data_7OAQ
# 
_entry.id   7OAQ 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.347 
_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   7OAQ         pdb_00007oaq 10.2210/pdb7oaq/pdb 
WWPDB D_1292115387 ?            ?                   
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        7OAQ 
_pdbx_database_status.recvd_initial_deposition_date   2021-04-20 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Naismith, J.H.' 1 0000-0001-6744-5061 
'Mikolajek, H.'  2 0000-0003-0776-9974 
# 
_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            'Res Sq' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2693-5015 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19' 
_citation.year                      2021 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.21203/rs.3.rs-548968/v1 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Huo, J.'          1  ? 
primary 'Mikolajek, H.'    2  ? 
primary 'Le Bas, A.'       3  ? 
primary 'Clark, J.'        4  ? 
primary 'Sharma, P.'       5  ? 
primary 'Kipar, A.'        6  ? 
primary 'Dormon, J.'       7  ? 
primary 'Norman, C.'       8  ? 
primary 'Weckener, M.'     9  ? 
primary 'Clare, D.'        10 ? 
primary 'Harrison, P.'     11 ? 
primary 'Tree, J.'         12 ? 
primary 'Buttigieg, K.'    13 ? 
primary 'Salguero, F.'     14 ? 
primary 'Watson, R.'       15 ? 
primary 'Knott, D.'        16 ? 
primary 'Carnell, O.'      17 ? 
primary 'Ngabo, D.'        18 ? 
primary 'Elmore, M.'       19 ? 
primary 'Fotheringham, S.' 20 ? 
primary 'Harding, A.'      21 ? 
primary 'Ward, P.'         22 ? 
primary 'Moynie, L.'       23 ? 
primary 'Dumoux, M.'       24 ? 
primary 'Hall, Y.'         25 ? 
primary 'Hiscox, J.'       26 ? 
primary 'Owen, A.'         27 ? 
primary 'James, W.'        28 ? 
primary 'Carroll, M.'      29 ? 
primary 'Stewart, J.'      30 ? 
primary 'Naismith, J.'     31 ? 
primary 'Owens, R.'        32 ? 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     7OAQ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     105.857 
_cell.length_a_esd                 ? 
_cell.length_b                     105.857 
_cell.length_b_esd                 ? 
_cell.length_c                     112.709 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
# 
_symmetry.entry_id                         7OAQ 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                96 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 43 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
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 H3                                       14659.114 1   ? ?     ? ? 
2 polymer     man 'Spike protein S1'                       23765.652 1   ? N501Y ? ? 
3 polymer     man H3                                       15134.849 1   ? ?     ? ? 
4 non-polymer syn 2-acetamido-2-deoxy-beta-D-glucopyranose 221.208   1   ? ?     ? ? 
5 non-polymer syn 'CITRIC ACID'                            192.124   1   ? ?     ? ? 
6 non-polymer syn 'CHLORIDE ION'                           35.453    1   ? ?     ? ? 
7 water       nat water                                    18.015    375 ? ?     ? ? 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no 
;QVQLVESGGGLVQPGGSLRLSCAASGFTNDFYSIAWFRQAPGKEREGVSWLSVSDNTPTYVDSVKDRFTISRHNANNTVY
LQMNMLKPEDTAIYYCAAGRFAGRDTWPSSYDYWGQGTQVTVSSKHHHHHH
;
;QVQLVESGGGLVQPGGSLRLSCAASGFTNDFYSIAWFRQAPGKEREGVSWLSVSDNTPTYVDSVKDRFTISRHNANNTVY
LQMNMLKPEDTAIYYCAAGRFAGRDTWPSSYDYWGQGTQVTVSSKHHHHHH
;
AAA ? 
2 'polypeptide(L)' no no 
;PNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQ
IAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCY
FPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKSTNKHHHHHH
;
;PNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQ
IAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCY
FPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKSTNKHHHHHH
;
EEE ? 
3 'polypeptide(L)' no no 
;MAQVQLVESGGGLVKTGGSLRLSCAASGRTFSTYSMGWFRQAPGKEREFVAGMRWTGSSTFYSDSVKGRFTVSRNNAKDT
VYLHMNSLKPEDTAVYYCAITTIVRAYYTEYTEADFGSWGQGTQVTVSSKHHHHHH
;
;MAQVQLVESGGGLVKTGGSLRLSCAASGRTFSTYSMGWFRQAPGKEREFVAGMRWTGSSTFYSDSVKGRFTVSRNNAKDT
VYLHMNSLKPEDTAVYYCAITTIVRAYYTEYTEADFGSWGQGTQVTVSSKHHHHHH
;
FFF ? 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLN n 
1 2   VAL n 
1 3   GLN n 
1 4   LEU n 
1 5   VAL n 
1 6   GLU n 
1 7   SER n 
1 8   GLY n 
1 9   GLY n 
1 10  GLY n 
1 11  LEU n 
1 12  VAL n 
1 13  GLN n 
1 14  PRO n 
1 15  GLY n 
1 16  GLY n 
1 17  SER n 
1 18  LEU n 
1 19  ARG n 
1 20  LEU n 
1 21  SER n 
1 22  CYS n 
1 23  ALA n 
1 24  ALA n 
1 25  SER n 
1 26  GLY n 
1 27  PHE n 
1 28  THR n 
1 29  ASN n 
1 30  ASP n 
1 31  PHE n 
1 32  TYR n 
1 33  SER n 
1 34  ILE n 
1 35  ALA n 
1 36  TRP n 
1 37  PHE n 
1 38  ARG n 
1 39  GLN n 
1 40  ALA n 
1 41  PRO n 
1 42  GLY n 
1 43  LYS n 
1 44  GLU n 
1 45  ARG n 
1 46  GLU n 
1 47  GLY n 
1 48  VAL n 
1 49  SER n 
1 50  TRP n 
1 51  LEU n 
1 52  SER n 
1 53  VAL n 
1 54  SER n 
1 55  ASP n 
1 56  ASN n 
1 57  THR n 
1 58  PRO n 
1 59  THR n 
1 60  TYR n 
1 61  VAL n 
1 62  ASP n 
1 63  SER n 
1 64  VAL n 
1 65  LYS n 
1 66  ASP n 
1 67  ARG n 
1 68  PHE n 
1 69  THR n 
1 70  ILE n 
1 71  SER n 
1 72  ARG n 
1 73  HIS n 
1 74  ASN n 
1 75  ALA n 
1 76  ASN n 
1 77  ASN n 
1 78  THR n 
1 79  VAL n 
1 80  TYR n 
1 81  LEU n 
1 82  GLN n 
1 83  MET n 
1 84  ASN n 
1 85  MET n 
1 86  LEU n 
1 87  LYS n 
1 88  PRO n 
1 89  GLU n 
1 90  ASP n 
1 91  THR n 
1 92  ALA n 
1 93  ILE n 
1 94  TYR n 
1 95  TYR n 
1 96  CYS n 
1 97  ALA n 
1 98  ALA n 
1 99  GLY n 
1 100 ARG n 
1 101 PHE n 
1 102 ALA n 
1 103 GLY n 
1 104 ARG n 
1 105 ASP n 
1 106 THR n 
1 107 TRP n 
1 108 PRO n 
1 109 SER n 
1 110 SER n 
1 111 TYR n 
1 112 ASP n 
1 113 TYR n 
1 114 TRP n 
1 115 GLY n 
1 116 GLN n 
1 117 GLY n 
1 118 THR n 
1 119 GLN n 
1 120 VAL n 
1 121 THR n 
1 122 VAL n 
1 123 SER n 
1 124 SER n 
1 125 LYS n 
1 126 HIS n 
1 127 HIS n 
1 128 HIS n 
1 129 HIS n 
1 130 HIS n 
1 131 HIS n 
2 1   PRO n 
2 2   ASN n 
2 3   ILE n 
2 4   THR n 
2 5   ASN n 
2 6   LEU n 
2 7   CYS n 
2 8   PRO n 
2 9   PHE n 
2 10  GLY n 
2 11  GLU n 
2 12  VAL n 
2 13  PHE n 
2 14  ASN n 
2 15  ALA n 
2 16  THR n 
2 17  ARG n 
2 18  PHE n 
2 19  ALA n 
2 20  SER n 
2 21  VAL n 
2 22  TYR n 
2 23  ALA n 
2 24  TRP n 
2 25  ASN n 
2 26  ARG n 
2 27  LYS n 
2 28  ARG n 
2 29  ILE n 
2 30  SER n 
2 31  ASN n 
2 32  CYS n 
2 33  VAL n 
2 34  ALA n 
2 35  ASP n 
2 36  TYR n 
2 37  SER n 
2 38  VAL n 
2 39  LEU n 
2 40  TYR n 
2 41  ASN n 
2 42  SER n 
2 43  ALA n 
2 44  SER n 
2 45  PHE n 
2 46  SER n 
2 47  THR n 
2 48  PHE n 
2 49  LYS n 
2 50  CYS n 
2 51  TYR n 
2 52  GLY n 
2 53  VAL n 
2 54  SER n 
2 55  PRO n 
2 56  THR n 
2 57  LYS n 
2 58  LEU n 
2 59  ASN n 
2 60  ASP n 
2 61  LEU n 
2 62  CYS n 
2 63  PHE n 
2 64  THR n 
2 65  ASN n 
2 66  VAL n 
2 67  TYR n 
2 68  ALA n 
2 69  ASP n 
2 70  SER n 
2 71  PHE n 
2 72  VAL n 
2 73  ILE n 
2 74  ARG n 
2 75  GLY n 
2 76  ASP n 
2 77  GLU n 
2 78  VAL n 
2 79  ARG n 
2 80  GLN n 
2 81  ILE n 
2 82  ALA n 
2 83  PRO n 
2 84  GLY n 
2 85  GLN n 
2 86  THR n 
2 87  GLY n 
2 88  LYS n 
2 89  ILE n 
2 90  ALA n 
2 91  ASP n 
2 92  TYR n 
2 93  ASN n 
2 94  TYR n 
2 95  LYS n 
2 96  LEU n 
2 97  PRO n 
2 98  ASP n 
2 99  ASP n 
2 100 PHE n 
2 101 THR n 
2 102 GLY n 
2 103 CYS n 
2 104 VAL n 
2 105 ILE n 
2 106 ALA n 
2 107 TRP n 
2 108 ASN n 
2 109 SER n 
2 110 ASN n 
2 111 ASN n 
2 112 LEU n 
2 113 ASP n 
2 114 SER n 
2 115 LYS n 
2 116 VAL n 
2 117 GLY n 
2 118 GLY n 
2 119 ASN n 
2 120 TYR n 
2 121 ASN n 
2 122 TYR n 
2 123 LEU n 
2 124 TYR n 
2 125 ARG n 
2 126 LEU n 
2 127 PHE n 
2 128 ARG n 
2 129 LYS n 
2 130 SER n 
2 131 ASN n 
2 132 LEU n 
2 133 LYS n 
2 134 PRO n 
2 135 PHE n 
2 136 GLU n 
2 137 ARG n 
2 138 ASP n 
2 139 ILE n 
2 140 SER n 
2 141 THR n 
2 142 GLU n 
2 143 ILE n 
2 144 TYR n 
2 145 GLN n 
2 146 ALA n 
2 147 GLY n 
2 148 SER n 
2 149 THR n 
2 150 PRO n 
2 151 CYS n 
2 152 ASN n 
2 153 GLY n 
2 154 VAL n 
2 155 GLU n 
2 156 GLY n 
2 157 PHE n 
2 158 ASN n 
2 159 CYS n 
2 160 TYR n 
2 161 PHE n 
2 162 PRO n 
2 163 LEU n 
2 164 GLN n 
2 165 SER n 
2 166 TYR n 
2 167 GLY n 
2 168 PHE n 
2 169 GLN n 
2 170 PRO n 
2 171 THR n 
2 172 TYR n 
2 173 GLY n 
2 174 VAL n 
2 175 GLY n 
2 176 TYR n 
2 177 GLN n 
2 178 PRO n 
2 179 TYR n 
2 180 ARG n 
2 181 VAL n 
2 182 VAL n 
2 183 VAL n 
2 184 LEU n 
2 185 SER n 
2 186 PHE n 
2 187 GLU n 
2 188 LEU n 
2 189 LEU n 
2 190 HIS n 
2 191 ALA n 
2 192 PRO n 
2 193 ALA n 
2 194 THR n 
2 195 VAL n 
2 196 CYS n 
2 197 GLY n 
2 198 PRO n 
2 199 LYS n 
2 200 LYS n 
2 201 SER n 
2 202 THR n 
2 203 ASN n 
2 204 LYS n 
2 205 HIS n 
2 206 HIS n 
2 207 HIS n 
2 208 HIS n 
2 209 HIS n 
2 210 HIS n 
3 1   MET n 
3 2   ALA n 
3 3   GLN n 
3 4   VAL n 
3 5   GLN n 
3 6   LEU n 
3 7   VAL n 
3 8   GLU n 
3 9   SER n 
3 10  GLY n 
3 11  GLY n 
3 12  GLY n 
3 13  LEU n 
3 14  VAL n 
3 15  LYS n 
3 16  THR n 
3 17  GLY n 
3 18  GLY n 
3 19  SER n 
3 20  LEU n 
3 21  ARG n 
3 22  LEU n 
3 23  SER n 
3 24  CYS n 
3 25  ALA n 
3 26  ALA n 
3 27  SER n 
3 28  GLY n 
3 29  ARG n 
3 30  THR n 
3 31  PHE n 
3 32  SER n 
3 33  THR n 
3 34  TYR n 
3 35  SER n 
3 36  MET n 
3 37  GLY n 
3 38  TRP n 
3 39  PHE n 
3 40  ARG n 
3 41  GLN n 
3 42  ALA n 
3 43  PRO n 
3 44  GLY n 
3 45  LYS n 
3 46  GLU n 
3 47  ARG n 
3 48  GLU n 
3 49  PHE n 
3 50  VAL n 
3 51  ALA n 
3 52  GLY n 
3 53  MET n 
3 54  ARG n 
3 55  TRP n 
3 56  THR n 
3 57  GLY n 
3 58  SER n 
3 59  SER n 
3 60  THR n 
3 61  PHE n 
3 62  TYR n 
3 63  SER n 
3 64  ASP n 
3 65  SER n 
3 66  VAL n 
3 67  LYS n 
3 68  GLY n 
3 69  ARG n 
3 70  PHE n 
3 71  THR n 
3 72  VAL n 
3 73  SER n 
3 74  ARG n 
3 75  ASN n 
3 76  ASN n 
3 77  ALA n 
3 78  LYS n 
3 79  ASP n 
3 80  THR n 
3 81  VAL n 
3 82  TYR n 
3 83  LEU n 
3 84  HIS n 
3 85  MET n 
3 86  ASN n 
3 87  SER n 
3 88  LEU n 
3 89  LYS n 
3 90  PRO n 
3 91  GLU n 
3 92  ASP n 
3 93  THR n 
3 94  ALA n 
3 95  VAL n 
3 96  TYR n 
3 97  TYR n 
3 98  CYS n 
3 99  ALA n 
3 100 ILE n 
3 101 THR n 
3 102 THR n 
3 103 ILE n 
3 104 VAL n 
3 105 ARG n 
3 106 ALA n 
3 107 TYR n 
3 108 TYR n 
3 109 THR n 
3 110 GLU n 
3 111 TYR n 
3 112 THR n 
3 113 GLU n 
3 114 ALA n 
3 115 ASP n 
3 116 PHE n 
3 117 GLY n 
3 118 SER n 
3 119 TRP n 
3 120 GLY n 
3 121 GLN n 
3 122 GLY n 
3 123 THR n 
3 124 GLN n 
3 125 VAL n 
3 126 THR n 
3 127 VAL n 
3 128 SER n 
3 129 SER n 
3 130 LYS n 
3 131 HIS n 
3 132 HIS n 
3 133 HIS n 
3 134 HIS n 
3 135 HIS n 
3 136 HIS n 
# 
loop_
_entity_src_gen.entity_id 
_entity_src_gen.pdbx_src_id 
_entity_src_gen.pdbx_alt_source_flag 
_entity_src_gen.pdbx_seq_type 
_entity_src_gen.pdbx_beg_seq_num 
_entity_src_gen.pdbx_end_seq_num 
_entity_src_gen.gene_src_common_name 
_entity_src_gen.gene_src_genus 
_entity_src_gen.pdbx_gene_src_gene 
_entity_src_gen.gene_src_species 
_entity_src_gen.gene_src_strain 
_entity_src_gen.gene_src_tissue 
_entity_src_gen.gene_src_tissue_fraction 
_entity_src_gen.gene_src_details 
_entity_src_gen.pdbx_gene_src_fragment 
_entity_src_gen.pdbx_gene_src_scientific_name 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 
_entity_src_gen.pdbx_gene_src_variant 
_entity_src_gen.pdbx_gene_src_cell_line 
_entity_src_gen.pdbx_gene_src_atcc 
_entity_src_gen.pdbx_gene_src_organ 
_entity_src_gen.pdbx_gene_src_organelle 
_entity_src_gen.pdbx_gene_src_cell 
_entity_src_gen.pdbx_gene_src_cellular_location 
_entity_src_gen.host_org_common_name 
_entity_src_gen.pdbx_host_org_scientific_name 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 
_entity_src_gen.host_org_genus 
_entity_src_gen.pdbx_host_org_gene 
_entity_src_gen.pdbx_host_org_organ 
_entity_src_gen.host_org_species 
_entity_src_gen.pdbx_host_org_tissue 
_entity_src_gen.pdbx_host_org_tissue_fraction 
_entity_src_gen.pdbx_host_org_strain 
_entity_src_gen.pdbx_host_org_variant 
_entity_src_gen.pdbx_host_org_cell_line 
_entity_src_gen.pdbx_host_org_atcc 
_entity_src_gen.pdbx_host_org_culture_collection 
_entity_src_gen.pdbx_host_org_cell 
_entity_src_gen.pdbx_host_org_organelle 
_entity_src_gen.pdbx_host_org_cellular_location 
_entity_src_gen.pdbx_host_org_vector_type 
_entity_src_gen.pdbx_host_org_vector 
_entity_src_gen.host_org_details 
_entity_src_gen.expression_system_id 
_entity_src_gen.plasmid_name 
_entity_src_gen.plasmid_details 
_entity_src_gen.pdbx_description 
1 1 sample 'Biological sequence' 1 131 ?                       ? ?      ? ? ? ? ? ? 'Lama glama' 9844    ? ? ? ? ? ? ? ? 
'Escherichia coli' 562  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
2 1 sample 'Biological sequence' 1 210 '2019-nCoV, SARS-CoV-2' ? 'S, 2' ? ? ? ? ? ? 
'Severe acute respiratory syndrome coronavirus 2' 2697049 ? ? ? ? ? ? ? ? 'Homo sapiens'     9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
? ? ? ? ? 
3 1 sample 'Biological sequence' 1 136 ?                       ? ?      ? ? ? ? ? ? 'Lama glama' 9844    ? ? ? ? ? ? ? ? 
'Escherichia coli' 562  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 PDB 7OAQ        7OAQ   ? 1 ? 1   
2 UNP SPIKE_SARS2 P0DTC2 ? 2 
;PNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQ
IAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCY
FPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTN
;
330 
3 PDB 7OAQ        7OAQ   ? 3 ? 1   
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 7OAQ AAA 1 ? 131 ? 7OAQ   1   ? 131 ? 1   131 
2 2 7OAQ EEE 1 ? 203 ? P0DTC2 330 ? 532 ? 330 532 
3 3 7OAQ FFF 1 ? 136 ? 7OAQ   -1  ? 134 ? -1  134 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
2 7OAQ TYR EEE 172 ? UNP P0DTC2 ASN 501 'engineered mutation' 501 1 
2 7OAQ LYS EEE 204 ? UNP P0DTC2 ?   ?   'expression tag'      533 2 
2 7OAQ HIS EEE 205 ? UNP P0DTC2 ?   ?   'expression tag'      534 3 
2 7OAQ HIS EEE 206 ? UNP P0DTC2 ?   ?   'expression tag'      535 4 
2 7OAQ HIS EEE 207 ? UNP P0DTC2 ?   ?   'expression tag'      536 5 
2 7OAQ HIS EEE 208 ? UNP P0DTC2 ?   ?   'expression tag'      537 6 
2 7OAQ HIS EEE 209 ? UNP P0DTC2 ?   ?   'expression tag'      538 7 
2 7OAQ HIS EEE 210 ? UNP P0DTC2 ?   ?   'expression tag'      539 8 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking'          y ALANINE                                  ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking'          y ARGININE                                 ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking'          y ASPARAGINE                               ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking'          y 'ASPARTIC ACID'                          ? 'C4 H7 N O4'     133.103 
CIT non-polymer                  . 'CITRIC ACID'                            ? 'C6 H8 O7'       192.124 
CL  non-polymer                  . 'CHLORIDE ION'                           ? 'Cl -1'          35.453  
CYS 'L-peptide linking'          y CYSTEINE                                 ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking'          y GLUTAMINE                                ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking'          y 'GLUTAMIC ACID'                          ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'            y GLYCINE                                  ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking'          y HISTIDINE                                ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer                  . WATER                                    ? 'H2 O'           18.015  
ILE 'L-peptide linking'          y ISOLEUCINE                               ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking'          y LEUCINE                                  ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking'          y LYSINE                                   ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking'          y METHIONINE                               ? 'C5 H11 N O2 S'  149.211 
NAG 'D-saccharide, beta linking' . 2-acetamido-2-deoxy-beta-D-glucopyranose 
;N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE
;
'C8 H15 N O6'    221.208 
PHE 'L-peptide linking'          y PHENYLALANINE                            ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking'          y PROLINE                                  ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking'          y SERINE                                   ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking'          y THREONINE                                ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking'          y TRYPTOPHAN                               ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking'          y TYROSINE                                 ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking'          y VALINE                                   ? 'C5 H11 N O2'    117.146 
# 
_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                   7OAQ 
_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            2.95 
_exptl_crystal.density_method              ? 
_exptl_crystal.density_percent_sol         58.27 
_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_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            293 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '1.0 M Lithium chloride, 0.1 M Citrate pH 4, 20 % Peg 6000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2021-02-24 
_diffrn_detector.pdbx_frequency               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9762 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'DIAMOND BEAMLINE I04' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9762 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I04 
_diffrn_source.pdbx_synchrotron_site       Diamond 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       7OAQ 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.55 
_reflns.d_resolution_low                               53 
_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                                     93033 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                26.8 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          16.9 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                0.02 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.55 
_reflns_shell.d_res_low                                     1.59 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.6 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             6677 
_reflns_shell.percent_possible_all                          93 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_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                               27.6 
_reflns_shell.pdbx_Rsym_value                               ? 
_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                               0.59 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.6 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_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]                            -1.211 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -1.211 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            2.422 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               36.162 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.974 
_refine.correlation_coeff_Fo_to_Fc_free          0.966 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 7OAQ 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.550 
_refine.ls_d_res_low                             52.984 
_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                     92354 
_refine.ls_number_reflns_R_free                  4722 
_refine.ls_number_reflns_R_work                  87632 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.270 
_refine.ls_percent_reflns_R_free                 5.113 
_refine.ls_R_factor_all                          0.156 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1783 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1550 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      7oap 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.068 
_refine.pdbx_overall_ESU_R_Free                  0.060 
_refine.pdbx_solvent_vdw_probe_radii             1.100 
_refine.pdbx_solvent_ion_probe_radii             0.700 
_refine.pdbx_solvent_shrinkage_radii             0.700 
_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                             3.859 
_refine.overall_SU_ML                            0.056 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        3513 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         28 
_refine_hist.number_atoms_solvent             375 
_refine_hist.number_atoms_total               3916 
_refine_hist.d_res_high                       1.550 
_refine_hist.d_res_low                        52.984 
# 
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  0.013  3734 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.003  0.018  3333 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.398  1.655  5110 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.340  1.581  7683 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.728  5.000  481  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 29.114 21.667 198  ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.225 15.000 567  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.157 15.000 24   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.069  0.200  478  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.007  0.020  4366 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  964  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.210  0.200  557  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.183  0.200  2999 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.173  0.200  1765 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.076  0.200  1755 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.174  0.200  255  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.222  0.200  9    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.142  0.200  48   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.147  0.200  22   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.317  1.126  1825 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.276  1.125  1824 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.774  1.701  2285 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.776  1.703  2286 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.102  1.395  1909 ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.022  1.389  1906 ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.642  2.007  2807 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.642  2.009  2808 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.954  15.192 4110 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.960  15.207 4111 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 8.608  3.000  7067 ? r_rigid_bond_restr             ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
'X-RAY DIFFRACTION' 1.550 1.590  . . 313 6366 98.3942  . . . 0.396 . 0.389 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 1.590 1.634  . . 333 6173 98.4564  . . . 0.354 . 0.339 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 1.634 1.681  . . 293 6092 98.6557  . . . 0.306 . 0.306 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 1.681 1.733  . . 294 5844 98.7770  . . . 0.270 . 0.260 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 1.733 1.790  . . 331 5681 98.8978  . . . 0.254 . 0.217 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 1.790 1.852  . . 290 5525 99.1306  . . . 0.175 . 0.170 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 1.852 1.922  . . 282 5371 99.2277  . . . 0.177 . 0.143 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 1.922 2.001  . . 265 5156 99.3585  . . . 0.158 . 0.125 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.001 2.090  . . 253 4988 99.2802  . . . 0.152 . 0.119 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.090 2.192  . . 264 4733 99.6014  . . . 0.156 . 0.116 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.192 2.310  . . 267 4523 99.5842  . . . 0.155 . 0.110 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.310 2.450  . . 216 4336 99.6934  . . . 0.162 . 0.114 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.450 2.619  . . 222 4041 99.8829  . . . 0.152 . 0.117 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.619 2.829  . . 185 3824 99.8506  . . . 0.167 . 0.127 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.829 3.098  . . 231 3462 100.0000 . . . 0.167 . 0.145 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 3.098 3.463  . . 202 3166 99.9703  . . . 0.170 . 0.154 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 3.463 3.998  . . 156 2840 100.0000 . . . 0.154 . 0.152 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 3.998 4.893  . . 124 2439 100.0000 . . . 0.148 . 0.129 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 4.893 6.905  . . 122 1909 100.0000 . . . 0.201 . 0.186 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 6.905 52.984 . . 79  1131 99.7527  . . . 0.230 . 0.227 . . . . . . . . . . . 
# 
_struct.entry_id                     7OAQ 
_struct.title                        'Nanobody H3 AND C1 bound to RBD with Kent mutation' 
_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        7OAQ 
_struct_keywords.text            'RBD, nanobody, high affinity, ANTIVIRAL PROTEIN' 
_struct_keywords.pdbx_keywords   'ANTIVIRAL PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
F N N 6 ? 
G N N 7 ? 
H N N 7 ? 
I N N 7 ? 
# 
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 ASP A 62  ? LYS A 65  ? ASP AAA 62  LYS AAA 65  5 ? 4 
HELX_P HELX_P2  AA2 LYS A 87  ? THR A 91  ? LYS AAA 87  THR AAA 91  5 ? 5 
HELX_P HELX_P3  AA3 TRP A 107 ? TYR A 111 ? TRP AAA 107 TYR AAA 111 5 ? 5 
HELX_P HELX_P4  AA4 PHE B 9   ? ASN B 14  ? PHE EEE 338 ASN EEE 343 1 ? 6 
HELX_P HELX_P5  AA5 SER B 20  ? TRP B 24  ? SER EEE 349 TRP EEE 353 5 ? 5 
HELX_P HELX_P6  AA6 ASP B 35  ? ASN B 41  ? ASP EEE 364 ASN EEE 370 1 ? 7 
HELX_P HELX_P7  AA7 SER B 54  ? ASN B 59  ? SER EEE 383 ASN EEE 388 1 ? 6 
HELX_P HELX_P8  AA8 ASP B 76  ? ILE B 81  ? ASP EEE 405 ILE EEE 410 5 ? 6 
HELX_P HELX_P9  AA9 GLY B 87  ? ASN B 93  ? GLY EEE 416 ASN EEE 422 1 ? 7 
HELX_P HELX_P10 AB1 SER B 109 ? SER B 114 ? SER EEE 438 SER EEE 443 1 ? 6 
HELX_P HELX_P11 AB2 GLY B 173 ? TYR B 176 ? GLY EEE 502 TYR EEE 505 5 ? 4 
HELX_P HELX_P12 AB3 PRO B 198 ? SER B 201 ? PRO EEE 527 SER EEE 530 5 ? 4 
HELX_P HELX_P13 AB4 ARG C 29  ? TYR C 34  ? ARG FFF 27  TYR FFF 32  1 ? 6 
HELX_P HELX_P14 AB5 LYS C 89  ? THR C 93  ? LYS FFF 87  THR FFF 91  5 ? 5 
HELX_P HELX_P15 AB6 TYR C 107 ? TYR C 111 ? TYR FFF 105 TYR FFF 109 5 ? 5 
HELX_P HELX_P16 AB7 THR C 112 ? PHE C 116 ? THR FFF 110 PHE FFF 114 5 ? 5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ?   ? A CYS 22  SG  ? ? ? 1_555 A CYS 96  SG ? ? AAA CYS 22  AAA CYS 96  1_555 ? ? ? ? ? ? ? 2.081 ? ? 
disulf2 disulf ?   ? B CYS 7   SG  ? ? ? 1_555 B CYS 32  SG ? ? EEE CYS 336 EEE CYS 361 1_555 ? ? ? ? ? ? ? 2.057 ? ? 
disulf3 disulf ?   ? B CYS 50  SG  ? ? ? 1_555 B CYS 103 SG ? ? EEE CYS 379 EEE CYS 432 1_555 ? ? ? ? ? ? ? 2.106 ? ? 
disulf4 disulf ?   ? B CYS 62  SG  ? ? ? 1_555 B CYS 196 SG ? ? EEE CYS 391 EEE CYS 525 1_555 ? ? ? ? ? ? ? 2.072 ? ? 
disulf5 disulf ?   ? B CYS 151 SG  ? ? ? 1_555 B CYS 159 SG ? ? EEE CYS 480 EEE CYS 488 1_555 ? ? ? ? ? ? ? 2.077 ? ? 
disulf6 disulf ?   ? C CYS 24  SG  ? ? ? 1_555 C CYS 98  SG ? ? FFF CYS 22  FFF CYS 96  1_555 ? ? ? ? ? ? ? 2.142 ? ? 
covale1 covale one ? B ASN 14  ND2 ? ? ? 1_555 D NAG .   C1 ? ? EEE ASN 343 EEE NAG 601 1_555 ? ? ? ? ? ? ? 1.451 ? 
N-Glycosylation 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 4 ? 
AA2 ? 6 ? 
AA3 ? 4 ? 
AA4 ? 6 ? 
AA5 ? 3 ? 
AA6 ? 2 ? 
AA7 ? 2 ? 
AA8 ? 4 ? 
AA9 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA2 1 2 ? parallel      
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA3 1 2 ? parallel      
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
AA4 4 5 ? anti-parallel 
AA4 5 6 ? anti-parallel 
AA5 1 2 ? parallel      
AA5 2 3 ? anti-parallel 
AA6 1 2 ? anti-parallel 
AA7 1 2 ? anti-parallel 
AA8 1 2 ? anti-parallel 
AA8 2 3 ? anti-parallel 
AA8 3 4 ? anti-parallel 
AA9 1 2 ? parallel      
AA9 2 3 ? anti-parallel 
AA9 3 4 ? anti-parallel 
AA9 4 5 ? anti-parallel 
AA9 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 GLN A 3   ? SER A 7   ? GLN AAA 3   SER AAA 7   
AA1 2 LEU A 18  ? SER A 25  ? LEU AAA 18  SER AAA 25  
AA1 3 THR A 78  ? MET A 83  ? THR AAA 78  MET AAA 83  
AA1 4 PHE A 68  ? HIS A 73  ? PHE AAA 68  HIS AAA 73  
AA2 1 GLY A 10  ? VAL A 12  ? GLY AAA 10  VAL AAA 12  
AA2 2 THR A 118 ? VAL A 122 ? THR AAA 118 VAL AAA 122 
AA2 3 ALA A 92  ? GLY A 99  ? ALA AAA 92  GLY AAA 99  
AA2 4 SER A 33  ? GLN A 39  ? SER AAA 33  GLN AAA 39  
AA2 5 GLU A 46  ? SER A 52  ? GLU AAA 46  SER AAA 52  
AA2 6 THR A 57  ? TYR A 60  ? THR AAA 57  TYR AAA 60  
AA3 1 GLY A 10  ? VAL A 12  ? GLY AAA 10  VAL AAA 12  
AA3 2 THR A 118 ? VAL A 122 ? THR AAA 118 VAL AAA 122 
AA3 3 ALA A 92  ? GLY A 99  ? ALA AAA 92  GLY AAA 99  
AA3 4 TYR A 113 ? TRP A 114 ? TYR AAA 113 TRP AAA 114 
AA4 1 ALA A 102 ? ASP A 105 ? ALA AAA 102 ASP AAA 105 
AA4 2 THR B 47  ? TYR B 51  ? THR EEE 376 TYR EEE 380 
AA4 3 GLY B 102 ? ASN B 108 ? GLY EEE 431 ASN EEE 437 
AA4 4 PRO B 178 ? GLU B 187 ? PRO EEE 507 GLU EEE 516 
AA4 5 ASN B 65  ? ARG B 74  ? ASN EEE 394 ARG EEE 403 
AA4 6 ASN B 25  ? ILE B 29  ? ASN EEE 354 ILE EEE 358 
AA5 1 CYS B 32  ? VAL B 33  ? CYS EEE 361 VAL EEE 362 
AA5 2 VAL B 195 ? CYS B 196 ? VAL EEE 524 CYS EEE 525 
AA5 3 CYS B 62  ? PHE B 63  ? CYS EEE 391 PHE EEE 392 
AA6 1 LEU B 123 ? ARG B 125 ? LEU EEE 452 ARG EEE 454 
AA6 2 LEU B 163 ? SER B 165 ? LEU EEE 492 SER EEE 494 
AA7 1 TYR B 144 ? GLN B 145 ? TYR EEE 473 GLN EEE 474 
AA7 2 CYS B 159 ? TYR B 160 ? CYS EEE 488 TYR EEE 489 
AA8 1 VAL C 7   ? GLY C 10  ? VAL FFF 5   GLY FFF 8   
AA8 2 LEU C 20  ? ALA C 25  ? LEU FFF 18  ALA FFF 23  
AA8 3 THR C 80  ? MET C 85  ? THR FFF 78  MET FFF 83  
AA8 4 PHE C 70  ? ARG C 74  ? PHE FFF 68  ARG FFF 72  
AA9 1 GLY C 12  ? LYS C 15  ? GLY FFF 10  LYS FFF 13  
AA9 2 THR C 123 ? SER C 128 ? THR FFF 121 SER FFF 126 
AA9 3 ALA C 94  ? THR C 101 ? ALA FFF 92  THR FFF 99  
AA9 4 SER C 35  ? GLN C 41  ? SER FFF 33  GLN FFF 39  
AA9 5 GLU C 48  ? MET C 53  ? GLU FFF 46  MET FFF 51  
AA9 6 THR C 60  ? TYR C 62  ? THR FFF 58  TYR FFF 60  
# 
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 VAL A 5   ? N VAL AAA 5   O ALA A 23  ? O ALA AAA 23  
AA1 2 3 N LEU A 18  ? N LEU AAA 18  O MET A 83  ? O MET AAA 83  
AA1 3 4 O GLN A 82  ? O GLN AAA 82  N THR A 69  ? N THR AAA 69  
AA2 1 2 N VAL A 12  ? N VAL AAA 12  O THR A 121 ? O THR AAA 121 
AA2 2 3 O THR A 118 ? O THR AAA 118 N TYR A 94  ? N TYR AAA 94  
AA2 3 4 O TYR A 95  ? O TYR AAA 95  N PHE A 37  ? N PHE AAA 37  
AA2 4 5 N TRP A 36  ? N TRP AAA 36  O VAL A 48  ? O VAL AAA 48  
AA2 5 6 N SER A 52  ? N SER AAA 52  O THR A 57  ? O THR AAA 57  
AA3 1 2 N VAL A 12  ? N VAL AAA 12  O THR A 121 ? O THR AAA 121 
AA3 2 3 O THR A 118 ? O THR AAA 118 N TYR A 94  ? N TYR AAA 94  
AA3 3 4 N ALA A 98  ? N ALA AAA 98  O TYR A 113 ? O TYR AAA 113 
AA4 1 2 N ALA A 102 ? N ALA AAA 102 O CYS B 50  ? O CYS EEE 379 
AA4 2 3 N TYR B 51  ? N TYR EEE 380 O GLY B 102 ? O GLY EEE 431 
AA4 3 4 N CYS B 103 ? N CYS EEE 432 O LEU B 184 ? O LEU EEE 513 
AA4 4 5 O TYR B 179 ? O TYR EEE 508 N ILE B 73  ? N ILE EEE 402 
AA4 5 6 O VAL B 66  ? O VAL EEE 395 N ILE B 29  ? N ILE EEE 358 
AA5 1 2 N CYS B 32  ? N CYS EEE 361 O CYS B 196 ? O CYS EEE 525 
AA5 2 3 O VAL B 195 ? O VAL EEE 524 N PHE B 63  ? N PHE EEE 392 
AA6 1 2 N TYR B 124 ? N TYR EEE 453 O GLN B 164 ? O GLN EEE 493 
AA7 1 2 N TYR B 144 ? N TYR EEE 473 O TYR B 160 ? O TYR EEE 489 
AA8 1 2 N VAL C 7   ? N VAL FFF 5   O ALA C 25  ? O ALA FFF 23  
AA8 2 3 N LEU C 20  ? N LEU FFF 18  O MET C 85  ? O MET FFF 83  
AA8 3 4 O HIS C 84  ? O HIS FFF 82  N THR C 71  ? N THR FFF 69  
AA9 1 2 N GLY C 12  ? N GLY FFF 10  O THR C 126 ? O THR FFF 124 
AA9 2 3 O THR C 123 ? O THR FFF 121 N TYR C 96  ? N TYR FFF 94  
AA9 3 4 O TYR C 97  ? O TYR FFF 95  N PHE C 39  ? N PHE FFF 37  
AA9 4 5 N TRP C 38  ? N TRP FFF 36  O ALA C 51  ? O ALA FFF 49  
AA9 5 6 N GLY C 52  ? N GLY FFF 50  O PHE C 61  ? O PHE FFF 59  
# 
_atom_sites.entry_id                    7OAQ 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.fract_transf_matrix[1][1]   0.009447 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.009447 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   0.000000 
_atom_sites.fract_transf_matrix[3][3]   0.008872 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
CL 11.460 0.010  7.196 1.166  6.255 18.519 1.645 47.778 -9.344  
H  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S  6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.050   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
_atom_site.pdbx_tls_group_id 
ATOM   1    N  N   . GLN A 1 1   ? 33.721  -25.110 7.833   1.000 88.059  0 1   GLN AAA N   1 ? 1  
ATOM   2    C  CA  . GLN A 1 1   ? 34.354  -23.752 7.859   1.000 88.262  0 1   GLN AAA CA  1 ? 1  
ATOM   3    C  C   . GLN A 1 1   ? 33.273  -22.680 8.050   1.000 81.998  0 1   GLN AAA C   1 ? 1  
ATOM   4    O  O   . GLN A 1 1   ? 33.405  -21.900 9.012   1.000 90.147  0 1   GLN AAA O   1 ? 1  
ATOM   5    C  CB  . GLN A 1 1   ? 35.197  -23.522 6.604   1.000 90.547  0 1   GLN AAA CB  1 ? 1  
ATOM   6    C  CG  . GLN A 1 1   ? 36.534  -24.248 6.653   1.000 98.239  0 1   GLN AAA CG  1 ? 1  
ATOM   7    C  CD  . GLN A 1 1   ? 37.067  -24.604 5.286   1.000 101.398 0 1   GLN AAA CD  1 ? 1  
ATOM   8    O  OE1 . GLN A 1 1   ? 36.317  -24.929 4.367   1.000 100.728 0 1   GLN AAA OE1 1 ? 1  
ATOM   9    N  NE2 . GLN A 1 1   ? 38.383  -24.563 5.144   1.000 108.075 0 1   GLN AAA NE2 1 ? 1  
ATOM   10   N  N   . VAL A 1 2   ? 32.240  -22.635 7.201   1.000 74.198  0 2   VAL AAA N   1 ? 1  
ATOM   11   C  CA  . VAL A 1 2   ? 31.072  -21.732 7.438   1.000 67.979  0 2   VAL AAA CA  1 ? 1  
ATOM   12   C  C   . VAL A 1 2   ? 30.315  -22.246 8.663   1.000 67.886  0 2   VAL AAA C   1 ? 1  
ATOM   13   O  O   . VAL A 1 2   ? 29.956  -23.435 8.682   1.000 70.716  0 2   VAL AAA O   1 ? 1  
ATOM   14   C  CB  . VAL A 1 2   ? 30.117  -21.608 6.238   1.000 64.334  0 2   VAL AAA CB  1 ? 1  
ATOM   15   C  CG1 . VAL A 1 2   ? 28.888  -20.790 6.616   1.000 61.094  0 2   VAL AAA CG1 1 ? 1  
