CB  
1951 C CG  . ASN C 25  ? 0.2157 0.2923 0.2632 -0.0002 0.0103  0.0646  269 ASN B CG  
1952 O OD1 . ASN C 25  ? 0.2188 0.2979 0.2622 -0.0003 0.0082  0.0618  269 ASN B OD1 
1953 N ND2 . ASN C 25  ? 0.2428 0.3265 0.2921 -0.0019 0.0103  0.0683  269 ASN B ND2 
1954 N N   . VAL C 26  ? 0.1782 0.2349 0.2181 0.0027  0.0102  0.0510  270 VAL B N   
1955 C CA  . VAL C 26  ? 0.1871 0.2411 0.2212 0.0032  0.0083  0.0456  270 VAL B CA  
1956 C C   . VAL C 26  ? 0.1952 0.2577 0.2260 0.0020  0.0057  0.0460  270 VAL B C   
1957 O O   . VAL C 26  ? 0.1830 0.2448 0.2111 0.0022  0.0045  0.0447  270 VAL B O   
1958 C CB  . VAL C 26  ? 0.1913 0.2401 0.2214 0.0033  0.0079  0.0390  270 VAL B CB  
1959 C CG1 . VAL C 26  ? 0.1835 0.2313 0.2071 0.0037  0.0054  0.0337  270 VAL B CG1 
1960 C CG2 . VAL C 26  ? 0.1958 0.2359 0.2283 0.0042  0.0105  0.0378  270 VAL B CG2 
1961 N N   . THR C 27  ? 0.1956 0.2666 0.2269 0.0006  0.0049  0.0481  271 THR B N   
1962 C CA  . THR C 27  ? 0.2129 0.2933 0.2414 -0.0009 0.0027  0.0485  271 THR B CA  
1963 C C   . THR C 27  ? 0.2214 0.3061 0.2529 -0.0011 0.0029  0.0542  271 THR B C   
1964 O O   . THR C 27  ? 0.2135 0.3009 0.2419 -0.0018 0.0014  0.0527  271 THR B O   
1965 C CB  . THR C 27  ? 0.2191 0.3087 0.2481 -0.0027 0.0022  0.0500  271 THR B CB  
1966 O OG1 . THR C 27  ? 0.2259 0.3122 0.2526 -0.0025 0.0022  0.0449  271 THR B OG1 
1967 C CG2 . THR C 27  ? 0.2450 0.3440 0.2701 -0.0046 0.0000  0.0485  271 THR B CG2 
1968 N N   . GLN C 28  ? 0.2357 0.3213 0.2736 -0.0004 0.0048  0.0608  272 GLN B N   
1969 C CA  . GLN C 28  ? 0.2499 0.3405 0.2913 -0.0002 0.0050  0.0667  272 GLN B CA  
1970 C C   . GLN C 28  ? 0.2412 0.3254 0.2811 0.0008  0.0051  0.0642  272 GLN B C   
1971 O O   . GLN C 28  ? 0.2330 0.3224 0.2720 0.0001  0.0040  0.0657  272 GLN B O   
1972 C CB  . GLN C 28  ? 0.2757 0.3667 0.3248 0.0008  0.0073  0.0742  272 GLN B CB  
1973 C CG  . GLN C 28  ? 0.2865 0.3829 0.3373 -0.0005 0.0074  0.0769  272 GLN B CG  
1974 C CD  . GLN C 28  ? 0.3056 0.4014 0.3640 0.0006  0.0099  0.0846  272 GLN B CD  
1975 O OE1 . GLN C 28  ? 0.2851 0.3722 0.3464 0.0016  0.0122  0.0841  272 GLN B OE1 
1976 N NE2 . GLN C 28  ? 0.3476 0.4529 0.4098 0.0004  0.0095  0.0921  272 GLN B NE2 
1977 N N   . ALA C 29  ? 0.2295 0.3028 0.2689 0.0024  0.0064  0.0602  273 ALA B N   
1978 C CA  . ALA C 29  ? 0.2257 0.2927 0.2643 0.0034  0.0068  0.0583  273 ALA B CA  
1979 C C   . ALA C 29  ? 0.2124 0.2780 0.2436 0.0023  0.0045  0.0523  273 ALA B C   
1980 O O   . ALA C 29  ? 0.2071 0.2728 0.2370 0.0020  0.0040  0.0524  273 ALA B O   
1981 C CB  . ALA C 29  ? 0.2365 0.2933 0.2777 0.0052  0.0093  0.0566  273 ALA B CB  
1982 N N   . PHE C 30  ? 0.1977 0.2616 0.2242 0.0018  0.0032  0.0471  274 PHE B N   
1983 C CA  . PHE C 30  ? 0.1954 0.2547 0.2153 0.0015  0.0015  0.0409  274 PHE B CA  
1984 C C   . PHE C 30  ? 0.1994 0.2642 0.2148 0.0000  -0.0005 0.0377  274 PHE B C   
1985 O O   . PHE C 30  ? 0.2065 0.2671 0.2167 0.0000  -0.0018 0.0324  274 PHE B O   
1986 C CB  . PHE C 30  ? 0.1908 0.2403 0.2097 0.0031  0.0024  0.0369  274 PHE B CB  
1987 C CG  . PHE C 30  ? 0.1728 0.2168 0.1962 0.0043  0.0048  0.0392  274 PHE B CG  
1988 C CD1 . PHE C 30  ? 0.1761 0.2189 0.2000 0.0044  0.0052  0.0408  274 PHE B CD1 
1989 C CD2 . PHE C 30  ? 0.1771 0.2174 0.2041 0.0052  0.0070  0.0397  274 PHE B CD2 
1990 C CE1 . PHE C 30  ? 0.1674 0.2057 0.1957 0.0056  0.0076  0.0426  274 PHE B CE1 
1991 C CE2 . PHE C 30  ? 0.1727 0.2077 0.2038 0.0062  0.0095  0.0411  274 PHE B CE2 
1992 C CZ  . PHE C 30  ? 0.1748 0.2091 0.2068 0.0066  0.0098  0.0427  274 PHE B CZ  
1993 N N   . GLY C 31  ? 0.2071 0.2813 0.2247 -0.0011 -0.0007 0.0410  275 GLY B N   
1994 C CA  . GLY C 31  ? 0.2161 0.2969 0.2299 -0.0028 -0.0024 0.0380  275 GLY B CA  
1995 C C   . GLY C 31  ? 0.2275 0.3064 0.2402 -0.0020 -0.0025 0.0343  275 GLY B C   
1996 O O   . GLY C 31  ? 0.2108 0.2824 0.2246 -0.0003 -0.0014 0.0331  275 GLY B O   
1997 N N   . ARG C 32  ? 0.2322 0.3185 0.2425 -0.0034 -0.0037 0.0321  276 ARG B N   
1998 C CA  . ARG C 32  ? 0.2558 0.3417 0.2650 -0.0027 -0.0038 0.0284  276 ARG B CA  
1999 C C   . ARG C 32  ? 0.2221 0.2985 0.2270 -0.0007 -0.0045 0.0220  276 ARG B C   
2000 O O   . ARG C 32  ? 0.2201 0.2920 0.2219 -0.0005 -0.0053 0.0198  276 ARG B O   
2001 C CB  . ARG C 32  ? 0.3080 0.4050 0.3161 -0.0048 -0.0048 0.0276  276 ARG B CB  
2002 C CG  . ARG C 32  ? 0.3733 0.4722 0.3761 -0.0054 -0.0064 0.0215  276 ARG B CG  
2003 C CD  . ARG C 32  ? 0.4097 0.5170 0.4115 -0.0063 -0.0069 0.0185  276 ARG B CD  
2004 N NE  . ARG C 32  ? 0.3813 0.5005 0.3862 -0.0090 -0.0066 0.0237  276 ARG B NE  
2005 C CZ  . ARG C 32  ? 0.4081 0.5320 0.4159 -0.0094 -0.0059 0.0262  276 ARG B CZ  
2006 N NH1 . ARG C 32  ? 0.4190 0.5531 0.4296 -0.0119 -0.0056 0.0320  276 ARG B NH1 
2007 N NH2 . ARG C 32  ? 0.4462 0.5650 0.4539 -0.0077 -0.0054 0.0233  276 ARG B NH2 
2008 N N   . ARG C 33  ? 0.1937 0.2675 0.1988 0.0006  -0.0042 0.0195  277 ARG B N   
2009 C CA  . ARG C 33  ? 0.2051 0.2716 0.2064 0.0026  -0.0050 0.0137  277 ARG B CA  
2010 C C   . ARG C 33  ? 0.2108 0.2810 0.2080 0.0026  -0.0066 0.0089  277 ARG B C   
2011 O O   . ARG C 33  ? 0.1985 0.2777 0.1962 0.0010  -0.0069 0.0091  277 ARG B O   
2012 C CB  . ARG C 33  ? 0.1934 0.2584 0.1964 0.0037  -0.0041 0.0127  277 ARG B CB  
2013 C CG  . ARG C 33  ? 0.1987 0.2553 0.2035 0.0048  -0.0027 0.0139  277 ARG B CG  
2014 C CD  . ARG C 33  ? 0.1860 0.2427 0.1956 0.0037  -0.0008 0.0197  277 ARG B CD  
2015 N NE  . ARG C 33  ? 0.1739 0.2305 0.1838 0.0031  -0.0009 0.0227  277 ARG B NE  
2016 C CZ  . ARG C 33  ? 0.1715 0.2212 0.1808 0.0039  -0.0006 0.0227  277 ARG B CZ  
2017 N NH1 . ARG C 33  ? 0.1706 0.2128 0.1783 0.0053  -0.0004 0.0194  277 ARG B NH1 
2018 N NH2 . ARG C 33  ? 0.1592 0.2106 0.1693 0.0031  -0.0007 0.0258  277 ARG B NH2 
2019 N N   . GLY C 34  ? 0.2389 0.3022 0.2321 0.0042  -0.0077 0.0045  278 GLY B N   
2020 C CA  . GLY C 34  ? 0.2505 0.3159 0.2401 0.0045  -0.0089 -0.0005 278 GLY B CA  
2021 C C   . GLY C 34  ? 0.2757 0.3314 0.2614 0.0067  -0.0099 -0.0047 278 GLY B C   
2022 O O   . GLY C 34  ? 0.2804 0.3282 0.2659 0.0079  -0.0097 -0.0037 278 GLY B O   
2023 N N   . PRO C 35  ? 0.3104 0.3667 0.2929 0.0073  -0.0108 -0.0095 279 PRO B N   
2024 C CA  . PRO C 35  ? 0.3269 0.3739 0.3059 0.0098  -0.0117 -0.0136 279 PRO B CA  
2025 C C   . PRO C 35  ? 0.3524 0.3926 0.3285 0.0086  -0.0120 -0.0135 279 PRO B C   
2026 O O   . PRO C 35  ? 0.3626 0.3936 0.3360 0.0106  -0.0126 -0.0155 279 PRO B O   
2027 C CB  . PRO C 35  ? 0.3233 0.3750 0.3010 0.0109  -0.0122 -0.0188 279 PRO B CB  
2028 C CG  . PRO C 35  ? 0.3331 0.3956 0.3120 0.0074  -0.0117 -0.0176 279 PRO B CG  
2029 C CD  . PRO C 35  ? 0.3254 0.3917 0.3080 0.0056  -0.0109 -0.0114 279 PRO B CD  
2030 N N   . GLU C 36  ? 0.3603 0.4053 0.3369 0.0052  -0.0115 -0.0109 280 GLU B N   
2031 C CA  . GLU C 36  ? 0.4215 0.4619 0.3952 0.0034  -0.0117 -0.0113 280 GLU B CA  
2032 C C   . GLU C 36  ? 0.4007 0.4325 0.3742 0.0041  -0.0116 -0.0084 280 GLU B C   
2033 O O   . GLU C 36  ? 0.3630 0.3954 0.3397 0.0048  -0.0110 -0.0049 280 GLU B O   
2034 C CB  . GLU C 36  ? 0.4893 0.5383 0.4638 -0.0006 -0.0113 -0.0087 280 GLU B CB  
2035 C CG  . GLU C 36  ? 0.5524 0.6125 0.5276 -0.0022 -0.0112 -0.0105 280 GLU B CG  
2036 C CD  . GLU C 36  ? 0.6420 0.7007 0.6136 -0.0018 -0.0116 -0.0172 280 GLU B CD  
2037 O OE1 . GLU C 36  ? 0.6565 0.7049 0.6250 -0.0002 -0.0120 -0.0206 280 GLU B OE1 
2038 O OE2 . GLU C 36  ? 0.7514 0.8198 0.7236 -0.0033 -0.0114 -0.0190 280 GLU B OE2 
2039 N N   . GLN C 37  ? 0.4110 0.4354 0.3809 0.0034  -0.0120 -0.0099 281 GLN B N   
2040 C CA  . GLN C 37  ? 0.4267 0.4426 0.3957 0.0039  -0.0120 -0.0078 281 GLN B CA  
2041 C C   . GLN C 37  ? 0.3724 0.3925 0.3448 0.0019  -0.0110 -0.0025 281 GLN B C   
2042 O O   . GLN C 37  ? 0.3131 0.3285 0.2865 0.0028  -0.0106 -0.0003 281 GLN B O   
2043 C CB  . GLN C 37  ? 0.4793 0.4869 0.4436 0.0030  -0.0126 -0.0102 281 GLN B CB  
2044 C CG  . GLN C 37  ? 0.5210 0.5204 0.4824 0.0062  -0.0136 -0.0143 281 GLN B CG  
2045 C CD  . GLN C 37  ? 0.5802 0.5750 0.5425 0.0095  -0.0139 -0.0131 281 GLN B CD  
2046 O OE1 . GLN C 37  ? 0.6352 0.6253 0.5972 0.0091  -0.0138 -0.0105 281 GLN B OE1 
2047 N NE2 . GLN C 37  ? 0.6105 0.6073 0.5740 0.0125  -0.0142 -0.0152 281 GLN B NE2 
2048 N N   . THR C 38  ? 0.3610 0.3903 0.3352 -0.0007 -0.0106 -0.0006 282 THR B N   
2049 C CA  . THR C 38  ? 0.3788 0.4130 0.3565 -0.0024 -0.0097 0.0046  282 THR B CA  
2050 C C   . THR C 38  ? 0.3285 0.3679 0.3113 -0.0011 -0.0088 0.0081  282 THR B C   
2051 O O   . THR C 38  ? 0.3378 0.3800 0.3244 -0.0017 -0.0078 0.0127  282 THR B O   
2052 C CB  . THR C 38  ? 0.4521 0.4946 0.4292 -0.0060 -0.0098 0.0055  282 THR B CB  
2053 O OG1 . THR C 38  ? 0.4827 0.5333 0.4607 -0.0064 -0.0100 0.0040  282 THR B OG1 
2054 C CG2 . THR C 38  ? 0.4671 0.5044 0.4391 -0.0080 -0.0105 0.0019  282 THR B CG2 
2055 N N   . GLN C 39  ? 0.2726 0.3137 0.2559 0.0004  -0.0090 0.0058  283 GLN B N   
2056 C CA  . GLN C 39  ? 0.2461 0.2918 0.2340 0.0013  -0.0080 0.0088  283 GLN B CA  
2057 C C   . GLN C 39  ? 0.2114 0.2497 0.2000 0.0038  -0.0075 0.0082  283 GLN B C   
2058 O O   . GLN C 39  ? 0.2206 0.2520 0.2059 0.0055  -0.0083 0.0045  283 GLN B O   
2059 C CB  . GLN C 39  ? 0.2614 0.3142 0.2494 0.0013  -0.0085 0.0066  283 GLN B CB  
2060 C CG  . GLN C 39  ? 0.2639 0.3257 0.2511 -0.0014 -0.0089 0.0066  283 GLN B CG  
2061 C CD  . GLN C 39  ? 0.2767 0.3454 0.2636 -0.0014 -0.0093 0.0037  283 GLN B CD  
2062 O OE1 . GLN C 39  ? 0.2587 0.3238 0.2428 0.0003  -0.0100 -0.0015 283 GLN B OE1 
2063 N NE2 . GLN C 39  ? 0.2646 0.3438 0.2547 -0.0033 -0.0089 0.0073  283 GLN B NE2 
2064 N N   . GLY C 40  ? 0.1772 0.2174 0.1705 0.0040  -0.0060 0.0119  284 GLY B N   
2065 C CA  . GLY C 40  ? 0.1595 0.1949 0.1541 0.0058  -0.0052 0.0112  284 GLY B CA  
2066 C C   . GLY C 40  ? 0.1546 0.1934 0.1489 0.0068  -0.0057 0.0084  284 GLY B C   
2067 O O   . GLY C 40  ? 0.1370 0.1835 0.1321 0.0057  -0.0060 0.0088  284 GLY B O   
2068 N N   . ASN C 41  ? 0.1433 0.1771 0.1363 0.0087  -0.0059 0.0054  285 ASN B N   
2069 C CA  . ASN C 41  ? 0.1450 0.1821 0.1375 0.0098  -0.0064 0.0024  285 ASN B CA  
2070 C C   . ASN C 41  ? 0.1415 0.1785 0.1372 0.0100  -0.0049 0.0034  285 ASN B C   
2071 O O   . ASN C 41  ? 0.1346 0.1742 0.1300 0.0109  -0.0052 0.0008  285 ASN B O   
2072 C CB  . ASN C 41  ? 0.1532 0.1860 0.1413 0.0121  -0.0081 -0.0022 285 ASN B CB  
2073 C CG  . ASN C 41  ? 0.1685 0.1935 0.1553 0.0135  -0.0081 -0.0029 285 ASN B CG  
2074 O OD1 . ASN C 41  ? 0.1628 0.1841 0.1509 0.0125  -0.0070 -0.0002 285 ASN B OD1 
2075 N ND2 . ASN C 41  ? 0.1780 0.2010 0.1626 0.0158  -0.0091 -0.0063 285 ASN B ND2 
2076 N N   . PHE C 42  ? 0.1348 0.1686 0.1333 0.0091  -0.0032 0.0066  286 PHE B N   
2077 C CA  . PHE C 42  ? 0.1327 0.1646 0.1337 0.0091  -0.0015 0.0067  286 PHE B CA  
2078 C C   . PHE C 42  ? 0.1301 0.1666 0.1361 0.0074  0.0004  0.0105  286 PHE B C   
2079 O O   . PHE C 42  ? 0.1257 0.1633 0.1344 0.0065  0.0012  0.0146  286 PHE B O   
2080 C CB  . PHE C 42  ? 0.1304 0.1550 0.1315 0.0093  -0.0005 0.0071  286 PHE B CB  
2081 C CG  . PHE C 42  ? 0.1270 0.1490 0.1297 0.0091  0.0012  0.0059  286 PHE B CG  
2082 C CD1 . PHE C 42  ? 0.1311 0.1506 0.1305 0.0103  0.0002  0.0021  286 PHE B CD1 
2083 C CD2 . PHE C 42  ? 0.1221 0.1439 0.1296 0.0078  0.0039  0.0086  286 PHE B CD2 
2084 C CE1 . PHE C 42  ? 0.1281 0.1459 0.1287 0.0096  0.0018  0.0008  286 PHE B CE1 
2085 C CE2 . PHE C 42  ? 0.1272 0.1463 0.1360 0.0071  0.0058  0.0070  286 PHE B CE2 
2086 C CZ  . PHE C 42  ? 0.1303 0.1479 0.1356 0.0079  0.0047  0.0029  286 PHE B CZ  
2087 N N   . GLY C 43  ? 0.1276 0.1667 0.1349 0.0071  0.0011  0.0092  287 GLY B N   
2088 C CA  . GLY C 43  ? 0.1347 0.1764 0.1467 0.0053  0.0033  0.0124  287 GLY B CA  
2089 C C   . GLY C 43  ? 0.1419 0.1916 0.1541 0.0044  0.0028  0.0119  287 GLY B C   
2090 O O   . GLY C 43  ? 0.1474 0.2026 0.1578 0.0045  0.0011  0.0117  287 GLY B O   
2091 N N   . ASP C 44  ? 0.1516 0.2021 0.1656 0.0033  0.0043  0.0113  288 ASP B N   
2092 C CA  . ASP C 44  ? 0.1678 0.2262 0.1830 0.0018  0.0043  0.0117  288 ASP B CA  
2093 C C   . ASP C 44  ? 0.1729 0.2340 0.1924 0.0000  0.0058  0.0178  288 ASP B C   
2094 O O   . ASP C 44  ? 0.1575 0.2145 0.1794 0.0002  0.0068  0.0214  288 ASP B O   
2095 C CB  . ASP C 44  ? 0.1739 0.2324 0.1892 0.0009  0.0054  0.0086  288 ASP B CB  
2096 C CG  . ASP C 44  ? 0.1924 0.2462 0.2117 -0.0009 0.0085  0.0109  288 ASP B CG  
2097 O OD1 . ASP C 44  ? 0.1795 0.2296 0.2021 -0.0012 0.0100  0.0152  288 ASP B OD1 
2098 O OD2 . ASP C 44  ? 0.2046 0.2587 0.2239 -0.0022 0.0096  0.0082  288 ASP B OD2 
2099 N N   . GLN C 45  ? 0.1886 0.2572 0.2094 -0.0019 0.0060  0.0192  289 GLN B N   
2100 C CA  . GLN C 45  ? 0.2049 0.2776 0.2295 -0.0035 0.0069  0.0255  289 GLN B CA  
2101 C C   . GLN C 45  ? 0.2216 0.2876 0.2513 -0.0042 0.0099  0.0298  289 GLN B C   
2102 O O   . GLN C 45  ? 0.2064 0.2725 0.2394 -0.0042 0.0107  0.0354  289 GLN B O   
2103 C CB  . GLN C 45  ? 0.2207 0.3031 0.2456 -0.0057 0.0065  0.0263  289 GLN B CB  
2104 C CG  . GLN C 45  ? 0.2342 0.3240 0.2547 -0.0051 0.0038  0.0220  289 GLN B CG  
2105 C CD  . GLN C 45  ? 0.2497 0.3495 0.2703 -0.0073 0.0036  0.0220  289 GLN B CD  
2106 O OE1 . GLN C 45  ? 0.2530 0.3560 0.2714 -0.0071 0.0029  0.0171  289 GLN B OE1 
2107 N NE2 . GLN C 45  ? 0.2313 0.3366 0.2549 -0.0096 0.0043  0.0279  289 GLN B NE2 
2108 N N   . GLU C 46  ? 0.2167 0.2770 0.2470 -0.0047 0.0118  0.0271  290 GLU B N   
2109 C CA  . GLU C 46  ? 0.2365 0.2897 0.2716 -0.0054 0.0150  0.0302  290 GLU B CA  
2110 C C   . GLU C 46  ? 0.2234 0.2699 0.2595 -0.0033 0.0155  0.0313  290 GLU B C   
2111 O O   . GLU C 46  ? 0.1979 0.2423 0.2385 -0.0030 0.0171  0.0367  290 GLU B O   
2112 C CB  . GLU C 46  ? 0.2725 0.3227 0.3072 -0.0069 0.0167  0.0259  290 GLU B CB  
2113 C CG  . GLU C 46  ? 0.3457 0.3887 0.3855 -0.0084 0.0206  0.0283  290 GLU B CG  
2114 C CD  . GLU C 46  ? 0.4120 0.4518 0.4512 -0.0104 0.0225  0.0235  290 GLU B CD  
2115 O OE1 . GLU C 46  ? 0.4386 0.4825 0.4734 -0.0106 0.0207  0.0183  290 GLU B OE1 
2116 O OE2 . GLU C 46  ? 0.4471 0.4802 0.4904 -0.0118 0.0261  0.0247  290 GLU B OE2 
2117 N N   . LEU C 47  ? 0.2030 0.2463 0.2349 -0.0017 0.0140  0.0264  291 LEU B N   
2118 C CA  . LEU C 47  ? 0.1967 0.2341 0.2290 0.0000  0.0143  0.0270  291 LEU B CA  
2119 C C   . LEU C 47  ? 0.1767 0.2182 0.2099 0.0007  0.0130  0.0317  291 LEU B C   
2120 O O   . LEU C 47  ? 0.1627 0.2013 0.1994 0.0014  0.0144  0.0355  291 LEU B O   
2121 C CB  . LEU C 47  ? 0.1981 0.2320 0.2254 0.0013  0.0127  0.0214  291 LEU B CB  
2122 C CG  . LEU C 47  ? 0.2045 0.2338 0.2311 0.0029  0.0124  0.0220  291 LEU B CG  
2123 C CD1 . LEU C 47  ? 0.2117 0.2351 0.2434 0.0027  0.0157  0.0247  291 LEU B CD1 
2124 C CD2 . LEU C 47  ? 0.2042 0.2304 0.2255 0.0039  0.0106  0.0167  291 LEU B CD2 
2125 N N   . ILE C 48  ? 0.1790 0.2279 0.2091 0.0005  0.0104  0.0313  292 ILE B N   
2126 C CA  . ILE C 48  ? 0.1889 0.2426 0.2197 0.0007  0.0092  0.0355  292 ILE B CA  
2127 C C   . ILE C 48  ? 0.2013 0.2568 0.2384 0.0000  0.0113  0.0426  292 ILE B C   
2128 O O   . ILE C 48  ? 0.1908 0.2468 0.2302 0.0007  0.0115  0.0468  292 ILE B O   
2129 C CB  . ILE C 48  ? 0.1959 0.2582 0.2229 0.0000  0.0065  0.0337  292 ILE B CB  
2130 C CG1 . ILE C 48  ? 0.1939 0.2537 0.2152 0.0014  0.0043  0.0277  292 ILE B CG1 
2131 C CG2 . ILE C 48  ? 0.1977 0.2675 0.2264 -0.0008 0.0058  0.0391  292 ILE B CG2 
2132 C CD1 . ILE C 48  ? 0.2102 0.2774 0.2278 0.0009  0.0021  0.0246  292 ILE B CD1 
2133 N N   . ARG C 49  ? 0.2130 0.2698 0.2528 -0.0014 0.0129  0.0441  293 ARG B N   
2134 C CA  . ARG C 49  ? 0.2415 0.3005 0.2871 -0.0022 0.0147  0.0514  293 ARG B CA  
2135 C C   . ARG C 49  ? 0.2331 0.2832 0.2840 -0.0010 0.0179  0.0539  293 ARG B C   
2136 O O   . ARG C 49  ? 0.2090 0.2601 0.2651 -0.0006 0.0192  0.0606  293 ARG B O   
2137 C CB  . ARG C 49  ? 0.2868 0.3498 0.3332 -0.0046 0.0153  0.0520  293 ARG B CB  
2138 C CG  . ARG C 49  ? 0.3629 0.4286 0.4152 -0.0057 0.0171  0.0599  293 ARG B CG  
2139 C CD  . ARG C 49  ? 0.4308 0.4999 0.4833 -0.0085 0.0179  0.0601  293 ARG B CD  
2140 N NE  . ARG C 49  ? 0.4873 0.5477 0.5410 -0.0092 0.0205  0.0565  293 ARG B NE  
2141 C CZ  . ARG C 49  ? 0.5690 0.6291 0.6187 -0.0104 0.0202  0.0500  293 ARG B CZ  
2142 N NH1 . ARG C 49  ? 0.6035 0.6713 0.6482 -0.0107 0.0173  0.0460  293 ARG B NH1 
2143 N NH2 . ARG C 49  ? 0.6021 0.6546 0.6533 -0.0114 0.0229  0.0473  293 ARG B NH2 
2144 N N   A GLN C 50  ? 0.2288 0.2707 0.2784 -0.0006 0.0192  0.0486  294 GLN B N   
2145 N N   B GLN C 50  ? 0.2347 0.2766 0.2842 -0.0006 0.0192  0.0486  294 GLN B N   
2146 C CA  A GLN C 50  ? 0.2304 0.2636 0.2850 0.0000  0.0228  0.0497  294 GLN B CA  
2147 C CA  B GLN C 50  ? 0.2407 0.2738 0.2951 0.0000  0.0227  0.0495  294 GLN B CA  
2148 C C   A GLN C 50  ? 0.2191 0.2473 0.2730 0.0020  0.0228  0.0480  294 GLN B C   
2149 C C   B GLN C 50  ? 0.2245 0.2528 0.2784 0.0020  0.0228  0.0481  294 GLN B C   
2150 O O   A GLN C 50  ? 0.2132 0.2364 0.2723 0.0031  0.0255  0.0508  294 GLN B O   
2151 O O   B GLN C 50  ? 0.2184 0.2418 0.2775 0.0032  0.0254  0.0510  294 GLN B O   
2152 C CB  A GLN C 50  ? 0.2419 0.2699 0.2961 -0.0017 0.0249  0.0452  294 GLN B CB  
2153 C CB  B GLN C 50  ? 0.2612 0.2894 0.3146 -0.0016 0.0245  0.0444  294 GLN B CB  
2154 C CG  A GLN C 50  ? 0.2514 0.2845 0.3058 -0.0042 0.0249  0.0463  294 GLN B CG  
2155 C CG  B GLN C 50  ? 0.2791 0.3110 0.3339 -0.0041 0.0253  0.0462  294 GLN B CG  
2156 C CD  A GLN C 50  ? 0.2631 0.2907 0.3189 -0.0063 0.0279  0.0434  294 GLN B CD  
2157 C CD  B GLN C 50  ? 0.3019 0.3314 0.3638 -0.0045 0.0283  0.0531  294 GLN B CD  
2158 O OE1 A GLN C 50  ? 0.2693 0.2917 0.3230 -0.0065 0.0287  0.0376  294 GLN B OE1 
2159 O OE1 B GLN C 50  ? 0.3255 0.3467 0.3917 -0.0040 0.0317  0.0535  294 GLN B OE1 
2160 N NE2 A GLN C 50  ? 0.2794 0.3083 0.3388 -0.0084 0.0296  0.0475  294 GLN B NE2 
2161 N NE2 B GLN C 50  ? 0.3290 0.3660 0.3923 -0.0053 0.0272  0.0587  294 GLN B NE2 
2162 N N   . GLY C 51  ? 0.2206 0.2504 0.2686 0.0025  0.0200  0.0436  295 GLY B N   
2163 C CA  . GLY C 51  ? 0.2079 0.2331 0.2549 0.0041  0.0200  0.0420  295 GLY B CA  
2164 C C   . GLY C 51  ? 0.2102 0.2269 0.2591 0.0041  0.0230  0.0388  295 GLY B C   
2165 O O   . GLY C 51  ? 0.2008 0.2157 0.2477 0.0027  0.0235  0.0346  295 GLY B O   
2166 N N   . THR C 52  ? 0.2167 0.2290 0.2698 0.0053  0.0253  0.0408  296 THR B N   
2167 C CA  . THR C 52  ? 0.2328 0.2373 0.2875 0.0051  0.0284  0.0372  296 THR B CA  
2168 C C   . THR C 52  ? 0.2524 0.2534 0.3121 0.0039  0.0319  0.0382  296 THR B C   
2169 O O   . THR C 52  ? 0.2555 0.2501 0.3167 0.0032  0.0349  0.0347  296 THR B O   
2170 C CB  . THR C 52  ? 0.2381 0.2393 0.2958 0.0069  0.0299  0.0385  296 THR B CB  
2171 O OG1 . THR C 52  ? 0.2314 0.2349 0.2954 0.0083  0.0311  0.0454  296 THR B OG1 
2172 C CG2 . THR C 52  ? 0.2483 0.2517 0.3004 0.0075  0.0268  0.0366  296 THR B CG2 
2173 N N   . ASP C 53  ? 0.2670 0.2722 0.3293 0.0033  0.0318  0.0429  297 ASP B N   
2174 C CA  . ASP C 53  ? 0.2753 0.2772 0.3416 0.0016  0.0349  0.0438  297 ASP B CA  
2175 C C   . ASP C 53  ? 0.2736 0.2771 0.3350 -0.0008 0.0338  0.0385  297 ASP B C   
2176 O O   . ASP C 53  ? 0.3024 0.3028 0.3661 -0.0029 0.0365  0.0377  297 ASP B O   
2177 C CB  . ASP C 53  ? 0.3030 0.3088 0.3743 0.0019  0.0352  0.0515  297 ASP B CB  
2178 C CG  . ASP C 53  ? 0.2947 0.2997 0.3722 0.0046  0.0366  0.0578  297 ASP B CG  
2179 O OD1 . ASP C 53  ? 0.3350 0.3339 0.4149 0.0060  0.0389  0.0561  297 ASP B OD1 
2180 O OD2 . ASP C 53  ? 0.2927 0.3042 0.3722 0.0053  0.0352  0.0643  297 ASP B OD2 
2181 N N   . TYR C 54  ? 0.2447 0.2529 0.2994 -0.0007 0.0301  0.0347  298 TYR B N   
2182 C CA  . TYR C 54  ? 0.2393 0.2498 0.2893 -0.0026 0.0289  0.0296  298 TYR B CA  
2183 C C   . TYR C 54  ? 0.2495 0.2536 0.3001 -0.0042 0.0319  0.0247  298 TYR B C   
2184 O O   . TYR C 54  ? 0.2309 0.2296 0.2821 -0.0034 0.0334  0.0228  298 TYR B O   
2185 C CB  . TYR C 54  ? 0.2152 0.2301 0.2586 -0.0014 0.0248  0.0262  298 TYR B CB  
2186 C CG  . TYR C 54  ? 0.2229 0.2410 0.2611 -0.0026 0.0230  0.0208  298 TYR B CG  
2187 C CD1 . TYR C 54  ? 0.2097 0.2261 0.2433 -0.0018 0.0215  0.0157  298 TYR B CD1 
2188 C CD2 . TYR C 54  ? 0.2182 0.2419 0.2561 -0.0042 0.0224  0.0211  298 TYR B CD2 
2189 C CE1 . TYR C 54  ? 0.2247 0.2448 0.2539 -0.0024 0.0197  0.0112  298 TYR B CE1 
2190 C CE2 . TYR C 54  ? 0.2224 0.2500 0.2559 -0.0050 0.0207  0.0162  298 TYR B CE2 
2191 C CZ  . TYR C 54  ? 0.2284 0.2542 0.2577 -0.0039 0.0194  0.0113  298 TYR B CZ  
2192 O OH  . TYR C 54  ? 0.2324 0.2624 0.2576 -0.0041 0.0176  0.0068  298 TYR B OH  
2193 N N   . LYS C 55  ? 0.2542 0.2594 0.3042 -0.0069 0.0329  0.0224  299 LYS B N   
2194 C CA  . LYS C 55  ? 0.3037 0.3034 0.3546 -0.0091 0.0362  0.0178  299 LYS B CA  
2195 C C   . LYS C 55  ? 0.2902 0.2891 0.3362 -0.0087 0.0349  0.0119  299 LYS B C   
2196 O O   . LYS C 55  ? 0.3112 0.3046 0.3585 -0.0097 0.0377  0.0088  299 LYS B O   
2197 C CB  . LYS C 55  ? 0.3451 0.3476 0.3956 -0.0124 0.0370  0.0163  299 LYS B CB  
2198 C CG  . LYS C 55  ? 0.4141 0.4249 0.4586 -0.0127 0.0331  0.0131  299 LYS B CG  
2199 C CD  . LYS C 55  ? 0.5099 0.5265 0.5545 -0.0150 0.0329  0.0144  299 LYS B CD  
2200 C CE  . LYS C 55  ? 0.5574 0.5827 0.5964 -0.0144 0.0288  0.0114  299 LYS B CE  
2201 N NZ  . LYS C 55  ? 0.5985 0.6310 0.6376 -0.0163 0.0281  0.0132  299 LYS B NZ  
2202 N N   . HIS C 56  ? 0.2672 0.2716 0.3076 -0.0072 0.0307  0.0103  300 HIS B N   
2203 C CA  . HIS C 56  ? 0.2659 0.2696 0.3016 -0.0066 0.0292  0.0054  300 HIS B CA  
2204 C C   . HIS C 56  ? 0.2389 0.2407 0.2734 -0.0039 0.0276  0.0070  300 HIS B C   
2205 O O   . HIS C 56  ? 0.2545 0.2570 0.2842 -0.0029 0.0252  0.0040  300 HIS B O   
2206 C CB  . HIS C 56  ? 0.2867 0.2968 0.3170 -0.0069 0.0261  0.0019  300 HIS B CB  
2207 C CG  . HIS C 56  ? 0.3404 0.3530 0.3716 -0.0100 0.0278  0.0000  300 HIS B CG  
2208 N ND1 . HIS C 56  ? 0.3754 0.3949 0.4050 -0.0104 0.0258  0.0001  300 HIS B ND1 
2209 C CD2 . HIS C 56  ? 0.3603 0.3694 0.3941 -0.0130 0.0315  -0.0022 300 HIS B CD2 
2210 C CE1 . HIS C 56  ? 0.3805 0.4010 0.4115 -0.0137 0.0282  -0.0017 300 HIS B CE1 
2211 N NE2 . HIS C 56  ? 0.4060 0.4199 0.4394 -0.0154 0.0317  -0.0033 300 HIS B NE2 
2212 N N   . TRP C 57  ? 0.2321 0.2313 0.2712 -0.0027 0.0290  0.0117  301 TRP B N   
2213 C CA  . TRP C 57  ? 0.2325 0.2307 0.2707 -0.0004 0.0275  0.0134  301 TRP B CA  
2214 C C   . TRP C 57  ? 0.2319 0.2257 0.2682 -0.0006 0.0285  0.0093  301 TRP B C   
2215 O O   . TRP C 57  ? 0.2091 0.2039 0.2407 0.0004  0.0258  0.0078  301 TRP B O   
2216 C CB  . TRP C 57  ? 0.2156 0.2127 0.2595 0.0007  0.0291  0.0195  301 TRP B CB  
2217 C CG  . TRP C 57  ? 0.2034 0.2003 0.2461 0.0027  0.0276  0.0207  301 TRP B CG  
2218 C CD1 . TRP C 57  ? 0.1943 0.1868 0.2400 0.0035  0.0298  0.0212  301 TRP B CD1 
2219 C CD2 . TRP C 57  ? 0.1868 0.1878 0.2243 0.0038  0.0235  0.0207  301 TRP B CD2 
2220 N NE1 . TRP C 57  ? 0.1913 0.1854 0.2340 0.0048  0.0273  0.0219  301 TRP B NE1 
2221 C CE2 . TRP C 57  ? 0.1852 0.1840 0.2227 0.0049  0.0235  0.0215  301 TRP B CE2 
2222 C CE3 . TRP C 57  ? 0.1746 0.1807 0.2075 0.0038  0.0201  0.0198  301 TRP B CE3 
2223 C CZ2 . TRP C 57  ? 0.1783 0.1797 0.2114 0.0058  0.0202  0.0217  301 TRP B CZ2 
2224 C CZ3 . TRP C 57  ? 0.1675 0.1758 0.1963 0.0049  0.0170  0.0198  301 TRP B CZ3 
2225 C CH2 . TRP C 57  ? 0.1756 0.1812 0.2043 0.0058  0.0171  0.0207  301 TRP B CH2 
2226 N N   . PRO C 58  ? 0.2450 0.2342 0.2845 -0.0023 0.0324  0.0070  302 PRO B N   
2227 C CA  . PRO C 58  ? 0.2395 0.2255 0.2773 -0.0029 0.0335  0.0029  302 PRO B CA  
2228 C C   . PRO C 58  ? 0.2246 0.2137 0.2553 -0.0032 0.0302  -0.0011 302 PRO B C   
2229 O O   . PRO C 58  ? 0.2120 0.2000 0.2396 -0.0025 0.0291  -0.0024 302 PRO B O   
2230 C CB  . PRO C 58  ? 0.2584 0.2399 0.3006 -0.0053 0.0384  0.0005  302 PRO B CB  
2231 C CG  . PRO C 58  ? 0.2580 0.2383 0.3064 -0.0049 0.0403  0.0056  302 PRO B CG  
2232 C CD  . PRO C 58  ? 0.2667 0.2534 0.3119 -0.0040 0.0362  0.0082  302 PRO B CD  
2233 N N   . GLN C 59  ? 0.2312 0.2243 0.2594 -0.0041 0.0287  -0.0027 303 GLN B N   
2234 C CA  . GLN C 59  ? 0.2417 0.2385 0.2637 -0.0041 0.0256  -0.0063 303 GLN B CA  
2235 C C   . GLN C 59  ? 0.2110 0.2099 0.2289 -0.0013 0.0214  -0.0045 303 GLN B C   
2236 O O   . GLN C 59  ? 0.2241 0.2243 0.2372 -0.0007 0.0189  -0.0069 303 GLN B O   
2237 C CB  . GLN C 59  ? 0.2730 0.2744 0.2939 -0.0057 0.0252  -0.0086 303 GLN B CB  
2238 C CG  . GLN C 59  ? 0.3251 0.3250 0.3481 -0.0091 0.0290  -0.0120 303 GLN B CG  
2239 C CD  . GLN C 59  ? 0.3951 0.3903 0.4247 -0.0103 0.0332  -0.0097 303 GLN B CD  
2240 O OE1 . GLN C 59  ? 0.3694 0.3643 0.4021 -0.0091 0.0331  -0.0051 303 GLN B OE1 
2241 N NE2 . GLN C 59  ? 0.5055 0.4969 0.5375 -0.0130 0.0372  -0.0128 303 GLN B NE2 
2242 N N   . ILE C 60  ? 0.1954 0.1947 0.2154 0.0001  0.0206  -0.0002 304 ILE B N   
2243 C CA  . ILE C 60  ? 0.1825 0.1831 0.1989 0.0023  0.0171  0.0013  304 ILE B CA  
2244 C C   . ILE C 60  ? 0.1807 0.1772 0.1972 0.0028  0.0176  0.0023  304 ILE B C   
2245 O O   . ILE C 60  ? 0.1746 0.1706 0.1865 0.0037  0.0152  0.0010  304 ILE B O   
2246 C CB  . ILE C 60  ? 0.1820 0.1863 0.2003 0.0030  0.0161  0.0050  304 ILE B CB  
2247 C CG1 . ILE C 60  ? 0.1865 0.1957 0.2040 0.0024  0.0152  0.0035  304 ILE B CG1 
2248 C CG2 . ILE C 60  ? 0.1827 0.1882 0.1981 0.0048  0.0130  0.0068  304 ILE B CG2 
2249 C CD1 . ILE C 60  ? 0.1935 0.2068 0.2138 0.0024  0.0150  0.0074  304 ILE B CD1 
2250 N N   . ALA C 61  ? 0.1786 0.1724 0.2005 0.0024  0.0209  0.0045  305 ALA B N   
2251 C CA  . ALA C 61  ? 0.1815 0.1723 0.2046 0.0030  0.0217  0.0061  305 ALA B CA  
2252 C C   . ALA C 61  ? 0.1782 0.1665 0.1979 0.0021  0.0219  0.0023  305 ALA B C   
2253 O O   . ALA C 61  ? 0.1648 0.1517 0.1829 0.0026  0.0211  0.0029  305 ALA B O   
2254 C CB  . ALA C 61  ? 0.1868 0.1755 0.2171 0.0029  0.0255  0.0090  305 ALA B CB  
2255 N N   . GLN C 62  ? 0.1895 0.1779 0.2077 0.0006  0.0227  -0.0016 306 GLN B N   
2256 C CA  . GLN C 62  ? 0.1909 0.1781 0.2056 -0.0004 0.0227  -0.0051 306 GLN B CA  
2257 C C   . GLN C 62  ? 0.1735 0.1617 0.1820 0.0008  0.0186  -0.0050 306 GLN B C   
2258 O O   . GLN C 62  ? 0.1656 0.1527 0.1710 0.0001  0.0182  -0.0068 306 GLN B O   