ATOM   16   C  CG2 . VAL A 1 2   ? 30.805  -21.013 5.021   1.000 65.345  0 2   VAL AAA CG2 1 ? 1  
ATOM   17   N  N   . GLN A 1 3   ? 30.066  -21.368 9.634   1.000 67.313  0 3   GLN AAA N   1 ? 1  
ATOM   18   C  CA  . GLN A 1 3   ? 29.307  -21.699 10.865  1.000 68.665  0 3   GLN AAA CA  1 ? 1  
ATOM   19   C  C   . GLN A 1 3   ? 28.312  -20.575 11.162  1.000 64.339  0 3   GLN AAA C   1 ? 1  
ATOM   20   O  O   . GLN A 1 3   ? 28.680  -19.395 11.022  1.000 66.142  0 3   GLN AAA O   1 ? 1  
ATOM   21   C  CB  . GLN A 1 3   ? 30.267  -21.921 12.034  1.000 75.194  0 3   GLN AAA CB  1 ? 1  
ATOM   22   C  CG  . GLN A 1 3   ? 29.685  -22.831 13.096  1.000 78.862  0 3   GLN AAA CG  1 ? 1  
ATOM   23   C  CD  . GLN A 1 3   ? 30.517  -22.792 14.349  1.000 84.729  0 3   GLN AAA CD  1 ? 1  
ATOM   24   O  OE1 . GLN A 1 3   ? 31.743  -22.718 14.295  1.000 93.121  0 3   GLN AAA OE1 1 ? 1  
ATOM   25   N  NE2 . GLN A 1 3   ? 29.852  -22.821 15.491  1.000 89.746  0 3   GLN AAA NE2 1 ? 1  
ATOM   26   N  N   . LEU A 1 4   ? 27.081  -20.939 11.508  1.000 62.287  0 4   LEU AAA N   1 ? 1  
ATOM   27   C  CA  . LEU A 1 4   ? 26.040  -19.985 11.956  1.000 59.739  0 4   LEU AAA CA  1 ? 1  
ATOM   28   C  C   . LEU A 1 4   ? 25.780  -20.256 13.438  1.000 63.578  0 4   LEU AAA C   1 ? 1  
ATOM   29   O  O   . LEU A 1 4   ? 25.285  -21.349 13.772  1.000 69.240  0 4   LEU AAA O   1 ? 1  
ATOM   30   C  CB  . LEU A 1 4   ? 24.758  -20.167 11.139  1.000 56.369  0 4   LEU AAA CB  1 ? 1  
ATOM   31   C  CG  . LEU A 1 4   ? 24.830  -19.819 9.650   1.000 53.780  0 4   LEU AAA CG  1 ? 1  
ATOM   32   C  CD1 . LEU A 1 4   ? 23.442  -19.888 9.052   1.000 51.882  0 4   LEU AAA CD1 1 ? 1  
ATOM   33   C  CD2 . LEU A 1 4   ? 25.426  -18.441 9.408   1.000 53.400  0 4   LEU AAA CD2 1 ? 1  
ATOM   34   N  N   . VAL A 1 5   ? 26.140  -19.301 14.286  1.000 64.956  0 5   VAL AAA N   1 ? 1  
ATOM   35   C  CA  . VAL A 1 5   ? 25.919  -19.395 15.753  1.000 67.457  0 5   VAL AAA CA  1 ? 1  
ATOM   36   C  C   . VAL A 1 5   ? 24.674  -18.569 16.086  1.000 67.222  0 5   VAL AAA C   1 ? 1  
ATOM   37   O  O   . VAL A 1 5   ? 24.688  -17.320 15.889  1.000 69.633  0 5   VAL AAA O   1 ? 1  
ATOM   38   C  CB  . VAL A 1 5   ? 27.173  -18.964 16.534  1.000 71.913  0 5   VAL AAA CB  1 ? 1  
ATOM   39   C  CG1 . VAL A 1 5   ? 26.898  -18.810 18.021  1.000 76.546  0 5   VAL AAA CG1 1 ? 1  
ATOM   40   C  CG2 . VAL A 1 5   ? 28.322  -19.933 16.289  1.000 74.651  0 5   VAL AAA CG2 1 ? 1  
ATOM   41   N  N   . GLU A 1 6   ? 23.636  -19.268 16.554  1.000 66.333  0 6   GLU AAA N   1 ? 1  
ATOM   42   C  CA  . GLU A 1 6   ? 22.321  -18.694 16.924  1.000 67.509  0 6   GLU AAA CA  1 ? 1  
ATOM   43   C  C   . GLU A 1 6   ? 22.233  -18.552 18.447  1.000 72.478  0 6   GLU AAA C   1 ? 1  
ATOM   44   O  O   . GLU A 1 6   ? 22.883  -19.350 19.158  1.000 79.084  0 6   GLU AAA O   1 ? 1  
ATOM   45   C  CB  . GLU A 1 6   ? 21.221  -19.609 16.391  1.000 67.372  0 6   GLU AAA CB  1 ? 1  
ATOM   46   C  CG  . GLU A 1 6   ? 20.062  -18.859 15.784  1.000 63.206  0 6   GLU AAA CG  1 ? 1  
ATOM   47   C  CD  . GLU A 1 6   ? 18.954  -19.776 15.320  1.000 58.105  0 6   GLU AAA CD  1 ? 1  
ATOM   48   O  OE1 . GLU A 1 6   ? 19.233  -20.659 14.467  1.000 59.431  0 6   GLU AAA OE1 1 ? 1  
ATOM   49   O  OE2 . GLU A 1 6   ? 17.826  -19.610 15.820  1.000 60.538  0 6   GLU AAA OE2 1 ? 1  
ATOM   50   N  N   . SER A 1 7   ? 21.458  -17.569 18.918  1.000 73.319  0 7   SER AAA N   1 ? 1  
ATOM   51   C  CA  . SER A 1 7   ? 21.095  -17.359 20.344  1.000 75.997  0 7   SER AAA CA  1 ? 1  
ATOM   52   C  C   . SER A 1 7   ? 19.999  -16.291 20.448  1.000 71.700  0 7   SER AAA C   1 ? 1  
ATOM   53   O  O   . SER A 1 7   ? 19.781  -15.576 19.450  1.000 69.999  0 7   SER AAA O   1 ? 1  
ATOM   54   C  CB  . SER A 1 7   ? 22.305  -16.995 21.173  1.000 80.002  0 7   SER AAA CB  1 ? 1  
ATOM   55   O  OG  . SER A 1 7   ? 22.999  -15.886 20.614  1.000 79.310  0 7   SER AAA OG  1 ? 1  
ATOM   56   N  N   . GLY A 1 8   ? 19.340  -16.204 21.612  1.000 73.611  0 8   GLY AAA N   1 ? 1  
ATOM   57   C  CA  . GLY A 1 8   ? 18.432  -15.092 21.971  1.000 72.977  0 8   GLY AAA CA  1 ? 1  
ATOM   58   C  C   . GLY A 1 8   ? 16.999  -15.527 22.300  1.000 75.561  0 8   GLY AAA C   1 ? 1  
ATOM   59   O  O   . GLY A 1 8   ? 16.154  -14.606 22.666  1.000 83.054  0 8   GLY AAA O   1 ? 1  
ATOM   60   N  N   . GLY A 1 9   ? 16.709  -16.848 22.191  1.000 76.175  0 9   GLY AAA N   1 ? 1  
ATOM   61   C  CA  . GLY A 1 9   ? 15.346  -17.378 22.410  1.000 73.519  0 9   GLY AAA CA  1 ? 1  
ATOM   62   C  C   . GLY A 1 9   ? 14.899  -17.352 23.870  1.000 79.916  0 9   GLY AAA C   1 ? 1  
ATOM   63   O  O   . GLY A 1 9   ? 15.747  -17.133 24.784  1.000 90.395  0 9   GLY AAA O   1 ? 1  
ATOM   64   N  N   . GLY A 1 10  ? 13.602  -17.591 24.101  1.000 80.962  0 10  GLY AAA N   1 ? 1  
ATOM   65   C  CA  . GLY A 1 10  ? 13.032  -17.755 25.451  1.000 82.821  0 10  GLY AAA CA  1 ? 1  
ATOM   66   C  C   . GLY A 1 10  ? 11.523  -17.568 25.487  1.000 81.842  0 10  GLY AAA C   1 ? 1  
ATOM   67   O  O   . GLY A 1 10  ? 10.883  -17.663 24.415  1.000 77.470  0 10  GLY AAA O   1 ? 1  
ATOM   68   N  N   . LEU A 1 11  ? 10.992  -17.311 26.692  1.000 85.482  0 11  LEU AAA N   1 ? 1  
ATOM   69   C  CA  A LEU A 1 11  ? 9.538   -17.142 26.970  0.600 87.113  0 11  LEU AAA CA  1 ? 1  
ATOM   70   C  CA  B LEU A 1 11  ? 9.542   -17.148 26.989  0.400 87.476  0 11  LEU AAA CA  1 ? 1  
ATOM   71   C  C   . LEU A 1 11  ? 9.235   -15.662 27.229  1.000 88.530  0 11  LEU AAA C   1 ? 1  
ATOM   72   O  O   . LEU A 1 11  ? 9.962   -15.043 28.048  1.000 92.361  0 11  LEU AAA O   1 ? 1  
ATOM   73   C  CB  A LEU A 1 11  ? 9.145   -17.987 28.189  0.600 92.033  0 11  LEU AAA CB  1 ? 1  
ATOM   74   C  CB  B LEU A 1 11  ? 9.178   -17.966 28.237  0.400 93.017  0 11  LEU AAA CB  1 ? 1  
ATOM   75   C  CG  A LEU A 1 11  ? 7.710   -17.799 28.684  0.600 94.868  0 11  LEU AAA CG  1 ? 1  
ATOM   76   C  CG  B LEU A 1 11  ? 9.865   -19.324 28.398  0.400 94.439  0 11  LEU AAA CG  1 ? 1  
ATOM   77   C  CD1 A LEU A 1 11  ? 6.713   -18.402 27.704  0.600 90.796  0 11  LEU AAA CD1 1 ? 1  
ATOM   78   C  CD1 B LEU A 1 11  ? 9.485   -19.969 29.723  0.400 99.659  0 11  LEU AAA CD1 1 ? 1  
ATOM   79   C  CD2 A LEU A 1 11  ? 7.525   -18.396 30.071  0.600 100.602 0 11  LEU AAA CD2 1 ? 1  
ATOM   80   C  CD2 B LEU A 1 11  ? 9.526   -20.251 27.245  0.400 91.632  0 11  LEU AAA CD2 1 ? 1  
ATOM   81   N  N   . VAL A 1 12  ? 8.178   -15.142 26.593  1.000 85.274  0 12  VAL AAA N   1 ? 1  
ATOM   82   C  CA  . VAL A 1 12  ? 7.671   -13.748 26.790  1.000 88.000  0 12  VAL AAA CA  1 ? 1  
ATOM   83   C  C   . VAL A 1 12  ? 6.133   -13.781 26.803  1.000 88.651  0 12  VAL AAA C   1 ? 1  
ATOM   84   O  O   . VAL A 1 12  ? 5.562   -14.770 26.296  1.000 88.832  0 12  VAL AAA O   1 ? 1  
ATOM   85   C  CB  . VAL A 1 12  ? 8.241   -12.789 25.720  1.000 84.451  0 12  VAL AAA CB  1 ? 1  
ATOM   86   C  CG1 . VAL A 1 12  ? 7.555   -12.937 24.370  1.000 81.192  0 12  VAL AAA CG1 1 ? 1  
ATOM   87   C  CG2 . VAL A 1 12  ? 8.211   -11.338 26.162  1.000 88.783  0 12  VAL AAA CG2 1 ? 1  
ATOM   88   N  N   . GLN A 1 13  ? 5.492   -12.757 27.381  1.000 91.052  0 13  GLN AAA N   1 ? 1  
ATOM   89   C  CA  . GLN A 1 13  ? 4.018   -12.547 27.315  1.000 92.676  0 13  GLN AAA CA  1 ? 1  
ATOM   90   C  C   . GLN A 1 13  ? 3.645   -11.917 25.974  1.000 89.195  0 13  GLN AAA C   1 ? 1  
ATOM   91   O  O   . GLN A 1 13  ? 4.504   -11.341 25.303  1.000 87.389  0 13  GLN AAA O   1 ? 1  
ATOM   92   C  CB  . GLN A 1 13  ? 3.539   -11.620 28.432  1.000 98.851  0 13  GLN AAA CB  1 ? 1  
ATOM   93   C  CG  . GLN A 1 13  ? 3.841   -12.116 29.835  1.000 102.593 0 13  GLN AAA CG  1 ? 1  
ATOM   94   C  CD  . GLN A 1 13  ? 3.389   -11.079 30.829  1.000 109.072 0 13  GLN AAA CD  1 ? 1  
ATOM   95   O  OE1 . GLN A 1 13  ? 2.231   -11.045 31.231  1.000 115.065 0 13  GLN AAA OE1 1 ? 1  
ATOM   96   N  NE2 . GLN A 1 13  ? 4.297   -10.197 31.209  1.000 111.366 0 13  GLN AAA NE2 1 ? 1  
ATOM   97   N  N   . PRO A 1 14  ? 2.359   -11.996 25.549  1.000 90.243  0 14  PRO AAA N   1 ? 1  
ATOM   98   C  CA  . PRO A 1 14  ? 1.883   -11.265 24.371  1.000 87.827  0 14  PRO AAA CA  1 ? 1  
ATOM   99   C  C   . PRO A 1 14  ? 2.112   -9.750  24.476  1.000 89.353  0 14  PRO AAA C   1 ? 1  
ATOM   100  O  O   . PRO A 1 14  ? 1.841   -9.205  25.526  1.000 93.552  0 14  PRO AAA O   1 ? 1  
ATOM   101  C  CB  . PRO A 1 14  ? 0.376   -11.553 24.337  1.000 90.714  0 14  PRO AAA CB  1 ? 1  
ATOM   102  C  CG  . PRO A 1 14  ? 0.235   -12.866 25.076  1.000 92.452  0 14  PRO AAA CG  1 ? 1  
ATOM   103  C  CD  . PRO A 1 14  ? 1.300   -12.821 26.153  1.000 94.057  0 14  PRO AAA CD  1 ? 1  
ATOM   104  N  N   . GLY A 1 15  ? 2.593   -9.125  23.394  1.000 86.508  0 15  GLY AAA N   1 ? 1  
ATOM   105  C  CA  . GLY A 1 15  ? 2.975   -7.699  23.345  1.000 87.895  0 15  GLY AAA CA  1 ? 1  
ATOM   106  C  C   . GLY A 1 15  ? 4.463   -7.502  23.595  1.000 87.331  0 15  GLY AAA C   1 ? 1  
ATOM   107  O  O   . GLY A 1 15  ? 4.991   -6.447  23.199  1.000 91.238  0 15  GLY AAA O   1 ? 1  
ATOM   108  N  N   . GLY A 1 16  ? 5.119   -8.489  24.216  1.000 87.731  0 16  GLY AAA N   1 ? 1  
ATOM   109  C  CA  . GLY A 1 16  ? 6.537   -8.442  24.620  1.000 87.974  0 16  GLY AAA CA  1 ? 1  
ATOM   110  C  C   . GLY A 1 16  ? 7.491   -8.488  23.436  1.000 84.163  0 16  GLY AAA C   1 ? 1  
ATOM   111  O  O   . GLY A 1 16  ? 7.022   -8.637  22.285  1.000 78.950  0 16  GLY AAA O   1 ? 1  
ATOM   112  N  N   . SER A 1 17  ? 8.789   -8.384  23.736  1.000 84.640  0 17  SER AAA N   1 ? 1  
ATOM   113  C  CA  A SER A 1 17  ? 9.898   -8.248  22.758  0.600 81.393  0 17  SER AAA CA  1 ? 1  
ATOM   114  C  CA  B SER A 1 17  ? 9.887   -8.264  22.742  0.400 81.452  0 17  SER AAA CA  1 ? 1  
ATOM   115  C  C   . SER A 1 17  ? 10.927  -9.365  22.975  1.000 79.187  0 17  SER AAA C   1 ? 1  
ATOM   116  O  O   . SER A 1 17  ? 11.022  -9.859  24.115  1.000 82.639  0 17  SER AAA O   1 ? 1  
ATOM   117  C  CB  A SER A 1 17  ? 10.518  -6.872  22.872  0.600 84.901  0 17  SER AAA CB  1 ? 1  
ATOM   118  C  CB  B SER A 1 17  ? 10.509  -6.888  22.796  0.400 84.392  0 17  SER AAA CB  1 ? 1  
ATOM   119  O  OG  A SER A 1 17  ? 11.932  -6.940  23.042  0.600 87.151  0 17  SER AAA OG  1 ? 1  
ATOM   120  O  OG  B SER A 1 17  ? 11.842  -6.904  22.298  0.400 84.358  0 17  SER AAA OG  1 ? 1  
ATOM   121  N  N   . LEU A 1 18  ? 11.659  -9.721  21.916  1.000 74.565  0 18  LEU AAA N   1 ? 1  
ATOM   122  C  CA  . LEU A 1 18  ? 12.783  -10.697 21.956  1.000 74.548  0 18  LEU AAA CA  1 ? 1  
ATOM   123  C  C   . LEU A 1 18  ? 13.744  -10.360 20.812  1.000 71.692  0 18  LEU AAA C   1 ? 1  
ATOM   124  O  O   . LEU A 1 18  ? 13.255  -9.886  19.755  1.000 67.065  0 18  LEU AAA O   1 ? 1  
ATOM   125  C  CB  . LEU A 1 18  ? 12.228  -12.124 21.846  1.000 77.459  0 18  LEU AAA CB  1 ? 1  
ATOM   126  C  CG  . LEU A 1 18  ? 13.057  -13.242 22.488  1.000 83.002  0 18  LEU AAA CG  1 ? 1  
ATOM   127  C  CD1 . LEU A 1 18  ? 13.548  -12.871 23.886  1.000 88.898  0 18  LEU AAA CD1 1 ? 1  
ATOM   128  C  CD2 . LEU A 1 18  ? 12.250  -14.534 22.547  1.000 84.810  0 18  LEU AAA CD2 1 ? 1  
ATOM   129  N  N   . ARG A 1 19  ? 15.049  -10.545 21.034  1.000 70.353  0 19  ARG AAA N   1 ? 1  
ATOM   130  C  CA  . ARG A 1 19  ? 16.103  -10.255 20.025  1.000 69.332  0 19  ARG AAA CA  1 ? 1  
ATOM   131  C  C   . ARG A 1 19  ? 16.931  -11.513 19.749  1.000 67.024  0 19  ARG AAA C   1 ? 1  
ATOM   132  O  O   . ARG A 1 19  ? 17.722  -11.920 20.630  1.000 70.803  0 19  ARG AAA O   1 ? 1  
ATOM   133  C  CB  . ARG A 1 19  ? 17.002  -9.114  20.504  1.000 74.727  0 19  ARG AAA CB  1 ? 1  
ATOM   134  C  CG  . ARG A 1 19  ? 17.915  -8.587  19.411  1.000 75.636  0 19  ARG AAA CG  1 ? 1  
ATOM   135  C  CD  . ARG A 1 19  ? 19.007  -7.708  19.971  1.000 81.060  0 19  ARG AAA CD  1 ? 1  
ATOM   136  N  NE  . ARG A 1 19  ? 19.460  -6.777  18.951  1.000 79.033  0 19  ARG AAA NE  1 ? 1  
ATOM   137  C  CZ  . ARG A 1 19  ? 20.559  -6.040  19.036  1.000 83.641  0 19  ARG AAA CZ  1 ? 1  
ATOM   138  N  NH1 . ARG A 1 19  ? 21.341  -6.123  20.102  1.000 88.918  0 19  ARG AAA NH1 1 ? 1  
ATOM   139  N  NH2 . ARG A 1 19  ? 20.871  -5.222  18.045  1.000 86.213  0 19  ARG AAA NH2 1 ? 1  
ATOM   140  N  N   . LEU A 1 20  ? 16.773  -12.086 18.550  1.000 62.090  0 20  LEU AAA N   1 ? 1  
ATOM   141  C  CA  . LEU A 1 20  ? 17.566  -13.254 18.092  1.000 60.610  0 20  LEU AAA CA  1 ? 1  
ATOM   142  C  C   . LEU A 1 20  ? 18.817  -12.746 17.368  1.000 59.284  0 20  LEU AAA C   1 ? 1  
ATOM   143  O  O   . LEU A 1 20  ? 18.752  -11.612 16.719  1.000 60.643  0 20  LEU AAA O   1 ? 1  
ATOM   144  C  CB  . LEU A 1 20  ? 16.719  -14.143 17.179  1.000 59.264  0 20  LEU AAA CB  1 ? 1  
ATOM   145  C  CG  . LEU A 1 20  ? 15.329  -14.529 17.688  1.000 62.806  0 20  LEU AAA CG  1 ? 1  
ATOM   146  C  CD1 . LEU A 1 20  ? 14.632  -15.448 16.686  1.000 62.363  0 20  LEU AAA CD1 1 ? 1  
ATOM   147  C  CD2 . LEU A 1 20  ? 15.397  -15.188 19.061  1.000 67.197  0 20  LEU AAA CD2 1 ? 1  
ATOM   148  N  N   . SER A 1 21  ? 19.906  -13.529 17.483  1.000 60.546  0 21  SER AAA N   1 ? 1  
ATOM   149  C  CA  . SER A 1 21  ? 21.216  -13.208 16.864  1.000 61.918  0 21  SER AAA CA  1 ? 1  
ATOM   150  C  C   . SER A 1 21  ? 21.677  -14.409 16.032  1.000 62.255  0 21  SER AAA C   1 ? 1  
ATOM   151  O  O   . SER A 1 21  ? 21.424  -15.580 16.448  1.000 65.630  0 21  SER AAA O   1 ? 1  
ATOM   152  C  CB  . SER A 1 21  ? 22.237  -12.822 17.903  1.000 67.163  0 21  SER AAA CB  1 ? 1  
ATOM   153  O  OG  . SER A 1 21  ? 22.927  -13.972 18.377  1.000 71.560  0 21  SER AAA OG  1 ? 1  
ATOM   154  N  N   . CYS A 1 22  ? 22.303  -14.110 14.890  1.000 62.193  0 22  CYS AAA N   1 ? 1  
ATOM   155  C  CA  . CYS A 1 22  ? 22.953  -15.100 13.995  1.000 63.093  0 22  CYS AAA CA  1 ? 1  
ATOM   156  C  C   . CYS A 1 22  ? 24.372  -14.612 13.687  1.000 60.508  0 22  CYS AAA C   1 ? 1  
ATOM   157  O  O   . CYS A 1 22  ? 24.517  -13.673 12.882  1.000 64.292  0 22  CYS AAA O   1 ? 1  
ATOM   158  C  CB  . CYS A 1 22  ? 22.140  -15.311 12.721  1.000 62.910  0 22  CYS AAA CB  1 ? 1  
ATOM   159  S  SG  . CYS A 1 22  ? 22.763  -16.676 11.706  1.000 62.116  0 22  CYS AAA SG  1 ? 1  
ATOM   160  N  N   . ALA A 1 23  ? 25.369  -15.188 14.360  1.000 67.146  0 23  ALA AAA N   1 ? 1  
ATOM   161  C  CA  . ALA A 1 23  ? 26.800  -14.882 14.149  1.000 68.326  0 23  ALA AAA CA  1 ? 1  
ATOM   162  C  C   . ALA A 1 23  ? 27.320  -15.803 13.045  1.000 66.450  0 23  ALA AAA C   1 ? 1  
ATOM   163  O  O   . ALA A 1 23  ? 27.353  -17.025 13.268  1.000 66.724  0 23  ALA AAA O   1 ? 1  
ATOM   164  C  CB  . ALA A 1 23  ? 27.578  -15.045 15.428  1.000 72.478  0 23  ALA AAA CB  1 ? 1  
ATOM   165  N  N   . ALA A 1 24  ? 27.684  -15.223 11.901  1.000 67.548  0 24  ALA AAA N   1 ? 1  
ATOM   166  C  CA  . ALA A 1 24  ? 28.187  -15.936 10.704  1.000 68.802  0 24  ALA AAA CA  1 ? 1  
ATOM   167  C  C   . ALA A 1 24  ? 29.714  -15.837 10.661  1.000 72.256  0 24  ALA AAA C   1 ? 1  
ATOM   168  O  O   . ALA A 1 24  ? 30.236  -14.716 10.791  1.000 78.780  0 24  ALA AAA O   1 ? 1  
ATOM   169  C  CB  . ALA A 1 24  ? 27.564  -15.352 9.460   1.000 69.758  0 24  ALA AAA CB  1 ? 1  
ATOM   170  N  N   . SER A 1 25  ? 30.393  -16.975 10.501  1.000 72.302  0 25  SER AAA N   1 ? 1  
ATOM   171  C  CA  . SER A 1 25  ? 31.861  -17.073 10.289  1.000 76.449  0 25  SER AAA CA  1 ? 1  
ATOM   172  C  C   . SER A 1 25  ? 32.132  -18.041 9.136   1.000 76.691  0 25  SER AAA C   1 ? 1  
ATOM   173  O  O   . SER A 1 25  ? 31.248  -18.868 8.844   1.000 74.200  0 25  SER AAA O   1 ? 1  
ATOM   174  C  CB  . SER A 1 25  ? 32.571  -17.505 11.549  1.000 81.809  0 25  SER AAA CB  1 ? 1  
ATOM   175  O  OG  . SER A 1 25  ? 32.221  -18.836 11.905  1.000 80.709  0 25  SER AAA OG  1 ? 1  
ATOM   176  N  N   . GLY A 1 26  ? 33.304  -17.926 8.510   1.000 80.148  0 26  GLY AAA N   1 ? 1  
ATOM   177  C  CA  . GLY A 1 26  ? 33.789  -18.865 7.481   1.000 79.987  0 26  GLY AAA CA  1 ? 1  
ATOM   178  C  C   . GLY A 1 26  ? 33.558  -18.361 6.068   1.000 76.618  0 26  GLY AAA C   1 ? 1  
ATOM   179  O  O   . GLY A 1 26  ? 34.045  -19.032 5.138   1.000 79.033  0 26  GLY AAA O   1 ? 1  
ATOM   180  N  N   . PHE A 1 27  ? 32.842  -17.243 5.895   1.000 75.262  0 27  PHE AAA N   1 ? 1  
ATOM   181  C  CA  . PHE A 1 27  ? 32.690  -16.547 4.587   1.000 74.781  0 27  PHE AAA CA  1 ? 1  
ATOM   182  C  C   . PHE A 1 27  ? 33.934  -15.682 4.353   1.000 77.400  0 27  PHE AAA C   1 ? 1  
ATOM   183  O  O   . PHE A 1 27  ? 34.392  -15.005 5.305   1.000 82.152  0 27  PHE AAA O   1 ? 1  
ATOM   184  C  CB  . PHE A 1 27  ? 31.411  -15.705 4.528   1.000 70.099  0 27  PHE AAA CB  1 ? 1  
ATOM   185  C  CG  . PHE A 1 27  ? 30.124  -16.494 4.512   1.000 65.333  0 27  PHE AAA CG  1 ? 1  
ATOM   186  C  CD1 . PHE A 1 27  ? 29.808  -17.317 3.442   1.000 64.874  0 27  PHE AAA CD1 1 ? 1  
ATOM   187  C  CD2 . PHE A 1 27  ? 29.221  -16.405 5.564   1.000 64.292  0 27  PHE AAA CD2 1 ? 1  
ATOM   188  C  CE1 . PHE A 1 27  ? 28.622  -18.039 3.428   1.000 63.046  0 27  PHE AAA CE1 1 ? 1  
ATOM   189  C  CE2 . PHE A 1 27  ? 28.036  -17.127 5.548   1.000 59.236  0 27  PHE AAA CE2 1 ? 1  
ATOM   190  C  CZ  . PHE A 1 27  ? 27.737  -17.941 4.479   1.000 59.687  0 27  PHE AAA CZ  1 ? 1  
ATOM   191  N  N   . THR A 1 28  ? 34.468  -15.720 3.128   1.000 79.985  0 28  THR AAA N   1 ? 1  
ATOM   192  C  CA  . THR A 1 28  ? 35.657  -14.945 2.680   1.000 82.720  0 28  THR AAA CA  1 ? 1  
ATOM   193  C  C   . THR A 1 28  ? 35.253  -13.501 2.350   1.000 77.816  0 28  THR AAA C   1 ? 1  
ATOM   194  O  O   . THR A 1 28  ? 36.167  -12.665 2.200   1.000 80.347  0 28  THR AAA O   1 ? 1  
ATOM   195  C  CB  . THR A 1 28  ? 36.317  -15.587 1.452   1.000 85.175  0 28  THR AAA CB  1 ? 1  
ATOM   196  O  OG1 . THR A 1 28  ? 36.083  -16.995 1.499   1.000 84.254  0 28  THR AAA OG1 1 ? 1  
ATOM   197  C  CG2 . THR A 1 28  ? 37.803  -15.311 1.369   1.000 90.719  0 28  THR AAA CG2 1 ? 1  
ATOM   198  N  N   . ASN A 1 29  ? 33.948  -13.225 2.213   1.000 72.987  0 29  ASN AAA N   1 ? 1  
ATOM   199  C  CA  . ASN A 1 29  ? 33.417  -11.894 1.802   1.000 68.822  0 29  ASN AAA CA  1 ? 1  
ATOM   200  C  C   . ASN A 1 29  ? 31.954  -11.747 2.251   1.000 63.348  0 29  ASN AAA C   1 ? 1  
ATOM   201  O  O   . ASN A 1 29  ? 31.403  -12.715 2.815   1.000 65.234  0 29  ASN AAA O   1 ? 1  
ATOM   202  C  CB  . ASN A 1 29  ? 33.568  -11.692 0.290   1.000 67.803  0 29  ASN AAA CB  1 ? 1  
ATOM   203  C  CG  . ASN A 1 29  ? 32.912  -12.792 -0.518  1.000 65.954  0 29  ASN AAA CG  1 ? 1  
ATOM   204  O  OD1 . ASN A 1 29  ? 31.792  -13.199 -0.222  1.000 64.715  0 29  ASN AAA OD1 1 ? 1  
ATOM   205  N  ND2 . ASN A 1 29  ? 33.592  -13.276 -1.544  1.000 67.443  0 29  ASN AAA ND2 1 ? 1  
ATOM   206  N  N   . ASP A 1 30  ? 31.356  -10.580 1.979   1.000 61.402  0 30  ASP AAA N   1 ? 1  
ATOM   207  C  CA  . ASP A 1 30  ? 29.956  -10.212 2.326   1.000 57.311  0 30  ASP AAA CA  1 ? 1  
ATOM   208  C  C   . ASP A 1 30  ? 28.954  -10.754 1.287   1.000 53.987  0 30  ASP AAA C   1 ? 1  
ATOM   209  O  O   . ASP A 1 30  ? 27.754  -10.421 1.419   1.000 54.544  0 30  ASP AAA O   1 ? 1  
ATOM   210  C  CB  . ASP A 1 30  ? 29.813  -8.689  2.445   1.000 60.338  0 30  ASP AAA CB  1 ? 1  
ATOM   211  C  CG  . ASP A 1 30  ? 30.595  -8.073  3.594   1.000 67.161  0 30  ASP AAA CG  1 ? 1  
ATOM   212  O  OD1 . ASP A 1 30  ? 30.653  -8.704  4.675   1.000 76.137  0 30  ASP AAA OD1 1 ? 1  
ATOM   213  O  OD2 . ASP A 1 30  ? 31.136  -6.962  3.406   1.000 75.794  0 30  ASP AAA OD2 1 ? 1  
ATOM   214  N  N   . PHE A 1 31  ? 29.376  -11.553 0.295   1.000 51.178  0 31  PHE AAA N   1 ? 1  
ATOM   215  C  CA  . PHE A 1 31  ? 28.454  -12.029 -0.777  1.000 50.677  0 31  PHE AAA CA  1 ? 1  
ATOM   216  C  C   . PHE A 1 31  ? 27.754  -13.322 -0.331  1.000 49.635  0 31  PHE AAA C   1 ? 1  
ATOM   217  O  O   . PHE A 1 31  ? 28.036  -14.444 -0.801  1.000 51.084  0 31  PHE AAA O   1 ? 1  
ATOM   218  C  CB  . PHE A 1 31  ? 29.137  -12.175 -2.134  1.000 51.874  0 31  PHE AAA CB  1 ? 1  
ATOM   219  C  CG  . PHE A 1 31  ? 28.127  -12.228 -3.256  1.000 52.002  0 31  PHE AAA CG  1 ? 1  
ATOM   220  C  CD1 . PHE A 1 31  ? 27.600  -11.057 -3.782  1.000 51.075  0 31  PHE AAA CD1 1 ? 1  
ATOM   221  C  CD2 . PHE A 1 31  ? 27.635  -13.443 -3.717  1.000 48.715  0 31  PHE AAA CD2 1 ? 1  
ATOM   222  C  CE1 . PHE A 1 31  ? 26.647  -11.103 -4.790  1.000 48.913  0 31  PHE AAA CE1 1 ? 1  
ATOM   223  C  CE2 . PHE A 1 31  ? 26.687  -13.487 -4.731  1.000 46.821  0 31  PHE AAA CE2 1 ? 1  
ATOM   224  C  CZ  . PHE A 1 31  ? 26.188  -12.317 -5.256  1.000 47.169  0 31  PHE AAA CZ  1 ? 1  
ATOM   225  N  N   . TYR A 1 32  ? 26.817  -13.137 0.584   1.000 47.753  0 32  TYR AAA N   1 ? 1  
ATOM   226  C  CA  . TYR A 1 32  ? 25.940  -14.189 1.136   1.000 46.088  0 32  TYR AAA CA  1 ? 1  
ATOM   227  C  C   . TYR A 1 32  ? 24.688  -13.469 1.625   1.000 43.722  0 32  TYR AAA C   1 ? 1  
ATOM   228  O  O   . TYR A 1 32  ? 24.660  -12.223 1.651   1.000 43.509  0 32  TYR AAA O   1 ? 1  
ATOM   229  C  CB  . TYR A 1 32  ? 26.670  -15.004 2.212   1.000 48.590  0 32  TYR AAA CB  1 ? 1  
ATOM   230  C  CG  . TYR A 1 32  ? 27.030  -14.249 3.470   1.000 51.969  0 32  TYR AAA CG  1 ? 1  
ATOM   231  C  CD1 . TYR A 1 32  ? 28.233  -13.564 3.589   1.000 54.716  0 32  TYR AAA CD1 1 ? 1  
ATOM   232  C  CD2 . TYR A 1 32  ? 26.164  -14.226 4.551   1.000 51.710  0 32  TYR AAA CD2 1 ? 1  
ATOM   233  C  CE1 . TYR A 1 32  ? 28.573  -12.886 4.756   1.000 56.447  0 32  TYR AAA CE1 1 ? 1  
ATOM   234  C  CE2 . TYR A 1 32  ? 26.488  -13.554 5.724   1.000 53.297  0 32  TYR AAA CE2 1 ? 1  
ATOM   235  C  CZ  . TYR A 1 32  ? 27.688  -12.874 5.820   1.000 56.433  0 32  TYR AAA CZ  1 ? 1  
ATOM   236  O  OH  . TYR A 1 32  ? 27.980  -12.220 6.984   1.000 60.633  0 32  TYR AAA OH  1 ? 1  
ATOM   237  N  N   . SER A 1 33  ? 23.665  -14.242 1.951   1.000 40.896  0 33  SER AAA N   1 ? 1  
ATOM   238  C  CA  . SER A 1 33  ? 22.353  -13.725 2.392   1.000 38.610  0 33  SER AAA CA  1 ? 1  
ATOM   239  C  C   . SER A 1 33  ? 21.882  -14.596 3.542   1.000 39.214  0 33  SER AAA C   1 ? 1  
ATOM   240  O  O   . SER A 1 33  ? 22.245  -15.799 3.572   1.000 41.011  0 33  SER AAA O   1 ? 1  
ATOM   241  C  CB  . SER A 1 33  ? 21.372  -13.692 1.244   1.000 37.670  0 33  SER AAA CB  1 ? 1  
ATOM   242  O  OG  . SER A 1 33  ? 21.767  -12.690 0.314   1.000 37.613  0 33  SER AAA OG  1 ? 1  
ATOM   243  N  N   . ILE A 1 34  ? 21.175  -13.979 4.480   1.000 39.691  0 34  ILE AAA N   1 ? 1  
ATOM   244  C  CA  . ILE A 1 34  ? 20.634  -14.674 5.679   1.000 38.933  0 34  ILE AAA CA  1 ? 1  
ATOM   245  C  C   . ILE A 1 34  ? 19.114  -14.740 5.551   1.000 36.913  0 34  ILE AAA C   1 ? 1  
ATOM   246  O  O   . ILE A 1 34  ? 18.493  -13.768 5.056   1.000 40.220  0 34  ILE AAA O   1 ? 1  
ATOM   247  C  CB  . ILE A 1 34  ? 21.075  -13.923 6.955   1.000 42.863  0 34  ILE AAA CB  1 ? 1  
ATOM   248  C  CG1 . ILE A 1 34  ? 22.597  -13.920 7.122   1.000 44.850  0 34  ILE AAA CG1 1 ? 1  
ATOM   249  C  CG2 . ILE A 1 34  ? 20.376  -14.471 8.188   1.000 43.260  0 34  ILE AAA CG2 1 ? 1  
ATOM   250  C  CD1 . ILE A 1 34  ? 23.217  -15.290 7.302   1.000 46.128  0 34  ILE AAA CD1 1 ? 1  
ATOM   251  N  N   . ALA A 1 35  ? 18.540  -15.822 6.062   1.000 38.229  0 35  ALA AAA N   1 ? 1  
ATOM   252  C  CA  . ALA A 1 35  ? 17.083  -15.987 6.218   1.000 39.451  0 35  ALA AAA CA  1 ? 1  
ATOM   253  C  C   . ALA A 1 35  ? 16.804  -16.402 7.657   1.000 41.337  0 35  ALA AAA C   1 ? 1  
ATOM   254  O  O   . ALA A 1 35  ? 17.625  -17.140 8.237   1.000 47.361  0 35  ALA AAA O   1 ? 1  
ATOM   255  C  CB  . ALA A 1 35  ? 16.558  -17.029 5.272   1.000 39.938  0 35  ALA AAA CB  1 ? 1  
ATOM   256  N  N   . TRP A 1 36  ? 15.663  -15.962 8.167   1.000 41.624  0 36  TRP AAA N   1 ? 1  
ATOM   257  C  CA  . TRP A 1 36  ? 15.056  -16.531 9.391   1.000 43.875  0 36  TRP AAA CA  1 ? 1  
ATOM   258  C  C   . TRP A 1 36  ? 13.852  -17.378 8.989   1.000 45.137  0 36  TRP AAA C   1 ? 1  
ATOM   259  O  O   . TRP A 1 36  ? 12.865  -16.800 8.381   1.000 44.122  0 36  TRP AAA O   1 ? 1  
ATOM   260  C  CB  . TRP A 1 36  ? 14.692  -15.439 10.400  1.000 45.599  0 36  TRP AAA CB  1 ? 1  
ATOM   261  C  CG  . TRP A 1 36  ? 15.892  -14.772 10.998  1.000 47.938  0 36  TRP AAA CG  1 ? 1  
ATOM   262  C  CD1 . TRP A 1 36  ? 16.502  -13.640 10.543  1.000 49.388  0 36  TRP AAA CD1 1 ? 1  
ATOM   263  C  CD2 . TRP A 1 36  ? 16.649  -15.205 12.142  1.000 51.468  0 36  TRP AAA CD2 1 ? 1  
ATOM   264  N  NE1 . TRP A 1 36  ? 17.574  -13.326 11.331  1.000 50.181  0 36  TRP AAA NE1 1 ? 1  
ATOM   265  C  CE2 . TRP A 1 36  ? 17.692  -14.267 12.320  1.000 51.431  0 36  TRP AAA CE2 1 ? 1  
ATOM   266  C  CE3 . TRP A 1 36  ? 16.539  -16.272 13.047  1.000 53.579  0 36  TRP AAA CE3 1 ? 1  
ATOM   267  C  CZ2 . TRP A 1 36  ? 18.616  -14.367 13.361  1.000 55.859  0 36  TRP AAA CZ2 1 ? 1  
ATOM   268  C  CZ3 . TRP A 1 36  ? 17.454  -16.368 14.077  1.000 54.988  0 36  TRP AAA CZ3 1 ? 1  
ATOM   269  C  CH2 . TRP A 1 36  ? 18.476  -15.428 14.231  1.000 57.243  0 36  TRP AAA CH2 1 ? 1  
ATOM   270  N  N   . PHE A 1 37  ? 13.943  -18.680 9.321   1.000 45.858  0 37  PHE AAA N   1 ? 1  
ATOM   271  C  CA  . PHE A 1 37  ? 12.821  -19.640 9.232   1.000 45.152  0 37  PHE AAA CA  1 ? 1  
ATOM   272  C  C   . PHE A 1 37  ? 12.319  -19.975 10.635  1.000 45.978  0 37  PHE AAA C   1 ? 1  
ATOM   273  O  O   . PHE A 1 37  ? 13.152  -20.115 11.553  1.000 53.577  0 37  PHE AAA O   1 ? 1  
ATOM   274  C  CB  . PHE A 1 37  ? 13.265  -20.927 8.548   1.000 45.451  0 37  PHE AAA CB  1 ? 1  
ATOM   275  C  CG  . PHE A 1 37  ? 13.476  -20.746 7.063   1.000 43.177  0 37  PHE AAA CG  1 ? 1  
ATOM   276  C  CD1 . PHE A 1 37  ? 14.670  -20.245 6.582   1.000 40.577  0 37  PHE AAA CD1 1 ? 1  
ATOM   277  C  CD2 . PHE A 1 37  ? 12.467  -21.052 6.170   1.000 42.563  0 37  PHE AAA CD2 1 ? 1  
ATOM   278  C  CE1 . PHE A 1 37  ? 14.861  -20.066 5.217   1.000 39.360  0 37  PHE AAA CE1 1 ? 1  
ATOM   279  C  CE2 . PHE A 1 37  ? 12.654  -20.867 4.801   1.000 39.593  0 37  PHE AAA CE2 1 ? 1  
ATOM   280  C  CZ  . PHE A 1 37  ? 13.850  -20.381 4.336   1.000 39.249  0 37  PHE AAA CZ  1 ? 1  
ATOM   281  N  N   . ARG A 1 38  ? 11.004  -20.103 10.765  1.000 43.612  0 38  ARG AAA N   1 ? 1  
ATOM   282  C  CA  . ARG A 1 38  ? 10.374  -20.552 12.030  1.000 47.140  0 38  ARG AAA CA  1 ? 1  
ATOM   283  C  C   . ARG A 1 38  ? 9.566   -21.816 11.750  1.000 48.344  0 38  ARG AAA C   1 ? 1  
ATOM   284  O  O   . ARG A 1 38  ? 8.972   -21.931 10.654  1.000 51.350  0 38  ARG AAA O   1 ? 1  
ATOM   285  C  CB  . ARG A 1 38  ? 9.567   -19.423 12.678  1.000 48.809  0 38  ARG AAA CB  1 ? 1  
ATOM   286  C  CG  . ARG A 1 38  ? 8.233   -19.110 12.026  1.000 49.985  0 38  ARG AAA CG  1 ? 1  
ATOM   287  C  CD  . ARG A 1 38  ? 7.624   -17.904 12.711  1.000 52.032  0 38  ARG AAA CD  1 ? 1  
ATOM   288  N  NE  . ARG A 1 38  ? 6.387   -17.457 12.089  1.000 54.922  0 38  ARG AAA NE  1 ? 1  
ATOM   289  C  CZ  . ARG A 1 38  ? 5.722   -16.358 12.430  1.000 54.536  0 38  ARG AAA CZ  1 ? 1  
ATOM   290  N  NH1 . ARG A 1 38  ? 6.174   -15.573 13.397  1.000 56.903  0 38  ARG AAA NH1 1 ? 1  
ATOM   291  N  NH2 . ARG A 1 38  ? 4.605   -16.047 11.796  1.000 57.653  0 38  ARG AAA NH2 1 ? 1  
ATOM   292  N  N   . GLN A 1 39  ? 9.559   -22.728 12.722  1.000 52.535  0 39  GLN AAA N   1 ? 1  
ATOM   293  C  CA  . GLN A 1 39  ? 8.922   -24.061 12.614  1.000 54.964  0 39  GLN AAA CA  1 ? 1  
ATOM   294  C  C   . GLN A 1 39  ? 8.026   -24.250 13.838  1.000 59.239  0 39  GLN AAA C   1 ? 1  
ATOM   295  O  O   . GLN A 1 39  ? 8.558   -24.624 14.915  1.000 62.520  0 39  GLN AAA O   1 ? 1  
ATOM   296  C  CB  . GLN A 1 39  ? 9.999   -25.138 12.492  1.000 57.674  0 39  GLN AAA CB  1 ? 1  
ATOM   297  C  CG  . GLN A 1 39  ? 9.460   -26.506 12.109  1.000 61.162  0 39  GLN AAA CG  1 ? 1  
ATOM   298  C  CD  . GLN A 1 39  ? 10.537  -27.549 12.263  1.000 67.116  0 39  GLN AAA CD  1 ? 1  
ATOM   299  O  OE1 . GLN A 1 39  ? 11.059  -28.076 11.289  1.000 72.375  0 39  GLN AAA OE1 1 ? 1  
ATOM   300  N  NE2 . GLN A 1 39  ? 10.899  -27.829 13.507  1.000 74.358  0 39  GLN AAA NE2 1 ? 1  
ATOM   301  N  N   . ALA A 1 40  ? 6.736   -23.934 13.679  1.000 60.477  0 40  ALA AAA N   1 ? 1  
ATOM   302  C  CA  . ALA A 1 40  ? 5.684   -24.065 14.715  1.000 64.627  0 40  ALA AAA CA  1 ? 1  
ATOM   303  C  C   . ALA A 1 40  ? 5.232   -25.521 14.756  1.000 68.547  0 40  ALA AAA C   1 ? 1  
ATOM   304  O  O   . ALA A 1 40  ? 5.403   -26.240 13.772  1.000 70.317  0 40  ALA AAA O   1 ? 1  
ATOM   305  C  CB  . ALA A 1 40  ? 4.542   -23.119 14.417  1.000 65.728  0 40  ALA AAA CB  1 ? 1  
ATOM   306  N  N   . PRO A 1 41  ? 4.664   -26.000 15.886  1.000 76.169  0 41  PRO AAA N   1 ? 1  
ATOM   307  C  CA  . PRO A 1 41  ? 4.351   -27.421 16.067  1.000 81.222  0 41  PRO AAA CA  1 ? 1  
ATOM   308  C  C   . PRO A 1 41  ? 3.595   -28.077 14.900  1.000 79.007  0 41  PRO AAA C   1 ? 1  
ATOM   309  O  O   . PRO A 1 41  ? 2.572   -27.555 14.492  1.000 80.585  0 41  PRO AAA O   1 ? 1  
ATOM   310  C  CB  . PRO A 1 41  ? 3.480   -27.465 17.341  1.000 87.104  0 41  PRO AAA CB  1 ? 1  
ATOM   311  C  CG  . PRO A 1 41  ? 3.170   -26.012 17.679  1.000 86.232  0 41  PRO AAA CG  1 ? 1  
ATOM   312  C  CD  . PRO A 1 41  ? 4.300   -25.207 17.072  1.000 81.092  0 41  PRO AAA CD  1 ? 1  
ATOM   313  N  N   . GLY A 1 42  ? 4.123   -29.203 14.406  1.000 78.736  0 42  GLY AAA N   1 ? 1  
ATOM   314  C  CA  . GLY A 1 42  ? 3.539   -30.014 13.319  1.000 78.581  0 42  GLY AAA CA  1 ? 1  
ATOM   315  C  C   . GLY A 1 42  ? 3.510   -29.296 11.974  1.000 74.604  0 42  GLY AAA C   1 ? 1  
ATOM   316  O  O   . GLY A 1 42  ? 2.781   -29.769 11.087  1.000 82.219  0 42  GLY AAA O   1 ? 1  
ATOM   317  N  N   . LYS A 1 43  ? 4.274   -28.215 11.798  1.000 71.233  0 43  LYS AAA N   1 ? 1  
ATOM   318  C  CA  . LYS A 1 43  ? 4.344   -27.465 10.509  1.000 68.769  0 43  LYS AAA CA  1 ? 1  
ATOM   319  C  C   . LYS A 1 43  ? 5.746   -27.558 9.896   1.000 65.558  0 43  LYS AAA C   1 ? 1  
ATOM   320  O  O   . LYS A 1 43  ? 6.693   -27.965 10.592  1.000 68.854  0 43  LYS AAA O   1 ? 1  
ATOM   321  C  CB  . LYS A 1 43  ? 3.991   -25.988 10.701  1.000 68.990  0 43  LYS AAA CB  1 ? 1  
ATOM   322  C  CG  . LYS A 1 43  ? 2.536   -25.699 11.037  1.000 76.242  0 43  LYS AAA CG  1 ? 1  
ATOM   323  C  CD  . LYS A 1 43  ? 2.264   -24.219 11.134  1.000 81.358  0 43  LYS AAA CD  1 ? 1  
ATOM   324  C  CE  . LYS A 1 43  ? 0.860   -23.896 11.592  1.000 90.395  0 43  LYS AAA CE  1 ? 1  
ATOM   325  N  NZ  . LYS A 1 43  ? 0.703   -22.445 11.847  1.000 98.606  0 43  LYS AAA NZ  1 ? 1  
ATOM   326  N  N   . GLU A 1 44  ? 5.863   -27.157 8.631   1.000 63.331  0 44  GLU AAA N   1 ? 1  
ATOM   327  C  CA  . GLU A 1 44  ? 7.154   -27.016 7.909   1.000 62.814  0 44  GLU AAA CA  1 ? 1  
ATOM   328  C  C   . GLU A 1 44  ? 7.846   -25.744 8.406   1.000 57.867  0 44  GLU AAA C   1 ? 1  
ATOM   329  O  O   . GLU A 1 44  ? 7.142   -24.880 8.970   1.000 61.093  0 44  GLU AAA O   1 ? 1  
ATOM   330  C  CB  . GLU A 1 44  ? 6.919   -26.936 6.398   1.000 63.806  0 44  GLU AAA CB  1 ? 1  
ATOM   331  C  CG  . GLU A 1 44  ? 6.206   -28.149 5.813   1.000 70.323  0 44  GLU AAA CG  1 ? 1  
ATOM   332  C  CD  . GLU A 1 44  ? 7.029   -29.425 5.735   1.000 77.285  0 44  GLU AAA CD  1 ? 1  
ATOM   333  O  OE1 . GLU A 1 44  ? 8.233   -29.381 6.068   1.000 82.163  0 44  GLU AAA OE1 1 ? 1  
ATOM   334  O  OE2 . GLU A 1 44  ? 6.464   -30.463 5.332   1.000 75.800  0 44  GLU AAA OE2 1 ? 1  
ATOM   335  N  N   . ARG A 1 45  ? 9.161   -25.637 8.176   1.000 55.084  0 45  ARG AAA N   1 ? 1  
ATOM   336  C  CA  . ARG A 1 45  ? 9.953   -24.390 8.343   1.000 51.022  0 45  ARG AAA CA  1 ? 1  
ATOM   337  C  C   . ARG A 1 45  ? 9.441   -23.353 7.341   1.000 49.608  0 45  ARG AAA C   1 ? 1  
ATOM   338  O  O   . ARG A 1 45  ? 9.382   -23.698 6.127   1.000 49.924  0 45  ARG AAA O   1 ? 1  
ATOM   339  C  CB  . ARG A 1 45  ? 11.439  -24.640 8.082   1.000 51.557  0 45  ARG AAA CB  1 ? 1  
ATOM   340  C  CG  . ARG A 1 45  ? 12.056  -25.668 9.011   1.000 51.942  0 45  ARG AAA CG  1 ? 1  
ATOM   341  C  CD  . ARG A 1 45  ? 13.557  -25.760 8.863   1.000 52.078  0 45  ARG AAA CD  1 ? 1  
ATOM   342  N  NE  . ARG A 1 45  ? 14.059  -26.793 9.761   1.000 55.697  0 45  ARG AAA NE  1 ? 1  
ATOM   343  C  CZ  . ARG A 1 45  ? 15.340  -27.079 9.962   1.000 57.547  0 45  ARG AAA CZ  1 ? 1  
ATOM   344  N  NH1 . ARG A 1 45  ? 16.282  -26.398 9.331   1.000 58.899  0 45  ARG AAA NH1 1 ? 1  
ATOM   345  N  NH2 . ARG A 1 45  ? 15.677  -28.047 10.797  1.000 61.927  0 45  ARG AAA NH2 1 ? 1  
ATOM   346  N  N   . GLU A 1 46  ? 9.096   -22.152 7.815   1.000 45.056  0 46  GLU AAA N   1 ? 1  
ATOM   347  C  CA  . GLU A 1 46  ? 8.503   -21.065 6.991   1.000 43.502  0 46  GLU AAA CA  1 ? 1  
ATOM   348  C  C   . GLU A 1 46  ? 9.364   -19.809 7.129   1.000 42.059  0 46  GLU AAA C   1 ? 1  
ATOM   349  O  O   . GLU A 1 46  ? 9.709   -19.434 8.257   1.000 43.743  0 46  GLU AAA O   1 ? 1  
ATOM   350  C  CB  . GLU A 1 46  ? 7.049   -20.809 7.384   1.000 47.776  0 46  GLU AAA CB  1 ? 1  
ATOM   351  C  CG  . GLU A 1 46  ? 6.145   -22.003 7.121   1.000 54.338  0 46  GLU AAA CG  1 ? 1  
ATOM   352  C  CD  . GLU A 1 46  ? 4.758   -21.905 7.738   1.000 64.587  0 46  GLU AAA CD  1 ? 1  
ATOM   353  O  OE1 . GLU A 1 46  ? 4.355   -20.778 8.119   1.000 74.614  0 46  GLU AAA OE1 1 ? 1  
ATOM   354  O  OE2 . GLU A 1 46  ? 4.080   -22.958 7.853   1.000 83.124  0 46  GLU AAA OE2 1 ? 1  
ATOM   355  N  N   . GLY A 1 47  ? 9.748   -19.197 6.010   1.000 40.894  0 47  GLY AAA N   1 ? 1  
ATOM   356  C  CA  . GLY A 1 47  ? 10.558  -17.968 6.045   1.000 39.948  0 47  GLY AAA CA  1 ? 1  
ATOM   357  C  C   . GLY A 1 47  ? 9.746   -16.805 6.577   1.000 41.236  0 47  GLY AAA C   1 ? 1  
ATOM   358  O  O   . GLY A 1 47  ? 8.557   -16.718 6.230   1.000 44.160  0 47  GLY AAA O   1 ? 1  
ATOM   359  N  N   . VAL A 1 48  ? 10.337  -15.963 7.431   1.000 43.181  0 48  VAL AAA N   1 ? 1  
ATOM   360  C  CA  . VAL A 1 48  ? 9.634   -14.763 7.977   1.000 45.150  0 48  VAL AAA CA  1 ? 1  
ATOM   361  C  C   . VAL A 1 48  ? 10.387  -13.483 7.615   1.000 42.952  0 48  VAL AAA C   1 ? 1  
ATOM   362  O  O   . VAL A 1 48  ? 9.700   -12.471 7.397   1.000 45.070  0 48  VAL AAA O   1 ? 1  
ATOM   363  C  CB  . VAL A 1 48  ? 9.376   -14.889 9.491   1.000 47.610  0 48  VAL AAA CB  1 ? 1  
ATOM   364  C  CG1 . VAL A 1 48  ? 8.359   -15.986 9.747   1.000 50.015  0 48  VAL AAA CG1 1 ? 1  
ATOM   365  C  CG2 . VAL A 1 48  ? 10.649  -15.126 10.293  1.000 48.739  0 48  VAL AAA CG2 1 ? 1  
ATOM   366  N  N   . SER A 1 49  ? 11.725  -13.520 7.559   1.000 41.637  0 49  SER AAA N   1 ? 1  
ATOM   367  C  CA  A SER A 1 49  ? 12.571  -12.334 7.260   0.500 41.598  0 49  SER AAA CA  1 ? 1  
ATOM   368  C  CA  B SER A 1 49  ? 12.554  -12.334 7.215   0.500 41.661  0 49  SER AAA CA  1 ? 1  
ATOM   369  C  C   . SER A 1 49  ? 13.856  -12.760 6.540   1.000 39.511  0 49  SER AAA C   1 ? 1  
ATOM   370  O  O   . SER A 1 49  ? 14.338  -13.885 6.796   1.000 41.274  0 49  SER AAA O   1 ? 1  
ATOM   371  C  CB  A SER A 1 49  ? 12.888  -11.564 8.520   0.500 43.801  0 49  SER AAA CB  1 ? 1  
ATOM   372  C  CB  B SER A 1 49  ? 12.842  -11.473 8.416   0.500 43.292  0 49  SER AAA CB  1 ? 1  
ATOM   373  O  OG  A SER A 1 49  ? 11.738  -11.427 9.349   0.500 45.893  0 49  SER AAA OG  1 ? 1  
ATOM   374  O  OG  B SER A 1 49  ? 13.562  -10.304 8.035   0.500 42.657  0 49  SER AAA OG  1 ? 1  
ATOM   375  N  N   . TRP A 1 50  ? 14.392  -11.861 5.717   1.000 40.171  0 50  TRP AAA N   1 ? 1  
ATOM   376  C  CA  . TRP A 1 50  ? 15.595  -12.111 4.896   1.000 39.278  0 50  TRP AAA CA  1 ? 1  
ATOM   377  C  C   . TRP A 1 50  ? 16.463  -10.855 4.888   1.000 40.784  0 50  TRP AAA C   1 ? 1  
ATOM   378  O  O   . TRP A 1 50  ? 15.879  -9.711  4.848   1.000 43.981  0 50  TRP AAA O   1 ? 1  
ATOM   379  C  CB  . TRP A 1 50  ? 15.189  -12.485 3.464   1.000 36.619  0 50  TRP AAA CB  1 ? 1  
ATOM   380  C  CG  . TRP A 1 50  ? 14.379  -13.738 3.321   1.000 35.909  0 50  TRP AAA CG  1 ? 1  
ATOM   381  C  CD1 . TRP A 1 50  ? 14.857  -14.973 2.995   1.000 35.680  0 50  TRP AAA CD1 1 ? 1  
ATOM   382  C  CD2 . TRP A 1 50  ? 12.953  -13.892 3.464   1.000 37.361  0 50  TRP AAA CD2 1 ? 1  
ATOM   383  N  NE1 . TRP A 1 50  ? 13.838  -15.882 2.931   1.000 35.357  0 50  TRP AAA NE1 1 ? 1  
ATOM   384  C  CE2 . TRP A 1 50  ? 12.659  -15.251 3.210   1.000 36.320  0 50  TRP AAA CE2 1 ? 1  
ATOM   385  C  CE3 . TRP A 1 50  ? 11.900  -13.027 3.786   1.000 38.357  0 50  TRP AAA CE3 1 ? 1  
ATOM   386  C  CZ2 . TRP A 1 50  ? 11.364  -15.761 3.269   1.000 36.743  0 50  TRP AAA CZ2 1 ? 1  
ATOM   387  C  CZ3 . TRP A 1 50  ? 10.619  -13.530 3.844   1.000 40.331  0 50  TRP AAA CZ3 1 ? 1  
ATOM   388  C  CH2 . TRP A 1 50  ? 10.357  -14.876 3.584   1.000 41.207  0 50  TRP AAA CH2 1 ? 1  
ATOM   389  N  N   . LEU A 1 51  ? 17.785  -11.049 4.860   1.000 41.223  0 51  LEU AAA N   1 ? 1  
ATOM   390  C  CA  . LEU A 1 51  ? 18.742  -9.943  4.622   1.000 41.857  0 51  LEU AAA CA  1 ? 1  
ATOM   391  C  C   . LEU A 1 51  ? 19.757  -10.345 3.551   1.000 42.715  0 51  LEU AAA C   1 ? 1  
ATOM   392  O  O   . LEU A 1 51  ? 20.501  -11.336 3.745   1.000 43.153  0 51  LEU AAA O   1 ? 1  
ATOM   393  C  CB  . LEU A 1 51  ? 19.439  -9.564  5.934   1.000 44.316  0 51  LEU AAA CB  1 ? 1  
ATOM   394  C  CG  . LEU A 1 51  ? 20.390  -8.373  5.837   1.000 47.016  0 51  LEU AAA CG  1 ? 1  
ATOM   395  C  CD1 . LEU A 1 51  ? 19.635  -7.089  5.517   1.000 45.985  0 51  LEU AAA CD1 1 ? 1  
ATOM   396  C  CD2 . LEU A 1 51  ? 21.189  -8.214  7.117   1.000 52.492  0 51  LEU AAA CD2 1 ? 1  
ATOM   397  N  N   . SER A 1 52  ? 19.801  -9.571  2.474   1.000 42.014  0 52  SER AAA N   1 ? 1  
ATOM   398  C  CA  . SER A 1 52  ? 20.877  -9.642  1.455   1.000 41.882  0 52  SER AAA CA  1 ? 1  
ATOM   399  C  C   . SER A 1 52  ? 22.020  -8.744  1.922   1.000 42.571  0 52  SER AAA C   1 ? 1  
ATOM   400  O  O   . SER A 1 52  ? 21.848  -7.511  1.884   1.000 46.248  0 52  SER AAA O   1 ? 1  
ATOM   401  C  CB  . SER A 1 52  ? 20.396  -9.257  0.089   1.000 41.627  0 52  SER AAA CB  1 ? 1  
ATOM   402  O  OG  . SER A 1 52  ? 21.438  -9.459  -0.852  1.000 45.210  0 52  SER AAA OG  1 ? 1  
ATOM   403  N  N   . VAL A 1 53  ? 23.116  -9.351  2.384   1.000 44.180  0 53  VAL AAA N   1 ? 1  
ATOM   404  C  CA  . VAL A 1 53  ? 24.170  -8.667  3.191   1.000 46.653  0 53  VAL AAA CA  1 ? 1  
ATOM   405  C  C   . VAL A 1 53  ? 24.892  -7.619  2.336   1.000 47.534  0 53  VAL AAA C   1 ? 1  
ATOM   406  O  O   . VAL A 1 53  ? 25.038  -6.498  2.840   1.000 51.590  0 53  VAL AAA O   1 ? 1  
ATOM   407  C  CB  . VAL A 1 53  ? 25.132  -9.680  3.849   1.000 49.421  0 53  VAL AAA CB  1 ? 1  
ATOM   408  C  CG1 . VAL A 1 53  ? 26.364  -9.018  4.457   1.000 51.493  0 53  VAL AAA CG1 1 ? 1  
ATOM   409  C  CG2 . VAL A 1 53  ? 24.406  -10.501 4.912   1.000 47.908  0 53  VAL AAA CG2 1 ? 1  
ATOM   410  N  N   . SER A 1 54  ? 25.282  -7.934  1.089   1.000 49.519  0 54  SER AAA N   1 ? 1  
ATOM   411  C  CA  . SER A 1 54  ? 26.104  -7.023  0.240   1.000 51.426  0 54  SER AAA CA  1 ? 1  
ATOM   412  C  C   . SER A 1 54  ? 25.338  -5.713  0.001   1.000 50.408  0 54  SER AAA C   1 ? 1  
ATOM   413  O  O   . SER A 1 54  ? 25.938  -4.640  0.140   1.000 54.830  0 54  SER AAA O   1 ? 1  
ATOM   414  C  CB  . SER A 1 54  ? 26.521  -7.679  -1.052  1.000 53.619  0 54  SER AAA CB  1 ? 1  
ATOM   415  O  OG  . SER A 1 54  ? 25.403  -8.278  -1.693  1.000 59.205  0 54  SER AAA OG  1 ? 1  
ATOM   416  N  N   . ASP A 1 55  ? 24.045  -5.821  -0.301  1.000 49.444  0 55  ASP AAA N   1 ? 1  
ATOM   417  C  CA  . ASP A 1 55  ? 23.123  -4.716  -0.685  1.000 48.940  0 55  ASP AAA CA  1 ? 1  
ATOM   418  C  C   . ASP A 1 55  ? 22.472  -4.142  0.578   1.000 49.495  0 55  ASP AAA C   1 ? 1  
ATOM   419  O  O   . ASP A 1 55  ? 21.881  -3.058  0.502   1.000 50.256  0 55  ASP AAA O   1 ? 1  
ATOM   420  C  CB  . ASP A 1 55  ? 22.038  -5.235  -1.649  1.000 50.966  0 55  ASP AAA CB  1 ? 1  
ATOM   421  C  CG  . ASP A 1 55  ? 22.452  -5.274  -3.105  1.000 54.059  0 55  ASP AAA CG  1 ? 1  
ATOM   422  O  OD1 . ASP A 1 55  ? 23.643  -4.984  -3.383  1.000 65.398  0 55  ASP AAA OD1 1 ? 1  
ATOM   423  O  OD2 . ASP A 1 55  ? 21.578  -5.586  -3.960  1.000 54.825  0 55  ASP AAA OD2 1 ? 1  
ATOM   424  N  N   . ASN A 1 56  ? 22.559  -4.868  1.692   1.000 50.154  0 56  ASN AAA N   1 ? 1  
ATOM   425  C  CA  . ASN A 1 56  ? 21.879  -4.524  2.970   1.000 50.337  0 56  ASN AAA CA  1 ? 1  
ATOM   426  C  C   . ASN A 1 56  ? 20.373  -4.352  2.729   1.000 46.286  0 56  ASN AAA C   1 ? 1  
ATOM   427  O  O   . ASN A 1 56  ? 19.785  -3.369  3.224   1.000 52.140  0 56  ASN AAA O   1 ? 1  
ATOM   428  C  CB  . ASN A 1 56  ? 22.481  -3.273  3.615   1.000 53.559  0 56  ASN AAA CB  1 ? 1  
ATOM   429  C  CG  . ASN A 1 56  ? 22.227  -3.260  5.103   1.000 55.923  0 56  ASN AAA CG  1 ? 1  
ATOM   430  O  OD1 . ASN A 1 56  ? 22.225  -4.318  5.721   1.000 60.384  0 56  ASN AAA OD1 1 ? 1  
ATOM   431  N  ND2 . ASN A 1 56  ? 21.998  -2.091  5.672   1.000 59.025  0 56  ASN AAA ND2 1 ? 1  
ATOM   432  N  N   . THR A 1 57  ? 19.764  -5.277  1.993   1.000 44.903  0 57  THR AAA N   1 ? 1  
ATOM   433  C  CA  . THR A 1 57  ? 18.334  -5.199  1.624   1.000 44.404  0 57  THR AAA CA  1 ? 1  
ATOM   434  C  C   . THR A 1 57  ? 17.547  -6.198  2.454   1.000 44.106  0 57  THR AAA C   1 ? 1  
ATOM   435  O  O   . THR A 1 57  ? 17.782  -7.402  2.357   1.000 45.493  0 57  THR AAA O   1 ? 1  
ATOM   436  C  CB  . THR A 1 57  ? 18.118  -5.484  0.136   1.000 43.270  0 57  THR AAA CB  1 ? 1  
ATOM   437  O  OG1 . THR A 1 57  ? 19.056  -4.657  -0.550  1.000 50.314  0 57  THR AAA OG1 1 ? 1  
ATOM   438  C  CG2 . THR A 1 57  ? 16.696  -5.196  -0.297  1.000 46.255  0 57  THR AAA CG2 1 ? 1  
ATOM   439  N  N   . PRO A 1 58  ? 16.589  -5.718  3.275   1.000 44.698  0 58  PRO AAA N   1 ? 1  
ATOM   440  C  CA  . PRO A 1 58  ? 15.741  -6.597  4.073   1.000 42.768  0 58  PRO AAA CA  1 ? 1  
ATOM   441  C  C   . PRO A 1 58  ? 14.398  -6.900  3.405   1.000 42.146  0 58  PRO AAA C   1 ? 1  
ATOM   442  O  O   . PRO A 1 58  ? 13.941  -6.101  2.606   1.000 44.802  0 58  PRO AAA O   1 ? 1  
ATOM   443  C  CB  . PRO A 1 58  ? 15.520  -5.724  5.314   1.000 46.024  0 58  PRO AAA CB  1 ? 1  
ATOM   444  C  CG  . PRO A 1 58  ? 15.358  -4.342  4.731   1.000 48.575  0 58  PRO AAA CG  1 ? 1  
ATOM   445  C  CD  . PRO A 1 58  ? 16.318  -4.296  3.556   1.000 48.225  0 58  PRO AAA CD  1 ? 1  
ATOM   446  N  N   . THR A 1 59  ? 13.811  -8.041  3.755   1.000 40.576  0 59  THR AAA N   1 ? 1  
ATOM   447  C  CA  . THR A 1 59  ? 12.479  -8.486  3.281   1.000 40.824  0 59  THR AAA CA  1 ? 1  
ATOM   448  C  C   . THR A 1 59  ? 11.759  -9.133  4.465   1.000 40.862  0 59  THR AAA C   1 ? 1  
ATOM   449  O  O   . THR A 1 59  ? 12.435  -9.797  5.264   1.000 41.549  0 59  THR AAA O   1 ? 1  
ATOM   450  C  CB  . THR A 1 59  ? 12.573  -9.441  2.078   1.000 40.499  0 59  THR AAA CB  1 ? 1  
ATOM   451  O  OG1 . THR A 1 59  ? 13.403  -8.884  1.051   1.000 39.871  0 59  THR AAA OG1 1 ? 1  
ATOM   452  C  CG2 . THR A 1 59  ? 11.209  -9.761  1.504   1.000 40.088  0 59  THR AAA CG2 1 ? 1  
ATOM   453  N  N   . TYR A 1 60  ? 10.441  -8.953  4.548   1.000 43.008  0 60  TYR AAA N   1 ? 1  
ATOM   454  C  CA  . TYR A 1 60  ? 9.570   -9.498  5.626   1.000 44.363  0 60  TYR AAA CA  1 ? 1  
ATOM   455  C  C   . TYR A 1 60  ? 8.300   -10.084 5.009   1.000 44.741  0 60  TYR AAA C   1 ? 1  
ATOM   456  O  O   . TYR A 1 60  ? 7.807   -9.504  4.021   1.000 44.826  0 60  TYR AAA O   1 ? 1  
ATOM   457  C  CB  . TYR A 1 60  ? 9.166   -8.386  6.597   1.000 47.568  0 60  TYR AAA CB  1 ? 1  
ATOM   458  C  CG  . TYR A 1 60  ? 10.319  -7.600  7.164   1.000 49.192  0 60  TYR AAA CG  1 ? 1  
ATOM   459  C  CD1 . TYR A 1 60  ? 11.032  -8.065  8.260   1.000 49.052  0 60  TYR AAA CD1 1 ? 1  
ATOM   460  C  CD2 . TYR A 1 60  ? 10.697  -6.385  6.610   1.000 50.190  0 60  TYR AAA CD2 1 ? 1  
ATOM   461  C  CE1 . TYR A 1 60  ? 12.094  -7.347  8.787   1.000 49.098  0 60  TYR AAA CE1 1 ? 1  
ATOM   462  C  CE2 . TYR A 1 60  ? 11.755  -5.654  7.129   1.000 51.214  0 60  TYR AAA CE2 1 ? 1  
ATOM   463  C  CZ  . TYR A 1 60  ? 12.456  -6.137  8.222   1.000 51.586  0 60  TYR AAA CZ  1 ? 1  
ATOM   464  O  OH  . TYR A 1 60  ? 13.495  -5.421  8.752   1.000 53.526  0 60  TYR AAA OH  1 ? 1  
ATOM   465  N  N   . VAL A 1 61  ? 7.763   -11.161 5.586   1.000 43.969  0 61  VAL AAA N   1 ? 1  
ATOM   466  C  CA  . VAL A 1 61  ? 6.388   -11.634 5.246   1.000 46.821  0 61  VAL AAA CA  1 ? 1  
ATOM   467  C  C   . VAL A 1 61  ? 5.399   -10.627 5.847   1.000 50.761  0 61  VAL AAA C   1 ? 1  
ATOM   468  O  O   . VAL A 1 61  ? 5.768   -9.957  6.836   1.000 53.010  0 61  VAL AAA O   1 ? 1  
ATOM   469  C  CB  . VAL A 1 61  ? 6.125   -13.082 5.704   1.000 47.038  0 61  VAL AAA CB  1 ? 1  
ATOM   470  C  CG1 . VAL A 1 61  ? 7.082   -14.056 5.034   1.000 46.454  0 61  VAL AAA CG1 1 ? 1  
ATOM   471  C  CG2 . VAL A 1 61  ? 6.168   -13.246 7.212   1.000 45.478  0 61  VAL AAA CG2 1 ? 1  
ATOM   472  N  N   . ASP A 1 62  ? 4.209   -10.489 5.251   1.000 52.169  0 62  ASP AAA N   1 ? 1  
ATOM   473  C  CA  . ASP A 1 62  ? 3.224   -9.426  5.602   1.000 55.928  0 62  ASP AAA CA  1 ? 1  
ATOM   474  C  C   . ASP A 1 62  ? 2.825   -9.536  7.077   1.000 55.782  0 62  ASP AAA C   1 ? 1  
ATOM   475  O  O   . ASP A 1 62  ? 2.550   -8.481  7.676   1.000 61.533  0 62  ASP AAA O   1 ? 1  
ATOM   476  C  CB  . ASP A 1 62  ? 1.970   -9.476  4.723   1.000 62.080  0 62  ASP AAA CB  1 ? 1  
ATOM   477  C  CG  . ASP A 1 62  ? 2.136   -8.837  3.353   1.000 68.470  0 62  ASP AAA CG  1 ? 1  
ATOM   478  O  OD1 . ASP A 1 62  ? 3.080   -8.026  3.175   1.000 69.755  0 62  ASP AAA OD1 1 ? 1  
ATOM   479  O  OD2 . ASP A 1 62  ? 1.315   -9.149  2.467   1.000 76.914  0 62  ASP AAA OD2 1 ? 1  
ATOM   480  N  N   . SER A 1 63  ? 2.783   -10.750 7.636   1.000 55.229  0 63  SER AAA N   1 ? 1  
ATOM   481  C  CA  . SER A 1 63  ? 2.289   -11.011 9.014   1.000 57.984  0 63  SER AAA CA  1 ? 1  
ATOM   482  C  C   . SER A 1 63  ? 3.273   -10.491 10.075  1.000 56.681  0 63  SER AAA C   1 ? 1  
ATOM   483  O  O   . SER A 1 63  ? 2.838   -10.380 11.234  1.000 61.638  0 63  SER AAA O   1 ? 1  
ATOM   484  C  CB  . SER A 1 63  ? 1.975   -12.471 9.234   1.000 57.949  0 63  SER AAA CB  1 ? 1  
ATOM   485  O  OG  . SER A 1 63  ? 3.166   -13.222 9.368   1.000 56.633  0 63  SER AAA OG  1 ? 1  
ATOM   486  N  N   . VAL A 1 64  ? 4.535   -10.195 9.739   1.000 53.890  0 64  VAL AAA N   1 ? 1  
ATOM   487  C  CA  . VAL A 1 64  ? 5.527   -9.684  10.743  1.000 56.991  0 64  VAL AAA CA  1 ? 1  
ATOM   488  C  C   . VAL A 1 64  ? 5.982   -8.269  10.357  1.000 58.860  0 64  VAL AAA C   1 ? 1  
ATOM   489  O  O   . VAL A 1 64  ? 6.841   -7.707  11.079  1.000 58.946  0 64  VAL AAA O   1 ? 1  
ATOM   490  C  CB  . VAL A 1 64  ? 6.723   -10.643 10.927  1.000 53.589  0 64  VAL AAA CB  1 ? 1  
ATOM   491  C  CG1 . VAL A 1 64  ? 6.270   -12.065 11.231  1.000 52.964  0 64  VAL AAA CG1 1 ? 1  
ATOM   492  C  CG2 . VAL A 1 64  ? 7.673   -10.628 9.736   1.000 52.563  0 64  VAL AAA CG2 1 ? 1  
ATOM   493  N  N   . LYS A 1 65  ? 5.368   -7.695  9.317   1.000 60.994  0 65  LYS AAA N   1 ? 2  
ATOM   494  C  CA  . LYS A 1 65  ? 5.805   -6.454  8.624   1.000 65.926  0 65  LYS AAA CA  1 ? 2  
ATOM   495  C  C   . LYS A 1 65  ? 6.287   -5.406  9.642   1.000 71.591  0 65  LYS AAA C   1 ? 2  
ATOM   496  O  O   . LYS A 1 65  ? 7.498   -5.085  9.623   1.000 87.107  0 65  LYS AAA O   1 ? 2  
ATOM   497  C  CB  . LYS A 1 65  ? 4.662   -5.931  7.745   1.000 71.106  0 65  LYS AAA CB  1 ? 2  
ATOM   498  C  CG  . LYS A 1 65  ? 5.003   -4.722  6.887   1.000 76.640  0 65  LYS AAA CG  1 ? 2  
ATOM   499  C  CD  . LYS A 1 65  ? 3.816   -4.131  6.150   1.000 83.317  0 65  LYS AAA CD  1 ? 2  
ATOM   500  C  CE  . LYS A 1 65  ? 4.057   -2.697  5.724   1.000 86.566  0 65  LYS AAA CE  1 ? 2  
ATOM   501  N  NZ  . LYS A 1 65  ? 3.344   -2.362  4.468   1.000 89.373  0 65  LYS AAA NZ  1 ? 2  
ATOM   502  N  N   . ASP A 1 66  ? 5.398   -4.911  10.508  1.000 71.565  0 66  ASP AAA N   1 ? 2  
ATOM   503  C  CA  . ASP A 1 66  ? 5.650   -3.695  11.335  1.000 74.611  0 66  ASP AAA CA  1 ? 2  
ATOM   504  C  C   . ASP A 1 66  ? 6.056   -4.075  12.767  1.000 72.439  0 66  ASP AAA C   1 ? 2  
ATOM   505  O  O   . ASP A 1 66  ? 6.195   -3.158  13.598  1.000 76.989  0 66  ASP AAA O   1 ? 2  
ATOM   506  C  CB  . ASP A 1 66  ? 4.432   -2.766  11.309  1.000 82.697  0 66  ASP AAA CB  1 ? 2  
ATOM   507  C  CG  . ASP A 1 66  ? 4.137   -2.194  9.931   1.000 84.956  0 66  ASP AAA CG  1 ? 2  
ATOM   508  O  OD1 . ASP A 1 66  ? 5.063   -1.615  9.325   1.000 86.875  0 66  ASP AAA OD1 1 ? 2  
ATOM   509  O  OD2 . ASP A 1 66  ? 2.986   -2.342  9.470   1.000 94.457  0 66  ASP AAA OD2 1 ? 2  
ATOM   510  N  N   . ARG A 1 67  ? 6.257   -5.365  13.044  1.000 68.042  0 67  ARG AAA N   1 ? 2  
ATOM   511  C  CA  . ARG A 1 67  ? 6.611   -5.908  14.385  1.000 69.739  0 67  ARG AAA CA  1 ? 2  
ATOM   512  C  C   . ARG A 1 67  ? 8.064   -6.397  14.379  1.000 66.252  0 67  ARG AAA C   1 ? 2  
ATOM   513  O  O   . ARG A 1 67  ? 8.743   -6.249  15.400  1.000 66.610  0 67  ARG AAA O   1 ? 2  
ATOM   514  C  CB  . ARG A 1 67  ? 5.647   -7.043  14.748  1.000 71.701  0 67  ARG AAA CB  1 ? 2  
ATOM   515  C  CG  . ARG A 1 67  ? 4.181   -6.673  14.571  1.000 76.479  0 67  ARG AAA CG  1 ? 2  
ATOM   516  C  CD  . ARG A 1 67  ? 3.215   -7.723  15.082  1.000 76.328  0 67  ARG AAA CD  1 ? 2  
ATOM   517  N  NE  . ARG A 1 67  ? 3.282   -8.973  14.327  1.000 73.858  0 67  ARG AAA NE  1 ? 2  
ATOM   518  C  CZ  . ARG A 1 67  ? 3.819   -10.116 14.760  1.000 70.111  0 67  ARG AAA CZ  1 ? 2  
ATOM   519  N  NH1 . ARG A 1 67  ? 4.367   -10.204 15.963  1.000 72.525  0 67  ARG AAA NH1 1 ? 2  
ATOM   520  N  NH2 . ARG A 1 67  ? 3.795   -11.182 13.980  1.000 67.436  0 67  ARG AAA NH2 1 ? 2  
ATOM   521  N  N   . PHE A 1 68  ? 8.514   -6.980  13.267  1.000 63.914  0 68  PHE AAA N   1 ? 2  
ATOM   522  C  CA  . PHE A 1 68  ? 9.859   -7.595  13.129  1.000 59.569  0 68  PHE AAA CA  1 ? 2  
ATOM   523  C  C   . PHE A 1 68  ? 10.776  -6.639  12.360  1.000 61.070  0 68  PHE AAA C   1 ? 2  
ATOM   524  O  O   . PHE A 1 68  ? 10.307  -5.965  11.404  1.000 61.851  0 68  PHE AAA O   1 ? 2  
ATOM   525  C  CB  . PHE A 1 68  ? 9.766   -8.949  12.428  1.000 56.289  0 68  PHE AAA CB  1 ? 2  
ATOM   526  C  CG  . PHE A 1 68  ? 9.299   -10.128 13.247  1.000 56.720  0 68  PHE AAA CG  1 ? 2  
ATOM   527  C  CD1 . PHE A 1 68  ? 8.536   -9.974  14.398  1.000 62.235  0 68  PHE AAA CD1 1 ? 2  
ATOM   528  C  CD2 . PHE A 1 68  ? 9.575   -11.418 12.809  1.000 56.439  0 68  PHE AAA CD2 1 ? 2  
ATOM   529  C  CE1 . PHE A 1 68  ? 8.101   -11.084 15.112  1.000 65.378  0 68  PHE AAA CE1 1 ? 2  
ATOM   530  C  CE2 . PHE A 1 68  ? 9.143   -12.524 13.527  1.000 54.792  0 68  PHE AAA CE2 1 ? 2  
ATOM   531  C  CZ  . PHE A 1 68  ? 8.396   -12.356 14.668  1.000 60.259  0 68  PHE AAA CZ  1 ? 2  
ATOM   532  N  N   . THR A 1 69  ? 12.046  -6.586  12.772  1.000 58.719  0 69  THR AAA N   1 ? 2  
ATOM   533  C  CA  . THR A 1 69  ? 13.127  -5.794  12.130  1.000 59.244  0 69  THR AAA CA  1 ? 2  
ATOM   534  C  C   . THR A 1 69  ? 14.373  -6.671  12.042  1.000 56.587  0 69  THR AAA C   1 ? 2  
ATOM   535  O  O   . THR A 1 69  ? 14.786  -7.228  13.069  1.000 61.501  0 69  THR AAA O   1 ? 2  
ATOM   536  C  CB  . THR A 1 69  ? 13.428  -4.499  12.897  1.000 63.391  0 69  THR AAA CB  1 ? 2  
ATOM   537  O  OG1 . THR A 1 69  ? 12.261  -3.677  12.880  1.000 64.614  0 69  THR AAA OG1 1 ? 2  
ATOM   538  C  CG2 . THR A 1 69  ? 14.594  -3.730  12.312  1.000 64.951  0 69  THR AAA CG2 1 ? 2  
ATOM   539  N  N   . ILE A 1 70  ? 14.936  -6.797  10.841  1.000 54.569  0 70  ILE AAA N   1 ? 2  
ATOM   540  C  CA  . ILE A 1 70  ? 16.215  -7.520  10.616  1.000 52.641  0 70  ILE AAA CA  1 ? 2  
ATOM   541  C  C   . ILE A 1 70  ? 17.309  -6.477  10.373  1.000 55.490  0 70  ILE AAA C   1 ? 2  
ATOM   542  O  O   . ILE A 1 70  ? 17.020  -5.431  9.755   1.000 59.574  0 70  ILE AAA O   1 ? 2  
ATOM   543  C  CB  . ILE A 1 70  ? 16.071  -8.545  9.472   1.000 49.710  0 70  ILE AAA CB  1 ? 2  
ATOM   544  C  CG1 . ILE A 1 70  ? 17.220  -9.558  9.486   1.000 49.013  0 70  ILE AAA CG1 1 ? 2  
ATOM   545  C  CG2 . ILE A 1 70  ? 15.914  -7.871  8.111   1.000 51.296  0 70  ILE AAA CG2 1 ? 2  
ATOM   546  C  CD1 . ILE A 1 70  ? 16.988  -10.747 8.574   1.000 47.331  0 70  ILE AAA CD1 1 ? 2  
ATOM   547  N  N   . SER A 1 71  ? 18.513  -6.746  10.872  1.000 56.870  0 71  SER AAA N   1 ? 2  
ATOM   548  C  CA  . SER A 1 71  ? 19.666  -5.816  10.816  1.000 58.017  0 71  SER AAA CA  1 ? 2  
ATOM   549  C  C   . SER A 1 71  ? 20.961  -6.618  10.946  1.000 59.244  0 71  SER AAA C   1 ? 2  
ATOM   550  O  O   . SER A 1 71  ? 20.897  -7.808  11.347  1.000 58.737  0 71  SER AAA O   1 ? 2  
ATOM   551  C  CB  . SER A 1 71  ? 19.555  -4.750  11.877  1.000 63.567  0 71  SER AAA CB  1 ? 2  
ATOM   552  O  OG  . SER A 1 71  ? 19.611  -5.324  13.185  1.000 72.063  0 71  SER AAA OG  1 ? 2  
ATOM   553  N  N   . ARG A 1 72  ? 22.079  -5.986  10.573  1.000 61.651  0 72  ARG AAA N   1 ? 2  
ATOM   554  C  CA  . ARG A 1 72  ? 23.432  -6.578  10.702  1.000 62.504  0 72  ARG AAA CA  1 ? 2  
ATOM   555  C  C   . ARG A 1 72  ? 24.346  -5.567  11.390  1.000 66.004  0 72  ARG AAA C   1 ? 2  
ATOM   556  O  O   . ARG A 1 72  ? 24.245  -4.371  11.069  1.000 67.368  0 72  ARG AAA O   1 ? 2  
ATOM   557  C  CB  . ARG A 1 72  ? 23.996  -6.972  9.336   1.000 61.152  0 72  ARG AAA CB  1 ? 2  
ATOM   558  C  CG  . ARG A 1 72  ? 25.352  -7.656  9.410   1.000 62.213  0 72  ARG AAA CG  1 ? 2  
ATOM   559  C  CD  . ARG A 1 72  ? 25.681  -8.418  8.138   1.000 62.338  0 72  ARG AAA CD  1 ? 2  
ATOM   560  N  NE  . ARG A 1 72  ? 27.101  -8.725  8.036   1.000 64.585  0 72  ARG AAA NE  1 ? 2  
ATOM   561  C  CZ  . ARG A 1 72  ? 28.041  -7.852  7.679   1.000 71.613  0 72  ARG AAA CZ  1 ? 2  
ATOM   562  N  NH1 . ARG A 1 72  ? 27.721  -6.597  7.400   1.000 74.495  0 72  ARG AAA NH1 1 ? 2  
ATOM   563  N  NH2 . ARG A 1 72  ? 29.305  -8.236  7.611   1.000 76.918  0 72  ARG AAA NH2 1 ? 2  
ATOM   564  N  N   . HIS A 1 73  ? 25.192  -6.045  12.304  1.000 69.809  0 73  HIS AAA N   1 ? 2  
ATOM   565  C  CA  . HIS A 1 73  ? 26.343  -5.286  12.853  1.000 78.190  0 73  HIS AAA CA  1 ? 2  
ATOM   566  C  C   . HIS A 1 73  ? 27.611  -5.805  12.164  1.000 78.579  0 73  HIS AAA C   1 ? 2  
ATOM   567  O  O   . HIS A 1 73  ? 27.916  -7.015  12.277  1.000 77.217  0 73  HIS AAA O   1 ? 2  
ATOM   568  C  CB  . HIS A 1 73  ? 26.367  -5.338  14.386  1.000 82.847  0 73  HIS AAA CB  1 ? 2  
ATOM   569  C  CG  . HIS A 1 73  ? 26.617  -4.004  15.008  1.000 92.264  0 73  HIS AAA CG  1 ? 2  
ATOM   570  N  ND1 . HIS A 1 73  ? 25.722  -2.957  14.883  1.000 94.270  0 73  HIS AAA ND1 1 ? 2  
ATOM   571  C  CD2 . HIS A 1 73  ? 27.649  -3.537  15.744  1.000 98.625  0 73  HIS AAA CD2 1 ? 2  
ATOM   572  C  CE1 . HIS A 1 73  ? 26.191  -1.904  15.517  1.000 99.756  0 73  HIS AAA CE1 1 ? 2  
ATOM   573  N  NE2 . HIS A 1 73  ? 27.374  -2.233  16.057  1.000 102.235 0 73  HIS AAA NE2 1 ? 2  
ATOM   574  N  N   . ASN A 1 74  ? 28.275  -4.915  11.427  1.000 80.444  0 74  ASN AAA N   1 ? 2  
ATOM   575  C  CA  . ASN A 1 74  ? 29.461  -5.209  10.584  1.000 82.369  0 74  ASN AAA CA  1 ? 2  
ATOM   576  C  C   . ASN A 1 74  ? 30.554  -5.847  11.450  1.000 84.946  0 74  ASN AAA C   1 ? 2  
ATOM   577  O  O   . ASN A 1 74  ? 31.069  -6.918  11.056  1.000 83.421  0 74  ASN AAA O   1 ? 2  
ATOM   578  C  CB  . ASN A 1 74  ? 29.958  -3.932  9.900   1.000 87.442  0 74  ASN AAA CB  1 ? 2  
ATOM   579  C  CG  . ASN A 1 74  ? 30.557  -4.184  8.536   1.000 88.475  0 74  ASN AAA CG  1 ? 2  
ATOM   580  O  OD1 . ASN A 1 74  ? 30.163  -5.121  7.844   1.000 87.904  0 74  ASN AAA OD1 1 ? 2  
ATOM   581  N  ND2 . ASN A 1 74  ? 31.496  -3.343  8.136   1.000 95.109  0 74  ASN AAA ND2 1 ? 2  
ATOM   582  N  N   . ALA A 1 75  ? 30.851  -5.217  12.595  1.000 88.282  0 75  ALA AAA N   1 ? 2  
ATOM   583  C  CA  . ALA A 1 75  ? 31.994  -5.505  13.497  1.000 92.661  0 75  ALA AAA CA  1 ? 2  
ATOM   584  C  C   . ALA A 1 75  ? 32.037  -6.989  13.885  1.000 92.862  0 75  ALA AAA C   1 ? 2  
ATOM   585  O  O   . ALA A 1 75  ? 33.128  -7.588  13.782  1.000 98.976  0 75  ALA AAA O   1 ? 2  
ATOM   586  C  CB  . ALA A 1 75  ? 31.907  -4.632  14.725  1.000 95.711  0 75  ALA AAA CB  1 ? 2  
ATOM   587  N  N   . ASN A 1 76  ? 30.907  -7.547  14.333  1.000 90.662  0 76  ASN AAA N   1 ? 2  
ATOM   588  C  CA  . ASN A 1 76  ? 30.824  -8.919  14.907  1.000 86.140  0 76  ASN AAA CA  1 ? 2  
ATOM   589  C  C   . ASN A 1 76  ? 30.230  -9.889  13.876  1.000 83.767  0 76  ASN AAA C   1 ? 2  
ATOM   590  O  O   . ASN A 1 76  ? 30.073  -11.076 14.220  1.000 83.886  0 76  ASN AAA O   1 ? 2  
ATOM   591  C  CB  . ASN A 1 76  ? 30.050  -8.933  16.231  1.000 87.004  0 76  ASN AAA CB  1 ? 2  
ATOM   592  C  CG  . ASN A 1 76  ? 28.615  -8.467  16.100  1.000 84.918  0 76  ASN AAA CG  1 ? 2  
ATOM   593  O  OD1 . ASN A 1 76  ? 28.140  -8.178  15.002  1.000 86.450  0 76  ASN AAA OD1 1 ? 2  
ATOM   594  N  ND2 . ASN A 1 76  ? 27.913  -8.396  17.217  1.000 87.092  0 76  ASN AAA ND2 1 ? 2  
ATOM   595  N  N   . ASN A 1 77  ? 29.917  -9.415  12.663  1.000 77.092  0 77  ASN AAA N   1 ? 2  
ATOM   596  C  CA  . ASN A 1 77  ? 29.413  -10.259 11.547  1.000 74.690  0 77  ASN AAA CA  1 ? 2  
ATOM   597  C  C   . ASN A 1 77  ? 28.115  -10.953 11.988  1.000 68.823  0 77  ASN AAA C   1 ? 2  
ATOM   598  O  O   . ASN A 1 77  ? 27.872  -12.112 11.571  1.000 74.070  0 77  ASN AAA O   1 ? 2  
ATOM   599  C  CB  . ASN A 1 77  ? 30.478  -11.268 11.109  1.000 78.749  0 77  ASN AAA CB  1 ? 2  
ATOM   600  C  CG  . ASN A 1 77  ? 30.689  -11.284 9.611   1.000 80.286  0 77  ASN AAA CG  1 ? 2  
ATOM   601  O  OD1 . ASN A 1 77  ? 29.786  -11.631 8.844   1.000 92.442  0 77  ASN AAA OD1 1 ? 2  
ATOM   602  N  ND2 . ASN A 1 77  ? 31.886  -10.914 9.185   1.000 86.831  0 77  ASN AAA ND2 1 ? 2  
ATOM   603  N  N   . THR A 1 78  ? 27.319  -10.269 12.819  1.000 68.515  0 78  THR AAA N   1 ? 2  
ATOM   604  C  CA  . THR A 1 78  ? 26.085  -10.823 13.426  1.000 64.722  0 78  THR AAA CA  1 ? 2  
ATOM   605  C  C   . THR A 1 78  ? 24.866  -10.134 12.812  1.000 63.517  0 78  THR AAA C   1 ? 2  
ATOM   606  O  O   . THR A 1 78  ? 24.857  -8.893  12.716  1.000 68.711  0 78  THR AAA O   1 ? 2  
ATOM   607  C  CB  . THR A 1 78  ? 26.118  -10.710 14.955  1.000 67.965  0 78  THR AAA CB  1 ? 2  
ATOM   608  O  OG1 . THR A 1 78  ? 27.307  -11.368 15.398  1.000 72.793  0 78  THR AAA OG1 1 ? 2  
ATOM   609  C  CG2 . THR A 1 78  ? 24.900  -11.332 15.602  1.000 67.197  0 78  THR AAA CG2 1 ? 2  
ATOM   610  N  N   . VAL A 1 79  ? 23.894  -10.933 12.372  1.000 59.435  0 79  VAL AAA N   1 ? 2  
ATOM   611  C  CA  . VAL A 1 79  ? 22.552  -10.449 11.943  1.000 57.796  0 79  VAL AAA CA  1 ? 2  
ATOM   612  C  C   . VAL A 1 79  ? 21.584  -10.655 13.110  1.000 60.367  0 79  VAL AAA C   1 ? 2  
ATOM   613  O  O   . VAL A 1 79  ? 21.608  -11.748 13.712  1.000 60.844  0 79  VAL AAA O   1 ? 2  
ATOM   614  C  CB  . VAL A 1 79  ? 22.075  -11.178 10.674  1.000 53.815  0 79  VAL AAA CB  1 ? 2  
ATOM   615  C  CG1 . VAL A 1 79  ? 20.633  -10.839 10.320  1.000 53.220  0 79  VAL AAA CG1 1 ? 2  
ATOM   616  C  CG2 . VAL A 1 79  ? 22.999  -10.907 9.493   1.000 55.506  0 79  VAL AAA CG2 1 ? 2  
ATOM   617  N  N   . TYR A 1 80  ? 20.767  -9.637  13.393  1.000 60.714  0 80  TYR AAA N   1 ? 2  
ATOM   618  C  CA  . TYR A 1 80  ? 19.737  -9.640  14.457  1.000 60.778  0 80  TYR AAA CA  1 ? 2  
ATOM   619  C  C   . TYR A 1 80  ? 18.335  -9.588  13.852  1.000 57.664  0 80  TYR AAA C   1 ? 2  
ATOM   620  O  O   . TYR A 1 80  ? 18.121  -8.884  12.851  1.000 61.550  0 80  TYR AAA O   1 ? 2  
ATOM   621  C  CB  . TYR A 1 80  ? 19.929  -8.447  15.392  1.000 64.927  0 80  TYR AAA CB  1 ? 2  
ATOM   622  C  CG  . TYR A 1 80  ? 21.286  -8.399  16.044  1.000 69.474  0 80  TYR AAA CG  1 ? 2  
ATOM   623  C  CD1 . TYR A 1 80  ? 21.532  -9.054  17.241  1.000 72.699  0 80  TYR AAA CD1 1 ? 2  
ATOM   624  C  CD2 . TYR A 1 80  ? 22.331  -7.708  15.449  1.000 70.990  0 80  TYR AAA CD2 1 ? 2  
ATOM   625  C  CE1 . TYR A 1 80  ? 22.782  -9.014  17.837  1.000 75.969  0 80  TYR AAA CE1 1 ? 2  
ATOM   626  C  CE2 . TYR A 1 80  ? 23.585  -7.660  16.031  1.000 77.921  0 80  TYR AAA CE2 1 ? 2  
ATOM   627  C  CZ  . TYR A 1 80  ? 23.809  -8.311  17.232  1.000 76.899  0 80  TYR AAA CZ  1 ? 2  
ATOM   628  O  OH  . TYR A 1 80  ? 25.050  -8.260  17.790  1.000 84.361  0 80  TYR AAA OH  1 ? 2  
ATOM   629  N  N   . LEU A 1 81  ? 17.402  -10.285 14.503  1.000 57.934  0 81  LEU AAA N   1 ? 2  
ATOM   630  C  CA  . LEU A 1 81  ? 15.941  -10.151 14.279  1.000 57.310  0 81  LEU AAA CA  1 ? 2  
ATOM   631  C  C   . LEU A 1 81  ? 15.316  -9.617  15.570  1.000 60.106  0 81  LEU AAA C   1 ? 2  
ATOM   632  O  O   . LEU A 1 81  ? 15.197  -10.389 16.535  1.000 67.724  0 81  LEU AAA O   1 ? 2  
ATOM   633  C  CB  . LEU A 1 81  ? 15.359  -11.511 13.877  1.000 55.176  0 81  LEU AAA CB  1 ? 2  
ATOM   634  C  CG  . LEU A 1 81  ? 13.912  -11.481 13.384  1.000 54.851  0 81  LEU AAA CG  1 ? 2  
ATOM   635  C  CD1 . LEU A 1 81  ? 13.794  -10.744 12.055  1.000 52.334  0 81  LEU AAA CD1 1 ? 2  
ATOM   636  C  CD2 . LEU A 1 81  ? 13.351  -12.889 13.274  1.000 53.200  0 81  LEU AAA CD2 1 ? 2  
ATOM   637  N  N   . GLN A 1 82  ? 14.965  -8.331  15.580  1.000 62.372  0 82  GLN AAA N   1 ? 2  
ATOM   638  C  CA  . GLN A 1 82  ? 14.212  -7.689  16.688  1.000 67.125  0 82  GLN AAA CA  1 ? 2  
ATOM   639  C  C   . GLN A 1 82  ? 12.730  -7.996  16.460  1.000 67.118  0 82  GLN AAA C   1 ? 2  
ATOM   640  O  O   . GLN A 1 82  ? 12.186  -7.549  15.432  1.000 69.082  0 82  GLN AAA O   1 ? 2  
ATOM   641  C  CB  . GLN A 1 82  ? 14.488  -6.185  16.743  1.000 69.571  0 82  GLN AAA CB  1 ? 2  
ATOM   642  C  CG  . GLN A 1 82  ? 13.870  -5.481  17.949  1.000 72.848  0 82  GLN AAA CG  1 ? 2  
ATOM   643  C  CD  . GLN A 1 82  ? 14.316  -6.019  19.289  1.000 76.276  0 82  GLN AAA CD  1 ? 2  
ATOM   644  O  OE1 . GLN A 1 82  ? 13.502  -6.250  20.194  1.000 79.183  0 82  GLN AAA OE1 1 ? 2  
ATOM   645  N  NE2 . GLN A 1 82  ? 15.622  -6.193  19.451  1.000 75.304  0 82  GLN AAA NE2 1 ? 2  
ATOM   646  N  N   . MET A 1 83  ? 12.129  -8.764  17.373  1.000 67.449  0 83  MET AAA N   1 ? 2  
ATOM   647  C  CA  . MET A 1 83  ? 10.704  -9.181  17.343  1.000 66.805  0 83  MET AAA CA  1 ? 2  
ATOM   648  C  C   . MET A 1 83  ? 9.960   -8.434  18.450  1.000 71.019  0 83  MET AAA C   1 ? 2  
ATOM   649  O  O   . MET A 1 83  ? 10.225  -8.714  19.637  1.000 76.411  0 83  MET AAA O   1 ? 2  
ATOM   650  C  CB  . MET A 1 83  ? 10.588  -10.693 17.549  1.000 65.232  0 83  MET AAA CB  1 ? 2  
ATOM   651  C  CG  . MET A 1 83  ? 11.448  -11.484 16.566  1.000 64.036  0 83  MET AAA CG  1 ? 2  
ATOM   652  S  SD  . MET A 1 83  ? 11.191  -13.274 16.652  1.000 69.428  0 83  MET AAA SD  1 ? 2  
ATOM   653  C  CE  . MET A 1 83  ? 11.830  -13.612 18.291  1.000 72.556  0 83  MET AAA CE  1 ? 2  
ATOM   654  N  N   . ASN A 1 84  ? 9.103   -7.489  18.062  1.000 72.152  0 84  ASN AAA N   1 ? 2  
ATOM   655  C  CA  . ASN A 1 84  ? 8.303   -6.643  18.984  1.000 76.155  0 84  ASN AAA CA  1 ? 2  
ATOM   656  C  C   . ASN A 1 84  ? 6.833   -7.034  18.829  1.000 74.465  0 84  ASN AAA C   1 ? 2  
ATOM   657  O  O   . ASN A 1 84  ? 6.530   -7.809  17.891  1.000 72.564  0 84  ASN AAA O   1 ? 2  
ATOM   658  C  CB  . ASN A 1 84  ? 8.566   -5.158  18.723  1.000 80.012  0 84  ASN AAA CB  1 ? 2  
ATOM   659  C  CG  . ASN A 1 84  ? 10.013  -4.773  18.958  1.000 81.300  0 84  ASN AAA CG  1 ? 2  
ATOM   660  O  OD1 . ASN A 1 84  ? 10.759  -5.497  19.621  1.000 80.647  0 84  ASN AAA OD1 1 ? 2  
ATOM   661  N  ND2 . ASN A 1 84  ? 10.424  -3.637  18.417  1.000 84.206  0 84  ASN AAA ND2 1 ? 2  
ATOM   662  N  N   . MET A 1 85  ? 5.970   -6.541  19.727  1.000 79.700  0 85  MET AAA N   1 ? 2  
ATOM   663  C  CA  . MET A 1 85  ? 4.514   -6.852  19.760  1.000 82.241  0 85  MET AAA CA  1 ? 2  
ATOM   664  C  C   . MET A 1 85  ? 4.299   -8.336  19.430  1.000 79.430  0 85  MET AAA C   1 ? 2  
ATOM   665  O  O   . MET A 1 85  ? 3.465   -8.636  18.550  1.000 79.974  0 85  MET AAA O   1 ? 2  
ATOM   666  C  CB  . MET A 1 85  ? 3.744   -6.003  18.744  1.000 85.822  0 85  MET AAA CB  1 ? 2  
ATOM   667  C  CG  . MET A 1 85  ? 3.836   -4.509  18.977  1.000 91.120  0 85  MET AAA CG  1 ? 2  
ATOM   668  S  SD  . MET A 1 85  ? 3.070   -3.592  17.613  1.000 103.380 0 85  MET AAA SD  1 ? 2  
ATOM   669  C  CE  . MET A 1 85  ? 1.461   -4.377  17.506  1.000 101.544 0 85  MET AAA CE  1 ? 2  
ATOM   670  N  N   . LEU A 1 86  ? 5.032   -9.233  20.097  1.000 78.292  0 86  LEU AAA N   1 ? 2  
ATOM   671  C  CA  . LEU A 1 86  ? 4.958   -10.698 19.848  1.000 75.218  0 86  LEU AAA CA  1 ? 2  
ATOM   672  C  C   . LEU A 1 86  ? 3.553   -11.209 20.183  1.000 78.123  0 86  LEU AAA C   1 ? 2  
ATOM   673  O  O   . LEU A 1 86  ? 2.933   -10.692 21.137  1.000 81.811  0 86  LEU AAA O   1 ? 2  
ATOM   674  C  CB  . LEU A 1 86  ? 6.026   -11.430 20.668  1.000 75.236  0 86  LEU AAA CB  1 ? 2  
ATOM   675  C  CG  . LEU A 1 86  ? 7.411   -11.500 20.026  1.000 72.246  0 86  LEU AAA CG  1 ? 2  
ATOM   676  C  CD1 . LEU A 1 86  ? 8.443   -12.004 21.023  1.000 74.501  0 86  LEU AAA CD1 1 ? 2  
ATOM   677  C  CD2 . LEU A 1 86  ? 7.398   -12.377 18.782  1.000 67.622  0 86  LEU AAA CD2 1 ? 2  
ATOM   678  N  N   . LYS A 1 87  ? 3.080   -12.188 19.407  1.000 76.145  0 87  LYS AAA N   1 ? 2  
ATOM   679  C  CA  . LYS A 1 87  ? 1.727   -12.790 19.531  1.000 78.598  0 87  LYS AAA CA  1 ? 2  
ATOM   680  C  C   . LYS A 1 87  ? 1.870   -14.304 19.663  1.000 76.159  0 87  LYS AAA C   1 ? 2  
ATOM   681  O  O   . LYS A 1 87  ? 2.916   -14.861 19.318  1.000 71.052  0 87  LYS AAA O   1 ? 2  
ATOM   682  C  CB  . LYS A 1 87  ? 0.879   -12.372 18.326  1.000 79.570  0 87  LYS AAA CB  1 ? 2  
ATOM   683  C  CG  . LYS A 1 87  ? 0.617   -10.874 18.236  1.000 83.048  0 87  LYS AAA CG  1 ? 2  
ATOM   684  C  CD  . LYS A 1 87  ? -0.394  -10.491 17.187  1.000 83.547  0 87  LYS AAA CD  1 ? 2  
ATOM   685  C  CE  . LYS A 1 87  ? 0.053   -10.846 15.786  1.000 80.118  0 87  LYS AAA CE  1 ? 2  
ATOM   686  N  NZ  . LYS A 1 87  ? -0.971  -10.469 14.787  1.000 82.172  0 87  LYS AAA NZ  1 ? 2  
ATOM   687  N  N   . PRO A 1 88  ? 0.829   -15.013 20.163  1.000 77.644  0 88  PRO AAA N   1 ? 2  
ATOM   688  C  CA  . PRO A 1 88  ? 0.886   -16.466 20.333  1.000 78.240  0 88  PRO AAA CA  1 ? 2  
ATOM   689  C  C   . PRO A 1 88  ? 1.224   -17.230 19.042  1.000 73.425  0 88  PRO AAA C   1 ? 2  
ATOM   690  O  O   . PRO A 1 88  ? 1.855   -18.262 19.142  1.000 72.035  0 88  PRO AAA O   1 ? 2  
ATOM   691  C  CB  . PRO A 1 88  ? -0.527  -16.835 20.817  1.000 82.398  0 88  PRO AAA CB  1 ? 2  
ATOM   692  C  CG  . PRO A 1 88  ? -1.039  -15.561 21.457  1.000 85.996  0 88  PRO AAA CG  1 ? 2  
ATOM   693  C  CD  . PRO A 1 88  ? -0.462  -14.455 20.594  1.000 83.409  0 88  PRO AAA CD  1 ? 2  
ATOM   694  N  N   . GLU A 1 89  ? 0.819   -16.700 17.882  1.000 72.389  0 89  GLU AAA N   1 ? 2  
ATOM   695  C  CA  . GLU A 1 89  ? 1.054   -17.305 16.541  1.000 70.149  0 89  GLU AAA CA  1 ? 2  
ATOM   696  C  C   . GLU A 1 89  ? 2.551   -17.274 16.179  1.000 64.514  0 89  GLU AAA C   1 ? 2  
ATOM   697  O  O   . GLU A 1 89  ? 2.928   -17.982 15.214  1.000 68.589  0 89  GLU AAA O   1 ? 2  
ATOM   698  C  CB  . GLU A 1 89  ? 0.237   -16.571 15.472  1.000 72.402  0 89  GLU AAA CB  1 ? 2  
ATOM   699  C  CG  . GLU A 1 89  ? 0.792   -15.201 15.102  1.000 73.267  0 89  GLU AAA CG  1 ? 2  
ATOM   700  C  CD  . GLU A 1 89  ? -0.041  -14.405 14.109  1.000 75.461  0 89  GLU AAA CD  1 ? 2  
ATOM   701  O  OE1 . GLU A 1 89  ? -1.246  -14.211 14.373  1.000 80.382  0 89  GLU AAA OE1 1 ? 2  
ATOM   702  O  OE2 . GLU A 1 89  ? 0.518   -13.980 13.068  1.000 75.064  0 89  GLU AAA OE2 1 ? 2  
ATOM   703  N  N   . ASP A 1 90  ? 3.363   -16.471 16.886  1.000 62.599  0 90  ASP AAA N   1 ? 2  
ATOM   704  C  CA  . ASP A 1 90  ? 4.828   -16.333 16.656  1.000 59.935  0 90  ASP AAA CA  1 ? 2  
ATOM   705  C  C   . ASP A 1 90  ? 5.595   -17.439 17.394  1.000 59.627  0 90  ASP AAA C   1 ? 2  
ATOM   706  O  O   . ASP A 1 90  ? 6.835   -17.512 17.232  1.000 59.550  0 90  ASP AAA O   1 ? 2  
ATOM   707  C  CB  . ASP A 1 90  ? 5.344   -14.958 17.091  1.000 61.377  0 90  ASP AAA CB  1 ? 2  
ATOM   708  C  CG  . ASP A 1 90  ? 4.718   -13.791 16.344  1.000 62.601  0 90  ASP AAA CG  1 ? 2  
ATOM   709  O  OD1 . ASP A 1 90  ? 4.602   -13.874 15.093  1.000 62.347  0 90  ASP AAA OD1 1 ? 2  