2259 C CB  . GLN C 62  ? 0.2159 0.2046 0.2297 -0.0025 0.0239  -0.0093 306 GLN B CB  
2260 C CG  . GLN C 62  ? 0.2384 0.2314 0.2478 -0.0018 0.0205  -0.0103 306 GLN B CG  
2261 C CD  . GLN C 62  ? 0.2833 0.2789 0.2922 -0.0041 0.0218  -0.0144 306 GLN B CD  
2262 O OE1 . GLN C 62  ? 0.2967 0.2919 0.3042 -0.0060 0.0231  -0.0174 306 GLN B OE1 
2263 N NE2 . GLN C 62  ? 0.2963 0.2950 0.3064 -0.0044 0.0217  -0.0145 306 GLN B NE2 
2264 N N   . PHE C 63  ? 0.1616 0.1519 0.1683 0.0025  0.0156  -0.0031 307 PHE B N   
2265 C CA  . PHE C 63  ? 0.1655 0.1558 0.1665 0.0038  0.0119  -0.0031 307 PHE B CA  
2266 C C   . PHE C 63  ? 0.1573 0.1459 0.1584 0.0046  0.0111  0.0000  307 PHE B C   
2267 O O   . PHE C 63  ? 0.1866 0.1739 0.1831 0.0052  0.0086  0.0000  307 PHE B O   
2268 C CB  . PHE C 63  ? 0.1666 0.1602 0.1650 0.0053  0.0091  -0.0036 307 PHE B CB  
2269 C CG  . PHE C 63  ? 0.1765 0.1727 0.1739 0.0045  0.0093  -0.0069 307 PHE B CG  
2270 C CD1 . PHE C 63  ? 0.1772 0.1733 0.1707 0.0042  0.0083  -0.0093 307 PHE B CD1 
2271 C CD2 . PHE C 63  ? 0.1736 0.1730 0.1741 0.0038  0.0106  -0.0073 307 PHE B CD2 
2272 C CE1 . PHE C 63  ? 0.1875 0.1872 0.1804 0.0032  0.0087  -0.0123 307 PHE B CE1 
2273 C CE2 . PHE C 63  ? 0.1808 0.1832 0.1805 0.0027  0.0111  -0.0105 307 PHE B CE2 
2274 C CZ  . PHE C 63  ? 0.1783 0.1812 0.1743 0.0024  0.0101  -0.0130 307 PHE B CZ  
2275 N N   . ALA C 64  ? 0.1490 0.1377 0.1551 0.0045  0.0133  0.0027  308 ALA B N   
2276 C CA  . ALA C 64  ? 0.1449 0.1333 0.1514 0.0051  0.0125  0.0058  308 ALA B CA  
2277 C C   . ALA C 64  ? 0.1404 0.1260 0.1459 0.0042  0.0135  0.0052  308 ALA B C   
2278 O O   . ALA C 64  ? 0.1442 0.1284 0.1522 0.0032  0.0163  0.0036  308 ALA B O   
2279 C CB  . ALA C 64  ? 0.1375 0.1278 0.1501 0.0055  0.0145  0.0094  308 ALA B CB  
2280 N N   . PRO C 65  ? 0.1293 0.1140 0.1310 0.0043  0.0113  0.0062  309 PRO B N   
2281 C CA  . PRO C 65  ? 0.1269 0.1095 0.1270 0.0032  0.0119  0.0056  309 PRO B CA  
2282 C C   . PRO C 65  ? 0.1184 0.1016 0.1240 0.0029  0.0148  0.0078  309 PRO B C   
2283 O O   . PRO C 65  ? 0.1166 0.1020 0.1255 0.0038  0.0149  0.0110  309 PRO B O   
2284 C CB  . PRO C 65  ? 0.1347 0.1163 0.1290 0.0033  0.0085  0.0063  309 PRO B CB  
2285 C CG  . PRO C 65  ? 0.1339 0.1179 0.1291 0.0044  0.0071  0.0084  309 PRO B CG  
2286 C CD  . PRO C 65  ? 0.1312 0.1171 0.1295 0.0052  0.0082  0.0075  309 PRO B CD  
2287 N N   . SER C 66  ? 0.1133 0.0951 0.1197 0.0018  0.0170  0.0061  310 SER B N   
2288 C CA  . SER C 66  ? 0.1131 0.0955 0.1236 0.0016  0.0193  0.0079  310 SER B CA  
2289 C C   . SER C 66  ? 0.1115 0.0951 0.1189 0.0015  0.0168  0.0106  310 SER B C   
2290 O O   . SER C 66  ? 0.1034 0.0860 0.1048 0.0012  0.0135  0.0101  310 SER B O   
2291 C CB  . SER C 66  ? 0.1148 0.0957 0.1251 0.0000  0.0216  0.0050  310 SER B CB  
2292 O OG  . SER C 66  ? 0.1163 0.0963 0.1195 -0.0012 0.0189  0.0037  310 SER B OG  
2293 N N   . ALA C 67  ? 0.1070 0.0929 0.1188 0.0018  0.0184  0.0132  311 ALA B N   
2294 C CA  . ALA C 67  ? 0.1084 0.0961 0.1174 0.0011  0.0163  0.0154  311 ALA B CA  
2295 C C   . ALA C 67  ? 0.1076 0.0927 0.1099 -0.0007 0.0146  0.0132  311 ALA B C   
2296 O O   . ALA C 67  ? 0.1040 0.0884 0.1010 -0.0015 0.0117  0.0137  311 ALA B O   
2297 C CB  . ALA C 67  ? 0.1123 0.1036 0.1275 0.0017  0.0187  0.0185  311 ALA B CB  
2298 N N   . SER C 68  ? 0.1053 0.0890 0.1079 -0.0017 0.0166  0.0106  312 SER B N   
2299 C CA  . SER C 68  ? 0.1088 0.0905 0.1052 -0.0038 0.0153  0.0088  312 SER B CA  
2300 C C   . SER C 68  ? 0.1062 0.0849 0.0961 -0.0038 0.0120  0.0075  312 SER B C   
2301 O O   . SER C 68  ? 0.1035 0.0803 0.0876 -0.0048 0.0094  0.0079  312 SER B O   
2302 C CB  . SER C 68  ? 0.1083 0.0901 0.1068 -0.0049 0.0184  0.0061  312 SER B CB  
2303 O OG  . SER C 68  ? 0.1095 0.0903 0.1022 -0.0072 0.0173  0.0047  312 SER B OG  
2304 N N   . ALA C 69  ? 0.1089 0.0871 0.0999 -0.0026 0.0123  0.0059  313 ALA B N   
2305 C CA  . ALA C 69  ? 0.1110 0.0873 0.0968 -0.0021 0.0094  0.0046  313 ALA B CA  
2306 C C   . ALA C 69  ? 0.1099 0.0857 0.0935 -0.0009 0.0065  0.0065  313 ALA B C   
2307 O O   . ALA C 69  ? 0.1127 0.0859 0.0907 -0.0008 0.0037  0.0061  313 ALA B O   
2308 C CB  . ALA C 69  ? 0.1151 0.0921 0.1032 -0.0013 0.0107  0.0024  313 ALA B CB  
2309 N N   . PHE C 70  ? 0.1080 0.0863 0.0959 -0.0001 0.0073  0.0087  314 PHE B N   
2310 C CA  . PHE C 70  ? 0.1092 0.0880 0.0951 0.0004  0.0049  0.0102  314 PHE B CA  
2311 C C   . PHE C 70  ? 0.1063 0.0829 0.0870 -0.0011 0.0030  0.0108  314 PHE B C   
2312 O O   . PHE C 70  ? 0.1070 0.0811 0.0830 -0.0009 0.0004  0.0103  314 PHE B O   
2313 C CB  . PHE C 70  ? 0.1109 0.0941 0.1027 0.0012  0.0063  0.0128  314 PHE B CB  
2314 C CG  . PHE C 70  ? 0.1167 0.1018 0.1067 0.0012  0.0041  0.0144  314 PHE B CG  
2315 C CD1 . PHE C 70  ? 0.1211 0.1069 0.1100 0.0024  0.0025  0.0137  314 PHE B CD1 
2316 C CD2 . PHE C 70  ? 0.1212 0.1081 0.1107 -0.0001 0.0038  0.0165  314 PHE B CD2 
2317 C CE1 . PHE C 70  ? 0.1225 0.1104 0.1096 0.0021  0.0008  0.0146  314 PHE B CE1 
2318 C CE2 . PHE C 70  ? 0.1250 0.1143 0.1128 -0.0007 0.0020  0.0175  314 PHE B CE2 
2319 C CZ  . PHE C 70  ? 0.1229 0.1126 0.1095 0.0003  0.0005  0.0165  314 PHE B CZ  
2320 N N   . PHE C 71  ? 0.1034 0.0808 0.0851 -0.0028 0.0044  0.0117  315 PHE B N   
2321 C CA  . PHE C 71  ? 0.1063 0.0819 0.0832 -0.0049 0.0029  0.0125  315 PHE B CA  
2322 C C   . PHE C 71  ? 0.1133 0.0845 0.0846 -0.0060 0.0018  0.0108  315 PHE B C   
2323 O O   . PHE C 71  ? 0.1145 0.0827 0.0806 -0.0076 0.0000  0.0113  315 PHE B O   
2324 C CB  . PHE C 71  ? 0.1051 0.0845 0.0852 -0.0064 0.0048  0.0144  315 PHE B CB  
2325 C CG  . PHE C 71  ? 0.1019 0.0856 0.0848 -0.0061 0.0045  0.0168  315 PHE B CG  
2326 C CD1 . PHE C 71  ? 0.0992 0.0876 0.0892 -0.0044 0.0066  0.0186  315 PHE B CD1 
2327 C CD2 . PHE C 71  ? 0.1061 0.0890 0.0845 -0.0075 0.0022  0.0173  315 PHE B CD2 
2328 C CE1 . PHE C 71  ? 0.0957 0.0890 0.0881 -0.0042 0.0062  0.0212  315 PHE B CE1 
2329 C CE2 . PHE C 71  ? 0.1034 0.0914 0.0841 -0.0077 0.0020  0.0194  315 PHE B CE2 
2330 C CZ  . PHE C 71  ? 0.0987 0.0922 0.0863 -0.0060 0.0038  0.0215  315 PHE B CZ  
2331 N N   . GLY C 72  ? 0.1135 0.0845 0.0859 -0.0053 0.0029  0.0090  316 GLY B N   
2332 C CA  . GLY C 72  ? 0.1217 0.0900 0.0894 -0.0064 0.0020  0.0076  316 GLY B CA  
2333 C C   . GLY C 72  ? 0.1292 0.0942 0.0925 -0.0048 -0.0007 0.0068  316 GLY B C   
2334 O O   . GLY C 72  ? 0.1316 0.0933 0.0896 -0.0056 -0.0026 0.0070  316 GLY B O   
2335 N N   . MET C 73  ? 0.1340 0.1002 0.0999 -0.0024 -0.0009 0.0061  317 MET B N   
2336 C CA  . MET C 73  ? 0.1468 0.1111 0.1096 -0.0005 -0.0031 0.0050  317 MET B CA  
2337 C C   . MET C 73  ? 0.1492 0.1110 0.1096 0.0006  -0.0054 0.0057  317 MET B C   
2338 O O   . MET C 73  ? 0.1496 0.1082 0.1061 0.0020  -0.0077 0.0052  317 MET B O   
2339 C CB  . MET C 73  ? 0.1518 0.1195 0.1186 0.0011  -0.0019 0.0034  317 MET B CB  
2340 C CG  . MET C 73  ? 0.1621 0.1323 0.1313 0.0000  0.0005  0.0018  317 MET B CG  
2341 S SD  . MET C 73  ? 0.1797 0.1534 0.1532 0.0014  0.0019  -0.0001 317 MET B SD  
2342 C CE  . MET C 73  ? 0.1870 0.1620 0.1649 0.0027  0.0023  0.0016  317 MET B CE  
2343 N N   . SER C 74  ? 0.1401 0.1038 0.1032 0.0002  -0.0048 0.0068  318 SER B N   
2344 C CA  . SER C 74  ? 0.1368 0.0993 0.0983 0.0011  -0.0065 0.0070  318 SER B CA  
2345 C C   . SER C 74  ? 0.1479 0.1053 0.1040 -0.0004 -0.0082 0.0076  318 SER B C   
2346 O O   . SER C 74  ? 0.1449 0.1010 0.0994 -0.0028 -0.0077 0.0086  318 SER B O   
2347 C CB  . SER C 74  ? 0.1312 0.0986 0.0974 0.0008  -0.0051 0.0081  318 SER B CB  
2348 O OG  . SER C 74  ? 0.1184 0.0898 0.0898 0.0020  -0.0033 0.0079  318 SER B OG  
2349 N N   . ARG C 75  ? 0.1519 0.1065 0.1054 0.0007  -0.0101 0.0067  319 ARG B N   
2350 C CA  . ARG C 75  ? 0.1703 0.1204 0.1196 -0.0011 -0.0113 0.0071  319 ARG B CA  
2351 C C   . ARG C 75  ? 0.1604 0.1152 0.1124 -0.0027 -0.0103 0.0078  319 ARG B C   
2352 O O   . ARG C 75  ? 0.1657 0.1245 0.1206 -0.0013 -0.0101 0.0071  319 ARG B O   
2353 C CB  . ARG C 75  ? 0.1933 0.1376 0.1386 0.0008  -0.0135 0.0056  319 ARG B CB  
2354 C CG  . ARG C 75  ? 0.2110 0.1517 0.1539 0.0028  -0.0146 0.0056  319 ARG B CG  
2355 C CD  . ARG C 75  ? 0.2403 0.1735 0.1785 0.0041  -0.0167 0.0050  319 ARG B CD  
2356 N NE  . ARG C 75  ? 0.2413 0.1688 0.1756 0.0012  -0.0171 0.0058  319 ARG B NE  
2357 C CZ  . ARG C 75  ? 0.2375 0.1617 0.1687 -0.0014 -0.0172 0.0077  319 ARG B CZ  
2358 N NH1 . ARG C 75  ? 0.2427 0.1621 0.1704 -0.0044 -0.0174 0.0082  319 ARG B NH1 
2359 N NH2 . ARG C 75  ? 0.2285 0.1547 0.1600 -0.0015 -0.0169 0.0089  319 ARG B NH2 
2360 N N   . ILE C 76  ? 0.1585 0.1140 0.1099 -0.0057 -0.0096 0.0093  320 ILE B N   
2361 C CA  . ILE C 76  ? 0.1512 0.1127 0.1056 -0.0075 -0.0085 0.0104  320 ILE B CA  
2362 C C   . ILE C 76  ? 0.1613 0.1198 0.1113 -0.0100 -0.0097 0.0099  320 ILE B C   
2363 O O   . ILE C 76  ? 0.1591 0.1111 0.1042 -0.0116 -0.0106 0.0097  320 ILE B O   
2364 C CB  . ILE C 76  ? 0.1440 0.1099 0.1019 -0.0090 -0.0065 0.0125  320 ILE B CB  
2365 C CG1 . ILE C 76  ? 0.1404 0.1087 0.1029 -0.0067 -0.0049 0.0125  320 ILE B CG1 
2366 C CG2 . ILE C 76  ? 0.1430 0.1157 0.1039 -0.0107 -0.0057 0.0142  320 ILE B CG2 
2367 C CD1 . ILE C 76  ? 0.1365 0.1099 0.1042 -0.0044 -0.0042 0.0127  320 ILE B CD1 
2368 N N   . GLY C 77  ? 0.1679 0.1310 0.1194 -0.0107 -0.0097 0.0097  321 GLY B N   
2369 C CA  . GLY C 77  ? 0.1861 0.1476 0.1338 -0.0136 -0.0105 0.0087  321 GLY B CA  
2370 C C   . GLY C 77  ? 0.1961 0.1670 0.1472 -0.0157 -0.0095 0.0102  321 GLY B C   
2371 O O   . GLY C 77  ? 0.1822 0.1602 0.1388 -0.0142 -0.0084 0.0121  321 GLY B O   
2372 N N   . MET C 78  ? 0.2330 0.2038 0.1807 -0.0193 -0.0099 0.0095  322 MET B N   
2373 C CA  . MET C 78  ? 0.2589 0.2394 0.2092 -0.0215 -0.0093 0.0106  322 MET B CA  
2374 C C   . MET C 78  ? 0.2703 0.2493 0.2169 -0.0233 -0.0102 0.0075  322 MET B C   
2375 O O   . MET C 78  ? 0.2667 0.2370 0.2080 -0.0248 -0.0109 0.0052  322 MET B O   
2376 C CB  . MET C 78  ? 0.2936 0.2790 0.2448 -0.0248 -0.0084 0.0132  322 MET B CB  
2377 C CG  . MET C 78  ? 0.3468 0.3392 0.3046 -0.0227 -0.0069 0.0166  322 MET B CG  
2378 S SD  . MET C 78  ? 0.4719 0.4757 0.4326 -0.0262 -0.0058 0.0198  322 MET B SD  
2379 C CE  . MET C 78  ? 0.4948 0.4912 0.4508 -0.0288 -0.0058 0.0193  322 MET B CE  
2380 N N   . GLU C 79  ? 0.2744 0.2614 0.2239 -0.0230 -0.0100 0.0073  323 GLU B N   
2381 C CA  . GLU C 79  ? 0.2977 0.2851 0.2443 -0.0250 -0.0106 0.0040  323 GLU B CA  
2382 C C   . GLU C 79  ? 0.2653 0.2652 0.2144 -0.0280 -0.0100 0.0056  323 GLU B C   
2383 O O   . GLU C 79  ? 0.2392 0.2477 0.1937 -0.0265 -0.0094 0.0091  323 GLU B O   
2384 C CB  . GLU C 79  ? 0.3313 0.3177 0.2788 -0.0214 -0.0111 0.0015  323 GLU B CB  
2385 C CG  . GLU C 79  ? 0.4017 0.3763 0.3462 -0.0183 -0.0118 -0.0006 323 GLU B CG  
2386 C CD  . GLU C 79  ? 0.4696 0.4439 0.4151 -0.0148 -0.0123 -0.0032 323 GLU B CD  
2387 O OE1 . GLU C 79  ? 0.5168 0.4994 0.4644 -0.0154 -0.0120 -0.0040 323 GLU B OE1 
2388 O OE2 . GLU C 79  ? 0.5619 0.5284 0.5062 -0.0115 -0.0130 -0.0043 323 GLU B OE2 
2389 N N   . VAL C 80  ? 0.2674 0.2681 0.2125 -0.0324 -0.0101 0.0032  324 VAL B N   
2390 C CA  . VAL C 80  ? 0.2772 0.2907 0.2241 -0.0358 -0.0098 0.0043  324 VAL B CA  
2391 C C   . VAL C 80  ? 0.2701 0.2848 0.2155 -0.0360 -0.0101 0.0002  324 VAL B C   
2392 O O   . VAL C 80  ? 0.2831 0.2885 0.2238 -0.0368 -0.0103 -0.0042 324 VAL B O   
2393 C CB  . VAL C 80  ? 0.2906 0.3062 0.2343 -0.0415 -0.0095 0.0042  324 VAL B CB  
2394 C CG1 . VAL C 80  ? 0.3090 0.3395 0.2547 -0.0450 -0.0092 0.0055  324 VAL B CG1 
2395 C CG2 . VAL C 80  ? 0.2986 0.3121 0.2431 -0.0415 -0.0091 0.0076  324 VAL B CG2 
2396 N N   . THR C 81  ? 0.2589 0.2844 0.2086 -0.0349 -0.0100 0.0018  325 THR B N   
2397 C CA  . THR C 81  ? 0.2544 0.2836 0.2031 -0.0355 -0.0101 -0.0018 325 THR B CA  
2398 C C   . THR C 81  ? 0.2599 0.3045 0.2104 -0.0396 -0.0098 0.0000  325 THR B C   
2399 O O   . THR C 81  ? 0.2219 0.2741 0.1751 -0.0410 -0.0096 0.0046  325 THR B O   
2400 C CB  . THR C 81  ? 0.2410 0.2694 0.1929 -0.0304 -0.0104 -0.0018 325 THR B CB  
2401 O OG1 . THR C 81  ? 0.2355 0.2745 0.1932 -0.0293 -0.0101 0.0035  325 THR B OG1 
2402 C CG2 . THR C 81  ? 0.2477 0.2628 0.1985 -0.0263 -0.0107 -0.0028 325 THR B CG2 
2403 N N   . PRO C 82  ? 0.3005 0.3512 0.2499 -0.0416 -0.0098 -0.0034 326 PRO B N   
2404 C CA  . PRO C 82  ? 0.3045 0.3716 0.2561 -0.0451 -0.0097 -0.0010 326 PRO B CA  
2405 C C   . PRO C 82  ? 0.2961 0.3731 0.2544 -0.0425 -0.0097 0.0061  326 PRO B C   
2406 O O   . PRO C 82  ? 0.3012 0.3896 0.2617 -0.0452 -0.0096 0.0102  326 PRO B O   
2407 C CB  . PRO C 82  ? 0.3172 0.3865 0.2673 -0.0454 -0.0097 -0.0061 326 PRO B CB  
2408 C CG  . PRO C 82  ? 0.3274 0.3815 0.2721 -0.0453 -0.0095 -0.0125 326 PRO B CG  
2409 C CD  . PRO C 82  ? 0.3155 0.3578 0.2612 -0.0407 -0.0099 -0.0098 326 PRO B CD  
2410 N N   . SER C 83  ? 0.2695 0.3418 0.2311 -0.0373 -0.0098 0.0078  327 SER B N   
2411 C CA  . SER C 83  ? 0.2717 0.3520 0.2398 -0.0346 -0.0096 0.0143  327 SER B CA  
2412 C C   . SER C 83  ? 0.2714 0.3492 0.2421 -0.0335 -0.0091 0.0187  327 SER B C   
2413 O O   . SER C 83  ? 0.2762 0.3618 0.2525 -0.0320 -0.0086 0.0245  327 SER B O   
2414 C CB  . SER C 83  ? 0.2883 0.3649 0.2590 -0.0300 -0.0096 0.0142  327 SER B CB  
2415 O OG  . SER C 83  ? 0.3268 0.3890 0.2955 -0.0268 -0.0096 0.0117  327 SER B OG  
2416 N N   . GLY C 84  ? 0.2710 0.3383 0.2378 -0.0343 -0.0090 0.0163  328 GLY B N   
2417 C CA  . GLY C 84  ? 0.2452 0.3115 0.2145 -0.0336 -0.0085 0.0203  328 GLY B CA  
2418 C C   . GLY C 84  ? 0.2166 0.2682 0.1829 -0.0317 -0.0084 0.0179  328 GLY B C   
2419 O O   . GLY C 84  ? 0.2078 0.2499 0.1692 -0.0318 -0.0090 0.0131  328 GLY B O   
2420 N N   . THR C 85  ? 0.1963 0.2467 0.1655 -0.0303 -0.0077 0.0214  329 THR B N   
2421 C CA  . THR C 85  ? 0.1914 0.2295 0.1582 -0.0288 -0.0075 0.0199  329 THR B CA  
2422 C C   . THR C 85  ? 0.1728 0.2066 0.1436 -0.0237 -0.0070 0.0211  329 THR B C   
2423 O O   . THR C 85  ? 0.1528 0.1932 0.1296 -0.0216 -0.0061 0.0251  329 THR B O   
2424 C CB  . THR C 85  ? 0.2015 0.2414 0.1683 -0.0312 -0.0069 0.0222  329 THR B CB  
2425 O OG1 . THR C 85  ? 0.2202 0.2643 0.1830 -0.0363 -0.0074 0.0205  329 THR B OG1 
2426 C CG2 . THR C 85  ? 0.2009 0.2290 0.1649 -0.0302 -0.0068 0.0207  329 THR B CG2 
2427 N N   . TRP C 86  ? 0.1710 0.1935 0.1382 -0.0219 -0.0076 0.0177  330 TRP B N   
2428 C CA  . TRP C 86  ? 0.1742 0.1923 0.1440 -0.0176 -0.0073 0.0176  330 TRP B CA  
2429 C C   . TRP C 86  ? 0.1756 0.1838 0.1433 -0.0164 -0.0071 0.0167  330 TRP B C   
2430 O O   . TRP C 86  ? 0.1932 0.1941 0.1554 -0.0181 -0.0080 0.0142  330 TRP B O   
2431 C CB  . TRP C 86  ? 0.1813 0.1968 0.1488 -0.0163 -0.0083 0.0140  330 TRP B CB  
2432 C CG  . TRP C 86  ? 0.1889 0.2144 0.1582 -0.0175 -0.0084 0.0144  330 TRP B CG  
2433 C CD1 . TRP C 86  ? 0.2002 0.2302 0.1665 -0.0212 -0.0090 0.0126  330 TRP B CD1 
2434 C CD2 . TRP C 86  ? 0.1998 0.2323 0.1740 -0.0153 -0.0080 0.0166  330 TRP B CD2 
2435 N NE1 . TRP C 86  ? 0.2040 0.2443 0.1732 -0.0214 -0.0090 0.0138  330 TRP B NE1 
2436 C CE2 . TRP C 86  ? 0.2130 0.2547 0.1870 -0.0178 -0.0084 0.0164  330 TRP B CE2 
2437 C CE3 . TRP C 86  ? 0.2030 0.2348 0.1817 -0.0119 -0.0073 0.0186  330 TRP B CE3 
2438 C CZ2 . TRP C 86  ? 0.2221 0.2725 0.2002 -0.0168 -0.0082 0.0186  330 TRP B CZ2 
2439 C CZ3 . TRP C 86  ? 0.2059 0.2455 0.1886 -0.0109 -0.0070 0.0207  330 TRP B CZ3 
2440 C CH2 . TRP C 86  ? 0.2147 0.2636 0.1972 -0.0133 -0.0075 0.0209  330 TRP B CH2 
2441 N N   . LEU C 87  ? 0.1653 0.1733 0.1373 -0.0136 -0.0060 0.0187  331 LEU B N   
2442 C CA  . LEU C 87  ? 0.1711 0.1707 0.1417 -0.0120 -0.0058 0.0176  331 LEU B CA  
2443 C C   . LEU C 87  ? 0.1643 0.1593 0.1340 -0.0091 -0.0066 0.0150  331 LEU B C   
2444 O O   . LEU C 87  ? 0.1750 0.1738 0.1491 -0.0069 -0.0058 0.0161  331 LEU B O   
2445 C CB  . LEU C 87  ? 0.1792 0.1819 0.1553 -0.0108 -0.0039 0.0206  331 LEU B CB  
2446 C CG  . LEU C 87  ? 0.2006 0.1963 0.1755 -0.0099 -0.0033 0.0196  331 LEU B CG  
2447 C CD1 . LEU C 87  ? 0.2111 0.2028 0.1808 -0.0129 -0.0041 0.0189  331 LEU B CD1 
2448 C CD2 . LEU C 87  ? 0.2094 0.2086 0.1905 -0.0085 -0.0011 0.0221  331 LEU B CD2 
2449 N N   . THR C 88  ? 0.1589 0.1460 0.1232 -0.0091 -0.0079 0.0120  332 THR B N   
2450 C CA  . THR C 88  ? 0.1592 0.1424 0.1226 -0.0061 -0.0087 0.0095  332 THR B CA  
2451 C C   . THR C 88  ? 0.1552 0.1335 0.1190 -0.0041 -0.0083 0.0096  332 THR B C   
2452 O O   . THR C 88  ? 0.1549 0.1300 0.1172 -0.0054 -0.0080 0.0105  332 THR B O   
2453 C CB  . THR C 88  ? 0.1678 0.1451 0.1257 -0.0066 -0.0103 0.0062  332 THR B CB  
2454 O OG1 . THR C 88  ? 0.1728 0.1427 0.1264 -0.0081 -0.0108 0.0060  332 THR B OG1 
2455 C CG2 . THR C 88  ? 0.1758 0.1582 0.1330 -0.0090 -0.0105 0.0055  332 THR B CG2 
2456 N N   . TYR C 89  ? 0.1526 0.1309 0.1182 -0.0012 -0.0084 0.0085  333 TYR B N   
2457 C CA  . TYR C 89  ? 0.1519 0.1265 0.1176 0.0003  -0.0080 0.0082  333 TYR B CA  
2458 C C   . TYR C 89  ? 0.1586 0.1311 0.1231 0.0031  -0.0092 0.0057  333 TYR B C   
2459 O O   . TYR C 89  ? 0.1600 0.1363 0.1260 0.0041  -0.0094 0.0048  333 TYR B O   
2460 C CB  . TYR C 89  ? 0.1466 0.1261 0.1181 0.0005  -0.0058 0.0103  333 TYR B CB  
2461 C CG  . TYR C 89  ? 0.1390 0.1247 0.1154 0.0018  -0.0050 0.0111  333 TYR B CG  
2462 C CD1 . TYR C 89  ? 0.1396 0.1316 0.1190 0.0006  -0.0044 0.0135  333 TYR B CD1 
2463 C CD2 . TYR C 89  ? 0.1330 0.1189 0.1111 0.0039  -0.0047 0.0099  333 TYR B CD2 
2464 C CE1 . TYR C 89  ? 0.1392 0.1371 0.1230 0.0016  -0.0036 0.0147  333 TYR B CE1 
2465 C CE2 . TYR C 89  ? 0.1275 0.1190 0.1100 0.0047  -0.0038 0.0108  333 TYR B CE2 
2466 C CZ  . TYR C 89  ? 0.1299 0.1273 0.1152 0.0036  -0.0033 0.0134  333 TYR B CZ  
2467 O OH  . TYR C 89  ? 0.1307 0.1338 0.1202 0.0042  -0.0025 0.0149  333 TYR B OH  
2468 N N   . THR C 90  ? 0.1696 0.1366 0.1312 0.0042  -0.0099 0.0047  334 THR B N   
2469 C CA  . THR C 90  ? 0.1868 0.1528 0.1479 0.0071  -0.0109 0.0027  334 THR B CA  
2470 C C   . THR C 90  ? 0.1696 0.1335 0.1302 0.0076  -0.0106 0.0029  334 THR B C   
2471 O O   . THR C 90  ? 0.1659 0.1269 0.1248 0.0058  -0.0103 0.0040  334 THR B O   
2472 C CB  . THR C 90  ? 0.2194 0.1803 0.1760 0.0085  -0.0130 0.0007  334 THR B CB  
2473 O OG1 . THR C 90  ? 0.2354 0.1895 0.1878 0.0075  -0.0138 0.0013  334 THR B OG1 
2474 C CG2 . THR C 90  ? 0.2335 0.1959 0.1897 0.0073  -0.0132 0.0000  334 THR B CG2 
2475 N N   . GLY C 91  ? 0.1640 0.1297 0.1259 0.0097  -0.0107 0.0016  335 GLY B N   
2476 C CA  . GLY C 91  ? 0.1527 0.1171 0.1136 0.0101  -0.0106 0.0013  335 GLY B CA  
2477 C C   . GLY C 91  ? 0.1501 0.1184 0.1131 0.0122  -0.0106 -0.0002 335 GLY B C   
2478 O O   . GLY C 91  ? 0.1374 0.1086 0.1019 0.0137  -0.0109 -0.0012 335 GLY B O   
2479 N N   . ALA C 92  ? 0.1432 0.1118 0.1058 0.0121  -0.0101 -0.0006 336 ALA B N   
2480 C CA  . ALA C 92  ? 0.1520 0.1247 0.1162 0.0135  -0.0100 -0.0022 336 ALA B CA  
2481 C C   . ALA C 92  ? 0.1532 0.1280 0.1192 0.0116  -0.0079 -0.0025 336 ALA B C   
2482 O O   . ALA C 92  ? 0.1484 0.1205 0.1122 0.0100  -0.0077 -0.0017 336 ALA B O   
2483 C CB  . ALA C 92  ? 0.1563 0.1271 0.1166 0.0161  -0.0126 -0.0030 336 ALA B CB  
2484 N N   . ILE C 93  ? 0.1584 0.1378 0.1280 0.0115  -0.0064 -0.0038 337 ILE B N   
2485 C CA  . ILE C 93  ? 0.1646 0.1464 0.1366 0.0095  -0.0039 -0.0048 337 ILE B CA  
2486 C C   . ILE C 93  ? 0.1816 0.1674 0.1530 0.0103  -0.0045 -0.0069 337 ILE B C   
2487 O O   . ILE C 93  ? 0.1529 0.1421 0.1260 0.0117  -0.0048 -0.0079 337 ILE B O   
2488 C CB  . ILE C 93  ? 0.1694 0.1529 0.1469 0.0083  -0.0011 -0.0041 337 ILE B CB  
2489 C CG1 . ILE C 93  ? 0.1744 0.1550 0.1526 0.0074  -0.0004 -0.0018 337 ILE B CG1 
2490 C CG2 . ILE C 93  ? 0.1631 0.1491 0.1442 0.0065  0.0019  -0.0058 337 ILE B CG2 
2491 C CD1 . ILE C 93  ? 0.1874 0.1701 0.1710 0.0070  0.0016  -0.0003 337 ILE B CD1 
2492 N N   . LYS C 94  ? 0.1917 0.1782 0.1610 0.0091  -0.0044 -0.0078 338 LYS B N   
2493 C CA  . LYS C 94  ? 0.2033 0.1945 0.1716 0.0097  -0.0051 -0.0097 338 LYS B CA  
2494 C C   . LYS C 94  ? 0.1980 0.1935 0.1705 0.0076  -0.0021 -0.0118 338 LYS B C   
2495 O O   . LYS C 94  ? 0.1971 0.1917 0.1717 0.0049  0.0006  -0.0124 338 LYS B O   
2496 C CB  . LYS C 94  ? 0.2409 0.2324 0.2053 0.0088  -0.0062 -0.0096 338 LYS B CB  
2497 C CG  . LYS C 94  ? 0.2915 0.2886 0.2543 0.0101  -0.0078 -0.0110 338 LYS B CG  
2498 C CD  . LYS C 94  ? 0.3554 0.3561 0.3159 0.0079  -0.0076 -0.0117 338 LYS B CD  
2499 C CE  . LYS C 94  ? 0.4211 0.4185 0.3769 0.0088  -0.0102 -0.0092 338 LYS B CE  
2500 N NZ  . LYS C 94  ? 0.4652 0.4632 0.4188 0.0129  -0.0135 -0.0079 338 LYS B NZ  
2501 N N   . LEU C 95  ? 0.1952 0.1952 0.1689 0.0087  -0.0025 -0.0133 339 LEU B N   
2502 C CA  . LEU C 95  ? 0.2049 0.2093 0.1820 0.0063  0.0001  -0.0156 339 LEU B CA  
2503 C C   . LEU C 95  ? 0.2125 0.2204 0.1877 0.0042  0.0007  -0.0177 339 LEU B C   
2504 O O   . LEU C 95  ? 0.2186 0.2277 0.1897 0.0054  -0.0018 -0.0172 339 LEU B O   
2505 C CB  . LEU C 95  ? 0.2037 0.2127 0.1822 0.0078  -0.0005 -0.0165 339 LEU B CB  
2506 C CG  . LEU C 95  ? 0.2092 0.2170 0.1915 0.0081  0.0006  -0.0153 339 LEU B CG  
2507 C CD1 . LEU C 95  ? 0.2105 0.2140 0.1913 0.0104  -0.0014 -0.0128 339 LEU B CD1 
2508 C CD2 . LEU C 95  ? 0.2094 0.2231 0.1932 0.0086  0.0003  -0.0167 339 LEU B CD2 
2509 N N   . ASP C 96  ? 0.2211 0.2308 0.1993 0.0009  0.0042  -0.0200 340 ASP B N   
2510 C CA  . ASP C 96  ? 0.2439 0.2578 0.2206 -0.0019 0.0053  -0.0227 340 ASP B CA  
2511 C C   . ASP C 96  ? 0.2230 0.2444 0.1995 -0.0020 0.0045  -0.0248 340 ASP B C   
2512 O O   . ASP C 96  ? 0.2085 0.2323 0.1882 -0.0042 0.0072  -0.0271 340 ASP B O   
2513 C CB  . ASP C 96  ? 0.2568 0.2688 0.2368 -0.0056 0.0096  -0.0247 340 ASP B CB  
2514 C CG  . ASP C 96  ? 0.3030 0.3200 0.2816 -0.0092 0.0112  -0.0281 340 ASP B CG  
2515 O OD1 . ASP C 96  ? 0.3092 0.3256 0.2911 -0.0126 0.0153  -0.0308 340 ASP B OD1 
2516 O OD2 . ASP C 96  ? 0.2819 0.3032 0.2560 -0.0087 0.0084  -0.0279 340 ASP B OD2 
2517 N N   . ASP C 97  ? 0.2251 0.2501 0.1977 0.0004  0.0010  -0.0240 341 ASP B N   
2518 C CA  . ASP C 97  ? 0.2609 0.2939 0.2335 0.0008  0.0000  -0.0258 341 ASP B CA  
2519 C C   . ASP C 97  ? 0.2781 0.3178 0.2502 -0.0032 0.0019  -0.0291 341 ASP B C   
2520 O O   . ASP C 97  ? 0.2995 0.3467 0.2716 -0.0036 0.0014  -0.0309 341 ASP B O   
2521 C CB  . ASP C 97  ? 0.2646 0.2997 0.2339 0.0053  -0.0043 -0.0238 341 ASP B CB  
2522 C CG  . ASP C 97  ? 0.2755 0.3105 0.2406 0.0059  -0.0064 -0.0222 341 ASP B CG  
2523 O OD1 . ASP C 97  ? 0.3425 0.3713 0.3058 0.0083  -0.0082 -0.0194 341 ASP B OD1 
2524 O OD2 . ASP C 97  ? 0.2975 0.3389 0.2612 0.0035  -0.0060 -0.0237 341 ASP B OD2 
2525 N N   . LYS C 98  ? 0.3005 0.3380 0.2722 -0.0065 0.0041  -0.0301 342 LYS B N   
2526 C CA  . LYS C 98  ? 0.3464 0.3902 0.3180 -0.0111 0.0066  -0.0339 342 LYS B CA  
2527 C C   . LYS C 98  ? 0.3450 0.3875 0.3212 -0.0147 0.0112  -0.0371 342 LYS B C   
2528 O O   . LYS C 98  ? 0.3790 0.4271 0.3556 -0.0188 0.0134  -0.0408 342 LYS B O   
2529 C CB  . LYS C 98  ? 0.4139 0.4565 0.3835 -0.0140 0.0079  -0.0346 342 LYS B CB  
2530 C CG  . LYS C 98  ? 0.4741 0.5152 0.4394 -0.0113 0.0042  -0.0309 342 LYS B CG  
2531 C CD  . LYS C 98  ? 0.5265 0.5752 0.4880 -0.0091 0.0003  -0.0295 342 LYS B CD  
2532 C CE  . LYS C 98  ? 0.5746 0.6210 0.5319 -0.0076 -0.0024 -0.0261 342 LYS B CE  
2533 N NZ  . LYS C 98  ? 0.6012 0.6547 0.5550 -0.0052 -0.0062 -0.0242 342 LYS B NZ  
2534 N N   . ASP C 99  ? 0.3210 0.3561 0.3008 -0.0135 0.0126  -0.0356 343 ASP B N   
2535 C CA  . ASP C 99  ? 0.3147 0.3479 0.2992 -0.0168 0.0170  -0.0380 343 ASP B CA  
2536 C C   . ASP C 99  ? 0.2742 0.3127 0.2599 -0.0168 0.0167  -0.0391 343 ASP B C   
2537 O O   . ASP C 99  ? 0.2396 0.2796 0.2244 -0.0131 0.0135  -0.0366 343 ASP B O   
2538 C CB  . ASP C 99  ? 0.3454 0.3697 0.3338 -0.0157 0.0190  -0.0357 343 ASP B CB  
2539 C CG  . ASP C 99  ? 0.3852 0.4069 0.3786 -0.0194 0.0241  -0.0383 343 ASP B CG  
2540 O OD1 . ASP C 99  ? 0.3505 0.3714 0.3472 -0.0192 0.0251  -0.0376 343 ASP B OD1 
2541 O OD2 . ASP C 99  ? 0.3315 0.3525 0.3254 -0.0227 0.0272  -0.0413 343 ASP B OD2 
2542 N N   . PRO C 100 ? 0.2463 0.2877 0.2344 -0.0213 0.0203  -0.0429 344 PRO B N   
2543 C CA  . PRO C 100 ? 0.2485 0.2948 0.2381 -0.0220 0.0204  -0.0439 344 PRO B CA  
2544 C C   . PRO C 100 ? 0.2128 0.2547 0.2053 -0.0191 0.0199  -0.0406 344 PRO B C   
2545 O O   . PRO C 100 ? 0.2217 0.2687 0.2142 -0.0184 0.0186  -0.0406 344 PRO B O   
2546 C CB  . PRO C 100 ? 0.2565 0.3033 0.2487 -0.0279 0.0254  -0.0484 344 PRO B CB  
2547 C CG  . PRO C 100 ? 0.2619 0.3077 0.2526 -0.0303 0.0270  -0.0506 344 PRO B CG  
2548 C CD  . PRO C 100 ? 0.2520 0.2921 0.2414 -0.0261 0.0246  -0.0466 344 PRO B CD  
2549 N N   . ASN C 101 ? 0.2039 0.2372 0.1987 -0.0176 0.0209  -0.0379 345 ASN B N   
2550 C CA  . ASN C 101 ? 0.2085 0.2378 0.2062 -0.0152 0.0206  -0.0345 345 ASN B CA  
2551 C C   . ASN C 101 ? 0.2012 0.2317 0.1962 -0.0103 0.0159  -0.0313 345 ASN B C   
2552 O O   . ASN C 101 ? 0.1820 0.2107 0.1787 -0.0082 0.0152  -0.0286 345 ASN B O   
2553 C CB  . ASN C 101 ? 0.2305 0.2512 0.2321 -0.0155 0.0236  -0.0326 345 ASN B CB  
2554 C CG  . ASN C 101 ? 0.2444 0.2624 0.2503 -0.0198 0.0287  -0.0351 345 ASN B CG  
2555 O OD1 . ASN C 101 ? 0.2749 0.2967 0.2818 -0.0224 0.0301  -0.0373 345 ASN B OD1 
2556 N ND2 . ASN C 101 ? 0.2633 0.2747 0.2722 -0.0204 0.0317  -0.0348 345 ASN B ND2 
2557 N N   . PHE C 102 ? 0.1994 0.2329 0.1899 -0.0085 0.0129  -0.0316 346 PHE B N   
2558 C CA  . PHE C 102 ? 0.1857 0.2191 0.1734 -0.0038 0.0087  -0.0289 346 PHE B CA  
2559 C C   . PHE C 102 ? 0.1898 0.2272 0.1786 -0.0019 0.0072  -0.0283 346 PHE B C   
2560 O O   . PHE C 102 ? 0.1917 0.2259 0.1811 0.0007  0.0058  -0.0257 346 PHE B O   
2561 C CB  . PHE C 102 ? 0.1816 0.2191 0.1648 -0.0024 0.0057  -0.0295 346 PHE B CB  
2562 C CG  . PHE C 102 ? 0.1797 0.2163 0.1602 0.0025  0.0016  -0.0268 346 PHE B CG  
2563 C CD1 . PHE C 102 ? 0.1770 0.2201 0.1561 0.0051  -0.0010 -0.0273 346 PHE B CD1 
2564 C CD2 . PHE C 102 ? 0.1935 0.2227 0.1730 0.0044  0.0006  -0.0240 346 PHE B CD2 
2565 C CE1 . PHE C 102 ? 0.1745 0.2161 0.1516 0.0098  -0.0044 -0.0252 346 PHE B CE1 
2566 C CE2 . PHE C 102 ? 0.2002 0.2280 0.1773 0.0087  -0.0028 -0.0220 346 PHE B CE2 