ATOM   710  O  OD2 . ASP A 1 90  ? 4.357   -12.799 17.015  1.000 66.129  0 90  ASP AAA OD2 1 ? 2  
ATOM   711  N  N   . THR A 1 91  ? 4.911   -18.252 18.206  1.000 61.793  0 91  THR AAA N   1 ? 2  
ATOM   712  C  CA  . THR A 1 91  ? 5.551   -19.384 18.925  1.000 60.844  0 91  THR AAA CA  1 ? 2  
ATOM   713  C  C   . THR A 1 91  ? 6.021   -20.410 17.895  1.000 58.517  0 91  THR AAA C   1 ? 2  
ATOM   714  O  O   . THR A 1 91  ? 5.190   -20.783 17.049  1.000 62.426  0 91  THR AAA O   1 ? 2  
ATOM   715  C  CB  . THR A 1 91  ? 4.617   -20.014 19.963  1.000 63.864  0 91  THR AAA CB  1 ? 2  
ATOM   716  O  OG1 . THR A 1 91  ? 4.434   -19.017 20.964  1.000 66.970  0 91  THR AAA OG1 1 ? 2  
ATOM   717  C  CG2 . THR A 1 91  ? 5.173   -21.286 20.562  1.000 64.456  0 91  THR AAA CG2 1 ? 2  
ATOM   718  N  N   . ALA A 1 92  ? 7.284   -20.837 17.997  1.000 58.536  0 92  ALA AAA N   1 ? 2  
ATOM   719  C  CA  . ALA A 1 92  ? 7.991   -21.710 17.029  1.000 55.489  0 92  ALA AAA CA  1 ? 2  
ATOM   720  C  C   . ALA A 1 92  ? 9.463   -21.840 17.434  1.000 56.345  0 92  ALA AAA C   1 ? 2  
ATOM   721  O  O   . ALA A 1 92  ? 9.917   -21.043 18.276  1.000 60.505  0 92  ALA AAA O   1 ? 2  
ATOM   722  C  CB  . ALA A 1 92  ? 7.886   -21.135 15.627  1.000 53.290  0 92  ALA AAA CB  1 ? 2  
ATOM   723  N  N   . ILE A 1 93  ? 10.181  -22.796 16.833  1.000 55.904  0 93  ILE AAA N   1 ? 2  
ATOM   724  C  CA  . ILE A 1 93  ? 11.673  -22.858 16.848  1.000 56.392  0 93  ILE AAA CA  1 ? 2  
ATOM   725  C  C   . ILE A 1 93  ? 12.158  -21.989 15.680  1.000 53.832  0 93  ILE AAA C   1 ? 2  
ATOM   726  O  O   . ILE A 1 93  ? 11.700  -22.238 14.541  1.000 51.256  0 93  ILE AAA O   1 ? 2  
ATOM   727  C  CB  . ILE A 1 93  ? 12.183  -24.313 16.746  1.000 60.383  0 93  ILE AAA CB  1 ? 2  
ATOM   728  C  CG1 . ILE A 1 93  ? 11.609  -25.197 17.854  1.000 65.086  0 93  ILE AAA CG1 1 ? 2  
ATOM   729  C  CG2 . ILE A 1 93  ? 13.706  -24.367 16.734  1.000 60.131  0 93  ILE AAA CG2 1 ? 2  
ATOM   730  C  CD1 . ILE A 1 93  ? 11.621  -26.674 17.526  1.000 64.907  0 93  ILE AAA CD1 1 ? 2  
ATOM   731  N  N   . TYR A 1 94  ? 13.010  -20.997 15.964  1.000 52.343  0 94  TYR AAA N   1 ? 2  
ATOM   732  C  CA  . TYR A 1 94  ? 13.535  -20.022 14.973  1.000 48.794  0 94  TYR AAA CA  1 ? 2  
ATOM   733  C  C   . TYR A 1 94  ? 14.947  -20.458 14.577  1.000 49.532  0 94  TYR AAA C   1 ? 2  
ATOM   734  O  O   . TYR A 1 94  ? 15.784  -20.695 15.448  1.000 54.883  0 94  TYR AAA O   1 ? 2  
ATOM   735  C  CB  . TYR A 1 94  ? 13.478  -18.585 15.503  1.000 49.370  0 94  TYR AAA CB  1 ? 2  
ATOM   736  C  CG  . TYR A 1 94  ? 12.098  -17.971 15.488  1.000 49.242  0 94  TYR AAA CG  1 ? 2  
ATOM   737  C  CD1 . TYR A 1 94  ? 11.087  -18.470 16.297  1.000 50.613  0 94  TYR AAA CD1 1 ? 2  
ATOM   738  C  CD2 . TYR A 1 94  ? 11.795  -16.893 14.666  1.000 49.091  0 94  TYR AAA CD2 1 ? 2  
ATOM   739  C  CE1 . TYR A 1 94  ? 9.813   -17.929 16.277  1.000 51.033  0 94  TYR AAA CE1 1 ? 2  
ATOM   740  C  CE2 . TYR A 1 94  ? 10.524  -16.333 14.644  1.000 49.786  0 94  TYR AAA CE2 1 ? 2  
ATOM   741  C  CZ  . TYR A 1 94  ? 9.529   -16.852 15.460  1.000 50.305  0 94  TYR AAA CZ  1 ? 2  
ATOM   742  O  OH  . TYR A 1 94  ? 8.272   -16.321 15.460  1.000 54.891  0 94  TYR AAA OH  1 ? 2  
ATOM   743  N  N   . TYR A 1 95  ? 15.163  -20.610 13.265  1.000 46.830  0 95  TYR AAA N   1 ? 2  
ATOM   744  C  CA  . TYR A 1 95  ? 16.456  -20.959 12.629  1.000 45.767  0 95  TYR AAA CA  1 ? 2  
ATOM   745  C  C   . TYR A 1 95  ? 16.948  -19.764 11.807  1.000 47.517  0 95  TYR AAA C   1 ? 2  
ATOM   746  O  O   . TYR A 1 95  ? 16.108  -19.107 11.150  1.000 49.999  0 95  TYR AAA O   1 ? 2  
ATOM   747  C  CB  . TYR A 1 95  ? 16.284  -22.138 11.669  1.000 43.733  0 95  TYR AAA CB  1 ? 2  
ATOM   748  C  CG  . TYR A 1 95  ? 15.824  -23.421 12.307  1.000 47.606  0 95  TYR AAA CG  1 ? 2  
ATOM   749  C  CD1 . TYR A 1 95  ? 14.477  -23.673 12.502  1.000 49.699  0 95  TYR AAA CD1 1 ? 2  
ATOM   750  C  CD2 . TYR A 1 95  ? 16.732  -24.393 12.699  1.000 50.757  0 95  TYR AAA CD2 1 ? 2  
ATOM   751  C  CE1 . TYR A 1 95  ? 14.040  -24.849 13.096  1.000 54.363  0 95  TYR AAA CE1 1 ? 2  
ATOM   752  C  CE2 . TYR A 1 95  ? 16.313  -25.576 13.288  1.000 53.473  0 95  TYR AAA CE2 1 ? 2  
ATOM   753  C  CZ  . TYR A 1 95  ? 14.961  -25.807 13.482  1.000 55.939  0 95  TYR AAA CZ  1 ? 2  
ATOM   754  O  OH  . TYR A 1 95  ? 14.521  -26.964 14.059  1.000 63.133  0 95  TYR AAA OH  1 ? 2  
ATOM   755  N  N   . CYS A 1 96  ? 18.250  -19.468 11.847  1.000 47.572  0 96  CYS AAA N   1 ? 2  
ATOM   756  C  CA  . CYS A 1 96  ? 18.887  -18.633 10.801  1.000 46.611  0 96  CYS AAA CA  1 ? 2  
ATOM   757  C  C   . CYS A 1 96  ? 19.522  -19.592 9.788   1.000 46.464  0 96  CYS AAA C   1 ? 2  
ATOM   758  O  O   . CYS A 1 96  ? 19.908  -20.740 10.147  1.000 48.941  0 96  CYS AAA O   1 ? 2  
ATOM   759  C  CB  . CYS A 1 96  ? 19.842  -17.577 11.346  1.000 55.139  0 96  CYS AAA CB  1 ? 2  
ATOM   760  S  SG  . CYS A 1 96  ? 21.402  -18.223 11.998  1.000 63.167  0 96  CYS AAA SG  1 ? 2  
ATOM   761  N  N   . ALA A 1 97  ? 19.543  -19.167 8.535   1.000 43.689  0 97  ALA AAA N   1 ? 2  
ATOM   762  C  CA  . ALA A 1 97  ? 20.090  -19.968 7.428   1.000 41.235  0 97  ALA AAA CA  1 ? 2  
ATOM   763  C  C   . ALA A 1 97  ? 20.868  -19.017 6.529   1.000 42.300  0 97  ALA AAA C   1 ? 2  
ATOM   764  O  O   . ALA A 1 97  ? 20.503  -17.829 6.520   1.000 41.505  0 97  ALA AAA O   1 ? 2  
ATOM   765  C  CB  . ALA A 1 97  ? 18.967  -20.660 6.700   1.000 42.066  0 97  ALA AAA CB  1 ? 2  
ATOM   766  N  N   . ALA A 1 98  ? 21.918  -19.511 5.866   1.000 42.713  0 98  ALA AAA N   1 ? 2  
ATOM   767  C  CA  . ALA A 1 98  ? 22.782  -18.707 4.977   1.000 40.454  0 98  ALA AAA CA  1 ? 2  
ATOM   768  C  C   . ALA A 1 98  ? 22.901  -19.414 3.632   1.000 39.111  0 98  ALA AAA C   1 ? 2  
ATOM   769  O  O   . ALA A 1 98  ? 22.912  -20.663 3.594   1.000 40.543  0 98  ALA AAA O   1 ? 2  
ATOM   770  C  CB  . ALA A 1 98  ? 24.145  -18.468 5.566   1.000 45.458  0 98  ALA AAA CB  1 ? 2  
ATOM   771  N  N   . GLY A 1 99  ? 22.996  -18.606 2.584   1.000 38.287  0 99  GLY AAA N   1 ? 2  
ATOM   772  C  CA  . GLY A 1 99  ? 23.328  -19.062 1.223   1.000 38.891  0 99  GLY AAA CA  1 ? 2  
ATOM   773  C  C   . GLY A 1 99  ? 24.309  -18.107 0.572   1.000 40.615  0 99  GLY AAA C   1 ? 2  
ATOM   774  O  O   . GLY A 1 99  ? 24.251  -16.898 0.894   1.000 44.428  0 99  GLY AAA O   1 ? 2  
ATOM   775  N  N   . ARG A 1 100 ? 25.148  -18.632 -0.334  1.000 40.186  0 100 ARG AAA N   1 ? 2  
ATOM   776  C  CA  . ARG A 1 100 ? 26.167  -17.863 -1.096  1.000 41.582  0 100 ARG AAA CA  1 ? 2  
ATOM   777  C  C   . ARG A 1 100 ? 25.496  -17.207 -2.306  1.000 40.060  0 100 ARG AAA C   1 ? 2  
ATOM   778  O  O   . ARG A 1 100 ? 25.860  -17.536 -3.453  1.000 40.887  0 100 ARG AAA O   1 ? 2  
ATOM   779  C  CB  . ARG A 1 100 ? 27.309  -18.773 -1.549  1.000 44.161  0 100 ARG AAA CB  1 ? 2  
ATOM   780  C  CG  . ARG A 1 100 ? 28.136  -19.347 -0.412  1.000 50.209  0 100 ARG AAA CG  1 ? 2  
ATOM   781  C  CD  . ARG A 1 100 ? 29.218  -20.259 -0.953  1.000 55.533  0 100 ARG AAA CD  1 ? 2  
ATOM   782  N  NE  . ARG A 1 100 ? 29.882  -20.943 0.142   1.000 60.933  0 100 ARG AAA NE  1 ? 2  
ATOM   783  C  CZ  . ARG A 1 100 ? 30.801  -20.400 0.935   1.000 64.922  0 100 ARG AAA CZ  1 ? 2  
ATOM   784  N  NH1 . ARG A 1 100 ? 31.191  -19.146 0.758   1.000 66.907  0 100 ARG AAA NH1 1 ? 2  
ATOM   785  N  NH2 . ARG A 1 100 ? 31.332  -21.124 1.908   1.000 69.868  0 100 ARG AAA NH2 1 ? 2  
ATOM   786  N  N   . PHE A 1 101 ? 24.571  -16.290 -2.043  1.000 38.396  0 101 PHE AAA N   1 ? 2  
ATOM   787  C  CA  . PHE A 1 101 ? 23.879  -15.487 -3.074  1.000 36.160  0 101 PHE AAA CA  1 ? 2  
ATOM   788  C  C   . PHE A 1 101 ? 23.425  -14.166 -2.470  1.000 37.171  0 101 PHE AAA C   1 ? 2  
ATOM   789  O  O   . PHE A 1 101 ? 23.391  -14.038 -1.199  1.000 39.051  0 101 PHE AAA O   1 ? 2  
ATOM   790  C  CB  . PHE A 1 101 ? 22.708  -16.277 -3.661  1.000 32.768  0 101 PHE AAA CB  1 ? 2  
ATOM   791  C  CG  . PHE A 1 101 ? 21.744  -16.820 -2.641  1.000 32.423  0 101 PHE AAA CG  1 ? 2  
ATOM   792  C  CD1 . PHE A 1 101 ? 20.786  -16.001 -2.062  1.000 32.810  0 101 PHE AAA CD1 1 ? 2  
ATOM   793  C  CD2 . PHE A 1 101 ? 21.793  -18.152 -2.264  1.000 32.034  0 101 PHE AAA CD2 1 ? 2  
ATOM   794  C  CE1 . PHE A 1 101 ? 19.894  -16.505 -1.119  1.000 32.970  0 101 PHE AAA CE1 1 ? 2  
ATOM   795  C  CE2 . PHE A 1 101 ? 20.912  -18.653 -1.320  1.000 31.995  0 101 PHE AAA CE2 1 ? 2  
ATOM   796  C  CZ  . PHE A 1 101 ? 19.959  -17.830 -0.753  1.000 32.584  0 101 PHE AAA CZ  1 ? 2  
ATOM   797  N  N   . ALA A 1 102 ? 23.131  -13.191 -3.327  1.000 37.905  0 102 ALA AAA N   1 ? 2  
ATOM   798  C  CA  . ALA A 1 102 ? 22.509  -11.913 -2.930  1.000 37.759  0 102 ALA AAA CA  1 ? 2  
ATOM   799  C  C   . ALA A 1 102 ? 21.007  -12.029 -3.144  1.000 35.566  0 102 ALA AAA C   1 ? 2  
ATOM   800  O  O   . ALA A 1 102 ? 20.560  -12.003 -4.310  1.000 36.315  0 102 ALA AAA O   1 ? 2  
ATOM   801  C  CB  . ALA A 1 102 ? 23.106  -10.766 -3.692  1.000 39.542  0 102 ALA AAA CB  1 ? 2  
ATOM   802  N  N   . GLY A 1 103 ? 20.229  -12.268 -2.093  1.000 35.498  0 103 GLY AAA N   1 ? 2  
ATOM   803  C  CA  . GLY A 1 103 ? 18.768  -12.290 -2.245  1.000 33.275  0 103 GLY AAA CA  1 ? 2  
ATOM   804  C  C   . GLY A 1 103 ? 18.068  -13.145 -1.212  1.000 31.916  0 103 GLY AAA C   1 ? 2  
ATOM   805  O  O   . GLY A 1 103 ? 18.498  -13.148 -0.011  1.000 35.350  0 103 GLY AAA O   1 ? 2  
ATOM   806  N  N   . ARG A 1 104 ? 17.008  -13.822 -1.634  1.000 31.519  0 104 ARG AAA N   1 ? 2  
ATOM   807  C  CA  . ARG A 1 104 ? 15.988  -14.375 -0.717  1.000 31.572  0 104 ARG AAA CA  1 ? 2  
ATOM   808  C  C   . ARG A 1 104 ? 15.321  -15.583 -1.363  1.000 30.850  0 104 ARG AAA C   1 ? 2  
ATOM   809  O  O   . ARG A 1 104 ? 15.143  -15.585 -2.611  1.000 30.599  0 104 ARG AAA O   1 ? 2  
ATOM   810  C  CB  . ARG A 1 104 ? 14.963  -13.286 -0.389  1.000 33.166  0 104 ARG AAA CB  1 ? 2  
ATOM   811  C  CG  . ARG A 1 104 ? 14.248  -12.700 -1.598  1.000 33.085  0 104 ARG AAA CG  1 ? 2  
ATOM   812  C  CD  . ARG A 1 104 ? 13.396  -11.509 -1.222  1.000 37.941  0 104 ARG AAA CD  1 ? 2  
ATOM   813  N  NE  . ARG A 1 104 ? 12.768  -10.823 -2.358  1.000 37.400  0 104 ARG AAA NE  1 ? 2  
ATOM   814  C  CZ  . ARG A 1 104 ? 11.653  -11.226 -2.947  1.000 35.267  0 104 ARG AAA CZ  1 ? 2  
ATOM   815  N  NH1 . ARG A 1 104 ? 11.065  -12.334 -2.530  1.000 37.164  0 104 ARG AAA NH1 1 ? 2  
ATOM   816  N  NH2 . ARG A 1 104 ? 11.124  -10.526 -3.939  1.000 36.255  0 104 ARG AAA NH2 1 ? 2  
ATOM   817  N  N   . ASP A 1 105 ? 14.909  -16.554 -0.548  1.000 30.068  0 105 ASP AAA N   1 ? 2  
ATOM   818  C  CA  . ASP A 1 105 ? 14.180  -17.745 -1.042  1.000 29.858  0 105 ASP AAA CA  1 ? 2  
ATOM   819  C  C   . ASP A 1 105 ? 13.263  -18.254 0.074   1.000 30.766  0 105 ASP AAA C   1 ? 2  
ATOM   820  O  O   . ASP A 1 105 ? 13.693  -18.253 1.231   1.000 33.480  0 105 ASP AAA O   1 ? 2  
ATOM   821  C  CB  . ASP A 1 105 ? 15.168  -18.806 -1.536  1.000 29.356  0 105 ASP AAA CB  1 ? 2  
ATOM   822  C  CG  . ASP A 1 105 ? 14.578  -19.788 -2.535  1.000 28.961  0 105 ASP AAA CG  1 ? 2  
ATOM   823  O  OD1 . ASP A 1 105 ? 13.341  -19.913 -2.571  1.000 29.903  0 105 ASP AAA OD1 1 ? 2  
ATOM   824  O  OD2 . ASP A 1 105 ? 15.376  -20.397 -3.286  1.000 31.083  0 105 ASP AAA OD2 1 ? 2  
ATOM   825  N  N   . THR A 1 106 ? 12.047  -18.665 -0.278  1.000 30.928  0 106 THR AAA N   1 ? 2  
ATOM   826  C  CA  . THR A 1 106 ? 11.077  -19.293 0.649   1.000 31.026  0 106 THR AAA CA  1 ? 2  
ATOM   827  C  C   . THR A 1 106 ? 11.444  -20.759 0.886   1.000 31.178  0 106 THR AAA C   1 ? 2  
ATOM   828  O  O   . THR A 1 106 ? 10.920  -21.301 1.834   1.000 32.030  0 106 THR AAA O   1 ? 2  
ATOM   829  C  CB  . THR A 1 106 ? 9.626   -19.179 0.167   1.000 32.944  0 106 THR AAA CB  1 ? 2  
ATOM   830  O  OG1 . THR A 1 106 ? 9.512   -19.710 -1.157  1.000 30.314  0 106 THR AAA OG1 1 ? 2  
ATOM   831  C  CG2 . THR A 1 106 ? 9.105   -17.760 0.186   1.000 36.081  0 106 THR AAA CG2 1 ? 2  
ATOM   832  N  N   . TRP A 1 107 ? 12.247  -21.400 0.022   1.000 31.167  0 107 TRP AAA N   1 ? 2  
ATOM   833  C  CA  . TRP A 1 107 ? 12.563  -22.853 0.131   1.000 30.261  0 107 TRP AAA CA  1 ? 2  
ATOM   834  C  C   . TRP A 1 107 ? 13.700  -23.083 1.122   1.000 30.569  0 107 TRP AAA C   1 ? 2  
ATOM   835  O  O   . TRP A 1 107 ? 14.810  -22.607 0.899   1.000 31.882  0 107 TRP AAA O   1 ? 2  
ATOM   836  C  CB  . TRP A 1 107 ? 12.882  -23.473 -1.243  1.000 29.657  0 107 TRP AAA CB  1 ? 2  
ATOM   837  C  CG  . TRP A 1 107 ? 11.662  -23.510 -2.109  1.000 29.603  0 107 TRP AAA CG  1 ? 2  
ATOM   838  C  CD1 . TRP A 1 107 ? 11.229  -22.537 -2.967  1.000 29.304  0 107 TRP AAA CD1 1 ? 2  
ATOM   839  C  CD2 . TRP A 1 107 ? 10.643  -24.516 -2.086  1.000 31.580  0 107 TRP AAA CD2 1 ? 2  
ATOM   840  N  NE1 . TRP A 1 107 ? 10.023  -22.889 -3.506  1.000 31.686  0 107 TRP AAA NE1 1 ? 2  
ATOM   841  C  CE2 . TRP A 1 107 ? 9.627   -24.088 -2.963  1.000 33.598  0 107 TRP AAA CE2 1 ? 2  
ATOM   842  C  CE3 . TRP A 1 107 ? 10.493  -25.738 -1.420  1.000 35.072  0 107 TRP AAA CE3 1 ? 2  
ATOM   843  C  CZ2 . TRP A 1 107 ? 8.472   -24.833 -3.163  1.000 38.162  0 107 TRP AAA CZ2 1 ? 2  
ATOM   844  C  CZ3 . TRP A 1 107 ? 9.371   -26.490 -1.665  1.000 38.438  0 107 TRP AAA CZ3 1 ? 2  
ATOM   845  C  CH2 . TRP A 1 107 ? 8.371   -26.037 -2.517  1.000 41.240  0 107 TRP AAA CH2 1 ? 2  
ATOM   846  N  N   . PRO A 1 108 ? 13.485  -23.834 2.231   1.000 31.869  0 108 PRO AAA N   1 ? 2  
ATOM   847  C  CA  . PRO A 1 108 ? 14.598  -24.202 3.114   1.000 33.615  0 108 PRO AAA CA  1 ? 2  
ATOM   848  C  C   . PRO A 1 108 ? 15.726  -24.940 2.376   1.000 34.194  0 108 PRO AAA C   1 ? 2  
ATOM   849  O  O   . PRO A 1 108 ? 16.891  -24.729 2.663   1.000 36.630  0 108 PRO AAA O   1 ? 2  
ATOM   850  C  CB  . PRO A 1 108 ? 13.941  -25.118 4.164   1.000 36.732  0 108 PRO AAA CB  1 ? 2  
ATOM   851  C  CG  . PRO A 1 108 ? 12.502  -24.664 4.189   1.000 36.675  0 108 PRO AAA CG  1 ? 2  
ATOM   852  C  CD  . PRO A 1 108 ? 12.181  -24.270 2.760   1.000 32.851  0 108 PRO AAA CD  1 ? 2  
ATOM   853  N  N   . SER A 1 109 ? 15.346  -25.780 1.411   1.000 34.213  0 109 SER AAA N   1 ? 2  
ATOM   854  C  CA  . SER A 1 109 ? 16.277  -26.582 0.582   1.000 33.969  0 109 SER AAA CA  1 ? 2  
ATOM   855  C  C   . SER A 1 109 ? 17.248  -25.669 -0.183  1.000 32.379  0 109 SER AAA C   1 ? 2  
ATOM   856  O  O   . SER A 1 109 ? 18.289  -26.182 -0.630  1.000 34.934  0 109 SER AAA O   1 ? 2  
ATOM   857  C  CB  . SER A 1 109 ? 15.501  -27.481 -0.342  1.000 33.368  0 109 SER AAA CB  1 ? 2  
ATOM   858  O  OG  . SER A 1 109 ? 14.603  -26.720 -1.147  1.000 34.156  0 109 SER AAA OG  1 ? 2  
ATOM   859  N  N   . SER A 1 110 ? 16.946  -24.372 -0.329  1.000 31.434  0 110 SER AAA N   1 ? 2  
ATOM   860  C  CA  . SER A 1 110 ? 17.810  -23.403 -1.061  1.000 30.887  0 110 SER AAA CA  1 ? 2  
ATOM   861  C  C   . SER A 1 110 ? 18.921  -22.839 -0.176  1.000 31.541  0 110 SER AAA C   1 ? 2  
ATOM   862  O  O   . SER A 1 110 ? 19.803  -22.153 -0.718  1.000 36.062  0 110 SER AAA O   1 ? 2  
ATOM   863  C  CB  . SER A 1 110 ? 16.999  -22.294 -1.660  1.000 29.273  0 110 SER AAA CB  1 ? 2  
ATOM   864  O  OG  . SER A 1 110 ? 16.236  -22.792 -2.742  1.000 29.547  0 110 SER AAA OG  1 ? 2  
ATOM   865  N  N   . TYR A 1 111 ? 18.902  -23.152 1.130   1.000 34.949  0 111 TYR AAA N   1 ? 2  
ATOM   866  C  CA  . TYR A 1 111 ? 19.918  -22.689 2.108   1.000 35.178  0 111 TYR AAA CA  1 ? 2  
ATOM   867  C  C   . TYR A 1 111 ? 20.765  -23.887 2.542   1.000 37.286  0 111 TYR AAA C   1 ? 2  
ATOM   868  O  O   . TYR A 1 111 ? 20.224  -24.894 3.029   1.000 40.188  0 111 TYR AAA O   1 ? 2  
ATOM   869  C  CB  . TYR A 1 111 ? 19.238  -21.970 3.271   1.000 34.623  0 111 TYR AAA CB  1 ? 2  
ATOM   870  C  CG  . TYR A 1 111 ? 18.628  -20.647 2.888   1.000 34.998  0 111 TYR AAA CG  1 ? 2  
ATOM   871  C  CD1 . TYR A 1 111 ? 17.346  -20.578 2.351   1.000 32.732  0 111 TYR AAA CD1 1 ? 2  
ATOM   872  C  CD2 . TYR A 1 111 ? 19.336  -19.464 3.016   1.000 35.128  0 111 TYR AAA CD2 1 ? 2  
ATOM   873  C  CE1 . TYR A 1 111 ? 16.779  -19.370 1.974   1.000 32.715  0 111 TYR AAA CE1 1 ? 2  
ATOM   874  C  CE2 . TYR A 1 111 ? 18.790  -18.249 2.616   1.000 35.077  0 111 TYR AAA CE2 1 ? 2  
ATOM   875  C  CZ  . TYR A 1 111 ? 17.506  -18.202 2.094   1.000 33.661  0 111 TYR AAA CZ  1 ? 2  
ATOM   876  O  OH  . TYR A 1 111 ? 16.945  -17.017 1.705   1.000 33.757  0 111 TYR AAA OH  1 ? 2  
ATOM   877  N  N   . ASP A 1 112 ? 22.075  -23.780 2.341   1.000 39.198  0 112 ASP AAA N   1 ? 2  
ATOM   878  C  CA  . ASP A 1 112 ? 23.032  -24.882 2.605   1.000 43.144  0 112 ASP AAA CA  1 ? 2  
ATOM   879  C  C   . ASP A 1 112 ? 23.558  -24.804 4.032   1.000 44.377  0 112 ASP AAA C   1 ? 2  
ATOM   880  O  O   . ASP A 1 112 ? 24.151  -25.803 4.455   1.000 48.766  0 112 ASP AAA O   1 ? 2  
ATOM   881  C  CB  . ASP A 1 112 ? 24.218  -24.842 1.643   1.000 46.759  0 112 ASP AAA CB  1 ? 2  
ATOM   882  C  CG  . ASP A 1 112 ? 23.831  -25.206 0.232   1.000 47.596  0 112 ASP AAA CG  1 ? 2  
ATOM   883  O  OD1 . ASP A 1 112 ? 22.777  -25.845 0.063   1.000 49.046  0 112 ASP AAA OD1 1 ? 2  
ATOM   884  O  OD2 . ASP A 1 112 ? 24.577  -24.826 -0.676  1.000 52.787  0 112 ASP AAA OD2 1 ? 2  
ATOM   885  N  N   . TYR A 1 113 ? 23.376  -23.674 4.724   1.000 43.242  0 113 TYR AAA N   1 ? 2  
ATOM   886  C  CA  . TYR A 1 113 ? 23.976  -23.426 6.065   1.000 44.671  0 113 TYR AAA CA  1 ? 2  
ATOM   887  C  C   . TYR A 1 113 ? 22.884  -23.026 7.055   1.000 44.770  0 113 TYR AAA C   1 ? 2  
ATOM   888  O  O   . TYR A 1 113 ? 22.063  -22.147 6.738   1.000 45.523  0 113 TYR AAA O   1 ? 2  
ATOM   889  C  CB  . TYR A 1 113 ? 25.081  -22.371 5.990   1.000 46.347  0 113 TYR AAA CB  1 ? 2  
ATOM   890  C  CG  . TYR A 1 113 ? 26.100  -22.645 4.908   1.000 47.877  0 113 TYR AAA CG  1 ? 2  
ATOM   891  C  CD1 . TYR A 1 113 ? 27.012  -23.683 5.025   1.000 50.245  0 113 TYR AAA CD1 1 ? 2  
ATOM   892  C  CD2 . TYR A 1 113 ? 26.126  -21.889 3.750   1.000 48.278  0 113 TYR AAA CD2 1 ? 2  
ATOM   893  C  CE1 . TYR A 1 113 ? 27.949  -23.939 4.039   1.000 52.537  0 113 TYR AAA CE1 1 ? 2  
ATOM   894  C  CE2 . TYR A 1 113 ? 27.045  -22.141 2.744   1.000 50.650  0 113 TYR AAA CE2 1 ? 2  
ATOM   895  C  CZ  . TYR A 1 113 ? 27.956  -23.172 2.888   1.000 51.754  0 113 TYR AAA CZ  1 ? 2  
ATOM   896  O  OH  . TYR A 1 113 ? 28.861  -23.417 1.903   1.000 56.451  0 113 TYR AAA OH  1 ? 2  
ATOM   897  N  N   . TRP A 1 114 ? 22.925  -23.629 8.248   1.000 46.826  0 114 TRP AAA N   1 ? 2  
ATOM   898  C  CA  . TRP A 1 114 ? 21.828  -23.555 9.243   1.000 47.613  0 114 TRP AAA CA  1 ? 2  
ATOM   899  C  C   . TRP A 1 114 ? 22.412  -23.411 10.639  1.000 53.391  0 114 TRP AAA C   1 ? 2  
ATOM   900  O  O   . TRP A 1 114 ? 23.370  -24.140 10.970  1.000 54.175  0 114 TRP AAA O   1 ? 2  
ATOM   901  C  CB  . TRP A 1 114 ? 20.919  -24.785 9.150   1.000 48.855  0 114 TRP AAA CB  1 ? 2  
ATOM   902  C  CG  . TRP A 1 114 ? 20.075  -24.792 7.913   1.000 45.452  0 114 TRP AAA CG  1 ? 2  
ATOM   903  C  CD1 . TRP A 1 114 ? 20.394  -25.302 6.689   1.000 44.096  0 114 TRP AAA CD1 1 ? 2  
ATOM   904  C  CD2 . TRP A 1 114 ? 18.755  -24.244 7.783   1.000 43.538  0 114 TRP AAA CD2 1 ? 2  
ATOM   905  N  NE1 . TRP A 1 114 ? 19.371  -25.092 5.804   1.000 41.811  0 114 TRP AAA NE1 1 ? 2  
ATOM   906  C  CE2 . TRP A 1 114 ? 18.352  -24.443 6.447   1.000 40.258  0 114 TRP AAA CE2 1 ? 2  
ATOM   907  C  CE3 . TRP A 1 114 ? 17.880  -23.595 8.661   1.000 46.505  0 114 TRP AAA CE3 1 ? 2  
ATOM   908  C  CZ2 . TRP A 1 114 ? 17.105  -24.038 5.985   1.000 39.466  0 114 TRP AAA CZ2 1 ? 2  
ATOM   909  C  CZ3 . TRP A 1 114 ? 16.652  -23.183 8.196   1.000 43.830  0 114 TRP AAA CZ3 1 ? 2  
ATOM   910  C  CH2 . TRP A 1 114 ? 16.267  -23.411 6.877   1.000 40.773  0 114 TRP AAA CH2 1 ? 2  
ATOM   911  N  N   . GLY A 1 115 ? 21.831  -22.495 11.408  1.000 54.488  0 115 GLY AAA N   1 ? 2  
ATOM   912  C  CA  . GLY A 1 115 ? 22.035  -22.416 12.854  1.000 57.938  0 115 GLY AAA CA  1 ? 2  
ATOM   913  C  C   . GLY A 1 115 ? 21.317  -23.564 13.537  1.000 61.780  0 115 GLY AAA C   1 ? 2  
ATOM   914  O  O   . GLY A 1 115 ? 20.393  -24.155 12.911  1.000 61.154  0 115 GLY AAA O   1 ? 2  
ATOM   915  N  N   . GLN A 1 116 ? 21.732  -23.879 14.771  1.000 64.484  0 116 GLN AAA N   1 ? 2  
ATOM   916  C  CA  . GLN A 1 116 ? 20.917  -24.689 15.712  1.000 66.899  0 116 GLN AAA CA  1 ? 2  
ATOM   917  C  C   . GLN A 1 116 ? 19.735  -23.797 16.104  1.000 64.885  0 116 GLN AAA C   1 ? 2  
ATOM   918  O  O   . GLN A 1 116 ? 19.983  -22.627 16.500  1.000 74.760  0 116 GLN AAA O   1 ? 2  
ATOM   919  C  CB  . GLN A 1 116 ? 21.746  -25.155 16.919  1.000 74.683  0 116 GLN AAA CB  1 ? 2  
ATOM   920  C  CG  . GLN A 1 116 ? 22.801  -26.190 16.546  1.000 86.420  0 116 GLN AAA CG  1 ? 2  
ATOM   921  C  CD  . GLN A 1 116 ? 23.502  -26.824 17.726  1.000 95.113  0 116 GLN AAA CD  1 ? 2  
ATOM   922  O  OE1 . GLN A 1 116 ? 23.445  -26.345 18.861  1.000 105.228 0 116 GLN AAA OE1 1 ? 2  
ATOM   923  N  NE2 . GLN A 1 116 ? 24.185  -27.927 17.460  1.000 106.309 0 116 GLN AAA NE2 1 ? 2  
ATOM   924  N  N   . GLY A 1 117 ? 18.504  -24.297 15.951  1.000 63.744  0 117 GLY AAA N   1 ? 2  
ATOM   925  C  CA  . GLY A 1 117 ? 17.288  -23.528 16.272  1.000 62.191  0 117 GLY AAA CA  1 ? 2  
ATOM   926  C  C   . GLY A 1 117 ? 17.293  -23.020 17.710  1.000 66.659  0 117 GLY AAA C   1 ? 2  
ATOM   927  O  O   . GLY A 1 117 ? 18.051  -23.570 18.549  1.000 74.447  0 117 GLY AAA O   1 ? 2  
ATOM   928  N  N   . THR A 1 118 ? 16.523  -21.961 17.976  1.000 67.614  0 118 THR AAA N   1 ? 2  
ATOM   929  C  CA  . THR A 1 118 ? 16.254  -21.431 19.336  1.000 67.131  0 118 THR AAA CA  1 ? 2  
ATOM   930  C  C   . THR A 1 118 ? 14.737  -21.376 19.524  1.000 68.392  0 118 THR AAA C   1 ? 2  
ATOM   931  O  O   . THR A 1 118 ? 14.035  -20.977 18.577  1.000 67.690  0 118 THR AAA O   1 ? 2  
ATOM   932  C  CB  . THR A 1 118 ? 16.943  -20.080 19.578  1.000 68.992  0 118 THR AAA CB  1 ? 2  
ATOM   933  O  OG1 . THR A 1 118 ? 16.749  -19.767 20.957  1.000 74.844  0 118 THR AAA OG1 1 ? 2  
ATOM   934  C  CG2 . THR A 1 118 ? 16.413  -18.948 18.725  1.000 67.425  0 118 THR AAA CG2 1 ? 2  
ATOM   935  N  N   . GLN A 1 119 ? 14.259  -21.794 20.697  1.000 67.487  0 119 GLN AAA N   1 ? 2  
ATOM   936  C  CA  . GLN A 1 119 ? 12.811  -21.854 21.023  1.000 66.804  0 119 GLN AAA CA  1 ? 2  
ATOM   937  C  C   . GLN A 1 119 ? 12.307  -20.438 21.328  1.000 65.988  0 119 GLN AAA C   1 ? 2  
ATOM   938  O  O   . GLN A 1 119 ? 12.946  -19.743 22.151  1.000 69.821  0 119 GLN AAA O   1 ? 2  
ATOM   939  C  CB  . GLN A 1 119 ? 12.569  -22.810 22.192  1.000 72.463  0 119 GLN AAA CB  1 ? 2  
ATOM   940  C  CG  . GLN A 1 119 ? 11.109  -22.897 22.610  1.000 75.584  0 119 GLN AAA CG  1 ? 2  
ATOM   941  C  CD  . GLN A 1 119 ? 10.228  -23.483 21.535  1.000 71.582  0 119 GLN AAA CD  1 ? 2  
ATOM   942  O  OE1 . GLN A 1 119 ? 10.450  -24.599 21.070  1.000 75.333  0 119 GLN AAA OE1 1 ? 2  
ATOM   943  N  NE2 . GLN A 1 119 ? 9.203   -22.742 21.141  1.000 72.544  0 119 GLN AAA NE2 1 ? 2  
ATOM   944  N  N   . VAL A 1 120 ? 11.221  -20.022 20.664  1.000 63.854  0 120 VAL AAA N   1 ? 2  
ATOM   945  C  CA  . VAL A 1 120 ? 10.469  -18.774 20.996  1.000 65.202  0 120 VAL AAA CA  1 ? 2  
ATOM   946  C  C   . VAL A 1 120 ? 9.044   -19.171 21.392  1.000 67.427  0 120 VAL AAA C   1 ? 2  
ATOM   947  O  O   . VAL A 1 120 ? 8.371   -19.819 20.574  1.000 66.472  0 120 VAL AAA O   1 ? 2  
ATOM   948  C  CB  . VAL A 1 120 ? 10.476  -17.742 19.852  1.000 63.610  0 120 VAL AAA CB  1 ? 2  
ATOM   949  C  CG1 . VAL A 1 120 ? 9.513   -16.590 20.126  1.000 64.543  0 120 VAL AAA CG1 1 ? 2  
ATOM   950  C  CG2 . VAL A 1 120 ? 11.882  -17.220 19.578  1.000 61.790  0 120 VAL AAA CG2 1 ? 2  
ATOM   951  N  N   . THR A 1 121 ? 8.632   -18.804 22.613  1.000 69.856  0 121 THR AAA N   1 ? 2  
ATOM   952  C  CA  . THR A 1 121 ? 7.280   -19.069 23.180  1.000 72.997  0 121 THR AAA CA  1 ? 2  
ATOM   953  C  C   . THR A 1 121 ? 6.651   -17.755 23.655  1.000 73.972  0 121 THR AAA C   1 ? 2  
ATOM   954  O  O   . THR A 1 121 ? 7.286   -17.050 24.467  1.000 77.364  0 121 THR AAA O   1 ? 2  
ATOM   955  C  CB  . THR A 1 121 ? 7.342   -20.096 24.316  1.000 75.799  0 121 THR AAA CB  1 ? 2  
ATOM   956  O  OG1 . THR A 1 121 ? 8.169   -21.161 23.844  1.000 73.448  0 121 THR AAA OG1 1 ? 2  
ATOM   957  C  CG2 . THR A 1 121 ? 5.980   -20.620 24.713  1.000 78.020  0 121 THR AAA CG2 1 ? 2  
ATOM   958  N  N   . VAL A 1 122 ? 5.451   -17.456 23.149  1.000 73.815  0 122 VAL AAA N   1 ? 2  
ATOM   959  C  CA  . VAL A 1 122 ? 4.615   -16.274 23.511  1.000 77.811  0 122 VAL AAA CA  1 ? 2  
ATOM   960  C  C   . VAL A 1 122 ? 3.317   -16.815 24.121  1.000 81.270  0 122 VAL AAA C   1 ? 2  
ATOM   961  O  O   . VAL A 1 122 ? 2.474   -17.327 23.365  1.000 82.031  0 122 VAL AAA O   1 ? 2  
ATOM   962  C  CB  . VAL A 1 122 ? 4.345   -15.376 22.284  1.000 74.711  0 122 VAL AAA CB  1 ? 2  
ATOM   963  C  CG1 . VAL A 1 122 ? 3.645   -14.080 22.670  1.000 79.090  0 122 VAL AAA CG1 1 ? 2  
ATOM   964  C  CG2 . VAL A 1 122 ? 5.621   -15.073 21.511  1.000 71.233  0 122 VAL AAA CG2 1 ? 2  
ATOM   965  N  N   . SER A 1 123 ? 3.183   -16.756 25.448  1.000 86.887  0 123 SER AAA N   1 ? 2  
ATOM   966  C  CA  . SER A 1 123 ? 1.988   -17.255 26.172  1.000 90.507  0 123 SER AAA CA  1 ? 2  
ATOM   967  C  C   . SER A 1 123 ? 1.807   -16.451 27.456  1.000 95.943  0 123 SER AAA C   1 ? 2  
ATOM   968  O  O   . SER A 1 123 ? 2.759   -15.760 27.865  1.000 96.208  0 123 SER AAA O   1 ? 2  
ATOM   969  C  CB  . SER A 1 123 ? 2.090   -18.733 26.453  1.000 93.356  0 123 SER AAA CB  1 ? 2  
ATOM   970  O  OG  . SER A 1 123 ? 3.148   -19.009 27.356  1.000 98.976  0 123 SER AAA OG  1 ? 2  
ATOM   971  N  N   . SER A 1 124 ? 0.614   -16.539 28.041  1.000 101.203 0 124 SER AAA N   1 ? 2  
ATOM   972  C  CA  . SER A 1 124 ? 0.247   -15.902 29.326  1.000 106.685 0 124 SER AAA CA  1 ? 2  
ATOM   973  C  C   . SER A 1 124 ? 0.409   -16.933 30.450  1.000 109.295 0 124 SER AAA C   1 ? 2  
ATOM   974  O  O   . SER A 1 124 ? 0.552   -18.138 30.186  1.000 108.462 0 124 SER AAA O   1 ? 2  
ATOM   975  C  CB  . SER A 1 124 ? -1.148  -15.332 29.260  1.000 112.269 0 124 SER AAA CB  1 ? 2  
ATOM   976  O  OG  . SER A 1 124 ? -2.039  -16.242 28.629  1.000 111.495 0 124 SER AAA OG  1 ? 2  
ATOM   977  N  N   . ASN B 2 5   ? 12.370  4.513   -21.571 1.000 61.740  0 334 ASN EEE N   1 ? 3  
ATOM   978  C  CA  . ASN B 2 5   ? 12.257  3.281   -22.415 1.000 58.527  0 334 ASN EEE CA  1 ? 3  
ATOM   979  C  C   . ASN B 2 5   ? 12.464  2.033   -21.538 1.000 49.884  0 334 ASN EEE C   1 ? 3  
ATOM   980  O  O   . ASN B 2 5   ? 13.581  1.478   -21.528 1.000 44.564  0 334 ASN EEE O   1 ? 3  
ATOM   981  C  CB  . ASN B 2 5   ? 13.241  3.330   -23.586 1.000 64.706  0 334 ASN EEE CB  1 ? 3  
ATOM   982  C  CG  . ASN B 2 5   ? 13.051  2.198   -24.575 1.000 69.180  0 334 ASN EEE CG  1 ? 3  
ATOM   983  O  OD1 . ASN B 2 5   ? 12.129  1.394   -24.442 1.000 71.872  0 334 ASN EEE OD1 1 ? 3  
ATOM   984  N  ND2 . ASN B 2 5   ? 13.917  2.132   -25.574 1.000 78.403  0 334 ASN EEE ND2 1 ? 3  
ATOM   985  N  N   . LEU B 2 6   ? 11.417  1.590   -20.842 1.000 46.383  0 335 LEU EEE N   1 ? 3  
ATOM   986  C  CA  . LEU B 2 6   ? 11.506  0.508   -19.829 1.000 43.616  0 335 LEU EEE CA  1 ? 3  
ATOM   987  C  C   . LEU B 2 6   ? 11.590  -0.852  -20.529 1.000 39.312  0 335 LEU EEE C   1 ? 3  
ATOM   988  O  O   . LEU B 2 6   ? 10.847  -1.082  -21.500 1.000 40.620  0 335 LEU EEE O   1 ? 3  
ATOM   989  C  CB  . LEU B 2 6   ? 10.294  0.593   -18.899 1.000 48.910  0 335 LEU EEE CB  1 ? 3  
ATOM   990  C  CG  . LEU B 2 6   ? 10.204  1.867   -18.059 1.000 56.526  0 335 LEU EEE CG  1 ? 3  
ATOM   991  C  CD1 . LEU B 2 6   ? 8.901   1.902   -17.272 1.000 62.781  0 335 LEU EEE CD1 1 ? 3  
ATOM   992  C  CD2 . LEU B 2 6   ? 11.401  1.995   -17.119 1.000 60.512  0 335 LEU EEE CD2 1 ? 3  
ATOM   993  N  N   . CYS B 2 7   ? 12.452  -1.738  -20.034 1.000 38.994  0 336 CYS EEE N   1 ? 3  
ATOM   994  C  CA  . CYS B 2 7   ? 12.618  -3.103  -20.600 1.000 36.880  0 336 CYS EEE CA  1 ? 3  
ATOM   995  C  C   . CYS B 2 7   ? 11.286  -3.832  -20.518 1.000 35.696  0 336 CYS EEE C   1 ? 3  
ATOM   996  O  O   . CYS B 2 7   ? 10.571  -3.713  -19.518 1.000 35.506  0 336 CYS EEE O   1 ? 3  
ATOM   997  C  CB  . CYS B 2 7   ? 13.718  -3.885  -19.900 1.000 37.600  0 336 CYS EEE CB  1 ? 3  
ATOM   998  S  SG  . CYS B 2 7   ? 15.354  -3.167  -20.181 1.000 36.786  0 336 CYS EEE SG  1 ? 3  
ATOM   999  N  N   . PRO B 2 8   ? 10.901  -4.552  -21.598 1.000 36.022  0 337 PRO EEE N   1 ? 3  
ATOM   1000 C  CA  . PRO B 2 8   ? 9.623   -5.262  -21.638 1.000 36.806  0 337 PRO EEE CA  1 ? 3  
ATOM   1001 C  C   . PRO B 2 8   ? 9.643   -6.577  -20.830 1.000 35.525  0 337 PRO EEE C   1 ? 3  
ATOM   1002 O  O   . PRO B 2 8   ? 9.349   -7.629  -21.375 1.000 33.484  0 337 PRO EEE O   1 ? 3  
ATOM   1003 C  CB  . PRO B 2 8   ? 9.420   -5.492  -23.142 1.000 39.007  0 337 PRO EEE CB  1 ? 3  
ATOM   1004 C  CG  . PRO B 2 8   ? 10.830  -5.601  -23.706 1.000 39.686  0 337 PRO EEE CG  1 ? 3  
ATOM   1005 C  CD  . PRO B 2 8   ? 11.664  -4.664  -22.857 1.000 38.976  0 337 PRO EEE CD  1 ? 3  
ATOM   1006 N  N   . PHE B 2 9   ? 9.975   -6.505  -19.538 1.000 33.663  0 338 PHE EEE N   1 ? 3  
ATOM   1007 C  CA  . PHE B 2 9   ? 10.034  -7.696  -18.649 1.000 32.745  0 338 PHE EEE CA  1 ? 3  
ATOM   1008 C  C   . PHE B 2 9   ? 8.650   -8.341  -18.522 1.000 30.743  0 338 PHE EEE C   1 ? 3  
ATOM   1009 O  O   . PHE B 2 9   ? 8.600   -9.574  -18.384 1.000 33.237  0 338 PHE EEE O   1 ? 3  
ATOM   1010 C  CB  . PHE B 2 9   ? 10.591  -7.336  -17.270 1.000 33.572  0 338 PHE EEE CB  1 ? 3  
ATOM   1011 C  CG  . PHE B 2 9   ? 12.078  -7.102  -17.256 1.000 34.494  0 338 PHE EEE CG  1 ? 3  
ATOM   1012 C  CD1 . PHE B 2 9   ? 12.958  -8.079  -17.696 1.000 33.101  0 338 PHE EEE CD1 1 ? 3  
ATOM   1013 C  CD2 . PHE B 2 9   ? 12.601  -5.913  -16.782 1.000 36.852  0 338 PHE EEE CD2 1 ? 3  
ATOM   1014 C  CE1 . PHE B 2 9   ? 14.327  -7.869  -17.669 1.000 37.591  0 338 PHE EEE CE1 1 ? 3  
ATOM   1015 C  CE2 . PHE B 2 9   ? 13.971  -5.706  -16.757 1.000 37.751  0 338 PHE EEE CE2 1 ? 3  
ATOM   1016 C  CZ  . PHE B 2 9   ? 14.831  -6.679  -17.206 1.000 37.533  0 338 PHE EEE CZ  1 ? 3  
ATOM   1017 N  N   . GLY B 2 10  ? 7.570   -7.552  -18.573 1.000 32.597  0 339 GLY EEE N   1 ? 3  
ATOM   1018 C  CA  . GLY B 2 10  ? 6.179   -8.052  -18.505 1.000 34.600  0 339 GLY EEE CA  1 ? 3  
ATOM   1019 C  C   . GLY B 2 10  ? 5.894   -9.170  -19.509 1.000 33.588  0 339 GLY EEE C   1 ? 3  
ATOM   1020 O  O   . GLY B 2 10  ? 5.148   -10.108 -19.174 1.000 35.353  0 339 GLY EEE O   1 ? 3  
ATOM   1021 N  N   . GLU B 2 11  ? 6.459   -9.094  -20.711 1.000 34.018  0 340 GLU EEE N   1 ? 3  
ATOM   1022 C  CA  . GLU B 2 11  ? 6.276   -10.124 -21.778 1.000 34.386  0 340 GLU EEE CA  1 ? 3  
ATOM   1023 C  C   . GLU B 2 11  ? 6.781   -11.488 -21.287 1.000 30.254  0 340 GLU EEE C   1 ? 3  
ATOM   1024 O  O   . GLU B 2 11  ? 6.239   -12.524 -21.721 1.000 32.834  0 340 GLU EEE O   1 ? 3  
ATOM   1025 C  CB  . GLU B 2 11  ? 7.032   -9.726  -23.047 1.000 36.629  0 340 GLU EEE CB  1 ? 3  
ATOM   1026 C  CG  . GLU B 2 11  ? 6.427   -8.533  -23.748 1.000 41.215  0 340 GLU EEE CG  1 ? 3  
ATOM   1027 C  CD  . GLU B 2 11  ? 7.133   -8.126  -25.025 1.000 45.647  0 340 GLU EEE CD  1 ? 3  
ATOM   1028 O  OE1 . GLU B 2 11  ? 6.592   -7.264  -25.730 1.000 55.783  0 340 GLU EEE OE1 1 ? 3  
ATOM   1029 O  OE2 . GLU B 2 11  ? 8.221   -8.665  -25.303 1.000 45.949  0 340 GLU EEE OE2 1 ? 3  
ATOM   1030 N  N   . VAL B 2 12  ? 7.801   -11.497 -20.427 1.000 29.762  0 341 VAL EEE N   1 ? 3  
ATOM   1031 C  CA  . VAL B 2 12  ? 8.366   -12.750 -19.855 1.000 28.710  0 341 VAL EEE CA  1 ? 3  
ATOM   1032 C  C   . VAL B 2 12  ? 7.588   -13.142 -18.587 1.000 26.991  0 341 VAL EEE C   1 ? 3  
ATOM   1033 O  O   . VAL B 2 12  ? 7.062   -14.264 -18.520 1.000 28.531  0 341 VAL EEE O   1 ? 3  
ATOM   1034 C  CB  . VAL B 2 12  ? 9.857   -12.581 -19.560 1.000 29.703  0 341 VAL EEE CB  1 ? 3  
ATOM   1035 C  CG1 . VAL B 2 12  ? 10.425  -13.861 -18.980 1.000 32.090  0 341 VAL EEE CG1 1 ? 3  
ATOM   1036 C  CG2 . VAL B 2 12  ? 10.614  -12.155 -20.812 1.000 33.229  0 341 VAL EEE CG2 1 ? 3  
ATOM   1037 N  N   . PHE B 2 13  ? 7.524   -12.249 -17.610 1.000 28.004  0 342 PHE EEE N   1 ? 3  
ATOM   1038 C  CA  . PHE B 2 13  ? 7.008   -12.569 -16.252 1.000 28.734  0 342 PHE EEE CA  1 ? 3  
ATOM   1039 C  C   . PHE B 2 13  ? 5.511   -12.865 -16.322 1.000 29.906  0 342 PHE EEE C   1 ? 3  
ATOM   1040 O  O   . PHE B 2 13  ? 5.035   -13.716 -15.556 1.000 29.820  0 342 PHE EEE O   1 ? 3  
ATOM   1041 C  CB  . PHE B 2 13  ? 7.326   -11.437 -15.273 1.000 29.657  0 342 PHE EEE CB  1 ? 3  
ATOM   1042 C  CG  . PHE B 2 13  ? 8.777   -11.371 -14.874 1.000 30.399  0 342 PHE EEE CG  1 ? 3  
ATOM   1043 C  CD1 . PHE B 2 13  ? 9.315   -12.282 -13.985 1.000 29.984  0 342 PHE EEE CD1 1 ? 3  
ATOM   1044 C  CD2 . PHE B 2 13  ? 9.623   -10.420 -15.419 1.000 33.676  0 342 PHE EEE CD2 1 ? 3  
ATOM   1045 C  CE1 . PHE B 2 13  ? 10.654  -12.235 -13.633 1.000 32.323  0 342 PHE EEE CE1 1 ? 3  
ATOM   1046 C  CE2 . PHE B 2 13  ? 10.962  -10.376 -15.066 1.000 35.022  0 342 PHE EEE CE2 1 ? 3  
ATOM   1047 C  CZ  . PHE B 2 13  ? 11.471  -11.273 -14.161 1.000 31.160  0 342 PHE EEE CZ  1 ? 3  
ATOM   1048 N  N   . ASN B 2 14  ? 4.801   -12.194 -17.229 1.000 30.622  0 343 ASN EEE N   1 ? 3  
ATOM   1049 C  CA  . ASN B 2 14  ? 3.318   -12.222 -17.287 1.000 32.605  0 343 ASN EEE CA  1 ? 3  
ATOM   1050 C  C   . ASN B 2 14  ? 2.828   -13.014 -18.509 1.000 30.246  0 343 ASN EEE C   1 ? 3  
ATOM   1051 O  O   . ASN B 2 14  ? 1.634   -12.922 -18.811 1.000 32.861  0 343 ASN EEE O   1 ? 3  
ATOM   1052 C  CB  . ASN B 2 14  ? 2.764   -10.800 -17.221 1.000 35.675  0 343 ASN EEE CB  1 ? 3  
ATOM   1053 C  CG  . ASN B 2 14  ? 2.869   -10.218 -15.823 1.000 39.162  0 343 ASN EEE CG  1 ? 3  
ATOM   1054 O  OD1 . ASN B 2 14  ? 2.884   -10.970 -14.851 1.000 38.209  0 343 ASN EEE OD1 1 ? 3  
ATOM   1055 N  ND2 . ASN B 2 14  ? 2.947   -8.899  -15.716 1.000 44.645  0 343 ASN EEE ND2 1 ? 3  
ATOM   1056 N  N   . ALA B 2 15  ? 3.684   -13.788 -19.175 1.000 29.593  0 344 ALA EEE N   1 ? 3  