2567 C CZ  . PHE C 102 ? 0.1890 0.2227 0.1650 0.0114  -0.0053 -0.0227 346 PHE B CZ  
2568 N N   . LYS C 103 ? 0.1893 0.2344 0.1781 -0.0035 0.0074  -0.0309 347 LYS B N   
2569 C CA  . LYS C 103 ? 0.1936 0.2441 0.1828 -0.0015 0.0056  -0.0307 347 LYS B CA  
2570 C C   . LYS C 103 ? 0.1773 0.2241 0.1703 -0.0022 0.0075  -0.0288 347 LYS B C   
2571 O O   . LYS C 103 ? 0.1649 0.2128 0.1580 0.0004  0.0056  -0.0272 347 LYS B O   
2572 C CB  . LYS C 103 ? 0.2146 0.2749 0.2032 -0.0035 0.0057  -0.0339 347 LYS B CB  
2573 C CG  . LYS C 103 ? 0.2481 0.3143 0.2329 -0.0013 0.0026  -0.0348 347 LYS B CG  
2574 C CD  . LYS C 103 ? 0.2808 0.3577 0.2647 -0.0036 0.0027  -0.0380 347 LYS B CD  
2575 C CE  . LYS C 103 ? 0.3166 0.3987 0.2969 -0.0006 -0.0006 -0.0376 347 LYS B CE  
2576 N NZ  . LYS C 103 ? 0.3360 0.4304 0.3153 -0.0015 -0.0016 -0.0400 347 LYS B NZ  
2577 N N   . ASP C 104 ? 0.1792 0.2218 0.1754 -0.0059 0.0113  -0.0290 348 ASP B N   
2578 C CA  . ASP C 104 ? 0.1919 0.2311 0.1920 -0.0066 0.0132  -0.0266 348 ASP B CA  
2579 C C   . ASP C 104 ? 0.1816 0.2148 0.1819 -0.0036 0.0119  -0.0230 348 ASP B C   
2580 O O   . ASP C 104 ? 0.1838 0.2170 0.1861 -0.0026 0.0116  -0.0205 348 ASP B O   
2581 C CB  . ASP C 104 ? 0.2180 0.2530 0.2219 -0.0109 0.0178  -0.0274 348 ASP B CB  
2582 C CG  . ASP C 104 ? 0.2359 0.2760 0.2406 -0.0150 0.0201  -0.0310 348 ASP B CG  
2583 O OD1 . ASP C 104 ? 0.2631 0.2996 0.2699 -0.0187 0.0239  -0.0328 348 ASP B OD1 
2584 O OD2 . ASP C 104 ? 0.2368 0.2845 0.2402 -0.0148 0.0183  -0.0320 348 ASP B OD2 
2585 N N   . GLN C 105 ? 0.1888 0.2175 0.1872 -0.0025 0.0113  -0.0226 349 GLN B N   
2586 C CA  . GLN C 105 ? 0.1940 0.2172 0.1922 0.0000  0.0101  -0.0194 349 GLN B CA  
2587 C C   . GLN C 105 ? 0.1845 0.2105 0.1802 0.0035  0.0064  -0.0184 349 GLN B C   
2588 O O   . GLN C 105 ? 0.1672 0.1914 0.1638 0.0050  0.0056  -0.0158 349 GLN B O   
2589 C CB  . GLN C 105 ? 0.2062 0.2249 0.2024 0.0000  0.0101  -0.0196 349 GLN B CB  
2590 C CG  . GLN C 105 ? 0.2219 0.2368 0.2213 -0.0032 0.0142  -0.0204 349 GLN B CG  
2591 C CD  . GLN C 105 ? 0.2391 0.2516 0.2360 -0.0038 0.0144  -0.0217 349 GLN B CD  
2592 O OE1 . GLN C 105 ? 0.2481 0.2614 0.2408 -0.0019 0.0113  -0.0215 349 GLN B OE1 
2593 N NE2 . GLN C 105 ? 0.2429 0.2523 0.2428 -0.0067 0.0182  -0.0229 349 GLN B NE2 
2594 N N   . VAL C 106 ? 0.1816 0.2126 0.1741 0.0049  0.0041  -0.0206 350 VAL B N   
2595 C CA  . VAL C 106 ? 0.1845 0.2182 0.1748 0.0085  0.0007  -0.0202 350 VAL B CA  
2596 C C   . VAL C 106 ? 0.1797 0.2176 0.1726 0.0083  0.0011  -0.0197 350 VAL B C   
2597 O O   . VAL C 106 ? 0.1857 0.2229 0.1784 0.0104  -0.0003 -0.0181 350 VAL B O   
2598 C CB  . VAL C 106 ? 0.1876 0.2261 0.1747 0.0103  -0.0015 -0.0224 350 VAL B CB  
2599 C CG1 . VAL C 106 ? 0.1965 0.2391 0.1823 0.0141  -0.0044 -0.0227 350 VAL B CG1 
2600 C CG2 . VAL C 106 ? 0.1864 0.2202 0.1703 0.0111  -0.0025 -0.0219 350 VAL B CG2 
2601 N N   . ILE C 107 ? 0.1874 0.2298 0.1825 0.0055  0.0031  -0.0211 351 ILE B N   
2602 C CA  . ILE C 107 ? 0.1964 0.2433 0.1939 0.0047  0.0036  -0.0205 351 ILE B CA  
2603 C C   . ILE C 107 ? 0.1825 0.2247 0.1828 0.0041  0.0050  -0.0169 351 ILE B C   
2604 O O   . ILE C 107 ? 0.1726 0.2173 0.1734 0.0053  0.0038  -0.0155 351 ILE B O   
2605 C CB  . ILE C 107 ? 0.2276 0.2801 0.2268 0.0012  0.0057  -0.0228 351 ILE B CB  
2606 C CG1 . ILE C 107 ? 0.2406 0.3010 0.2369 0.0028  0.0034  -0.0260 351 ILE B CG1 
2607 C CG2 . ILE C 107 ? 0.2288 0.2839 0.2312 -0.0008 0.0074  -0.0213 351 ILE B CG2 
2608 C CD1 . ILE C 107 ? 0.2561 0.3222 0.2532 -0.0009 0.0054  -0.0288 351 ILE B CD1 
2609 N N   . LEU C 108 ? 0.1904 0.2261 0.1926 0.0023  0.0074  -0.0155 352 LEU B N   
2610 C CA  . LEU C 108 ? 0.1879 0.2196 0.1933 0.0019  0.0088  -0.0117 352 LEU B CA  
2611 C C   . LEU C 108 ? 0.1942 0.2244 0.1975 0.0049  0.0062  -0.0098 352 LEU B C   
2612 O O   . LEU C 108 ? 0.1921 0.2243 0.1968 0.0052  0.0057  -0.0074 352 LEU B O   
2613 C CB  . LEU C 108 ? 0.1930 0.2182 0.2007 0.0000  0.0119  -0.0111 352 LEU B CB  
2614 C CG  . LEU C 108 ? 0.1863 0.2071 0.1981 -0.0003 0.0138  -0.0069 352 LEU B CG  
2615 C CD1 . LEU C 108 ? 0.1939 0.2178 0.2094 -0.0019 0.0153  -0.0046 352 LEU B CD1 
2616 C CD2 . LEU C 108 ? 0.1847 0.1993 0.1988 -0.0019 0.0169  -0.0071 352 LEU B CD2 
2617 N N   . LEU C 109 ? 0.1856 0.2126 0.1855 0.0067  0.0045  -0.0109 353 LEU B N   
2618 C CA  . LEU C 109 ? 0.1832 0.2079 0.1808 0.0092  0.0021  -0.0095 353 LEU B CA  
2619 C C   . LEU C 109 ? 0.1816 0.2119 0.1779 0.0111  -0.0001 -0.0104 353 LEU B C   
2620 O O   . LEU C 109 ? 0.1763 0.2067 0.1725 0.0118  -0.0010 -0.0087 353 LEU B O   
2621 C CB  . LEU C 109 ? 0.1882 0.2084 0.1823 0.0105  0.0009  -0.0106 353 LEU B CB  
2622 C CG  . LEU C 109 ? 0.1929 0.2076 0.1884 0.0087  0.0031  -0.0095 353 LEU B CG  
2623 C CD1 . LEU C 109 ? 0.1926 0.2044 0.1845 0.0092  0.0021  -0.0111 353 LEU B CD1 
2624 C CD2 . LEU C 109 ? 0.1948 0.2062 0.1920 0.0087  0.0036  -0.0062 353 LEU B CD2 
2625 N N   . ASN C 110 ? 0.1794 0.2146 0.1743 0.0118  -0.0011 -0.0133 354 ASN B N   
2626 C CA  . ASN C 110 ? 0.1820 0.2229 0.1757 0.0139  -0.0032 -0.0147 354 ASN B CA  
2627 C C   . ASN C 110 ? 0.1854 0.2312 0.1821 0.0121  -0.0021 -0.0131 354 ASN B C   
2628 O O   . ASN C 110 ? 0.1736 0.2233 0.1695 0.0135  -0.0036 -0.0136 354 ASN B O   
2629 C CB  . ASN C 110 ? 0.1990 0.2453 0.1913 0.0151  -0.0042 -0.0180 354 ASN B CB  
2630 C CG  . ASN C 110 ? 0.2219 0.2654 0.2107 0.0180  -0.0064 -0.0194 354 ASN B CG  
2631 O OD1 . ASN C 110 ? 0.2545 0.2924 0.2414 0.0198  -0.0076 -0.0184 354 ASN B OD1 
2632 N ND2 . ASN C 110 ? 0.2376 0.2855 0.2256 0.0185  -0.0069 -0.0216 354 ASN B ND2 
2633 N N   . LYS C 111 ? 0.1908 0.2365 0.1909 0.0090  0.0005  -0.0113 355 LYS B N   
2634 C CA  . LYS C 111 ? 0.2173 0.2675 0.2204 0.0071  0.0016  -0.0091 355 LYS B CA  
2635 C C   . LYS C 111 ? 0.1839 0.2319 0.1878 0.0074  0.0013  -0.0055 355 LYS B C   
2636 O O   . LYS C 111 ? 0.1564 0.2097 0.1615 0.0067  0.0011  -0.0039 355 LYS B O   
2637 C CB  . LYS C 111 ? 0.2724 0.3225 0.2788 0.0037  0.0046  -0.0083 355 LYS B CB  
2638 C CG  . LYS C 111 ? 0.3722 0.4241 0.3825 0.0013  0.0065  -0.0044 355 LYS B CG  
2639 C CD  . LYS C 111 ? 0.4662 0.5232 0.4787 -0.0016 0.0082  -0.0047 355 LYS B CD  
2640 C CE  . LYS C 111 ? 0.5193 0.5749 0.5320 -0.0034 0.0100  -0.0077 355 LYS B CE  
2641 N NZ  . LYS C 111 ? 0.5463 0.5934 0.5601 -0.0037 0.0119  -0.0070 355 LYS B NZ  
2642 N N   . HIS C 112 ? 0.1518 0.1930 0.1550 0.0082  0.0013  -0.0044 356 HIS B N   
2643 C CA  . HIS C 112 ? 0.1571 0.1965 0.1614 0.0080  0.0014  -0.0008 356 HIS B CA  
2644 C C   . HIS C 112 ? 0.1418 0.1804 0.1424 0.0102  -0.0011 -0.0020 356 HIS B C   
2645 O O   . HIS C 112 ? 0.1342 0.1748 0.1353 0.0098  -0.0015 0.0001  356 HIS B O   
2646 C CB  . HIS C 112 ? 0.1665 0.1996 0.1735 0.0069  0.0037  0.0019  356 HIS B CB  
2647 C CG  . HIS C 112 ? 0.1693 0.2028 0.1806 0.0046  0.0066  0.0035  356 HIS B CG  
2648 N ND1 . HIS C 112 ? 0.1566 0.1942 0.1714 0.0031  0.0076  0.0071  356 HIS B ND1 
2649 C CD2 . HIS C 112 ? 0.1707 0.2015 0.1833 0.0033  0.0086  0.0019  356 HIS B CD2 
2650 C CE1 . HIS C 112 ? 0.1703 0.2064 0.1885 0.0011  0.0104  0.0078  356 HIS B CE1 
2651 N NE2 . HIS C 112 ? 0.1753 0.2072 0.1922 0.0011  0.0111  0.0045  356 HIS B NE2 
2652 N N   . ILE C 113 ? 0.1408 0.1764 0.1378 0.0123  -0.0026 -0.0052 357 ILE B N   
2653 C CA  . ILE C 113 ? 0.1449 0.1783 0.1383 0.0143  -0.0049 -0.0065 357 ILE B CA  
2654 C C   . ILE C 113 ? 0.1509 0.1909 0.1436 0.0151  -0.0062 -0.0082 357 ILE B C   
2655 O O   . ILE C 113 ? 0.1418 0.1866 0.1344 0.0160  -0.0067 -0.0108 357 ILE B O   
2656 C CB  . ILE C 113 ? 0.1463 0.1747 0.1364 0.0164  -0.0062 -0.0090 357 ILE B CB  
2657 C CG1 . ILE C 113 ? 0.1466 0.1684 0.1369 0.0154  -0.0049 -0.0073 357 ILE B CG1 
2658 C CG2 . ILE C 113 ? 0.1469 0.1731 0.1333 0.0189  -0.0085 -0.0107 357 ILE B CG2 
2659 C CD1 . ILE C 113 ? 0.1486 0.1674 0.1363 0.0166  -0.0056 -0.0094 357 ILE B CD1 
2660 N N   . ASP C 114 ? 0.1547 0.1956 0.1470 0.0147  -0.0068 -0.0070 358 ASP B N   
2661 C CA  . ASP C 114 ? 0.1667 0.2141 0.1583 0.0150  -0.0078 -0.0087 358 ASP B CA  
2662 C C   . ASP C 114 ? 0.1669 0.2228 0.1613 0.0134  -0.0069 -0.0082 358 ASP B C   
2663 O O   . ASP C 114 ? 0.1648 0.2272 0.1586 0.0140  -0.0077 -0.0107 358 ASP B O   
2664 C CB  . ASP C 114 ? 0.1865 0.2323 0.1746 0.0181  -0.0097 -0.0131 358 ASP B CB  
2665 C CG  . ASP C 114 ? 0.2007 0.2391 0.1857 0.0192  -0.0108 -0.0137 358 ASP B CG  
2666 O OD1 . ASP C 114 ? 0.1841 0.2208 0.1693 0.0173  -0.0103 -0.0112 358 ASP B OD1 
2667 O OD2 . ASP C 114 ? 0.2302 0.2645 0.2127 0.0220  -0.0120 -0.0164 358 ASP B OD2 
2668 N N   . ALA C 115 ? 0.1655 0.2215 0.1632 0.0113  -0.0050 -0.0050 359 ALA B N   
2669 C CA  . ALA C 115 ? 0.1636 0.2270 0.1640 0.0094  -0.0039 -0.0040 359 ALA B CA  
2670 C C   . ALA C 115 ? 0.1659 0.2372 0.1670 0.0080  -0.0043 -0.0026 359 ALA B C   
2671 O O   . ALA C 115 ? 0.1562 0.2352 0.1579 0.0072  -0.0044 -0.0038 359 ALA B O   
2672 C CB  . ALA C 115 ? 0.1623 0.2229 0.1663 0.0074  -0.0016 -0.0005 359 ALA B CB  
2673 N N   . TYR C 116 ? 0.1846 0.2545 0.1853 0.0075  -0.0047 -0.0004 360 TYR B N   
2674 C CA  . TYR C 116 ? 0.1969 0.2747 0.1981 0.0057  -0.0050 0.0012  360 TYR B CA  
2675 C C   . TYR C 116 ? 0.2093 0.2935 0.2080 0.0066  -0.0064 -0.0036 360 TYR B C   
2676 O O   . TYR C 116 ? 0.2143 0.3075 0.2138 0.0048  -0.0065 -0.0029 360 TYR B O   
2677 C CB  . TYR C 116 ? 0.2119 0.2876 0.2125 0.0051  -0.0054 0.0036  360 TYR B CB  
2678 C CG  . TYR C 116 ? 0.2085 0.2801 0.2048 0.0070  -0.0070 -0.0008 360 TYR B CG  
2679 C CD1 . TYR C 116 ? 0.2232 0.3005 0.2173 0.0068  -0.0081 -0.0038 360 TYR B CD1 
2680 C CD2 . TYR C 116 ? 0.2124 0.2744 0.2068 0.0091  -0.0073 -0.0024 360 TYR B CD2 
2681 C CE1 . TYR C 116 ? 0.2379 0.3107 0.2283 0.0087  -0.0093 -0.0083 360 TYR B CE1 
2682 C CE2 . TYR C 116 ? 0.2228 0.2804 0.2133 0.0110  -0.0088 -0.0063 360 TYR B CE2 
2683 C CZ  . TYR C 116 ? 0.2305 0.2930 0.2191 0.0109  -0.0097 -0.0093 360 TYR B CZ  
2684 O OH  . TYR C 116 ? 0.2434 0.3007 0.2285 0.0127  -0.0108 -0.0133 360 TYR B OH  
2685 N N   . LYS C 117 ? 0.2174 0.2976 0.2134 0.0096  -0.0075 -0.0084 361 LYS B N   
2686 C CA  . LYS C 117 ? 0.2467 0.3325 0.2407 0.0110  -0.0087 -0.0134 361 LYS B CA  
2687 C C   . LYS C 117 ? 0.2380 0.3338 0.2340 0.0097  -0.0082 -0.0138 361 LYS B C   
2688 O O   . LYS C 117 ? 0.2598 0.3629 0.2549 0.0098  -0.0088 -0.0170 361 LYS B O   
2689 C CB  . LYS C 117 ? 0.2626 0.3422 0.2541 0.0149  -0.0098 -0.0178 361 LYS B CB  
2690 C CG  . LYS C 117 ? 0.2858 0.3569 0.2747 0.0161  -0.0106 -0.0182 361 LYS B CG  
2691 C CD  . LYS C 117 ? 0.3294 0.3944 0.3157 0.0200  -0.0119 -0.0223 361 LYS B CD  
2692 C CE  . LYS C 117 ? 0.3497 0.4069 0.3332 0.0207  -0.0125 -0.0229 361 LYS B CE  
2693 N NZ  . LYS C 117 ? 0.3749 0.4242 0.3563 0.0243  -0.0136 -0.0249 361 LYS B NZ  
2694 N N   . THR C 118 ? 0.2280 0.3242 0.2266 0.0082  -0.0069 -0.0110 362 THR B N   
2695 C CA  . THR C 118 ? 0.2260 0.3314 0.2262 0.0066  -0.0063 -0.0114 362 THR B CA  
2696 C C   . THR C 118 ? 0.2094 0.3206 0.2125 0.0026  -0.0051 -0.0061 362 THR B C   
2697 O O   . THR C 118 ? 0.1929 0.3115 0.1974 0.0007  -0.0044 -0.0057 362 THR B O   
2698 C CB  . THR C 118 ? 0.2319 0.3349 0.2328 0.0073  -0.0057 -0.0126 362 THR B CB  
2699 O OG1 . THR C 118 ? 0.2252 0.3216 0.2282 0.0057  -0.0041 -0.0083 362 THR B OG1 
2700 C CG2 . THR C 118 ? 0.2655 0.3642 0.2638 0.0113  -0.0071 -0.0174 362 THR B CG2 
2701 N N   . PHE C 119 ? 0.2024 0.3109 0.2062 0.0014  -0.0048 -0.0019 363 PHE B N   
2702 C CA  . PHE C 119 ? 0.2075 0.3211 0.2144 -0.0018 -0.0036 0.0039  363 PHE B CA  
2703 C C   . PHE C 119 ? 0.2250 0.3511 0.2315 -0.0038 -0.0042 0.0032  363 PHE B C   
2704 O O   . PHE C 119 ? 0.2097 0.3389 0.2135 -0.0029 -0.0055 -0.0005 363 PHE B O   
2705 C CB  . PHE C 119 ? 0.2153 0.3246 0.2234 -0.0023 -0.0033 0.0086  363 PHE B CB  
2706 C CG  . PHE C 119 ? 0.2009 0.2988 0.2101 -0.0010 -0.0023 0.0104  363 PHE B CG  
2707 C CD1 . PHE C 119 ? 0.2032 0.2954 0.2128 0.0000  -0.0015 0.0084  363 PHE B CD1 
2708 C CD2 . PHE C 119 ? 0.1910 0.2850 0.2011 -0.0010 -0.0022 0.0141  363 PHE B CD2 
2709 C CE1 . PHE C 119 ? 0.2091 0.2916 0.2197 0.0009  -0.0004 0.0099  363 PHE B CE1 
2710 C CE2 . PHE C 119 ? 0.2023 0.2866 0.2136 0.0000  -0.0011 0.0156  363 PHE B CE2 
2711 C CZ  . PHE C 119 ? 0.1954 0.2740 0.2070 0.0010  -0.0002 0.0134  363 PHE B CZ  
2712 N N   . PRO C 120 ? 0.2653 0.3989 0.2744 -0.0069 -0.0033 0.0070  364 PRO B N   
2713 C CA  . PRO C 120 ? 0.3060 0.4523 0.3145 -0.0093 -0.0038 0.0069  364 PRO B CA  
2714 C C   . PRO C 120 ? 0.3185 0.4681 0.3266 -0.0106 -0.0045 0.0098  364 PRO B C   
2715 O O   . PRO C 120 ? 0.3559 0.4974 0.3649 -0.0097 -0.0042 0.0129  364 PRO B O   
2716 C CB  . PRO C 120 ? 0.3103 0.4621 0.3220 -0.0126 -0.0024 0.0115  364 PRO B CB  
2717 C CG  . PRO C 120 ? 0.3029 0.4438 0.3175 -0.0122 -0.0009 0.0158  364 PRO B CG  
2718 C CD  . PRO C 120 ? 0.2812 0.4113 0.2937 -0.0085 -0.0014 0.0115  364 PRO B CD  
2719 N N   . ALA D 10  ? 0.7181 0.7461 0.7978 -0.0185 0.0042  0.0641  254 ALA D N   
2720 C CA  . ALA D 10  ? 0.6937 0.7302 0.7747 -0.0178 0.0063  0.0677  254 ALA D CA  
2721 C C   . ALA D 10  ? 0.6531 0.6936 0.7268 -0.0145 0.0066  0.0647  254 ALA D C   
2722 O O   . ALA D 10  ? 0.6117 0.6493 0.6816 -0.0143 0.0048  0.0595  254 ALA D O   
2723 C CB  . ALA D 10  ? 0.6464 0.6853 0.7345 -0.0214 0.0055  0.0683  254 ALA D CB  
2724 N N   . SER D 11  ? 0.6509 0.6982 0.7228 -0.0119 0.0091  0.0683  255 SER D N   
2725 C CA  . SER D 11  ? 0.6426 0.6947 0.7085 -0.0088 0.0097  0.0660  255 SER D CA  
2726 C C   . SER D 11  ? 0.6104 0.6681 0.6788 -0.0096 0.0099  0.0663  255 SER D C   
2727 O O   . SER D 11  ? 0.5929 0.6544 0.6566 -0.0070 0.0104  0.0646  255 SER D O   
2728 C CB  . SER D 11  ? 0.6582 0.7148 0.7205 -0.0052 0.0120  0.0692  255 SER D CB  
2729 O OG  . SER D 11  ? 0.6657 0.7251 0.7330 -0.0057 0.0140  0.0756  255 SER D OG  
2730 N N   . LYS D 12  ? 0.6134 0.6715 0.6891 -0.0130 0.0094  0.0685  256 LYS D N   
2731 C CA  . LYS D 12  ? 0.6324 0.6961 0.7113 -0.0140 0.0092  0.0686  256 LYS D CA  
2732 C C   . LYS D 12  ? 0.5692 0.6300 0.6446 -0.0140 0.0068  0.0626  256 LYS D C   
2733 O O   . LYS D 12  ? 0.5149 0.5806 0.5895 -0.0129 0.0069  0.0616  256 LYS D O   
2734 C CB  . LYS D 12  ? 0.7091 0.7738 0.7976 -0.0181 0.0090  0.0718  256 LYS D CB  
2735 C CG  . LYS D 12  ? 0.7948 0.8627 0.8879 -0.0186 0.0118  0.0786  256 LYS D CG  
2736 C CD  . LYS D 12  ? 0.8337 0.9015 0.9372 -0.0233 0.0116  0.0816  256 LYS D CD  
2737 C CE  . LYS D 12  ? 0.8772 0.9361 0.9833 -0.0266 0.0086  0.0777  256 LYS D CE  
2738 N NZ  . LYS D 12  ? 0.8909 0.9479 1.0066 -0.0309 0.0089  0.0813  256 LYS D NZ  
2739 N N   . LYS D 13  ? 0.4999 0.5530 0.5734 -0.0149 0.0048  0.0588  257 LYS D N   
2740 C CA  . LYS D 13  ? 0.4396 0.4896 0.5099 -0.0148 0.0027  0.0534  257 LYS D CA  
2741 C C   . LYS D 13  ? 0.3438 0.3959 0.4067 -0.0112 0.0038  0.0514  257 LYS D C   
2742 O O   . LYS D 13  ? 0.3029 0.3558 0.3619 -0.0089 0.0055  0.0523  257 LYS D O   
2743 C CB  . LYS D 13  ? 0.4769 0.5185 0.5460 -0.0160 0.0007  0.0499  257 LYS D CB  
2744 C CG  . LYS D 13  ? 0.5166 0.5551 0.5929 -0.0196 -0.0004 0.0515  257 LYS D CG  
2745 C CD  . LYS D 13  ? 0.5646 0.5965 0.6411 -0.0212 -0.0034 0.0468  257 LYS D CD  
2746 C CE  . LYS D 13  ? 0.6205 0.6521 0.7054 -0.0250 -0.0051 0.0476  257 LYS D CE  
2747 N NZ  . LYS D 13  ? 0.6803 0.7075 0.7648 -0.0260 -0.0082 0.0423  257 LYS D NZ  
2748 N N   . PRO D 14  ? 0.2720 0.3247 0.3327 -0.0104 0.0029  0.0482  258 PRO D N   
2749 C CA  . PRO D 14  ? 0.2449 0.2967 0.2981 -0.0073 0.0037  0.0452  258 PRO D CA  
2750 C C   . PRO D 14  ? 0.2061 0.2512 0.2550 -0.0069 0.0034  0.0425  258 PRO D C   
2751 O O   . PRO D 14  ? 0.1856 0.2257 0.2363 -0.0089 0.0018  0.0412  258 PRO D O   
2752 C CB  . PRO D 14  ? 0.2422 0.2939 0.2948 -0.0072 0.0022  0.0424  258 PRO D CB  
2753 C CG  . PRO D 14  ? 0.2597 0.3161 0.3200 -0.0097 0.0012  0.0449  258 PRO D CG  
2754 C CD  . PRO D 14  ? 0.2777 0.3312 0.3428 -0.0126 0.0008  0.0470  258 PRO D CD  
2755 N N   . ARG D 15  ? 0.1949 0.2403 0.2385 -0.0044 0.0049  0.0415  259 ARG D N   
2756 C CA  . ARG D 15  ? 0.2084 0.2489 0.2483 -0.0039 0.0049  0.0390  259 ARG D CA  
2757 C C   . ARG D 15  ? 0.1677 0.2016 0.2068 -0.0054 0.0031  0.0354  259 ARG D C   
2758 O O   . ARG D 15  ? 0.1615 0.1915 0.2015 -0.0065 0.0023  0.0348  259 ARG D O   
2759 C CB  . ARG D 15  ? 0.2391 0.2810 0.2733 -0.0011 0.0066  0.0372  259 ARG D CB  
2760 C CG  . ARG D 15  ? 0.2870 0.3261 0.3180 -0.0003 0.0069  0.0350  259 ARG D CG  
2761 C CD  . ARG D 15  ? 0.3399 0.3813 0.3662 0.0022  0.0084  0.0330  259 ARG D CD  
2762 N NE  . ARG D 15  ? 0.4010 0.4402 0.4246 0.0027  0.0086  0.0303  259 ARG D NE  
2763 C CZ  . ARG D 15  ? 0.4183 0.4532 0.4385 0.0027  0.0088  0.0260  259 ARG D CZ  
2764 N NH1 . ARG D 15  ? 0.5092 0.5414 0.5272 0.0029  0.0092  0.0239  259 ARG D NH1 
2765 N NH2 . ARG D 15  ? 0.3433 0.3769 0.3625 0.0027  0.0087  0.0239  259 ARG D NH2 
2766 N N   . GLN D 16  ? 0.1513 0.1841 0.1887 -0.0050 0.0026  0.0331  260 GLN D N   
2767 C CA  . GLN D 16  ? 0.1458 0.1727 0.1813 -0.0056 0.0012  0.0296  260 GLN D CA  
2768 C C   . GLN D 16  ? 0.1536 0.1782 0.1939 -0.0081 -0.0009 0.0299  260 GLN D C   
2769 O O   . GLN D 16  ? 0.1420 0.1616 0.1809 -0.0086 -0.0021 0.0272  260 GLN D O   
2770 C CB  . GLN D 16  ? 0.1455 0.1720 0.1779 -0.0043 0.0011  0.0275  260 GLN D CB  
2771 C CG  . GLN D 16  ? 0.1477 0.1786 0.1838 -0.0047 0.0000  0.0290  260 GLN D CG  
2772 C CD  . GLN D 16  ? 0.1484 0.1859 0.1853 -0.0034 0.0015  0.0318  260 GLN D CD  
2773 O OE1 . GLN D 16  ? 0.1469 0.1865 0.1827 -0.0024 0.0033  0.0334  260 GLN D OE1 
2774 N NE2 . GLN D 16  ? 0.1646 0.2059 0.2034 -0.0031 0.0008  0.0323  260 GLN D NE2 
2775 N N   . LYS D 17  ? 0.1545 0.1828 0.2007 -0.0098 -0.0014 0.0332  261 LYS D N   
2776 C CA  . LYS D 17  ? 0.1731 0.1990 0.2245 -0.0124 -0.0034 0.0334  261 LYS D CA  
2777 C C   . LYS D 17  ? 0.1733 0.1972 0.2272 -0.0135 -0.0030 0.0357  261 LYS D C   
2778 O O   . LYS D 17  ? 0.1826 0.2032 0.2406 -0.0156 -0.0047 0.0358  261 LYS D O   
2779 C CB  . LYS D 17  ? 0.1786 0.2093 0.2359 -0.0142 -0.0044 0.0352  261 LYS D CB  
2780 C CG  . LYS D 17  ? 0.1784 0.2111 0.2337 -0.0130 -0.0053 0.0328  261 LYS D CG  
2781 C CD  . LYS D 17  ? 0.1696 0.1966 0.2213 -0.0125 -0.0071 0.0283  261 LYS D CD  
2782 C CE  . LYS D 17  ? 0.1658 0.1957 0.2171 -0.0116 -0.0084 0.0266  261 LYS D CE  
2783 N NZ  . LYS D 17  ? 0.1546 0.1798 0.2012 -0.0102 -0.0097 0.0226  261 LYS D NZ  
2784 N N   . ARG D 18  ? 0.1775 0.2029 0.2287 -0.0118 -0.0011 0.0374  262 ARG D N   
2785 C CA  . ARG D 18  ? 0.1871 0.2110 0.2402 -0.0122 -0.0006 0.0399  262 ARG D CA  
2786 C C   . ARG D 18  ? 0.1962 0.2133 0.2479 -0.0125 -0.0020 0.0370  262 ARG D C   
2787 O O   . ARG D 18  ? 0.1740 0.1883 0.2213 -0.0115 -0.0024 0.0330  262 ARG D O   
2788 C CB  . ARG D 18  ? 0.2054 0.2330 0.2551 -0.0096 0.0016  0.0416  262 ARG D CB  
2789 C CG  . ARG D 18  ? 0.2256 0.2602 0.2772 -0.0090 0.0032  0.0454  262 ARG D CG  
2790 C CD  . ARG D 18  ? 0.2476 0.2864 0.2952 -0.0060 0.0052  0.0464  262 ARG D CD  
2791 N NE  . ARG D 18  ? 0.2634 0.3090 0.3125 -0.0052 0.0065  0.0494  262 ARG D NE  
2792 C CZ  . ARG D 18  ? 0.2706 0.3214 0.3165 -0.0024 0.0083  0.0505  262 ARG D CZ  
2793 N NH1 . ARG D 18  ? 0.2628 0.3135 0.3044 -0.0002 0.0089  0.0492  262 ARG D NH1 
2794 N NH2 . ARG D 18  ? 0.2954 0.3521 0.3426 -0.0017 0.0093  0.0528  262 ARG D NH2 
2795 N N   . THR D 19  ? 0.1969 0.2114 0.2523 -0.0136 -0.0023 0.0391  263 THR D N   
2796 C CA  . THR D 19  ? 0.2112 0.2196 0.2650 -0.0134 -0.0034 0.0370  263 THR D CA  
2797 C C   . THR D 19  ? 0.2103 0.2194 0.2634 -0.0117 -0.0018 0.0399  263 THR D C   
2798 O O   . THR D 19  ? 0.1927 0.2029 0.2499 -0.0124 -0.0010 0.0443  263 THR D O   
2799 C CB  . THR D 19  ? 0.2411 0.2446 0.2997 -0.0159 -0.0055 0.0364  263 THR D CB  
2800 O OG1 . THR D 19  ? 0.2600 0.2642 0.3191 -0.0170 -0.0070 0.0337  263 THR D OG1 
2801 C CG2 . THR D 19  ? 0.2515 0.2486 0.3083 -0.0154 -0.0068 0.0336  263 THR D CG2 
2802 N N   . ALA D 20  ? 0.1815 0.1904 0.2296 -0.0095 -0.0013 0.0376  264 ALA D N   
2803 C CA  . ALA D 20  ? 0.1893 0.1994 0.2363 -0.0075 -0.0001 0.0399  264 ALA D CA  
2804 C C   . ALA D 20  ? 0.1962 0.2003 0.2453 -0.0080 -0.0012 0.0402  264 ALA D C   
2805 O O   . ALA D 20  ? 0.1785 0.1776 0.2274 -0.0089 -0.0029 0.0368  264 ALA D O   
2806 C CB  . ALA D 20  ? 0.1785 0.1910 0.2202 -0.0051 0.0006  0.0370  264 ALA D CB  
2807 N N   . THR D 21  ? 0.2024 0.2071 0.2534 -0.0070 -0.0001 0.0447  265 THR D N   
2808 C CA  . THR D 21  ? 0.2183 0.2176 0.2710 -0.0067 -0.0006 0.0459  265 THR D CA  
2809 C C   . THR D 21  ? 0.2349 0.2376 0.2853 -0.0034 0.0010  0.0490  265 THR D C   
2810 O O   . THR D 21  ? 0.2140 0.2232 0.2621 -0.0017 0.0024  0.0502  265 THR D O   
2811 C CB  . THR D 21  ? 0.2251 0.2208 0.2841 -0.0095 -0.0010 0.0493  265 THR D CB  
2812 O OG1 . THR D 21  ? 0.2234 0.2248 0.2843 -0.0092 0.0011  0.0544  265 THR D OG1 
2813 C CG2 . THR D 21  ? 0.2374 0.2308 0.2991 -0.0127 -0.0029 0.0462  265 THR D CG2 
2814 N N   . LYS D 22  ? 0.2685 0.2668 0.3195 -0.0022 0.0009  0.0506  266 LYS D N   
2815 C CA  . LYS D 22  ? 0.3111 0.3127 0.3604 0.0011  0.0026  0.0545  266 LYS D CA  
2816 C C   . LYS D 22  ? 0.2930 0.2996 0.3446 0.0012  0.0047  0.0602  266 LYS D C   
2817 O O   . LYS D 22  ? 0.2702 0.2833 0.3189 0.0042  0.0062  0.0621  266 LYS D O   
2818 C CB  . LYS D 22  ? 0.3844 0.3796 0.4350 0.0022  0.0023  0.0564  266 LYS D CB  
2819 C CG  . LYS D 22  ? 0.4588 0.4527 0.5052 0.0050  0.0013  0.0528  266 LYS D CG  
2820 C CD  . LYS D 22  ? 0.5666 0.5545 0.6140 0.0068  0.0014  0.0554  266 LYS D CD  
2821 C CE  . LYS D 22  ? 0.6541 0.6447 0.7016 0.0098  0.0036  0.0618  266 LYS D CE  
2822 N NZ  . LYS D 22  ? 0.6977 0.6943 0.7402 0.0144  0.0041  0.0613  266 LYS D NZ  
2823 N N   . ALA D 23  ? 0.2908 0.2948 0.3479 -0.0020 0.0048  0.0628  267 ALA D N   
2824 C CA  . ALA D 23  ? 0.3002 0.3090 0.3603 -0.0024 0.0070  0.0685  267 ALA D CA  
2825 C C   . ALA D 23  ? 0.2819 0.2985 0.3395 -0.0019 0.0076  0.0671  267 ALA D C   
2826 O O   . ALA D 23  ? 0.2733 0.2962 0.3308 -0.0002 0.0097  0.0713  267 ALA D O   
2827 C CB  . ALA D 23  ? 0.3026 0.3066 0.3698 -0.0066 0.0067  0.0707  267 ALA D CB  
2828 N N   . TYR D 24  ? 0.2584 0.2747 0.3140 -0.0031 0.0058  0.0614  268 TYR D N   
2829 C CA  . TYR D 24  ? 0.2459 0.2686 0.2994 -0.0028 0.0063  0.0599  268 TYR D CA  
2830 C C   . TYR D 24  ? 0.2329 0.2549 0.2814 -0.0020 0.0050  0.0536  268 TYR D C   
2831 O O   . TYR D 24  ? 0.2030 0.2212 0.2519 -0.0041 0.0034  0.0498  268 TYR D O   
2832 C CB  . TYR D 24  ? 0.2475 0.2704 0.3059 -0.0063 0.0060  0.0608  268 TYR D CB  
2833 C CG  . TYR D 24  ? 0.2423 0.2716 0.2989 -0.0058 0.0067  0.0598  268 TYR D CG  
2834 C CD1 . TYR D 24  ? 0.2504 0.2869 0.3047 -0.0030 0.0087  0.0626  268 TYR D CD1 
2835 C CD2 . TYR D 24  ? 0.2415 0.2697 0.2984 -0.0078 0.0052  0.0560  268 TYR D CD2 
2836 C CE1 . TYR D 24  ? 0.2504 0.2923 0.3029 -0.0024 0.0093  0.0615  268 TYR D CE1 
2837 C CE2 . TYR D 24  ? 0.2430 0.2765 0.2981 -0.0072 0.0058  0.0552  268 TYR D CE2 
2838 C CZ  . TYR D 24  ? 0.2431 0.2833 0.2961 -0.0045 0.0079  0.0578  268 TYR D CZ  
2839 O OH  . TYR D 24  ? 0.2434 0.2882 0.2947 -0.0037 0.0084  0.0567  268 TYR D OH  
2840 N N   . ASN D 25  ? 0.2220 0.2481 0.2660 0.0012  0.0057  0.0527  269 ASN D N   
2841 C CA  . ASN D 25  ? 0.2150 0.2394 0.2551 0.0020  0.0046  0.0473  269 ASN D CA  
2842 C C   . ASN D 25  ? 0.2010 0.2283 0.2383 0.0018  0.0046  0.0434  269 ASN D C   
2843 O O   . ASN D 25  ? 0.1893 0.2197 0.2274 0.0012  0.0054  0.0447  269 ASN D O   
2844 C CB  . ASN D 25  ? 0.2225 0.2491 0.2599 0.0054  0.0051  0.0477  269 ASN D CB  
2845 C CG  . ASN D 25  ? 0.2268 0.2614 0.2614 0.0084  0.0065  0.0489  269 ASN D CG  
2846 O OD1 . ASN D 25  ? 0.2232 0.2614 0.2560 0.0083  0.0067  0.0465  269 ASN D OD1 
2847 N ND2 . ASN D 25  ? 0.2555 0.2930 0.2895 0.0114  0.0074  0.0526  269 ASN D ND2 
2848 N N   . VAL D 26  ? 0.1921 0.2181 0.2263 0.0022  0.0040  0.0385  270 VAL D N   
2849 C CA  . VAL D 26  ? 0.1793 0.2059 0.2112 0.0015  0.0040  0.0345  270 VAL D CA  
2850 C C   . VAL D 26  ? 0.1932 0.2265 0.2229 0.0034  0.0053  0.0350  270 VAL D C   
2851 O O   . VAL D 26  ? 0.1961 0.2303 0.2250 0.0028  0.0057  0.0339  270 VAL D O   
2852 C CB  . VAL D 26  ? 0.1735 0.1972 0.2029 0.0015  0.0033  0.0295  270 VAL D CB  
2853 C CG1 . VAL D 26  ? 0.1670 0.1918 0.1936 0.0012  0.0039  0.0257  270 VAL D CG1 
2854 C CG2 . VAL D 26  ? 0.1729 0.1900 0.2040 -0.0002 0.0019  0.0286  270 VAL D CG2 
2855 N N   . THR D 27  ? 0.1984 0.2363 0.2270 0.0061  0.0060  0.0366  271 THR D N   
2856 C CA  . THR D 27  ? 0.2265 0.2712 0.2527 0.0085  0.0071  0.0369  271 THR D CA  
2857 C C   . THR D 27  ? 0.2437 0.2908 0.2720 0.0082  0.0081  0.0415  271 THR D C   
2858 O O   . THR D 27  ? 0.2601 0.3105 0.2870 0.0088  0.0088  0.0408  271 THR D O   
2859 C CB  . THR D 27  ? 0.2396 0.2891 0.2640 0.0118  0.0074  0.0378  271 THR D CB  
2860 O OG1 . THR D 27  ? 0.2588 0.3066 0.2818 0.0117  0.0064  0.0330  271 THR D OG1 
2861 C CG2 . THR D 27  ? 0.2350 0.2922 0.2568 0.0148  0.0084  0.0380  271 THR D CG2 
2862 N N   . GLN D 28  ? 0.2422 0.2876 0.2742 0.0074  0.0082  0.0462  272 GLN D N   
2863 C CA  . GLN D 28  ? 0.2605 0.3087 0.2953 0.0070  0.0094  0.0511  272 GLN D CA  
2864 C C   . GLN D 28  ? 0.2311 0.2774 0.2677 0.0042  0.0089  0.0496  272 GLN D C   
2865 O O   . GLN D 28  ? 0.2252 0.2759 0.2621 0.0047  0.0099  0.0512  272 GLN D O   
2866 C CB  . GLN D 28  ? 0.2790 0.3249 0.3180 0.0062  0.0098  0.0563  272 GLN D CB  
2867 C CG  . GLN D 28  ? 0.3052 0.3536 0.3425 0.0095  0.0106  0.0591  272 GLN D CG  
2868 C CD  . GLN D 28  ? 0.3378 0.3820 0.3792 0.0086  0.0110  0.0640  272 GLN D CD  
2869 O OE1 . GLN D 28  ? 0.3461 0.3836 0.3891 0.0069  0.0097  0.0624  272 GLN D OE1 
2870 N NE2 . GLN D 28  ? 0.3861 0.4341 0.4296 0.0098  0.0130  0.0701  272 GLN D NE2 
2871 N N   . ALA D 29  ? 0.2303 0.2703 0.2676 0.0018  0.0074  0.0463  273 ALA D N   
2872 C CA  . ALA D 29  ? 0.2140 0.2518 0.2529 -0.0005 0.0066  0.0449  273 ALA D CA  
2873 C C   . ALA D 29  ? 0.2006 0.2394 0.2352 0.0004  0.0068  0.0406  273 ALA D C   
2874 O O   . ALA D 29  ? 0.1820 0.2223 0.2169 0.0000  0.0071  0.0407  273 ALA D O   