ATOM   1057 C  CA  . ALA B 2 15  ? 3.260   -14.643 -20.310 1.000 29.767  0 344 ALA EEE CA  1 ? 3  
ATOM   1058 C  C   . ALA B 2 15  ? 2.131   -15.573 -19.859 1.000 29.671  0 344 ALA EEE C   1 ? 3  
ATOM   1059 O  O   . ALA B 2 15  ? 2.190   -16.083 -18.727 1.000 30.106  0 344 ALA EEE O   1 ? 3  
ATOM   1060 C  CB  . ALA B 2 15  ? 4.427   -15.424 -20.854 1.000 29.073  0 344 ALA EEE CB  1 ? 3  
ATOM   1061 N  N   . THR B 2 16  ? 1.128   -15.807 -20.700 1.000 30.965  0 345 THR EEE N   1 ? 3  
ATOM   1062 C  CA  A THR B 2 16  ? -0.036  -16.656 -20.327 0.500 34.489  0 345 THR EEE CA  1 ? 3  
ATOM   1063 C  CA  B THR B 2 16  ? -0.037  -16.667 -20.350 0.500 33.436  0 345 THR EEE CA  1 ? 3  
ATOM   1064 C  C   . THR B 2 16  ? 0.446   -18.092 -20.067 1.000 32.620  0 345 THR EEE C   1 ? 3  
ATOM   1065 O  O   . THR B 2 16  ? -0.025  -18.697 -19.078 1.000 32.902  0 345 THR EEE O   1 ? 3  
ATOM   1066 C  CB  A THR B 2 16  ? -1.146  -16.592 -21.384 0.500 39.771  0 345 THR EEE CB  1 ? 3  
ATOM   1067 C  CB  B THR B 2 16  ? -1.095  -16.683 -21.459 0.500 34.455  0 345 THR EEE CB  1 ? 3  
ATOM   1068 O  OG1 A THR B 2 16  ? -0.665  -17.262 -22.548 0.500 51.691  0 345 THR EEE OG1 1 ? 3  
ATOM   1069 O  OG1 B THR B 2 16  ? -1.450  -15.323 -21.696 0.500 36.260  0 345 THR EEE OG1 1 ? 3  
ATOM   1070 C  CG2 A THR B 2 16  ? -1.560  -15.180 -21.732 0.500 40.521  0 345 THR EEE CG2 1 ? 3  
ATOM   1071 C  CG2 B THR B 2 16  ? -2.314  -17.514 -21.110 0.500 34.672  0 345 THR EEE CG2 1 ? 3  
ATOM   1072 N  N   . ARG B 2 17  ? 1.323   -18.617 -20.919 1.000 32.770  0 346 ARG EEE N   1 ? 3  
ATOM   1073 C  CA  . ARG B 2 17  ? 1.859   -19.990 -20.752 1.000 32.385  0 346 ARG EEE CA  1 ? 3  
ATOM   1074 C  C   . ARG B 2 17  ? 3.382   -19.912 -20.748 1.000 32.010  0 346 ARG EEE C   1 ? 3  
ATOM   1075 O  O   . ARG B 2 17  ? 3.940   -18.976 -21.304 1.000 31.761  0 346 ARG EEE O   1 ? 3  
ATOM   1076 C  CB  . ARG B 2 17  ? 1.302   -20.930 -21.824 1.000 40.620  0 346 ARG EEE CB  1 ? 3  
ATOM   1077 C  CG  . ARG B 2 17  ? 1.204   -22.378 -21.373 1.000 48.137  0 346 ARG EEE CG  1 ? 3  
ATOM   1078 C  CD  . ARG B 2 17  ? 0.676   -23.376 -22.412 1.000 56.459  0 346 ARG EEE CD  1 ? 3  
ATOM   1079 N  NE  . ARG B 2 17  ? -0.212  -22.830 -23.430 1.000 60.465  0 346 ARG EEE NE  1 ? 3  
ATOM   1080 C  CZ  . ARG B 2 17  ? 0.120   -22.595 -24.703 1.000 69.362  0 346 ARG EEE CZ  1 ? 3  
ATOM   1081 N  NH1 . ARG B 2 17  ? 1.343   -22.853 -25.144 1.000 66.047  0 346 ARG EEE NH1 1 ? 3  
ATOM   1082 N  NH2 . ARG B 2 17  ? -0.787  -22.103 -25.535 1.000 78.825  0 346 ARG EEE NH2 1 ? 3  
ATOM   1083 N  N   . PHE B 2 18  ? 4.015   -20.830 -20.030 1.000 25.762  0 347 PHE EEE N   1 ? 4  
ATOM   1084 C  CA  . PHE B 2 18  ? 5.480   -20.930 -19.954 1.000 22.482  0 347 PHE EEE CA  1 ? 4  
ATOM   1085 C  C   . PHE B 2 18  ? 5.893   -22.205 -20.676 1.000 21.663  0 347 PHE EEE C   1 ? 4  
ATOM   1086 O  O   . PHE B 2 18  ? 5.027   -23.076 -20.904 1.000 22.136  0 347 PHE EEE O   1 ? 4  
ATOM   1087 C  CB  . PHE B 2 18  ? 5.959   -20.927 -18.504 1.000 24.459  0 347 PHE EEE CB  1 ? 4  
ATOM   1088 C  CG  . PHE B 2 18  ? 6.248   -19.563 -17.927 1.000 22.813  0 347 PHE EEE CG  1 ? 4  
ATOM   1089 C  CD1 . PHE B 2 18  ? 5.391   -18.490 -18.137 1.000 24.370  0 347 PHE EEE CD1 1 ? 4  
ATOM   1090 C  CD2 . PHE B 2 18  ? 7.385   -19.357 -17.156 1.000 22.052  0 347 PHE EEE CD2 1 ? 4  
ATOM   1091 C  CE1 . PHE B 2 18  ? 5.668   -17.242 -17.603 1.000 23.963  0 347 PHE EEE CE1 1 ? 4  
ATOM   1092 C  CE2 . PHE B 2 18  ? 7.662   -18.106 -16.629 1.000 23.690  0 347 PHE EEE CE2 1 ? 4  
ATOM   1093 C  CZ  . PHE B 2 18  ? 6.817   -17.050 -16.869 1.000 23.648  0 347 PHE EEE CZ  1 ? 4  
ATOM   1094 N  N   . ALA B 2 19  ? 7.172   -22.277 -21.032 1.000 21.150  0 348 ALA EEE N   1 ? 4  
ATOM   1095 C  CA  . ALA B 2 19  ? 7.810   -23.469 -21.623 1.000 20.201  0 348 ALA EEE CA  1 ? 4  
ATOM   1096 C  C   . ALA B 2 19  ? 7.888   -24.595 -20.598 1.000 19.821  0 348 ALA EEE C   1 ? 4  
ATOM   1097 O  O   . ALA B 2 19  ? 8.068   -24.310 -19.387 1.000 21.375  0 348 ALA EEE O   1 ? 4  
ATOM   1098 C  CB  . ALA B 2 19  ? 9.198   -23.138 -22.098 1.000 21.882  0 348 ALA EEE CB  1 ? 4  
ATOM   1099 N  N   . SER B 2 20  ? 7.870   -25.831 -21.073 1.000 20.512  0 349 SER EEE N   1 ? 4  
ATOM   1100 C  CA  . SER B 2 20  ? 8.415   -26.976 -20.312 1.000 19.528  0 349 SER EEE CA  1 ? 4  
ATOM   1101 C  C   . SER B 2 20  ? 9.902   -26.723 -20.072 1.000 18.783  0 349 SER EEE C   1 ? 4  
ATOM   1102 O  O   . SER B 2 20  ? 10.621  -26.178 -20.970 1.000 19.945  0 349 SER EEE O   1 ? 4  
ATOM   1103 C  CB  . SER B 2 20  ? 8.210   -28.282 -21.026 1.000 19.017  0 349 SER EEE CB  1 ? 4  
ATOM   1104 O  OG  . SER B 2 20  ? 6.857   -28.687 -21.047 1.000 20.038  0 349 SER EEE OG  1 ? 4  
ATOM   1105 N  N   . VAL B 2 21  ? 10.402  -27.150 -18.922 1.000 19.415  0 350 VAL EEE N   1 ? 4  
ATOM   1106 C  CA  . VAL B 2 21  ? 11.826  -26.910 -18.562 1.000 19.771  0 350 VAL EEE CA  1 ? 4  
ATOM   1107 C  C   . VAL B 2 21  ? 12.779  -27.549 -19.586 1.000 18.153  0 350 VAL EEE C   1 ? 4  
ATOM   1108 O  O   . VAL B 2 21  ? 13.822  -26.920 -19.869 1.000 19.448  0 350 VAL EEE O   1 ? 4  
ATOM   1109 C  CB  . VAL B 2 21  ? 12.095  -27.360 -17.116 1.000 20.045  0 350 VAL EEE CB  1 ? 4  
ATOM   1110 C  CG1 . VAL B 2 21  ? 11.888  -28.856 -16.899 1.000 20.595  0 350 VAL EEE CG1 1 ? 4  
ATOM   1111 C  CG2 . VAL B 2 21  ? 13.475  -26.912 -16.646 1.000 20.179  0 350 VAL EEE CG2 1 ? 4  
ATOM   1112 N  N   . TYR B 2 22  ? 12.505  -28.750 -20.085 1.000 18.783  0 351 TYR EEE N   1 ? 4  
ATOM   1113 C  CA  . TYR B 2 22  ? 13.447  -29.417 -21.029 1.000 19.544  0 351 TYR EEE CA  1 ? 4  
ATOM   1114 C  C   . TYR B 2 22  ? 13.559  -28.554 -22.293 1.000 17.920  0 351 TYR EEE C   1 ? 4  
ATOM   1115 O  O   . TYR B 2 22  ? 14.616  -28.565 -22.958 1.000 19.861  0 351 TYR EEE O   1 ? 4  
ATOM   1116 C  CB  . TYR B 2 22  ? 13.035  -30.855 -21.334 1.000 19.333  0 351 TYR EEE CB  1 ? 4  
ATOM   1117 C  CG  . TYR B 2 22  ? 11.979  -30.970 -22.389 1.000 17.683  0 351 TYR EEE CG  1 ? 4  
ATOM   1118 C  CD1 . TYR B 2 22  ? 10.642  -30.762 -22.105 1.000 19.975  0 351 TYR EEE CD1 1 ? 4  
ATOM   1119 C  CD2 . TYR B 2 22  ? 12.341  -31.202 -23.703 1.000 20.024  0 351 TYR EEE CD2 1 ? 4  
ATOM   1120 C  CE1 . TYR B 2 22  ? 9.660   -30.831 -23.086 1.000 20.443  0 351 TYR EEE CE1 1 ? 4  
ATOM   1121 C  CE2 . TYR B 2 22  ? 11.376  -31.272 -24.697 1.000 19.772  0 351 TYR EEE CE2 1 ? 4  
ATOM   1122 C  CZ  . TYR B 2 22  ? 10.037  -31.070 -24.400 1.000 20.559  0 351 TYR EEE CZ  1 ? 4  
ATOM   1123 O  OH  . TYR B 2 22  ? 9.088   -31.111 -25.391 1.000 22.403  0 351 TYR EEE OH  1 ? 4  
ATOM   1124 N  N   . ALA B 2 23  ? 12.488  -27.837 -22.620 1.000 18.640  0 352 ALA EEE N   1 ? 4  
ATOM   1125 C  CA  . ALA B 2 23  ? 12.380  -27.008 -23.842 1.000 19.494  0 352 ALA EEE CA  1 ? 4  
ATOM   1126 C  C   . ALA B 2 23  ? 12.309  -25.532 -23.459 1.000 18.886  0 352 ALA EEE C   1 ? 4  
ATOM   1127 O  O   . ALA B 2 23  ? 11.567  -24.743 -24.103 1.000 20.711  0 352 ALA EEE O   1 ? 4  
ATOM   1128 C  CB  . ALA B 2 23  ? 11.167  -27.424 -24.630 1.000 20.595  0 352 ALA EEE CB  1 ? 4  
ATOM   1129 N  N   . TRP B 2 24  ? 13.107  -25.148 -22.476 1.000 19.630  0 353 TRP EEE N   1 ? 4  
ATOM   1130 C  CA  . TRP B 2 24  ? 13.060  -23.790 -21.888 1.000 20.233  0 353 TRP EEE CA  1 ? 4  
ATOM   1131 C  C   . TRP B 2 24  ? 13.221  -22.699 -22.955 1.000 18.836  0 353 TRP EEE C   1 ? 4  
ATOM   1132 O  O   . TRP B 2 24  ? 13.975  -22.899 -23.954 1.000 20.844  0 353 TRP EEE O   1 ? 4  
ATOM   1133 C  CB  . TRP B 2 24  ? 14.116  -23.661 -20.800 1.000 20.201  0 353 TRP EEE CB  1 ? 4  
ATOM   1134 C  CG  . TRP B 2 24  ? 15.522  -24.013 -21.184 1.000 19.502  0 353 TRP EEE CG  1 ? 4  
ATOM   1135 C  CD1 . TRP B 2 24  ? 16.123  -25.234 -21.090 1.000 20.174  0 353 TRP EEE CD1 1 ? 4  
ATOM   1136 C  CD2 . TRP B 2 24  ? 16.531  -23.106 -21.663 1.000 20.703  0 353 TRP EEE CD2 1 ? 4  
ATOM   1137 N  NE1 . TRP B 2 24  ? 17.426  -25.159 -21.494 1.000 21.181  0 353 TRP EEE NE1 1 ? 4  
ATOM   1138 C  CE2 . TRP B 2 24  ? 17.710  -23.863 -21.841 1.000 20.251  0 353 TRP EEE CE2 1 ? 4  
ATOM   1139 C  CE3 . TRP B 2 24  ? 16.553  -21.740 -21.963 1.000 21.491  0 353 TRP EEE CE3 1 ? 4  
ATOM   1140 C  CZ2 . TRP B 2 24  ? 18.899  -23.287 -22.279 1.000 21.404  0 353 TRP EEE CZ2 1 ? 4  
ATOM   1141 C  CZ3 . TRP B 2 24  ? 17.725  -21.177 -22.419 1.000 20.824  0 353 TRP EEE CZ3 1 ? 4  
ATOM   1142 C  CH2 . TRP B 2 24  ? 18.881  -21.938 -22.557 1.000 21.826  0 353 TRP EEE CH2 1 ? 4  
ATOM   1143 N  N   . ASN B 2 25  ? 12.546  -21.576 -22.743 1.000 19.371  0 354 ASN EEE N   1 ? 4  
ATOM   1144 C  CA  . ASN B 2 25  ? 12.552  -20.409 -23.652 1.000 20.756  0 354 ASN EEE CA  1 ? 4  
ATOM   1145 C  C   . ASN B 2 25  ? 13.603  -19.390 -23.226 1.000 22.093  0 354 ASN EEE C   1 ? 4  
ATOM   1146 O  O   . ASN B 2 25  ? 13.955  -19.325 -22.059 1.000 22.449  0 354 ASN EEE O   1 ? 4  
ATOM   1147 C  CB  . ASN B 2 25  ? 11.182  -19.758 -23.739 1.000 24.044  0 354 ASN EEE CB  1 ? 4  
ATOM   1148 C  CG  . ASN B 2 25  ? 10.202  -20.567 -24.564 1.000 24.421  0 354 ASN EEE CG  1 ? 4  
ATOM   1149 O  OD1 . ASN B 2 25  ? 10.579  -21.316 -25.485 1.000 25.606  0 354 ASN EEE OD1 1 ? 4  
ATOM   1150 N  ND2 . ASN B 2 25  ? 8.939   -20.445 -24.214 1.000 23.993  0 354 ASN EEE ND2 1 ? 4  
ATOM   1151 N  N   . ARG B 2 26  ? 14.109  -18.638 -24.187 1.000 21.943  0 355 ARG EEE N   1 ? 4  
ATOM   1152 C  CA  . ARG B 2 26  ? 15.042  -17.517 -23.973 1.000 21.320  0 355 ARG EEE CA  1 ? 4  
ATOM   1153 C  C   . ARG B 2 26  ? 14.484  -16.288 -24.692 1.000 24.026  0 355 ARG EEE C   1 ? 4  
ATOM   1154 O  O   . ARG B 2 26  ? 14.161  -16.384 -25.889 1.000 28.038  0 355 ARG EEE O   1 ? 4  
ATOM   1155 C  CB  . ARG B 2 26  ? 16.432  -17.854 -24.509 1.000 23.768  0 355 ARG EEE CB  1 ? 4  
ATOM   1156 C  CG  . ARG B 2 26  ? 17.401  -16.685 -24.453 1.000 22.954  0 355 ARG EEE CG  1 ? 4  
ATOM   1157 C  CD  . ARG B 2 26  ? 18.835  -17.148 -24.539 1.000 24.575  0 355 ARG EEE CD  1 ? 4  
ATOM   1158 N  NE  . ARG B 2 26  ? 19.262  -17.762 -23.289 1.000 23.400  0 355 ARG EEE NE  1 ? 4  
ATOM   1159 C  CZ  . ARG B 2 26  ? 20.508  -18.117 -23.016 1.000 25.311  0 355 ARG EEE CZ  1 ? 4  
ATOM   1160 N  NH1 . ARG B 2 26  ? 21.458  -17.968 -23.922 1.000 26.578  0 355 ARG EEE NH1 1 ? 4  
ATOM   1161 N  NH2 . ARG B 2 26  ? 20.813  -18.615 -21.828 1.000 26.988  0 355 ARG EEE NH2 1 ? 4  
ATOM   1162 N  N   . LYS B 2 27  ? 14.390  -15.184 -23.974 1.000 21.833  0 356 LYS EEE N   1 ? 4  
ATOM   1163 C  CA  . LYS B 2 27  ? 13.997  -13.871 -24.524 1.000 22.968  0 356 LYS EEE CA  1 ? 4  
ATOM   1164 C  C   . LYS B 2 27  ? 15.215  -12.972 -24.448 1.000 23.059  0 356 LYS EEE C   1 ? 4  
ATOM   1165 O  O   . LYS B 2 27  ? 15.771  -12.812 -23.325 1.000 23.799  0 356 LYS EEE O   1 ? 4  
ATOM   1166 C  CB  . LYS B 2 27  ? 12.813  -13.268 -23.759 1.000 26.225  0 356 LYS EEE CB  1 ? 4  
ATOM   1167 C  CG  . LYS B 2 27  ? 12.397  -11.870 -24.202 1.000 30.364  0 356 LYS EEE CG  1 ? 4  
ATOM   1168 C  CD  . LYS B 2 27  ? 11.275  -11.831 -25.192 1.000 37.822  0 356 LYS EEE CD  1 ? 4  
ATOM   1169 C  CE  . LYS B 2 27  ? 10.888  -10.406 -25.552 1.000 48.188  0 356 LYS EEE CE  1 ? 4  
ATOM   1170 N  NZ  . LYS B 2 27  ? 10.746  -9.548  -24.342 1.000 50.247  0 356 LYS EEE NZ  1 ? 4  
ATOM   1171 N  N   . ARG B 2 28  ? 15.602  -12.377 -25.571 1.000 23.212  0 357 ARG EEE N   1 ? 4  
ATOM   1172 C  CA  . ARG B 2 28  ? 16.662  -11.345 -25.565 1.000 24.445  0 357 ARG EEE CA  1 ? 4  
ATOM   1173 C  C   . ARG B 2 28  ? 16.012  -10.001 -25.244 1.000 25.260  0 357 ARG EEE C   1 ? 4  
ATOM   1174 O  O   . ARG B 2 28  ? 14.981  -9.656  -25.877 1.000 28.170  0 357 ARG EEE O   1 ? 4  
ATOM   1175 C  CB  . ARG B 2 28  ? 17.398  -11.290 -26.913 1.000 26.644  0 357 ARG EEE CB  1 ? 4  
ATOM   1176 C  CG  . ARG B 2 28  ? 18.565  -10.318 -26.914 1.000 27.914  0 357 ARG EEE CG  1 ? 4  
ATOM   1177 C  CD  . ARG B 2 28  ? 19.259  -10.313 -28.264 1.000 29.014  0 357 ARG EEE CD  1 ? 4  
ATOM   1178 N  NE  . ARG B 2 28  ? 18.378  -9.727  -29.268 1.000 30.520  0 357 ARG EEE NE  1 ? 4  
ATOM   1179 C  CZ  . ARG B 2 28  ? 18.389  -8.447  -29.640 1.000 32.041  0 357 ARG EEE CZ  1 ? 4  
ATOM   1180 N  NH1 . ARG B 2 28  ? 19.258  -7.592  -29.116 1.000 33.442  0 357 ARG EEE NH1 1 ? 4  
ATOM   1181 N  NH2 . ARG B 2 28  ? 17.534  -8.027  -30.560 1.000 34.559  0 357 ARG EEE NH2 1 ? 4  
ATOM   1182 N  N   . ILE B 2 29  ? 16.601  -9.277  -24.287 1.000 26.266  0 358 ILE EEE N   1 ? 4  
ATOM   1183 C  CA  . ILE B 2 29  ? 16.202  -7.906  -23.885 1.000 28.784  0 358 ILE EEE CA  1 ? 4  
ATOM   1184 C  C   . ILE B 2 29  ? 17.358  -6.963  -24.233 1.000 28.897  0 358 ILE EEE C   1 ? 4  
ATOM   1185 O  O   . ILE B 2 29  ? 18.521  -7.257  -23.879 1.000 31.049  0 358 ILE EEE O   1 ? 4  
ATOM   1186 C  CB  . ILE B 2 29  ? 15.819  -7.907  -22.397 1.000 29.169  0 358 ILE EEE CB  1 ? 4  
ATOM   1187 C  CG1 . ILE B 2 29  ? 14.532  -8.714  -22.192 1.000 34.057  0 358 ILE EEE CG1 1 ? 4  
ATOM   1188 C  CG2 . ILE B 2 29  ? 15.693  -6.497  -21.853 1.000 32.906  0 358 ILE EEE CG2 1 ? 4  
ATOM   1189 C  CD1 . ILE B 2 29  ? 14.266  -9.077  -20.780 1.000 43.070  0 358 ILE EEE CD1 1 ? 4  
ATOM   1190 N  N   . SER B 2 30  ? 17.045  -5.855  -24.883 1.000 29.965  0 359 SER EEE N   1 ? 4  
ATOM   1191 C  CA  A SER B 2 30  ? 18.029  -4.889  -25.439 0.500 34.233  0 359 SER EEE CA  1 ? 4  
ATOM   1192 C  CA  B SER B 2 30  ? 18.061  -4.857  -25.300 0.500 33.550  0 359 SER EEE CA  1 ? 4  
ATOM   1193 C  C   . SER B 2 30  ? 17.416  -3.483  -25.479 1.000 33.790  0 359 SER EEE C   1 ? 4  
ATOM   1194 O  O   . SER B 2 30  ? 16.185  -3.394  -25.494 1.000 36.199  0 359 SER EEE O   1 ? 4  
ATOM   1195 C  CB  A SER B 2 30  ? 18.480  -5.330  -26.816 0.500 36.127  0 359 SER EEE CB  1 ? 4  
ATOM   1196 C  CB  B SER B 2 30  ? 18.790  -5.287  -26.545 0.500 35.483  0 359 SER EEE CB  1 ? 4  
ATOM   1197 O  OG  A SER B 2 30  ? 17.392  -5.408  -27.730 0.500 36.697  0 359 SER EEE OG  1 ? 4  
ATOM   1198 O  OG  B SER B 2 30  ? 20.007  -4.561  -26.687 0.500 39.759  0 359 SER EEE OG  1 ? 4  
ATOM   1199 N  N   . ASN B 2 31  ? 18.254  -2.453  -25.563 1.000 35.634  0 360 ASN EEE N   1 ? 4  
ATOM   1200 C  CA  . ASN B 2 31  ? 17.829  -1.081  -25.933 1.000 39.552  0 360 ASN EEE CA  1 ? 4  
ATOM   1201 C  C   . ASN B 2 31  ? 16.773  -0.592  -24.939 1.000 38.998  0 360 ASN EEE C   1 ? 4  
ATOM   1202 O  O   . ASN B 2 31  ? 15.696  -0.178  -25.384 1.000 39.433  0 360 ASN EEE O   1 ? 4  
ATOM   1203 C  CB  . ASN B 2 31  ? 17.293  -1.065  -27.369 1.000 43.531  0 360 ASN EEE CB  1 ? 4  
ATOM   1204 C  CG  . ASN B 2 31  ? 18.329  -1.493  -28.387 1.000 46.687  0 360 ASN EEE CG  1 ? 4  
ATOM   1205 O  OD1 . ASN B 2 31  ? 19.312  -0.789  -28.602 1.000 59.282  0 360 ASN EEE OD1 1 ? 4  
ATOM   1206 N  ND2 . ASN B 2 31  ? 18.129  -2.636  -29.026 1.000 51.113  0 360 ASN EEE ND2 1 ? 4  
ATOM   1207 N  N   . CYS B 2 32  ? 17.036  -0.675  -23.635 1.000 36.127  0 361 CYS EEE N   1 ? 4  
ATOM   1208 C  CA  . CYS B 2 32  ? 16.023  -0.296  -22.617 1.000 35.711  0 361 CYS EEE CA  1 ? 4  
ATOM   1209 C  C   . CYS B 2 32  ? 16.669  -0.092  -21.245 1.000 36.640  0 361 CYS EEE C   1 ? 4  
ATOM   1210 O  O   . CYS B 2 32  ? 17.861  -0.435  -21.081 1.000 36.250  0 361 CYS EEE O   1 ? 4  
ATOM   1211 C  CB  . CYS B 2 32  ? 14.928  -1.355  -22.540 1.000 36.099  0 361 CYS EEE CB  1 ? 4  
ATOM   1212 S  SG  . CYS B 2 32  ? 15.534  -3.037  -22.226 1.000 34.191  0 361 CYS EEE SG  1 ? 4  
ATOM   1213 N  N   . VAL B 2 33  ? 15.892  0.465   -20.312 1.000 37.058  0 362 VAL EEE N   1 ? 4  
ATOM   1214 C  CA  . VAL B 2 33  ? 16.298  0.691   -18.898 1.000 38.520  0 362 VAL EEE CA  1 ? 4  
ATOM   1215 C  C   . VAL B 2 33  ? 15.623  -0.379  -18.040 1.000 37.216  0 362 VAL EEE C   1 ? 4  
ATOM   1216 O  O   . VAL B 2 33  ? 14.391  -0.518  -18.110 1.000 37.736  0 362 VAL EEE O   1 ? 4  
ATOM   1217 C  CB  . VAL B 2 33  ? 15.953  2.110   -18.411 1.000 43.023  0 362 VAL EEE CB  1 ? 4  
ATOM   1218 C  CG1 . VAL B 2 33  ? 16.355  2.310   -16.950 1.000 48.216  0 362 VAL EEE CG1 1 ? 4  
ATOM   1219 C  CG2 . VAL B 2 33  ? 16.593  3.163   -19.296 1.000 47.212  0 362 VAL EEE CG2 1 ? 4  
ATOM   1220 N  N   . ALA B 2 34  ? 16.428  -1.114  -17.278 1.000 36.101  0 363 ALA EEE N   1 ? 4  
ATOM   1221 C  CA  . ALA B 2 34  ? 16.001  -2.217  -16.395 1.000 39.232  0 363 ALA EEE CA  1 ? 4  
ATOM   1222 C  C   . ALA B 2 34  ? 16.152  -1.773  -14.933 1.000 41.687  0 363 ALA EEE C   1 ? 4  
ATOM   1223 O  O   . ALA B 2 34  ? 17.274  -1.414  -14.559 1.000 42.520  0 363 ALA EEE O   1 ? 4  
ATOM   1224 C  CB  . ALA B 2 34  ? 16.836  -3.436  -16.720 1.000 38.880  0 363 ALA EEE CB  1 ? 4  
ATOM   1225 N  N   . ASP B 2 35  ? 15.077  -1.783  -14.134 1.000 38.304  0 364 ASP EEE N   1 ? 4  
ATOM   1226 C  CA  . ASP B 2 35  ? 15.179  -1.503  -12.680 1.000 39.739  0 364 ASP EEE CA  1 ? 4  
ATOM   1227 C  C   . ASP B 2 35  ? 15.139  -2.844  -11.945 1.000 35.462  0 364 ASP EEE C   1 ? 4  
ATOM   1228 O  O   . ASP B 2 35  ? 14.050  -3.335  -11.612 1.000 35.959  0 364 ASP EEE O   1 ? 4  
ATOM   1229 C  CB  . ASP B 2 35  ? 14.150  -0.497  -12.155 1.000 46.075  0 364 ASP EEE CB  1 ? 4  
ATOM   1230 C  CG  . ASP B 2 35  ? 14.574  0.092   -10.812 1.000 49.667  0 364 ASP EEE CG  1 ? 4  
ATOM   1231 O  OD1 . ASP B 2 35  ? 15.322  -0.599  -10.059 1.000 42.940  0 364 ASP EEE OD1 1 ? 4  
ATOM   1232 O  OD2 . ASP B 2 35  ? 14.185  1.247   -10.528 1.000 53.694  0 364 ASP EEE OD2 1 ? 4  
ATOM   1233 N  N   . TYR B 2 36  ? 16.324  -3.406  -11.725 1.000 32.284  0 365 TYR EEE N   1 ? 4  
ATOM   1234 C  CA  . TYR B 2 36  ? 16.522  -4.715  -11.060 1.000 33.012  0 365 TYR EEE CA  1 ? 4  
ATOM   1235 C  C   . TYR B 2 36  ? 16.062  -4.610  -9.602  1.000 33.127  0 365 TYR EEE C   1 ? 4  
ATOM   1236 O  O   . TYR B 2 36  ? 15.537  -5.596  -9.092  1.000 34.225  0 365 TYR EEE O   1 ? 4  
ATOM   1237 C  CB  . TYR B 2 36  ? 17.971  -5.179  -11.203 1.000 34.054  0 365 TYR EEE CB  1 ? 4  
ATOM   1238 C  CG  . TYR B 2 36  ? 18.408  -5.257  -12.636 1.000 35.447  0 365 TYR EEE CG  1 ? 4  
ATOM   1239 C  CD1 . TYR B 2 36  ? 18.091  -6.364  -13.414 1.000 36.855  0 365 TYR EEE CD1 1 ? 4  
ATOM   1240 C  CD2 . TYR B 2 36  ? 19.082  -4.206  -13.240 1.000 35.460  0 365 TYR EEE CD2 1 ? 4  
ATOM   1241 C  CE1 . TYR B 2 36  ? 18.476  -6.446  -14.739 1.000 36.358  0 365 TYR EEE CE1 1 ? 4  
ATOM   1242 C  CE2 . TYR B 2 36  ? 19.473  -4.279  -14.572 1.000 37.327  0 365 TYR EEE CE2 1 ? 4  
ATOM   1243 C  CZ  . TYR B 2 36  ? 19.152  -5.390  -15.327 1.000 37.510  0 365 TYR EEE CZ  1 ? 4  
ATOM   1244 O  OH  . TYR B 2 36  ? 19.543  -5.456  -16.645 1.000 40.390  0 365 TYR EEE OH  1 ? 4  
ATOM   1245 N  N   . SER B 2 37  ? 16.226  -3.459  -8.950  1.000 37.579  0 366 SER EEE N   1 ? 4  
ATOM   1246 C  CA  . SER B 2 37  ? 15.776  -3.270  -7.543  1.000 39.232  0 366 SER EEE CA  1 ? 4  
ATOM   1247 C  C   . SER B 2 37  ? 14.247  -3.362  -7.449  1.000 38.025  0 366 SER EEE C   1 ? 4  
ATOM   1248 O  O   . SER B 2 37  ? 13.759  -3.984  -6.479  1.000 39.470  0 366 SER EEE O   1 ? 4  
ATOM   1249 C  CB  . SER B 2 37  ? 16.306  -1.995  -6.974  1.000 44.705  0 366 SER EEE CB  1 ? 4  
ATOM   1250 O  OG  . SER B 2 37  ? 17.721  -2.064  -6.926  1.000 44.628  0 366 SER EEE OG  1 ? 4  
ATOM   1251 N  N   . VAL B 2 38  ? 13.518  -2.796  -8.417  1.000 36.760  0 367 VAL EEE N   1 ? 4  
ATOM   1252 C  CA  . VAL B 2 38  ? 12.026  -2.851  -8.459  1.000 38.646  0 367 VAL EEE CA  1 ? 4  
ATOM   1253 C  C   . VAL B 2 38  ? 11.593  -4.317  -8.583  1.000 37.542  0 367 VAL EEE C   1 ? 4  
ATOM   1254 O  O   . VAL B 2 38  ? 10.653  -4.734  -7.876  1.000 37.580  0 367 VAL EEE O   1 ? 4  
ATOM   1255 C  CB  . VAL B 2 38  ? 11.457  -1.960  -9.581  1.000 41.629  0 367 VAL EEE CB  1 ? 4  
ATOM   1256 C  CG1 . VAL B 2 38  ? 9.998   -2.271  -9.903  1.000 43.939  0 367 VAL EEE CG1 1 ? 4  
ATOM   1257 C  CG2 . VAL B 2 38  ? 11.632  -0.485  -9.231  1.000 46.720  0 367 VAL EEE CG2 1 ? 4  
ATOM   1258 N  N   . LEU B 2 39  ? 12.266  -5.089  -9.436  1.000 34.471  0 368 LEU EEE N   1 ? 4  
ATOM   1259 C  CA  . LEU B 2 39  ? 11.979  -6.536  -9.580  1.000 32.273  0 368 LEU EEE CA  1 ? 4  
ATOM   1260 C  C   . LEU B 2 39  ? 12.266  -7.222  -8.245  1.000 31.423  0 368 LEU EEE C   1 ? 4  
ATOM   1261 O  O   . LEU B 2 39  ? 11.374  -7.954  -7.783  1.000 31.557  0 368 LEU EEE O   1 ? 4  
ATOM   1262 C  CB  . LEU B 2 39  ? 12.820  -7.148  -10.701 1.000 30.746  0 368 LEU EEE CB  1 ? 4  
ATOM   1263 C  CG  . LEU B 2 39  ? 12.458  -6.682  -12.109 1.000 32.901  0 368 LEU EEE CG  1 ? 4  
ATOM   1264 C  CD1 . LEU B 2 39  ? 13.405  -7.310  -13.115 1.000 33.509  0 368 LEU EEE CD1 1 ? 4  
ATOM   1265 C  CD2 . LEU B 2 39  ? 11.004  -7.013  -12.439 1.000 33.408  0 368 LEU EEE CD2 1 ? 4  
ATOM   1266 N  N   . TYR B 2 40  ? 13.449  -6.979  -7.666  1.000 32.444  0 369 TYR EEE N   1 ? 4  
ATOM   1267 C  CA  . TYR B 2 40  ? 13.907  -7.644  -6.419  1.000 34.151  0 369 TYR EEE CA  1 ? 4  
ATOM   1268 C  C   . TYR B 2 40  ? 12.899  -7.397  -5.288  1.000 35.862  0 369 TYR EEE C   1 ? 4  
ATOM   1269 O  O   . TYR B 2 40  ? 12.678  -8.307  -4.458  1.000 38.101  0 369 TYR EEE O   1 ? 4  
ATOM   1270 C  CB  . TYR B 2 40  ? 15.286  -7.180  -5.939  1.000 34.438  0 369 TYR EEE CB  1 ? 4  
ATOM   1271 C  CG  . TYR B 2 40  ? 15.661  -7.898  -4.668  1.000 37.066  0 369 TYR EEE CG  1 ? 4  
ATOM   1272 C  CD1 . TYR B 2 40  ? 16.123  -9.199  -4.725  1.000 35.772  0 369 TYR EEE CD1 1 ? 4  
ATOM   1273 C  CD2 . TYR B 2 40  ? 15.438  -7.343  -3.414  1.000 44.978  0 369 TYR EEE CD2 1 ? 4  
ATOM   1274 C  CE1 . TYR B 2 40  ? 16.408  -9.919  -3.580  1.000 36.871  0 369 TYR EEE CE1 1 ? 4  
ATOM   1275 C  CE2 . TYR B 2 40  ? 15.702  -8.056  -2.251  1.000 43.881  0 369 TYR EEE CE2 1 ? 4  
ATOM   1276 C  CZ  . TYR B 2 40  ? 16.196  -9.348  -2.334  1.000 38.752  0 369 TYR EEE CZ  1 ? 4  
ATOM   1277 O  OH  . TYR B 2 40  ? 16.497  -10.066 -1.205  1.000 39.591  0 369 TYR EEE OH  1 ? 4  
ATOM   1278 N  N   . ASN B 2 41  ? 12.326  -6.196  -5.241  1.000 36.297  0 370 ASN EEE N   1 ? 4  
ATOM   1279 C  CA  . ASN B 2 41  ? 11.440  -5.753  -4.139  1.000 38.192  0 370 ASN EEE CA  1 ? 4  
ATOM   1280 C  C   . ASN B 2 41  ? 9.985   -6.165  -4.391  1.000 36.232  0 370 ASN EEE C   1 ? 4  
ATOM   1281 O  O   . ASN B 2 41  ? 9.151   -5.920  -3.499  1.000 38.277  0 370 ASN EEE O   1 ? 4  
ATOM   1282 C  CB  . ASN B 2 41  ? 11.594  -4.253  -3.893  1.000 42.982  0 370 ASN EEE CB  1 ? 4  
ATOM   1283 C  CG  . ASN B 2 41  ? 12.869  -3.963  -3.133  1.000 47.060  0 370 ASN EEE CG  1 ? 4  
ATOM   1284 O  OD1 . ASN B 2 41  ? 13.083  -4.498  -2.042  1.000 56.779  0 370 ASN EEE OD1 1 ? 4  
ATOM   1285 N  ND2 . ASN B 2 41  ? 13.720  -3.124  -3.688  1.000 55.168  0 370 ASN EEE ND2 1 ? 4  
ATOM   1286 N  N   . SER B 2 42  ? 9.679   -6.814  -5.513  1.000 36.301  0 371 SER EEE N   1 ? 4  
ATOM   1287 C  CA  . SER B 2 42  ? 8.302   -7.285  -5.802  1.000 35.976  0 371 SER EEE CA  1 ? 4  
ATOM   1288 C  C   . SER B 2 42  ? 7.929   -8.482  -4.908  1.000 35.787  0 371 SER EEE C   1 ? 4  
ATOM   1289 O  O   . SER B 2 42  ? 8.635   -9.529  -4.935  1.000 35.596  0 371 SER EEE O   1 ? 4  
ATOM   1290 C  CB  . SER B 2 42  ? 8.131   -7.619  -7.252  1.000 34.906  0 371 SER EEE CB  1 ? 4  
ATOM   1291 O  OG  . SER B 2 42  ? 6.822   -8.109  -7.453  1.000 36.562  0 371 SER EEE OG  1 ? 4  
ATOM   1292 N  N   . ALA B 2 43  ? 6.813   -8.373  -4.185  1.000 35.936  0 372 ALA EEE N   1 ? 4  
ATOM   1293 C  CA  . ALA B 2 43  ? 6.295   -9.454  -3.314  1.000 40.666  0 372 ALA EEE CA  1 ? 4  
ATOM   1294 C  C   . ALA B 2 43  ? 5.719   -10.598 -4.167  1.000 38.849  0 372 ALA EEE C   1 ? 4  
ATOM   1295 O  O   . ALA B 2 43  ? 5.474   -11.677 -3.608  1.000 41.695  0 372 ALA EEE O   1 ? 4  
ATOM   1296 C  CB  . ALA B 2 43  ? 5.281   -8.906  -2.334  1.000 43.005  0 372 ALA EEE CB  1 ? 4  
ATOM   1297 N  N   . SER B 2 44  ? 5.543   -10.390 -5.474  1.000 37.064  0 373 SER EEE N   1 ? 4  
ATOM   1298 C  CA  . SER B 2 44  ? 5.057   -11.413 -6.443  1.000 39.331  0 373 SER EEE CA  1 ? 4  
ATOM   1299 C  C   . SER B 2 44  ? 6.043   -12.580 -6.521  1.000 35.387  0 373 SER EEE C   1 ? 4  
ATOM   1300 O  O   . SER B 2 44  ? 5.614   -13.689 -6.870  1.000 37.050  0 373 SER EEE O   1 ? 4  
ATOM   1301 C  CB  . SER B 2 44  ? 4.861   -10.813 -7.809  1.000 42.787  0 373 SER EEE CB  1 ? 4  
ATOM   1302 O  OG  . SER B 2 44  ? 3.976   -9.711  -7.743  1.000 49.129  0 373 SER EEE OG  1 ? 4  
ATOM   1303 N  N   . PHE B 2 45  ? 7.328   -12.317 -6.268  1.000 31.328  0 374 PHE EEE N   1 ? 4  
ATOM   1304 C  CA  . PHE B 2 45  ? 8.420   -13.311 -6.395  1.000 30.597  0 374 PHE EEE CA  1 ? 4  
ATOM   1305 C  C   . PHE B 2 45  ? 8.758   -13.859 -5.009  1.000 29.474  0 374 PHE EEE C   1 ? 4  
ATOM   1306 O  O   . PHE B 2 45  ? 8.997   -13.072 -4.080  1.000 32.918  0 374 PHE EEE O   1 ? 4  
ATOM   1307 C  CB  . PHE B 2 45  ? 9.643   -12.690 -7.075  1.000 29.024  0 374 PHE EEE CB  1 ? 4  
ATOM   1308 C  CG  . PHE B 2 45  ? 9.355   -11.996 -8.377  1.000 28.717  0 374 PHE EEE CG  1 ? 4  
ATOM   1309 C  CD1 . PHE B 2 45  ? 8.627   -12.636 -9.371  1.000 28.365  0 374 PHE EEE CD1 1 ? 4  
ATOM   1310 C  CD2 . PHE B 2 45  ? 9.841   -10.722 -8.617  1.000 29.049  0 374 PHE EEE CD2 1 ? 4  
ATOM   1311 C  CE1 . PHE B 2 45  ? 8.371   -11.996 -10.574 1.000 30.557  0 374 PHE EEE CE1 1 ? 4  
ATOM   1312 C  CE2 . PHE B 2 45  ? 9.580   -10.088 -9.821  1.000 33.602  0 374 PHE EEE CE2 1 ? 4  
ATOM   1313 C  CZ  . PHE B 2 45  ? 8.842   -10.725 -10.794 1.000 30.810  0 374 PHE EEE CZ  1 ? 4  
ATOM   1314 N  N   . SER B 2 46  ? 8.756   -15.182 -4.870  1.000 28.940  0 375 SER EEE N   1 ? 4  
ATOM   1315 C  CA  . SER B 2 46  ? 9.082   -15.872 -3.593  1.000 30.555  0 375 SER EEE CA  1 ? 4  
ATOM   1316 C  C   . SER B 2 46  ? 10.551  -16.321 -3.578  1.000 29.146  0 375 SER EEE C   1 ? 4  
ATOM   1317 O  O   . SER B 2 46  ? 11.123  -16.532 -2.474  1.000 31.532  0 375 SER EEE O   1 ? 4  
ATOM   1318 C  CB  . SER B 2 46  ? 8.119   -16.999 -3.339  1.000 31.757  0 375 SER EEE CB  1 ? 4  
ATOM   1319 O  OG  . SER B 2 46  ? 7.976   -17.845 -4.462  1.000 27.203  0 375 SER EEE OG  1 ? 4  
ATOM   1320 N  N   . THR B 2 47  ? 11.156  -16.456 -4.760  1.000 27.053  0 376 THR EEE N   1 ? 4  
ATOM   1321 C  CA  . THR B 2 47  ? 12.605  -16.710 -4.929  1.000 26.763  0 376 THR EEE CA  1 ? 4  
ATOM   1322 C  C   . THR B 2 47  ? 13.196  -15.551 -5.729  1.000 27.686  0 376 THR EEE C   1 ? 4  
ATOM   1323 O  O   . THR B 2 47  ? 12.617  -15.206 -6.791  1.000 27.723  0 376 THR EEE O   1 ? 4  
ATOM   1324 C  CB  . THR B 2 47  ? 12.874  -18.028 -5.663  1.000 26.316  0 376 THR EEE CB  1 ? 4  
ATOM   1325 O  OG1 . THR B 2 47  ? 12.347  -19.151 -4.955  1.000 28.302  0 376 THR EEE OG1 1 ? 4  
ATOM   1326 C  CG2 . THR B 2 47  ? 14.353  -18.254 -5.897  1.000 28.411  0 376 THR EEE CG2 1 ? 4  
ATOM   1327 N  N   . PHE B 2 48  ? 14.258  -14.920 -5.228  1.000 26.617  0 377 PHE EEE N   1 ? 4  
ATOM   1328 C  CA  . PHE B 2 48  ? 15.007  -13.903 -5.999  1.000 26.792  0 377 PHE EEE CA  1 ? 4  
ATOM   1329 C  C   . PHE B 2 48  ? 16.441  -13.909 -5.496  1.000 27.197  0 377 PHE EEE C   1 ? 4  
ATOM   1330 O  O   . PHE B 2 48  ? 16.694  -13.332 -4.449  1.000 29.246  0 377 PHE EEE O   1 ? 4  
ATOM   1331 C  CB  . PHE B 2 48  ? 14.334  -12.534 -5.912  1.000 28.029  0 377 PHE EEE CB  1 ? 4  
ATOM   1332 C  CG  . PHE B 2 48  ? 14.605  -11.630 -7.088  1.000 28.057  0 377 PHE EEE CG  1 ? 4  
ATOM   1333 C  CD1 . PHE B 2 48  ? 15.899  -11.343 -7.483  1.000 27.570  0 377 PHE EEE CD1 1 ? 4  
ATOM   1334 C  CD2 . PHE B 2 48  ? 13.557  -11.088 -7.813  1.000 28.538  0 377 PHE EEE CD2 1 ? 4  
ATOM   1335 C  CE1 . PHE B 2 48  ? 16.141  -10.498 -8.556  1.000 28.718  0 377 PHE EEE CE1 1 ? 4  
ATOM   1336 C  CE2 . PHE B 2 48  ? 13.800  -10.255 -8.894  1.000 27.944  0 377 PHE EEE CE2 1 ? 4  
ATOM   1337 C  CZ  . PHE B 2 48  ? 15.086  -9.967  -9.266  1.000 27.961  0 377 PHE EEE CZ  1 ? 4  
ATOM   1338 N  N   . LYS B 2 49  ? 17.333  -14.579 -6.226  1.000 28.068  0 378 LYS EEE N   1 ? 4  
ATOM   1339 C  CA  . LYS B 2 49  ? 18.737  -14.796 -5.814  1.000 28.237  0 378 LYS EEE CA  1 ? 4  
ATOM   1340 C  C   . LYS B 2 49  ? 19.661  -14.408 -6.965  1.000 29.120  0 378 LYS EEE C   1 ? 4  
ATOM   1341 O  O   . LYS B 2 49  ? 19.509  -14.981 -8.064  1.000 27.593  0 378 LYS EEE O   1 ? 4  
ATOM   1342 C  CB  . LYS B 2 49  ? 18.959  -16.262 -5.459  1.000 28.482  0 378 LYS EEE CB  1 ? 4  
ATOM   1343 C  CG  . LYS B 2 49  ? 18.089  -16.772 -4.324  1.000 30.274  0 378 LYS EEE CG  1 ? 4  
ATOM   1344 C  CD  . LYS B 2 49  ? 18.331  -18.221 -4.015  1.000 30.247  0 378 LYS EEE CD  1 ? 4  
ATOM   1345 C  CE  . LYS B 2 49  ? 17.972  -19.133 -5.158  1.000 28.769  0 378 LYS EEE CE  1 ? 4  
ATOM   1346 N  NZ  . LYS B 2 49  ? 17.705  -20.503 -4.678  1.000 29.436  0 378 LYS EEE NZ  1 ? 4  
ATOM   1347 N  N   . CYS B 2 50  ? 20.607  -13.508 -6.699  1.000 28.865  0 379 CYS EEE N   1 ? 4  
ATOM   1348 C  CA  . CYS B 2 50  ? 21.649  -13.131 -7.679  1.000 28.614  0 379 CYS EEE CA  1 ? 4  
ATOM   1349 C  C   . CYS B 2 50  ? 23.002  -13.712 -7.278  1.000 30.603  0 379 CYS EEE C   1 ? 4  
ATOM   1350 O  O   . CYS B 2 50  ? 23.297  -13.808 -6.063  1.000 33.565  0 379 CYS EEE O   1 ? 4  
ATOM   1351 C  CB  . CYS B 2 50  ? 21.685  -11.627 -7.889  1.000 30.380  0 379 CYS EEE CB  1 ? 4  
ATOM   1352 S  SG  . CYS B 2 50  ? 20.065  -10.980 -8.371  1.000 31.566  0 379 CYS EEE SG  1 ? 4  
ATOM   1353 N  N   . TYR B 2 51  ? 23.784  -14.050 -8.302  1.000 29.872  0 380 TYR EEE N   1 ? 4  
ATOM   1354 C  CA  . TYR B 2 51  ? 25.121  -14.680 -8.249  1.000 30.496  0 380 TYR EEE CA  1 ? 4  
ATOM   1355 C  C   . TYR B 2 51  ? 26.110  -13.771 -8.989  1.000 32.352  0 380 TYR EEE C   1 ? 4  
ATOM   1356 O  O   . TYR B 2 51  ? 25.740  -13.202 -10.051 1.000 32.713  0 380 TYR EEE O   1 ? 4  
ATOM   1357 C  CB  . TYR B 2 51  ? 25.039  -16.082 -8.856  1.000 30.015  0 380 TYR EEE CB  1 ? 4  
ATOM   1358 C  CG  . TYR B 2 51  ? 24.083  -16.976 -8.124  1.000 29.056  0 380 TYR EEE CG  1 ? 4  
ATOM   1359 C  CD1 . TYR B 2 51  ? 22.736  -17.001 -8.438  1.000 26.064  0 380 TYR EEE CD1 1 ? 4  
ATOM   1360 C  CD2 . TYR B 2 51  ? 24.518  -17.753 -7.057  1.000 30.156  0 380 TYR EEE CD2 1 ? 4  
ATOM   1361 C  CE1 . TYR B 2 51  ? 21.847  -17.793 -7.728  1.000 28.126  0 380 TYR EEE CE1 1 ? 4  
ATOM   1362 C  CE2 . TYR B 2 51  ? 23.643  -18.559 -6.352  1.000 31.708  0 380 TYR EEE CE2 1 ? 4  
ATOM   1363 C  CZ  . TYR B 2 51  ? 22.302  -18.575 -6.682  1.000 30.604  0 380 TYR EEE CZ  1 ? 4  
ATOM   1364 O  OH  . TYR B 2 51  ? 21.426  -19.354 -5.979  1.000 29.986  0 380 TYR EEE OH  1 ? 4  
ATOM   1365 N  N   . GLY B 2 52  ? 27.304  -13.586 -8.422  1.000 33.784  0 381 GLY EEE N   1 ? 4  
ATOM   1366 C  CA  . GLY B 2 52  ? 28.407  -12.823 -9.049  1.000 38.268  0 381 GLY EEE CA  1 ? 4  
ATOM   1367 C  C   . GLY B 2 52  ? 28.134  -11.325 -9.102  1.000 37.144  0 381 GLY EEE C   1 ? 4  
ATOM   1368 O  O   . GLY B 2 52  ? 29.036  -10.577 -9.483  1.000 46.003  0 381 GLY EEE O   1 ? 4  
ATOM   1369 N  N   . VAL B 2 53  ? 26.942  -10.899 -8.689  1.000 35.831  0 382 VAL EEE N   1 ? 4  
ATOM   1370 C  CA  . VAL B 2 53  ? 26.456  -9.492  -8.766  1.000 38.036  0 382 VAL EEE CA  1 ? 4  
ATOM   1371 C  C   . VAL B 2 53  ? 25.233  -9.383  -7.851  1.000 37.920  0 382 VAL EEE C   1 ? 4  
ATOM   1372 O  O   . VAL B 2 53  ? 24.684  -10.426 -7.483  1.000 36.670  0 382 VAL EEE O   1 ? 4  
ATOM   1373 C  CB  . VAL B 2 53  ? 26.114  -9.146  -10.226 1.000 39.372  0 382 VAL EEE CB  1 ? 4  
ATOM   1374 C  CG1 . VAL B 2 53  ? 24.894  -9.923  -10.712 1.000 40.237  0 382 VAL EEE CG1 1 ? 4  
ATOM   1375 C  CG2 . VAL B 2 53  ? 25.929  -7.660  -10.439 1.000 42.697  0 382 VAL EEE CG2 1 ? 4  
ATOM   1376 N  N   . SER B 2 54  ? 24.826  -8.174  -7.479  1.000 40.080  0 383 SER EEE N   1 ? 4  
ATOM   1377 C  CA  . SER B 2 54  ? 23.579  -7.925  -6.717  1.000 34.693  0 383 SER EEE CA  1 ? 4  
ATOM   1378 C  C   . SER B 2 54  ? 22.691  -6.982  -7.516  1.000 35.048  0 383 SER EEE C   1 ? 4  
ATOM   1379 O  O   . SER B 2 54  ? 23.166  -6.312  -8.438  1.000 34.450  0 383 SER EEE O   1 ? 4  
ATOM   1380 C  CB  . SER B 2 54  ? 23.890  -7.357  -5.371  1.000 37.878  0 383 SER EEE CB  1 ? 4  
ATOM   1381 O  OG  . SER B 2 54  ? 24.427  -6.051  -5.508  1.000 40.199  0 383 SER EEE OG  1 ? 4  
ATOM   1382 N  N   . PRO B 2 55  ? 21.381  -6.905  -7.201  1.000 34.998  0 384 PRO EEE N   1 ? 4  
ATOM   1383 C  CA  . PRO B 2 55  ? 20.499  -5.957  -7.883  1.000 37.071  0 384 PRO EEE CA  1 ? 4  
ATOM   1384 C  C   . PRO B 2 55  ? 20.991  -4.504  -7.805  1.000 36.911  0 384 PRO EEE C   1 ? 4  
ATOM   1385 O  O   . PRO B 2 55  ? 20.806  -3.776  -8.752  1.000 38.712  0 384 PRO EEE O   1 ? 4  
ATOM   1386 C  CB  . PRO B 2 55  ? 19.158  -6.146  -7.159  1.000 37.028  0 384 PRO EEE CB  1 ? 4  
ATOM   1387 C  CG  . PRO B 2 55  ? 19.208  -7.579  -6.681  1.000 35.180  0 384 PRO EEE CG  1 ? 4  
ATOM   1388 C  CD  . PRO B 2 55  ? 20.653  -7.789  -6.275  1.000 36.117  0 384 PRO EEE CD  1 ? 4  
ATOM   1389 N  N   . THR B 2 56  ? 21.607  -4.097  -6.690  1.000 38.839  0 385 THR EEE N   1 ? 4  
ATOM   1390 C  CA  . THR B 2 56  ? 22.136  -2.715  -6.558  1.000 39.389  0 385 THR EEE CA  1 ? 4  
ATOM   1391 C  C   . THR B 2 56  ? 23.240  -2.512  -7.596  1.000 38.995  0 385 THR EEE C   1 ? 4  
ATOM   1392 O  O   . THR B 2 56  ? 23.226  -1.464  -8.283  1.000 41.882  0 385 THR EEE O   1 ? 4  
ATOM   1393 C  CB  . THR B 2 56  ? 22.632  -2.402  -5.142  1.000 41.554  0 385 THR EEE CB  1 ? 4  
ATOM   1394 O  OG1 . THR B 2 56  ? 21.503  -2.499  -4.279  1.000 42.068  0 385 THR EEE OG1 1 ? 4  
ATOM   1395 C  CG2 . THR B 2 56  ? 23.255  -1.026  -5.023  1.000 44.717  0 385 THR EEE CG2 1 ? 4  
ATOM   1396 N  N   . LYS B 2 57  ? 24.149  -3.480  -7.735  1.000 38.246  0 386 LYS EEE N   1 ? 4  
ATOM   1397 C  CA  . LYS B 2 57  ? 25.251  -3.371  -8.724  1.000 39.144  0 386 LYS EEE CA  1 ? 4  
ATOM   1398 C  C   . LYS B 2 57  ? 24.635  -3.356  -10.132 1.000 35.421  0 386 LYS EEE C   1 ? 4  
ATOM   1399 O  O   . LYS B 2 57  ? 25.055  -2.525  -10.944 1.000 35.901  0 386 LYS EEE O   1 ? 4  
ATOM   1400 C  CB  . LYS B 2 57  ? 26.290  -4.481  -8.534  1.000 43.900  0 386 LYS EEE CB  1 ? 4  
ATOM   1401 C  CG  . LYS B 2 57  ? 27.512  -4.337  -9.435  1.000 50.154  0 386 LYS EEE CG  1 ? 4  
ATOM   1402 C  CD  . LYS B 2 57  ? 28.730  -5.127  -8.983  1.000 60.811  0 386 LYS EEE CD  1 ? 4  
ATOM   1403 C  CE  . LYS B 2 57  ? 30.021  -4.615  -9.588  1.000 66.525  0 386 LYS EEE CE  1 ? 4  