2875 C CB  . ALA D 29  ? 0.2265 0.2575 0.2678 -0.0031 0.0049  0.0434  273 ALA D CB  
2876 N N   . PHE D 30  ? 0.1993 0.2373 0.2300 0.0017  0.0068  0.0369  274 PHE D N   
2877 C CA  . PHE D 30  ? 0.1892 0.2260 0.2166 0.0018  0.0070  0.0324  274 PHE D CA  
2878 C C   . PHE D 30  ? 0.1919 0.2324 0.2155 0.0042  0.0079  0.0301  274 PHE D C   
2879 O O   . PHE D 30  ? 0.2014 0.2404 0.2223 0.0042  0.0082  0.0262  274 PHE D O   
2880 C CB  . PHE D 30  ? 0.1725 0.2028 0.1994 0.0001  0.0059  0.0289  274 PHE D CB  
2881 C CG  . PHE D 30  ? 0.1647 0.1912 0.1949 -0.0020 0.0046  0.0303  274 PHE D CG  
2882 C CD1 . PHE D 30  ? 0.1626 0.1896 0.1942 -0.0029 0.0044  0.0313  274 PHE D CD1 
2883 C CD2 . PHE D 30  ? 0.1680 0.1904 0.1999 -0.0030 0.0034  0.0303  274 PHE D CD2 
2884 C CE1 . PHE D 30  ? 0.1584 0.1825 0.1934 -0.0049 0.0030  0.0320  274 PHE D CE1 
2885 C CE2 . PHE D 30  ? 0.1684 0.1872 0.2036 -0.0051 0.0020  0.0310  274 PHE D CE2 
2886 C CZ  . PHE D 30  ? 0.1650 0.1849 0.2018 -0.0061 0.0017  0.0319  274 PHE D CZ  
2887 N N   . GLY D 31  ? 0.2165 0.2620 0.2399 0.0063  0.0084  0.0323  275 GLY D N   
2888 C CA  . GLY D 31  ? 0.2143 0.2643 0.2344 0.0088  0.0090  0.0298  275 GLY D CA  
2889 C C   . GLY D 31  ? 0.2248 0.2736 0.2438 0.0090  0.0083  0.0265  275 GLY D C   
2890 O O   . GLY D 31  ? 0.2057 0.2494 0.2259 0.0071  0.0075  0.0253  275 GLY D O   
2891 N N   . ARG D 32  ? 0.2512 0.3054 0.2680 0.0115  0.0086  0.0248  276 ARG D N   
2892 C CA  . ARG D 32  ? 0.2578 0.3122 0.2736 0.0119  0.0079  0.0210  276 ARG D CA  
2893 C C   . ARG D 32  ? 0.2269 0.2761 0.2422 0.0094  0.0078  0.0161  276 ARG D C   
2894 O O   . ARG D 32  ? 0.2121 0.2590 0.2266 0.0085  0.0085  0.0149  276 ARG D O   
2895 C CB  . ARG D 32  ? 0.3452 0.4071 0.3587 0.0152  0.0079  0.0196  276 ARG D CB  
2896 C CG  . ARG D 32  ? 0.4289 0.4932 0.4400 0.0159  0.0083  0.0149  276 ARG D CG  
2897 C CD  . ARG D 32  ? 0.5164 0.5879 0.5257 0.0189  0.0077  0.0120  276 ARG D CD  
2898 N NE  . ARG D 32  ? 0.5637 0.6406 0.5728 0.0221  0.0075  0.0164  276 ARG D NE  
2899 C CZ  . ARG D 32  ? 0.6104 0.6908 0.6195 0.0238  0.0066  0.0158  276 ARG D CZ  
2900 N NH1 . ARG D 32  ? 0.7617 0.8427 0.7707 0.0232  0.0057  0.0101  276 ARG D NH1 
2901 N NH2 . ARG D 32  ? 0.5776 0.6610 0.5866 0.0264  0.0068  0.0209  276 ARG D NH2 
2902 N N   . ARG D 33  ? 0.1984 0.2456 0.2143 0.0086  0.0072  0.0135  277 ARG D N   
2903 C CA  . ARG D 33  ? 0.1872 0.2303 0.2028 0.0064  0.0074  0.0089  277 ARG D CA  
2904 C C   . ARG D 33  ? 0.1965 0.2433 0.2103 0.0073  0.0080  0.0046  277 ARG D C   
2905 O O   . ARG D 33  ? 0.2020 0.2552 0.2152 0.0097  0.0075  0.0041  277 ARG D O   
2906 C CB  . ARG D 33  ? 0.1794 0.2209 0.1961 0.0057  0.0068  0.0070  277 ARG D CB  
2907 C CG  . ARG D 33  ? 0.1879 0.2267 0.2063 0.0055  0.0059  0.0106  277 ARG D CG  
2908 C CD  . ARG D 33  ? 0.1800 0.2130 0.1993 0.0037  0.0058  0.0128  277 ARG D CD  
2909 N NE  . ARG D 33  ? 0.1734 0.2074 0.1930 0.0040  0.0061  0.0164  277 ARG D NE  
2910 C CZ  . ARG D 33  ? 0.1770 0.2067 0.1968 0.0023  0.0063  0.0167  277 ARG D CZ  
2911 N NH1 . ARG D 33  ? 0.1775 0.2022 0.1971 0.0007  0.0061  0.0143  277 ARG D NH1 
2912 N NH2 . ARG D 33  ? 0.1753 0.2065 0.1954 0.0025  0.0067  0.0193  277 ARG D NH2 
2913 N N   . GLY D 34  ? 0.2095 0.2525 0.2226 0.0056  0.0089  0.0013  278 GLY D N   
2914 C CA  . GLY D 34  ? 0.2144 0.2601 0.2263 0.0061  0.0094  -0.0031 278 GLY D CA  
2915 C C   . GLY D 34  ? 0.2393 0.2790 0.2508 0.0037  0.0107  -0.0066 278 GLY D C   
2916 O O   . GLY D 34  ? 0.2151 0.2489 0.2269 0.0020  0.0113  -0.0052 278 GLY D O   
2917 N N   . PRO D 35  ? 0.2639 0.3050 0.2748 0.0037  0.0113  -0.0111 279 PRO D N   
2918 C CA  . PRO D 35  ? 0.2998 0.3350 0.3107 0.0014  0.0129  -0.0146 279 PRO D CA  
2919 C C   . PRO D 35  ? 0.3278 0.3588 0.3363 0.0019  0.0142  -0.0134 279 PRO D C   
2920 O O   . PRO D 35  ? 0.3150 0.3399 0.3229 0.0003  0.0158  -0.0151 279 PRO D O   
2921 C CB  . PRO D 35  ? 0.3065 0.3458 0.3184 0.0013  0.0128  -0.0201 279 PRO D CB  
2922 C CG  . PRO D 35  ? 0.3160 0.3628 0.3264 0.0046  0.0114  -0.0192 279 PRO D CG  
2923 C CD  . PRO D 35  ? 0.3002 0.3489 0.3108 0.0059  0.0104  -0.0135 279 PRO D CD  
2924 N N   . GLU D 36  ? 0.3587 0.3931 0.3657 0.0043  0.0136  -0.0101 280 GLU D N   
2925 C CA  . GLU D 36  ? 0.4169 0.4485 0.4215 0.0054  0.0147  -0.0093 280 GLU D CA  
2926 C C   . GLU D 36  ? 0.4058 0.4313 0.4102 0.0041  0.0154  -0.0064 280 GLU D C   
2927 O O   . GLU D 36  ? 0.3660 0.3909 0.3718 0.0033  0.0146  -0.0037 280 GLU D O   
2928 C CB  . GLU D 36  ? 0.4519 0.4896 0.4553 0.0084  0.0140  -0.0063 280 GLU D CB  
2929 C CG  . GLU D 36  ? 0.5109 0.5559 0.5139 0.0105  0.0131  -0.0086 280 GLU D CG  
2930 C CD  . GLU D 36  ? 0.5890 0.6340 0.5900 0.0115  0.0137  -0.0135 280 GLU D CD  
2931 O OE1 . GLU D 36  ? 0.6126 0.6520 0.6139 0.0093  0.0148  -0.0175 280 GLU D OE1 
2932 O OE2 . GLU D 36  ? 0.6630 0.7141 0.6623 0.0146  0.0132  -0.0132 280 GLU D OE2 
2933 N N   . GLN D 37  ? 0.4398 0.4608 0.4420 0.0045  0.0169  -0.0071 281 GLN D N   
2934 C CA  . GLN D 37  ? 0.4513 0.4664 0.4526 0.0038  0.0177  -0.0049 281 GLN D CA  
2935 C C   . GLN D 37  ? 0.4148 0.4327 0.4167 0.0048  0.0165  -0.0001 281 GLN D C   
2936 O O   . GLN D 37  ? 0.3946 0.4092 0.3971 0.0038  0.0162  0.0018  281 GLN D O   
2937 C CB  . GLN D 37  ? 0.5474 0.5583 0.5458 0.0049  0.0196  -0.0066 281 GLN D CB  
2938 C CG  . GLN D 37  ? 0.5985 0.6018 0.5955 0.0041  0.0211  -0.0060 281 GLN D CG  
2939 C CD  . GLN D 37  ? 0.6505 0.6500 0.6491 0.0014  0.0217  -0.0076 281 GLN D CD  
2940 O OE1 . GLN D 37  ? 0.7098 0.7054 0.7080 0.0008  0.0221  -0.0058 281 GLN D OE1 
2941 N NE2 . GLN D 37  ? 0.6115 0.6125 0.6119 0.0000  0.0218  -0.0111 281 GLN D NE2 
2942 N N   . THR D 38  ? 0.3840 0.4083 0.3862 0.0067  0.0156  0.0018  282 THR D N   
2943 C CA  . THR D 38  ? 0.3894 0.4170 0.3931 0.0073  0.0146  0.0065  282 THR D CA  
2944 C C   . THR D 38  ? 0.3366 0.3671 0.3432 0.0064  0.0132  0.0084  282 THR D C   
2945 O O   . THR D 38  ? 0.3348 0.3678 0.3432 0.0066  0.0124  0.0124  282 THR D O   
2946 C CB  . THR D 38  ? 0.4251 0.4581 0.4276 0.0101  0.0149  0.0081  282 THR D CB  
2947 O OG1 . THR D 38  ? 0.4671 0.5049 0.4694 0.0112  0.0146  0.0064  282 THR D OG1 
2948 C CG2 . THR D 38  ? 0.4376 0.4674 0.4370 0.0115  0.0164  0.0064  282 THR D CG2 
2949 N N   . GLN D 39  ? 0.2719 0.3021 0.2790 0.0055  0.0129  0.0057  283 GLN D N   
2950 C CA  . GLN D 39  ? 0.2379 0.2705 0.2473 0.0050  0.0116  0.0074  283 GLN D CA  
2951 C C   . GLN D 39  ? 0.2030 0.2301 0.2136 0.0027  0.0113  0.0068  283 GLN D C   
2952 O O   . GLN D 39  ? 0.2070 0.2295 0.2165 0.0016  0.0122  0.0038  283 GLN D O   
2953 C CB  . GLN D 39  ? 0.2328 0.2699 0.2421 0.0059  0.0113  0.0048  283 GLN D CB  
2954 C CG  . GLN D 39  ? 0.2505 0.2941 0.2585 0.0087  0.0114  0.0053  283 GLN D CG  
2955 C CD  . GLN D 39  ? 0.2543 0.3025 0.2618 0.0099  0.0109  0.0018  283 GLN D CD  
2956 O OE1 . GLN D 39  ? 0.2435 0.2897 0.2509 0.0086  0.0112  -0.0029 283 GLN D OE1 
2957 N NE2 . GLN D 39  ? 0.2570 0.3117 0.2646 0.0123  0.0102  0.0042  283 GLN D NE2 
2958 N N   . GLY D 40  ? 0.1824 0.2099 0.1953 0.0022  0.0100  0.0096  284 GLY D N   
2959 C CA  . GLY D 40  ? 0.1787 0.2020 0.1925 0.0006  0.0095  0.0086  284 GLY D CA  
2960 C C   . GLY D 40  ? 0.1642 0.1893 0.1784 0.0006  0.0094  0.0057  284 GLY D C   
2961 O O   . GLY D 40  ? 0.1659 0.1963 0.1802 0.0020  0.0091  0.0056  284 GLY D O   
2962 N N   . ASN D 41  ? 0.1609 0.1820 0.1752 -0.0008 0.0096  0.0033  285 ASN D N   
2963 C CA  . ASN D 41  ? 0.1414 0.1648 0.1564 -0.0009 0.0097  0.0002  285 ASN D CA  
2964 C C   . ASN D 41  ? 0.1305 0.1525 0.1470 -0.0013 0.0087  0.0009  285 ASN D C   
2965 O O   . ASN D 41  ? 0.1229 0.1468 0.1402 -0.0013 0.0086  -0.0014 285 ASN D O   
2966 C CB  . ASN D 41  ? 0.1386 0.1597 0.1528 -0.0022 0.0114  -0.0038 285 ASN D CB  
2967 C CG  . ASN D 41  ? 0.1444 0.1592 0.1581 -0.0037 0.0122  -0.0040 285 ASN D CG  
2968 O OD1 . ASN D 41  ? 0.1520 0.1640 0.1653 -0.0036 0.0115  -0.0012 285 ASN D OD1 
2969 N ND2 . ASN D 41  ? 0.1576 0.1706 0.1717 -0.0051 0.0135  -0.0072 285 ASN D ND2 
2970 N N   . PHE D 42  ? 0.1250 0.1440 0.1420 -0.0014 0.0077  0.0040  286 PHE D N   
2971 C CA  . PHE D 42  ? 0.1160 0.1323 0.1341 -0.0018 0.0068  0.0042  286 PHE D CA  
2972 C C   . PHE D 42  ? 0.1123 0.1309 0.1320 -0.0005 0.0054  0.0072  286 PHE D C   
2973 O O   . PHE D 42  ? 0.1026 0.1222 0.1230 -0.0001 0.0049  0.0106  286 PHE D O   
2974 C CB  . PHE D 42  ? 0.1186 0.1292 0.1361 -0.0028 0.0067  0.0049  286 PHE D CB  
2975 C CG  . PHE D 42  ? 0.1199 0.1269 0.1378 -0.0031 0.0058  0.0044  286 PHE D CG  
2976 C CD1 . PHE D 42  ? 0.1241 0.1287 0.1409 -0.0036 0.0069  0.0015  286 PHE D CD1 
2977 C CD2 . PHE D 42  ? 0.1233 0.1293 0.1428 -0.0027 0.0041  0.0067  286 PHE D CD2 
2978 C CE1 . PHE D 42  ? 0.1254 0.1270 0.1422 -0.0035 0.0062  0.0010  286 PHE D CE1 
2979 C CE2 . PHE D 42  ? 0.1261 0.1285 0.1458 -0.0026 0.0032  0.0059  286 PHE D CE2 
2980 C CZ  . PHE D 42  ? 0.1256 0.1262 0.1438 -0.0029 0.0042  0.0029  286 PHE D CZ  
2981 N N   . GLY D 43  ? 0.1107 0.1301 0.1311 0.0001  0.0049  0.0061  287 GLY D N   
2982 C CA  . GLY D 43  ? 0.1184 0.1388 0.1401 0.0015  0.0036  0.0089  287 GLY D CA  
2983 C C   . GLY D 43  ? 0.1214 0.1475 0.1431 0.0035  0.0035  0.0078  287 GLY D C   
2984 O O   . GLY D 43  ? 0.1146 0.1458 0.1357 0.0043  0.0041  0.0070  287 GLY D O   
2985 N N   . ASP D 44  ? 0.1327 0.1582 0.1550 0.0045  0.0028  0.0074  288 ASP D N   
2986 C CA  . ASP D 44  ? 0.1406 0.1717 0.1630 0.0070  0.0024  0.0074  288 ASP D CA  
2987 C C   . ASP D 44  ? 0.1517 0.1840 0.1744 0.0089  0.0019  0.0123  288 ASP D C   
2988 O O   . ASP D 44  ? 0.1556 0.1845 0.1789 0.0078  0.0020  0.0153  288 ASP D O   
2989 C CB  . ASP D 44  ? 0.1380 0.1684 0.1609 0.0077  0.0019  0.0053  288 ASP D CB  
2990 C CG  . ASP D 44  ? 0.1495 0.1743 0.1728 0.0083  0.0009  0.0078  288 ASP D CG  
2991 O OD1 . ASP D 44  ? 0.1413 0.1627 0.1652 0.0080  0.0006  0.0114  288 ASP D OD1 
2992 O OD2 . ASP D 44  ? 0.1549 0.1791 0.1784 0.0092  0.0006  0.0060  288 ASP D OD2 
2993 N N   . GLN D 45  ? 0.1548 0.1919 0.1773 0.0119  0.0015  0.0133  289 GLN D N   
2994 C CA  . GLN D 45  ? 0.1660 0.2048 0.1885 0.0141  0.0016  0.0183  289 GLN D CA  
2995 C C   . GLN D 45  ? 0.1647 0.1965 0.1887 0.0135  0.0011  0.0222  289 GLN D C   
2996 O O   . GLN D 45  ? 0.1692 0.1999 0.1941 0.0135  0.0015  0.0265  289 GLN D O   
2997 C CB  . GLN D 45  ? 0.1845 0.2303 0.2058 0.0180  0.0013  0.0185  289 GLN D CB  
2998 C CG  . GLN D 45  ? 0.1942 0.2477 0.2143 0.0187  0.0015  0.0146  289 GLN D CG  
2999 C CD  . GLN D 45  ? 0.2255 0.2869 0.2445 0.0227  0.0009  0.0142  289 GLN D CD  
3000 O OE1 . GLN D 45  ? 0.2709 0.3366 0.2902 0.0233  0.0003  0.0098  289 GLN D OE1 
3001 N NE2 . GLN D 45  ? 0.2293 0.2932 0.2473 0.0258  0.0012  0.0190  289 GLN D NE2 
3002 N N   . GLU D 46  ? 0.1773 0.2045 0.2017 0.0132  0.0004  0.0207  290 GLU D N   
3003 C CA  . GLU D 46  ? 0.1957 0.2157 0.2218 0.0126  -0.0001 0.0235  290 GLU D CA  
3004 C C   . GLU D 46  ? 0.1907 0.2057 0.2181 0.0093  -0.0002 0.0241  290 GLU D C   
3005 O O   . GLU D 46  ? 0.1804 0.1926 0.2098 0.0086  -0.0002 0.0280  290 GLU D O   
3006 C CB  . GLU D 46  ? 0.2306 0.2474 0.2563 0.0133  -0.0010 0.0207  290 GLU D CB  
3007 C CG  . GLU D 46  ? 0.2796 0.2891 0.3067 0.0136  -0.0018 0.0233  290 GLU D CG  
3008 C CD  . GLU D 46  ? 0.3291 0.3356 0.3555 0.0147  -0.0027 0.0202  290 GLU D CD  
3009 O OE1 . GLU D 46  ? 0.3182 0.3282 0.3434 0.0147  -0.0025 0.0162  290 GLU D OE1 
3010 O OE2 . GLU D 46  ? 0.3558 0.3563 0.3830 0.0155  -0.0035 0.0220  290 GLU D OE2 
3011 N N   . LEU D 47  ? 0.1792 0.1934 0.2058 0.0072  -0.0001 0.0203  291 LEU D N   
3012 C CA  . LEU D 47  ? 0.1755 0.1861 0.2031 0.0045  -0.0002 0.0207  291 LEU D CA  
3013 C C   . LEU D 47  ? 0.1648 0.1789 0.1932 0.0042  0.0005  0.0240  291 LEU D C   
3014 O O   . LEU D 47  ? 0.1463 0.1576 0.1768 0.0027  0.0002  0.0266  291 LEU D O   
3015 C CB  . LEU D 47  ? 0.1667 0.1765 0.1928 0.0028  0.0000  0.0165  291 LEU D CB  
3016 C CG  . LEU D 47  ? 0.1702 0.1773 0.1968 0.0006  0.0000  0.0169  291 LEU D CG  
3017 C CD1 . LEU D 47  ? 0.1837 0.1851 0.2124 -0.0003 -0.0014 0.0183  291 LEU D CD1 
3018 C CD2 . LEU D 47  ? 0.1801 0.1863 0.2046 -0.0004 0.0007  0.0131  291 LEU D CD2 
3019 N N   . ILE D 48  ? 0.1769 0.1974 0.2037 0.0058  0.0014  0.0237  292 ILE D N   
3020 C CA  . ILE D 48  ? 0.1881 0.2123 0.2153 0.0059  0.0023  0.0266  292 ILE D CA  
3021 C C   . ILE D 48  ? 0.1874 0.2109 0.2168 0.0068  0.0024  0.0321  292 ILE D C   
3022 O O   . ILE D 48  ? 0.1798 0.2033 0.2111 0.0056  0.0029  0.0353  292 ILE D O   
3023 C CB  . ILE D 48  ? 0.1969 0.2283 0.2217 0.0080  0.0031  0.0250  292 ILE D CB  
3024 C CG1 . ILE D 48  ? 0.1922 0.2237 0.2154 0.0065  0.0034  0.0200  292 ILE D CG1 
3025 C CG2 . ILE D 48  ? 0.2210 0.2569 0.2459 0.0092  0.0040  0.0289  292 ILE D CG2 
3026 C CD1 . ILE D 48  ? 0.2031 0.2413 0.2245 0.0083  0.0039  0.0175  292 ILE D CD1 
3027 N N   . ARG D 49  ? 0.2046 0.2278 0.2339 0.0089  0.0021  0.0334  293 ARG D N   
3028 C CA  . ARG D 49  ? 0.2209 0.2435 0.2520 0.0103  0.0026  0.0389  293 ARG D CA  
3029 C C   . ARG D 49  ? 0.2076 0.2226 0.2423 0.0076  0.0019  0.0408  293 ARG D C   
3030 O O   . ARG D 49  ? 0.2152 0.2293 0.2526 0.0072  0.0026  0.0456  293 ARG D O   
3031 C CB  . ARG D 49  ? 0.2627 0.2869 0.2921 0.0137  0.0024  0.0388  293 ARG D CB  
3032 C CG  . ARG D 49  ? 0.3527 0.3754 0.3832 0.0160  0.0030  0.0443  293 ARG D CG  
3033 C CD  . ARG D 49  ? 0.4150 0.4400 0.4433 0.0200  0.0027  0.0438  293 ARG D CD  
3034 N NE  . ARG D 49  ? 0.4652 0.4839 0.4939 0.0197  0.0014  0.0414  293 ARG D NE  
3035 C CZ  . ARG D 49  ? 0.5350 0.5552 0.5618 0.0208  0.0005  0.0367  293 ARG D CZ  
3036 N NH1 . ARG D 49  ? 0.5464 0.5740 0.5713 0.0216  0.0006  0.0331  293 ARG D NH1 
3037 N NH2 . ARG D 49  ? 0.5773 0.5918 0.6046 0.0210  -0.0003 0.0355  293 ARG D NH2 
3038 N N   A GLN D 50  ? 0.1885 0.1982 0.2233 0.0057  0.0006  0.0369  294 GLN D N   
3039 N N   B GLN D 50  ? 0.1976 0.2073 0.2323 0.0058  0.0005  0.0369  294 GLN D N   
3040 C CA  A GLN D 50  ? 0.1849 0.1873 0.2228 0.0036  -0.0004 0.0379  294 GLN D CA  
3041 C CA  B GLN D 50  ? 0.2008 0.2031 0.2386 0.0037  -0.0005 0.0376  294 GLN D CA  
3042 C C   A GLN D 50  ? 0.1809 0.1810 0.2202 0.0003  -0.0012 0.0358  294 GLN D C   
3043 C C   B GLN D 50  ? 0.1904 0.1911 0.2299 0.0004  -0.0010 0.0363  294 GLN D C   
3044 O O   A GLN D 50  ? 0.1783 0.1733 0.2209 -0.0016 -0.0022 0.0365  294 GLN D O   
3045 O O   B GLN D 50  ? 0.1908 0.1873 0.2340 -0.0016 -0.0017 0.0381  294 GLN D O   
3046 C CB  A GLN D 50  ? 0.1831 0.1812 0.2199 0.0049  -0.0015 0.0354  294 GLN D CB  
3047 C CB  B GLN D 50  ? 0.2108 0.2084 0.2474 0.0044  -0.0018 0.0342  294 GLN D CB  
3048 C CG  A GLN D 50  ? 0.1879 0.1893 0.2228 0.0087  -0.0008 0.0369  294 GLN D CG  
3049 C CG  B GLN D 50  ? 0.2307 0.2290 0.2661 0.0078  -0.0015 0.0357  294 GLN D CG  
3050 C CD  A GLN D 50  ? 0.1915 0.1882 0.2258 0.0104  -0.0018 0.0355  294 GLN D CD  
3051 C CD  B GLN D 50  ? 0.2515 0.2463 0.2896 0.0085  -0.0010 0.0411  294 GLN D CD  
3052 O OE1 A GLN D 50  ? 0.2074 0.2029 0.2419 0.0129  -0.0015 0.0387  294 GLN D OE1 
3053 O OE1 B GLN D 50  ? 0.2771 0.2653 0.3184 0.0064  -0.0018 0.0421  294 GLN D OE1 
3054 N NE2 A GLN D 50  ? 0.1866 0.1806 0.2200 0.0093  -0.0029 0.0308  294 GLN D NE2 
3055 N NE2 B GLN D 50  ? 0.2693 0.2688 0.3063 0.0115  0.0002  0.0447  294 GLN D NE2 
3056 N N   . GLY D 51  ? 0.1764 0.1803 0.2135 0.0000  -0.0008 0.0331  295 GLY D N   
3057 C CA  . GLY D 51  ? 0.1741 0.1760 0.2120 -0.0025 -0.0015 0.0312  295 GLY D CA  
3058 C C   . GLY D 51  ? 0.1754 0.1706 0.2144 -0.0038 -0.0033 0.0288  295 GLY D C   
3059 O O   . GLY D 51  ? 0.1790 0.1718 0.2159 -0.0027 -0.0038 0.0260  295 GLY D O   
3060 N N   . THR D 52  ? 0.1807 0.1731 0.2232 -0.0061 -0.0043 0.0299  296 THR D N   
3061 C CA  . THR D 52  ? 0.1805 0.1669 0.2238 -0.0073 -0.0063 0.0270  296 THR D CA  
3062 C C   . THR D 52  ? 0.1901 0.1715 0.2351 -0.0066 -0.0071 0.0279  296 THR D C   
3063 O O   . THR D 52  ? 0.2185 0.1947 0.2641 -0.0073 -0.0089 0.0253  296 THR D O   
3064 C CB  . THR D 52  ? 0.1787 0.1645 0.2256 -0.0100 -0.0074 0.0273  296 THR D CB  
3065 O OG1 . THR D 52  ? 0.1795 0.1666 0.2310 -0.0112 -0.0068 0.0320  296 THR D OG1 
3066 C CG2 . THR D 52  ? 0.1729 0.1629 0.2177 -0.0102 -0.0068 0.0259  296 THR D CG2 
3067 N N   . ASP D 53  ? 0.2008 0.1836 0.2462 -0.0050 -0.0059 0.0315  297 ASP D N   
3068 C CA  . ASP D 53  ? 0.2095 0.1874 0.2557 -0.0036 -0.0064 0.0325  297 ASP D CA  
3069 C C   . ASP D 53  ? 0.2075 0.1861 0.2493 -0.0007 -0.0063 0.0295  297 ASP D C   
3070 O O   . ASP D 53  ? 0.2083 0.1832 0.2498 0.0009  -0.0068 0.0295  297 ASP D O   
3071 C CB  . ASP D 53  ? 0.2183 0.1972 0.2669 -0.0028 -0.0049 0.0382  297 ASP D CB  
3072 C CG  . ASP D 53  ? 0.2276 0.2055 0.2815 -0.0057 -0.0047 0.0418  297 ASP D CG  
3073 O OD1 . ASP D 53  ? 0.2381 0.2113 0.2950 -0.0083 -0.0064 0.0399  297 ASP D OD1 
3074 O OD2 . ASP D 53  ? 0.2506 0.2329 0.3058 -0.0054 -0.0028 0.0464  297 ASP D OD2 
3075 N N   . TYR D 54  ? 0.1981 0.1816 0.2366 -0.0002 -0.0056 0.0269  298 TYR D N   
3076 C CA  . TYR D 54  ? 0.1896 0.1745 0.2246 0.0019  -0.0054 0.0237  298 TYR D CA  
3077 C C   . TYR D 54  ? 0.1927 0.1716 0.2271 0.0021  -0.0070 0.0205  298 TYR D C   
3078 O O   . TYR D 54  ? 0.1700 0.1453 0.2052 0.0002  -0.0082 0.0186  298 TYR D O   
3079 C CB  . TYR D 54  ? 0.1787 0.1686 0.2112 0.0014  -0.0044 0.0212  298 TYR D CB  
3080 C CG  . TYR D 54  ? 0.1796 0.1720 0.2092 0.0031  -0.0039 0.0177  298 TYR D CG  
3081 C CD1 . TYR D 54  ? 0.1769 0.1686 0.2046 0.0022  -0.0038 0.0138  298 TYR D CD1 
3082 C CD2 . TYR D 54  ? 0.1742 0.1705 0.2029 0.0057  -0.0033 0.0182  298 TYR D CD2 
3083 C CE1 . TYR D 54  ? 0.1731 0.1673 0.1987 0.0033  -0.0031 0.0108  298 TYR D CE1 
3084 C CE2 . TYR D 54  ? 0.1757 0.1749 0.2023 0.0069  -0.0029 0.0148  298 TYR D CE2 
3085 C CZ  . TYR D 54  ? 0.1780 0.1763 0.2034 0.0055  -0.0027 0.0111  298 TYR D CZ  
3086 O OH  . TYR D 54  ? 0.1872 0.1886 0.2112 0.0063  -0.0019 0.0079  298 TYR D OH  
3087 N N   . LYS D 55  ? 0.2000 0.1788 0.2327 0.0048  -0.0070 0.0195  299 LYS D N   
3088 C CA  . LYS D 55  ? 0.2338 0.2071 0.2659 0.0058  -0.0084 0.0169  299 LYS D CA  
3089 C C   . LYS D 55  ? 0.2174 0.1900 0.2474 0.0048  -0.0089 0.0125  299 LYS D C   
3090 O O   . LYS D 55  ? 0.2101 0.1774 0.2400 0.0049  -0.0104 0.0104  299 LYS D O   
3091 C CB  . LYS D 55  ? 0.2717 0.2464 0.3019 0.0093  -0.0080 0.0165  299 LYS D CB  
3092 C CG  . LYS D 55  ? 0.3201 0.3024 0.3480 0.0104  -0.0066 0.0147  299 LYS D CG  
3093 C CD  . LYS D 55  ? 0.3999 0.3859 0.4264 0.0139  -0.0061 0.0148  299 LYS D CD  
3094 C CE  . LYS D 55  ? 0.4262 0.4201 0.4514 0.0140  -0.0049 0.0124  299 LYS D CE  
3095 N NZ  . LYS D 55  ? 0.4592 0.4584 0.4834 0.0172  -0.0045 0.0118  299 LYS D NZ  
3096 N N   . HIS D 56  ? 0.1953 0.1730 0.2236 0.0041  -0.0075 0.0112  300 HIS D N   
3097 C CA  . HIS D 56  ? 0.1926 0.1698 0.2187 0.0035  -0.0075 0.0076  300 HIS D CA  
3098 C C   . HIS D 56  ? 0.1746 0.1525 0.2012 0.0011  -0.0074 0.0079  300 HIS D C   
3099 O O   . HIS D 56  ? 0.1587 0.1374 0.1830 0.0007  -0.0067 0.0056  300 HIS D O   
3100 C CB  . HIS D 56  ? 0.2108 0.1926 0.2345 0.0048  -0.0059 0.0053  300 HIS D CB  
3101 C CG  . HIS D 56  ? 0.2367 0.2188 0.2599 0.0075  -0.0061 0.0046  300 HIS D CG  
3102 N ND1 . HIS D 56  ? 0.2821 0.2589 0.3053 0.0090  -0.0076 0.0041  300 HIS D ND1 
3103 C CD2 . HIS D 56  ? 0.2698 0.2571 0.2924 0.0091  -0.0050 0.0042  300 HIS D CD2 
3104 C CE1 . HIS D 56  ? 0.3085 0.2873 0.3310 0.0117  -0.0073 0.0037  300 HIS D CE1 
3105 N NE2 . HIS D 56  ? 0.3069 0.2926 0.3292 0.0117  -0.0057 0.0037  300 HIS D NE2 
3106 N N   . TRP D 57  ? 0.1711 0.1481 0.2006 -0.0003 -0.0080 0.0108  301 TRP D N   
3107 C CA  . TRP D 57  ? 0.1695 0.1479 0.1996 -0.0023 -0.0079 0.0114  301 TRP D CA  
3108 C C   . TRP D 57  ? 0.1647 0.1402 0.1934 -0.0029 -0.0090 0.0083  301 TRP D C   
3109 O O   . TRP D 57  ? 0.1600 0.1377 0.1868 -0.0033 -0.0080 0.0073  301 TRP D O   
3110 C CB  . TRP D 57  ? 0.1652 0.1436 0.1994 -0.0039 -0.0083 0.0152  301 TRP D CB  
3111 C CG  . TRP D 57  ? 0.1581 0.1386 0.1929 -0.0057 -0.0082 0.0155  301 TRP D CG  
3112 C CD1 . TRP D 57  ? 0.1573 0.1357 0.1945 -0.0075 -0.0098 0.0151  301 TRP D CD1 
3113 C CD2 . TRP D 57  ? 0.1515 0.1370 0.1843 -0.0057 -0.0064 0.0157  301 TRP D CD2 
3114 N NE1 . TRP D 57  ? 0.1579 0.1399 0.1945 -0.0083 -0.0091 0.0155  301 TRP D NE1 
3115 C CE2 . TRP D 57  ? 0.1509 0.1369 0.1848 -0.0071 -0.0070 0.0158  301 TRP D CE2 
3116 C CE3 . TRP D 57  ? 0.1547 0.1443 0.1851 -0.0044 -0.0046 0.0155  301 TRP D CE3 
3117 C CZ2 . TRP D 57  ? 0.1465 0.1365 0.1787 -0.0072 -0.0055 0.0160  301 TRP D CZ2 
3118 C CZ3 . TRP D 57  ? 0.1445 0.1377 0.1735 -0.0048 -0.0032 0.0155  301 TRP D CZ3 
3119 C CH2 . TRP D 57  ? 0.1403 0.1333 0.1699 -0.0060 -0.0036 0.0158  301 TRP D CH2 
3120 N N   . PRO D 58  ? 0.1757 0.1462 0.2048 -0.0025 -0.0109 0.0065  302 PRO D N   
3121 C CA  . PRO D 58  ? 0.1758 0.1441 0.2031 -0.0025 -0.0122 0.0034  302 PRO D CA  
3122 C C   . PRO D 58  ? 0.1579 0.1283 0.1807 -0.0012 -0.0104 0.0011  302 PRO D C   
3123 O O   . PRO D 58  ? 0.1435 0.1142 0.1643 -0.0013 -0.0103 -0.0002 302 PRO D O   
3124 C CB  . PRO D 58  ? 0.1930 0.1558 0.2211 -0.0016 -0.0144 0.0016  302 PRO D CB  
3125 C CG  . PRO D 58  ? 0.2047 0.1663 0.2367 -0.0022 -0.0146 0.0049  302 PRO D CG  
3126 C CD  . PRO D 58  ? 0.1918 0.1585 0.2229 -0.0017 -0.0121 0.0073  302 PRO D CD  
3127 N N   . GLN D 59  ? 0.1540 0.1259 0.1754 0.0001  -0.0089 0.0008  303 GLN D N   
3128 C CA  . GLN D 59  ? 0.1631 0.1370 0.1811 0.0011  -0.0069 -0.0012 303 GLN D CA  
3129 C C   . GLN D 59  ? 0.1537 0.1315 0.1711 0.0000  -0.0048 -0.0002 303 GLN D C   
3130 O O   . GLN D 59  ? 0.1525 0.1310 0.1672 0.0003  -0.0032 -0.0018 303 GLN D O   
3131 C CB  . GLN D 59  ? 0.1681 0.1433 0.1855 0.0028  -0.0060 -0.0021 303 GLN D CB  
3132 C CG  . GLN D 59  ? 0.1916 0.1628 0.2080 0.0048  -0.0076 -0.0041 303 GLN D CG  
3133 C CD  . GLN D 59  ? 0.2025 0.1699 0.2217 0.0047  -0.0100 -0.0029 303 GLN D CD  
3134 O OE1 . GLN D 59  ? 0.2008 0.1692 0.2224 0.0042  -0.0099 -0.0002 303 GLN D OE1 
3135 N NE2 . GLN D 59  ? 0.2158 0.1784 0.2345 0.0052  -0.0122 -0.0048 303 GLN D NE2 
3136 N N   . ILE D 60  ? 0.1432 0.1232 0.1629 -0.0012 -0.0047 0.0023  304 ILE D N   
3137 C CA  . ILE D 60  ? 0.1498 0.1330 0.1689 -0.0022 -0.0031 0.0032  304 ILE D CA  
3138 C C   . ILE D 60  ? 0.1531 0.1349 0.1721 -0.0030 -0.0040 0.0034  304 ILE D C   
3139 O O   . ILE D 60  ? 0.1482 0.1303 0.1647 -0.0028 -0.0027 0.0025  304 ILE D O   
3140 C CB  . ILE D 60  ? 0.1629 0.1499 0.1842 -0.0026 -0.0025 0.0058  304 ILE D CB  
3141 C CG1 . ILE D 60  ? 0.1682 0.1574 0.1892 -0.0013 -0.0017 0.0050  304 ILE D CG1 
3142 C CG2 . ILE D 60  ? 0.1653 0.1556 0.1862 -0.0034 -0.0011 0.0067  304 ILE D CG2 
3143 C CD1 . ILE D 60  ? 0.1855 0.1789 0.2082 -0.0010 -0.0013 0.0074  304 ILE D CD1 
3144 N N   . ALA D 61  ? 0.1609 0.1408 0.1826 -0.0036 -0.0062 0.0045  305 ALA D N   
3145 C CA  . ALA D 61  ? 0.1517 0.1314 0.1744 -0.0046 -0.0074 0.0049  305 ALA D CA  
3146 C C   . ALA D 61  ? 0.1478 0.1253 0.1671 -0.0035 -0.0079 0.0021  305 ALA D C   
3147 O O   . ALA D 61  ? 0.1364 0.1150 0.1551 -0.0037 -0.0081 0.0021  305 ALA D O   
3148 C CB  . ALA D 61  ? 0.1600 0.1380 0.1870 -0.0059 -0.0098 0.0063  305 ALA D CB  
3149 N N   . GLN D 62  ? 0.1401 0.1154 0.1571 -0.0021 -0.0078 -0.0001 306 GLN D N   
3150 C CA  . GLN D 62  ? 0.1421 0.1155 0.1553 -0.0005 -0.0080 -0.0026 306 GLN D CA  
3151 C C   . GLN D 62  ? 0.1373 0.1125 0.1473 0.0000  -0.0054 -0.0023 306 GLN D C   
3152 O O   . GLN D 62  ? 0.1324 0.1067 0.1393 0.0013  -0.0054 -0.0036 306 GLN D O   
3153 C CB  . GLN D 62  ? 0.1444 0.1157 0.1556 0.0011  -0.0079 -0.0048 306 GLN D CB  
3154 C CG  . GLN D 62  ? 0.1412 0.1141 0.1503 0.0017  -0.0048 -0.0049 306 GLN D CG  
3155 C CD  . GLN D 62  ? 0.1462 0.1176 0.1540 0.0034  -0.0048 -0.0069 306 GLN D CD  
3156 O OE1 . GLN D 62  ? 0.1527 0.1219 0.1583 0.0051  -0.0059 -0.0089 306 GLN D OE1 
3157 N NE2 . GLN D 62  ? 0.1464 0.1196 0.1557 0.0033  -0.0039 -0.0064 306 GLN D NE2 
3158 N N   . PHE D 63  ? 0.1332 0.1109 0.1438 -0.0009 -0.0032 -0.0007 307 PHE D N   
3159 C CA  . PHE D 63  ? 0.1306 0.1093 0.1384 -0.0007 -0.0005 -0.0005 307 PHE D CA  
3160 C C   . PHE D 63  ? 0.1332 0.1140 0.1420 -0.0014 -0.0007 0.0012  307 PHE D C   
3161 O O   . PHE D 63  ? 0.1327 0.1137 0.1389 -0.0008 0.0011  0.0014  307 PHE D O   
3162 C CB  . PHE D 63  ? 0.1272 0.1075 0.1350 -0.0011 0.0019  -0.0006 307 PHE D CB  
3163 C CG  . PHE D 63  ? 0.1280 0.1071 0.1346 -0.0003 0.0027  -0.0025 307 PHE D CG  
3164 C CD1 . PHE D 63  ? 0.1334 0.1106 0.1365 0.0010  0.0042  -0.0038 307 PHE D CD1 
3165 C CD2 . PHE D 63  ? 0.1305 0.1109 0.1394 -0.0005 0.0021  -0.0027 307 PHE D CD2 
3166 C CE1 . PHE D 63  ? 0.1446 0.1214 0.1468 0.0019  0.0050  -0.0054 307 PHE D CE1 
3167 C CE2 . PHE D 63  ? 0.1310 0.1109 0.1389 0.0005  0.0028  -0.0044 307 PHE D CE2 
3168 C CZ  . PHE D 63  ? 0.1379 0.1161 0.1426 0.0016  0.0042  -0.0058 307 PHE D CZ  
3169 N N   . ALA D 64  ? 0.1334 0.1156 0.1460 -0.0026 -0.0028 0.0027  308 ALA D N   
3170 C CA  . ALA D 64  ? 0.1339 0.1189 0.1480 -0.0032 -0.0029 0.0047  308 ALA D CA  
3171 C C   . ALA D 64  ? 0.1311 0.1156 0.1439 -0.0023 -0.0042 0.0039  308 ALA D C   
3172 O O   . ALA D 64  ? 0.1329 0.1155 0.1458 -0.0019 -0.0064 0.0023  308 ALA D O   
3173 C CB  . ALA D 64  ? 0.1307 0.1177 0.1496 -0.0048 -0.0043 0.0070  308 ALA D CB  
3174 N N   . PRO D 65  ? 0.1289 0.1152 0.1400 -0.0016 -0.0030 0.0049  309 PRO D N   
3175 C CA  . PRO D 65  ? 0.1292 0.1158 0.1385 -0.0002 -0.0041 0.0042  309 PRO D CA  
3176 C C   . PRO D 65  ? 0.1218 0.1112 0.1356 -0.0014 -0.0070 0.0048  309 PRO D C   
3177 O O   . PRO D 65  ? 0.1095 0.1017 0.1272 -0.0030 -0.0072 0.0070  309 PRO D O   
3178 C CB  . PRO D 65  ? 0.1329 0.1205 0.1391 0.0009  -0.0014 0.0053  309 PRO D CB  
3179 C CG  . PRO D 65  ? 0.1282 0.1180 0.1369 -0.0005 -0.0001 0.0070  309 PRO D CG  
3180 C CD  . PRO D 65  ? 0.1293 0.1176 0.1398 -0.0018 -0.0004 0.0063  309 PRO D CD  
3181 N N   . SER D 66  ? 0.1252 0.1141 0.1385 -0.0004 -0.0093 0.0029  310 SER D N   
3182 C CA  . SER D 66  ? 0.1263 0.1186 0.1432 -0.0011 -0.0119 0.0030  310 SER D CA  
3183 C C   . SER D 66  ? 0.1234 0.1196 0.1396 -0.0003 -0.0104 0.0051  310 SER D C   
3184 O O   . SER D 66  ? 0.1142 0.1094 0.1257 0.0014  -0.0076 0.0057  310 SER D O   
3185 C CB  . SER D 66  ? 0.1273 0.1187 0.1424 0.0005  -0.0144 0.0001  310 SER D CB  
3186 O OG  . SER D 66  ? 0.1244 0.1157 0.1334 0.0037  -0.0127 -0.0003 310 SER D OG  
3187 N N   . ALA D 67  ? 0.1191 0.1197 0.1400 -0.0015 -0.0122 0.0062  311 ALA D N   
3188 C CA  . ALA D 67  ? 0.1198 0.1248 0.1402 -0.0004 -0.0110 0.0080  311 ALA D CA  
3189 C C   . ALA D 67  ? 0.1233 0.1275 0.1374 0.0031  -0.0103 0.0066  311 ALA D C   
3190 O O   . ALA D 67  ? 0.1211 0.1255 0.1314 0.0050  -0.0076 0.0079  311 ALA D O   
3191 C CB  . ALA D 67  ? 0.1215 0.1319 0.1485 -0.0023 -0.0135 0.0089  311 ALA D CB  
3192 N N   . SER D 68  ? 0.1221 0.1254 0.1349 0.0043  -0.0125 0.0040  312 SER D N   
3193 C CA  . SER D 68  ? 0.1251 0.1276 0.1315 0.0082  -0.0118 0.0029  312 SER D CA  
3194 C C   . SER D 68  ? 0.1236 0.1210 0.1240 0.0098  -0.0081 0.0033  312 SER D C   
3195 O O   . SER D 68  ? 0.1141 0.1109 0.1097 0.0125  -0.0057 0.0043  312 SER D O   
3196 C CB  . SER D 68  ? 0.1288 0.1315 0.1351 0.0092  -0.0151 -0.0001 312 SER D CB  
3197 O OG  . SER D 68  ? 0.1348 0.1374 0.1347 0.0135  -0.0145 -0.0011 312 SER D OG  
3198 N N   . ALA D 69  ? 0.1247 0.1182 0.1253 0.0083  -0.0075 0.0026  313 ALA D N   
3199 C CA  . ALA D 69  ? 0.1232 0.1123 0.1192 0.0093  -0.0040 0.0028  313 ALA D CA  
3200 C C   . ALA D 69  ? 0.1209 0.1102 0.1171 0.0084  -0.0010 0.0050  313 ALA D C   
3201 O O   . ALA D 69  ? 0.1229 0.1095 0.1147 0.0100  0.0020  0.0054  313 ALA D O   
3202 C CB  . ALA D 69  ? 0.1245 0.1105 0.1214 0.0079  -0.0044 0.0013  313 ALA D CB  
3203 N N   . PHE D 70  ? 0.1198 0.1123 0.1210 0.0060  -0.0019 0.0063  314 PHE D N   
3204 C CA  . PHE D 70  ? 0.1212 0.1147 0.1224 0.0055  0.0004  0.0082  314 PHE D CA  
3205 C C   . PHE D 70  ? 0.1185 0.1127 0.1159 0.0083  0.0021  0.0090  314 PHE D C   
3206 O O   . PHE D 70  ? 0.1107 0.1023 0.1048 0.0092  0.0051  0.0094  314 PHE D O   
3207 C CB  . PHE D 70  ? 0.1285 0.1260 0.1357 0.0030  -0.0009 0.0097  314 PHE D CB  
3208 C CG  . PHE D 70  ? 0.1325 0.1320 0.1397 0.0029  0.0012  0.0115  314 PHE D CG  
3209 C CD1 . PHE D 70  ? 0.1379 0.1355 0.1445 0.0020  0.0032  0.0114  314 PHE D CD1 
3210 C CD2 . PHE D 70  ? 0.1494 0.1531 0.1573 0.0039  0.0013  0.0131  314 PHE D CD2 
3211 C CE1 . PHE D 70  ? 0.1372 0.1368 0.1437 0.0021  0.0050  0.0125  314 PHE D CE1 
3212 C CE2 . PHE D 70  ? 0.1488 0.1543 0.1564 0.0042  0.0033  0.0145  314 PHE D CE2 
3213 C CZ  . PHE D 70  ? 0.1452 0.1485 0.1519 0.0033  0.0051  0.0141  314 PHE D CZ  
3214 N N   . PHE D 71  ? 0.1241 0.1216 0.1219 0.0097  0.0000  0.0091  315 PHE D N   
3215 C CA  . PHE D 71  ? 0.1276 0.1263 0.1218 0.0129  0.0013  0.0100  315 PHE D CA  
3216 C C   . PHE D 71  ? 0.1352 0.1296 0.1229 0.0162  0.0028  0.0091  315 PHE D C   
3217 O O   . PHE D 71  ? 0.1273 0.1207 0.1108 0.0191  0.0050  0.0101  315 PHE D O   
3218 C CB  . PHE D 71  ? 0.1290 0.1342 0.1269 0.0131  -0.0015 0.0106  315 PHE D CB  
3219 C CG  . PHE D 71  ? 0.1283 0.1377 0.1305 0.0112  -0.0011 0.0126  315 PHE D CG  
3220 C CD1 . PHE D 71  ? 0.1285 0.1408 0.1372 0.0078  -0.0030 0.0132  315 PHE D CD1 
3221 C CD2 . PHE D 71  ? 0.1355 0.1453 0.1350 0.0131  0.0014  0.0141  315 PHE D CD2 
3222 C CE1 . PHE D 71  ? 0.1314 0.1476 0.1436 0.0065  -0.0023 0.0154  315 PHE D CE1 
3223 C CE2 . PHE D 71  ? 0.1353 0.1490 0.1382 0.0119  0.0019  0.0159  315 PHE D CE2 
3224 C CZ  . PHE D 71  ? 0.1324 0.1495 0.1415 0.0086  0.0001  0.0167  315 PHE D CZ  
3225 N N   . GLY D 72  ? 0.1369 0.1289 0.1239 0.0159  0.0017  0.0073  316 GLY D N   
3226 C CA  . GLY D 72  ? 0.1431 0.1315 0.1241 0.0192  0.0030  0.0066  316 GLY D CA  
3227 C C   . GLY D 72  ? 0.1481 0.1306 0.1257 0.0191  0.0071  0.0069  316 GLY D C   
3228 O O   . GLY D 72  ? 0.1401 0.1195 0.1124 0.0220  0.0099  0.0076  316 GLY D O   
3229 N N   . MET D 73  ? 0.1535 0.1349 0.1344 0.0157  0.0075  0.0065  317 MET D N   
3230 C CA  . MET D 73  ? 0.1599 0.1365 0.1387 0.0151  0.0110  0.0063  317 MET D CA  
3231 C C   . MET D 73  ? 0.1587 0.1340 0.1376 0.0142  0.0139  0.0074  317 MET D C   
3232 O O   . MET D 73  ? 0.1651 0.1360 0.1412 0.0145  0.0174  0.0074  317 MET D O   
3233 C CB  . MET D 73  ? 0.1634 0.1398 0.1457 0.0123  0.0100  0.0049  317 MET D CB  
3234 C CG  . MET D 73  ? 0.1812 0.1580 0.1636 0.0129  0.0072  0.0034  317 MET D CG  
3235 S SD  . MET D 73  ? 0.2010 0.1770 0.1870 0.0100  0.0064  0.0019  317 MET D SD  
3236 C CE  . MET D 73  ? 0.2413 0.2206 0.2333 0.0067  0.0052  0.0030  317 MET D CE  
3237 N N   . SER D 74  ? 0.1519 0.1311 0.1344 0.0128  0.0126  0.0081  318 SER D N   
3238 C CA  . SER D 74  ? 0.1432 0.1217 0.1263 0.0117  0.0148  0.0086  318 SER D CA  
3239 C C   . SER D 74  ? 0.1523 0.1288 0.1313 0.0145  0.0173  0.0097  318 SER D C   
3240 O O   . SER D 74  ? 0.1597 0.1373 0.1362 0.0174  0.0166  0.0106  318 SER D O   
3241 C CB  . SER D 74  ? 0.1361 0.1197 0.1241 0.0097  0.0128  0.0091  318 SER D CB  
3242 O OG  . SER D 74  ? 0.1297 0.1150 0.1215 0.0074  0.0103  0.0085  318 SER D OG  
3243 N N   . ARG D 75  ? 0.1619 0.1358 0.1404 0.0138  0.0201  0.0094  319 ARG D N   
3244 C CA  . ARG D 75  ? 0.1701 0.1426 0.1458 0.0160  0.0221  0.0104  319 ARG D CA  
3245 C C   . ARG D 75  ? 0.1513 0.1296 0.1303 0.0154  0.0202  0.0110  319 ARG D C   
3246 O O   . ARG D 75  ? 0.1547 0.1350 0.1370 0.0130  0.0198  0.0103  319 ARG D O   
3247 C CB  . ARG D 75  ? 0.2029 0.1692 0.1764 0.0157  0.0261  0.0096  319 ARG D CB  
3248 C CG  . ARG D 75  ? 0.2464 0.2074 0.2168 0.0164  0.0284  0.0096  319 ARG D CG  
3249 C CD  . ARG D 75  ? 0.2744 0.2286 0.2421 0.0167  0.0328  0.0095  319 ARG D CD  
3250 N NE  . ARG D 75  ? 0.2795 0.2321 0.2440 0.0198  0.0341  0.0108  319 ARG D NE  
3251 C CZ  . ARG D 75  ? 0.2982 0.2494 0.2581 0.0238  0.0347  0.0127  319 ARG D CZ  
3252 N NH1 . ARG D 75  ? 0.3021 0.2518 0.2591 0.0267  0.0360  0.0138  319 ARG D NH1 
3253 N NH2 . ARG D 75  ? 0.2900 0.2414 0.2480 0.0252  0.0340  0.0134  319 ARG D NH2 
3254 N N   . ILE D 76  ? 0.1454 0.1268 0.1233 0.0180  0.0191  0.0125  320 ILE D N   
3255 C CA  . ILE D 76  ? 0.1368 0.1246 0.1181 0.0177  0.0172  0.0134  320 ILE D CA  
3256 C C   . ILE D 76  ? 0.1453 0.1321 0.1235 0.0204  0.0195  0.0141  320 ILE D C   
3257 O O   . ILE D 76  ? 0.1379 0.1211 0.1116 0.0235  0.0212  0.0146  320 ILE D O   
3258 C CB  . ILE D 76  ? 0.1358 0.1291 0.1192 0.0184  0.0140  0.0144  320 ILE D CB  
3259 C CG1 . ILE D 76  ? 0.1310 0.1249 0.1175 0.0159  0.0116  0.0135  320 ILE D CG1 
3260 C CG2 . ILE D 76  ? 0.1353 0.1356 0.1223 0.0184  0.0126  0.0159  320 ILE D CG2 
3261 C CD1 . ILE D 76  ? 0.1308 0.1265 0.1221 0.0123  0.0106  0.0132  320 ILE D CD1 
3262 N N   . GLY D 77  ? 0.1497 0.1400 0.1304 0.0194  0.0193  0.0142  321 GLY D N   
3263 C CA  . GLY D 77  ? 0.1630 0.1532 0.1414 0.0218  0.0212  0.0145  321 GLY D CA  
3264 C C   . GLY D 77  ? 0.1722 0.1704 0.1541 0.0218  0.0194  0.0158  321 GLY D C   
3265 O O   . GLY D 77  ? 0.1501 0.1534 0.1367 0.0194  0.0170  0.0165  321 GLY D O   
3266 N N   . MET D 78  ? 0.1977 0.1967 0.1773 0.0246  0.0208  0.0162  322 MET D N   
3267 C CA  . MET D 78  ? 0.2332 0.2398 0.2158 0.0248  0.0198  0.0175  322 MET D CA  
3268 C C   . MET D 78  ? 0.2314 0.2358 0.2114 0.0263  0.0220  0.0161  322 MET D C   
3269 O O   . MET D 78  ? 0.2311 0.2297 0.2065 0.0287  0.0242  0.0152  322 MET D O   
3270 C CB  . MET D 78  ? 0.2776 0.2905 0.2610 0.0273  0.0184  0.0198  322 MET D CB  
3271 C CG  . MET D 78  ? 0.3236 0.3424 0.3125 0.0248  0.0154  0.0211  322 MET D CG  
3272 S SD  . MET D 78  ? 0.4541 0.4834 0.4464 0.0266  0.0140  0.0238  322 MET D SD  
3273 C CE  . MET D 78  ? 0.4612 0.4880 0.4489 0.0305  0.0141  0.0236  322 MET D CE  
3274 N N   . GLU D 79  ? 0.2339 0.2424 0.2167 0.0247  0.0214  0.0158  323 GLU D N   
3275 C CA  . GLU D 79  ? 0.2683 0.2759 0.2490 0.0260  0.0231  0.0140  323 GLU D CA  
3276 C C   . GLU D 79  ? 0.2427 0.2593 0.2257 0.0273  0.0221  0.0159  323 GLU D C   
3277 O O   . GLU D 79  ? 0.2247 0.2473 0.2120 0.0254  0.0203  0.0179  323 GLU D O   
3278 C CB  . GLU D 79  ? 0.3097 0.3143 0.2915 0.0230  0.0234  0.0113  323 GLU D CB  
3279 C CG  . GLU D 79  ? 0.3816 0.3775 0.3615 0.0215  0.0248  0.0093  323 GLU D CG  
3280 C CD  . GLU D 79  ? 0.4620 0.4548 0.4426 0.0191  0.0257  0.0060  323 GLU D CD  
3281 O OE1 . GLU D 79  ? 0.5152 0.5124 0.4971 0.0190  0.0251  0.0049  323 GLU D OE1 
3282 O OE2 . GLU D 79  ? 0.5509 0.5372 0.5308 0.0174  0.0269  0.0044  323 GLU D OE2 
3283 N N   . VAL D 80  ? 0.2437 0.2610 0.2236 0.0308  0.0235  0.0154  324 VAL D N   
3284 C CA  . VAL D 80  ? 0.2525 0.2782 0.2338 0.0324  0.0231  0.0169  324 VAL D CA  
3285 C C   . VAL D 80  ? 0.2658 0.2899 0.2455 0.0325  0.0240  0.0138  324 VAL D C   
3286 O O   . VAL D 80  ? 0.2928 0.3101 0.2688 0.0337  0.0256  0.0108  324 VAL D O   
3287 C CB  . VAL D 80  ? 0.2631 0.2919 0.2421 0.0368  0.0238  0.0185  324 VAL D CB  
3288 C CG1 . VAL D 80  ? 0.2687 0.3068 0.2491 0.0388  0.0236  0.0201  324 VAL D CG1 
3289 C CG2 . VAL D 80  ? 0.2710 0.3016 0.2515 0.0369  0.0227  0.0210  324 VAL D CG2 
3290 N N   . THR D 81  ? 0.2665 0.2969 0.2495 0.0310  0.0229  0.0145  325 THR D N   
3291 C CA  . THR D 81  ? 0.2726 0.3034 0.2543 0.0314  0.0233  0.0115  325 THR D CA  
3292 C C   . THR D 81  ? 0.2678 0.3084 0.2505 0.0339  0.0229  0.0139  325 THR D C   
3293 O O   . THR D 81  ? 0.2241 0.2707 0.2093 0.0344  0.0224  0.0179  325 THR D O   
3294 C CB  . THR D 81  ? 0.2579 0.2869 0.2421 0.0276  0.0224  0.0099  325 THR D CB  
3295 O OG1 . THR D 81  ? 0.2367 0.2732 0.2250 0.0264  0.0209  0.0136  325 THR D OG1 
3296 C CG2 . THR D 81  ? 0.2726 0.2932 0.2566 0.0249  0.0227  0.0084  325 THR D CG2 
3297 N N   . PRO D 82  ? 0.2915 0.3345 0.2726 0.0353  0.0232  0.0114  326 PRO D N   
3298 C CA  . PRO D 82  ? 0.2912 0.3439 0.2730 0.0379  0.0230  0.0139  326 PRO D CA  
3299 C C   . PRO D 82  ? 0.2683 0.3275 0.2551 0.0356  0.0219  0.0185  326 PRO D C   
3300 O O   . PRO D 82  ? 0.2577 0.3246 0.2461 0.0375  0.0220  0.0223  326 PRO D O   
3301 C CB  . PRO D 82  ? 0.2981 0.3511 0.2775 0.0391  0.0231  0.0097  326 PRO D CB  
3302 C CG  . PRO D 82  ? 0.3082 0.3510 0.2844 0.0386  0.0240  0.0047  326 PRO D CG  
3303 C CD  . PRO D 82  ? 0.3142 0.3508 0.2926 0.0350  0.0238  0.0061  326 PRO D CD  
3304 N N   . SER D 83  ? 0.2633 0.3193 0.2529 0.0317  0.0208  0.0184  327 SER D N   
3305 C CA  . SER D 83  ? 0.2686 0.3299 0.2630 0.0296  0.0198  0.0226  327 SER D CA  
3306 C C   . SER D 83  ? 0.2695 0.3309 0.2671 0.0280  0.0193  0.0259  327 SER D C   
3307 O O   . SER D 83  ? 0.2774 0.3439 0.2795 0.0266  0.0186  0.0298  327 SER D O   
3308 C CB  . SER D 83  ? 0.2956 0.3545 0.2916 0.0266  0.0189  0.0212  327 SER D CB  
3309 O OG  . SER D 83  ? 0.3304 0.3811 0.3264 0.0238  0.0185  0.0189  327 SER D OG  
3310 N N   . GLY D 84  ? 0.2642 0.3201 0.2597 0.0284  0.0196  0.0243  328 GLY D N   
3311 C CA  . GLY D 84  ? 0.2476 0.3050 0.2460 0.0276  0.0189  0.0272  328 GLY D CA  
3312 C C   . GLY D 84  ? 0.2189 0.2682 0.2152 0.0268  0.0188  0.0250  328 GLY D C   
3313 O O   . GLY D 84  ? 0.2029 0.2453 0.1950 0.0276  0.0198  0.0216  328 GLY D O   
3314 N N   . THR D 85  ? 0.1942 0.2446 0.1937 0.0254  0.0176  0.0271  329 THR D N   
3315 C CA  . THR D 85  ? 0.1906 0.2345 0.1883 0.0249  0.0172  0.0256  329 THR D CA  
3316 C C   . THR D 85  ? 0.1867 0.2270 0.1872 0.0209  0.0158  0.0251  329 THR D C   
3317 O O   . THR D 85  ? 0.1814 0.2262 0.1869 0.0187  0.0144  0.0274  329 THR D O   
3318 C CB  . THR D 85  ? 0.1965 0.2446 0.1954 0.0266  0.0166  0.0278  329 THR D CB  
3319 O OG1 . THR D 85  ? 0.1936 0.2451 0.1897 0.0305  0.0181  0.0282  329 THR D OG1 
3320 C CG2 . THR D 85  ? 0.1965 0.2382 0.1929 0.0267  0.0163  0.0262  329 THR D CG2 
3321 N N   . TRP D 86  ? 0.1848 0.2171 0.1821 0.0203  0.0164  0.0222  330 TRP D N   
3322 C CA  . TRP D 86  ? 0.1792 0.2074 0.1782 0.0170  0.0154  0.0211  330 TRP D CA  
3323 C C   . TRP D 86  ? 0.1713 0.1942 0.1686 0.0169  0.0151  0.0202  330 TRP D C   
3324 O O   . TRP D 86  ? 0.1704 0.1892 0.1634 0.0192  0.0166  0.0191  330 TRP D O   
3325 C CB  . TRP D 86  ? 0.1853 0.2093 0.1821 0.0163  0.0166  0.0183  330 TRP D CB  
3326 C CG  . TRP D 86  ? 0.1972 0.2268 0.1952 0.0169  0.0168  0.0188  330 TRP D CG  
3327 C CD1 . TRP D 86  ? 0.2073 0.2396 0.2029 0.0197  0.0180  0.0185  330 TRP D CD1 
3328 C CD2 . TRP D 86  ? 0.2096 0.2427 0.2110 0.0149  0.0157  0.0199  330 TRP D CD2 
3329 N NE1 . TRP D 86  ? 0.2106 0.2485 0.2079 0.0197  0.0177  0.0193  330 TRP D NE1 
3330 C CE2 . TRP D 86  ? 0.2209 0.2592 0.2217 0.0168  0.0164  0.0203  330 TRP D CE2 
3331 C CE3 . TRP D 86  ? 0.2110 0.2431 0.2156 0.0120  0.0144  0.0205  330 TRP D CE3 
3332 C CZ2 . TRP D 86  ? 0.2253 0.2682 0.2285 0.0160  0.0158  0.0215  330 TRP D CZ2 
3333 C CZ3 . TRP D 86  ? 0.2131 0.2492 0.2203 0.0111  0.0138  0.0217  330 TRP D CZ3 
3334 C CH2 . TRP D 86  ? 0.2181 0.2594 0.2244 0.0132  0.0146  0.0223  330 TRP D CH2 
3335 N N   . LEU D 87  ? 0.1566 0.1796 0.1572 0.0144  0.0132  0.0208  331 LEU D N   
3336 C CA  . LEU D 87  ? 0.1616 0.1791 0.1603 0.0141  0.0129  0.0194  331 LEU D CA  
3337 C C   . LEU D 87  ? 0.1454 0.1573 0.1431 0.0122  0.0137  0.0172  331 LEU D C   
3338 O O   . LEU D 87  ? 0.1412 0.1546 0.1422 0.0098  0.0126  0.0173  331 LEU D O   
3339 C CB  . LEU D 87  ? 0.1732 0.1941 0.1762 0.0125  0.0102  0.0208  331 LEU D CB  
3340 C CG  . LEU D 87  ? 0.1937 0.2102 0.1949 0.0125  0.0093  0.0194  331 LEU D CG  
3341 C CD1 . LEU D 87  ? 0.2125 0.2279 0.2094 0.0161  0.0103  0.0193  331 LEU D CD1 
3342 C CD2 . LEU D 87  ? 0.2032 0.2235 0.2095 0.0106  0.0064  0.0202  331 LEU D CD2 
3343 N N   . THR D 88  ? 0.1377 0.1433 0.1309 0.0133  0.0158  0.0152  332 THR D N   
3344 C CA  . THR D 88  ? 0.1355 0.1360 0.1280 0.0114  0.0168  0.0129  332 THR D CA  
3345 C C   . THR D 88  ? 0.1292 0.1258 0.1211 0.0106  0.0162  0.0124  332 THR D C   
3346 O O   . THR D 88  ? 0.1350 0.1308 0.1250 0.0124  0.0159  0.0132  332 THR D O   
3347 C CB  . THR D 88  ? 0.1388 0.1347 0.1275 0.0128  0.0196  0.0110  332 THR D CB  
3348 O OG1 . THR D 88  ? 0.1398 0.1315 0.1246 0.0152  0.0209  0.0114  332 THR D OG1 
3349 C CG2 . THR D 88  ? 0.1393 0.1394 0.1282 0.0140  0.0199  0.0112  332 THR D CG2 
3350 N N   . TYR D 89  ? 0.1256 0.1200 0.1188 0.0083  0.0161  0.0110  333 TYR D N   
3351 C CA  . TYR D 89  ? 0.1270 0.1178 0.1195 0.0077  0.0157  0.0103  333 TYR D CA  
3352 C C   . TYR D 89  ? 0.1236 0.1104 0.1156 0.0061  0.0174  0.0081  333 TYR D C   
3353 O O   . TYR D 89  ? 0.1203 0.1090 0.1144 0.0046  0.0176  0.0072  333 TYR D O   
3354 C CB  . TYR D 89  ? 0.1232 0.1176 0.1195 0.0063  0.0126  0.0113  333 TYR D CB  
3355 C CG  . TYR D 89  ? 0.1213 0.1189 0.1218 0.0040  0.0114  0.0115  333 TYR D CG  
3356 C CD1 . TYR D 89  ? 0.1239 0.1270 0.1273 0.0038  0.0104  0.0133  333 TYR D CD1 
3357 C CD2 . TYR D 89  ? 0.1211 0.1166 0.1225 0.0024  0.0113  0.0100  333 TYR D CD2 
3358 C CE1 . TYR D 89  ? 0.1253 0.1312 0.1320 0.0022  0.0096  0.0139  333 TYR D CE1 
3359 C CE2 . TYR D 89  ? 0.1182 0.1167 0.1230 0.0008  0.0102  0.0104  333 TYR D CE2 
3360 C CZ  . TYR D 89  ? 0.1206 0.1241 0.1280 0.0008  0.0094  0.0125  333 TYR D CZ  
3361 O OH  . TYR D 89  ? 0.1101 0.1166 0.1205 -0.0002 0.0085  0.0133  333 TYR D OH  
3362 N N   A THR D 90  ? 0.1236 0.1053 0.1129 0.0066  0.0189  0.0074  334 THR D N   
3363 N N   B THR D 90  ? 0.1252 0.1069 0.1144 0.0066  0.0189  0.0074  334 THR D N   
3364 C CA  A THR D 90  ? 0.1268 0.1048 0.1159 0.0050  0.0207  0.0055  334 THR D CA  
3365 C CA  B THR D 90  ? 0.1294 0.1077 0.1187 0.0049  0.0205  0.0055  334 THR D CA  
3366 C C   A THR D 90  ? 0.1280 0.1028 0.1151 0.0056  0.0209  0.0055  334 THR D C   
3367 C C   B THR D 90  ? 0.1292 0.1046 0.1168 0.0055  0.0203  0.0056  334 THR D C   
3368 O O   A THR D 90  ? 0.1300 0.1034 0.1141 0.0080  0.0209  0.0067  334 THR D O   
3369 O O   B THR D 90  ? 0.1297 0.1050 0.1152 0.0076  0.0195  0.0068  334 THR D O   
3370 C CB  A THR D 90  ? 0.1335 0.1073 0.1204 0.0052  0.0241  0.0042  334 THR D CB  
3371 C CB  B THR D 90  ? 0.1383 0.1125 0.1256 0.0050  0.0238  0.0041  334 THR D CB  
3372 O OG1 A THR D 90  ? 0.1403 0.1096 0.1231 0.0075  0.0259  0.0052  334 THR D OG1 
3373 O OG1 B THR D 90  ? 0.1410 0.1129 0.1293 0.0030  0.0251  0.0024  334 THR D OG1 
3374 C CG2 A THR D 90  ? 0.1323 0.1086 0.1198 0.0055  0.0242  0.0039  334 THR D CG2 
3375 C CG2 B THR D 90  ? 0.1461 0.1154 0.1288 0.0075  0.0261  0.0051  334 THR D CG2 
3376 N N   . GLY D 91  ? 0.1242 0.0980 0.1127 0.0039  0.0210  0.0042  335 GLY D N   
3377 C CA  . GLY D 91  ? 0.1215 0.0929 0.1082 0.0047  0.0211  0.0041  335 GLY D CA  
3378 C C   . GLY D 91  ? 0.1164 0.0876 0.1053 0.0026  0.0214  0.0025  335 GLY D C   
3379 O O   . GLY D 91  ? 0.1039 0.0768 0.0955 0.0006  0.0218  0.0013  335 GLY D O   
3380 N N   . ALA D 92  ? 0.1152 0.0847 0.1026 0.0035  0.0214  0.0023  336 ALA D N   
3381 C CA  . ALA D 92  ? 0.1245 0.0939 0.1134 0.0021  0.0219  0.0009  336 ALA D CA  
3382 C C   . ALA D 92  ? 0.1277 0.0973 0.1156 0.0035  0.0197  0.0009  336 ALA D C   
3383 O O   . ALA D 92  ? 0.1286 0.0964 0.1130 0.0058  0.0197  0.0017  336 ALA D O   
3384 C CB  . ALA D 92  ? 0.1287 0.0945 0.1162 0.0017  0.0260  0.0003  336 ALA D CB  
3385 N N   . ILE D 93  ? 0.1370 0.1087 0.1278 0.0023  0.0176  0.0000  337 ILE D N   
3386 C CA  . ILE D 93  ? 0.1440 0.1158 0.1343 0.0035  0.0152  -0.0005 337 ILE D CA  
3387 C C   . ILE D 93  ? 0.1473 0.1182 0.1374 0.0033  0.0169  -0.0019 337 ILE D C   
3388 O O   . ILE D 93  ? 0.1325 0.1050 0.1255 0.0015  0.0175  -0.0027 337 ILE D O   
3389 C CB  . ILE D 93  ? 0.1410 0.1158 0.1351 0.0024  0.0115  -0.0004 337 ILE D CB  
3390 C CG1 . ILE D 93  ? 0.1487 0.1248 0.1430 0.0027  0.0101  0.0010  337 ILE D CG1 
3391 C CG2 . ILE D 93  ? 0.1444 0.1188 0.1388 0.0031  0.0089  -0.0015 337 ILE D CG2 
3392 C CD1 . ILE D 93  ? 0.1510 0.1303 0.1497 0.0011  0.0075  0.0017  337 ILE D CD1 
3393 N N   A LYS D 94  ? 0.1538 0.1225 0.1403 0.0056  0.0177  -0.0020 338 LYS D N   
3394 N N   B LYS D 94  ? 0.1565 0.1253 0.1430 0.0056  0.0175  -0.0020 338 LYS D N   
3395 C CA  A LYS D 94  ? 0.1572 0.1254 0.1432 0.0058  0.0196  -0.0030 338 LYS D CA  
3396 C CA  B LYS D 94  ? 0.1620 0.1302 0.1480 0.0058  0.0195  -0.0030 338 LYS D CA  
3397 C C   A LYS D 94  ? 0.1582 0.1283 0.1463 0.0059  0.0164  -0.0044 338 LYS D C   
3398 C C   B LYS D 94  ? 0.1609 0.1310 0.1490 0.0059  0.0164  -0.0044 338 LYS D C   
3399 O O   A LYS D 94  ? 0.1576 0.1275 0.1448 0.0073  0.0133  -0.0047 338 LYS D O   
3400 O O   B LYS D 94  ? 0.1603 0.1302 0.1475 0.0073  0.0133  -0.0047 338 LYS D O   
3401 C CB  A LYS D 94  ? 0.1660 0.1316 0.1472 0.0085  0.0220  -0.0024 338 LYS D CB  
3402 C CB  B LYS D 94  ? 0.1753 0.1409 0.1563 0.0088  0.0216  -0.0023 338 LYS D CB  
3403 C CG  A LYS D 94  ? 0.1718 0.1372 0.1529 0.0085  0.0248  -0.0031 338 LYS D CG  
3404 C CG  B LYS D 94  ? 0.1851 0.1495 0.1652 0.0087  0.0257  -0.0024 338 LYS D CG  
3405 C CD  A LYS D 94  ? 0.1786 0.1422 0.1549 0.0117  0.0267  -0.0025 338 LYS D CD  
3406 C CD  B LYS D 94  ? 0.1987 0.1603 0.1733 0.0119  0.0282  -0.0010 338 LYS D CD  
3407 C CE  A LYS D 94  ? 0.1843 0.1452 0.1586 0.0118  0.0318  -0.0008 338 LYS D CE  
3408 C CE  B LYS D 94  ? 0.2103 0.1726 0.1820 0.0150  0.0257  -0.0019 338 LYS D CE  
3409 N NZ  A LYS D 94  ? 0.1954 0.1541 0.1639 0.0157  0.0336  0.0004  338 LYS D NZ  
3410 N NZ  B LYS D 94  ? 0.2136 0.1774 0.1867 0.0148  0.0264  -0.0032 338 LYS D NZ  
3411 N N   . LEU D 95  ? 0.1596 0.1314 0.1505 0.0044  0.0172  -0.0054 339 LEU D N   
3412 C CA  . LEU D 95  ? 0.1718 0.1448 0.1639 0.0050  0.0151  -0.0067 339 LEU D CA  
3413 C C   . LEU D 95  ? 0.1828 0.1541 0.1710 0.0077  0.0163  -0.0073 339 LEU D C   
3414 O O   . LEU D 95  ? 0.1797 0.1500 0.1657 0.0083  0.0199  -0.0067 339 LEU D O   
3415 C CB  . LEU D 95  ? 0.1715 0.1474 0.1673 0.0033  0.0160  -0.0076 339 LEU D CB  
3416 C CG  . LEU D 95  ? 0.1718 0.1502 0.1715 0.0015  0.0138  -0.0074 339 LEU D CG  
3417 C CD1 . LEU D 95  ? 0.1760 0.1546 0.1763 0.0000  0.0145  -0.0062 339 LEU D CD1 
3418 C CD2 . LEU D 95  ? 0.1705 0.1523 0.1731 0.0006  0.0147  -0.0086 339 LEU D CD2 
3419 N N   . ASP D 96  ? 0.1933 0.1644 0.1809 0.0095  0.0133  -0.0085 340 ASP D N   
3420 C CA  . ASP D 96  ? 0.2103 0.1803 0.1939 0.0126  0.0139  -0.0093 340 ASP D CA  
3421 C C   . ASP D 96  ? 0.2085 0.1803 0.1933 0.0127  0.0156  -0.0104 340 ASP D C   
3422 O O   . ASP D 96  ? 0.1875 0.1604 0.1746 0.0126  0.0133  -0.0116 340 ASP D O   
3423 C CB  . ASP D 96  ? 0.2275 0.1965 0.2099 0.0145  0.0097  -0.0107 340 ASP D CB  
3424 C CG  . ASP D 96  ? 0.2402 0.2083 0.2181 0.0182  0.0096  -0.0120 340 ASP D CG  
3425 O OD1 . ASP D 96  ? 0.2550 0.2222 0.2321 0.0198  0.0059  -0.0137 340 ASP D OD1 
3426 O OD2 . ASP D 96  ? 0.2404 0.2088 0.2158 0.0195  0.0133  -0.0115 340 ASP D OD2 
3427 N N   . ASP D 97  ? 0.2275 0.1997 0.2108 0.0130  0.0198  -0.0097 341 ASP D N   
3428 C CA  . ASP D 97  ? 0.2619 0.2367 0.2472 0.0129  0.0215  -0.0107 341 ASP D CA  
3429 C C   . ASP D 97  ? 0.2556 0.2304 0.2379 0.0165  0.0203  -0.0120 341 ASP D C   
3430 O O   . ASP D 97  ? 0.2575 0.2348 0.2412 0.0169  0.0212  -0.0130 341 ASP D O   
3431 C CB  . ASP D 97  ? 0.3209 0.2968 0.3075 0.0109  0.0264  -0.0097 341 ASP D CB  
3432 C CG  . ASP D 97  ? 0.3771 0.3503 0.3594 0.0125  0.0299  -0.0079 341 ASP D CG  
3433 O OD1 . ASP D 97  ? 0.4491 0.4204 0.4315 0.0108  0.0316  -0.0065 341 ASP D OD1 
3434 O OD2 . ASP D 97  ? 0.4052 0.3783 0.3840 0.0156  0.0307  -0.0080 341 ASP D OD2 
3435 N N   . LYS D 98  ? 0.2496 0.2220 0.2278 0.0192  0.0180  -0.0124 342 LYS D N   
3436 C CA  . LYS D 98  ? 0.2766 0.2488 0.2522 0.0226  0.0157  -0.0144 342 LYS D CA  
3437 C C   . LYS D 98  ? 0.2460 0.2177 0.2246 0.0221  0.0110  -0.0161 342 LYS D C   
3438 O O   . LYS D 98  ? 0.2403 0.2116 0.2176 0.0246  0.0090  -0.0181 342 LYS D O   
3439 C CB  . LYS D 98  ? 0.3187 0.2891 0.2887 0.0263  0.0150  -0.0146 342 LYS D CB  
3440 C CG  . LYS D 98  ? 0.3737 0.3440 0.3399 0.0276  0.0198  -0.0125 342 LYS D CG  
3441 C CD  . LYS D 98  ? 0.4322 0.4048 0.4001 0.0267  0.0245  -0.0114 342 LYS D CD  
3442 C CE  . LYS D 98  ? 0.5147 0.4863 0.4795 0.0273  0.0295  -0.0087 342 LYS D CE  
3443 N NZ  . LYS D 98  ? 0.5600 0.5338 0.5269 0.0262  0.0342  -0.0078 342 LYS D NZ  
3444 N N   . ASP D 99  ? 0.2206 0.1920 0.2030 0.0189  0.0094  -0.0153 343 ASP D N   
3445 C CA  . ASP D 99  ? 0.1981 0.1687 0.1836 0.0182  0.0056  -0.0163 343 ASP D CA  
3446 C C   . ASP D 99  ? 0.1917 0.1647 0.1797 0.0181  0.0065  -0.0169 343 ASP D C   
3447 O O   . ASP D 99  ? 0.1737 0.1496 0.1638 0.0163  0.0093  -0.0160 343 ASP D O   
3448 C CB  . ASP D 99  ? 0.1881 0.1584 0.1768 0.0151  0.0042  -0.0148 343 ASP D CB  
3449 C CG  . ASP D 99  ? 0.1934 0.1625 0.1856 0.0141  0.0005  -0.0152 343 ASP D CG  
3450 O OD1 . ASP D 99  ? 0.1864 0.1549 0.1804 0.0123  -0.0009 -0.0141 343 ASP D OD1 
3451 O OD2 . ASP D 99  ? 0.1909 0.1598 0.1840 0.0152  -0.0006 -0.0164 343 ASP D OD2 
3452 N N   . PRO D 100 ? 0.1904 0.1624 0.1782 0.0203  0.0040  -0.0188 344 PRO D N   
3453 C CA  . PRO D 100 ? 0.1842 0.1588 0.1740 0.0208  0.0047  -0.0194 344 PRO D CA  
3454 C C   . PRO D 100 ? 0.1558 0.1322 0.1503 0.0181  0.0041  -0.0182 344 PRO D C   
3455 O O   . PRO D 100 ? 0.1550 0.1345 0.1515 0.0184  0.0050  -0.0184 344 PRO D O   
3456 C CB  . PRO D 100 ? 0.2010 0.1728 0.1890 0.0242  0.0016  -0.0217 344 PRO D CB  
3457 C CG  . PRO D 100 ? 0.2054 0.1731 0.1932 0.0236  -0.0018 -0.0220 344 PRO D CG  
3458 C CD  . PRO D 100 ? 0.2060 0.1743 0.1920 0.0223  0.0001  -0.0205 344 PRO D CD  
3459 N N   . ASN D 101 ? 0.1414 0.1160 0.1375 0.0158  0.0026  -0.0168 345 ASN D N   
3460 C CA  . ASN D 101 ? 0.1316 0.1081 0.1317 0.0134  0.0022  -0.0153 345 ASN D CA  
3461 C C   . ASN D 101 ? 0.1261 0.1059 0.1274 0.0109  0.0053  -0.0141 345 ASN D C   
3462 O O   . ASN D 101 ? 0.1170 0.0990 0.1213 0.0091  0.0052  -0.0131 345 ASN D O   
3463 C CB  . ASN D 101 ? 0.1322 0.1054 0.1337 0.0123  -0.0008 -0.0144 345 ASN D CB  
3464 C CG  . ASN D 101 ? 0.1384 0.1079 0.1397 0.0144  -0.0040 -0.0158 345 ASN D CG  
3465 O OD1 . ASN D 101 ? 0.1377 0.1078 0.1391 0.0163  -0.0041 -0.0167 345 ASN D OD1 
3466 N ND2 . ASN D 101 ? 0.1494 0.1152 0.1502 0.0143  -0.0065 -0.0162 345 ASN D ND2 
3467 N N   . PHE D 102 ? 0.1274 0.1074 0.1263 0.0110  0.0081  -0.0143 346 PHE D N   
3468 C CA  . PHE D 102 ? 0.1326 0.1145 0.1324 0.0086  0.0111  -0.0133 346 PHE D CA  
3469 C C   . PHE D 102 ? 0.1360 0.1225 0.1397 0.0069  0.0121  -0.0135 346 PHE D C   
3470 O O   . PHE D 102 ? 0.1345 0.1223 0.1403 0.0048  0.0122  -0.0127 346 PHE D O   
3471 C CB  . PHE D 102 ? 0.1350 0.1166 0.1320 0.0094  0.0145  -0.0134 346 PHE D CB  
3472 C CG  . PHE D 102 ? 0.1436 0.1265 0.1418 0.0069  0.0180  -0.0125 346 PHE D CG  
3473 C CD1 . PHE D 102 ? 0.1427 0.1296 0.1440 0.0053  0.0206  -0.0132 346 PHE D CD1 
3474 C CD2 . PHE D 102 ? 0.1467 0.1268 0.1432 0.0060  0.0186  -0.0112 346 PHE D CD2 
3475 C CE1 . PHE D 102 ? 0.1378 0.1254 0.1407 0.0027  0.0237  -0.0128 346 PHE D CE1 
3476 C CE2 . PHE D 102 ? 0.1476 0.1282 0.1452 0.0038  0.0218  -0.0105 346 PHE D CE2 
3477 C CZ  . PHE D 102 ? 0.1433 0.1273 0.1441 0.0020  0.0244  -0.0115 346 PHE D CZ  
3478 N N   . LYS D 103 ? 0.1408 0.1303 0.1456 0.0082  0.0127  -0.0148 347 LYS D N   
3479 C CA  . LYS D 103 ? 0.1423 0.1372 0.1509 0.0067  0.0138  -0.0153 347 LYS D CA  
3480 C C   . LYS D 103 ? 0.1304 0.1263 0.1412 0.0062  0.0111  -0.0146 347 LYS D C   
3481 O O   . LYS D 103 ? 0.1201 0.1197 0.1336 0.0044  0.0118  -0.0146 347 LYS D O   
3482 C CB  . LYS D 103 ? 0.1568 0.1555 0.1663 0.0084  0.0149  -0.0169 347 LYS D CB  
3483 C CG  . LYS D 103 ? 0.1747 0.1747 0.1836 0.0078  0.0188  -0.0174 347 LYS D CG  
3484 C CD  . LYS D 103 ? 0.1992 0.2011 0.2072 0.0105  0.0197  -0.0185 347 LYS D CD  
3485 C CE  . LYS D 103 ? 0.2209 0.2234 0.2282 0.0098  0.0239  -0.0183 347 LYS D CE  
3486 N NZ  . LYS D 103 ? 0.2536 0.2607 0.2618 0.0115  0.0256  -0.0194 347 LYS D NZ  
3487 N N   . ASP D 104 ? 0.1245 0.1170 0.1343 0.0080  0.0081  -0.0140 348 ASP D N   
3488 C CA  . ASP D 104 ? 0.1216 0.1143 0.1333 0.0079  0.0057  -0.0127 348 ASP D CA  
3489 C C   . ASP D 104 ? 0.1188 0.1101 0.1308 0.0057  0.0054  -0.0110 348 ASP D C   
3490 O O   . ASP D 104 ? 0.1194 0.1132 0.1335 0.0049  0.0047  -0.0099 348 ASP D O   
3491 C CB  . ASP D 104 ? 0.1235 0.1122 0.1343 0.0102  0.0028  -0.0125 348 ASP D CB  