ATOM   1404 N  NZ  . LYS B 2 57  ? 31.138  -5.568  -9.380  1.000 72.023  0 386 LYS EEE NZ  1 ? 4  
ATOM   1405 N  N   . LEU B 2 58  ? 23.644  -4.204  -10.401 1.000 33.899  0 387 LEU EEE N   1 ? 4  
ATOM   1406 C  CA  . LEU B 2 58  ? 23.004  -4.281  -11.749 1.000 33.016  0 387 LEU EEE CA  1 ? 4  
ATOM   1407 C  C   . LEU B 2 58  ? 22.351  -2.933  -12.079 1.000 35.161  0 387 LEU EEE C   1 ? 4  
ATOM   1408 O  O   . LEU B 2 58  ? 22.414  -2.538  -13.247 1.000 34.552  0 387 LEU EEE O   1 ? 4  
ATOM   1409 C  CB  . LEU B 2 58  ? 21.990  -5.425  -11.804 1.000 32.072  0 387 LEU EEE CB  1 ? 4  
ATOM   1410 C  CG  . LEU B 2 58  ? 22.589  -6.825  -11.889 1.000 30.986  0 387 LEU EEE CG  1 ? 4  
ATOM   1411 C  CD1 . LEU B 2 58  ? 21.501  -7.877  -11.749 1.000 33.524  0 387 LEU EEE CD1 1 ? 4  
ATOM   1412 C  CD2 . LEU B 2 58  ? 23.374  -7.019  -13.183 1.000 31.685  0 387 LEU EEE CD2 1 ? 4  
ATOM   1413 N  N   . ASN B 2 59  ? 21.806  -2.219  -11.087 1.000 35.838  0 388 ASN EEE N   1 ? 4  
ATOM   1414 C  CA  . ASN B 2 59  ? 21.189  -0.884  -11.312 1.000 37.432  0 388 ASN EEE CA  1 ? 4  
ATOM   1415 C  C   . ASN B 2 59  ? 22.239  0.131   -11.789 1.000 37.805  0 388 ASN EEE C   1 ? 4  
ATOM   1416 O  O   . ASN B 2 59  ? 21.825  1.191   -12.311 1.000 39.615  0 388 ASN EEE O   1 ? 4  
ATOM   1417 C  CB  . ASN B 2 59  ? 20.447  -0.370  -10.080 1.000 39.697  0 388 ASN EEE CB  1 ? 4  
ATOM   1418 C  CG  . ASN B 2 59  ? 18.994  -0.778  -10.099 1.000 39.097  0 388 ASN EEE CG  1 ? 4  
ATOM   1419 O  OD1 . ASN B 2 59  ? 18.622  -1.726  -10.775 1.000 40.215  0 388 ASN EEE OD1 1 ? 4  
ATOM   1420 N  ND2 . ASN B 2 59  ? 18.160  -0.046  -9.393  1.000 46.074  0 388 ASN EEE ND2 1 ? 4  
ATOM   1421 N  N   . ASP B 2 60  ? 23.534  -0.174  -11.635 1.000 38.794  0 389 ASP EEE N   1 ? 4  
ATOM   1422 C  CA  . ASP B 2 60  ? 24.646  0.758   -11.959 1.000 40.106  0 389 ASP EEE CA  1 ? 4  
ATOM   1423 C  C   . ASP B 2 60  ? 25.511  0.186   -13.088 1.000 37.666  0 389 ASP EEE C   1 ? 4  
ATOM   1424 O  O   . ASP B 2 60  ? 26.672  0.620   -13.203 1.000 41.354  0 389 ASP EEE O   1 ? 4  
ATOM   1425 C  CB  . ASP B 2 60  ? 25.473  1.067   -10.702 1.000 42.433  0 389 ASP EEE CB  1 ? 4  
ATOM   1426 C  CG  . ASP B 2 60  ? 26.300  2.333   -10.800 1.000 46.173  0 389 ASP EEE CG  1 ? 4  
ATOM   1427 O  OD1 . ASP B 2 60  ? 25.898  3.240   -11.569 1.000 46.472  0 389 ASP EEE OD1 1 ? 4  
ATOM   1428 O  OD2 . ASP B 2 60  ? 27.343  2.408   -10.105 1.000 51.674  0 389 ASP EEE OD2 1 ? 4  
ATOM   1429 N  N   . LEU B 2 61  ? 24.977  -0.727  -13.905 1.000 37.432  0 390 LEU EEE N   1 ? 4  
ATOM   1430 C  CA  . LEU B 2 61  ? 25.746  -1.367  -15.012 1.000 37.518  0 390 LEU EEE CA  1 ? 4  
ATOM   1431 C  C   . LEU B 2 61  ? 24.947  -1.317  -16.320 1.000 37.074  0 390 LEU EEE C   1 ? 4  
ATOM   1432 O  O   . LEU B 2 61  ? 23.712  -1.298  -16.271 1.000 36.665  0 390 LEU EEE O   1 ? 4  
ATOM   1433 C  CB  . LEU B 2 61  ? 26.064  -2.817  -14.631 1.000 38.237  0 390 LEU EEE CB  1 ? 4  
ATOM   1434 C  CG  . LEU B 2 61  ? 27.126  -3.017  -13.547 1.000 42.185  0 390 LEU EEE CG  1 ? 4  
ATOM   1435 C  CD1 . LEU B 2 61  ? 27.273  -4.497  -13.226 1.000 39.902  0 390 LEU EEE CD1 1 ? 4  
ATOM   1436 C  CD2 . LEU B 2 61  ? 28.472  -2.434  -13.955 1.000 46.338  0 390 LEU EEE CD2 1 ? 4  
ATOM   1437 N  N   . CYS B 2 62  ? 25.652  -1.323  -17.454 1.000 37.713  0 391 CYS EEE N   1 ? 4  
ATOM   1438 C  CA  . CYS B 2 62  ? 25.075  -1.429  -18.812 1.000 36.194  0 391 CYS EEE CA  1 ? 4  
ATOM   1439 C  C   . CYS B 2 62  ? 25.588  -2.722  -19.438 1.000 33.826  0 391 CYS EEE C   1 ? 4  
ATOM   1440 O  O   . CYS B 2 62  ? 26.780  -3.052  -19.249 1.000 35.733  0 391 CYS EEE O   1 ? 4  
ATOM   1441 C  CB  . CYS B 2 62  ? 25.452  -0.249  -19.704 1.000 41.203  0 391 CYS EEE CB  1 ? 4  
ATOM   1442 S  SG  . CYS B 2 62  ? 24.687  1.314   -19.197 1.000 42.966  0 391 CYS EEE SG  1 ? 4  
ATOM   1443 N  N   . PHE B 2 63  ? 24.720  -3.408  -20.172 1.000 32.521  0 392 PHE EEE N   1 ? 4  
ATOM   1444 C  CA  . PHE B 2 63  ? 25.072  -4.635  -20.912 1.000 32.804  0 392 PHE EEE CA  1 ? 4  
ATOM   1445 C  C   . PHE B 2 63  ? 24.626  -4.458  -22.355 1.000 31.938  0 392 PHE EEE C   1 ? 4  
ATOM   1446 O  O   . PHE B 2 63  ? 23.781  -3.590  -22.644 1.000 31.986  0 392 PHE EEE O   1 ? 4  
ATOM   1447 C  CB  . PHE B 2 63  ? 24.447  -5.859  -20.246 1.000 33.013  0 392 PHE EEE CB  1 ? 4  
ATOM   1448 C  CG  . PHE B 2 63  ? 25.043  -6.126  -18.892 1.000 34.551  0 392 PHE EEE CG  1 ? 4  
ATOM   1449 C  CD1 . PHE B 2 63  ? 26.256  -6.782  -18.777 1.000 33.711  0 392 PHE EEE CD1 1 ? 4  
ATOM   1450 C  CD2 . PHE B 2 63  ? 24.415  -5.675  -17.744 1.000 35.552  0 392 PHE EEE CD2 1 ? 4  
ATOM   1451 C  CE1 . PHE B 2 63  ? 26.831  -6.997  -17.532 1.000 37.594  0 392 PHE EEE CE1 1 ? 4  
ATOM   1452 C  CE2 . PHE B 2 63  ? 24.995  -5.880  -16.501 1.000 35.012  0 392 PHE EEE CE2 1 ? 4  
ATOM   1453 C  CZ  . PHE B 2 63  ? 26.197  -6.542  -16.403 1.000 36.266  0 392 PHE EEE CZ  1 ? 4  
ATOM   1454 N  N   . THR B 2 64  ? 25.219  -5.257  -23.234 1.000 30.461  0 393 THR EEE N   1 ? 4  
ATOM   1455 C  CA  . THR B 2 64  ? 24.826  -5.303  -24.654 1.000 28.934  0 393 THR EEE CA  1 ? 4  
ATOM   1456 C  C   . THR B 2 64  ? 23.455  -5.976  -24.756 1.000 28.904  0 393 THR EEE C   1 ? 4  
ATOM   1457 O  O   . THR B 2 64  ? 22.578  -5.449  -25.463 1.000 32.674  0 393 THR EEE O   1 ? 4  
ATOM   1458 C  CB  . THR B 2 64  ? 25.882  -6.043  -25.468 1.000 29.305  0 393 THR EEE CB  1 ? 4  
ATOM   1459 O  OG1 . THR B 2 64  ? 27.177  -5.520  -25.185 1.000 32.582  0 393 THR EEE OG1 1 ? 4  
ATOM   1460 C  CG2 . THR B 2 64  ? 25.571  -5.933  -26.941 1.000 30.019  0 393 THR EEE CG2 1 ? 4  
ATOM   1461 N  N   . ASN B 2 65  ? 23.306  -7.133  -24.116 1.000 27.309  0 394 ASN EEE N   1 ? 4  
ATOM   1462 C  CA  . ASN B 2 65  ? 22.061  -7.931  -24.120 1.000 27.047  0 394 ASN EEE CA  1 ? 4  
ATOM   1463 C  C   . ASN B 2 65  ? 21.855  -8.495  -22.722 1.000 27.853  0 394 ASN EEE C   1 ? 4  
ATOM   1464 O  O   . ASN B 2 65  ? 22.860  -8.794  -22.045 1.000 28.001  0 394 ASN EEE O   1 ? 4  
ATOM   1465 C  CB  . ASN B 2 65  ? 22.085  -9.085  -25.122 1.000 28.080  0 394 ASN EEE CB  1 ? 4  
ATOM   1466 C  CG  . ASN B 2 65  ? 22.196  -8.611  -26.555 1.000 30.314  0 394 ASN EEE CG  1 ? 4  
ATOM   1467 O  OD1 . ASN B 2 65  ? 21.328  -7.879  -27.032 1.000 32.099  0 394 ASN EEE OD1 1 ? 4  
ATOM   1468 N  ND2 . ASN B 2 65  ? 23.268  -9.006  -27.237 1.000 30.236  0 394 ASN EEE ND2 1 ? 4  
ATOM   1469 N  N   . VAL B 2 66  ? 20.586  -8.630  -22.349 1.000 26.880  0 395 VAL EEE N   1 ? 4  
ATOM   1470 C  CA  . VAL B 2 66  ? 20.148  -9.445  -21.201 1.000 25.175  0 395 VAL EEE CA  1 ? 4  
ATOM   1471 C  C   . VAL B 2 66  ? 19.322  -10.590 -21.764 1.000 24.550  0 395 VAL EEE C   1 ? 4  
ATOM   1472 O  O   . VAL B 2 66  ? 18.546  -10.352 -22.695 1.000 26.393  0 395 VAL EEE O   1 ? 4  
ATOM   1473 C  CB  . VAL B 2 66  ? 19.360  -8.564  -20.221 1.000 26.829  0 395 VAL EEE CB  1 ? 4  
ATOM   1474 C  CG1 . VAL B 2 66  ? 18.731  -9.378  -19.105 1.000 27.597  0 395 VAL EEE CG1 1 ? 4  
ATOM   1475 C  CG2 . VAL B 2 66  ? 20.249  -7.449  -19.684 1.000 29.120  0 395 VAL EEE CG2 1 ? 4  
ATOM   1476 N  N   . TYR B 2 67  ? 19.484  -11.781 -21.213 1.000 23.052  0 396 TYR EEE N   1 ? 4  
ATOM   1477 C  CA  . TYR B 2 67  ? 18.691  -12.968 -21.599 1.000 22.122  0 396 TYR EEE CA  1 ? 4  
ATOM   1478 C  C   . TYR B 2 67  ? 17.823  -13.332 -20.405 1.000 22.877  0 396 TYR EEE C   1 ? 4  
ATOM   1479 O  O   . TYR B 2 67  ? 18.351  -13.419 -19.277 1.000 25.493  0 396 TYR EEE O   1 ? 4  
ATOM   1480 C  CB  . TYR B 2 67  ? 19.586  -14.100 -22.103 1.000 22.565  0 396 TYR EEE CB  1 ? 4  
ATOM   1481 C  CG  . TYR B 2 67  ? 20.381  -13.687 -23.313 1.000 22.507  0 396 TYR EEE CG  1 ? 4  
ATOM   1482 C  CD1 . TYR B 2 67  ? 19.779  -13.599 -24.564 1.000 23.711  0 396 TYR EEE CD1 1 ? 4  
ATOM   1483 C  CD2 . TYR B 2 67  ? 21.707  -13.320 -23.208 1.000 24.967  0 396 TYR EEE CD2 1 ? 4  
ATOM   1484 C  CE1 . TYR B 2 67  ? 20.503  -13.201 -25.677 1.000 23.567  0 396 TYR EEE CE1 1 ? 4  
ATOM   1485 C  CE2 . TYR B 2 67  ? 22.436  -12.892 -24.311 1.000 25.806  0 396 TYR EEE CE2 1 ? 4  
ATOM   1486 C  CZ  . TYR B 2 67  ? 21.833  -12.854 -25.559 1.000 24.862  0 396 TYR EEE CZ  1 ? 4  
ATOM   1487 O  OH  . TYR B 2 67  ? 22.580  -12.425 -26.620 1.000 28.196  0 396 TYR EEE OH  1 ? 4  
ATOM   1488 N  N   . ALA B 2 68  ? 16.537  -13.493 -20.666 1.000 21.181  0 397 ALA EEE N   1 ? 4  
ATOM   1489 C  CA  . ALA B 2 68  ? 15.532  -13.989 -19.713 1.000 21.808  0 397 ALA EEE CA  1 ? 4  
ATOM   1490 C  C   . ALA B 2 68  ? 15.089  -15.390 -20.144 1.000 21.481  0 397 ALA EEE C   1 ? 4  
ATOM   1491 O  O   . ALA B 2 68  ? 14.350  -15.505 -21.129 1.000 23.871  0 397 ALA EEE O   1 ? 4  
ATOM   1492 C  CB  . ALA B 2 68  ? 14.388  -13.016 -19.644 1.000 24.884  0 397 ALA EEE CB  1 ? 4  
ATOM   1493 N  N   . ASP B 2 69  ? 15.543  -16.413 -19.422 1.000 21.810  0 398 ASP EEE N   1 ? 4  
ATOM   1494 C  CA  . ASP B 2 69  ? 15.176  -17.825 -19.661 1.000 20.373  0 398 ASP EEE CA  1 ? 4  
ATOM   1495 C  C   . ASP B 2 69  ? 13.987  -18.150 -18.763 1.000 21.955  0 398 ASP EEE C   1 ? 4  
ATOM   1496 O  O   . ASP B 2 69  ? 13.988  -17.746 -17.596 1.000 24.434  0 398 ASP EEE O   1 ? 4  
ATOM   1497 C  CB  . ASP B 2 69  ? 16.351  -18.761 -19.407 1.000 21.145  0 398 ASP EEE CB  1 ? 4  
ATOM   1498 C  CG  . ASP B 2 69  ? 17.553  -18.475 -20.267 1.000 22.439  0 398 ASP EEE CG  1 ? 4  
ATOM   1499 O  OD1 . ASP B 2 69  ? 17.355  -17.870 -21.347 1.000 23.425  0 398 ASP EEE OD1 1 ? 4  
ATOM   1500 O  OD2 . ASP B 2 69  ? 18.680  -18.844 -19.842 1.000 22.615  0 398 ASP EEE OD2 1 ? 4  
ATOM   1501 N  N   . SER B 2 70  ? 12.972  -18.817 -19.287 1.000 20.003  0 399 SER EEE N   1 ? 4  
ATOM   1502 C  CA  . SER B 2 70  ? 11.736  -19.066 -18.515 1.000 20.798  0 399 SER EEE CA  1 ? 4  
ATOM   1503 C  C   . SER B 2 70  ? 11.204  -20.469 -18.783 1.000 20.245  0 399 SER EEE C   1 ? 4  
ATOM   1504 O  O   . SER B 2 70  ? 11.376  -21.024 -19.889 1.000 20.243  0 399 SER EEE O   1 ? 4  
ATOM   1505 C  CB  . SER B 2 70  ? 10.721  -17.987 -18.701 1.000 22.898  0 399 SER EEE CB  1 ? 4  
ATOM   1506 O  OG  . SER B 2 70  ? 10.216  -17.964 -20.018 1.000 24.157  0 399 SER EEE OG  1 ? 4  
ATOM   1507 N  N   . PHE B 2 71  ? 10.638  -21.066 -17.743 1.000 20.195  0 400 PHE EEE N   1 ? 4  
ATOM   1508 C  CA  . PHE B 2 71  ? 10.122  -22.447 -17.750 1.000 20.038  0 400 PHE EEE CA  1 ? 4  
ATOM   1509 C  C   . PHE B 2 71  ? 9.365   -22.703 -16.457 1.000 19.868  0 400 PHE EEE C   1 ? 4  
ATOM   1510 O  O   . PHE B 2 71  ? 9.444   -21.853 -15.526 1.000 21.831  0 400 PHE EEE O   1 ? 4  
ATOM   1511 C  CB  . PHE B 2 71  ? 11.269  -23.449 -17.898 1.000 19.923  0 400 PHE EEE CB  1 ? 4  
ATOM   1512 C  CG  . PHE B 2 71  ? 12.416  -23.240 -16.942 1.000 20.666  0 400 PHE EEE CG  1 ? 4  
ATOM   1513 C  CD1 . PHE B 2 71  ? 12.354  -23.774 -15.667 1.000 20.373  0 400 PHE EEE CD1 1 ? 4  
ATOM   1514 C  CD2 . PHE B 2 71  ? 13.537  -22.504 -17.288 1.000 20.908  0 400 PHE EEE CD2 1 ? 4  
ATOM   1515 C  CE1 . PHE B 2 71  ? 13.401  -23.591 -14.780 1.000 23.121  0 400 PHE EEE CE1 1 ? 4  
ATOM   1516 C  CE2 . PHE B 2 71  ? 14.593  -22.333 -16.399 1.000 23.239  0 400 PHE EEE CE2 1 ? 4  
ATOM   1517 C  CZ  . PHE B 2 71  ? 14.511  -22.868 -15.140 1.000 22.640  0 400 PHE EEE CZ  1 ? 4  
ATOM   1518 N  N   . VAL B 2 72  ? 8.692   -23.845 -16.417 1.000 18.899  0 401 VAL EEE N   1 ? 4  
ATOM   1519 C  CA  . VAL B 2 72  ? 7.991   -24.361 -15.210 1.000 19.574  0 401 VAL EEE CA  1 ? 4  
ATOM   1520 C  C   . VAL B 2 72  ? 8.662   -25.639 -14.702 1.000 21.241  0 401 VAL EEE C   1 ? 4  
ATOM   1521 O  O   . VAL B 2 72  ? 9.042   -26.517 -15.512 1.000 19.706  0 401 VAL EEE O   1 ? 4  
ATOM   1522 C  CB  . VAL B 2 72  ? 6.502   -24.563 -15.507 1.000 21.499  0 401 VAL EEE CB  1 ? 4  
ATOM   1523 C  CG1 . VAL B 2 72  ? 5.824   -25.484 -14.501 1.000 22.501  0 401 VAL EEE CG1 1 ? 4  
ATOM   1524 C  CG2 . VAL B 2 72  ? 5.812   -23.217 -15.567 1.000 23.654  0 401 VAL EEE CG2 1 ? 4  
ATOM   1525 N  N   . ILE B 2 73  ? 8.771   -25.720 -13.370 1.000 20.162  0 402 ILE EEE N   1 ? 4  
ATOM   1526 C  CA  . ILE B 2 73  ? 9.240   -26.921 -12.628 1.000 19.185  0 402 ILE EEE CA  1 ? 4  
ATOM   1527 C  C   . ILE B 2 73  ? 8.309   -27.106 -11.434 1.000 21.281  0 402 ILE EEE C   1 ? 4  
ATOM   1528 O  O   . ILE B 2 73  ? 7.412   -26.256 -11.218 1.000 23.357  0 402 ILE EEE O   1 ? 4  
ATOM   1529 C  CB  . ILE B 2 73  ? 10.716  -26.803 -12.219 1.000 19.989  0 402 ILE EEE CB  1 ? 4  
ATOM   1530 C  CG1 . ILE B 2 73  ? 10.964  -25.531 -11.401 1.000 21.127  0 402 ILE EEE CG1 1 ? 4  
ATOM   1531 C  CG2 . ILE B 2 73  ? 11.634  -26.900 -13.430 1.000 20.699  0 402 ILE EEE CG2 1 ? 4  
ATOM   1532 C  CD1 . ILE B 2 73  ? 12.379  -25.374 -10.930 1.000 23.311  0 402 ILE EEE CD1 1 ? 4  
ATOM   1533 N  N   . ARG B 2 74  ? 8.508   -28.174 -10.672 1.000 21.088  0 403 ARG EEE N   1 ? 4  
ATOM   1534 C  CA  . ARG B 2 74  ? 7.730   -28.341 -9.433  1.000 21.347  0 403 ARG EEE CA  1 ? 4  
ATOM   1535 C  C   . ARG B 2 74  ? 8.483   -27.631 -8.297  1.000 21.746  0 403 ARG EEE C   1 ? 4  
ATOM   1536 O  O   . ARG B 2 74  ? 9.700   -27.415 -8.380  1.000 21.979  0 403 ARG EEE O   1 ? 4  
ATOM   1537 C  CB  . ARG B 2 74  ? 7.429   -29.809 -9.131  1.000 21.410  0 403 ARG EEE CB  1 ? 4  
ATOM   1538 C  CG  . ARG B 2 74  ? 8.636   -30.652 -8.753  1.000 22.300  0 403 ARG EEE CG  1 ? 4  
ATOM   1539 C  CD  . ARG B 2 74  ? 8.229   -32.015 -8.245  1.000 24.781  0 403 ARG EEE CD  1 ? 4  
ATOM   1540 N  NE  . ARG B 2 74  ? 7.387   -32.817 -9.139  1.000 24.130  0 403 ARG EEE NE  1 ? 4  
ATOM   1541 C  CZ  . ARG B 2 74  ? 7.766   -33.924 -9.771  1.000 24.017  0 403 ARG EEE CZ  1 ? 4  
ATOM   1542 N  NH1 . ARG B 2 74  ? 8.999   -34.389 -9.660  1.000 29.954  0 403 ARG EEE NH1 1 ? 4  
ATOM   1543 N  NH2 . ARG B 2 74  ? 6.886   -34.597 -10.488 1.000 26.926  0 403 ARG EEE NH2 1 ? 4  
ATOM   1544 N  N   . GLY B 2 75  ? 7.757   -27.253 -7.265  1.000 21.731  0 404 GLY EEE N   1 ? 4  
ATOM   1545 C  CA  . GLY B 2 75  ? 8.333   -26.481 -6.142  1.000 24.087  0 404 GLY EEE CA  1 ? 4  
ATOM   1546 C  C   . GLY B 2 75  ? 9.620   -27.082 -5.580  1.000 24.007  0 404 GLY EEE C   1 ? 4  
ATOM   1547 O  O   . GLY B 2 75  ? 10.576  -26.318 -5.343  1.000 24.412  0 404 GLY EEE O   1 ? 4  
ATOM   1548 N  N   . ASP B 2 76  ? 9.667   -28.395 -5.329  1.000 25.266  0 405 ASP EEE N   1 ? 4  
ATOM   1549 C  CA  . ASP B 2 76  ? 10.840  -29.012 -4.647  1.000 24.954  0 405 ASP EEE CA  1 ? 4  
ATOM   1550 C  C   . ASP B 2 76  ? 12.054  -28.999 -5.578  1.000 24.844  0 405 ASP EEE C   1 ? 4  
ATOM   1551 O  O   . ASP B 2 76  ? 13.147  -29.325 -5.112  1.000 25.128  0 405 ASP EEE O   1 ? 4  
ATOM   1552 C  CB  . ASP B 2 76  ? 10.531  -30.395 -4.069  1.000 26.113  0 405 ASP EEE CB  1 ? 4  
ATOM   1553 C  CG  . ASP B 2 76  ? 10.310  -31.530 -5.042  1.000 26.651  0 405 ASP EEE CG  1 ? 4  
ATOM   1554 O  OD1 . ASP B 2 76  ? 10.702  -31.373 -6.228  1.000 27.327  0 405 ASP EEE OD1 1 ? 4  
ATOM   1555 O  OD2 . ASP B 2 76  ? 9.815   -32.589 -4.585  1.000 29.696  0 405 ASP EEE OD2 1 ? 4  
ATOM   1556 N  N   . GLU B 2 77  ? 11.884  -28.581 -6.840  1.000 23.224  0 406 GLU EEE N   1 ? 4  
ATOM   1557 C  CA  . GLU B 2 77  ? 13.019  -28.480 -7.787  1.000 22.536  0 406 GLU EEE CA  1 ? 4  
ATOM   1558 C  C   . GLU B 2 77  ? 13.561  -27.050 -7.872  1.000 22.406  0 406 GLU EEE C   1 ? 4  
ATOM   1559 O  O   . GLU B 2 77  ? 14.625  -26.852 -8.486  1.000 22.725  0 406 GLU EEE O   1 ? 4  
ATOM   1560 C  CB  . GLU B 2 77  ? 12.593  -28.968 -9.168  1.000 21.619  0 406 GLU EEE CB  1 ? 4  
ATOM   1561 C  CG  . GLU B 2 77  ? 12.335  -30.455 -9.243  1.000 23.473  0 406 GLU EEE CG  1 ? 4  
ATOM   1562 C  CD  . GLU B 2 77  ? 11.671  -30.924 -10.528 1.000 23.086  0 406 GLU EEE CD  1 ? 4  
ATOM   1563 O  OE1 . GLU B 2 77  ? 10.943  -30.120 -11.149 1.000 21.645  0 406 GLU EEE OE1 1 ? 4  
ATOM   1564 O  OE2 . GLU B 2 77  ? 11.885  -32.105 -10.894 1.000 24.397  0 406 GLU EEE OE2 1 ? 4  
ATOM   1565 N  N   . VAL B 2 78  ? 12.906  -26.065 -7.269  1.000 22.733  0 407 VAL EEE N   1 ? 4  
ATOM   1566 C  CA  . VAL B 2 78  ? 13.365  -24.655 -7.388  1.000 23.183  0 407 VAL EEE CA  1 ? 4  
ATOM   1567 C  C   . VAL B 2 78  ? 14.816  -24.557 -6.903  1.000 24.970  0 407 VAL EEE C   1 ? 4  
ATOM   1568 O  O   . VAL B 2 78  ? 15.619  -23.864 -7.561  1.000 25.175  0 407 VAL EEE O   1 ? 4  
ATOM   1569 C  CB  . VAL B 2 78  ? 12.414  -23.702 -6.655  1.000 23.874  0 407 VAL EEE CB  1 ? 4  
ATOM   1570 C  CG1 . VAL B 2 78  ? 13.028  -22.325 -6.473  1.000 25.131  0 407 VAL EEE CG1 1 ? 4  
ATOM   1571 C  CG2 . VAL B 2 78  ? 11.094  -23.617 -7.419  1.000 24.528  0 407 VAL EEE CG2 1 ? 4  
ATOM   1572 N  N   . ARG B 2 79  ? 15.174  -25.244 -5.815  1.000 24.786  0 408 ARG EEE N   1 ? 4  
ATOM   1573 C  CA  . ARG B 2 79  ? 16.560  -25.188 -5.300  1.000 25.453  0 408 ARG EEE CA  1 ? 4  
ATOM   1574 C  C   . ARG B 2 79  ? 17.582  -25.662 -6.343  1.000 23.836  0 408 ARG EEE C   1 ? 4  
ATOM   1575 O  O   . ARG B 2 79  ? 18.752  -25.302 -6.219  1.000 26.522  0 408 ARG EEE O   1 ? 4  
ATOM   1576 C  CB  . ARG B 2 79  ? 16.661  -26.000 -4.016  1.000 26.789  0 408 ARG EEE CB  1 ? 4  
ATOM   1577 C  CG  . ARG B 2 79  ? 16.485  -27.490 -4.242  1.000 30.229  0 408 ARG EEE CG  1 ? 4  
ATOM   1578 C  CD  . ARG B 2 79  ? 17.809  -28.214 -4.251  1.000 32.543  0 408 ARG EEE CD  1 ? 4  
ATOM   1579 N  NE  . ARG B 2 79  ? 17.546  -29.604 -4.558  1.000 32.656  0 408 ARG EEE NE  1 ? 4  
ATOM   1580 C  CZ  . ARG B 2 79  ? 18.396  -30.412 -5.162  1.000 30.383  0 408 ARG EEE CZ  1 ? 4  
ATOM   1581 N  NH1 . ARG B 2 79  ? 19.603  -29.990 -5.496  1.000 33.298  0 408 ARG EEE NH1 1 ? 4  
ATOM   1582 N  NH2 . ARG B 2 79  ? 18.022  -31.640 -5.437  1.000 31.144  0 408 ARG EEE NH2 1 ? 4  
ATOM   1583 N  N   . GLN B 2 80  ? 17.186  -26.462 -7.331  1.000 23.213  0 409 GLN EEE N   1 ? 4  
ATOM   1584 C  CA  . GLN B 2 80  ? 18.132  -26.937 -8.382  1.000 24.303  0 409 GLN EEE CA  1 ? 4  
ATOM   1585 C  C   . GLN B 2 80  ? 18.517  -25.828 -9.368  1.000 22.658  0 409 GLN EEE C   1 ? 4  
ATOM   1586 O  O   . GLN B 2 80  ? 19.529  -26.025 -10.095 1.000 25.166  0 409 GLN EEE O   1 ? 4  
ATOM   1587 C  CB  . GLN B 2 80  ? 17.542  -28.109 -9.148  1.000 22.524  0 409 GLN EEE CB  1 ? 4  
ATOM   1588 C  CG  . GLN B 2 80  ? 17.398  -29.354 -8.294  1.000 24.686  0 409 GLN EEE CG  1 ? 4  
ATOM   1589 C  CD  . GLN B 2 80  ? 16.953  -30.510 -9.143  1.000 25.655  0 409 GLN EEE CD  1 ? 4  
ATOM   1590 O  OE1 . GLN B 2 80  ? 17.485  -30.725 -10.239 1.000 24.074  0 409 GLN EEE OE1 1 ? 4  
ATOM   1591 N  NE2 . GLN B 2 80  ? 16.013  -31.284 -8.629  1.000 24.693  0 409 GLN EEE NE2 1 ? 4  
ATOM   1592 N  N   . ILE B 2 81  ? 17.786  -24.714 -9.414  1.000 21.608  0 410 ILE EEE N   1 ? 4  
ATOM   1593 C  CA  . ILE B 2 81  ? 18.123  -23.595 -10.348 1.000 23.306  0 410 ILE EEE CA  1 ? 4  
ATOM   1594 C  C   . ILE B 2 81  ? 19.126  -22.682 -9.637  1.000 23.894  0 410 ILE EEE C   1 ? 4  
ATOM   1595 O  O   . ILE B 2 81  ? 18.770  -21.582 -9.187  1.000 24.708  0 410 ILE EEE O   1 ? 4  
ATOM   1596 C  CB  . ILE B 2 81  ? 16.879  -22.852 -10.860 1.000 22.834  0 410 ILE EEE CB  1 ? 4  
ATOM   1597 C  CG1 . ILE B 2 81  ? 15.768  -23.825 -11.257 1.000 23.441  0 410 ILE EEE CG1 1 ? 4  
ATOM   1598 C  CG2 . ILE B 2 81  ? 17.285  -21.913 -11.987 1.000 22.252  0 410 ILE EEE CG2 1 ? 4  
ATOM   1599 C  CD1 . ILE B 2 81  ? 16.184  -24.857 -12.295 1.000 23.772  0 410 ILE EEE CD1 1 ? 4  
ATOM   1600 N  N   . ALA B 2 82  ? 20.355  -23.163 -9.539  1.000 25.732  0 411 ALA EEE N   1 ? 4  
ATOM   1601 C  CA  . ALA B 2 82  ? 21.469  -22.467 -8.873  1.000 26.558  0 411 ALA EEE CA  1 ? 4  
ATOM   1602 C  C   . ALA B 2 82  ? 22.766  -23.128 -9.306  1.000 27.599  0 411 ALA EEE C   1 ? 4  
ATOM   1603 O  O   . ALA B 2 82  ? 22.771  -24.297 -9.686  1.000 28.829  0 411 ALA EEE O   1 ? 4  
ATOM   1604 C  CB  . ALA B 2 82  ? 21.312  -22.500 -7.372  1.000 28.780  0 411 ALA EEE CB  1 ? 4  
ATOM   1605 N  N   . PRO B 2 83  ? 23.901  -22.412 -9.253  1.000 29.221  0 412 PRO EEE N   1 ? 4  
ATOM   1606 C  CA  . PRO B 2 83  ? 25.185  -23.019 -9.590  1.000 29.648  0 412 PRO EEE CA  1 ? 4  
ATOM   1607 C  C   . PRO B 2 83  ? 25.501  -24.198 -8.660  1.000 31.104  0 412 PRO EEE C   1 ? 4  
ATOM   1608 O  O   . PRO B 2 83  ? 25.182  -24.116 -7.462  1.000 33.801  0 412 PRO EEE O   1 ? 4  
ATOM   1609 C  CB  . PRO B 2 83  ? 26.193  -21.885 -9.401  1.000 32.844  0 412 PRO EEE CB  1 ? 4  
ATOM   1610 C  CG  . PRO B 2 83  ? 25.364  -20.632 -9.456  1.000 31.557  0 412 PRO EEE CG  1 ? 4  
ATOM   1611 C  CD  . PRO B 2 83  ? 24.017  -21.000 -8.880  1.000 30.396  0 412 PRO EEE CD  1 ? 4  
ATOM   1612 N  N   . GLY B 2 84  ? 26.111  -25.253 -9.206  1.000 31.595  0 413 GLY EEE N   1 ? 4  
ATOM   1613 C  CA  . GLY B 2 84  ? 26.682  -26.372 -8.424  1.000 33.118  0 413 GLY EEE CA  1 ? 4  
ATOM   1614 C  C   . GLY B 2 84  ? 25.633  -27.283 -7.809  1.000 33.775  0 413 GLY EEE C   1 ? 4  
ATOM   1615 O  O   . GLY B 2 84  ? 25.975  -28.009 -6.850  1.000 38.082  0 413 GLY EEE O   1 ? 4  
ATOM   1616 N  N   . GLN B 2 85  ? 24.407  -27.274 -8.324  1.000 29.752  0 414 GLN EEE N   1 ? 4  
ATOM   1617 C  CA  . GLN B 2 85  ? 23.307  -28.144 -7.837  1.000 29.281  0 414 GLN EEE CA  1 ? 4  
ATOM   1618 C  C   . GLN B 2 85  ? 23.259  -29.427 -8.663  1.000 31.150  0 414 GLN EEE C   1 ? 4  
ATOM   1619 O  O   . GLN B 2 85  ? 23.668  -29.401 -9.866  1.000 30.365  0 414 GLN EEE O   1 ? 4  
ATOM   1620 C  CB  . GLN B 2 85  ? 21.972  -27.412 -7.908  1.000 32.265  0 414 GLN EEE CB  1 ? 4  
ATOM   1621 C  CG  . GLN B 2 85  ? 21.865  -26.249 -6.939  1.000 35.074  0 414 GLN EEE CG  1 ? 4  
ATOM   1622 C  CD  . GLN B 2 85  ? 22.115  -26.660 -5.507  1.000 37.860  0 414 GLN EEE CD  1 ? 4  
ATOM   1623 O  OE1 . GLN B 2 85  ? 21.430  -27.513 -4.940  1.000 38.600  0 414 GLN EEE OE1 1 ? 4  
ATOM   1624 N  NE2 . GLN B 2 85  ? 23.136  -26.073 -4.918  1.000 47.571  0 414 GLN EEE NE2 1 ? 4  
ATOM   1625 N  N   . THR B 2 86  ? 22.773  -30.503 -8.046  1.000 30.376  0 415 THR EEE N   1 ? 4  
ATOM   1626 C  CA  . THR B 2 86  ? 22.488  -31.803 -8.714  1.000 31.510  0 415 THR EEE CA  1 ? 4  
ATOM   1627 C  C   . THR B 2 86  ? 20.998  -32.122 -8.569  1.000 29.981  0 415 THR EEE C   1 ? 4  
ATOM   1628 O  O   . THR B 2 86  ? 20.296  -31.510 -7.716  1.000 32.346  0 415 THR EEE O   1 ? 4  
ATOM   1629 C  CB  . THR B 2 86  ? 23.381  -32.922 -8.162  1.000 37.235  0 415 THR EEE CB  1 ? 4  
ATOM   1630 O  OG1 . THR B 2 86  ? 22.999  -33.130 -6.807  1.000 40.655  0 415 THR EEE OG1 1 ? 4  
ATOM   1631 C  CG2 . THR B 2 86  ? 24.858  -32.593 -8.212  1.000 43.070  0 415 THR EEE CG2 1 ? 4  
ATOM   1632 N  N   . GLY B 2 87  ? 20.544  -33.071 -9.372  1.000 27.823  0 416 GLY EEE N   1 ? 4  
ATOM   1633 C  CA  . GLY B 2 87  ? 19.132  -33.465 -9.489  1.000 28.833  0 416 GLY EEE CA  1 ? 4  
ATOM   1634 C  C   . GLY B 2 87  ? 18.727  -33.513 -10.952 1.000 24.827  0 416 GLY EEE C   1 ? 4  
ATOM   1635 O  O   . GLY B 2 87  ? 19.517  -33.051 -11.808 1.000 25.079  0 416 GLY EEE O   1 ? 4  
ATOM   1636 N  N   . LYS B 2 88  ? 17.544  -34.033 -11.237 1.000 24.455  0 417 LYS EEE N   1 ? 4  
ATOM   1637 C  CA  . LYS B 2 88  ? 17.092  -34.272 -12.636 1.000 24.749  0 417 LYS EEE CA  1 ? 4  
ATOM   1638 C  C   . LYS B 2 88  ? 17.064  -32.947 -13.403 1.000 23.189  0 417 LYS EEE C   1 ? 4  
ATOM   1639 O  O   . LYS B 2 88  ? 17.428  -32.938 -14.600 1.000 22.662  0 417 LYS EEE O   1 ? 4  
ATOM   1640 C  CB  . LYS B 2 88  ? 15.710  -34.925 -12.682 1.000 26.465  0 417 LYS EEE CB  1 ? 4  
ATOM   1641 C  CG  . LYS B 2 88  ? 15.597  -36.301 -12.041 1.000 28.692  0 417 LYS EEE CG  1 ? 4  
ATOM   1642 C  CD  . LYS B 2 88  ? 16.592  -37.285 -12.568 1.000 33.067  0 417 LYS EEE CD  1 ? 4  
ATOM   1643 C  CE  . LYS B 2 88  ? 16.189  -38.727 -12.328 1.000 38.779  0 417 LYS EEE CE  1 ? 4  
ATOM   1644 N  NZ  . LYS B 2 88  ? 16.331  -39.096 -10.915 1.000 45.951  0 417 LYS EEE NZ  1 ? 4  
ATOM   1645 N  N   . ILE B 2 89  ? 16.659  -31.851 -12.773 1.000 21.465  0 418 ILE EEE N   1 ? 4  
ATOM   1646 C  CA  . ILE B 2 89  ? 16.556  -30.545 -13.486 1.000 20.988  0 418 ILE EEE CA  1 ? 4  
ATOM   1647 C  C   . ILE B 2 89  ? 17.954  -30.011 -13.784 1.000 20.880  0 418 ILE EEE C   1 ? 4  
ATOM   1648 O  O   . ILE B 2 89  ? 18.246  -29.746 -14.977 1.000 22.360  0 418 ILE EEE O   1 ? 4  
ATOM   1649 C  CB  . ILE B 2 89  ? 15.682  -29.531 -12.730 1.000 22.080  0 418 ILE EEE CB  1 ? 4  
ATOM   1650 C  CG1 . ILE B 2 89  ? 14.295  -30.109 -12.460 1.000 22.843  0 418 ILE EEE CG1 1 ? 4  
ATOM   1651 C  CG2 . ILE B 2 89  ? 15.600  -28.231 -13.523 1.000 22.242  0 418 ILE EEE CG2 1 ? 4  
ATOM   1652 C  CD1 . ILE B 2 89  ? 13.568  -30.630 -13.684 1.000 23.057  0 418 ILE EEE CD1 1 ? 4  
ATOM   1653 N  N   . ALA B 2 90  ? 18.806  -29.829 -12.775 1.000 21.260  0 419 ALA EEE N   1 ? 4  
ATOM   1654 C  CA  . ALA B 2 90  ? 20.161  -29.267 -12.996 1.000 22.719  0 419 ALA EEE CA  1 ? 4  
ATOM   1655 C  C   . ALA B 2 90  ? 20.951  -30.181 -13.943 1.000 22.770  0 419 ALA EEE C   1 ? 4  
ATOM   1656 O  O   . ALA B 2 90  ? 21.762  -29.659 -14.705 1.000 26.926  0 419 ALA EEE O   1 ? 4  
ATOM   1657 C  CB  . ALA B 2 90  ? 20.914  -29.075 -11.697 1.000 24.247  0 419 ALA EEE CB  1 ? 4  
ATOM   1658 N  N   . ASP B 2 91  ? 20.797  -31.497 -13.834 1.000 23.025  0 420 ASP EEE N   1 ? 4  
ATOM   1659 C  CA  . ASP B 2 91  ? 21.637  -32.468 -14.588 1.000 23.901  0 420 ASP EEE CA  1 ? 4  
ATOM   1660 C  C   . ASP B 2 91  ? 21.132  -32.565 -16.031 1.000 23.903  0 420 ASP EEE C   1 ? 4  
ATOM   1661 O  O   . ASP B 2 91  ? 21.995  -32.645 -16.930 1.000 25.095  0 420 ASP EEE O   1 ? 4  
ATOM   1662 C  CB  . ASP B 2 91  ? 21.649  -33.869 -13.964 1.000 27.075  0 420 ASP EEE CB  1 ? 4  
ATOM   1663 C  CG  . ASP B 2 91  ? 22.254  -33.981 -12.563 1.000 31.701  0 420 ASP EEE CG  1 ? 4  
ATOM   1664 O  OD1 . ASP B 2 91  ? 22.958  -33.058 -12.133 1.000 32.581  0 420 ASP EEE OD1 1 ? 4  
ATOM   1665 O  OD2 . ASP B 2 91  ? 22.048  -35.039 -11.925 1.000 36.155  0 420 ASP EEE OD2 1 ? 4  
ATOM   1666 N  N   . TYR B 2 92  ? 19.813  -32.615 -16.252 1.000 21.960  0 421 TYR EEE N   1 ? 4  
ATOM   1667 C  CA  . TYR B 2 92  ? 19.254  -33.077 -17.552 1.000 22.105  0 421 TYR EEE CA  1 ? 4  
ATOM   1668 C  C   . TYR B 2 92  ? 18.389  -32.022 -18.255 1.000 20.585  0 421 TYR EEE C   1 ? 4  
ATOM   1669 O  O   . TYR B 2 92  ? 17.991  -32.310 -19.415 1.000 22.796  0 421 TYR EEE O   1 ? 4  
ATOM   1670 C  CB  . TYR B 2 92  ? 18.453  -34.361 -17.360 1.000 21.733  0 421 TYR EEE CB  1 ? 4  
ATOM   1671 C  CG  . TYR B 2 92  ? 19.189  -35.503 -16.705 1.000 21.908  0 421 TYR EEE CG  1 ? 4  
ATOM   1672 C  CD1 . TYR B 2 92  ? 20.554  -35.693 -16.868 1.000 22.460  0 421 TYR EEE CD1 1 ? 4  
ATOM   1673 C  CD2 . TYR B 2 92  ? 18.496  -36.423 -15.936 1.000 24.214  0 421 TYR EEE CD2 1 ? 4  
ATOM   1674 C  CE1 . TYR B 2 92  ? 21.214  -36.754 -16.273 1.000 25.001  0 421 TYR EEE CE1 1 ? 4  
ATOM   1675 C  CE2 . TYR B 2 92  ? 19.134  -37.502 -15.356 1.000 26.674  0 421 TYR EEE CE2 1 ? 4  
ATOM   1676 C  CZ  . TYR B 2 92  ? 20.494  -37.669 -15.528 1.000 25.109  0 421 TYR EEE CZ  1 ? 4  
ATOM   1677 O  OH  . TYR B 2 92  ? 21.109  -38.724 -14.944 1.000 28.514  0 421 TYR EEE OH  1 ? 4  
ATOM   1678 N  N   . ASN B 2 93  ? 18.077  -30.878 -17.628 1.000 21.188  0 422 ASN EEE N   1 ? 4  
ATOM   1679 C  CA  . ASN B 2 93  ? 17.043  -29.948 -18.161 1.000 19.503  0 422 ASN EEE CA  1 ? 4  
ATOM   1680 C  C   . ASN B 2 93  ? 17.564  -28.526 -18.337 1.000 20.245  0 422 ASN EEE C   1 ? 4  
ATOM   1681 O  O   . ASN B 2 93  ? 17.410  -27.948 -19.461 1.000 21.060  0 422 ASN EEE O   1 ? 4  
ATOM   1682 C  CB  . ASN B 2 93  ? 15.786  -29.962 -17.302 1.000 20.871  0 422 ASN EEE CB  1 ? 4  
ATOM   1683 C  CG  . ASN B 2 93  ? 15.024  -31.256 -17.431 1.000 18.980  0 422 ASN EEE CG  1 ? 4  
ATOM   1684 O  OD1 . ASN B 2 93  ? 14.076  -31.350 -18.210 1.000 20.008  0 422 ASN EEE OD1 1 ? 4  
ATOM   1685 N  ND2 . ASN B 2 93  ? 15.451  -32.267 -16.691 1.000 20.773  0 422 ASN EEE ND2 1 ? 4  
ATOM   1686 N  N   . TYR B 2 94  ? 18.098  -27.932 -17.271 1.000 18.969  0 423 TYR EEE N   1 ? 4  
ATOM   1687 C  CA  . TYR B 2 94  ? 18.540  -26.529 -17.251 1.000 19.755  0 423 TYR EEE CA  1 ? 4  
ATOM   1688 C  C   . TYR B 2 94  ? 19.697  -26.402 -16.267 1.000 21.374  0 423 TYR EEE C   1 ? 4  
ATOM   1689 O  O   . TYR B 2 94  ? 19.510  -26.694 -15.073 1.000 23.273  0 423 TYR EEE O   1 ? 4  
ATOM   1690 C  CB  . TYR B 2 94  ? 17.398  -25.564 -16.931 1.000 20.653  0 423 TYR EEE CB  1 ? 4  
ATOM   1691 C  CG  . TYR B 2 94  ? 17.798  -24.125 -17.109 1.000 20.531  0 423 TYR EEE CG  1 ? 4  
ATOM   1692 C  CD1 . TYR B 2 94  ? 17.707  -23.493 -18.349 1.000 19.333  0 423 TYR EEE CD1 1 ? 4  
ATOM   1693 C  CD2 . TYR B 2 94  ? 18.337  -23.401 -16.054 1.000 21.019  0 423 TYR EEE CD2 1 ? 4  
ATOM   1694 C  CE1 . TYR B 2 94  ? 18.106  -22.175 -18.513 1.000 21.720  0 423 TYR EEE CE1 1 ? 4  
ATOM   1695 C  CE2 . TYR B 2 94  ? 18.720  -22.080 -16.203 1.000 22.180  0 423 TYR EEE CE2 1 ? 4  
ATOM   1696 C  CZ  . TYR B 2 94  ? 18.613  -21.457 -17.434 1.000 21.721  0 423 TYR EEE CZ  1 ? 4  
ATOM   1697 O  OH  . TYR B 2 94  ? 19.014  -20.157 -17.561 1.000 22.263  0 423 TYR EEE OH  1 ? 4  
ATOM   1698 N  N   . LYS B 2 95  ? 20.851  -26.007 -16.786 1.000 21.922  0 424 LYS EEE N   1 ? 4  
ATOM   1699 C  CA  . LYS B 2 95  ? 22.140  -25.987 -16.054 1.000 22.718  0 424 LYS EEE CA  1 ? 4  
ATOM   1700 C  C   . LYS B 2 95  ? 22.744  -24.586 -16.085 1.000 23.367  0 424 LYS EEE C   1 ? 4  
ATOM   1701 O  O   . LYS B 2 95  ? 22.909  -23.991 -17.179 1.000 24.359  0 424 LYS EEE O   1 ? 4  
ATOM   1702 C  CB  . LYS B 2 95  ? 23.105  -27.002 -16.669 1.000 24.215  0 424 LYS EEE CB  1 ? 4  
ATOM   1703 C  CG  . LYS B 2 95  ? 24.513  -26.967 -16.099 1.000 25.981  0 424 LYS EEE CG  1 ? 4  
ATOM   1704 C  CD  . LYS B 2 95  ? 24.633  -27.406 -14.675 1.000 28.633  0 424 LYS EEE CD  1 ? 4  
ATOM   1705 C  CE  . LYS B 2 95  ? 26.093  -27.531 -14.308 1.000 32.967  0 424 LYS EEE CE  1 ? 4  
ATOM   1706 N  NZ  . LYS B 2 95  ? 26.298  -27.998 -12.922 1.000 37.298  0 424 LYS EEE NZ  1 ? 4  
ATOM   1707 N  N   . LEU B 2 96  ? 23.079  -24.063 -14.911 1.000 24.966  0 425 LEU EEE N   1 ? 4  
ATOM   1708 C  CA  . LEU B 2 96  ? 23.825  -22.795 -14.770 1.000 25.478  0 425 LEU EEE CA  1 ? 4  
ATOM   1709 C  C   . LEU B 2 96  ? 25.304  -23.113 -14.612 1.000 26.964  0 425 LEU EEE C   1 ? 4  
ATOM   1710 O  O   . LEU B 2 96  ? 25.668  -24.137 -14.036 1.000 29.012  0 425 LEU EEE O   1 ? 4  
ATOM   1711 C  CB  . LEU B 2 96  ? 23.304  -22.044 -13.544 1.000 25.515  0 425 LEU EEE CB  1 ? 4  
ATOM   1712 C  CG  . LEU B 2 96  ? 21.890  -21.509 -13.680 1.000 26.622  0 425 LEU EEE CG  1 ? 4  
ATOM   1713 C  CD1 . LEU B 2 96  ? 21.404  -20.938 -12.362 1.000 29.234  0 425 LEU EEE CD1 1 ? 4  
ATOM   1714 C  CD2 . LEU B 2 96  ? 21.812  -20.475 -14.792 1.000 28.088  0 425 LEU EEE CD2 1 ? 4  
ATOM   1715 N  N   . PRO B 2 97  ? 26.195  -22.230 -15.100 1.000 27.456  0 426 PRO EEE N   1 ? 4  
ATOM   1716 C  CA  . PRO B 2 97  ? 27.631  -22.426 -14.931 1.000 29.049  0 426 PRO EEE CA  1 ? 4  
ATOM   1717 C  C   . PRO B 2 97  ? 28.059  -22.202 -13.472 1.000 29.835  0 426 PRO EEE C   1 ? 4  
ATOM   1718 O  O   . PRO B 2 97  ? 27.367  -21.517 -12.714 1.000 29.582  0 426 PRO EEE O   1 ? 4  
ATOM   1719 C  CB  . PRO B 2 97  ? 28.259  -21.397 -15.884 1.000 30.937  0 426 PRO EEE CB  1 ? 4  
ATOM   1720 C  CG  . PRO B 2 97  ? 27.203  -20.314 -16.035 1.000 30.519  0 426 PRO EEE CG  1 ? 4  
ATOM   1721 C  CD  . PRO B 2 97  ? 25.864  -20.988 -15.807 1.000 28.076  0 426 PRO EEE CD  1 ? 4  
ATOM   1722 N  N   . ASP B 2 98  ? 29.170  -22.825 -13.093 1.000 31.983  0 427 ASP EEE N   1 ? 4  
ATOM   1723 C  CA  . ASP B 2 98  ? 29.751  -22.695 -11.738 1.000 34.638  0 427 ASP EEE CA  1 ? 4  
ATOM   1724 C  C   . ASP B 2 98  ? 29.977  -21.213 -11.432 1.000 34.251  0 427 ASP EEE C   1 ? 4  
ATOM   1725 O  O   . ASP B 2 98  ? 29.769  -20.828 -10.272 1.000 38.719  0 427 ASP EEE O   1 ? 4  
ATOM   1726 C  CB  . ASP B 2 98  ? 31.030  -23.518 -11.610 1.000 38.671  0 427 ASP EEE CB  1 ? 4  
ATOM   1727 C  CG  . ASP B 2 98  ? 30.786  -25.015 -11.577 1.000 41.138  0 427 ASP EEE CG  1 ? 4  
ATOM   1728 O  OD1 . ASP B 2 98  ? 29.602  -25.439 -11.470 1.000 39.690  0 427 ASP EEE OD1 1 ? 4  
ATOM   1729 O  OD2 . ASP B 2 98  ? 31.780  -25.744 -11.650 1.000 43.108  0 427 ASP EEE OD2 1 ? 4  
ATOM   1730 N  N   . ASP B 2 99  ? 30.389  -20.423 -12.427 1.000 35.162  0 428 ASP EEE N   1 ? 4  
ATOM   1731 C  CA  . ASP B 2 99  ? 30.769  -18.989 -12.269 1.000 38.975  0 428 ASP EEE CA  1 ? 4  
ATOM   1732 C  C   . ASP B 2 99  ? 29.620  -18.078 -12.732 1.000 34.919  0 428 ASP EEE C   1 ? 4  
ATOM   1733 O  O   . ASP B 2 99  ? 29.901  -16.939 -13.166 1.000 35.883  0 428 ASP EEE O   1 ? 4  
ATOM   1734 C  CB  . ASP B 2 99  ? 32.071  -18.683 -13.019 1.000 45.453  0 428 ASP EEE CB  1 ? 4  
ATOM   1735 C  CG  . ASP B 2 99  ? 31.964  -18.809 -14.530 1.000 44.327  0 428 ASP EEE CG  1 ? 4  
ATOM   1736 O  OD1 . ASP B 2 99  ? 30.909  -19.278 -15.007 1.000 41.133  0 428 ASP EEE OD1 1 ? 4  
ATOM   1737 O  OD2 . ASP B 2 99  ? 32.938  -18.447 -15.219 1.000 49.642  0 428 ASP EEE OD2 1 ? 4  
ATOM   1738 N  N   . PHE B 2 100 ? 28.372  -18.529 -12.593 1.000 33.387  0 429 PHE EEE N   1 ? 4  
ATOM   1739 C  CA  . PHE B 2 100 ? 27.158  -17.800 -13.042 1.000 30.363  0 429 PHE EEE CA  1 ? 4  
ATOM   1740 C  C   . PHE B 2 100 ? 27.164  -16.366 -12.510 1.000 31.119  0 429 PHE EEE C   1 ? 4  
ATOM   1741 O  O   . PHE B 2 100 ? 27.402  -16.148 -11.303 1.000 33.009  0 429 PHE EEE O   1 ? 4  
ATOM   1742 C  CB  . PHE B 2 100 ? 25.881  -18.497 -12.574 1.000 28.369  0 429 PHE EEE CB  1 ? 4  
ATOM   1743 C  CG  . PHE B 2 100 ? 24.596  -17.826 -13.000 1.000 26.696  0 429 PHE EEE CG  1 ? 4  
ATOM   1744 C  CD1 . PHE B 2 100 ? 24.386  -17.423 -14.314 1.000 27.377  0 429 PHE EEE CD1 1 ? 4  
ATOM   1745 C  CD2 . PHE B 2 100 ? 23.575  -17.623 -12.088 1.000 26.616  0 429 PHE EEE CD2 1 ? 4  
ATOM   1746 C  CE1 . PHE B 2 100 ? 23.194  -16.820 -14.685 1.000 26.226  0 429 PHE EEE CE1 1 ? 4  
ATOM   1747 C  CE2 . PHE B 2 100 ? 22.394  -17.004 -12.461 1.000 27.963  0 429 PHE EEE CE2 1 ? 4  
ATOM   1748 C  CZ  . PHE B 2 100 ? 22.193  -16.619 -13.759 1.000 27.102  0 429 PHE EEE CZ  1 ? 4  
ATOM   1749 N  N   . THR B 2 101 ? 26.934  -15.410 -13.412 1.000 30.894  0 430 THR EEE N   1 ? 4  
ATOM   1750 C  CA  . THR B 2 101 ? 26.608  -13.999 -13.093 1.000 31.173  0 430 THR EEE CA  1 ? 4  