3492 C CG  . ASP D 104 ? 0.1306 0.1213 0.1412 0.0129  0.0029  -0.0141 348 ASP D CG  
3493 O OD1 . ASP D 104 ? 0.1316 0.1191 0.1399 0.0150  0.0022  -0.0153 348 ASP D OD1 
3494 O OD2 . ASP D 104 ? 0.1277 0.1237 0.1405 0.0130  0.0037  -0.0143 348 ASP D OD2 
3495 N N   . GLN D 105 ? 0.1194 0.1074 0.1292 0.0050  0.0060  -0.0107 349 GLN D N   
3496 C CA  . GLN D 105 ? 0.1146 0.1017 0.1247 0.0032  0.0059  -0.0092 349 GLN D CA  
3497 C C   . GLN D 105 ? 0.1124 0.1034 0.1239 0.0013  0.0083  -0.0094 349 GLN D C   
3498 O O   . GLN D 105 ? 0.1097 0.1022 0.1226 0.0002  0.0079  -0.0083 349 GLN D O   
3499 C CB  . GLN D 105 ? 0.1190 0.1022 0.1261 0.0034  0.0062  -0.0092 349 GLN D CB  
3500 C CG  . GLN D 105 ? 0.1261 0.1054 0.1321 0.0049  0.0032  -0.0092 349 GLN D CG  
3501 C CD  . GLN D 105 ? 0.1418 0.1182 0.1443 0.0060  0.0034  -0.0100 349 GLN D CD  
3502 O OE1 . GLN D 105 ? 0.1460 0.1227 0.1465 0.0059  0.0060  -0.0100 349 GLN D OE1 
3503 N NE2 . GLN D 105 ? 0.1482 0.1217 0.1500 0.0075  0.0006  -0.0108 349 GLN D NE2 
3504 N N   . VAL D 106 ? 0.1098 0.1024 0.1210 0.0011  0.0109  -0.0110 350 VAL D N   
3505 C CA  . VAL D 106 ? 0.1145 0.1108 0.1277 -0.0008 0.0132  -0.0118 350 VAL D CA  
3506 C C   . VAL D 106 ? 0.1126 0.1138 0.1287 -0.0009 0.0119  -0.0121 350 VAL D C   
3507 O O   . VAL D 106 ? 0.1080 0.1112 0.1253 -0.0022 0.0120  -0.0118 350 VAL D O   
3508 C CB  . VAL D 106 ? 0.1220 0.1194 0.1353 -0.0012 0.0164  -0.0135 350 VAL D CB  
3509 C CG1 . VAL D 106 ? 0.1279 0.1297 0.1443 -0.0035 0.0184  -0.0149 350 VAL D CG1 
3510 C CG2 . VAL D 106 ? 0.1222 0.1147 0.1320 -0.0009 0.0181  -0.0127 350 VAL D CG2 
3511 N N   . ILE D 107 ? 0.1126 0.1158 0.1296 0.0008  0.0106  -0.0126 351 ILE D N   
3512 C CA  . ILE D 107 ? 0.1106 0.1189 0.1300 0.0015  0.0094  -0.0127 351 ILE D CA  
3513 C C   . ILE D 107 ? 0.1105 0.1177 0.1298 0.0015  0.0074  -0.0103 351 ILE D C   
3514 O O   . ILE D 107 ? 0.1086 0.1201 0.1295 0.0012  0.0072  -0.0102 351 ILE D O   
3515 C CB  . ILE D 107 ? 0.1148 0.1245 0.1345 0.0040  0.0084  -0.0134 351 ILE D CB  
3516 C CG1 . ILE D 107 ? 0.1190 0.1320 0.1396 0.0038  0.0107  -0.0158 351 ILE D CG1 
3517 C CG2 . ILE D 107 ? 0.1165 0.1304 0.1379 0.0055  0.0066  -0.0127 351 ILE D CG2 
3518 C CD1 . ILE D 107 ? 0.1191 0.1330 0.1394 0.0065  0.0101  -0.0166 351 ILE D CD1 
3519 N N   . LEU D 108 ? 0.1137 0.1157 0.1315 0.0021  0.0058  -0.0085 352 LEU D N   
3520 C CA  . LEU D 108 ? 0.1154 0.1163 0.1337 0.0020  0.0041  -0.0059 352 LEU D CA  
3521 C C   . LEU D 108 ? 0.1129 0.1152 0.1313 0.0002  0.0053  -0.0055 352 LEU D C   
3522 O O   . LEU D 108 ? 0.1123 0.1176 0.1318 0.0002  0.0048  -0.0041 352 LEU D O   
3523 C CB  . LEU D 108 ? 0.1226 0.1176 0.1398 0.0025  0.0024  -0.0047 352 LEU D CB  
3524 C CG  . LEU D 108 ? 0.1266 0.1201 0.1450 0.0021  0.0008  -0.0018 352 LEU D CG  
3525 C CD1 . LEU D 108 ? 0.1292 0.1255 0.1493 0.0033  0.0000  -0.0001 352 LEU D CD1 
3526 C CD2 . LEU D 108 ? 0.1320 0.1198 0.1497 0.0022  -0.0009 -0.0014 352 LEU D CD2 
3527 N N   . LEU D 109 ? 0.1146 0.1144 0.1315 -0.0010 0.0068  -0.0064 353 LEU D N   
3528 C CA  . LEU D 109 ? 0.1209 0.1211 0.1375 -0.0024 0.0080  -0.0059 353 LEU D CA  
3529 C C   . LEU D 109 ? 0.1242 0.1298 0.1424 -0.0031 0.0092  -0.0076 353 LEU D C   
3530 O O   . LEU D 109 ? 0.1084 0.1162 0.1270 -0.0034 0.0090  -0.0068 353 LEU D O   
3531 C CB  . LEU D 109 ? 0.1236 0.1198 0.1378 -0.0031 0.0096  -0.0065 353 LEU D CB  
3532 C CG  . LEU D 109 ? 0.1252 0.1169 0.1378 -0.0024 0.0080  -0.0050 353 LEU D CG  
3533 C CD1 . LEU D 109 ? 0.1297 0.1179 0.1395 -0.0024 0.0098  -0.0057 353 LEU D CD1 
3534 C CD2 . LEU D 109 ? 0.1241 0.1160 0.1374 -0.0028 0.0066  -0.0027 353 LEU D CD2 
3535 N N   . ASN D 110 ? 0.1342 0.1423 0.1535 -0.0031 0.0103  -0.0099 354 ASN D N   
3536 C CA  . ASN D 110 ? 0.1498 0.1635 0.1712 -0.0040 0.0113  -0.0122 354 ASN D CA  
3537 C C   . ASN D 110 ? 0.1538 0.1724 0.1764 -0.0025 0.0094  -0.0114 354 ASN D C   
3538 O O   . ASN D 110 ? 0.1680 0.1912 0.1918 -0.0030 0.0097  -0.0128 354 ASN D O   
3539 C CB  . ASN D 110 ? 0.1606 0.1768 0.1836 -0.0044 0.0128  -0.0149 354 ASN D CB  
3540 C CG  . ASN D 110 ? 0.1763 0.1895 0.1990 -0.0063 0.0157  -0.0162 354 ASN D CG  
3541 O OD1 . ASN D 110 ? 0.2011 0.2111 0.2224 -0.0075 0.0167  -0.0157 354 ASN D OD1 
3542 N ND2 . ASN D 110 ? 0.1729 0.1875 0.1968 -0.0066 0.0173  -0.0180 354 ASN D ND2 
3543 N N   . LYS D 111 ? 0.1498 0.1673 0.1720 -0.0006 0.0075  -0.0091 355 LYS D N   
3544 C CA  . LYS D 111 ? 0.1700 0.1917 0.1930 0.0012  0.0058  -0.0076 355 LYS D CA  
3545 C C   . LYS D 111 ? 0.1478 0.1697 0.1702 0.0009  0.0054  -0.0053 355 LYS D C   
3546 O O   . LYS D 111 ? 0.1453 0.1720 0.1683 0.0024  0.0047  -0.0045 355 LYS D O   
3547 C CB  . LYS D 111 ? 0.2080 0.2267 0.2307 0.0031  0.0043  -0.0057 355 LYS D CB  
3548 C CG  . LYS D 111 ? 0.2795 0.3017 0.3029 0.0057  0.0029  -0.0041 355 LYS D CG  
3549 C CD  . LYS D 111 ? 0.3498 0.3671 0.3728 0.0073  0.0014  -0.0020 355 LYS D CD  
3550 C CE  . LYS D 111 ? 0.3928 0.4131 0.4162 0.0102  0.0003  -0.0001 355 LYS D CE  
3551 N NZ  . LYS D 111 ? 0.4540 0.4683 0.4772 0.0116  -0.0009 0.0025  355 LYS D NZ  
3552 N N   . HIS D 112 ? 0.1340 0.1509 0.1552 -0.0003 0.0059  -0.0042 356 HIS D N   
3553 C CA  . HIS D 112 ? 0.1289 0.1456 0.1497 -0.0004 0.0054  -0.0015 356 HIS D CA  
3554 C C   . HIS D 112 ? 0.1227 0.1405 0.1428 -0.0017 0.0069  -0.0030 356 HIS D C   
3555 O O   . HIS D 112 ? 0.1333 0.1536 0.1532 -0.0012 0.0068  -0.0017 356 HIS D O   
3556 C CB  . HIS D 112 ? 0.1317 0.1428 0.1520 -0.0006 0.0044  0.0011  356 HIS D CB  
3557 C CG  . HIS D 112 ? 0.1347 0.1448 0.1561 0.0007  0.0028  0.0030  356 HIS D CG  
3558 N ND1 . HIS D 112 ? 0.1316 0.1449 0.1540 0.0022  0.0021  0.0056  356 HIS D ND1 
3559 C CD2 . HIS D 112 ? 0.1375 0.1439 0.1589 0.0012  0.0020  0.0026  356 HIS D CD2 
3560 C CE1 . HIS D 112 ? 0.1378 0.1487 0.1609 0.0034  0.0009  0.0069  356 HIS D CE1 
3561 N NE2 . HIS D 112 ? 0.1349 0.1416 0.1574 0.0028  0.0007  0.0049  356 HIS D NE2 
3562 N N   . ILE D 113 ? 0.1253 0.1407 0.1449 -0.0032 0.0086  -0.0056 357 ILE D N   
3563 C CA  . ILE D 113 ? 0.1283 0.1434 0.1471 -0.0045 0.0102  -0.0071 357 ILE D CA  
3564 C C   . ILE D 113 ? 0.1293 0.1506 0.1494 -0.0043 0.0104  -0.0095 357 ILE D C   
3565 O O   . ILE D 113 ? 0.1248 0.1493 0.1465 -0.0045 0.0106  -0.0121 357 ILE D O   
3566 C CB  . ILE D 113 ? 0.1337 0.1444 0.1517 -0.0060 0.0122  -0.0089 357 ILE D CB  
3567 C CG1 . ILE D 113 ? 0.1370 0.1421 0.1531 -0.0057 0.0118  -0.0067 357 ILE D CG1 
3568 C CG2 . ILE D 113 ? 0.1298 0.1400 0.1473 -0.0073 0.0143  -0.0109 357 ILE D CG2 
3569 C CD1 . ILE D 113 ? 0.1500 0.1509 0.1649 -0.0064 0.0137  -0.0079 357 ILE D CD1 
3570 N N   . ASP D 114 ? 0.1351 0.1586 0.1544 -0.0036 0.0101  -0.0085 358 ASP D N   
3571 C CA  . ASP D 114 ? 0.1434 0.1730 0.1635 -0.0030 0.0100  -0.0109 358 ASP D CA  
3572 C C   . ASP D 114 ? 0.1462 0.1817 0.1676 -0.0012 0.0085  -0.0111 358 ASP D C   
3573 O O   . ASP D 114 ? 0.1625 0.2037 0.1851 -0.0009 0.0084  -0.0143 358 ASP D O   
3574 C CB  . ASP D 114 ? 0.1554 0.1845 0.1763 -0.0050 0.0118  -0.0153 358 ASP D CB  
3575 C CG  . ASP D 114 ? 0.1632 0.1877 0.1823 -0.0060 0.0134  -0.0155 358 ASP D CG  
3576 O OD1 . ASP D 114 ? 0.1481 0.1719 0.1655 -0.0048 0.0129  -0.0127 358 ASP D OD1 
3577 O OD2 . ASP D 114 ? 0.1888 0.2102 0.2085 -0.0080 0.0153  -0.0181 358 ASP D OD2 
3578 N N   . ALA D 115 ? 0.1445 0.1790 0.1659 0.0000  0.0073  -0.0078 359 ALA D N   
3579 C CA  . ALA D 115 ? 0.1415 0.1813 0.1638 0.0022  0.0060  -0.0075 359 ALA D CA  
3580 C C   . ALA D 115 ? 0.1404 0.1870 0.1622 0.0044  0.0053  -0.0072 359 ALA D C   
3581 O O   . ALA D 115 ? 0.1377 0.1906 0.1603 0.0061  0.0046  -0.0090 359 ALA D O   
3582 C CB  . ALA D 115 ? 0.1368 0.1731 0.1590 0.0033  0.0050  -0.0037 359 ALA D CB  
3583 N N   . TYR D 116 ? 0.1413 0.1872 0.1617 0.0046  0.0056  -0.0051 360 TYR D N   
3584 C CA  . TYR D 116 ? 0.1548 0.2070 0.1742 0.0071  0.0051  -0.0042 360 TYR D CA  
3585 C C   . TYR D 116 ? 0.1622 0.2209 0.1821 0.0075  0.0049  -0.0094 360 TYR D C   
3586 O O   . TYR D 116 ? 0.1602 0.2258 0.1794 0.0104  0.0040  -0.0094 360 TYR D O   
3587 C CB  . TYR D 116 ? 0.1656 0.2160 0.1835 0.0070  0.0057  -0.0020 360 TYR D CB  
3588 C CG  . TYR D 116 ? 0.1690 0.2176 0.1864 0.0050  0.0069  -0.0059 360 TYR D CG  
3589 C CD1 . TYR D 116 ? 0.1786 0.2326 0.1953 0.0060  0.0069  -0.0092 360 TYR D CD1 
3590 C CD2 . TYR D 116 ? 0.1705 0.2121 0.1879 0.0024  0.0080  -0.0064 360 TYR D CD2 
3591 C CE1 . TYR D 116 ? 0.1911 0.2427 0.2074 0.0043  0.0081  -0.0129 360 TYR D CE1 
3592 C CE2 . TYR D 116 ? 0.1885 0.2279 0.2053 0.0009  0.0093  -0.0096 360 TYR D CE2 
3593 C CZ  . TYR D 116 ? 0.1986 0.2426 0.2150 0.0017  0.0094  -0.0129 360 TYR D CZ  
3594 O OH  . TYR D 116 ? 0.2118 0.2529 0.2278 0.0001  0.0108  -0.0163 360 TYR D OH  
3595 N N   . LYS D 117 ? 0.1648 0.2214 0.1860 0.0048  0.0058  -0.0138 361 LYS D N   
3596 C CA  . LYS D 117 ? 0.1958 0.2581 0.2182 0.0045  0.0058  -0.0192 361 LYS D CA  
3597 C C   . LYS D 117 ? 0.2040 0.2738 0.2278 0.0067  0.0043  -0.0207 361 LYS D C   
3598 O O   . LYS D 117 ? 0.2038 0.2807 0.2282 0.0077  0.0036  -0.0246 361 LYS D O   
3599 C CB  . LYS D 117 ? 0.2105 0.2686 0.2348 0.0008  0.0074  -0.0234 361 LYS D CB  
3600 C CG  . LYS D 117 ? 0.2192 0.2705 0.2420 -0.0009 0.0090  -0.0228 361 LYS D CG  
3601 C CD  . LYS D 117 ? 0.2429 0.2902 0.2675 -0.0043 0.0109  -0.0268 361 LYS D CD  
3602 C CE  . LYS D 117 ? 0.2707 0.3116 0.2935 -0.0055 0.0125  -0.0264 361 LYS D CE  
3603 N NZ  . LYS D 117 ? 0.3284 0.3647 0.3530 -0.0087 0.0147  -0.0295 361 LYS D NZ  
3604 N N   . THR D 118 ? 0.2126 0.2813 0.2367 0.0077  0.0038  -0.0178 362 THR D N   
3605 C CA  . THR D 118 ? 0.2060 0.2819 0.2312 0.0102  0.0024  -0.0189 362 THR D CA  
3606 C C   . THR D 118 ? 0.1930 0.2724 0.2160 0.0144  0.0013  -0.0144 362 THR D C   
3607 O O   . THR D 118 ? 0.1754 0.2606 0.1986 0.0173  0.0001  -0.0145 362 THR D O   
3608 C CB  . THR D 118 ? 0.2243 0.2972 0.2512 0.0091  0.0026  -0.0190 362 THR D CB  
3609 O OG1 . THR D 118 ? 0.2335 0.2995 0.2589 0.0096  0.0027  -0.0139 362 THR D OG1 
3610 C CG2 . THR D 118 ? 0.2610 0.3306 0.2902 0.0051  0.0042  -0.0230 362 THR D CG2 
3611 N N   . PHE D 119 ? 0.1921 0.2681 0.2129 0.0150  0.0017  -0.0101 363 PHE D N   
3612 C CA  . PHE D 119 ? 0.1973 0.2756 0.2164 0.0188  0.0010  -0.0049 363 PHE D CA  
3613 C C   . PHE D 119 ? 0.2185 0.3069 0.2363 0.0225  0.0000  -0.0066 363 PHE D C   
3614 O O   . PHE D 119 ? 0.2134 0.3056 0.2311 0.0219  0.0000  -0.0108 363 PHE D O   
3615 C CB  . PHE D 119 ? 0.1968 0.2709 0.2144 0.0186  0.0018  -0.0001 363 PHE D CB  
3616 C CG  . PHE D 119 ? 0.1906 0.2554 0.2091 0.0157  0.0025  0.0026  363 PHE D CG  
3617 C CD1 . PHE D 119 ? 0.1769 0.2371 0.1969 0.0140  0.0024  0.0014  363 PHE D CD1 
3618 C CD2 . PHE D 119 ? 0.1760 0.2371 0.1938 0.0150  0.0032  0.0064  363 PHE D CD2 
3619 C CE1 . PHE D 119 ? 0.1687 0.2208 0.1893 0.0117  0.0028  0.0035  363 PHE D CE1 
3620 C CE2 . PHE D 119 ? 0.1795 0.2327 0.1984 0.0124  0.0036  0.0083  363 PHE D CE2 
3621 C CZ  . PHE D 119 ? 0.1693 0.2180 0.1893 0.0108  0.0033  0.0068  363 PHE D CZ  
3622 N N   . PRO D 120 ? 0.2348 0.3277 0.2515 0.0267  -0.0007 -0.0035 364 PRO D N   
3623 C CA  . PRO D 120 ? 0.2904 0.3932 0.3051 0.0310  -0.0015 -0.0041 364 PRO D CA  
3624 C C   . PRO D 120 ? 0.3166 0.4188 0.3289 0.0319  -0.0007 -0.0006 364 PRO D C   
3625 O O   . PRO D 120 ? 0.3786 0.4890 0.3890 0.0349  -0.0013 -0.0026 364 PRO D O   
3626 C CB  . PRO D 120 ? 0.2857 0.3919 0.2994 0.0354  -0.0022 -0.0006 364 PRO D CB  
3627 C CG  . PRO D 120 ? 0.2883 0.3846 0.3032 0.0334  -0.0014 0.0038  364 PRO D CG  
3628 C CD  . PRO D 120 ? 0.2535 0.3423 0.2704 0.0278  -0.0007 0.0009  364 PRO D CD  
3629 S S   . SO4 E .   ? 0.6085 0.6049 0.6054 -0.0069 0.0005  -0.0147 501 SO4 A S   
3630 O O1  . SO4 E .   ? 0.6832 0.6797 0.6817 -0.0077 0.0008  -0.0171 501 SO4 A O1  
3631 O O2  . SO4 E .   ? 0.6998 0.6986 0.6940 -0.0057 0.0000  -0.0144 501 SO4 A O2  
3632 O O3  . SO4 E .   ? 0.5905 0.5838 0.5872 -0.0067 0.0012  -0.0127 501 SO4 A O3  
3633 O O4  . SO4 E .   ? 0.5842 0.5814 0.5824 -0.0073 0.0002  -0.0144 501 SO4 A O4  
3634 C C1  . 9F2 F .   ? 0.6275 0.6679 0.6451 0.0002  0.0190  0.0287  502 9F2 A C1  
3635 S S1  . 9F2 F .   ? 0.4969 0.5290 0.5119 -0.0008 0.0171  0.0247  502 9F2 A S1  
3636 C C2  . 9F2 F .   ? 0.5277 0.5572 0.5432 -0.0008 0.0165  0.0220  502 9F2 A C2  
3637 C C3  . 9F2 F .   ? 0.5599 0.5928 0.5744 0.0019  0.0181  0.0215  502 9F2 A C3  
3638 C C4  . 9F2 F .   ? 0.5701 0.5991 0.5831 0.0028  0.0178  0.0182  502 9F2 A C4  
3639 S S2  . 9F2 F .   ? 0.5500 0.5738 0.5583 0.0047  0.0179  0.0137  502 9F2 A S2  
3640 C C5  . 9F2 F .   ? 0.5164 0.5339 0.5242 0.0023  0.0160  0.0118  502 9F2 A C5  
3641 N N1  . 9F2 F .   ? 0.4689 0.4853 0.4793 -0.0001 0.0147  0.0133  502 9F2 A N1  
3642 C C6  . 9F2 F .   ? 0.4025 0.4145 0.4123 -0.0016 0.0133  0.0118  502 9F2 A C6  
3643 O O1  . 9F2 F .   ? 0.4235 0.4346 0.4357 -0.0036 0.0120  0.0130  502 9F2 A O1  
3644 C C7  . 9F2 F .   ? 0.4140 0.4229 0.4210 -0.0008 0.0132  0.0092  502 9F2 A C7  
3645 O O2  . 9F2 F .   ? 0.4067 0.4122 0.4132 -0.0020 0.0121  0.0081  502 9F2 A O2  
3646 N N2  . 9F2 F .   ? 0.4362 0.4462 0.4409 0.0013  0.0145  0.0077  502 9F2 A N2  
3647 N N3  . 9F2 F .   ? 0.4789 0.4932 0.4838 0.0031  0.0159  0.0089  502 9F2 A N3  
3648 C C8  . 9F2 F .   ? 0.4976 0.5130 0.4999 0.0058  0.0171  0.0069  502 9F2 A C8  
3649 C C9  . 9F2 F .   ? 0.6208 0.6600 0.6359 0.0034  0.0197  0.0241  502 9F2 A C9  
3650 N N4  . 9F2 F .   ? 0.6275 0.6703 0.6452 0.0018  0.0198  0.0280  502 9F2 A N4  
3651 C C10 . 9F2 F .   ? 0.6985 0.7478 0.7170 0.0031  0.0214  0.0314  502 9F2 A C10 
3652 O O3  . 9F2 F .   ? 0.8178 0.8732 0.8378 0.0044  0.0228  0.0338  502 9F2 A O3  
3653 C C11 . 9F2 F .   ? 0.6661 0.7121 0.6816 0.0031  0.0209  0.0301  502 9F2 A C11 
3654 N N5  . 9F2 F .   ? 0.6799 0.7276 0.6947 0.0033  0.0213  0.0322  502 9F2 A N5  
3655 C C12 . 9F2 F .   ? 0.6415 0.6854 0.6576 0.0007  0.0200  0.0332  502 9F2 A C12 
3656 O O4  . 9F2 F .   ? 0.6293 0.6706 0.6492 -0.0022 0.0187  0.0342  502 9F2 A O4  
3657 C C13 . 9F2 F .   ? 0.6485 0.6923 0.6620 0.0016  0.0202  0.0337  502 9F2 A C13 
3658 N N6  . 9F2 F .   ? 0.6993 0.7487 0.7117 0.0037  0.0219  0.0363  502 9F2 A N6  
3659 O O5  . 9F2 F .   ? 0.7658 0.8218 0.7808 0.0045  0.0235  0.0398  502 9F2 A O5  
3660 C C14 . 9F2 F .   ? 0.7434 0.8056 0.7578 0.0065  0.0252  0.0436  502 9F2 A C14 
3661 C C15 . 9F2 F .   ? 0.5940 0.6313 0.6056 0.0005  0.0186  0.0306  502 9F2 A C15 
3662 C C16 . 9F2 F .   ? 0.5720 0.6032 0.5842 -0.0014 0.0168  0.0278  502 9F2 A C16 
3663 S S3  . 9F2 F .   ? 0.5442 0.5699 0.5536 -0.0019 0.0154  0.0252  502 9F2 A S3  
3664 C C17 . 9F2 F .   ? 0.6161 0.6472 0.6234 0.0004  0.0170  0.0275  502 9F2 A C17 
3665 N N7  . 9F2 F .   ? 0.6351 0.6651 0.6398 0.0012  0.0166  0.0267  502 9F2 A N7  
3666 N N8  . 9F2 F .   ? 0.5600 0.5972 0.5687 0.0016  0.0186  0.0305  502 9F2 A N8  
3667 C C18 . 9F2 F .   ? 0.6597 0.7025 0.6729 0.0069  0.0214  0.0233  502 9F2 A C18 
3668 O O6  . 9F2 F .   ? 0.5599 0.5989 0.5703 0.0085  0.0214  0.0198  502 9F2 A O6  
3669 O O7  . 9F2 F .   ? 0.6779 0.7271 0.6928 0.0078  0.0226  0.0264  502 9F2 A O7  
3670 C C1  . 9F2 G .   ? 0.4037 0.4192 0.4079 -0.0001 0.0140  0.0127  503 9F2 A C1  
3671 S S1  . 9F2 G .   ? 0.3576 0.3771 0.3650 -0.0002 0.0149  0.0158  503 9F2 A S1  
3672 C C2  . 9F2 G .   ? 0.3474 0.3636 0.3584 -0.0035 0.0130  0.0171  503 9F2 A C2  
3673 C C3  . 9F2 G .   ? 0.3391 0.3528 0.3501 -0.0051 0.0119  0.0178  503 9F2 A C3  
3674 C C4  . 9F2 G .   ? 0.3456 0.3583 0.3605 -0.0076 0.0106  0.0199  503 9F2 A C4  
3675 S S2  . 9F2 G .   ? 0.3845 0.4015 0.4021 -0.0084 0.0114  0.0248  503 9F2 A S2  
3676 C C5  . 9F2 G .   ? 0.3575 0.3797 0.3793 -0.0089 0.0123  0.0275  503 9F2 A C5  
3677 N N1  . 9F2 G .   ? 0.3247 0.3472 0.3468 -0.0085 0.0122  0.0258  503 9F2 A N1  
3678 C C6  . 9F2 G .   ? 0.3484 0.3757 0.3740 -0.0090 0.0128  0.0282  503 9F2 A C6  
3679 O O1  . 9F2 G .   ? 0.3576 0.3854 0.3835 -0.0084 0.0127  0.0267  503 9F2 A O1  
3680 C C7  . 9F2 G .   ? 0.3145 0.3460 0.3435 -0.0100 0.0135  0.0324  503 9F2 A C7  
3681 O O2  . 9F2 G .   ? 0.2905 0.3267 0.3231 -0.0106 0.0140  0.0348  503 9F2 A O2  
3682 N N2  . 9F2 G .   ? 0.3488 0.3797 0.3775 -0.0104 0.0137  0.0342  503 9F2 A N2  
3683 N N3  . 9F2 G .   ? 0.3548 0.3809 0.3797 -0.0098 0.0130  0.0317  503 9F2 A N3  
3684 C C8  . 9F2 G .   ? 0.3758 0.4017 0.4003 -0.0099 0.0133  0.0339  503 9F2 A C8  
3685 C C9  . 9F2 G .   ? 0.3353 0.3478 0.3434 -0.0042 0.0119  0.0164  503 9F2 A C9  
3686 N N4  . 9F2 G .   ? 0.3708 0.3843 0.3757 -0.0019 0.0128  0.0140  503 9F2 A N4  
3687 C C10 . 9F2 G .   ? 0.4124 0.4276 0.4144 -0.0002 0.0134  0.0131  503 9F2 A C10 
3688 O O3  . 9F2 G .   ? 0.4336 0.4492 0.4344 -0.0001 0.0132  0.0138  503 9F2 A O3  
3689 C C11 . 9F2 G .   ? 0.4313 0.4489 0.4325 0.0017  0.0147  0.0119  503 9F2 A C11 
3690 N N5  . 9F2 G .   ? 0.4336 0.4523 0.4320 0.0042  0.0154  0.0090  503 9F2 A N5  
3691 C C12 . 9F2 G .   ? 0.4433 0.4624 0.4416 0.0056  0.0162  0.0077  503 9F2 A C12 
3692 O O4  . 9F2 G .   ? 0.4416 0.4568 0.4404 0.0049  0.0158  0.0059  503 9F2 A O4  
3693 C C13 . 9F2 G .   ? 0.4332 0.4573 0.4293 0.0086  0.0176  0.0076  503 9F2 A C13 
3694 N N6  . 9F2 G .   ? 0.4567 0.4846 0.4541 0.0097  0.0188  0.0098  503 9F2 A N6  
3695 O O5  . 9F2 G .   ? 0.5917 0.6188 0.5927 0.0072  0.0185  0.0125  503 9F2 A O5  
3696 C C14 . 9F2 G .   ? 0.5503 0.5827 0.5530 0.0083  0.0198  0.0153  503 9F2 A C14 
3697 C C15 . 9F2 G .   ? 0.3666 0.3919 0.3593 0.0108  0.0177  0.0048  503 9F2 A C15 
3698 C C16 . 9F2 G .   ? 0.3583 0.3803 0.3495 0.0100  0.0164  0.0022  503 9F2 A C16 
3699 S S3  . 9F2 G .   ? 0.3254 0.3506 0.3129 0.0131  0.0166  -0.0008 503 9F2 A S3  
3700 C C17 . 9F2 G .   ? 0.3426 0.3733 0.3299 0.0158  0.0184  0.0012  503 9F2 A C17 
3701 N N7  . 9F2 G .   ? 0.3127 0.3480 0.2972 0.0192  0.0193  0.0000  503 9F2 A N7  
3702 N N8  . 9F2 G .   ? 0.3441 0.3742 0.3345 0.0141  0.0189  0.0044  503 9F2 A N8  
3703 C C18 . 9F2 G .   ? 0.3199 0.3301 0.3280 -0.0054 0.0108  0.0174  503 9F2 A C18 
3704 O O6  . 9F2 G .   ? 0.2968 0.3050 0.3023 -0.0047 0.0104  0.0152  503 9F2 A O6  
3705 O O7  . 9F2 G .   ? 0.3139 0.3246 0.3248 -0.0069 0.0105  0.0204  503 9F2 A O7  
3706 C C1  . PEG H .   ? 0.3887 0.4484 0.4044 0.0146  0.0054  0.0135  501 PEG D C1  
3707 O O1  . PEG H .   ? 0.3681 0.4227 0.3849 0.0129  0.0058  0.0173  501 PEG D O1  
3708 C C2  . PEG H .   ? 0.3672 0.4307 0.3811 0.0151  0.0058  0.0097  501 PEG D C2  
3709 O O2  . PEG H .   ? 0.3313 0.3952 0.3454 0.0140  0.0054  0.0038  501 PEG D O2  
3710 C C3  . PEG H .   ? 0.3153 0.3850 0.3295 0.0163  0.0044  0.0025  501 PEG D C3  
3711 C C4  . PEG H .   ? 0.3022 0.3741 0.3171 0.0151  0.0040  -0.0039 501 PEG D C4  
3712 O O4  . PEG H .   ? 0.3846 0.4605 0.3984 0.0157  0.0041  -0.0078 501 PEG D O4  
3713 C C1  . 9F2 I .   ? 0.6020 0.5662 0.6326 -0.0057 -0.0198 -0.0027 502 9F2 D C1  
3714 S S1  . 9F2 I .   ? 0.5592 0.5196 0.5933 -0.0066 -0.0239 -0.0057 502 9F2 D S1  
3715 C C2  . 9F2 I .   ? 0.5455 0.5100 0.5856 -0.0100 -0.0240 -0.0023 502 9F2 D C2  
3716 C C3  . 9F2 I .   ? 0.5465 0.5164 0.5841 -0.0096 -0.0222 -0.0011 502 9F2 D C3  
3717 C C4  . 9F2 I .   ? 0.6021 0.5757 0.6435 -0.0115 -0.0235 -0.0005 502 9F2 D C4  
3718 S S2  . 9F2 I .   ? 0.6854 0.6608 0.7230 -0.0095 -0.0255 -0.0046 502 9F2 D S2  
3719 C C5  . 9F2 I .   ? 0.6858 0.6632 0.7302 -0.0120 -0.0293 -0.0062 502 9F2 D C5  
3720 N N1  . 9F2 I .   ? 0.6598 0.6359 0.7112 -0.0152 -0.0302 -0.0046 502 9F2 D N1  
3721 C C6  . 9F2 I .   ? 0.6740 0.6518 0.7316 -0.0176 -0.0330 -0.0059 502 9F2 D C6  
3722 O O1  . 9F2 I .   ? 0.6182 0.5942 0.6825 -0.0207 -0.0335 -0.0041 502 9F2 D O1  
3723 C C7  . 9F2 I .   ? 0.6674 0.6489 0.7237 -0.0165 -0.0352 -0.0091 502 9F2 D C7  
3724 O O2  . 9F2 I .   ? 0.7122 0.6960 0.7744 -0.0187 -0.0380 -0.0107 502 9F2 D O2  
3725 N N2  . 9F2 I .   ? 0.6360 0.6189 0.6846 -0.0127 -0.0342 -0.0105 502 9F2 D N2  
3726 N N3  . 9F2 I .   ? 0.6435 0.6241 0.6860 -0.0105 -0.0310 -0.0089 502 9F2 D N3  
3727 C C8  . 9F2 I .   ? 0.6335 0.6151 0.6682 -0.0068 -0.0295 -0.0101 502 9F2 D C8  
3728 C C9  . 9F2 I .   ? 0.5469 0.5183 0.5795 -0.0078 -0.0195 -0.0005 502 9F2 D C9  
3729 N N4  . 9F2 I .   ? 0.5626 0.5314 0.5924 -0.0062 -0.0183 -0.0012 502 9F2 D N4  
3730 C C10 . 9F2 I .   ? 0.5520 0.5212 0.5767 -0.0041 -0.0162 -0.0021 502 9F2 D C10 
3731 O O3  . 9F2 I .   ? 0.4111 0.3827 0.4324 -0.0033 -0.0141 -0.0019 502 9F2 D O3  
3732 C C11 . 9F2 I .   ? 0.6302 0.5951 0.6552 -0.0032 -0.0176 -0.0039 502 9F2 D C11 
3733 N N5  . 9F2 I .   ? 0.7277 0.6902 0.7521 -0.0020 -0.0171 -0.0041 502 9F2 D N5  
3734 C C12 . 9F2 I .   ? 0.7108 0.6694 0.7339 -0.0004 -0.0189 -0.0071 502 9F2 D C12 
3735 O O4  . 9F2 I .   ? 0.6139 0.5687 0.6400 -0.0009 -0.0208 -0.0073 502 9F2 D O4  
3736 C C13 . 9F2 I .   ? 0.8349 0.7933 0.8527 0.0020  -0.0187 -0.0103 502 9F2 D C13 
3737 N N6  . 9F2 I .   ? 0.7884 0.7491 0.8030 0.0032  -0.0159 -0.0099 502 9F2 D N6  
3738 O O5  . 9F2 I .   ? 0.6814 0.6438 0.6982 0.0022  -0.0142 -0.0072 502 9F2 D O5  
3739 C C14 . 9F2 I .   ? 0.6085 0.5738 0.6223 0.0033  -0.0113 -0.0072 502 9F2 D C14 
3740 C C15 . 9F2 I .   ? 1.0092 0.9657 1.0256 0.0032  -0.0212 -0.0138 502 9F2 D C15 
3741 C C16 . 9F2 I .   ? 1.1336 1.0887 1.1536 0.0016  -0.0243 -0.0148 502 9F2 D C16 
3742 S S3  . 9F2 I .   ? 1.3219 1.2760 1.3382 0.0041  -0.0267 -0.0194 502 9F2 D S3  
3743 C C17 . 9F2 I .   ? 1.0908 1.0462 1.1007 0.0072  -0.0234 -0.0195 502 9F2 D C17 
3744 N N7  . 9F2 I .   ? 0.9558 0.9112 0.9605 0.0104  -0.0235 -0.0222 502 9F2 D N7  
3745 N N8  . 9F2 I .   ? 1.0757 1.0324 1.0866 0.0061  -0.0206 -0.0164 502 9F2 D N8  
3746 C C18 . 9F2 I .   ? 0.5557 0.5316 0.5857 -0.0073 -0.0173 0.0008  502 9F2 D C18 
3747 O O6  . 9F2 I .   ? 0.4932 0.4708 0.5223 -0.0068 -0.0183 -0.0004 502 9F2 D O6  
3748 O O7  . 9F2 I .   ? 0.5856 0.5634 0.6153 -0.0075 -0.0149 0.0033  502 9F2 D O7  
3749 O O   . HOH J .   ? 0.2146 0.1833 0.1941 0.0127  -0.0135 -0.0067 601 HOH A O   
3750 O O   . HOH J .   ? 0.7073 0.7250 0.7219 -0.0010 0.0141  0.0146  602 HOH A O   
3751 O O   . HOH J .   ? 0.3886 0.4143 0.3910 0.0264  -0.0004 0.0058  603 HOH A O   
3752 O O   . HOH J .   ? 0.3745 0.3498 0.3801 0.0000  -0.0230 -0.0149 604 HOH A O   
3753 O O   . HOH J .   ? 0.5582 0.5977 0.5507 0.0266  0.0025  0.0098  605 HOH A O   
3754 O O   . HOH J .   ? 0.1747 0.1586 0.1687 -0.0006 -0.0021 -0.0044 606 HOH A O   
3755 O O   . HOH J .   ? 0.3271 0.3162 0.3177 0.0023  -0.0034 -0.0048 607 HOH A O   
3756 O O   . HOH J .   ? 0.3815 0.4276 0.4013 0.0171  -0.0085 0.0019  608 HOH A O   
3757 O O   . HOH J .   ? 0.4480 0.4329 0.4602 -0.0099 -0.0023 -0.0531 609 HOH A O   
3758 O O   . HOH J .   ? 0.3915 0.3765 0.3786 0.0101  -0.0073 -0.0057 610 HOH A O   
3759 O O   . HOH J .   ? 0.3033 0.2945 0.3166 -0.0135 0.0028  -0.0181 611 HOH A O   
3760 O O   . HOH J .   ? 0.3469 0.3364 0.3416 0.0002  -0.0013 -0.0044 612 HOH A O   
3761 O O   . HOH J .   ? 0.5184 0.5147 0.5127 -0.0010 0.0088  -0.0074 613 HOH A O   
3762 O O   . HOH J .   ? 0.3180 0.3067 0.3424 -0.0158 -0.0073 0.0069  614 HOH A O   
3763 O O   . HOH J .   ? 0.1724 0.1689 0.1928 -0.0114 -0.0012 0.0077  615 HOH A O   
3764 O O   . HOH J .   ? 0.5820 0.5403 0.5881 -0.0039 -0.0240 -0.0124 616 HOH A O   
3765 O O   . HOH J .   ? 0.4056 0.4141 0.4219 -0.0055 0.0094  0.0123  617 HOH A O   
3766 O O   . HOH J .   ? 0.1808 0.1769 0.1795 -0.0026 0.0093  -0.0003 618 HOH A O   
3767 O O   . HOH J .   ? 0.4744 0.4930 0.4954 -0.0076 0.0110  0.0202  619 HOH A O   
3768 O O   . HOH J .   ? 0.2795 0.2756 0.2848 -0.0108 0.0004  -0.0267 620 HOH A O   
3769 O O   . HOH J .   ? 0.3014 0.3202 0.2890 0.0233  -0.0010 0.0032  621 HOH A O   
3770 O O   . HOH J .   ? 0.5304 0.5249 0.5238 -0.0049 0.0027  -0.0125 622 HOH A O   
3771 O O   . HOH J .   ? 0.1250 0.1265 0.1387 -0.0036 0.0086  0.0079  623 HOH A O   
3772 O O   . HOH J .   ? 0.2918 0.2634 0.3132 -0.0141 0.0069  -0.0256 624 HOH A O   
3773 O O   . HOH J .   ? 0.3312 0.3099 0.3370 0.0030  0.0157  -0.0070 625 HOH A O   
3774 O O   . HOH J .   ? 0.1568 0.1712 0.1891 0.0158  0.0285  0.0402  626 HOH A O   
3775 O O   . HOH J .   ? 0.4329 0.4512 0.4307 0.0260  -0.0007 0.0044  627 HOH A O   
3776 O O   . HOH J .   ? 0.2221 0.1937 0.2379 -0.0080 0.0116  -0.0090 628 HOH A O   
3777 O O   . HOH J .   ? 0.3319 0.3124 0.3222 -0.0021 -0.0033 -0.0017 629 HOH A O   
3778 O O   . HOH J .   ? 0.6024 0.6318 0.6341 -0.0016 -0.0239 -0.0101 630 HOH A O   
3779 O O   . HOH J .   ? 0.3324 0.3136 0.3551 -0.0156 -0.0114 0.0034  631 HOH A O   
3780 O O   . HOH J .   ? 0.3357 0.3248 0.3600 -0.0111 -0.0199 -0.0068 632 HOH A O   
3781 O O   . HOH J .   ? 0.1223 0.1538 0.1254 0.0285  0.0135  0.0236  633 HOH A O   
3782 O O   . HOH J .   ? 0.2727 0.2464 0.2830 -0.0009 0.0143  -0.0041 634 HOH A O   
3783 O O   . HOH J .   ? 0.3795 0.4161 0.3708 0.0313  0.0046  0.0128  635 HOH A O   
3784 O O   . HOH J .   ? 0.1656 0.1444 0.1699 -0.0045 0.0098  -0.0123 636 HOH A O   
3785 O O   . HOH J .   ? 0.2344 0.2563 0.2292 0.0310  0.0017  0.0078  637 HOH A O   
3786 O O   . HOH J .   ? 0.4172 0.3773 0.4334 -0.0125 -0.0198 -0.0034 638 HOH A O   
3787 O O   . HOH J .   ? 0.2734 0.2461 0.2881 -0.0033 0.0139  -0.0014 639 HOH A O   
3788 O O   . HOH J .   ? 0.1306 0.1010 0.1354 -0.0097 -0.0054 0.0091  640 HOH A O   
3789 O O   . HOH J .   ? 0.1145 0.1018 0.1240 0.0038  0.0105  0.0066  641 HOH A O   
3790 O O   . HOH J .   ? 0.2866 0.3272 0.2936 0.0024  -0.0016 -0.0023 642 HOH A O   
3791 O O   . HOH J .   ? 0.1600 0.1525 0.1571 -0.0067 0.0026  -0.0153 643 HOH A O   
3792 O O   . HOH J .   ? 0.3361 0.3433 0.3423 0.0205  0.0105  0.0135  644 HOH A O   
3793 O O   . HOH J .   ? 0.4228 0.4480 0.4312 0.0226  0.0026  0.0085  645 HOH A O   
3794 O O   . HOH J .   ? 0.1814 0.1725 0.1876 -0.0090 0.0040  0.0094  646 HOH A O   
3795 O O   . HOH J .   ? 0.1419 0.1151 0.1468 -0.0081 -0.0076 0.0001  647 HOH A O   
3796 O O   . HOH J .   ? 0.4178 0.4003 0.4216 -0.0093 0.0002  0.0108  648 HOH A O   
3797 O O   . HOH J .   ? 0.4382 0.4735 0.4361 -0.0022 -0.0027 0.0277  649 HOH A O   
3798 O O   . HOH J .   ? 0.3064 0.2790 0.3275 -0.0080 0.0134  -0.0028 650 HOH A O   
3799 O O   . HOH J .   ? 0.2475 0.2774 0.2364 0.0351  -0.0195 -0.0144 651 HOH A O   