ATOM   1751 C  C   . THR B 2 101 ? 25.176  -13.754 -13.553 1.000 29.815  0 430 THR EEE C   1 ? 4  
ATOM   1752 O  O   . THR B 2 101 ? 24.919  -13.789 -14.770 1.000 30.934  0 430 THR EEE O   1 ? 4  
ATOM   1753 C  CB  . THR B 2 101 ? 27.566  -13.003 -13.755 1.000 32.887  0 430 THR EEE CB  1 ? 4  
ATOM   1754 O  OG1 . THR B 2 101 ? 28.902  -13.306 -13.366 1.000 35.107  0 430 THR EEE OG1 1 ? 4  
ATOM   1755 C  CG2 . THR B 2 101 ? 27.261  -11.570 -13.382 1.000 35.782  0 430 THR EEE CG2 1 ? 4  
ATOM   1756 N  N   . GLY B 2 102 ? 24.256  -13.576 -12.619 1.000 29.427  0 431 GLY EEE N   1 ? 4  
ATOM   1757 C  CA  . GLY B 2 102 ? 22.874  -13.244 -12.970 1.000 27.604  0 431 GLY EEE CA  1 ? 4  
ATOM   1758 C  C   . GLY B 2 102 ? 21.936  -13.588 -11.847 1.000 26.835  0 431 GLY EEE C   1 ? 4  
ATOM   1759 O  O   . GLY B 2 102 ? 22.415  -13.761 -10.708 1.000 28.097  0 431 GLY EEE O   1 ? 4  
ATOM   1760 N  N   . CYS B 2 103 ? 20.646  -13.667 -12.147 1.000 26.483  0 432 CYS EEE N   1 ? 4  
ATOM   1761 C  CA  . CYS B 2 103 ? 19.602  -13.807 -11.109 1.000 25.016  0 432 CYS EEE CA  1 ? 4  
ATOM   1762 C  C   . CYS B 2 103 ? 18.625  -14.916 -11.453 1.000 26.213  0 432 CYS EEE C   1 ? 4  
ATOM   1763 O  O   . CYS B 2 103 ? 18.302  -15.109 -12.636 1.000 25.922  0 432 CYS EEE O   1 ? 4  
ATOM   1764 C  CB  . CYS B 2 103 ? 18.875  -12.493 -10.869 1.000 28.574  0 432 CYS EEE CB  1 ? 4  
ATOM   1765 S  SG  . CYS B 2 103 ? 20.010  -11.143 -10.470 1.000 30.965  0 432 CYS EEE SG  1 ? 4  
ATOM   1766 N  N   . VAL B 2 104 ? 18.155  -15.583 -10.410 1.000 24.132  0 433 VAL EEE N   1 ? 4  
ATOM   1767 C  CA  . VAL B 2 104 ? 17.138  -16.655 -10.476 1.000 24.788  0 433 VAL EEE CA  1 ? 4  
ATOM   1768 C  C   . VAL B 2 104 ? 15.912  -16.151 -9.728  1.000 24.271  0 433 VAL EEE C   1 ? 4  
ATOM   1769 O  O   . VAL B 2 104 ? 16.052  -15.750 -8.551  1.000 25.089  0 433 VAL EEE O   1 ? 4  
ATOM   1770 C  CB  . VAL B 2 104 ? 17.659  -17.986 -9.912  1.000 23.777  0 433 VAL EEE CB  1 ? 4  
ATOM   1771 C  CG1 . VAL B 2 104 ? 16.564  -19.034 -9.923  1.000 24.739  0 433 VAL EEE CG1 1 ? 4  
ATOM   1772 C  CG2 . VAL B 2 104 ? 18.899  -18.453 -10.662 1.000 24.319  0 433 VAL EEE CG2 1 ? 4  
ATOM   1773 N  N   . ILE B 2 105 ? 14.770  -16.139 -10.416 1.000 23.336  0 434 ILE EEE N   1 ? 4  
ATOM   1774 C  CA  . ILE B 2 105 ? 13.491  -15.582 -9.894  1.000 24.179  0 434 ILE EEE CA  1 ? 4  
ATOM   1775 C  C   . ILE B 2 105 ? 12.438  -16.677 -10.023 1.000 24.766  0 434 ILE EEE C   1 ? 4  
ATOM   1776 O  O   . ILE B 2 105 ? 12.363  -17.329 -11.090 1.000 24.406  0 434 ILE EEE O   1 ? 4  
ATOM   1777 C  CB  . ILE B 2 105 ? 13.104  -14.316 -10.683 1.000 24.511  0 434 ILE EEE CB  1 ? 4  
ATOM   1778 C  CG1 . ILE B 2 105 ? 14.262  -13.318 -10.760 1.000 25.798  0 434 ILE EEE CG1 1 ? 4  
ATOM   1779 C  CG2 . ILE B 2 105 ? 11.838  -13.692 -10.112 1.000 26.480  0 434 ILE EEE CG2 1 ? 4  
ATOM   1780 C  CD1 . ILE B 2 105 ? 14.113  -12.277 -11.853 1.000 26.881  0 434 ILE EEE CD1 1 ? 4  
ATOM   1781 N  N   . ALA B 2 106 ? 11.626  -16.905 -9.005  1.000 23.572  0 435 ALA EEE N   1 ? 4  
ATOM   1782 C  CA  . ALA B 2 106 ? 10.588  -17.951 -9.097  1.000 24.816  0 435 ALA EEE CA  1 ? 4  
ATOM   1783 C  C   . ALA B 2 106 ? 9.382   -17.554 -8.257  1.000 24.106  0 435 ALA EEE C   1 ? 4  
ATOM   1784 O  O   . ALA B 2 106 ? 9.526   -16.739 -7.324  1.000 26.894  0 435 ALA EEE O   1 ? 4  
ATOM   1785 C  CB  . ALA B 2 106 ? 11.135  -19.302 -8.686  1.000 25.294  0 435 ALA EEE CB  1 ? 4  
ATOM   1786 N  N   . TRP B 2 107 ? 8.226   -18.090 -8.628  1.000 24.226  0 436 TRP EEE N   1 ? 4  
ATOM   1787 C  CA  . TRP B 2 107 ? 6.946   -17.843 -7.936  1.000 25.098  0 436 TRP EEE CA  1 ? 4  
ATOM   1788 C  C   . TRP B 2 107 ? 6.019   -19.027 -8.168  1.000 24.610  0 436 TRP EEE C   1 ? 4  
ATOM   1789 O  O   . TRP B 2 107 ? 6.125   -19.715 -9.200  1.000 24.240  0 436 TRP EEE O   1 ? 4  
ATOM   1790 C  CB  . TRP B 2 107 ? 6.309   -16.517 -8.362  1.000 26.868  0 436 TRP EEE CB  1 ? 4  
ATOM   1791 C  CG  . TRP B 2 107 ? 5.898   -16.410 -9.795  1.000 28.011  0 436 TRP EEE CG  1 ? 4  
ATOM   1792 C  CD1 . TRP B 2 107 ? 4.633   -16.534 -10.294 1.000 28.785  0 436 TRP EEE CD1 1 ? 4  
ATOM   1793 C  CD2 . TRP B 2 107 ? 6.746   -16.086 -10.916 1.000 26.027  0 436 TRP EEE CD2 1 ? 4  
ATOM   1794 N  NE1 . TRP B 2 107 ? 4.646   -16.324 -11.649 1.000 28.329  0 436 TRP EEE NE1 1 ? 4  
ATOM   1795 C  CE2 . TRP B 2 107 ? 5.923   -16.050 -12.054 1.000 26.073  0 436 TRP EEE CE2 1 ? 4  
ATOM   1796 C  CE3 . TRP B 2 107 ? 8.114   -15.843 -11.065 1.000 26.776  0 436 TRP EEE CE3 1 ? 4  
ATOM   1797 C  CZ2 . TRP B 2 107 ? 6.435   -15.778 -13.326 1.000 25.470  0 436 TRP EEE CZ2 1 ? 4  
ATOM   1798 C  CZ3 . TRP B 2 107 ? 8.624   -15.575 -12.309 1.000 25.967  0 436 TRP EEE CZ3 1 ? 4  
ATOM   1799 C  CH2 . TRP B 2 107 ? 7.788   -15.544 -13.427 1.000 24.812  0 436 TRP EEE CH2 1 ? 4  
ATOM   1800 N  N   . ASN B 2 108 ? 5.153   -19.265 -7.201  1.000 25.426  0 437 ASN EEE N   1 ? 4  
ATOM   1801 C  CA  . ASN B 2 108 ? 4.161   -20.359 -7.256  1.000 26.297  0 437 ASN EEE CA  1 ? 4  
ATOM   1802 C  C   . ASN B 2 108 ? 3.141   -20.029 -8.351  1.000 26.625  0 437 ASN EEE C   1 ? 4  
ATOM   1803 O  O   . ASN B 2 108 ? 2.621   -18.909 -8.346  1.000 26.433  0 437 ASN EEE O   1 ? 4  
ATOM   1804 C  CB  . ASN B 2 108 ? 3.524   -20.538 -5.881  1.000 27.201  0 437 ASN EEE CB  1 ? 4  
ATOM   1805 C  CG  . ASN B 2 108 ? 2.552   -21.692 -5.849  1.000 27.575  0 437 ASN EEE CG  1 ? 4  
ATOM   1806 O  OD1 . ASN B 2 108 ? 1.514   -21.649 -6.505  1.000 28.391  0 437 ASN EEE OD1 1 ? 4  
ATOM   1807 N  ND2 . ASN B 2 108 ? 2.876   -22.719 -5.084  1.000 27.789  0 437 ASN EEE ND2 1 ? 4  
ATOM   1808 N  N   . SER B 2 109 ? 2.893   -20.964 -9.273  1.000 25.009  0 438 SER EEE N   1 ? 4  
ATOM   1809 C  CA  . SER B 2 109 ? 1.947   -20.758 -10.395 1.000 25.278  0 438 SER EEE CA  1 ? 4  
ATOM   1810 C  C   . SER B 2 109 ? 0.814   -21.778 -10.345 1.000 25.194  0 438 SER EEE C   1 ? 4  
ATOM   1811 O  O   . SER B 2 109 ? 0.182   -22.019 -11.387 1.000 26.837  0 438 SER EEE O   1 ? 4  
ATOM   1812 C  CB  . SER B 2 109 ? 2.689   -20.808 -11.707 1.000 23.357  0 438 SER EEE CB  1 ? 4  
ATOM   1813 O  OG  . SER B 2 109 ? 3.308   -22.064 -11.908 1.000 23.842  0 438 SER EEE OG  1 ? 4  
ATOM   1814 N  N   . ASN B 2 110 ? 0.519   -22.326 -9.167  1.000 25.926  0 439 ASN EEE N   1 ? 4  
ATOM   1815 C  CA  . ASN B 2 110 ? -0.594  -23.293 -9.001  1.000 26.335  0 439 ASN EEE CA  1 ? 4  
ATOM   1816 C  C   . ASN B 2 110 ? -1.882  -22.755 -9.645  1.000 27.424  0 439 ASN EEE C   1 ? 4  
ATOM   1817 O  O   . ASN B 2 110 ? -2.598  -23.563 -10.262 1.000 29.527  0 439 ASN EEE O   1 ? 4  
ATOM   1818 C  CB  . ASN B 2 110 ? -0.835  -23.624 -7.529  1.000 28.146  0 439 ASN EEE CB  1 ? 4  
ATOM   1819 C  CG  . ASN B 2 110 ? -1.541  -24.950 -7.344  1.000 27.140  0 439 ASN EEE CG  1 ? 4  
ATOM   1820 O  OD1 . ASN B 2 110 ? -1.306  -25.911 -8.086  1.000 27.981  0 439 ASN EEE OD1 1 ? 4  
ATOM   1821 N  ND2 . ASN B 2 110 ? -2.389  -25.018 -6.341  1.000 30.743  0 439 ASN EEE ND2 1 ? 4  
ATOM   1822 N  N   . ASN B 2 111 ? -2.191  -21.466 -9.462  1.000 28.492  0 440 ASN EEE N   1 ? 4  
ATOM   1823 C  CA  . ASN B 2 111 ? -3.457  -20.833 -9.928  1.000 32.202  0 440 ASN EEE CA  1 ? 4  
ATOM   1824 C  C   . ASN B 2 111 ? -3.501  -20.784 -11.465 1.000 31.914  0 440 ASN EEE C   1 ? 4  
ATOM   1825 O  O   . ASN B 2 111 ? -4.606  -20.660 -12.021 1.000 34.731  0 440 ASN EEE O   1 ? 4  
ATOM   1826 C  CB  . ASN B 2 111 ? -3.656  -19.437 -9.316  1.000 36.606  0 440 ASN EEE CB  1 ? 4  
ATOM   1827 C  CG  . ASN B 2 111 ? -2.588  -18.416 -9.689  1.000 41.210  0 440 ASN EEE CG  1 ? 4  
ATOM   1828 O  OD1 . ASN B 2 111 ? -1.401  -18.732 -9.844  1.000 41.665  0 440 ASN EEE OD1 1 ? 4  
ATOM   1829 N  ND2 . ASN B 2 111 ? -2.990  -17.161 -9.813  1.000 52.362  0 440 ASN EEE ND2 1 ? 4  
ATOM   1830 N  N   . LEU B 2 112 ? -2.352  -20.860 -12.127 1.000 28.560  0 441 LEU EEE N   1 ? 4  
ATOM   1831 C  CA  . LEU B 2 112 ? -2.229  -20.682 -13.601 1.000 29.522  0 441 LEU EEE CA  1 ? 4  
ATOM   1832 C  C   . LEU B 2 112 ? -1.999  -22.029 -14.292 1.000 27.184  0 441 LEU EEE C   1 ? 4  
ATOM   1833 O  O   . LEU B 2 112 ? -2.597  -22.257 -15.374 1.000 31.020  0 441 LEU EEE O   1 ? 4  
ATOM   1834 C  CB  . LEU B 2 112 ? -1.053  -19.747 -13.884 1.000 31.470  0 441 LEU EEE CB  1 ? 4  
ATOM   1835 C  CG  . LEU B 2 112 ? -1.161  -18.342 -13.309 1.000 34.849  0 441 LEU EEE CG  1 ? 4  
ATOM   1836 C  CD1 . LEU B 2 112 ? 0.098   -17.555 -13.620 1.000 37.059  0 441 LEU EEE CD1 1 ? 4  
ATOM   1837 C  CD2 . LEU B 2 112 ? -2.396  -17.629 -13.841 1.000 40.066  0 441 LEU EEE CD2 1 ? 4  
ATOM   1838 N  N   . ASP B 2 113 ? -1.157  -22.880 -13.714 1.000 25.460  0 442 ASP EEE N   1 ? 4  
ATOM   1839 C  CA  . ASP B 2 113 ? -0.561  -24.034 -14.427 1.000 23.834  0 442 ASP EEE CA  1 ? 4  
ATOM   1840 C  C   . ASP B 2 113 ? -1.117  -25.383 -13.952 1.000 23.462  0 442 ASP EEE C   1 ? 4  
ATOM   1841 O  O   . ASP B 2 113 ? -0.766  -26.395 -14.570 1.000 25.815  0 442 ASP EEE O   1 ? 4  
ATOM   1842 C  CB  . ASP B 2 113 ? 0.953   -23.980 -14.295 1.000 23.501  0 442 ASP EEE CB  1 ? 4  
ATOM   1843 C  CG  . ASP B 2 113 ? 1.569   -22.851 -15.100 1.000 23.575  0 442 ASP EEE CG  1 ? 4  
ATOM   1844 O  OD1 . ASP B 2 113 ? 1.080   -22.602 -16.254 1.000 24.770  0 442 ASP EEE OD1 1 ? 4  
ATOM   1845 O  OD2 . ASP B 2 113 ? 2.493   -22.188 -14.566 1.000 23.501  0 442 ASP EEE OD2 1 ? 4  
ATOM   1846 N  N   . SER B 2 114 ? -1.911  -25.438 -12.885 1.000 25.415  0 443 SER EEE N   1 ? 4  
ATOM   1847 C  CA  A SER B 2 114 ? -2.581  -26.692 -12.469 0.600 26.194  0 443 SER EEE CA  1 ? 4  
ATOM   1848 C  CA  B SER B 2 114 ? -2.582  -26.691 -12.464 0.400 25.841  0 443 SER EEE CA  1 ? 4  
ATOM   1849 C  C   . SER B 2 114 ? -3.998  -26.713 -13.040 1.000 27.428  0 443 SER EEE C   1 ? 4  
ATOM   1850 O  O   . SER B 2 114 ? -4.550  -25.642 -13.280 1.000 31.098  0 443 SER EEE O   1 ? 4  
ATOM   1851 C  CB  A SER B 2 114 ? -2.624  -26.844 -10.975 0.600 28.987  0 443 SER EEE CB  1 ? 4  
ATOM   1852 C  CB  B SER B 2 114 ? -2.596  -26.851 -10.962 0.400 25.806  0 443 SER EEE CB  1 ? 4  
ATOM   1853 O  OG  A SER B 2 114 ? -3.636  -26.010 -10.440 0.600 32.054  0 443 SER EEE OG  1 ? 4  
ATOM   1854 O  OG  B SER B 2 114 ? -1.281  -26.762 -10.432 0.400 24.854  0 443 SER EEE OG  1 ? 4  
ATOM   1855 N  N   . LYS B 2 115 ? -4.539  -27.900 -13.209 1.000 29.733  0 444 LYS EEE N   1 ? 4  
ATOM   1856 C  CA  . LYS B 2 115 ? -5.907  -28.116 -13.709 1.000 31.239  0 444 LYS EEE CA  1 ? 4  
ATOM   1857 C  C   . LYS B 2 115 ? -6.488  -29.276 -12.908 1.000 30.166  0 444 LYS EEE C   1 ? 4  
ATOM   1858 O  O   . LYS B 2 115 ? -5.723  -30.203 -12.586 1.000 28.634  0 444 LYS EEE O   1 ? 4  
ATOM   1859 C  CB  . LYS B 2 115 ? -5.795  -28.417 -15.213 1.000 35.964  0 444 LYS EEE CB  1 ? 4  
ATOM   1860 C  CG  . LYS B 2 115 ? -7.091  -28.552 -15.983 1.000 44.613  0 444 LYS EEE CG  1 ? 4  
ATOM   1861 C  CD  . LYS B 2 115 ? -6.832  -28.885 -17.448 1.000 54.986  0 444 LYS EEE CD  1 ? 4  
ATOM   1862 C  CE  . LYS B 2 115 ? -8.093  -29.055 -18.269 1.000 59.126  0 444 LYS EEE CE  1 ? 4  
ATOM   1863 N  NZ  . LYS B 2 115 ? -7.810  -28.934 -19.720 1.000 70.543  0 444 LYS EEE NZ  1 ? 4  
ATOM   1864 N  N   . VAL B 2 116 ? -7.774  -29.216 -12.592 1.000 31.560  0 445 VAL EEE N   1 ? 4  
ATOM   1865 C  CA  . VAL B 2 116 ? -8.542  -30.388 -12.094 1.000 33.192  0 445 VAL EEE CA  1 ? 4  
ATOM   1866 C  C   . VAL B 2 116 ? -8.351  -31.515 -13.111 1.000 32.985  0 445 VAL EEE C   1 ? 4  
ATOM   1867 O  O   . VAL B 2 116 ? -8.570  -31.261 -14.308 1.000 37.400  0 445 VAL EEE O   1 ? 4  
ATOM   1868 C  CB  . VAL B 2 116 ? -10.031 -30.062 -11.921 1.000 37.697  0 445 VAL EEE CB  1 ? 4  
ATOM   1869 C  CG1 . VAL B 2 116 ? -10.848 -31.321 -11.668 1.000 40.343  0 445 VAL EEE CG1 1 ? 4  
ATOM   1870 C  CG2 . VAL B 2 116 ? -10.236 -29.037 -10.824 1.000 39.959  0 445 VAL EEE CG2 1 ? 4  
ATOM   1871 N  N   . GLY B 2 117 ? -7.915  -32.687 -12.651 1.000 34.742  0 446 GLY EEE N   1 ? 4  
ATOM   1872 C  CA  . GLY B 2 117 ? -7.659  -33.858 -13.509 1.000 37.688  0 446 GLY EEE CA  1 ? 4  
ATOM   1873 C  C   . GLY B 2 117 ? -6.260  -33.845 -14.093 1.000 32.375  0 446 GLY EEE C   1 ? 4  
ATOM   1874 O  O   . GLY B 2 117 ? -5.869  -34.865 -14.682 1.000 34.626  0 446 GLY EEE O   1 ? 4  
ATOM   1875 N  N   . GLY B 2 118 ? -5.511  -32.756 -13.916 1.000 28.091  0 447 GLY EEE N   1 ? 4  
ATOM   1876 C  CA  . GLY B 2 118 ? -4.095  -32.687 -14.313 1.000 27.487  0 447 GLY EEE CA  1 ? 4  
ATOM   1877 C  C   . GLY B 2 118 ? -3.870  -31.850 -15.560 1.000 26.288  0 447 GLY EEE C   1 ? 4  
ATOM   1878 O  O   . GLY B 2 118 ? -4.614  -32.011 -16.563 1.000 29.266  0 447 GLY EEE O   1 ? 4  
ATOM   1879 N  N   . ASN B 2 119 ? -2.866  -30.988 -15.487 1.000 24.792  0 448 ASN EEE N   1 ? 4  
ATOM   1880 C  CA  . ASN B 2 119 ? -2.284  -30.267 -16.637 1.000 25.839  0 448 ASN EEE CA  1 ? 4  
ATOM   1881 C  C   . ASN B 2 119 ? -1.068  -31.072 -17.072 1.000 24.575  0 448 ASN EEE C   1 ? 4  
ATOM   1882 O  O   . ASN B 2 119 ? -0.011  -30.961 -16.443 1.000 25.696  0 448 ASN EEE O   1 ? 4  
ATOM   1883 C  CB  . ASN B 2 119 ? -1.917  -28.821 -16.324 1.000 27.178  0 448 ASN EEE CB  1 ? 4  
ATOM   1884 C  CG  . ASN B 2 119 ? -1.318  -28.151 -17.535 1.000 26.456  0 448 ASN EEE CG  1 ? 4  
ATOM   1885 O  OD1 . ASN B 2 119 ? -1.227  -28.780 -18.598 1.000 27.297  0 448 ASN EEE OD1 1 ? 4  
ATOM   1886 N  ND2 . ASN B 2 119 ? -0.912  -26.908 -17.383 1.000 26.593  0 448 ASN EEE ND2 1 ? 4  
ATOM   1887 N  N   . TYR B 2 120 ? -1.228  -31.868 -18.123 1.000 26.830  0 449 TYR EEE N   1 ? 4  
ATOM   1888 C  CA  . TYR B 2 120 ? -0.157  -32.772 -18.596 1.000 27.316  0 449 TYR EEE CA  1 ? 4  
ATOM   1889 C  C   . TYR B 2 120 ? 0.749   -32.071 -19.616 1.000 24.980  0 449 TYR EEE C   1 ? 4  
ATOM   1890 O  O   . TYR B 2 120 ? 1.671   -32.744 -20.100 1.000 26.865  0 449 TYR EEE O   1 ? 4  
ATOM   1891 C  CB  . TYR B 2 120 ? -0.783  -34.068 -19.103 1.000 30.266  0 449 TYR EEE CB  1 ? 4  
ATOM   1892 C  CG  . TYR B 2 120 ? -1.350  -34.890 -17.982 1.000 29.495  0 449 TYR EEE CG  1 ? 4  
ATOM   1893 C  CD1 . TYR B 2 120 ? -0.535  -35.688 -17.197 1.000 29.363  0 449 TYR EEE CD1 1 ? 4  
ATOM   1894 C  CD2 . TYR B 2 120 ? -2.699  -34.826 -17.676 1.000 31.604  0 449 TYR EEE CD2 1 ? 4  
ATOM   1895 C  CE1 . TYR B 2 120 ? -1.056  -36.421 -16.139 1.000 33.558  0 449 TYR EEE CE1 1 ? 4  
ATOM   1896 C  CE2 . TYR B 2 120 ? -3.232  -35.556 -16.632 1.000 32.952  0 449 TYR EEE CE2 1 ? 4  
ATOM   1897 C  CZ  . TYR B 2 120 ? -2.406  -36.350 -15.860 1.000 31.724  0 449 TYR EEE CZ  1 ? 4  
ATOM   1898 O  OH  . TYR B 2 120 ? -2.930  -37.071 -14.833 1.000 39.248  0 449 TYR EEE OH  1 ? 4  
ATOM   1899 N  N   . ASN B 2 121 ? 0.543   -30.776 -19.892 1.000 24.337  0 450 ASN EEE N   1 ? 4  
ATOM   1900 C  CA  . ASN B 2 121 ? 1.329   -30.054 -20.931 1.000 23.942  0 450 ASN EEE CA  1 ? 4  
ATOM   1901 C  C   . ASN B 2 121 ? 2.807   -29.955 -20.538 1.000 22.400  0 450 ASN EEE C   1 ? 4  
ATOM   1902 O  O   . ASN B 2 121 ? 3.672   -30.013 -21.442 1.000 23.976  0 450 ASN EEE O   1 ? 4  
ATOM   1903 C  CB  . ASN B 2 121 ? 0.805   -28.647 -21.217 1.000 28.000  0 450 ASN EEE CB  1 ? 4  
ATOM   1904 C  CG  . ASN B 2 121 ? -0.447  -28.603 -22.071 1.000 37.293  0 450 ASN EEE CG  1 ? 4  
ATOM   1905 O  OD1 . ASN B 2 121 ? -0.710  -29.489 -22.897 1.000 39.490  0 450 ASN EEE OD1 1 ? 4  
ATOM   1906 N  ND2 . ASN B 2 121 ? -1.201  -27.530 -21.915 1.000 42.981  0 450 ASN EEE ND2 1 ? 4  
ATOM   1907 N  N   . TYR B 2 122 ? 3.109   -29.732 -19.259 1.000 20.262  0 451 TYR EEE N   1 ? 4  
ATOM   1908 C  CA  . TYR B 2 122 ? 4.490   -29.499 -18.788 1.000 18.651  0 451 TYR EEE CA  1 ? 4  
ATOM   1909 C  C   . TYR B 2 122 ? 5.237   -30.824 -18.580 1.000 18.976  0 451 TYR EEE C   1 ? 4  
ATOM   1910 O  O   . TYR B 2 122 ? 4.738   -31.730 -17.883 1.000 20.806  0 451 TYR EEE O   1 ? 4  
ATOM   1911 C  CB  . TYR B 2 122 ? 4.481   -28.685 -17.501 1.000 19.266  0 451 TYR EEE CB  1 ? 4  
ATOM   1912 C  CG  . TYR B 2 122 ? 4.045   -27.257 -17.656 1.000 19.314  0 451 TYR EEE CG  1 ? 4  
ATOM   1913 C  CD1 . TYR B 2 122 ? 4.886   -26.326 -18.247 1.000 21.571  0 451 TYR EEE CD1 1 ? 4  
ATOM   1914 C  CD2 . TYR B 2 122 ? 2.802   -26.828 -17.209 1.000 22.077  0 451 TYR EEE CD2 1 ? 4  
ATOM   1915 C  CE1 . TYR B 2 122 ? 4.503   -25.005 -18.393 1.000 22.208  0 451 TYR EEE CE1 1 ? 4  
ATOM   1916 C  CE2 . TYR B 2 122 ? 2.399   -25.513 -17.361 1.000 21.498  0 451 TYR EEE CE2 1 ? 4  
ATOM   1917 C  CZ  . TYR B 2 122 ? 3.265   -24.594 -17.933 1.000 21.715  0 451 TYR EEE CZ  1 ? 4  
ATOM   1918 O  OH  . TYR B 2 122 ? 2.891   -23.297 -18.084 1.000 22.835  0 451 TYR EEE OH  1 ? 4  
ATOM   1919 N  N   . LEU B 2 123 ? 6.405   -30.929 -19.215 1.000 20.082  0 452 LEU EEE N   1 ? 4  
ATOM   1920 C  CA  . LEU B 2 123 ? 7.292   -32.115 -19.182 1.000 19.020  0 452 LEU EEE CA  1 ? 4  
ATOM   1921 C  C   . LEU B 2 123 ? 8.641   -31.742 -18.572 1.000 18.178  0 452 LEU EEE C   1 ? 4  
ATOM   1922 O  O   . LEU B 2 123 ? 9.051   -30.581 -18.631 1.000 19.946  0 452 LEU EEE O   1 ? 4  
ATOM   1923 C  CB  . LEU B 2 123 ? 7.516   -32.673 -20.594 1.000 19.392  0 452 LEU EEE CB  1 ? 4  
ATOM   1924 C  CG  . LEU B 2 123 ? 6.264   -32.860 -21.455 1.000 20.525  0 452 LEU EEE CG  1 ? 4  
ATOM   1925 C  CD1 . LEU B 2 123 ? 6.647   -33.478 -22.790 1.000 19.525  0 452 LEU EEE CD1 1 ? 4  
ATOM   1926 C  CD2 . LEU B 2 123 ? 5.216   -33.714 -20.755 1.000 19.121  0 452 LEU EEE CD2 1 ? 4  
ATOM   1927 N  N   . TYR B 2 124 ? 9.357   -32.755 -18.115 1.000 18.872  0 453 TYR EEE N   1 ? 4  
ATOM   1928 C  CA  . TYR B 2 124 ? 10.798  -32.654 -17.801 1.000 18.898  0 453 TYR EEE CA  1 ? 4  
ATOM   1929 C  C   . TYR B 2 124 ? 11.490  -33.935 -18.261 1.000 19.352  0 453 TYR EEE C   1 ? 4  
ATOM   1930 O  O   . TYR B 2 124 ? 10.834  -34.969 -18.430 1.000 19.390  0 453 TYR EEE O   1 ? 4  
ATOM   1931 C  CB  . TYR B 2 124 ? 11.040  -32.316 -16.325 1.000 18.963  0 453 TYR EEE CB  1 ? 4  
ATOM   1932 C  CG  . TYR B 2 124 ? 10.773  -33.431 -15.353 1.000 19.687  0 453 TYR EEE CG  1 ? 4  
ATOM   1933 C  CD1 . TYR B 2 124 ? 9.485   -33.840 -15.048 1.000 19.048  0 453 TYR EEE CD1 1 ? 4  
ATOM   1934 C  CD2 . TYR B 2 124 ? 11.818  -34.021 -14.670 1.000 24.802  0 453 TYR EEE CD2 1 ? 4  
ATOM   1935 C  CE1 . TYR B 2 124 ? 9.243   -34.816 -14.095 1.000 21.085  0 453 TYR EEE CE1 1 ? 4  
ATOM   1936 C  CE2 . TYR B 2 124 ? 11.590  -34.977 -13.694 1.000 27.842  0 453 TYR EEE CE2 1 ? 4  
ATOM   1937 C  CZ  . TYR B 2 124 ? 10.303  -35.399 -13.424 1.000 25.753  0 453 TYR EEE CZ  1 ? 4  
ATOM   1938 O  OH  . TYR B 2 124 ? 10.082  -36.332 -12.437 1.000 29.935  0 453 TYR EEE OH  1 ? 4  
ATOM   1939 N  N   . ARG B 2 125 ? 12.788  -33.824 -18.501 1.000 19.562  0 454 ARG EEE N   1 ? 4  
ATOM   1940 C  CA  . ARG B 2 125 ? 13.646  -34.955 -18.908 1.000 18.840  0 454 ARG EEE CA  1 ? 4  
ATOM   1941 C  C   . ARG B 2 125 ? 14.105  -35.684 -17.634 1.000 18.986  0 454 ARG EEE C   1 ? 4  
ATOM   1942 O  O   . ARG B 2 125 ? 14.757  -35.056 -16.782 1.000 19.724  0 454 ARG EEE O   1 ? 4  
ATOM   1943 C  CB  . ARG B 2 125 ? 14.821  -34.454 -19.745 1.000 19.256  0 454 ARG EEE CB  1 ? 4  
ATOM   1944 C  CG  . ARG B 2 125 ? 15.667  -35.581 -20.317 1.000 19.658  0 454 ARG EEE CG  1 ? 4  
ATOM   1945 C  CD  . ARG B 2 125 ? 16.760  -35.091 -21.265 1.000 19.367  0 454 ARG EEE CD  1 ? 4  
ATOM   1946 N  NE  . ARG B 2 125 ? 16.201  -34.320 -22.361 1.000 20.457  0 454 ARG EEE NE  1 ? 4  
ATOM   1947 C  CZ  . ARG B 2 125 ? 15.626  -34.831 -23.444 1.000 21.333  0 454 ARG EEE CZ  1 ? 4  
ATOM   1948 N  NH1 . ARG B 2 125 ? 15.614  -36.132 -23.675 1.000 19.928  0 454 ARG EEE NH1 1 ? 4  
ATOM   1949 N  NH2 . ARG B 2 125 ? 15.094  -34.004 -24.320 1.000 20.821  0 454 ARG EEE NH2 1 ? 4  
ATOM   1950 N  N   . LEU B 2 126 ? 13.796  -36.976 -17.547 1.000 20.433  0 455 LEU EEE N   1 ? 4  
ATOM   1951 C  CA  A LEU B 2 126 ? 14.096  -37.807 -16.356 0.500 21.451  0 455 LEU EEE CA  1 ? 4  
ATOM   1952 C  CA  B LEU B 2 126 ? 14.086  -37.850 -16.372 0.500 21.933  0 455 LEU EEE CA  1 ? 4  
ATOM   1953 C  C   . LEU B 2 126 ? 15.437  -38.546 -16.533 1.000 22.798  0 455 LEU EEE C   1 ? 4  
ATOM   1954 O  O   . LEU B 2 126 ? 16.030  -38.974 -15.515 1.000 23.677  0 455 LEU EEE O   1 ? 4  
ATOM   1955 C  CB  A LEU B 2 126 ? 12.880  -38.720 -16.196 0.500 22.908  0 455 LEU EEE CB  1 ? 4  
ATOM   1956 C  CB  B LEU B 2 126 ? 13.003  -38.922 -16.258 0.500 26.155  0 455 LEU EEE CB  1 ? 4  
ATOM   1957 C  CG  A LEU B 2 126 ? 12.881  -39.711 -15.051 0.500 22.767  0 455 LEU EEE CG  1 ? 4  
ATOM   1958 C  CG  B LEU B 2 126 ? 12.011  -38.787 -15.120 0.500 29.393  0 455 LEU EEE CG  1 ? 4  
ATOM   1959 C  CD1 A LEU B 2 126 ? 12.917  -38.977 -13.720 0.500 29.456  0 455 LEU EEE CD1 1 ? 4  
ATOM   1960 C  CD1 B LEU B 2 126 ? 11.073  -39.979 -15.149 0.500 26.636  0 455 LEU EEE CD1 1 ? 4  
ATOM   1961 C  CD2 A LEU B 2 126 ? 11.647  -40.579 -15.154 0.500 22.836  0 455 LEU EEE CD2 1 ? 4  
ATOM   1962 C  CD2 B LEU B 2 126 ? 12.739  -38.695 -13.787 0.500 36.947  0 455 LEU EEE CD2 1 ? 4  
ATOM   1963 N  N   . PHE B 2 127 ? 15.904  -38.710 -17.778 1.000 23.144  0 456 PHE EEE N   1 ? 4  
ATOM   1964 C  CA  . PHE B 2 127 ? 17.087  -39.532 -18.102 1.000 23.424  0 456 PHE EEE CA  1 ? 4  
ATOM   1965 C  C   . PHE B 2 127 ? 17.915  -38.856 -19.185 1.000 22.867  0 456 PHE EEE C   1 ? 4  
ATOM   1966 O  O   . PHE B 2 127 ? 17.323  -38.263 -20.104 1.000 23.461  0 456 PHE EEE O   1 ? 4  
ATOM   1967 C  CB  . PHE B 2 127 ? 16.678  -40.885 -18.682 1.000 27.188  0 456 PHE EEE CB  1 ? 4  
ATOM   1968 C  CG  . PHE B 2 127 ? 15.762  -41.698 -17.824 1.000 25.387  0 456 PHE EEE CG  1 ? 4  
ATOM   1969 C  CD1 . PHE B 2 127 ? 16.248  -42.343 -16.699 1.000 26.526  0 456 PHE EEE CD1 1 ? 4  
ATOM   1970 C  CD2 . PHE B 2 127 ? 14.424  -41.832 -18.142 1.000 24.923  0 456 PHE EEE CD2 1 ? 4  
ATOM   1971 C  CE1 . PHE B 2 127 ? 15.405  -43.112 -15.920 1.000 29.292  0 456 PHE EEE CE1 1 ? 4  
ATOM   1972 C  CE2 . PHE B 2 127 ? 13.584  -42.590 -17.345 1.000 25.414  0 456 PHE EEE CE2 1 ? 4  
ATOM   1973 C  CZ  . PHE B 2 127 ? 14.075  -43.222 -16.239 1.000 26.345  0 456 PHE EEE CZ  1 ? 4  
ATOM   1974 N  N   . ARG B 2 128 ? 19.228  -38.986 -19.090 1.000 24.687  0 457 ARG EEE N   1 ? 4  
ATOM   1975 C  CA  . ARG B 2 128 ? 20.175  -38.493 -20.115 1.000 24.497  0 457 ARG EEE CA  1 ? 4  
ATOM   1976 C  C   . ARG B 2 128 ? 21.523  -39.192 -19.940 1.000 27.064  0 457 ARG EEE C   1 ? 4  
ATOM   1977 O  O   . ARG B 2 128 ? 21.917  -39.502 -18.789 1.000 29.776  0 457 ARG EEE O   1 ? 4  
ATOM   1978 C  CB  . ARG B 2 128 ? 20.279  -36.973 -20.032 1.000 24.654  0 457 ARG EEE CB  1 ? 4  
ATOM   1979 C  CG  . ARG B 2 128 ? 20.837  -36.320 -21.278 1.000 24.570  0 457 ARG EEE CG  1 ? 4  
ATOM   1980 C  CD  . ARG B 2 128 ? 20.847  -34.815 -21.152 1.000 23.403  0 457 ARG EEE CD  1 ? 4  
ATOM   1981 N  NE  . ARG B 2 128 ? 21.193  -34.223 -22.439 1.000 24.459  0 457 ARG EEE NE  1 ? 4  
ATOM   1982 C  CZ  . ARG B 2 128 ? 22.415  -33.905 -22.857 1.000 25.652  0 457 ARG EEE CZ  1 ? 4  
ATOM   1983 N  NH1 . ARG B 2 128 ? 23.472  -34.060 -22.074 1.000 27.071  0 457 ARG EEE NH1 1 ? 4  
ATOM   1984 N  NH2 . ARG B 2 128 ? 22.577  -33.395 -24.074 1.000 28.966  0 457 ARG EEE NH2 1 ? 4  
ATOM   1985 N  N   . LYS B 2 129 ? 22.196  -39.446 -21.072 1.000 27.461  0 458 LYS EEE N   1 ? 5  
ATOM   1986 C  CA  . LYS B 2 129 ? 23.471  -40.203 -21.160 1.000 32.564  0 458 LYS EEE CA  1 ? 5  
ATOM   1987 C  C   . LYS B 2 129 ? 24.572  -39.442 -20.406 1.000 31.701  0 458 LYS EEE C   1 ? 5  
ATOM   1988 O  O   . LYS B 2 129 ? 25.487  -40.073 -19.889 1.000 35.958  0 458 LYS EEE O   1 ? 5  
ATOM   1989 C  CB  . LYS B 2 129 ? 23.783  -40.428 -22.648 1.000 41.412  0 458 LYS EEE CB  1 ? 5  
ATOM   1990 C  CG  . LYS B 2 129 ? 25.196  -40.877 -22.969 1.000 51.056  0 458 LYS EEE CG  1 ? 5  
ATOM   1991 C  CD  . LYS B 2 129 ? 25.334  -41.553 -24.324 1.000 62.814  0 458 LYS EEE CD  1 ? 5  
ATOM   1992 C  CE  . LYS B 2 129 ? 26.778  -41.885 -24.641 1.000 71.919  0 458 LYS EEE CE  1 ? 5  
ATOM   1993 N  NZ  . LYS B 2 129 ? 26.904  -42.859 -25.753 1.000 79.075  0 458 LYS EEE NZ  1 ? 5  
ATOM   1994 N  N   . SER B 2 130 ? 24.503  -38.115 -20.380 1.000 29.680  0 459 SER EEE N   1 ? 5  
ATOM   1995 C  CA  . SER B 2 130 ? 25.499  -37.239 -19.720 1.000 30.330  0 459 SER EEE CA  1 ? 5  
ATOM   1996 C  C   . SER B 2 130 ? 24.781  -35.995 -19.207 1.000 27.854  0 459 SER EEE C   1 ? 5  
ATOM   1997 O  O   . SER B 2 130 ? 23.637  -35.732 -19.648 1.000 26.635  0 459 SER EEE O   1 ? 5  
ATOM   1998 C  CB  . SER B 2 130 ? 26.620  -36.877 -20.670 1.000 33.352  0 459 SER EEE CB  1 ? 5  
ATOM   1999 O  OG  . SER B 2 130 ? 26.129  -36.002 -21.674 1.000 35.798  0 459 SER EEE OG  1 ? 5  
ATOM   2000 N  N   . ASN B 2 131 ? 25.446  -35.229 -18.342 1.000 28.217  0 460 ASN EEE N   1 ? 5  
ATOM   2001 C  CA  . ASN B 2 131 ? 24.856  -33.986 -17.808 1.000 27.362  0 460 ASN EEE CA  1 ? 5  
ATOM   2002 C  C   . ASN B 2 131 ? 24.888  -32.890 -18.874 1.000 25.412  0 460 ASN EEE C   1 ? 5  
ATOM   2003 O  O   . ASN B 2 131 ? 25.845  -32.860 -19.686 1.000 28.919  0 460 ASN EEE O   1 ? 5  
ATOM   2004 C  CB  . ASN B 2 131 ? 25.571  -33.526 -16.543 1.000 29.198  0 460 ASN EEE CB  1 ? 5  
ATOM   2005 C  CG  . ASN B 2 131 ? 25.387  -34.488 -15.391 1.000 32.790  0 460 ASN EEE CG  1 ? 5  
ATOM   2006 O  OD1 . ASN B 2 131 ? 24.487  -35.321 -15.406 1.000 32.632  0 460 ASN EEE OD1 1 ? 5  
ATOM   2007 N  ND2 . ASN B 2 131 ? 26.244  -34.364 -14.391 1.000 39.630  0 460 ASN EEE ND2 1 ? 5  
ATOM   2008 N  N   . LEU B 2 132 ? 23.901  -32.009 -18.842 1.000 25.374  0 461 LEU EEE N   1 ? 5  
ATOM   2009 C  CA  . LEU B 2 132 ? 23.888  -30.822 -19.729 1.000 25.393  0 461 LEU EEE CA  1 ? 5  
ATOM   2010 C  C   . LEU B 2 132 ? 25.078  -29.942 -19.396 1.000 27.231  0 461 LEU EEE C   1 ? 5  
ATOM   2011 O  O   . LEU B 2 132 ? 25.447  -29.827 -18.206 1.000 29.306  0 461 LEU EEE O   1 ? 5  
ATOM   2012 C  CB  . LEU B 2 132 ? 22.640  -29.970 -19.557 1.000 27.949  0 461 LEU EEE CB  1 ? 5  
ATOM   2013 C  CG  . LEU B 2 132 ? 21.330  -30.500 -20.100 1.000 25.646  0 461 LEU EEE CG  1 ? 5  
ATOM   2014 C  CD1 . LEU B 2 132 ? 20.276  -29.451 -19.805 1.000 25.007  0 461 LEU EEE CD1 1 ? 5  
ATOM   2015 C  CD2 . LEU B 2 132 ? 21.419  -30.830 -21.595 1.000 26.424  0 461 LEU EEE CD2 1 ? 5  
ATOM   2016 N  N   . LYS B 2 133 ? 25.604  -29.297 -20.426 1.000 28.070  0 462 LYS EEE N   1 ? 5  
ATOM   2017 C  CA  . LYS B 2 133 ? 26.509  -28.145 -20.277 1.000 29.066  0 462 LYS EEE CA  1 ? 5  
ATOM   2018 C  C   . LYS B 2 133 ? 25.665  -26.946 -19.881 1.000 28.223  0 462 LYS EEE C   1 ? 5  
ATOM   2019 O  O   . LYS B 2 133 ? 24.452  -26.926 -20.091 1.000 25.439  0 462 LYS EEE O   1 ? 5  
ATOM   2020 C  CB  . LYS B 2 133 ? 27.295  -27.892 -21.570 1.000 31.094  0 462 LYS EEE CB  1 ? 5  
ATOM   2021 C  CG  . LYS B 2 133 ? 28.099  -29.081 -22.071 1.000 40.107  0 462 LYS EEE CG  1 ? 5  
ATOM   2022 C  CD  . LYS B 2 133 ? 29.019  -29.662 -21.036 1.000 50.646  0 462 LYS EEE CD  1 ? 5  
ATOM   2023 C  CE  . LYS B 2 133 ? 29.622  -30.997 -21.432 1.000 67.908  0 462 LYS EEE CE  1 ? 5  
ATOM   2024 N  NZ  . LYS B 2 133 ? 30.751  -30.833 -22.376 1.000 84.877  0 462 LYS EEE NZ  1 ? 5  
ATOM   2025 N  N   . PRO B 2 134 ? 26.291  -25.906 -19.308 1.000 29.454  0 463 PRO EEE N   1 ? 5  
ATOM   2026 C  CA  . PRO B 2 134 ? 25.559  -24.690 -18.984 1.000 26.917  0 463 PRO EEE CA  1 ? 5  
ATOM   2027 C  C   . PRO B 2 134 ? 24.846  -24.090 -20.202 1.000 25.222  0 463 PRO EEE C   1 ? 5  
ATOM   2028 O  O   . PRO B 2 134 ? 25.439  -23.995 -21.287 1.000 26.137  0 463 PRO EEE O   1 ? 5  
ATOM   2029 C  CB  . PRO B 2 134 ? 26.631  -23.766 -18.397 1.000 28.754  0 463 PRO EEE CB  1 ? 5  
ATOM   2030 C  CG  . PRO B 2 134 ? 27.678  -24.718 -17.861 1.000 30.956  0 463 PRO EEE CG  1 ? 5  
ATOM   2031 C  CD  . PRO B 2 134 ? 27.684  -25.875 -18.843 1.000 30.544  0 463 PRO EEE CD  1 ? 5  
ATOM   2032 N  N   . PHE B 2 135 ? 23.573  -23.766 -20.006 1.000 22.901  0 464 PHE EEE N   1 ? 5  
ATOM   2033 C  CA  . PHE B 2 135 ? 22.685  -23.112 -20.996 1.000 23.831  0 464 PHE EEE CA  1 ? 5  
ATOM   2034 C  C   . PHE B 2 135 ? 22.473  -24.010 -22.222 1.000 23.757  0 464 PHE EEE C   1 ? 5  
ATOM   2035 O  O   . PHE B 2 135 ? 22.069  -23.474 -23.268 1.000 24.217  0 464 PHE EEE O   1 ? 5  
ATOM   2036 C  CB  . PHE B 2 135 ? 23.251  -21.741 -21.364 1.000 24.952  0 464 PHE EEE CB  1 ? 5  
ATOM   2037 C  CG  . PHE B 2 135 ? 23.359  -20.784 -20.210 1.000 25.112  0 464 PHE EEE CG  1 ? 5  
ATOM   2038 C  CD1 . PHE B 2 135 ? 22.228  -20.417 -19.496 1.000 24.784  0 464 PHE EEE CD1 1 ? 5  
ATOM   2039 C  CD2 . PHE B 2 135 ? 24.582  -20.260 -19.830 1.000 27.786  0 464 PHE EEE CD2 1 ? 5  
ATOM   2040 C  CE1 . PHE B 2 135 ? 22.318  -19.528 -18.432 1.000 25.886  0 464 PHE EEE CE1 1 ? 5  
ATOM   2041 C  CE2 . PHE B 2 135 ? 24.673  -19.362 -18.777 1.000 29.560  0 464 PHE EEE CE2 1 ? 5  
ATOM   2042 C  CZ  . PHE B 2 135 ? 23.538  -19.001 -18.080 1.000 28.208  0 464 PHE EEE CZ  1 ? 5  
ATOM   2043 N  N   . GLU B 2 136 ? 22.688  -25.322 -22.101 1.000 22.992  0 465 GLU EEE N   1 ? 5  
ATOM   2044 C  CA  . GLU B 2 136 ? 22.344  -26.289 -23.177 1.000 23.645  0 465 GLU EEE CA  1 ? 5  
ATOM   2045 C  C   . GLU B 2 136 ? 20.844  -26.576 -23.125 1.000 22.795  0 465 GLU EEE C   1 ? 5  
ATOM   2046 O  O   . GLU B 2 136 ? 20.216  -26.524 -22.046 1.000 21.684  0 465 GLU EEE O   1 ? 5  
ATOM   2047 C  CB  . GLU B 2 136 ? 23.211  -27.541 -23.057 1.000 27.266  0 465 GLU EEE CB  1 ? 5  
ATOM   2048 C  CG  . GLU B 2 136 ? 23.060  -28.508 -24.205 1.000 28.440  0 465 GLU EEE CG  1 ? 5  
ATOM   2049 C  CD  . GLU B 2 136 ? 23.973  -29.718 -24.152 1.000 32.326  0 465 GLU EEE CD  1 ? 5  
ATOM   2050 O  OE1 . GLU B 2 136 ? 24.722  -29.888 -23.122 1.000 29.500  0 465 GLU EEE OE1 1 ? 5  
ATOM   2051 O  OE2 . GLU B 2 136 ? 23.928  -30.492 -25.148 1.000 35.121  0 465 GLU EEE OE2 1 ? 5  
ATOM   2052 N  N   . ARG B 2 137 ? 20.242  -26.838 -24.278 1.000 22.073  0 466 ARG EEE N   1 ? 5  
ATOM   2053 C  CA  . ARG B 2 137 ? 18.802  -27.130 -24.397 1.000 21.392  0 466 ARG EEE CA  1 ? 5  
ATOM   2054 C  C   . ARG B 2 137 ? 18.661  -28.395 -25.232 1.000 21.167  0 466 ARG EEE C   1 ? 5  
ATOM   2055 O  O   . ARG B 2 137 ? 18.985  -28.354 -26.437 1.000 25.973  0 466 ARG EEE O   1 ? 5  
ATOM   2056 C  CB  . ARG B 2 137 ? 18.056  -25.943 -25.004 1.000 23.144  0 466 ARG EEE CB  1 ? 5  
ATOM   2057 C  CG  . ARG B 2 137 ? 16.557  -26.145 -25.122 1.000 21.687  0 466 ARG EEE CG  1 ? 5  
ATOM   2058 C  CD  . ARG B 2 137 ? 15.993  -24.853 -25.684 1.000 20.878  0 466 ARG EEE CD  1 ? 5  
ATOM   2059 N  NE  . ARG B 2 137 ? 14.570  -24.789 -25.905 1.000 21.619  0 466 ARG EEE NE  1 ? 5  
ATOM   2060 C  CZ  . ARG B 2 137 ? 13.937  -25.121 -27.038 1.000 22.025  0 466 ARG EEE CZ  1 ? 5  
ATOM   2061 N  NH1 . ARG B 2 137 ? 14.593  -25.651 -28.054 1.000 22.935  0 466 ARG EEE NH1 1 ? 5  
ATOM   2062 N  NH2 . ARG B 2 137 ? 12.639  -24.950 -27.134 1.000 23.359  0 466 ARG EEE NH2 1 ? 5  
ATOM   2063 N  N   . ASP B 2 138 ? 18.179  -29.467 -24.626 1.000 20.645  0 467 ASP EEE N   1 ? 5  
ATOM   2064 C  CA  . ASP B 2 138 ? 18.057  -30.800 -25.274 1.000 20.542  0 467 ASP EEE CA  1 ? 5  
ATOM   2065 C  C   . ASP B 2 138 ? 16.571  -31.078 -25.458 1.000 21.259  0 467 ASP EEE C   1 ? 5  
ATOM   2066 O  O   . ASP B 2 138 ? 15.871  -31.262 -24.444 1.000 19.451  0 467 ASP EEE O   1 ? 5  
ATOM   2067 C  CB  . ASP B 2 138 ? 18.756  -31.876 -24.427 1.000 21.026  0 467 ASP EEE CB  1 ? 5  
ATOM   2068 C  CG  . ASP B 2 138 ? 18.709  -33.270 -25.016 1.000 22.386  0 467 ASP EEE CG  1 ? 5  
ATOM   2069 O  OD1 . ASP B 2 138 ? 18.031  -33.453 -26.066 1.000 23.223  0 467 ASP EEE OD1 1 ? 5  
ATOM   2070 O  OD2 . ASP B 2 138 ? 19.373  -34.156 -24.433 1.000 23.682  0 467 ASP EEE OD2 1 ? 5  
ATOM   2071 N  N   . ILE B 2 139 ? 16.079  -31.125 -26.707 1.000 20.057  0 468 ILE EEE N   1 ? 5  
ATOM   2072 C  CA  A ILE B 2 139 ? 14.645  -31.407 -26.990 0.500 19.667  0 468 ILE EEE CA  1 ? 5  
ATOM   2073 C  CA  B ILE B 2 139 ? 14.645  -31.414 -26.985 0.500 19.479  0 468 ILE EEE CA  1 ? 5  
ATOM   2074 C  C   . ILE B 2 139 ? 14.525  -32.764 -27.702 1.000 19.701  0 468 ILE EEE C   1 ? 5  
ATOM   2075 O  O   . ILE B 2 139 ? 13.442  -33.051 -28.222 1.000 21.485  0 468 ILE EEE O   1 ? 5  
ATOM   2076 C  CB  A ILE B 2 139 ? 13.965  -30.234 -27.730 0.500 20.875  0 468 ILE EEE CB  1 ? 5  
ATOM   2077 C  CB  B ILE B 2 139 ? 13.974  -30.266 -27.759 0.500 20.850  0 468 ILE EEE CB  1 ? 5  
ATOM   2078 C  CG1 A ILE B 2 139 ? 14.736  -29.740 -28.961 0.500 23.011  0 468 ILE EEE CG1 1 ? 5  
ATOM   2079 C  CG1 B ILE B 2 139 ? 14.603  -30.055 -29.140 0.500 22.645  0 468 ILE EEE CG1 1 ? 5  
ATOM   2080 C  CG2 A ILE B 2 139 ? 13.707  -29.082 -26.772 0.500 21.097  0 468 ILE EEE CG2 1 ? 5  
ATOM   2081 C  CG2 B ILE B 2 139 ? 13.982  -28.983 -26.940 0.500 20.983  0 468 ILE EEE CG2 1 ? 5  
ATOM   2082 C  CD1 A ILE B 2 139 ? 14.586  -30.615 -30.174 0.500 26.675  0 468 ILE EEE CD1 1 ? 5  
ATOM   2083 C  CD1 B ILE B 2 139 ? 13.891  -29.037 -29.970 0.500 24.735  0 468 ILE EEE CD1 1 ? 5  
ATOM   2084 N  N   . SER B 2 140 ? 15.575  -33.592 -27.655 1.000 20.398  0 469 SER EEE N   1 ? 5  
ATOM   2085 C  CA  . SER B 2 140 ? 15.571  -34.933 -28.294 1.000 21.240  0 469 SER EEE CA  1 ? 5  
ATOM   2086 C  C   . SER B 2 140 ? 14.599  -35.880 -27.564 1.000 20.490  0 469 SER EEE C   1 ? 5  
ATOM   2087 O  O   . SER B 2 140 ? 14.276  -35.652 -26.370 1.000 20.976  0 469 SER EEE O   1 ? 5  
ATOM   2088 C  CB  . SER B 2 140 ? 16.959  -35.514 -28.383 1.000 23.977  0 469 SER EEE CB  1 ? 5  
ATOM   2089 O  OG  . SER B 2 140 ? 17.484  -35.845 -27.105 1.000 22.029  0 469 SER EEE OG  1 ? 5  
ATOM   2090 N  N   . THR B 2 141 ? 14.104  -36.889 -28.261 1.000 20.338  0 470 THR EEE N   1 ? 5  
ATOM   2091 C  CA  . THR B 2 141 ? 13.057  -37.815 -27.789 1.000 21.589  0 470 THR EEE CA  1 ? 5  
ATOM   2092 C  C   . THR B 2 141 ? 13.393  -39.242 -28.220 1.000 22.925  0 470 THR EEE C   1 ? 5  
ATOM   2093 O  O   . THR B 2 141 ? 12.474  -39.977 -28.614 1.000 25.139  0 470 THR EEE O   1 ? 5  
ATOM   2094 C  CB  . THR B 2 141 ? 11.683  -37.335 -28.259 1.000 24.054  0 470 THR EEE CB  1 ? 5  
ATOM   2095 O  OG1 . THR B 2 141 ? 11.726  -37.164 -29.681 1.000 25.396  0 470 THR EEE OG1 1 ? 5  
ATOM   2096 C  CG2 . THR B 2 141 ? 11.272  -36.046 -27.580 1.000 26.252  0 470 THR EEE CG2 1 ? 5  
ATOM   2097 N  N   . GLU B 2 142 ? 14.648  -39.645 -28.069 1.000 22.593  0 471 GLU EEE N   1 ? 5  