3800 O O   . HOH J .   ? 0.3072 0.3278 0.3081 0.0231  -0.0052 0.0003  652 HOH A O   
3801 O O   . HOH J .   ? 0.3787 0.3780 0.3817 -0.0076 -0.0023 -0.0439 653 HOH A O   
3802 O O   . HOH J .   ? 0.4474 0.4748 0.4664 0.0092  -0.0060 0.0022  654 HOH A O   
3803 O O   . HOH J .   ? 0.2060 0.2113 0.2209 0.0055  0.0091  0.0082  655 HOH A O   
3804 O O   . HOH J .   ? 0.3843 0.3977 0.3624 0.0336  -0.0064 -0.0024 656 HOH A O   
3805 O O   . HOH J .   ? 0.3252 0.2939 0.3135 0.0010  -0.0078 0.0023  657 HOH A O   
3806 O O   . HOH J .   ? 0.2179 0.2017 0.2199 0.0014  0.0135  -0.0095 658 HOH A O   
3807 O O   . HOH J .   ? 0.3725 0.3660 0.3830 0.0108  0.0128  0.0099  659 HOH A O   
3808 O O   . HOH J .   ? 0.3924 0.3789 0.4046 -0.0123 0.0017  0.0205  660 HOH A O   
3809 O O   . HOH J .   ? 0.3858 0.3845 0.3682 0.0251  -0.0108 -0.0081 661 HOH A O   
3810 O O   . HOH J .   ? 0.3586 0.3306 0.3749 -0.0116 -0.0169 -0.0038 662 HOH A O   
3811 O O   . HOH J .   ? 0.4994 0.4888 0.5004 -0.0027 0.0019  -0.0037 663 HOH A O   
3812 O O   . HOH J .   ? 0.2836 0.3080 0.2687 0.0357  0.0002  0.0064  664 HOH A O   
3813 O O   . HOH J .   ? 0.4427 0.4364 0.4626 -0.0171 -0.0041 -0.0470 665 HOH A O   
3814 O O   . HOH J .   ? 0.3537 0.3504 0.3486 -0.0043 0.0031  -0.0230 666 HOH A O   
3815 O O   . HOH J .   ? 0.2926 0.2829 0.2940 -0.0045 0.0012  -0.0423 667 HOH A O   
3816 O O   . HOH J .   ? 0.3997 0.3789 0.4076 0.0011  0.0145  -0.0028 668 HOH A O   
3817 O O   . HOH J .   ? 0.3869 0.4025 0.3962 0.0182  0.0054  0.0091  669 HOH A O   
3818 O O   . HOH J .   ? 0.2684 0.2585 0.2667 -0.0062 0.0039  0.0048  670 HOH A O   
3819 O O   . HOH J .   ? 0.3517 0.3460 0.3541 -0.0084 0.0012  -0.0123 671 HOH A O   
3820 O O   . HOH J .   ? 0.1799 0.1539 0.1791 -0.0071 -0.0038 0.0061  672 HOH A O   
3821 O O   . HOH J .   ? 0.1462 0.1683 0.1610 -0.0068 0.0010  -0.0048 673 HOH A O   
3822 O O   . HOH J .   ? 0.3955 0.4048 0.4126 0.0022  0.0016  0.0056  674 HOH A O   
3823 O O   . HOH J .   ? 0.5440 0.5474 0.5739 -0.0129 -0.0103 0.0033  675 HOH A O   
3824 O O   . HOH J .   ? 0.4345 0.4677 0.4545 0.0096  -0.0178 -0.0074 676 HOH A O   
3825 O O   . HOH J .   ? 0.2085 0.2080 0.2172 0.0004  0.0130  0.0050  677 HOH A O   
3826 O O   . HOH J .   ? 0.5101 0.4764 0.4929 0.0114  -0.0156 -0.0097 678 HOH A O   
3827 O O   . HOH J .   ? 0.6808 0.6829 0.6708 0.0012  0.0080  -0.0112 679 HOH A O   
3828 O O   . HOH J .   ? 0.4956 0.4748 0.5249 -0.0208 -0.0074 0.0158  680 HOH A O   
3829 O O   . HOH J .   ? 0.1730 0.2119 0.1896 -0.0035 0.0004  -0.0016 681 HOH A O   
3830 O O   . HOH J .   ? 0.1854 0.2059 0.2088 0.0190  0.0241  0.0354  682 HOH A O   
3831 O O   . HOH J .   ? 0.4405 0.4810 0.4390 0.0243  0.0057  0.0139  683 HOH A O   
3832 O O   . HOH J .   ? 0.2621 0.2853 0.2534 0.0334  0.0007  0.0069  684 HOH A O   
3833 O O   . HOH J .   ? 0.4117 0.4239 0.4372 -0.0102 0.0049  0.0148  685 HOH A O   
3834 O O   . HOH J .   ? 0.3428 0.2990 0.3308 0.0073  -0.0193 -0.0107 686 HOH A O   
3835 O O   . HOH J .   ? 0.2298 0.2103 0.2282 -0.0069 -0.0006 0.0024  687 HOH A O   
3836 O O   . HOH J .   ? 0.1786 0.2087 0.1985 0.0223  0.0226  0.0356  688 HOH A O   
3837 O O   . HOH J .   ? 0.3725 0.3334 0.3601 0.0033  -0.0109 0.0017  689 HOH A O   
3838 O O   . HOH J .   ? 0.4664 0.4473 0.4978 -0.0199 0.0058  -0.0203 690 HOH A O   
3839 O O   . HOH J .   ? 0.2335 0.2280 0.2455 -0.0110 0.0033  -0.0104 691 HOH A O   
3840 O O   . HOH J .   ? 0.4243 0.4286 0.4253 0.0004  0.0128  0.0036  692 HOH A O   
3841 O O   . HOH J .   ? 0.1247 0.1005 0.1352 -0.0085 0.0088  -0.0135 693 HOH A O   
3842 O O   . HOH J .   ? 0.3929 0.3992 0.4058 -0.0013 0.0118  0.0091  694 HOH A O   
3843 O O   . HOH J .   ? 0.7421 0.7564 0.7375 0.0013  0.0121  0.0103  695 HOH A O   
3844 O O   . HOH J .   ? 0.2140 0.1937 0.2075 -0.0031 -0.0027 -0.0032 696 HOH A O   
3845 O O   . HOH J .   ? 0.4029 0.3953 0.4244 -0.0180 0.0010  -0.0270 697 HOH A O   
3846 O O   . HOH J .   ? 0.4513 0.4768 0.4290 0.0391  -0.0035 0.0021  698 HOH A O   
3847 O O   . HOH J .   ? 0.4119 0.4215 0.4341 -0.0034 -0.0095 -0.0001 699 HOH A O   
3848 O O   . HOH J .   ? 0.4166 0.4267 0.4358 0.0023  -0.0282 -0.0180 700 HOH A O   
3849 O O   . HOH J .   ? 0.5273 0.5685 0.5214 0.0155  0.0217  0.0129  701 HOH A O   
3850 O O   . HOH J .   ? 0.2021 0.1944 0.2310 0.0091  0.0250  0.0276  702 HOH A O   
3851 O O   . HOH J .   ? 0.3045 0.3197 0.3086 0.0225  0.0050  0.0094  703 HOH A O   
3852 O O   . HOH J .   ? 0.2183 0.1970 0.2296 0.0012  0.0134  0.0030  704 HOH A O   
3853 O O   . HOH J .   ? 0.1991 0.2129 0.1882 0.0226  -0.0001 0.0038  705 HOH A O   
3854 O O   . HOH J .   ? 0.4011 0.3964 0.3941 -0.0011 0.0067  -0.0172 706 HOH A O   
3855 O O   . HOH J .   ? 0.2727 0.2505 0.3103 -0.0098 0.0186  0.0090  707 HOH A O   
3856 O O   . HOH J .   ? 0.4919 0.5107 0.4782 0.0326  -0.0013 0.0039  708 HOH A O   
3857 O O   . HOH J .   ? 0.2601 0.2535 0.2813 -0.0144 -0.0010 0.0113  709 HOH A O   
3858 O O   . HOH J .   ? 0.2019 0.2173 0.2127 0.0129  -0.0002 0.0044  710 HOH A O   
3859 O O   . HOH J .   ? 0.6447 0.6941 0.6496 0.0106  0.0230  0.0255  711 HOH A O   
3860 O O   . HOH J .   ? 0.3005 0.2716 0.3117 -0.0060 -0.0216 -0.0109 712 HOH A O   
3861 O O   . HOH J .   ? 0.3084 0.3473 0.3231 0.0165  -0.0229 -0.0132 713 HOH A O   
3862 O O   . HOH J .   ? 0.6048 0.5970 0.5961 -0.0040 0.0014  -0.0062 714 HOH A O   
3863 O O   . HOH J .   ? 0.5392 0.5253 0.5463 0.0048  -0.0301 -0.0224 715 HOH A O   
3864 O O   . HOH J .   ? 0.2735 0.2570 0.2985 0.0042  0.0210  0.0178  716 HOH A O   
3865 O O   . HOH J .   ? 0.6561 0.6137 0.6928 -0.0142 0.0152  -0.0111 717 HOH A O   
3866 O O   . HOH J .   ? 0.4886 0.5181 0.4811 0.0161  0.0206  0.0037  718 HOH A O   
3867 O O   . HOH J .   ? 0.3462 0.3244 0.3715 -0.0174 -0.0015 -0.0488 719 HOH A O   
3868 O O   . HOH J .   ? 0.3052 0.3107 0.3270 -0.0082 0.0023  0.0094  720 HOH A O   
3869 O O   . HOH J .   ? 0.6584 0.6501 0.6734 -0.0129 -0.0050 -0.0550 721 HOH A O   
3870 O O   . HOH J .   ? 0.4161 0.4596 0.4121 0.0211  0.0012  0.0077  722 HOH A O   
3871 O O   . HOH J .   ? 0.3446 0.3314 0.3341 -0.0026 -0.0011 -0.0017 723 HOH A O   
3872 O O   . HOH J .   ? 0.4429 0.4463 0.4750 -0.0160 -0.0062 0.0092  724 HOH A O   
3873 O O   . HOH J .   ? 0.5735 0.5827 0.5826 0.0074  0.0178  0.0072  725 HOH A O   
3874 O O   . HOH J .   ? 0.3414 0.3744 0.3525 0.0261  0.0055  0.0123  726 HOH A O   
3875 O O   . HOH J .   ? 0.5834 0.5538 0.6167 -0.0139 0.0141  -0.0047 727 HOH A O   
3876 O O   . HOH J .   ? 0.4425 0.4377 0.4367 -0.0038 0.0054  0.0012  728 HOH A O   
3877 O O   . HOH J .   ? 0.4412 0.4035 0.4798 -0.0254 -0.0116 0.0224  729 HOH A O   
3878 O O   . HOH J .   ? 0.5023 0.4817 0.5357 -0.0049 0.0200  0.0131  730 HOH A O   
3879 O O   . HOH J .   ? 0.5062 0.4553 0.5065 -0.0037 -0.0169 -0.0008 731 HOH A O   
3880 O O   . HOH J .   ? 0.3882 0.4385 0.4120 0.0138  -0.0156 -0.0035 732 HOH A O   
3881 O O   . HOH J .   ? 0.4233 0.4543 0.4234 0.0057  0.0178  0.0177  733 HOH A O   
3882 O O   . HOH J .   ? 0.5421 0.5626 0.5240 0.0240  -0.0048 -0.0003 734 HOH A O   
3883 O O   . HOH J .   ? 0.3162 0.2949 0.3151 -0.0069 -0.0013 0.0100  735 HOH A O   
3884 O O   . HOH J .   ? 0.5094 0.5573 0.5080 0.0066  -0.0052 -0.0058 736 HOH A O   
3885 O O   . HOH J .   ? 0.3599 0.3586 0.3841 -0.0126 0.0069  -0.0035 737 HOH A O   
3886 O O   . HOH J .   ? 0.5400 0.5376 0.5315 -0.0031 0.0039  -0.0133 738 HOH A O   
3887 O O   . HOH J .   ? 0.4865 0.4662 0.4968 0.0027  0.0150  0.0015  739 HOH A O   
3888 O O   . HOH J .   ? 0.3173 0.3211 0.3409 -0.0077 -0.0086 0.0015  740 HOH A O   
3889 O O   . HOH J .   ? 0.5526 0.5755 0.5764 0.0019  -0.0054 0.0035  741 HOH A O   
3890 O O   . HOH J .   ? 0.4705 0.4616 0.4625 -0.0041 -0.0001 -0.0072 742 HOH A O   
3891 O O   . HOH J .   ? 0.4768 0.4491 0.5085 -0.0082 0.0177  0.0049  743 HOH A O   
3892 O O   . HOH J .   ? 0.4501 0.4465 0.4604 -0.0132 0.0005  -0.0238 744 HOH A O   
3893 O O   . HOH J .   ? 0.4161 0.3793 0.4398 -0.0100 0.0133  -0.0130 745 HOH A O   
3894 O O   . HOH J .   ? 0.4971 0.4924 0.5075 -0.0104 0.0048  0.0166  746 HOH A O   
3895 O O   . HOH J .   ? 0.3669 0.3747 0.3776 0.0150  0.0090  0.0103  747 HOH A O   
3896 O O   . HOH J .   ? 0.5642 0.5357 0.5836 -0.0108 -0.0240 -0.0102 748 HOH A O   
3897 O O   . HOH J .   ? 0.4885 0.5430 0.4872 0.0423  -0.0038 0.0062  749 HOH A O   
3898 O O   . HOH J .   ? 0.2812 0.2705 0.2773 -0.0007 0.0079  -0.0224 750 HOH A O   
3899 O O   . HOH J .   ? 0.5131 0.5103 0.5057 -0.0025 0.0046  -0.0185 751 HOH A O   
3900 O O   . HOH J .   ? 0.3129 0.2658 0.3075 0.0020  -0.0205 -0.0097 752 HOH A O   
3901 O O   . HOH J .   ? 0.6005 0.5588 0.5817 0.0127  -0.0179 -0.0096 753 HOH A O   
3902 O O   . HOH J .   ? 0.5053 0.5069 0.4963 0.0030  0.0101  -0.0115 754 HOH A O   
3903 O O   . HOH J .   ? 0.5272 0.5076 0.5162 -0.0007 -0.0023 0.0077  755 HOH A O   
3904 O O   . HOH J .   ? 0.5111 0.5038 0.5330 -0.0169 0.0032  -0.0179 756 HOH A O   
3905 O O   . HOH J .   ? 0.4513 0.4606 0.4715 -0.0048 0.0065  0.0106  757 HOH A O   
3906 O O   . HOH J .   ? 0.4463 0.4450 0.4455 -0.0044 0.0077  0.0066  758 HOH A O   
3907 O O   . HOH J .   ? 0.4202 0.4560 0.4109 0.0396  -0.0034 0.0041  759 HOH A O   
3908 O O   . HOH J .   ? 0.4772 0.4461 0.5061 -0.0106 0.0151  -0.0029 760 HOH A O   
3909 O O   . HOH J .   ? 0.5574 0.5452 0.5892 -0.0205 0.0048  -0.0185 761 HOH A O   
3910 O O   . HOH J .   ? 0.3246 0.3172 0.3257 -0.0065 0.0055  0.0060  762 HOH A O   
3911 O O   . HOH J .   ? 0.4878 0.5128 0.5270 -0.0098 -0.0208 -0.0044 763 HOH A O   
3912 O O   . HOH J .   ? 0.5313 0.5250 0.5206 -0.0023 0.0019  0.0004  764 HOH A O   
3913 O O   . HOH J .   ? 0.4852 0.4655 0.5112 -0.0143 -0.0216 -0.0063 765 HOH A O   
3914 O O   . HOH J .   ? 0.4169 0.3642 0.4124 0.0011  -0.0205 -0.0071 766 HOH A O   
3915 O O   . HOH J .   ? 0.4241 0.4063 0.4122 -0.0008 -0.0027 0.0030  767 HOH A O   
3916 O O   . HOH J .   ? 0.3804 0.4835 0.3604 0.0703  -0.0352 -0.0272 768 HOH A O   
3917 O O   . HOH J .   ? 0.6021 0.6063 0.5862 0.0218  -0.0046 -0.0018 769 HOH A O   
3918 O O   . HOH J .   ? 0.3701 0.3486 0.3714 -0.0083 -0.0017 0.0060  770 HOH A O   
3919 O O   . HOH J .   ? 0.4638 0.4742 0.4824 0.0004  -0.0041 0.0024  771 HOH A O   
3920 O O   . HOH J .   ? 0.4563 0.4421 0.4677 0.0067  0.0144  0.0073  772 HOH A O   
3921 O O   . HOH J .   ? 0.3975 0.3945 0.3981 -0.0053 0.0002  -0.0082 773 HOH A O   
3922 O O   . HOH J .   ? 0.5605 0.5437 0.5511 -0.0016 -0.0030 -0.0038 774 HOH A O   
3923 O O   . HOH J .   ? 0.5199 0.4963 0.5530 -0.0164 0.0113  -0.0078 775 HOH A O   
3924 O O   . HOH J .   ? 0.4806 0.4545 0.5034 -0.0054 0.0156  0.0029  776 HOH A O   
3925 O O   . HOH J .   ? 0.6351 0.6643 0.6313 0.0348  0.0029  0.0104  777 HOH A O   
3926 O O   . HOH J .   ? 0.4776 0.4349 0.4904 -0.0088 -0.0242 -0.0098 778 HOH A O   
3927 O O   . HOH J .   ? 0.4879 0.4890 0.4991 0.0156  0.0136  0.0126  779 HOH A O   
3928 O O   . HOH J .   ? 0.5912 0.5871 0.5811 -0.0029 0.0027  -0.0050 780 HOH A O   
3929 O O   . HOH J .   ? 0.5128 0.5037 0.5387 -0.0202 -0.0003 -0.0334 781 HOH A O   
3930 O O   . HOH J .   ? 0.5348 0.5063 0.5483 -0.0013 0.0151  -0.0019 782 HOH A O   
3931 O O   . HOH J .   ? 0.3393 0.3149 0.3514 0.0016  0.0154  0.0015  783 HOH A O   
3932 O O   . HOH J .   ? 0.3920 0.4142 0.3761 0.0308  -0.0009 0.0044  784 HOH A O   
3933 O O   . HOH J .   ? 0.5080 0.4867 0.5381 -0.0205 0.0020  -0.0346 785 HOH A O   
3934 O O   . HOH J .   ? 0.5089 0.5562 0.4939 0.0282  -0.0034 0.0035  786 HOH A O   
3935 O O   . HOH J .   ? 0.4875 0.4880 0.4949 -0.0119 -0.0017 -0.0338 787 HOH A O   
3936 O O   . HOH J .   ? 0.5097 0.4934 0.5338 0.0083  0.0230  0.0208  788 HOH A O   
3937 O O   . HOH J .   ? 0.4646 0.4154 0.4843 -0.0141 -0.0233 -0.0036 789 HOH A O   
3938 O O   . HOH J .   ? 0.5012 0.4836 0.5323 -0.0187 -0.0172 0.0009  790 HOH A O   
3939 O O   . HOH J .   ? 0.6292 0.5824 0.6355 -0.0015 -0.0308 -0.0192 791 HOH A O   
3940 O O   . HOH J .   ? 0.5347 0.5470 0.5462 0.0101  -0.0319 -0.0239 792 HOH A O   
3941 O O   . HOH K .   ? 0.2499 0.2723 0.2573 0.0101  0.0066  0.0071  501 HOH C O   
3942 O O   . HOH K .   ? 0.4313 0.4373 0.4381 -0.0223 0.0127  0.0147  502 HOH C O   
3943 O O   . HOH K .   ? 0.2429 0.2533 0.2624 0.0064  0.0181  0.0220  503 HOH C O   
3944 O O   . HOH K .   ? 0.4714 0.4638 0.4869 -0.0020 0.0288  0.0010  504 HOH C O   
3945 O O   . HOH K .   ? 0.8112 0.8221 0.7757 -0.0427 0.0372  -0.0049 505 HOH C O   
3946 O O   . HOH K .   ? 0.4605 0.5645 0.4684 0.0191  -0.0023 -0.0368 506 HOH C O   
3947 O O   . HOH K .   ? 0.4945 0.4992 0.5046 -0.0038 0.0044  0.0160  507 HOH C O   
3948 O O   . HOH K .   ? 0.5521 0.5622 0.5438 -0.0330 0.0367  0.0058  508 HOH C O   
3949 O O   . HOH K .   ? 0.3020 0.3048 0.3096 -0.0146 -0.0043 0.0183  509 HOH C O   
3950 O O   . HOH K .   ? 0.5826 0.5838 0.6151 -0.0025 0.0208  0.0011  510 HOH C O   
3951 O O   . HOH K .   ? 0.6379 0.6621 0.5886 -0.0543 0.0456  -0.0065 511 HOH C O   
3952 O O   . HOH K .   ? 0.3910 0.4214 0.4268 0.0161  0.0143  0.0163  512 HOH C O   
3953 O O   . HOH K .   ? 0.3086 0.3088 0.2843 -0.0309 0.0267  -0.0029 513 HOH C O   
3954 O O   . HOH K .   ? 0.3198 0.3203 0.3550 -0.0080 0.0261  0.0032  514 HOH C O   
3955 O O   . HOH K .   ? 0.2085 0.2429 0.2392 0.0154  0.0075  0.0078  515 HOH C O   
3956 O O   . HOH K .   ? 0.3400 0.4301 0.3500 0.0192  -0.0060 -0.0161 516 HOH C O   
3957 O O   . HOH K .   ? 0.4874 0.4842 0.5060 0.0016  0.0254  0.0090  517 HOH C O   
3958 O O   . HOH K .   ? 0.3047 0.3504 0.3117 0.0179  0.0109  0.0163  518 HOH C O   
3959 O O   . HOH K .   ? 0.1616 0.1698 0.1828 0.0082  0.0219  0.0169  519 HOH C O   
3960 O O   . HOH K .   ? 0.3084 0.3300 0.3445 0.0145  0.0194  0.0170  520 HOH C O   
3961 O O   . HOH K .   ? 0.5608 0.5659 0.5748 -0.0036 0.0059  0.0184  521 HOH C O   
3962 O O   . HOH K .   ? 0.2591 0.2818 0.2686 0.0099  0.0081  0.0118  522 HOH C O   
3963 O O   . HOH K .   ? 0.3208 0.3322 0.3621 0.0122  0.0276  0.0206  523 HOH C O   
3964 O O   . HOH K .   ? 0.1283 0.1538 0.1451 0.0141  0.0138  0.0146  524 HOH C O   
3965 O O   . HOH K .   ? 0.2701 0.3423 0.2853 0.0232  0.0107  0.0328  525 HOH C O   
3966 O O   . HOH K .   ? 0.1049 0.1579 0.1209 0.0205  0.0123  0.0267  526 HOH C O   
3967 O O   . HOH K .   ? 0.1440 0.1693 0.1948 0.0071  0.0021  0.0151  527 HOH C O   
3968 O O   . HOH K .   ? 0.1897 0.2634 0.2030 0.0210  0.0013  0.0118  528 HOH C O   
3969 O O   . HOH K .   ? 0.3314 0.3383 0.3361 -0.0261 -0.0130 0.0252  529 HOH C O   
3970 O O   . HOH K .   ? 0.4026 0.4032 0.4462 -0.0011 0.0280  0.0011  530 HOH C O   
3971 O O   . HOH K .   ? 0.1406 0.1601 0.1846 0.0077  0.0014  -0.0067 531 HOH C O   
3972 O O   . HOH K .   ? 0.1130 0.1252 0.1231 -0.0283 -0.0161 0.0323  532 HOH C O   
3973 O O   . HOH K .   ? 0.4152 0.4180 0.4330 -0.0126 0.0065  0.0098  533 HOH C O   
3974 O O   . HOH K .   ? 0.1142 0.1299 0.1840 -0.0206 -0.0226 0.0426  534 HOH C O   
3975 O O   . HOH K .   ? 0.3608 0.3593 0.4063 0.0005  0.0333  0.0005  535 HOH C O   
3976 O O   . HOH K .   ? 0.2427 0.2423 0.2435 -0.0168 0.0161  0.0054  536 HOH C O   
3977 O O   . HOH K .   ? 0.6051 0.5975 0.6273 -0.0191 0.0565  -0.0132 537 HOH C O   
3978 O O   . HOH K .   ? 0.3201 0.3226 0.3458 -0.0109 0.0129  0.0076  538 HOH C O   
3979 O O   . HOH K .   ? 0.2367 0.2634 0.3004 0.0094  -0.0059 -0.0224 539 HOH C O   
3980 O O   . HOH K .   ? 0.3141 0.3685 0.3220 0.0192  0.0069  0.0120  540 HOH C O   
3981 O O   . HOH K .   ? 0.3622 0.3601 0.3619 -0.0231 0.0387  -0.0043 541 HOH C O   
3982 O O   . HOH K .   ? 0.1353 0.1363 0.1566 -0.0034 -0.0063 0.0114  542 HOH C O   
3983 O O   . HOH K .   ? 0.3130 0.3949 0.3177 0.0218  0.0025  0.0102  543 HOH C O   
3984 O O   . HOH K .   ? 0.2956 0.2971 0.3302 0.0062  0.0285  0.0062  544 HOH C O   
3985 O O   . HOH K .   ? 0.4328 0.4468 0.4737 0.0108  0.0199  0.0083  545 HOH C O   
3986 O O   . HOH K .   ? 0.2626 0.2670 0.2896 -0.0109 0.0006  0.0113  546 HOH C O   
3987 O O   . HOH K .   ? 0.3488 0.3543 0.3352 -0.0274 0.0044  0.0146  547 HOH C O   
3988 O O   . HOH K .   ? 0.3616 0.3515 0.3829 -0.0074 0.0388  -0.0061 548 HOH C O   
3989 O O   . HOH K .   ? 0.3124 0.3109 0.3377 0.0043  0.0279  0.0071  549 HOH C O   
3990 O O   . HOH K .   ? 0.1213 0.1736 0.1470 0.0212  0.0148  0.0338  550 HOH C O   
3991 O O   . HOH K .   ? 0.5577 0.6236 0.6146 0.0185  0.0083  -0.0449 551 HOH C O   
3992 O O   . HOH K .   ? 0.4500 0.5377 0.4752 0.0248  0.0065  0.0401  552 HOH C O   
3993 O O   . HOH K .   ? 0.2028 0.2520 0.2452 0.0148  -0.0025 -0.0340 553 HOH C O   
3994 O O   . HOH K .   ? 0.1419 0.1564 0.1910 -0.0224 -0.0207 0.0395  554 HOH C O   
3995 O O   . HOH K .   ? 0.2289 0.2560 0.2741 0.0081  0.0048  0.0180  555 HOH C O   
3996 O O   . HOH K .   ? 0.2226 0.2405 0.2668 0.0059  -0.0052 -0.0118 556 HOH C O   
3997 O O   . HOH K .   ? 0.3989 0.4468 0.4477 0.0215  0.0164  0.0360  557 HOH C O   
3998 O O   . HOH K .   ? 0.2933 0.3027 0.3361 0.0003  -0.0021 -0.0022 558 HOH C O   
3999 O O   . HOH K .   ? 0.1253 0.1415 0.1644 -0.0261 -0.0221 0.0421  559 HOH C O   
4000 O O   . HOH K .   ? 0.5553 0.5558 0.5607 -0.0094 0.0037  0.0145  560 HOH C O   
4001 O O   . HOH K .   ? 0.2769 0.2873 0.3098 0.0081  0.0177  0.0042  561 HOH C O   
4002 O O   . HOH K .   ? 0.4612 0.5150 0.5177 0.0172  0.0066  -0.0321 562 HOH C O   
4003 O O   . HOH K .   ? 0.4271 0.4380 0.4619 0.0052  0.0095  -0.0011 563 HOH C O   
4004 O O   . HOH K .   ? 0.3340 0.3330 0.3207 -0.0253 0.0004  0.0105  564 HOH C O   
4005 O O   . HOH K .   ? 0.6381 0.7125 0.6501 0.0237  0.0139  0.0357  565 HOH C O   
4006 O O   . HOH K .   ? 0.2660 0.2710 0.2971 0.0045  0.0197  0.0019  566 HOH C O   
4007 O O   . HOH K .   ? 0.1604 0.1705 0.2347 -0.0098 -0.0157 0.0215  567 HOH C O   
4008 O O   . HOH K .   ? 0.4660 0.4724 0.4816 -0.0199 -0.0118 0.0256  568 HOH C O   
4009 O O   . HOH K .   ? 0.4295 0.4676 0.4826 0.0116  -0.0076 -0.0311 569 HOH C O   
4010 O O   . HOH K .   ? 0.4156 0.4175 0.4156 -0.0185 0.0091  0.0100  570 HOH C O   
4011 O O   . HOH K .   ? 0.1911 0.1929 0.2152 -0.0043 0.0130  0.0021  571 HOH C O   
4012 O O   . HOH K .   ? 0.2316 0.2463 0.2385 0.0017  0.0132  0.0071  572 HOH C O   
4013 O O   . HOH K .   ? 0.4366 0.4467 0.4684 0.0105  0.0240  0.0139  573 HOH C O   
4014 O O   . HOH K .   ? 0.4127 0.4483 0.4495 0.0147  0.0043  0.0029  574 HOH C O   
4015 O O   . HOH K .   ? 0.4393 0.5157 0.4402 0.0212  0.0065  0.0000  575 HOH C O   
4016 O O   . HOH K .   ? 0.3513 0.3900 0.3845 0.0141  0.0032  -0.0115 576 HOH C O   
4017 O O   . HOH K .   ? 0.5299 0.6276 0.5290 0.0217  0.0002  -0.0011 577 HOH C O   
4018 O O   . HOH K .   ? 0.1901 0.1999 0.2595 -0.0040 -0.0122 0.0085  578 HOH C O   
4019 O O   . HOH K .   ? 0.3111 0.3138 0.2971 -0.0304 -0.0048 0.0147  579 HOH C O   
4020 O O   . HOH K .   ? 0.4544 0.4602 0.4314 -0.0321 0.0021  0.0133  580 HOH C O   
4021 O O   . HOH K .   ? 0.3098 0.3447 0.3163 0.0149  0.0087  0.0097  581 HOH C O   
4022 O O   . HOH K .   ? 0.7960 0.8116 0.7739 -0.0385 0.0214  0.0147  582 HOH C O   
4023 O O   . HOH K .   ? 0.2080 0.2100 0.2088 -0.0169 -0.0042 0.0162  583 HOH C O   
4024 O O   . HOH K .   ? 0.4292 0.4672 0.4743 0.0131  0.0111  0.0185  584 HOH C O   
4025 O O   . HOH K .   ? 0.4288 0.4748 0.5037 0.0234  0.0250  0.0520  585 HOH C O   
4026 O O   . HOH K .   ? 0.2934 0.2877 0.3070 -0.0151 0.0388  -0.0049 586 HOH C O   
4027 O O   . HOH K .   ? 0.3957 0.3924 0.4184 -0.0152 0.0414  -0.0027 587 HOH C O   
4028 O O   . HOH K .   ? 0.4894 0.4845 0.4747 -0.0196 0.0096  0.0038  588 HOH C O   
4029 O O   . HOH K .   ? 0.4434 0.5053 0.4508 0.0190  0.0056  -0.0071 589 HOH C O   
4030 O O   . HOH K .   ? 0.4437 0.4395 0.4692 -0.0073 0.0323  -0.0015 590 HOH C O   
4031 O O   . HOH K .   ? 0.4432 0.4409 0.4757 -0.0095 0.0349  0.0001  591 HOH C O   
4032 O O   . HOH K .   ? 0.3475 0.3826 0.3845 0.0181  0.0163  0.0241  592 HOH C O   
4033 O O   . HOH K .   ? 0.3767 0.4254 0.4077 0.0188  0.0065  0.0156  593 HOH C O   
4034 O O   . HOH K .   ? 0.4489 0.5148 0.4944 0.0145  -0.0101 -0.0445 594 HOH C O   
4035 O O   . HOH K .   ? 0.3252 0.3174 0.3554 -0.0004 0.0358  -0.0005 595 HOH C O   
4036 O O   . HOH K .   ? 0.3966 0.4690 0.4117 0.0218  0.0043  0.0201  596 HOH C O   
4037 O O   . HOH K .   ? 0.2947 0.3354 0.3152 0.0182  0.0178  0.0324  597 HOH C O   
4038 O O   . HOH K .   ? 0.6460 0.6401 0.6551 -0.0235 0.0540  -0.0138 598 HOH C O   
4039 O O   . HOH K .   ? 0.4368 0.5289 0.4616 0.0181  -0.0122 -0.0143 599 HOH C O   
4040 O O   . HOH K .   ? 0.2142 0.2181 0.2518 -0.0097 0.0131  0.0085  600 HOH C O   
4041 O O   . HOH K .   ? 0.3788 0.4459 0.3821 0.0213  0.0099  0.0157  601 HOH C O   
4042 O O   . HOH K .   ? 0.2449 0.2709 0.2903 0.0148  0.0153  0.0129  602 HOH C O   
4043 O O   . HOH K .   ? 0.7443 0.7539 0.7433 -0.0289 0.0236  0.0137  603 HOH C O   
4044 O O   . HOH K .   ? 0.5257 0.5460 0.5660 0.0146  0.0258  0.0319  604 HOH C O   
4045 O O   . HOH K .   ? 0.6659 0.7589 0.6798 0.0201  0.0049  -0.0371 605 HOH C O   
4046 O O   . HOH K .   ? 0.3393 0.4131 0.3801 0.0158  -0.0061 -0.0506 606 HOH C O   
4047 O O   . HOH K .   ? 0.6574 0.6630 0.6960 0.0032  0.0183  0.0010  607 HOH C O   
4048 O O   . HOH K .   ? 0.3929 0.4806 0.4205 0.0188  -0.0104 -0.0047 608 HOH C O   
4049 O O   . HOH K .   ? 0.5167 0.6299 0.5213 0.0258  0.0065  0.0369  609 HOH C O   
4050 O O   . HOH K .   ? 0.5571 0.5645 0.5401 -0.0308 0.0130  0.0124  610 HOH C O   
4051 O O   . HOH K .   ? 0.4497 0.4716 0.3929 -0.0548 0.0213  0.0017  611 HOH C O   
4052 O O   . HOH K .   ? 0.6118 0.6297 0.5790 -0.0429 0.0127  0.0167  612 HOH C O   
4053 O O   . HOH K .   ? 0.4622 0.5284 0.4758 0.0195  0.0074  -0.0142 613 HOH C O   
4054 O O   . HOH K .   ? 0.2896 0.3458 0.3011 0.0202  0.0088  0.0192  614 HOH C O   
4055 O O   . HOH K .   ? 0.3885 0.3981 0.4329 -0.0006 -0.0068 0.0006  615 HOH C O   
4056 O O   . HOH K .   ? 0.6269 0.6203 0.6407 -0.0014 0.0262  0.0038  616 HOH C O   
4057 O O   . HOH K .   ? 0.6490 0.6496 0.7015 0.0087  0.0355  0.0192  617 HOH C O   
4058 O O   . HOH K .   ? 0.4520 0.5653 0.4661 0.0199  -0.0119 -0.0036 618 HOH C O   
4059 O O   . HOH K .   ? 0.4438 0.4479 0.4827 0.0085  0.0289  0.0103  619 HOH C O   
4060 O O   . HOH K .   ? 0.5882 0.5798 0.5928 -0.0214 0.0476  -0.0132 620 HOH C O   
4061 O O   . HOH K .   ? 0.2976 0.3798 0.3050 0.0211  -0.0003 0.0053  621 HOH C O   
4062 O O   . HOH K .   ? 0.5508 0.5600 0.5842 -0.0115 -0.0085 0.0280  622 HOH C O   
4063 O O   . HOH K .   ? 0.4659 0.4655 0.5161 0.0037  0.0339  0.0024  623 HOH C O   
4064 O O   . HOH K .   ? 0.5364 0.5331 0.5157 -0.0256 0.0085  0.0037  624 HOH C O   
4065 O O   . HOH K .   ? 0.3902 0.4304 0.3967 0.0161  0.0092  0.0106  625 HOH C O   
4066 O O   . HOH K .   ? 0.5492 0.6002 0.5552 0.0180  0.0081  0.0052  626 HOH C O   
4067 O O   . HOH K .   ? 0.5659 0.6348 0.5767 0.0215  0.0059  0.0187  627 HOH C O   
4068 O O   . HOH K .   ? 0.5361 0.6328 0.5364 0.0236  0.0051  0.0183  628 HOH C O   
4069 O O   . HOH K .   ? 0.4130 0.4193 0.4435 0.0036  0.0151  0.0005  629 HOH C O   
4070 O O   . HOH K .   ? 0.5700 0.6546 0.6036 0.0167  -0.0044 -0.0530 630 HOH C O   
4071 O O   . HOH K .   ? 0.4995 0.4989 0.4976 -0.0148 0.0008  0.0127  631 HOH C O   
4072 O O   . HOH K .   ? 0.5667 0.6301 0.5744 0.0215  0.0126  0.0251  632 HOH C O   
4073 O O   . HOH K .   ? 0.5827 0.6834 0.5877 0.0215  -0.0037 0.0028  633 HOH C O   
4074 O O   . HOH K .   ? 0.4632 0.5186 0.4803 0.0211  0.0166  0.0350  634 HOH C O   
4075 O O   . HOH K .   ? 0.5551 0.5629 0.5740 -0.0211 0.0111  0.0183  635 HOH C O   
4076 O O   . HOH K .   ? 0.6222 0.6159 0.6577 -0.0062 0.0407  -0.0036 636 HOH C O   
4077 O O   . HOH K .   ? 0.5149 0.5283 0.5580 0.0130  0.0267  0.0201  637 HOH C O   
4078 O O   . HOH K .   ? 0.5247 0.5788 0.5679 0.0175  0.0074  -0.0238 638 HOH C O   
4079 O O   . HOH K .   ? 0.4857 0.5975 0.5031 0.0167  -0.0123 -0.0424 639 HOH C O   
4080 O O   . HOH K .   ? 0.4505 0.4740 0.4992 0.0081  -0.0062 -0.0179 640 HOH C O   
4081 O O   . HOH K .   ? 0.4891 0.5344 0.5103 0.0160  0.0056  -0.0080 641 HOH C O   
4082 O O   . HOH K .   ? 0.4417 0.4486 0.4517 0.0004  0.0085  0.0159  642 HOH C O   
4083 O O   . HOH K .   ? 0.4857 0.4904 0.4930 -0.0028 0.0050  0.0139  643 HOH C O   
4084 O O   . HOH K .   ? 0.5125 0.5188 0.5559 -0.0055 -0.0023 0.0062  644 HOH C O   
4085 O O   . HOH K .   ? 0.5130 0.5269 0.5596 0.0131  0.0261  0.0173  645 HOH C O   
4086 O O   . HOH K .   ? 0.5514 0.5480 0.5435 -0.0204 0.0035  0.0093  646 HOH C O   
4087 O O   . HOH K .   ? 0.4344 0.5124 0.4837 0.0142  -0.0128 -0.0535 647 HOH C O   
4088 O O   . HOH K .   ? 0.4178 0.4271 0.4755 0.0129  0.0334  0.0262  648 HOH C O   
4089 O O   . HOH K .   ? 0.3766 0.3672 0.4162 -0.0043 0.0450  -0.0053 649 HOH C O   
4090 O O   . HOH L .   ? 0.3904 0.5096 0.3893 0.0016  -0.0074 -0.0076 501 HOH B O   
4091 O O   . HOH L .   ? 0.5784 0.5456 0.5268 -0.0043 -0.0135 -0.0053 502 HOH B O   
4092 O O   . HOH L .   ? 0.4548 0.4906 0.5434 0.0147  0.0297  0.0855  503 HOH B O   
4093 O O   . HOH L .   ? 0.4695 0.4629 0.5467 0.0080  0.0393  0.0494  504 HOH B O   
4094 O O   . HOH L .   ? 0.4231 0.4250 0.4803 0.0120  0.0286  0.0408  505 HOH B O   
4095 O O   . HOH L .   ? 0.5265 0.6216 0.5076 -0.0122 0.0050  -0.0451 506 HOH B O   
4096 O O   . HOH L .   ? 0.3979 0.4183 0.3550 0.0104  -0.0116 -0.0144 507 HOH B O   
4097 O O   . HOH L .   ? 0.5395 0.5265 0.6000 -0.0022 0.0398  0.0250  508 HOH B O   
4098 O O   . HOH L .   ? 0.5749 0.6201 0.6402 -0.0100 0.0279  0.0638  509 HOH B O   
4099 O O   . HOH L .   ? 0.3680 0.3842 0.4245 0.0132  0.0247  0.0486  510 HOH B O   
4100 O O   . HOH L .   ? 0.4531 0.4755 0.4244 0.0173  -0.0139 -0.0211 511 HOH B O   
4101 O O   . HOH L .   ? 0.2825 0.3480 0.3442 -0.0014 0.0182  0.0737  512 HOH B O   
4102 O O   . HOH L .   ? 0.3441 0.3493 0.2919 0.0121  -0.0162 -0.0063 513 HOH B O   
4103 O O   . HOH L .   ? 0.4246 0.5050 0.4934 0.0012  0.0164  0.0891  514 HOH B O   
4105 O O   . HOH L .   ? 0.3790 0.4459 0.3939 -0.0022 0.0069  0.0016  516 HOH B O   
4106 O O   . HOH L .   ? 0.2647 0.3204 0.2510 -0.0108 0.0103  -0.0378 517 HOH B O   
4107 O O   . HOH L .   ? 0.4197 0.4262 0.4108 -0.0123 0.0203  -0.0290 518 HOH B O   
4108 O O   . HOH L .   ? 0.5337 0.4627 0.4689 -0.0003 -0.0166 0.0031  519 HOH B O   
4109 O O   . HOH L .   ? 0.4179 0.3702 0.3686 0.0058  -0.0121 0.0043  520 HOH B O   
4110 O O   . HOH L .   ? 0.2826 0.3272 0.3079 -0.0058 0.0155  0.0094  521 HOH B O   
4111 O O   . HOH L .   ? 0.2137 0.2820 0.2206 0.0043  0.0012  -0.0051 522 HOH B O   
4112 O O   . HOH L .   ? 0.3343 0.3529 0.3242 -0.0069 0.0136  -0.0275 523 HOH B O   
4113 O O   . HOH L .   ? 0.2052 0.1935 0.1808 0.0016  0.0037  -0.0107 524 HOH B O   
4114 O O   . HOH L .   ? 0.2196 0.2506 0.2045 0.0220  -0.0095 -0.0163 525 HOH B O   
4115 O O   . HOH L .   ? 0.3067 0.2645 0.2506 -0.0105 -0.0128 0.0012  526 HOH B O   
4116 O O   . HOH L .   ? 0.3008 0.3558 0.2791 -0.0099 0.0071  -0.0370 527 HOH B O   
4117 O O   . HOH L .   ? 0.2519 0.2881 0.2609 -0.0074 0.0160  -0.0190 528 HOH B O   
4118 O O   . HOH L .   ? 0.3783 0.4451 0.3337 -0.0470 -0.0090 0.0114  529 HOH B O   
4119 O O   . HOH L .   ? 0.5605 0.5806 0.5250 0.0024  -0.0034 -0.0197 530 HOH B O   
4120 O O   . HOH L .   ? 0.5256 0.6079 0.5336 -0.0058 -0.0043 0.0368  531 HOH B O   
4121 O O   . HOH L .   ? 0.1467 0.1070 0.1423 0.0000  -0.0162 -0.0070 532 HOH B O   
4122 O O   . HOH L .   ? 0.2734 0.2542 0.3059 -0.0023 0.0336  -0.0024 533 HOH B O   
4123 O O   . HOH L .   ? 0.2241 0.2309 0.2279 -0.0225 0.0336  -0.0391 534 HOH B O   
4124 O O   . HOH L .   ? 0.2538 0.3368 0.2869 -0.0057 0.0078  0.0424  535 HOH B O   
4125 O O   . HOH L .   ? 0.0998 0.0832 0.0893 -0.0097 0.0156  0.0086  536 HOH B O   
4126 O O   . HOH L .   ? 0.3222 0.3925 0.2892 -0.0410 -0.0075 0.0244  537 HOH B O   
4127 O O   . HOH L .   ? 0.3308 0.4058 0.3482 -0.0002 0.0001  0.0320  538 HOH B O   
4128 O O   . HOH L .   ? 0.1181 0.0760 0.0728 -0.0072 -0.0051 0.0102  539 HOH B O   
4129 O O   . HOH L .   ? 0.3393 0.2779 0.2748 -0.0129 -0.0134 0.0066  540 HOH B O   
4130 O O   . HOH L .   ? 0.2120 0.2504 0.1934 0.0163  -0.0117 -0.0139 541 HOH B O   
4131 O O   . HOH L .   ? 0.1824 0.2397 0.1795 0.0132  -0.0046 -0.0113 542 HOH B O   
4132 O O   . HOH L .   ? 0.2123 0.2722 0.2117 0.0072  0.0008  -0.0188 543 HOH B O   
4133 O O   . HOH L .   ? 0.4327 0.3975 0.3910 0.0175  -0.0149 -0.0034 544 HOH B O   
4134 O O   . HOH L .   ? 0.3161 0.4112 0.3494 -0.0049 0.0043  0.0522  545 HOH B O   
4135 O O   . HOH L .   ? 0.1792 0.2160 0.1732 0.0007  -0.0051 0.0188  546 HOH B O   
4136 O O   . HOH L .   ? 0.6403 0.6972 0.6506 -0.0056 0.0113  -0.0150 547 HOH B O   
4137 O O   . HOH L .   ? 0.3969 0.4994 0.4454 0.0011  0.0049  0.0792  548 HOH B O   
4138 O O   . HOH L .   ? 0.4873 0.5554 0.4701 0.0140  -0.0119 -0.0218 549 HOH B O   
4139 O O   . HOH L .   ? 0.2525 0.2999 0.2354 0.0268  -0.0136 -0.0239 550 HOH B O   
4140 O O   . HOH L .   ? 0.3809 0.4058 0.4488 0.0155  0.0259  0.0606  551 HOH B O   
4141 O O   . HOH L .   ? 0.1982 0.2577 0.1989 0.0001  -0.0049 0.0213  552 HOH B O   
4142 O O   . HOH L .   ? 0.3226 0.3274 0.3288 -0.0159 0.0290  -0.0308 553 HOH B O   
4143 O O   . HOH L .   ? 0.5793 0.6032 0.6433 0.0153  0.0272  0.0539  554 HOH B O   
4144 O O   . HOH L .   ? 0.2928 0.3555 0.2821 0.0056  0.0000  -0.0297 555 HOH B O   
4145 O O   . HOH L .   ? 0.3322 0.4335 0.3638 -0.0106 0.0068  0.0417  556 HOH B O   
4146 O O   . HOH L .   ? 0.2939 0.2858 0.2973 -0.0070 0.0234  -0.0191 557 HOH B O   
4147 O O   . HOH L .   ? 0.1376 0.1077 0.1031 -0.0120 0.0027  0.0114  558 HOH B O   
4148 O O   . HOH L .   ? 0.2061 0.2119 0.1939 -0.0007 0.0096  -0.0194 559 HOH B O   
4149 O O   . HOH L .   ? 0.2812 0.2668 0.2883 -0.0044 0.0239  -0.0133 560 HOH B O   
4150 O O   . HOH L .   ? 0.3982 0.3752 0.3318 -0.0350 -0.0110 -0.0034 561 HOH B O   
4151 O O   . HOH L .   ? 0.1291 0.1829 0.1308 0.0078  -0.0032 0.0045  562 HOH B O   
4152 O O   . HOH L .   ? 0.3070 0.3349 0.3129 -0.0318 0.0357  -0.0473 563 HOH B O   
4153 O O   . HOH L .   ? 0.3510 0.3409 0.3986 0.0070  0.0301  0.0244  564 HOH B O   
4154 O O   . HOH L .   ? 0.6142 0.6851 0.5696 -0.0146 -0.0011 -0.0327 565 HOH B O   
4156 O O   . HOH L .   ? 0.1637 0.1408 0.1426 -0.0093 0.0091  0.0094  567 HOH B O   
4157 O O   . HOH L .   ? 0.4464 0.4765 0.5268 0.0157  0.0283  0.0742  568 HOH B O   
4158 O O   . HOH L .   ? 0.1751 0.1668 0.1888 0.0058  0.0137  0.0158  569 HOH B O   
4159 O O   . HOH L .   ? 0.1892 0.1479 0.1407 -0.0028 -0.0118 0.0048  570 HOH B O   
4160 O O   . HOH L .   ? 0.3016 0.4056 0.3103 -0.0083 -0.0055 0.0360  571 HOH B O   
4161 O O   . HOH L .   ? 0.1735 0.1551 0.1400 0.0047  -0.0025 -0.0064 572 HOH B O   
4162 O O   . HOH L .   ? 0.2940 0.3404 0.2909 -0.0148 0.0172  -0.0361 573 HOH B O   
4163 O O   . HOH L .   ? 0.5672 0.7015 0.6519 0.0104  0.0104  0.1196  574 HOH B O   
4164 O O   . HOH L .   ? 0.4670 0.5033 0.4219 -0.0433 -0.0072 0.0191  575 HOH B O   
4165 O O   . HOH L .   ? 0.4053 0.4117 0.4154 -0.0094 0.0241  -0.0212 576 HOH B O   
4166 O O   . HOH L .   ? 0.3084 0.3059 0.2778 0.0057  -0.0111 -0.0010 577 HOH B O   
4167 O O   . HOH L .   ? 0.5419 0.5873 0.5188 0.0242  -0.0143 -0.0300 578 HOH B O   
4168 O O   . HOH L .   ? 0.4150 0.3688 0.3512 -0.0243 -0.0113 0.0080  579 HOH B O   
4169 O O   . HOH L .   ? 0.5920 0.5392 0.5253 -0.0208 -0.0129 0.0016  580 HOH B O   
4170 O O   . HOH L .   ? 0.2714 0.2324 0.2281 0.0081  -0.0103 0.0020  581 HOH B O   
4171 O O   . HOH L .   ? 0.3871 0.4692 0.3949 0.0029  -0.0004 -0.0012 582 HOH B O   
4172 O O   . HOH L .   ? 0.4999 0.5178 0.5925 0.0095  0.0367  0.0816  583 HOH B O   
4173 O O   . HOH L .   ? 0.3448 0.3841 0.3572 -0.0059 0.0149  -0.0130 584 HOH B O   
4174 O O   . HOH L .   ? 0.3535 0.4278 0.3765 -0.0037 0.0019  0.0547  585 HOH B O   
4175 O O   . HOH L .   ? 0.1492 0.1345 0.1661 -0.0004 0.0251  0.0096  586 HOH B O   
4176 O O   . HOH L .   ? 0.3312 0.3755 0.3127 0.0251  -0.0116 -0.0230 587 HOH B O   
4177 O O   . HOH L .   ? 0.4964 0.4753 0.5553 -0.0082 0.0455  0.0122  588 HOH B O   
4178 O O   . HOH L .   ? 0.6439 0.7395 0.6705 -0.0039 -0.0003 0.0572  589 HOH B O   
4179 O O   . HOH L .   ? 0.5153 0.5399 0.4785 0.0001  -0.0125 -0.0188 590 HOH B O   
4180 O O   . HOH L .   ? 0.2776 0.2929 0.3191 0.0077  0.0234  0.0381  591 HOH B O   
4181 O O   . HOH L .   ? 0.1688 0.1557 0.1970 0.0042  0.0264  0.0152  592 HOH B O   
4182 O O   . HOH L .   ? 0.3224 0.3315 0.3179 -0.0106 0.0201  -0.0279 593 HOH B O   
4183 O O   . HOH L .   ? 0.5125 0.5155 0.4981 -0.0105 0.0171  -0.0258 594 HOH B O   
4184 O O   . HOH L .   ? 0.4134 0.4217 0.4606 0.0105  0.0254  0.0379  595 HOH B O   
4185 O O   . HOH L .   ? 0.4855 0.5950 0.5078 -0.0071 -0.0024 0.0522  596 HOH B O   
4186 O O   . HOH L .   ? 0.2580 0.3548 0.2605 -0.0013 -0.0059 0.0116  597 HOH B O   
4187 O O   . HOH L .   ? 0.4753 0.4142 0.4178 0.0068  -0.0167 -0.0003 598 HOH B O   
4188 O O   . HOH L .   ? 0.5286 0.5716 0.5122 0.0451  -0.0215 -0.0160 599 HOH B O   
4189 O O   . HOH L .   ? 0.3649 0.4528 0.3763 -0.0016 -0.0026 0.0244  600 HOH B O   
4190 O O   . HOH L .   ? 0.3201 0.3890 0.3451 -0.0068 0.0106  0.0172  601 HOH B O   
4191 O O   . HOH L .   ? 0.4234 0.5309 0.4075 -0.0035 -0.0001 -0.0432 602 HOH B O   
4192 O O   . HOH L .   ? 0.2781 0.3430 0.2706 0.0137  -0.0042 -0.0249 603 HOH B O   
4193 O O   . HOH L .   ? 0.5106 0.4894 0.5575 -0.0129 0.0456  -0.0057 604 HOH B O   
4194 O O   . HOH L .   ? 0.7062 0.7466 0.6739 0.0086  -0.0129 -0.0294 605 HOH B O   
4195 O O   . HOH L .   ? 0.5934 0.5755 0.6716 -0.0025 0.0469  0.0403  606 HOH B O   
4196 O O   . HOH L .   ? 0.4718 0.5339 0.4494 -0.0308 0.0204  -0.0517 607 HOH B O   
4197 O O   . HOH L .   ? 0.4691 0.4723 0.5037 0.0063  0.0234  0.0297  608 HOH B O   
4198 O O   . HOH L .   ? 0.5290 0.5906 0.5025 -0.0194 -0.0098 0.0103  609 HOH B O   
4199 O O   . HOH L .   ? 0.5714 0.4928 0.4987 -0.0106 -0.0160 0.0063  610 HOH B O   
4200 O O   . HOH L .   ? 0.4665 0.5120 0.5283 0.0136  0.0212  0.0636  611 HOH B O   
4201 O O   . HOH L .   ? 0.1908 0.2942 0.1919 -0.0004 -0.0064 0.0053  612 HOH B O   
4202 O O   . HOH L .   ? 0.5532 0.5913 0.5207 -0.0059 -0.0115 -0.0093 613 HOH B O   
4203 O O   . HOH L .   ? 0.3046 0.3860 0.3208 -0.0028 0.0042  0.0097  614 HOH B O   
4204 O O   . HOH L .   ? 0.4932 0.4950 0.5265 0.0077  0.0206  0.0303  615 HOH B O   
4205 O O   . HOH L .   ? 0.5853 0.7269 0.6577 0.0038  0.0062  0.1127  616 HOH B O   
4206 O O   . HOH L .   ? 0.7087 0.7685 0.6885 0.0276  -0.0145 -0.0353 617 HOH B O   
4207 O O   . HOH L .   ? 0.4788 0.5737 0.4695 -0.0031 -0.0092 0.0017  618 HOH B O   
4208 O O   . HOH L .   ? 0.5319 0.6553 0.5480 -0.0104 0.0021  0.0103  619 HOH B O   
4209 O O   . HOH L .   ? 0.4979 0.5035 0.4580 -0.0122 -0.0108 0.0019  620 HOH B O   
4210 O O   . HOH L .   ? 0.6306 0.6672 0.6610 -0.0187 0.0272  -0.0017 621 HOH B O   
4211 O O   . HOH L .   ? 0.5148 0.6438 0.5661 -0.0066 0.0041  0.0878  622 HOH B O   
4212 O O   . HOH L .   ? 0.5103 0.5449 0.4472 -0.0519 -0.0092 -0.0097 623 HOH B O   
4213 O O   . HOH L .   ? 0.4664 0.5009 0.4425 0.0208  -0.0138 -0.0226 624 HOH B O   
4214 O O   . HOH L .   ? 0.7698 0.8234 0.8797 0.0249  0.0319  0.1081  625 HOH B O   
4215 O O   . HOH L .   ? 0.4430 0.4294 0.4687 0.0052  0.0228  0.0137  626 HOH B O   
4216 O O   . HOH L .   ? 0.4911 0.6042 0.5237 -0.0059 -0.0004 0.0695  627 HOH B O   
4217 O O   . HOH L .   ? 0.5845 0.7050 0.6276 -0.0045 0.0018  0.0781  628 HOH B O   
4218 O O   . HOH L .   ? 0.3905 0.4753 0.4297 -0.0050 0.0085  0.0537  629 HOH B O   
4219 O O   . HOH L .   ? 0.4520 0.5336 0.4349 -0.0210 -0.0088 0.0222  630 HOH B O   
4220 O O   . HOH L .   ? 0.7717 0.7949 0.8396 -0.0162 0.0371  0.0520  631 HOH B O   
4221 O O   . HOH L .   ? 0.5311 0.5554 0.5671 -0.0241 0.0348  -0.0039 632 HOH B O   
4222 O O   . HOH L .   ? 0.4229 0.4931 0.4207 -0.0045 -0.0063 0.0234  633 HOH B O   
4223 O O   . HOH L .   ? 0.6595 0.6864 0.7354 -0.0110 0.0360  0.0673  634 HOH B O   
4224 O O   . HOH L .   ? 0.3552 0.4124 0.3385 0.0298  -0.0138 -0.0265 635 HOH B O   
4225 O O   . HOH L .   ? 0.4088 0.4241 0.4196 -0.0097 0.0224  -0.0206 636 HOH B O   
4226 O O   . HOH L .   ? 0.5472 0.5345 0.6091 0.0083  0.0363  0.0319  637 HOH B O   
4227 O O   . HOH L .   ? 0.2891 0.2912 0.2902 -0.0198 0.0318  -0.0360 638 HOH B O   
4228 O O   . HOH L .   ? 0.5941 0.6539 0.5879 -0.0083 -0.0060 0.0270  639 HOH B O   
4229 O O   . HOH L .   ? 0.4947 0.4350 0.4343 -0.0051 -0.0144 0.0032  640 HOH B O   
4230 O O   . HOH L .   ? 0.5588 0.6045 0.6548 0.0048  0.0320  0.1029  641 HOH B O   
4231 O O   . HOH L .   ? 0.3879 0.3669 0.4360 0.0011  0.0376  0.0106  642 HOH B O   
4232 O O   . HOH L .   ? 0.7036 0.7077 0.7906 -0.0126 0.0460  0.0675  643 HOH B O   
4233 O O   . HOH L .   ? 0.6526 0.6749 0.7519 0.0071  0.0382  0.0928  644 HOH B O   
4234 O O   . HOH L .   ? 0.4259 0.3870 0.3801 0.0217  -0.0175 -0.0042 645 HOH B O   
4235 O O   . HOH L .   ? 0.5867 0.5469 0.5382 0.0021  -0.0136 -0.0008 646 HOH B O   
4236 O O   . HOH L .   ? 0.5871 0.6071 0.6037 -0.0108 0.0234  -0.0162 647 HOH B O   
4237 O O   . HOH L .   ? 0.6211 0.7169 0.6081 0.0124  -0.0112 -0.0258 648 HOH B O   
4238 O O   . HOH L .   ? 0.5068 0.5196 0.5926 0.0169  0.0348  0.0681  649 HOH B O   
4239 O O   . HOH L .   ? 0.3773 0.4502 0.3565 -0.0302 0.0188  -0.0529 650 HOH B O   
4240 O O   . HOH L .   ? 0.4674 0.5503 0.4504 0.0091  -0.0114 -0.0224 651 HOH B O   
4241 O O   . HOH L .   ? 0.5918 0.6061 0.5392 0.0036  -0.0120 -0.0097 652 HOH B O   
4242 O O   . HOH L .   ? 0.4646 0.5356 0.4679 0.0014  0.0039  -0.0201 653 HOH B O   
4243 O O   . HOH L .   ? 0.4914 0.5888 0.4811 0.0066  -0.0100 -0.0155 654 HOH B O   
4244 O O   . HOH L .   ? 0.4439 0.4254 0.4748 0.0027  0.0315  0.0082  655 HOH B O   
4245 O O   . HOH L .   ? 0.5334 0.4719 0.4703 -0.0059 -0.0151 -0.0015 656 HOH B O   
4246 O O   . HOH L .   ? 0.4932 0.4725 0.5066 0.0032  0.0151  0.0063  657 HOH B O   
4247 O O   . HOH L .   ? 0.6521 0.7077 0.7628 0.0183  0.0317  0.1175  658 HOH B O   
4248 O O   . HOH L .   ? 0.4636 0.5585 0.4518 0.0031  -0.0100 -0.0117 659 HOH B O   
4249 O O   . HOH M .   ? 0.2223 0.2406 0.2376 0.0111  0.0262  -0.0218 601 HOH D O   
4250 O O   . HOH M .   ? 0.4210 0.4660 0.4416 0.0093  0.0060  0.0241  602 HOH D O   
4251 O O   . HOH M .   ? 0.5303 0.4968 0.5536 0.0080  -0.0106 0.0018  603 HOH D O   
4252 O O   . HOH M .   ? 0.5563 0.5120 0.5251 0.0171  0.0337  0.0086  604 HOH D O   
4253 O O   . HOH M .   ? 0.2285 0.2306 0.2455 0.0119  0.0027  -0.0121 605 HOH D O   
4254 O O   . HOH M .   ? 0.6577 0.7117 0.7896 -0.0398 0.0057  0.0797  606 HOH D O   
4255 O O   . HOH M .   ? 0.5622 0.5471 0.6039 0.0159  0.0016  0.0568  607 HOH D O   
4256 O O   . HOH M .   ? 0.2390 0.2532 0.2629 0.0106  -0.0011 0.0086  608 HOH D O   
4257 O O   . HOH M .   ? 0.3309 0.3279 0.3866 -0.0171 -0.0108 0.0255  609 HOH D O   
4258 O O   . HOH M .   ? 0.4415 0.4202 0.5074 -0.0098 -0.0017 0.0543  610 HOH D O   
4259 O O   . HOH M .   ? 0.3708 0.3522 0.3605 0.0176  0.0156  -0.0164 611 HOH D O   
4260 O O   . HOH M .   ? 0.2745 0.2956 0.3135 0.0103  0.0057  0.0559  612 HOH D O   
4261 O O   . HOH M .   ? 0.1841 0.2115 0.1996 -0.0038 0.0137  -0.0159 613 HOH D O   
4262 O O   . HOH M .   ? 0.2991 0.2533 0.2991 0.0147  -0.0285 -0.0292 614 HOH D O   
4263 O O   . HOH M .   ? 0.2424 0.2117 0.2265 0.0100  0.0093  -0.0040 615 HOH D O   
4264 O O   . HOH M .   ? 0.3115 0.3199 0.3806 -0.0167 -0.0009 0.0515  616 HOH D O   
4265 O O   . HOH M .   ? 0.1798 0.2187 0.2046 0.0061  0.0036  -0.0067 617 HOH D O   
4266 O O   . HOH M .   ? 0.3206 0.2872 0.3038 0.0163  -0.0003 -0.0138 618 HOH D O   
4267 O O   . HOH M .   ? 0.4014 0.4683 0.4126 0.0142  0.0064  -0.0016 619 HOH D O   
4268 O O   . HOH M .   ? 0.4631 0.4815 0.4817 -0.0095 0.0180  -0.0224 620 HOH D O   
4269 O O   . HOH M .   ? 0.6584 0.6600 0.6326 0.0292  0.0275  0.0050  621 HOH D O   
4270 O O   . HOH M .   ? 0.5657 0.5401 0.6397 -0.0242 -0.0411 -0.0118 622 HOH D O   
4271 O O   . HOH M .   ? 0.4184 0.3819 0.3920 0.0136  0.0246  0.0077  623 HOH D O   
4272 O O   . HOH M .   ? 0.4205 0.5473 0.4319 0.0371  -0.0042 -0.0154 624 HOH D O   
4273 O O   . HOH M .   ? 0.4093 0.4247 0.4702 -0.0181 -0.0095 0.0297  625 HOH D O   
4274 O O   . HOH M .   ? 0.1791 0.1450 0.1797 0.0102  -0.0066 -0.0136 626 HOH D O   
4275 O O   . HOH M .   ? 0.4840 0.5031 0.4953 -0.0045 0.0181  -0.0223 627 HOH D O   
4276 O O   . HOH M .   ? 0.5375 0.5954 0.5836 0.0021  0.0119  0.0604  628 HOH D O   
4277 O O   . HOH M .   ? 0.5140 0.4885 0.5625 0.0040  -0.0026 0.0473  629 HOH D O   
4278 O O   . HOH M .   ? 0.6500 0.6979 0.6752 0.0052  0.0096  0.0354  630 HOH D O   
4279 O O   . HOH M .   ? 0.1541 0.1416 0.1584 0.0140  0.0066  -0.0166 631 HOH D O   
4280 O O   . HOH M .   ? 0.2784 0.3136 0.3025 0.0102  0.0014  -0.0009 632 HOH D O   
4281 O O   . HOH M .   ? 0.1874 0.2145 0.2005 0.0030  0.0103  0.0164  633 HOH D O   
4282 O O   . HOH M .   ? 0.3036 0.3464 0.3266 0.0175  0.0032  0.0313  634 HOH D O   
4283 O O   . HOH M .   ? 0.1223 0.1049 0.0956 0.0227  0.0124  0.0111  635 HOH D O   
4284 O O   . HOH M .   ? 0.2558 0.2244 0.2476 0.0109  0.0001  -0.0118 636 HOH D O   
4285 O O   . HOH M .   ? 0.4311 0.3866 0.4632 0.0072  -0.0131 0.0109  637 HOH D O   
4286 O O   . HOH M .   ? 0.4484 0.4767 0.4944 0.0079  0.0097  0.0675  638 HOH D O   
4287 O O   . HOH M .   ? 0.1644 0.1353 0.1520 0.0058  0.0280  -0.0063 639 HOH D O   
4288 O O   . HOH M .   ? 0.3644 0.3793 0.4318 -0.0195 -0.0057 0.0397  640 HOH D O   
4289 O O   . HOH M .   ? 0.3775 0.4434 0.3761 0.0333  0.0193  0.0317  641 HOH D O   
4290 O O   . HOH M .   ? 0.1572 0.1966 0.1725 0.0057  0.0091  0.0172  642 HOH D O   
4291 O O   . HOH M .   ? 0.1737 0.1506 0.1812 0.0145  -0.0027 -0.0137 643 HOH D O   
4292 O O   . HOH M .   ? 0.1137 0.1462 0.1330 0.0020  0.0062  0.0009  644 HOH D O   
4293 O O   . HOH M .   ? 0.5108 0.4772 0.4893 0.0108  0.0175  0.0016  645 HOH D O   
4294 O O   . HOH M .   ? 0.5751 0.6016 0.5732 0.0088  0.0178  -0.0148 646 HOH D O   
4295 O O   . HOH M .   ? 0.1401 0.1346 0.1621 -0.0055 -0.0049 0.0108  647 HOH D O   
4296 O O   . HOH M .   ? 0.3001 0.2832 0.2779 0.0189  0.0260  0.0091  648 HOH D O   
4297 O O   . HOH M .   ? 0.1284 0.1405 0.1276 0.0172  -0.0146 0.0012  649 HOH D O   
4298 O O   . HOH M .   ? 0.5772 0.5704 0.6070 0.0181  -0.0034 0.0311  650 HOH D O   
4299 O O   . HOH M .   ? 0.1100 0.1346 0.1352 0.0013  0.0085  -0.0145 651 HOH D O   
4300 O O   . HOH M .   ? 0.1739 0.1709 0.1910 0.0079  0.0017  -0.0082 652 HOH D O   
4301 O O   . HOH M .   ? 0.1570 0.1656 0.1749 0.0018  0.0174  -0.0176 653 HOH D O   
4302 O O   . HOH M .   ? 0.5706 0.5690 0.5960 0.0214  -0.0045 0.0205  654 HOH D O   
4303 O O   . HOH M .   ? 0.1785 0.1620 0.1720 0.0240  0.0074  -0.0213 655 HOH D O   
4304 O O   . HOH M .   ? 0.6299 0.6822 0.6477 0.0010  0.0098  -0.0255 656 HOH D O   
4305 O O   . HOH M .   ? 0.1712 0.1393 0.1705 0.0073  -0.0058 -0.0104 657 HOH D O   
4306 O O   . HOH M .   ? 0.4682 0.4291 0.4956 0.0040  -0.0129 0.0035  658 HOH D O   
4307 O O   . HOH M .   ? 0.5902 0.6095 0.6141 0.0294  -0.0006 0.0364  659 HOH D O   
4308 O O   . HOH M .   ? 0.3630 0.4288 0.3774 0.0165  0.0104  0.0296  660 HOH D O   
4309 O O   . HOH M .   ? 0.2032 0.2121 0.2235 -0.0092 0.0174  -0.0154 661 HOH D O   
4310 O O   . HOH M .   ? 0.4344 0.4058 0.4566 -0.0027 -0.0207 -0.0073 662 HOH D O   
4311 O O   . HOH M .   ? 0.2597 0.2647 0.2535 -0.0242 0.0054  0.0147  663 HOH D O   
4312 O O   . HOH M .   ? 0.1295 0.1103 0.1116 0.0133  0.0226  0.0095  664 HOH D O   
4313 O O   . HOH M .   ? 0.4520 0.4211 0.5027 -0.0115 -0.0131 0.0213  665 HOH D O   
4314 O O   . HOH M .   ? 0.2993 0.3204 0.3101 0.0087  0.0050  0.0070  666 HOH D O   
4315 O O   . HOH M .   ? 0.4961 0.4662 0.4877 -0.0007 0.0266  -0.0007 667 HOH D O   
4316 O O   . HOH M .   ? 0.1954 0.1622 0.1748 0.0109  0.0154  -0.0008 668 HOH D O   
4317 O O   . HOH M .   ? 0.4839 0.5223 0.4930 0.0089  0.0128  0.0188  669 HOH D O   
4318 O O   . HOH M .   ? 0.1464 0.1798 0.1711 -0.0017 0.0084  -0.0133 670 HOH D O   
4319 O O   . HOH M .   ? 0.1759 0.1457 0.1782 0.0052  -0.0087 -0.0086 671 HOH D O   
4320 O O   . HOH M .   ? 0.3997 0.3712 0.3670 0.0255  0.0280  0.0133  672 HOH D O   
4321 O O   . HOH M .   ? 0.5931 0.5595 0.5577 0.0266  0.0135  -0.0113 673 HOH D O   
4322 O O   . HOH M .   ? 0.3394 0.3915 0.3624 0.0171  0.0065  0.0391  674 HOH D O   
4323 O O   . HOH M .   ? 0.2371 0.2083 0.2290 0.0070  0.0056  -0.0066 675 HOH D O   
4324 O O   . HOH M .   ? 0.2717 0.2730 0.2716 0.0021  0.0183  0.0013  676 HOH D O   
4325 O O   . HOH M .   ? 0.4521 0.5046 0.4427 0.0377  0.0191  0.0288  677 HOH D O   
4326 O O   . HOH M .   ? 0.2564 0.2396 0.2991 -0.0119 -0.0117 0.0162  678 HOH D O   
4327 O O   . HOH M .   ? 0.1388 0.1392 0.1197 0.0247  0.0001  0.0088  679 HOH D O   
4328 O O   . HOH M .   ? 0.2719 0.2948 0.3375 -0.0158 0.0000  0.0492  680 HOH D O   
4329 O O   . HOH M .   ? 0.3854 0.4420 0.4245 0.0007  0.0082  0.0434  681 HOH D O   
4330 O O   . HOH M .   ? 0.1845 0.1570 0.1790 0.0072  0.0062  -0.0090 682 HOH D O   
4331 O O   . HOH M .   ? 0.5129 0.4649 0.5371 0.0050  -0.0171 -0.0043 683 HOH D O   
4332 O O   . HOH M .   ? 0.5510 0.5254 0.5296 0.0281  0.0086  -0.0212 684 HOH D O   
4333 O O   . HOH M .   ? 0.1223 0.1260 0.1127 0.0192  -0.0063 0.0052  685 HOH D O   
4334 O O   . HOH M .   ? 0.3950 0.3823 0.3635 0.0317  0.0254  0.0164  686 HOH D O   
4335 O O   . HOH M .   ? 0.3040 0.3114 0.3266 -0.0099 0.0239  -0.0189 687 HOH D O   
4336 O O   . HOH M .   ? 0.5639 0.5635 0.5616 0.0186  0.0252  -0.0189 688 HOH D O   
4337 O O   . HOH M .   ? 0.1688 0.1723 0.1910 0.0005  -0.0200 -0.0004 689 HOH D O   
4338 O O   . HOH M .   ? 0.2724 0.2383 0.2513 0.0096  0.0217  0.0050  690 HOH D O   
4339 O O   . HOH M .   ? 0.3332 0.3851 0.3571 0.0100  0.0025  -0.0050 691 HOH D O   
4340 O O   . HOH M .   ? 0.5600 0.5454 0.6075 -0.0142 -0.0239 0.0026  692 HOH D O   
4341 O O   . HOH M .   ? 0.3713 0.3711 0.3409 0.0353  0.0282  0.0116  693 HOH D O   
4342 O O   . HOH M .   ? 0.4693 0.4460 0.5083 -0.0107 -0.0150 0.0090  694 HOH D O   
4343 O O   . HOH M .   ? 0.5765 0.6417 0.5845 0.0148  0.0082  -0.0013 695 HOH D O   
4344 O O   . HOH M .   ? 0.1321 0.1035 0.1398 0.0074  -0.0044 -0.0099 696 HOH D O   
4345 O O   . HOH M .   ? 0.2470 0.2472 0.2803 -0.0069 -0.0183 0.0046  697 HOH D O   
4346 O O   . HOH M .   ? 0.4236 0.3906 0.4019 0.0140  0.0127  -0.0062 698 HOH D O   
4347 O O   . HOH M .   ? 0.2371 0.2851 0.2594 0.0146  0.0010  0.0051  699 HOH D O   
4348 O O   . HOH M .   ? 0.4103 0.3695 0.3872 0.0101  0.0325  0.0044  700 HOH D O   
4349 O O   . HOH M .   ? 0.1094 0.0970 0.1081 0.0143  0.0136  -0.0171 701 HOH D O   
4350 O O   . HOH M .   ? 0.3887 0.4688 0.3709 0.0476  0.0242  0.0226  702 HOH D O   
4351 O O   . HOH M .   ? 0.3747 0.3589 0.3989 -0.0041 -0.0187 -0.0020 703 HOH D O   
4352 O O   . HOH M .   ? 0.6128 0.6164 0.5814 0.0360  0.0293  0.0019  704 HOH D O   
4353 O O   . HOH M .   ? 0.3583 0.3206 0.3483 0.0182  -0.0078 -0.0200 705 HOH D O   
4354 O O   . HOH M .   ? 0.2698 0.3049 0.2928 0.0164  -0.0002 0.0125  706 HOH D O   
4355 O O   . HOH M .   ? 0.1451 0.1700 0.1723 -0.0025 0.0140  -0.0194 707 HOH D O   
4356 O O   . HOH M .   ? 0.3628 0.3256 0.3609 0.0112  -0.0167 -0.0180 708 HOH D O   
4357 O O   . HOH M .   ? 0.6203 0.6460 0.6438 0.0241  -0.0013 0.0250  709 HOH D O   
4358 O O   . HOH M .   ? 0.2852 0.3207 0.3435 -0.0130 -0.0149 0.0216  710 HOH D O   
4359 O O   . HOH M .   ? 0.2663 0.2295 0.2770 0.0074  -0.0109 -0.0104 711 HOH D O   
4360 O O   . HOH M .   ? 0.5913 0.5666 0.6287 0.0088  -0.0058 0.0316  712 HOH D O   
4361 O O   . HOH M .   ? 0.4179 0.4880 0.4405 0.0180  0.0003  -0.0043 713 HOH D O   
4362 O O   . HOH M .   ? 0.4619 0.5176 0.4875 0.0189  0.0090  0.0505  714 HOH D O   
4363 O O   . HOH M .   ? 0.5894 0.6093 0.6573 -0.0009 0.0144  0.0870  715 HOH D O   
4364 O O   . HOH M .   ? 0.5544 0.5952 0.6305 -0.0206 -0.0062 0.0413  716 HOH D O   
4365 O O   . HOH M .   ? 0.5584 0.5921 0.5297 0.0434  0.0266  0.0086  717 HOH D O   
4366 O O   . HOH M .   ? 0.5400 0.6235 0.5580 0.0323  -0.0018 0.0063  718 HOH D O   
4367 O O   . HOH M .   ? 0.4344 0.4600 0.5071 -0.0218 -0.0121 0.0312  719 HOH D O   
4368 O O   . HOH M .   ? 0.4960 0.4838 0.5247 -0.0076 -0.0122 0.0069  720 HOH D O   
4369 O O   . HOH M .   ? 0.7431 0.8268 0.8321 -0.0146 0.0119  0.0752  721 HOH D O   
4370 O O   . HOH M .   ? 0.4773 0.5285 0.5666 -0.0166 0.0135  0.0837  722 HOH D O   
4371 O O   . HOH M .   ? 0.3801 0.4043 0.3972 -0.0072 0.0169  -0.0247 723 HOH D O   
4372 O O   . HOH M .   ? 0.3096 0.3505 0.3356 0.0160  0.0049  0.0403  724 HOH D O   
4373 O O   . HOH M .   ? 0.3539 0.3764 0.3860 -0.0130 0.0236  -0.0253 725 HOH D O   
4374 O O   . HOH M .   ? 0.6949 0.6775 0.7164 0.0201  -0.0075 0.0045  726 HOH D O   
4375 O O   . HOH M .   ? 0.3967 0.3613 0.4142 0.0003  -0.0204 -0.0107 727 HOH D O   
4376 O O   . HOH M .   ? 0.4707 0.5400 0.5086 0.0072  0.0137  0.0562  728 HOH D O   
4377 O O   . HOH M .   ? 0.5291 0.5980 0.5607 0.0209  0.0158  0.0705  729 HOH D O   
4378 O O   . HOH M .   ? 0.5454 0.5018 0.5992 -0.0061 -0.0112 0.0304  730 HOH D O   
4379 O O   . HOH M .   ? 0.6099 0.6553 0.6318 0.0234  0.0028  0.0349  731 HOH D O   
4380 O O   . HOH M .   ? 0.5351 0.6060 0.5581 0.0033  0.0062  -0.0319 732 HOH D O   
4381 O O   . HOH M .   ? 0.3903 0.3829 0.3891 0.0198  0.0132  -0.0200 733 HOH D O   
4382 O O   . HOH M .   ? 0.5767 0.6472 0.5941 0.0080  0.0057  -0.0233 734 HOH D O   
4383 O O   . HOH M .   ? 0.6677 0.7013 0.6914 0.0318  0.0040  0.0510  735 HOH D O   
4384 O O   . HOH M .   ? 0.5923 0.6566 0.6202 0.0165  0.0122  0.0555  736 HOH D O   
4385 O O   . HOH M .   ? 0.4955 0.5544 0.5285 0.0046  0.0108  0.0439  737 HOH D O   
4386 O O   . HOH M .   ? 0.6052 0.5735 0.6427 -0.0084 -0.0158 0.0070  738 HOH D O   
4387 O O   . HOH M .   ? 0.4856 0.5711 0.5074 0.0256  -0.0016 -0.0051 739 HOH D O   
4388 O O   . HOH M .   ? 0.5060 0.5211 0.4984 0.0147  0.0196  0.0091  740 HOH D O   
4389 O O   . HOH M .   ? 0.5913 0.5707 0.5765 0.0090  0.0248  0.0050  741 HOH D O   
4390 O O   . HOH M .   ? 0.5908 0.6278 0.6865 -0.0214 0.0111  0.0825  742 HOH D O   
4391 O O   . HOH M .   ? 0.6506 0.6392 0.6658 0.0162  -0.0029 -0.0092 743 HOH D O   
4392 O O   . HOH M .   ? 0.7203 0.7987 0.8302 -0.0262 0.0084  0.0765  744 HOH D O   
4393 O O   . HOH M .   ? 0.2833 0.2868 0.3036 0.0081  0.0006  -0.0047 745 HOH D O   
4394 O O   . HOH M .   ? 0.5513 0.5755 0.6163 -0.0184 -0.0177 0.0200  746 HOH D O   
4395 O O   . HOH M .   ? 0.1456 0.1222 0.1556 0.0090  -0.0028 -0.0099 747 HOH D O   
4396 O O   . HOH M .   ? 0.3784 0.3469 0.3628 0.0127  0.0038  -0.0089 748 HOH D O   
4397 O O   . HOH M .   ? 0.5240 0.5024 0.5399 0.0085  -0.0049 -0.0053 749 HOH D O   
4398 O O   . HOH M .   ? 0.4546 0.4324 0.5070 -0.0147 -0.0134 0.0206  750 HOH D O   
4399 O O   . HOH M .   ? 0.6400 0.6880 0.6538 0.0100  0.0125  0.0269  751 HOH D O   
4400 O O   . HOH M .   ? 0.5586 0.5295 0.5828 0.0180  -0.0095 0.0084  752 HOH D O   
4401 O O   . HOH M .   ? 0.3319 0.3623 0.3581 0.0062  0.0056  -0.0135 753 HOH D O   
4402 O O   . HOH M .   ? 0.4558 0.4987 0.4834 0.0052  0.0048  -0.0130 754 HOH D O   
4403 O O   . HOH M .   ? 0.4386 0.4591 0.4870 -0.0107 -0.0187 0.0123  755 HOH D O   
4404 O O   . HOH M .   ? 0.3125 0.3671 0.3315 0.0173  0.0037  0.0216  756 HOH D O   
4405 O O   . HOH M .   ? 0.5616 0.6003 0.6291 -0.0051 0.0131  0.0789  757 HOH D O   
4406 O O   . HOH M .   ? 0.3926 0.4095 0.4152 0.0101  0.0021  -0.0079 758 HOH D O   
4407 O O   . HOH M .   ? 0.3257 0.2925 0.3314 0.0054  -0.0158 -0.0123 759 HOH D O   
4408 O O   . HOH M .   ? 0.5932 0.6658 0.6902 -0.0168 0.0176  0.0910  760 HOH D O   
4409 O O   . HOH M .   ? 0.3832 0.3469 0.3784 0.0120  -0.0108 -0.0159 761 HOH D O   
4410 O O   . HOH M .   ? 0.4662 0.5317 0.4800 0.0079  0.0074  -0.0240 762 HOH D O   
4411 O O   . HOH M .   ? 0.4711 0.4696 0.5245 -0.0167 -0.0135 0.0200  763 HOH D O   
4412 O O   . HOH M .   ? 0.4265 0.3886 0.3961 0.0165  0.0209  0.0004  764 HOH D O   
4413 O O   . HOH M .   ? 0.3491 0.4229 0.3228 0.0517  0.0249  0.0130  765 HOH D O   
4414 O O   . HOH M .   ? 0.4528 0.4609 0.4456 0.0100  0.0212  -0.0016 766 HOH D O   
4415 O O   . HOH M .   ? 0.4475 0.4886 0.5267 0.0144  0.0027  -0.0303 767 HOH D O   
4416 O O   . HOH M .   ? 0.5742 0.6112 0.5886 -0.0024 0.0150  -0.0342 768 HOH D O   
4417 O O   . HOH M .   ? 0.5887 0.6289 0.6157 0.0093  0.0032  -0.0109 769 HOH D O   
# 