ATOM   2098 C  CA  . GLU B 2 142 ? 15.085  -41.023 -28.349 1.000 23.009  0 471 GLU EEE CA  1 ? 5  
ATOM   2099 C  C   . GLU B 2 142 ? 14.968  -41.847 -27.062 1.000 20.892  0 471 GLU EEE C   1 ? 5  
ATOM   2100 O  O   . GLU B 2 142 ? 15.126  -41.278 -25.956 1.000 22.680  0 471 GLU EEE O   1 ? 5  
ATOM   2101 C  CB  . GLU B 2 142 ? 16.471  -41.044 -28.990 1.000 28.106  0 471 GLU EEE CB  1 ? 5  
ATOM   2102 C  CG  . GLU B 2 142 ? 16.449  -40.644 -30.484 1.000 37.227  0 471 GLU EEE CG  1 ? 5  
ATOM   2103 C  CD  . GLU B 2 142 ? 15.494  -41.414 -31.406 1.000 49.025  0 471 GLU EEE CD  1 ? 5  
ATOM   2104 O  OE1 . GLU B 2 142 ? 15.784  -42.601 -31.744 1.000 44.253  0 471 GLU EEE OE1 1 ? 5  
ATOM   2105 O  OE2 . GLU B 2 142 ? 14.445  -40.827 -31.807 1.000 61.570  0 471 GLU EEE OE2 1 ? 5  
ATOM   2106 N  N   . ILE B 2 143 ? 14.712  -43.129 -27.207 1.000 20.654  0 472 ILE EEE N   1 ? 5  
ATOM   2107 C  CA  . ILE B 2 143 ? 14.698  -44.059 -26.049 1.000 21.316  0 472 ILE EEE CA  1 ? 5  
ATOM   2108 C  C   . ILE B 2 143 ? 16.022  -43.903 -25.311 1.000 22.371  0 472 ILE EEE C   1 ? 5  
ATOM   2109 O  O   . ILE B 2 143 ? 17.090  -43.905 -25.927 1.000 23.088  0 472 ILE EEE O   1 ? 5  
ATOM   2110 C  CB  . ILE B 2 143 ? 14.444  -45.516 -26.425 1.000 22.038  0 472 ILE EEE CB  1 ? 5  
ATOM   2111 C  CG1 . ILE B 2 143 ? 13.048  -45.700 -27.013 1.000 23.133  0 472 ILE EEE CG1 1 ? 5  
ATOM   2112 C  CG2 . ILE B 2 143 ? 14.678  -46.434 -25.222 1.000 22.823  0 472 ILE EEE CG2 1 ? 5  
ATOM   2113 C  CD1 . ILE B 2 143 ? 12.875  -47.053 -27.663 1.000 25.515  0 472 ILE EEE CD1 1 ? 5  
ATOM   2114 N  N   . TYR B 2 144 ? 15.937  -43.831 -23.974 1.000 22.465  0 473 TYR EEE N   1 ? 5  
ATOM   2115 C  CA  . TYR B 2 144 ? 17.138  -43.780 -23.118 1.000 22.233  0 473 TYR EEE CA  1 ? 5  
ATOM   2116 C  C   . TYR B 2 144 ? 17.586  -45.204 -22.774 1.000 22.944  0 473 TYR EEE C   1 ? 5  
ATOM   2117 O  O   . TYR B 2 144 ? 16.784  -45.991 -22.224 1.000 24.480  0 473 TYR EEE O   1 ? 5  
ATOM   2118 C  CB  . TYR B 2 144 ? 16.858  -42.982 -21.852 1.000 21.280  0 473 TYR EEE CB  1 ? 5  
ATOM   2119 C  CG  . TYR B 2 144 ? 18.016  -43.034 -20.887 1.000 23.081  0 473 TYR EEE CG  1 ? 5  
ATOM   2120 C  CD1 . TYR B 2 144 ? 19.179  -42.333 -21.135 1.000 24.135  0 473 TYR EEE CD1 1 ? 5  
ATOM   2121 C  CD2 . TYR B 2 144 ? 17.961  -43.813 -19.744 1.000 25.759  0 473 TYR EEE CD2 1 ? 5  
ATOM   2122 C  CE1 . TYR B 2 144 ? 20.240  -42.367 -20.251 1.000 28.623  0 473 TYR EEE CE1 1 ? 5  
ATOM   2123 C  CE2 . TYR B 2 144 ? 19.015  -43.858 -18.846 1.000 27.342  0 473 TYR EEE CE2 1 ? 5  
ATOM   2124 C  CZ  . TYR B 2 144 ? 20.162  -43.138 -19.107 1.000 27.639  0 473 TYR EEE CZ  1 ? 5  
ATOM   2125 O  OH  . TYR B 2 144 ? 21.235  -43.162 -18.278 1.000 32.917  0 473 TYR EEE OH  1 ? 5  
ATOM   2126 N  N   . GLN B 2 145 ? 18.806  -45.534 -23.199 1.000 22.078  0 474 GLN EEE N   1 ? 6  
ATOM   2127 C  CA  . GLN B 2 145 ? 19.473  -46.830 -22.940 1.000 22.200  0 474 GLN EEE CA  1 ? 6  
ATOM   2128 C  C   . GLN B 2 145 ? 20.168  -46.738 -21.582 1.000 23.418  0 474 GLN EEE C   1 ? 6  
ATOM   2129 O  O   . GLN B 2 145 ? 21.236  -46.147 -21.495 1.000 24.563  0 474 GLN EEE O   1 ? 6  
ATOM   2130 C  CB  . GLN B 2 145 ? 20.462  -47.156 -24.056 1.000 25.263  0 474 GLN EEE CB  1 ? 6  
ATOM   2131 C  CG  . GLN B 2 145 ? 21.024  -48.568 -23.972 1.000 26.964  0 474 GLN EEE CG  1 ? 6  
ATOM   2132 C  CD  . GLN B 2 145 ? 22.158  -48.787 -24.945 1.000 27.529  0 474 GLN EEE CD  1 ? 6  
ATOM   2133 O  OE1 . GLN B 2 145 ? 22.054  -48.463 -26.120 1.000 30.686  0 474 GLN EEE OE1 1 ? 6  
ATOM   2134 N  NE2 . GLN B 2 145 ? 23.266  -49.321 -24.456 1.000 31.533  0 474 GLN EEE NE2 1 ? 6  
ATOM   2135 N  N   . ALA B 2 146 ? 19.541  -47.284 -20.549 1.000 22.417  0 475 ALA EEE N   1 ? 6  
ATOM   2136 C  CA  . ALA B 2 146 ? 20.022  -47.134 -19.153 1.000 23.879  0 475 ALA EEE CA  1 ? 6  
ATOM   2137 C  C   . ALA B 2 146 ? 21.177  -48.100 -18.881 1.000 25.316  0 475 ALA EEE C   1 ? 6  
ATOM   2138 O  O   . ALA B 2 146 ? 21.969  -47.840 -17.956 1.000 29.085  0 475 ALA EEE O   1 ? 6  
ATOM   2139 C  CB  . ALA B 2 146 ? 18.879  -47.365 -18.195 1.000 24.821  0 475 ALA EEE CB  1 ? 6  
ATOM   2140 N  N   . GLY B 2 147 ? 21.269  -49.198 -19.625 1.000 27.584  0 476 GLY EEE N   1 ? 6  
ATOM   2141 C  CA  . GLY B 2 147 ? 22.314  -50.205 -19.398 1.000 31.759  0 476 GLY EEE CA  1 ? 6  
ATOM   2142 C  C   . GLY B 2 147 ? 23.138  -50.445 -20.642 1.000 29.795  0 476 GLY EEE C   1 ? 6  
ATOM   2143 O  O   . GLY B 2 147 ? 23.123  -49.595 -21.546 1.000 32.493  0 476 GLY EEE O   1 ? 6  
ATOM   2144 N  N   . SER B 2 148 ? 23.825  -51.577 -20.681 1.000 31.125  0 477 SER EEE N   1 ? 6  
ATOM   2145 C  CA  . SER B 2 148 ? 24.776  -51.933 -21.757 1.000 33.665  0 477 SER EEE CA  1 ? 6  
ATOM   2146 C  C   . SER B 2 148 ? 24.015  -52.505 -22.955 1.000 32.631  0 477 SER EEE C   1 ? 6  
ATOM   2147 O  O   . SER B 2 148 ? 24.609  -52.547 -24.042 1.000 35.597  0 477 SER EEE O   1 ? 6  
ATOM   2148 C  CB  . SER B 2 148 ? 25.813  -52.905 -21.248 1.000 36.251  0 477 SER EEE CB  1 ? 6  
ATOM   2149 O  OG  . SER B 2 148 ? 25.201  -54.138 -20.910 1.000 37.296  0 477 SER EEE OG  1 ? 6  
ATOM   2150 N  N   . THR B 2 149 ? 22.779  -52.969 -22.766 1.000 31.021  0 478 THR EEE N   1 ? 6  
ATOM   2151 C  CA  . THR B 2 149 ? 21.995  -53.651 -23.830 1.000 30.892  0 478 THR EEE CA  1 ? 6  
ATOM   2152 C  C   . THR B 2 149 ? 21.295  -52.614 -24.705 1.000 29.374  0 478 THR EEE C   1 ? 6  
ATOM   2153 O  O   . THR B 2 149 ? 20.507  -51.811 -24.222 1.000 26.331  0 478 THR EEE O   1 ? 6  
ATOM   2154 C  CB  . THR B 2 149 ? 20.994  -54.647 -23.246 1.000 32.619  0 478 THR EEE CB  1 ? 6  
ATOM   2155 O  OG1 . THR B 2 149 ? 21.764  -55.524 -22.428 1.000 37.352  0 478 THR EEE OG1 1 ? 6  
ATOM   2156 C  CG2 . THR B 2 149 ? 20.263  -55.439 -24.304 1.000 37.533  0 478 THR EEE CG2 1 ? 6  
ATOM   2157 N  N   . PRO B 2 150 ? 21.536  -52.623 -26.034 1.000 31.337  0 479 PRO EEE N   1 ? 6  
ATOM   2158 C  CA  . PRO B 2 150 ? 20.785  -51.760 -26.948 1.000 29.657  0 479 PRO EEE CA  1 ? 6  
ATOM   2159 C  C   . PRO B 2 150 ? 19.266  -51.998 -26.877 1.000 26.726  0 479 PRO EEE C   1 ? 6  
ATOM   2160 O  O   . PRO B 2 150 ? 18.833  -53.116 -26.762 1.000 28.179  0 479 PRO EEE O   1 ? 6  
ATOM   2161 C  CB  . PRO B 2 150 ? 21.323  -52.146 -28.338 1.000 34.154  0 479 PRO EEE CB  1 ? 6  
ATOM   2162 C  CG  . PRO B 2 150 ? 22.640  -52.826 -28.086 1.000 38.074  0 479 PRO EEE CG  1 ? 6  
ATOM   2163 C  CD  . PRO B 2 150 ? 22.520  -53.470 -26.725 1.000 34.882  0 479 PRO EEE CD  1 ? 6  
ATOM   2164 N  N   . CYS B 2 151 ? 18.483  -50.935 -26.981 1.000 26.017  0 480 CYS EEE N   1 ? 6  
ATOM   2165 C  CA  . CYS B 2 151 ? 17.001  -50.973 -26.916 1.000 25.692  0 480 CYS EEE CA  1 ? 6  
ATOM   2166 C  C   . CYS B 2 151 ? 16.389  -51.342 -28.285 1.000 25.889  0 480 CYS EEE C   1 ? 6  
ATOM   2167 O  O   . CYS B 2 151 ? 15.283  -51.918 -28.301 1.000 24.184  0 480 CYS EEE O   1 ? 6  
ATOM   2168 C  CB  . CYS B 2 151 ? 16.486  -49.639 -26.394 1.000 25.477  0 480 CYS EEE CB  1 ? 6  
ATOM   2169 S  SG  . CYS B 2 151 ? 17.178  -49.208 -24.772 1.000 27.124  0 480 CYS EEE SG  1 ? 6  
ATOM   2170 N  N   . ASN B 2 152 ? 17.083  -51.048 -29.390 1.000 26.573  0 481 ASN EEE N   1 ? 6  
ATOM   2171 C  CA  . ASN B 2 152 ? 16.613  -51.385 -30.772 1.000 28.972  0 481 ASN EEE CA  1 ? 6  
ATOM   2172 C  C   . ASN B 2 152 ? 15.145  -50.966 -30.953 1.000 25.743  0 481 ASN EEE C   1 ? 6  
ATOM   2173 O  O   . ASN B 2 152 ? 14.332  -51.764 -31.471 1.000 26.434  0 481 ASN EEE O   1 ? 6  
ATOM   2174 C  CB  . ASN B 2 152 ? 16.810  -52.873 -31.040 1.000 32.962  0 481 ASN EEE CB  1 ? 6  
ATOM   2175 C  CG  . ASN B 2 152 ? 18.279  -53.230 -31.072 1.000 35.876  0 481 ASN EEE CG  1 ? 6  
ATOM   2176 O  OD1 . ASN B 2 152 ? 19.095  -52.474 -31.602 1.000 39.416  0 481 ASN EEE OD1 1 ? 6  
ATOM   2177 N  ND2 . ASN B 2 152 ? 18.631  -54.344 -30.463 1.000 42.128  0 481 ASN EEE ND2 1 ? 6  
ATOM   2178 N  N   . GLY B 2 153 ? 14.811  -49.765 -30.486 1.000 24.491  0 482 GLY EEE N   1 ? 6  
ATOM   2179 C  CA  . GLY B 2 153 ? 13.513  -49.117 -30.707 1.000 23.393  0 482 GLY EEE CA  1 ? 6  
ATOM   2180 C  C   . GLY B 2 153 ? 12.410  -49.673 -29.846 1.000 21.939  0 482 GLY EEE C   1 ? 6  
ATOM   2181 O  O   . GLY B 2 153 ? 11.255  -49.351 -30.139 1.000 21.247  0 482 GLY EEE O   1 ? 6  
ATOM   2182 N  N   . VAL B 2 154 ? 12.735  -50.414 -28.775 1.000 20.497  0 483 VAL EEE N   1 ? 6  
ATOM   2183 C  CA  . VAL B 2 154 ? 11.675  -51.015 -27.930 1.000 20.982  0 483 VAL EEE CA  1 ? 6  
ATOM   2184 C  C   . VAL B 2 154 ? 11.923  -50.615 -26.469 1.000 21.391  0 483 VAL EEE C   1 ? 6  
ATOM   2185 O  O   . VAL B 2 154 ? 13.036  -50.867 -25.926 1.000 22.627  0 483 VAL EEE O   1 ? 6  
ATOM   2186 C  CB  . VAL B 2 154 ? 11.578  -52.537 -28.098 1.000 23.213  0 483 VAL EEE CB  1 ? 6  
ATOM   2187 C  CG1 . VAL B 2 154 ? 10.499  -53.104 -27.196 1.000 21.879  0 483 VAL EEE CG1 1 ? 6  
ATOM   2188 C  CG2 . VAL B 2 154 ? 11.305  -52.952 -29.545 1.000 24.042  0 483 VAL EEE CG2 1 ? 6  
ATOM   2189 N  N   . GLU B 2 155 ? 10.911  -50.021 -25.848 1.000 21.477  0 484 GLU EEE N   1 ? 6  
ATOM   2190 C  CA  . GLU B 2 155 ? 10.985  -49.698 -24.403 1.000 20.542  0 484 GLU EEE CA  1 ? 6  
ATOM   2191 C  C   . GLU B 2 155 ? 10.778  -50.984 -23.590 1.000 21.022  0 484 GLU EEE C   1 ? 6  
ATOM   2192 O  O   . GLU B 2 155 ? 10.057  -51.903 -24.011 1.000 21.776  0 484 GLU EEE O   1 ? 6  
ATOM   2193 C  CB  . GLU B 2 155 ? 9.977   -48.627 -24.006 1.000 19.631  0 484 GLU EEE CB  1 ? 6  
ATOM   2194 C  CG  . GLU B 2 155 ? 10.272  -47.269 -24.615 1.000 20.149  0 484 GLU EEE CG  1 ? 6  
ATOM   2195 C  CD  . GLU B 2 155 ? 9.222   -46.210 -24.379 1.000 20.738  0 484 GLU EEE CD  1 ? 6  
ATOM   2196 O  OE1 . GLU B 2 155 ? 8.568   -46.228 -23.303 1.000 21.340  0 484 GLU EEE OE1 1 ? 6  
ATOM   2197 O  OE2 . GLU B 2 155 ? 9.028   -45.365 -25.271 1.000 19.620  0 484 GLU EEE OE2 1 ? 6  
ATOM   2198 N  N   . GLY B 2 156 ? 11.467  -51.061 -22.470 1.000 20.566  0 485 GLY EEE N   1 ? 6  
ATOM   2199 C  CA  . GLY B 2 156 ? 11.342  -52.198 -21.545 1.000 19.807  0 485 GLY EEE CA  1 ? 6  
ATOM   2200 C  C   . GLY B 2 156 ? 12.368  -52.067 -20.442 1.000 21.108  0 485 GLY EEE C   1 ? 6  
ATOM   2201 O  O   . GLY B 2 156 ? 12.736  -50.920 -20.101 1.000 21.011  0 485 GLY EEE O   1 ? 6  
ATOM   2202 N  N   . PHE B 2 157 ? 12.891  -53.179 -19.952 1.000 23.263  0 486 PHE EEE N   1 ? 6  
ATOM   2203 C  CA  . PHE B 2 157 ? 13.921  -53.111 -18.885 1.000 25.505  0 486 PHE EEE CA  1 ? 6  
ATOM   2204 C  C   . PHE B 2 157 ? 15.091  -52.263 -19.378 1.000 24.366  0 486 PHE EEE C   1 ? 6  
ATOM   2205 O  O   . PHE B 2 157 ? 15.649  -52.568 -20.447 1.000 25.503  0 486 PHE EEE O   1 ? 6  
ATOM   2206 C  CB  . PHE B 2 157 ? 14.435  -54.472 -18.433 1.000 30.735  0 486 PHE EEE CB  1 ? 6  
ATOM   2207 C  CG  . PHE B 2 157 ? 15.366  -54.367 -17.242 1.000 31.003  0 486 PHE EEE CG  1 ? 6  
ATOM   2208 C  CD1 . PHE B 2 157 ? 14.913  -53.897 -16.008 1.000 32.776  0 486 PHE EEE CD1 1 ? 6  
ATOM   2209 C  CD2 . PHE B 2 157 ? 16.709  -54.673 -17.360 1.000 36.014  0 486 PHE EEE CD2 1 ? 6  
ATOM   2210 C  CE1 . PHE B 2 157 ? 15.772  -53.772 -14.919 1.000 32.847  0 486 PHE EEE CE1 1 ? 6  
ATOM   2211 C  CE2 . PHE B 2 157 ? 17.563  -54.581 -16.270 1.000 34.624  0 486 PHE EEE CE2 1 ? 6  
ATOM   2212 C  CZ  . PHE B 2 157 ? 17.098  -54.124 -15.047 1.000 36.325  0 486 PHE EEE CZ  1 ? 6  
ATOM   2213 N  N   . ASN B 2 158 ? 15.441  -51.232 -18.604 1.000 23.411  0 487 ASN EEE N   1 ? 6  
ATOM   2214 C  CA  . ASN B 2 158 ? 16.595  -50.344 -18.860 1.000 23.926  0 487 ASN EEE CA  1 ? 6  
ATOM   2215 C  C   . ASN B 2 158 ? 16.458  -49.640 -20.215 1.000 22.024  0 487 ASN EEE C   1 ? 6  
ATOM   2216 O  O   . ASN B 2 158 ? 17.482  -49.217 -20.739 1.000 23.238  0 487 ASN EEE O   1 ? 6  
ATOM   2217 C  CB  . ASN B 2 158 ? 17.901  -51.118 -18.752 1.000 25.956  0 487 ASN EEE CB  1 ? 6  
ATOM   2218 C  CG  . ASN B 2 158 ? 18.432  -51.097 -17.331 1.000 31.763  0 487 ASN EEE CG  1 ? 6  
ATOM   2219 O  OD1 . ASN B 2 158 ? 17.951  -50.333 -16.489 1.000 32.227  0 487 ASN EEE OD1 1 ? 6  
ATOM   2220 N  ND2 . ASN B 2 158 ? 19.456  -51.879 -17.073 1.000 37.547  0 487 ASN EEE ND2 1 ? 6  
ATOM   2221 N  N   . CYS B 2 159 ? 15.239  -49.470 -20.715 1.000 20.397  0 488 CYS EEE N   1 ? 6  
ATOM   2222 C  CA  . CYS B 2 159 ? 14.974  -48.776 -22.004 1.000 21.498  0 488 CYS EEE CA  1 ? 6  
ATOM   2223 C  C   . CYS B 2 159 ? 13.727  -47.923 -21.785 1.000 20.416  0 488 CYS EEE C   1 ? 6  
ATOM   2224 O  O   . CYS B 2 159 ? 12.610  -48.462 -21.867 1.000 20.329  0 488 CYS EEE O   1 ? 6  
ATOM   2225 C  CB  . CYS B 2 159 ? 14.780  -49.824 -23.096 1.000 21.816  0 488 CYS EEE CB  1 ? 6  
ATOM   2226 S  SG  . CYS B 2 159 ? 16.317  -50.658 -23.560 1.000 24.293  0 488 CYS EEE SG  1 ? 6  
ATOM   2227 N  N   . TYR B 2 160 ? 13.912  -46.655 -21.462 1.000 19.396  0 489 TYR EEE N   1 ? 6  
ATOM   2228 C  CA  A TYR B 2 160 ? 12.813  -45.768 -21.009 0.500 19.844  0 489 TYR EEE CA  1 ? 6  
ATOM   2229 C  CA  B TYR B 2 160 ? 12.810  -45.771 -21.016 0.500 19.509  0 489 TYR EEE CA  1 ? 6  
ATOM   2230 C  C   . TYR B 2 160 ? 12.637  -44.592 -21.974 1.000 18.798  0 489 TYR EEE C   1 ? 6  
ATOM   2231 O  O   . TYR B 2 160 ? 13.626  -44.160 -22.602 1.000 21.858  0 489 TYR EEE O   1 ? 6  
ATOM   2232 C  CB  A TYR B 2 160 ? 13.094  -45.240 -19.599 0.500 19.268  0 489 TYR EEE CB  1 ? 6  
ATOM   2233 C  CB  B TYR B 2 160 ? 13.086  -45.313 -19.584 0.500 18.188  0 489 TYR EEE CB  1 ? 6  
ATOM   2234 C  CG  A TYR B 2 160 ? 13.545  -46.298 -18.627 0.500 20.348  0 489 TYR EEE CG  1 ? 6  
ATOM   2235 C  CG  B TYR B 2 160 ? 13.224  -46.487 -18.654 0.500 17.811  0 489 TYR EEE CG  1 ? 6  
ATOM   2236 C  CD1 A TYR B 2 160 ? 12.768  -47.417 -18.386 0.500 22.062  0 489 TYR EEE CD1 1 ? 6  
ATOM   2237 C  CD1 B TYR B 2 160 ? 12.138  -47.297 -18.373 0.500 18.057  0 489 TYR EEE CD1 1 ? 6  
ATOM   2238 C  CD2 A TYR B 2 160 ? 14.747  -46.187 -17.945 0.500 21.153  0 489 TYR EEE CD2 1 ? 6  
ATOM   2239 C  CD2 B TYR B 2 160 ? 14.447  -46.831 -18.107 0.500 19.198  0 489 TYR EEE CD2 1 ? 6  
ATOM   2240 C  CE1 A TYR B 2 160 ? 13.168  -48.399 -17.496 0.500 25.124  0 489 TYR EEE CE1 1 ? 6  
ATOM   2241 C  CE1 B TYR B 2 160 ? 12.253  -48.407 -17.549 0.500 19.085  0 489 TYR EEE CE1 1 ? 6  
ATOM   2242 C  CE2 A TYR B 2 160 ? 15.172  -47.173 -17.069 0.500 24.123  0 489 TYR EEE CE2 1 ? 6  
ATOM   2243 C  CE2 B TYR B 2 160 ? 14.582  -47.942 -17.292 0.500 20.425  0 489 TYR EEE CE2 1 ? 6  
ATOM   2244 C  CZ  A TYR B 2 160 ? 14.385  -48.289 -16.852 0.500 24.981  0 489 TYR EEE CZ  1 ? 6  
ATOM   2245 C  CZ  B TYR B 2 160 ? 13.487  -48.739 -17.020 0.500 19.899  0 489 TYR EEE CZ  1 ? 6  
ATOM   2246 O  OH  A TYR B 2 160 ? 14.779  -49.273 -15.984 0.500 32.106  0 489 TYR EEE OH  1 ? 6  
ATOM   2247 O  OH  B TYR B 2 160 ? 13.629  -49.831 -16.204 0.500 20.991  0 489 TYR EEE OH  1 ? 6  
ATOM   2248 N  N   . PHE B 2 161 ? 11.422  -44.078 -22.053 1.000 18.146  0 490 PHE EEE N   1 ? 6  
ATOM   2249 C  CA  . PHE B 2 161 ? 11.173  -42.803 -22.768 1.000 18.251  0 490 PHE EEE CA  1 ? 6  
ATOM   2250 C  C   . PHE B 2 161 ? 11.717  -41.681 -21.881 1.000 19.377  0 490 PHE EEE C   1 ? 6  
ATOM   2251 O  O   . PHE B 2 161 ? 11.657  -41.795 -20.653 1.000 21.106  0 490 PHE EEE O   1 ? 6  
ATOM   2252 C  CB  . PHE B 2 161 ? 9.702   -42.638 -23.100 1.000 18.146  0 490 PHE EEE CB  1 ? 6  
ATOM   2253 C  CG  . PHE B 2 161 ? 9.476   -41.567 -24.122 1.000 19.440  0 490 PHE EEE CG  1 ? 6  
ATOM   2254 C  CD1 . PHE B 2 161 ? 9.808   -41.807 -25.449 1.000 19.500  0 490 PHE EEE CD1 1 ? 6  
ATOM   2255 C  CD2 . PHE B 2 161 ? 9.009   -40.318 -23.760 1.000 18.751  0 490 PHE EEE CD2 1 ? 6  
ATOM   2256 C  CE1 . PHE B 2 161 ? 9.628   -40.815 -26.400 1.000 19.183  0 490 PHE EEE CE1 1 ? 6  
ATOM   2257 C  CE2 . PHE B 2 161 ? 8.811   -39.341 -24.715 1.000 20.275  0 490 PHE EEE CE2 1 ? 6  
ATOM   2258 C  CZ  . PHE B 2 161 ? 9.130   -39.592 -26.042 1.000 20.606  0 490 PHE EEE CZ  1 ? 6  
ATOM   2259 N  N   . PRO B 2 162 ? 12.437  -40.681 -22.429 1.000 18.565  0 491 PRO EEE N   1 ? 6  
ATOM   2260 C  CA  . PRO B 2 162 ? 13.225  -39.796 -21.566 1.000 19.008  0 491 PRO EEE CA  1 ? 6  
ATOM   2261 C  C   . PRO B 2 162 ? 12.444  -38.646 -20.931 1.000 18.641  0 491 PRO EEE C   1 ? 6  
ATOM   2262 O  O   . PRO B 2 162 ? 12.997  -38.011 -20.042 1.000 21.267  0 491 PRO EEE O   1 ? 6  
ATOM   2263 C  CB  . PRO B 2 162 ? 14.293  -39.247 -22.527 1.000 19.810  0 491 PRO EEE CB  1 ? 6  
ATOM   2264 C  CG  . PRO B 2 162 ? 13.574  -39.239 -23.874 1.000 20.388  0 491 PRO EEE CG  1 ? 6  
ATOM   2265 C  CD  . PRO B 2 162 ? 12.761  -40.510 -23.863 1.000 20.111  0 491 PRO EEE CD  1 ? 6  
ATOM   2266 N  N   . LEU B 2 163 ? 11.234  -38.370 -21.406 1.000 17.787  0 492 LEU EEE N   1 ? 6  
ATOM   2267 C  CA  . LEU B 2 163 ? 10.408  -37.251 -20.887 1.000 19.002  0 492 LEU EEE CA  1 ? 6  
ATOM   2268 C  C   . LEU B 2 163 ? 9.273   -37.790 -20.009 1.000 18.331  0 492 LEU EEE C   1 ? 6  
ATOM   2269 O  O   . LEU B 2 163 ? 8.798   -38.897 -20.224 1.000 18.139  0 492 LEU EEE O   1 ? 6  
ATOM   2270 C  CB  . LEU B 2 163 ? 9.842   -36.408 -22.034 1.000 19.445  0 492 LEU EEE CB  1 ? 6  
ATOM   2271 C  CG  . LEU B 2 163 ? 10.859  -35.797 -22.995 1.000 19.768  0 492 LEU EEE CG  1 ? 6  
ATOM   2272 C  CD1 . LEU B 2 163 ? 10.148  -34.959 -24.058 1.000 23.049  0 492 LEU EEE CD1 1 ? 6  
ATOM   2273 C  CD2 . LEU B 2 163 ? 11.894  -34.954 -22.298 1.000 21.462  0 492 LEU EEE CD2 1 ? 6  
ATOM   2274 N  N   . GLN B 2 164 ? 8.824   -36.944 -19.082 1.000 18.837  0 493 GLN EEE N   1 ? 6  
ATOM   2275 C  CA  . GLN B 2 164 ? 7.795   -37.271 -18.080 1.000 19.378  0 493 GLN EEE CA  1 ? 6  
ATOM   2276 C  C   . GLN B 2 164 ? 6.953   -36.032 -17.834 1.000 17.972  0 493 GLN EEE C   1 ? 6  
ATOM   2277 O  O   . GLN B 2 164 ? 7.543   -34.948 -17.649 1.000 19.412  0 493 GLN EEE O   1 ? 6  
ATOM   2278 C  CB  . GLN B 2 164 ? 8.485   -37.697 -16.790 1.000 19.583  0 493 GLN EEE CB  1 ? 6  
ATOM   2279 C  CG  . GLN B 2 164 ? 7.528   -37.932 -15.622 1.000 19.444  0 493 GLN EEE CG  1 ? 6  
ATOM   2280 C  CD  . GLN B 2 164 ? 6.580   -39.086 -15.848 1.000 19.062  0 493 GLN EEE CD  1 ? 6  
ATOM   2281 O  OE1 . GLN B 2 164 ? 6.984   -40.178 -16.258 1.000 20.218  0 493 GLN EEE OE1 1 ? 6  
ATOM   2282 N  NE2 . GLN B 2 164 ? 5.304   -38.873 -15.551 1.000 20.938  0 493 GLN EEE NE2 1 ? 6  
ATOM   2283 N  N   . SER B 2 165 ? 5.635   -36.208 -17.802 1.000 20.539  0 494 SER EEE N   1 ? 6  
ATOM   2284 C  CA  . SER B 2 165 ? 4.664   -35.137 -17.458 1.000 20.633  0 494 SER EEE CA  1 ? 6  
ATOM   2285 C  C   . SER B 2 165 ? 4.619   -34.967 -15.933 1.000 22.309  0 494 SER EEE C   1 ? 6  
ATOM   2286 O  O   . SER B 2 165 ? 4.670   -35.976 -15.198 1.000 21.932  0 494 SER EEE O   1 ? 6  
ATOM   2287 C  CB  . SER B 2 165 ? 3.291   -35.386 -18.003 1.000 23.813  0 494 SER EEE CB  1 ? 6  
ATOM   2288 O  OG  . SER B 2 165 ? 2.815   -36.661 -17.614 1.000 27.091  0 494 SER EEE OG  1 ? 6  
ATOM   2289 N  N   . TYR B 2 166 ? 4.479   -33.733 -15.494 1.000 20.287  0 495 TYR EEE N   1 ? 6  
ATOM   2290 C  CA  . TYR B 2 166 ? 4.217   -33.401 -14.066 1.000 21.247  0 495 TYR EEE CA  1 ? 6  
ATOM   2291 C  C   . TYR B 2 166 ? 2.762   -33.697 -13.712 1.000 20.856  0 495 TYR EEE C   1 ? 6  
ATOM   2292 O  O   . TYR B 2 166 ? 2.493   -34.203 -12.600 1.000 22.852  0 495 TYR EEE O   1 ? 6  
ATOM   2293 C  CB  . TYR B 2 166 ? 4.534   -31.942 -13.805 1.000 20.647  0 495 TYR EEE CB  1 ? 6  
ATOM   2294 C  CG  . TYR B 2 166 ? 5.987   -31.577 -13.795 1.000 20.478  0 495 TYR EEE CG  1 ? 6  
ATOM   2295 C  CD1 . TYR B 2 166 ? 6.774   -31.816 -12.684 1.000 20.800  0 495 TYR EEE CD1 1 ? 6  
ATOM   2296 C  CD2 . TYR B 2 166 ? 6.570   -30.927 -14.871 1.000 19.020  0 495 TYR EEE CD2 1 ? 6  
ATOM   2297 C  CE1 . TYR B 2 166 ? 8.093   -31.422 -12.637 1.000 20.373  0 495 TYR EEE CE1 1 ? 6  
ATOM   2298 C  CE2 . TYR B 2 166 ? 7.887   -30.518 -14.838 1.000 20.435  0 495 TYR EEE CE2 1 ? 6  
ATOM   2299 C  CZ  . TYR B 2 166 ? 8.664   -30.774 -13.723 1.000 19.755  0 495 TYR EEE CZ  1 ? 6  
ATOM   2300 O  OH  . TYR B 2 166 ? 9.958   -30.349 -13.686 1.000 21.091  0 495 TYR EEE OH  1 ? 6  
ATOM   2301 N  N   . GLY B 2 167 ? 1.825   -33.400 -14.618 1.000 20.393  0 496 GLY EEE N   1 ? 6  
ATOM   2302 C  CA  . GLY B 2 167 ? 0.391   -33.643 -14.378 1.000 22.746  0 496 GLY EEE CA  1 ? 6  
ATOM   2303 C  C   . GLY B 2 167 ? -0.184  -32.752 -13.284 1.000 21.614  0 496 GLY EEE C   1 ? 6  
ATOM   2304 O  O   . GLY B 2 167 ? -1.076  -33.218 -12.540 1.000 25.577  0 496 GLY EEE O   1 ? 6  
ATOM   2305 N  N   . PHE B 2 168 ? 0.265   -31.503 -13.201 1.000 21.764  0 497 PHE EEE N   1 ? 6  
ATOM   2306 C  CA  . PHE B 2 168 ? -0.069  -30.580 -12.078 1.000 22.286  0 497 PHE EEE CA  1 ? 6  
ATOM   2307 C  C   . PHE B 2 168 ? -1.580  -30.538 -11.807 1.000 23.910  0 497 PHE EEE C   1 ? 6  
ATOM   2308 O  O   . PHE B 2 168 ? -2.386  -30.165 -12.710 1.000 23.957  0 497 PHE EEE O   1 ? 6  
ATOM   2309 C  CB  . PHE B 2 168 ? 0.427   -29.167 -12.390 1.000 22.716  0 497 PHE EEE CB  1 ? 6  
ATOM   2310 C  CG  . PHE B 2 168 ? 1.920   -29.021 -12.489 1.000 21.941  0 497 PHE EEE CG  1 ? 6  
ATOM   2311 C  CD1 . PHE B 2 168 ? 2.728   -29.247 -11.380 1.000 21.427  0 497 PHE EEE CD1 1 ? 6  
ATOM   2312 C  CD2 . PHE B 2 168 ? 2.530   -28.612 -13.672 1.000 20.927  0 497 PHE EEE CD2 1 ? 6  
ATOM   2313 C  CE1 . PHE B 2 168 ? 4.099   -29.091 -11.450 1.000 21.611  0 497 PHE EEE CE1 1 ? 6  
ATOM   2314 C  CE2 . PHE B 2 168 ? 3.901   -28.465 -13.739 1.000 21.356  0 497 PHE EEE CE2 1 ? 6  
ATOM   2315 C  CZ  . PHE B 2 168 ? 4.693   -28.710 -12.628 1.000 21.503  0 497 PHE EEE CZ  1 ? 6  
ATOM   2316 N  N   . GLN B 2 169 ? -1.968  -30.806 -10.553 1.000 25.521  0 498 GLN EEE N   1 ? 6  
ATOM   2317 C  CA  . GLN B 2 169 ? -3.353  -30.648 -10.034 1.000 25.331  0 498 GLN EEE CA  1 ? 6  
ATOM   2318 C  C   . GLN B 2 169 ? -3.308  -29.666 -8.869  1.000 26.702  0 498 GLN EEE C   1 ? 6  
ATOM   2319 O  O   . GLN B 2 169 ? -2.310  -29.609 -8.136  1.000 28.011  0 498 GLN EEE O   1 ? 6  
ATOM   2320 C  CB  . GLN B 2 169 ? -3.928  -31.977 -9.544  1.000 27.613  0 498 GLN EEE CB  1 ? 6  
ATOM   2321 C  CG  . GLN B 2 169 ? -4.065  -33.028 -10.631 1.000 28.844  0 498 GLN EEE CG  1 ? 6  
ATOM   2322 C  CD  . GLN B 2 169 ? -4.676  -34.305 -10.107 1.000 29.188  0 498 GLN EEE CD  1 ? 6  
ATOM   2323 O  OE1 . GLN B 2 169 ? -5.606  -34.296 -9.303  1.000 35.689  0 498 GLN EEE OE1 1 ? 6  
ATOM   2324 N  NE2 . GLN B 2 169 ? -4.135  -35.424 -10.531 1.000 34.552  0 498 GLN EEE NE2 1 ? 6  
ATOM   2325 N  N   . PRO B 2 170 ? -4.355  -28.830 -8.697  1.000 27.314  0 499 PRO EEE N   1 ? 6  
ATOM   2326 C  CA  . PRO B 2 170 ? -4.305  -27.758 -7.702  1.000 28.980  0 499 PRO EEE CA  1 ? 6  
ATOM   2327 C  C   . PRO B 2 170 ? -4.216  -28.266 -6.255  1.000 29.154  0 499 PRO EEE C   1 ? 6  
ATOM   2328 O  O   . PRO B 2 170 ? -3.758  -27.492 -5.401  1.000 33.469  0 499 PRO EEE O   1 ? 6  
ATOM   2329 C  CB  . PRO B 2 170 ? -5.584  -26.948 -7.972  1.000 31.296  0 499 PRO EEE CB  1 ? 6  
ATOM   2330 C  CG  . PRO B 2 170 ? -6.504  -27.913 -8.658  1.000 32.532  0 499 PRO EEE CG  1 ? 6  
ATOM   2331 C  CD  . PRO B 2 170 ? -5.596  -28.805 -9.485  1.000 30.151  0 499 PRO EEE CD  1 ? 6  
ATOM   2332 N  N   . THR B 2 171 ? -4.605  -29.520 -6.022  1.000 27.942  0 500 THR EEE N   1 ? 6  
ATOM   2333 C  CA  . THR B 2 171 ? -4.612  -30.160 -4.676  1.000 31.987  0 500 THR EEE CA  1 ? 6  
ATOM   2334 C  C   . THR B 2 171 ? -3.265  -30.828 -4.373  1.000 27.980  0 500 THR EEE C   1 ? 6  
ATOM   2335 O  O   . THR B 2 171 ? -3.116  -31.380 -3.270  1.000 33.705  0 500 THR EEE O   1 ? 6  
ATOM   2336 C  CB  . THR B 2 171 ? -5.755  -31.170 -4.547  1.000 34.650  0 500 THR EEE CB  1 ? 6  
ATOM   2337 O  OG1 . THR B 2 171 ? -5.650  -32.025 -5.680  1.000 33.986  0 500 THR EEE OG1 1 ? 6  
ATOM   2338 C  CG2 . THR B 2 171 ? -7.119  -30.522 -4.475  1.000 37.687  0 500 THR EEE CG2 1 ? 6  
ATOM   2339 N  N   . TYR B 2 172 ? -2.288  -30.763 -5.260  1.000 27.005  0 501 TYR EEE N   1 ? 6  
ATOM   2340 C  CA  . TYR B 2 172 ? -0.918  -31.245 -4.972  1.000 26.662  0 501 TYR EEE CA  1 ? 6  
ATOM   2341 C  C   . TYR B 2 172 ? -0.351  -30.450 -3.789  1.000 27.673  0 501 TYR EEE C   1 ? 6  
ATOM   2342 O  O   . TYR B 2 172 ? -0.715  -29.264 -3.596  1.000 27.923  0 501 TYR EEE O   1 ? 6  
ATOM   2343 C  CB  . TYR B 2 172 ? 0.005   -31.095 -6.184  1.000 24.679  0 501 TYR EEE CB  1 ? 6  
ATOM   2344 C  CG  . TYR B 2 172 ? -0.175  -32.118 -7.290  1.000 28.079  0 501 TYR EEE CG  1 ? 6  
ATOM   2345 C  CD1 . TYR B 2 172 ? -1.094  -33.153 -7.174  1.000 28.720  0 501 TYR EEE CD1 1 ? 6  
ATOM   2346 C  CD2 . TYR B 2 172 ? 0.640   -32.106 -8.413  1.000 28.815  0 501 TYR EEE CD2 1 ? 6  
ATOM   2347 C  CE1 . TYR B 2 172 ? -1.249  -34.109 -8.164  1.000 32.117  0 501 TYR EEE CE1 1 ? 6  
ATOM   2348 C  CE2 . TYR B 2 172 ? 0.510   -33.070 -9.411  1.000 32.556  0 501 TYR EEE CE2 1 ? 6  
ATOM   2349 C  CZ  . TYR B 2 172 ? -0.438  -34.077 -9.278  1.000 31.083  0 501 TYR EEE CZ  1 ? 6  
ATOM   2350 O  OH  . TYR B 2 172 ? -0.593  -35.061 -10.205 1.000 39.217  0 501 TYR EEE OH  1 ? 6  
ATOM   2351 N  N   . GLY B 2 173 ? 0.518   -31.098 -3.012  1.000 28.963  0 502 GLY EEE N   1 ? 6  
ATOM   2352 C  CA  . GLY B 2 173 ? 1.342   -30.415 -2.003  1.000 30.763  0 502 GLY EEE CA  1 ? 6  
ATOM   2353 C  C   . GLY B 2 173 ? 2.255   -29.392 -2.652  1.000 28.320  0 502 GLY EEE C   1 ? 6  
ATOM   2354 O  O   . GLY B 2 173 ? 2.558   -29.521 -3.871  1.000 26.791  0 502 GLY EEE O   1 ? 6  
ATOM   2355 N  N   . VAL B 2 174 ? 2.741   -28.423 -1.880  1.000 28.046  0 503 VAL EEE N   1 ? 6  
ATOM   2356 C  CA  . VAL B 2 174 ? 3.503   -27.281 -2.456  1.000 27.870  0 503 VAL EEE CA  1 ? 6  
ATOM   2357 C  C   . VAL B 2 174 ? 4.782   -27.790 -3.149  1.000 26.182  0 503 VAL EEE C   1 ? 6  
ATOM   2358 O  O   . VAL B 2 174 ? 5.191   -27.164 -4.147  1.000 25.938  0 503 VAL EEE O   1 ? 6  
ATOM   2359 C  CB  . VAL B 2 174 ? 3.791   -26.197 -1.409  1.000 29.306  0 503 VAL EEE CB  1 ? 6  
ATOM   2360 C  CG1 . VAL B 2 174 ? 4.739   -26.683 -0.319  1.000 34.032  0 503 VAL EEE CG1 1 ? 6  
ATOM   2361 C  CG2 . VAL B 2 174 ? 4.306   -24.936 -2.066  1.000 31.511  0 503 VAL EEE CG2 1 ? 6  
ATOM   2362 N  N   . GLY B 2 175 ? 5.396   -28.874 -2.669  1.000 26.351  0 504 GLY EEE N   1 ? 6  
ATOM   2363 C  CA  . GLY B 2 175 ? 6.615   -29.438 -3.280  1.000 26.466  0 504 GLY EEE CA  1 ? 6  
ATOM   2364 C  C   . GLY B 2 175 ? 6.334   -29.932 -4.688  1.000 24.539  0 504 GLY EEE C   1 ? 6  
ATOM   2365 O  O   . GLY B 2 175 ? 7.289   -30.056 -5.480  1.000 24.628  0 504 GLY EEE O   1 ? 6  
ATOM   2366 N  N   . TYR B 2 176 ? 5.071   -30.236 -4.979  1.000 23.865  0 505 TYR EEE N   1 ? 6  
ATOM   2367 C  CA  . TYR B 2 176 ? 4.631   -30.806 -6.277  1.000 23.217  0 505 TYR EEE CA  1 ? 6  
ATOM   2368 C  C   . TYR B 2 176 ? 3.826   -29.787 -7.090  1.000 24.570  0 505 TYR EEE C   1 ? 6  
ATOM   2369 O  O   . TYR B 2 176 ? 3.438   -30.130 -8.218  1.000 25.525  0 505 TYR EEE O   1 ? 6  
ATOM   2370 C  CB  . TYR B 2 176 ? 3.883   -32.113 -6.036  1.000 25.046  0 505 TYR EEE CB  1 ? 6  
ATOM   2371 C  CG  . TYR B 2 176 ? 4.814   -33.221 -5.635  1.000 25.132  0 505 TYR EEE CG  1 ? 6  
ATOM   2372 C  CD1 . TYR B 2 176 ? 5.476   -33.961 -6.598  1.000 23.476  0 505 TYR EEE CD1 1 ? 6  
ATOM   2373 C  CD2 . TYR B 2 176 ? 5.086   -33.496 -4.302  1.000 27.659  0 505 TYR EEE CD2 1 ? 6  
ATOM   2374 C  CE1 . TYR B 2 176 ? 6.362   -34.965 -6.260  1.000 26.036  0 505 TYR EEE CE1 1 ? 6  
ATOM   2375 C  CE2 . TYR B 2 176 ? 5.966   -34.508 -3.945  1.000 28.559  0 505 TYR EEE CE2 1 ? 6  
ATOM   2376 C  CZ  . TYR B 2 176 ? 6.615   -35.236 -4.928  1.000 27.124  0 505 TYR EEE CZ  1 ? 6  
ATOM   2377 O  OH  . TYR B 2 176 ? 7.495   -36.232 -4.609  1.000 30.360  0 505 TYR EEE OH  1 ? 6  
ATOM   2378 N  N   . GLN B 2 177 ? 3.609   -28.585 -6.569  1.000 23.755  0 506 GLN EEE N   1 ? 6  
ATOM   2379 C  CA  . GLN B 2 177 ? 2.899   -27.510 -7.305  1.000 22.631  0 506 GLN EEE CA  1 ? 6  
ATOM   2380 C  C   . GLN B 2 177 ? 3.844   -26.904 -8.325  1.000 22.678  0 506 GLN EEE C   1 ? 6  
ATOM   2381 O  O   . GLN B 2 177 ? 5.065   -26.932 -8.154  1.000 22.142  0 506 GLN EEE O   1 ? 6  
ATOM   2382 C  CB  . GLN B 2 177 ? 2.356   -26.422 -6.393  1.000 23.402  0 506 GLN EEE CB  1 ? 6  
ATOM   2383 C  CG  . GLN B 2 177 ? 1.155   -26.905 -5.617  1.000 26.406  0 506 GLN EEE CG  1 ? 6  
ATOM   2384 C  CD  . GLN B 2 177 ? 0.673   -25.925 -4.588  1.000 25.992  0 506 GLN EEE CD  1 ? 6  
ATOM   2385 O  OE1 . GLN B 2 177 ? 0.901   -24.725 -4.690  1.000 27.478  0 506 GLN EEE OE1 1 ? 6  
ATOM   2386 N  NE2 . GLN B 2 177 ? -0.015  -26.453 -3.589  1.000 29.524  0 506 GLN EEE NE2 1 ? 6  
ATOM   2387 N  N   . PRO B 2 178 ? 3.286   -26.326 -9.413  1.000 22.283  0 507 PRO EEE N   1 ? 6  
ATOM   2388 C  CA  . PRO B 2 178 ? 4.118   -25.690 -10.426 1.000 22.259  0 507 PRO EEE CA  1 ? 6  
ATOM   2389 C  C   . PRO B 2 178 ? 4.674   -24.359 -9.912  1.000 22.023  0 507 PRO EEE C   1 ? 6  
ATOM   2390 O  O   . PRO B 2 178 ? 3.967   -23.633 -9.213  1.000 22.143  0 507 PRO EEE O   1 ? 6  
ATOM   2391 C  CB  . PRO B 2 178 ? 3.152   -25.483 -11.602 1.000 23.380  0 507 PRO EEE CB  1 ? 6  
ATOM   2392 C  CG  . PRO B 2 178 ? 1.806   -25.362 -10.949 1.000 23.076  0 507 PRO EEE CG  1 ? 6  
ATOM   2393 C  CD  . PRO B 2 178 ? 1.864   -26.325 -9.774  1.000 23.299  0 507 PRO EEE CD  1 ? 6  
ATOM   2394 N  N   . TYR B 2 179 ? 5.934   -24.097 -10.252 1.000 21.264  0 508 TYR EEE N   1 ? 6  
ATOM   2395 C  CA  . TYR B 2 179 ? 6.626   -22.804 -10.049 1.000 22.845  0 508 TYR EEE CA  1 ? 6  
ATOM   2396 C  C   . TYR B 2 179 ? 7.107   -22.317 -11.411 1.000 21.802  0 508 TYR EEE C   1 ? 6  
ATOM   2397 O  O   . TYR B 2 179 ? 7.712   -23.114 -12.184 1.000 22.562  0 508 TYR EEE O   1 ? 6  
ATOM   2398 C  CB  . TYR B 2 179 ? 7.767   -22.926 -9.029  1.000 22.336  0 508 TYR EEE CB  1 ? 6  
ATOM   2399 C  CG  . TYR B 2 179 ? 7.269   -22.818 -7.613  1.000 23.791  0 508 TYR EEE CG  1 ? 6  
ATOM   2400 C  CD1 . TYR B 2 179 ? 6.474   -23.816 -7.089  1.000 24.502  0 508 TYR EEE CD1 1 ? 6  
ATOM   2401 C  CD2 . TYR B 2 179 ? 7.573   -21.727 -6.806  1.000 25.335  0 508 TYR EEE CD2 1 ? 6  
ATOM   2402 C  CE1 . TYR B 2 179 ? 5.946   -23.721 -5.814  1.000 24.352  0 508 TYR EEE CE1 1 ? 6  
ATOM   2403 C  CE2 . TYR B 2 179 ? 7.089   -21.636 -5.509  1.000 26.031  0 508 TYR EEE CE2 1 ? 6  
ATOM   2404 C  CZ  . TYR B 2 179 ? 6.264   -22.633 -5.020  1.000 25.397  0 508 TYR EEE CZ  1 ? 6  
ATOM   2405 O  OH  . TYR B 2 179 ? 5.735   -22.559 -3.762  1.000 28.750  0 508 TYR EEE OH  1 ? 6  
ATOM   2406 N  N   . ARG B 2 180 ? 6.763   -21.067 -11.717 1.000 22.911  0 509 ARG EEE N   1 ? 6  
ATOM   2407 C  CA  . ARG B 2 180 ? 7.367   -20.308 -12.831 1.000 21.076  0 509 ARG EEE CA  1 ? 6  
ATOM   2408 C  C   . ARG B 2 180 ? 8.741   -19.798 -12.417 1.000 21.679  0 509 ARG EEE C   1 ? 6  
ATOM   2409 O  O   . ARG B 2 180 ? 8.901   -19.294 -11.276 1.000 23.884  0 509 ARG EEE O   1 ? 6  
ATOM   2410 C  CB  . ARG B 2 180 ? 6.398   -19.235 -13.312 1.000 22.951  0 509 ARG EEE CB  1 ? 6  
ATOM   2411 C  CG  . ARG B 2 180 ? 5.270   -19.836 -14.134 1.000 22.938  0 509 ARG EEE CG  1 ? 6  
ATOM   2412 C  CD  . ARG B 2 180 ? 4.178   -18.857 -14.497 1.000 24.255  0 509 ARG EEE CD  1 ? 6  
ATOM   2413 N  NE  . ARG B 2 180 ? 3.187   -19.558 -15.293 1.000 24.830  0 509 ARG EEE NE  1 ? 6  
ATOM   2414 C  CZ  . ARG B 2 180 ? 2.402   -19.003 -16.211 1.000 24.930  0 509 ARG EEE CZ  1 ? 6  
ATOM   2415 N  NH1 . ARG B 2 180 ? 2.455   -17.705 -16.440 1.000 27.921  0 509 ARG EEE NH1 1 ? 6  
ATOM   2416 N  NH2 . ARG B 2 180 ? 1.578   -19.767 -16.914 1.000 24.779  0 509 ARG EEE NH2 1 ? 6  
ATOM   2417 N  N   . VAL B 2 181 ? 9.694   -19.893 -13.351 1.000 21.592  0 510 VAL EEE N   1 ? 6  
ATOM   2418 C  CA  . VAL B 2 181 ? 11.108  -19.522 -13.128 1.000 20.832  0 510 VAL EEE CA  1 ? 6  
ATOM   2419 C  C   . VAL B 2 181 ? 11.540  -18.602 -14.262 1.000 21.145  0 510 VAL EEE C   1 ? 6  
ATOM   2420 O  O   . VAL B 2 181 ? 11.250  -18.929 -15.418 1.000 22.052  0 510 VAL EEE O   1 ? 6  
ATOM   2421 C  CB  . VAL B 2 181 ? 12.020  -20.751 -13.023 1.000 22.228  0 510 VAL EEE CB  1 ? 6  
ATOM   2422 C  CG1 . VAL B 2 181 ? 13.460  -20.357 -12.774 1.000 22.838  0 510 VAL EEE CG1 1 ? 6  
ATOM   2423 C  CG2 . VAL B 2 181 ? 11.536  -21.734 -11.978 1.000 23.554  0 510 VAL EEE CG2 1 ? 6  
ATOM   2424 N  N   . VAL B 2 182 ? 12.227  -17.527 -13.915 1.000 20.320  0 511 VAL EEE N   1 ? 6  
ATOM   2425 C  CA  . VAL B 2 182 ? 12.952  -16.648 -14.865 1.000 21.606  0 511 VAL EEE CA  1 ? 6  
ATOM   2426 C  C   . VAL B 2 182 ? 14.395  -16.558 -14.408 1.000 22.576  0 511 VAL EEE C   1 ? 6  
ATOM   2427 O  O   . VAL B 2 182 ? 14.639  -16.232 -13.216 1.000 24.121  0 511 VAL EEE O   1 ? 6  
ATOM   2428 C  CB  . VAL B 2 182 ? 12.295  -15.266 -15.015 1.000 23.057  0 511 VAL EEE CB  1 ? 6  
ATOM   2429 C  CG1 . VAL B 2 182 ? 13.087  -14.364 -15.953 1.000 24.973  0 511 VAL EEE CG1 1 ? 6  
ATOM   2430 C  CG2 . VAL B 2 182 ? 10.858  -15.415 -15.480 1.000 24.281  0 511 VAL EEE CG2 1 ? 6  
ATOM   2431 N  N   . VAL B 2 183 ? 15.313  -16.846 -15.322 1.000 22.246  0 512 VAL EEE N   1 ? 6  
ATOM   2432 C  CA  . VAL B 2 183 ? 16.761  -16.693 -15.073 1.000 22.710  0 512 VAL EEE CA  1 ? 6  
ATOM   2433 C  C   . VAL B 2 183 ? 17.251  -15.540 -15.941 1.000 23.933  0 512 VAL EEE C   1 ? 6  
ATOM   2434 O  O   . VAL B 2 183 ? 17.064  -15.603 -17.156 1.000 24.486  0 512 VAL EEE O   1 ? 6  
ATOM   2435 C  CB  . VAL B 2 183 ? 17.536  -17.986 -15.332 1.000 23.271  0 512 VAL EEE CB  1 ? 6  
ATOM   2436 C  CG1 . VAL B 2 183 ? 19.017  -17.784 -15.055 1.000 24.805  0 512 VAL EEE CG1 1 ? 6  
ATOM   2437 C  CG2 . VAL B 2 183 ? 16.966  -19.159 -14.535 1.000 22.495  0 512 VAL EEE CG2 1 ? 6  
ATOM   2438 N  N   . LEU B 2 184 ? 17.839  -14.521 -15.318 1.000 22.749  0 513 LEU EEE N   1 ? 6  
ATOM   2439 C  CA  . LEU B 2 184 ? 18.449  -13.372 -16.024 1.000 22.936  0 513 LEU EEE CA  1 ? 6  
ATOM   2440 C  C   . LEU B 2 184 ? 19.946  -13.615 -16.155 1.000 25.198  0 513 LEU EEE C   1 ? 6  
ATOM   2441 O  O   . LEU B 2 184 ? 20.609  -13.824 -15.131 1.000 25.592  0 513 LEU EEE O   1 ? 6  
ATOM   2442 C  CB  . LEU B 2 184 ? 18.186  -12.069 -15.271 1.000 24.294  0 513 LEU EEE CB  1 ? 6  
ATOM   2443 C  CG  . LEU B 2 184 ? 16.716  -11.738 -15.021 1.000 24.968  0 513 LEU EEE CG  1 ? 6  
ATOM   2444 C  CD1 . LEU B 2 184 ? 16.605  -10.423 -14.285 1.000 27.063  0 513 LEU EEE CD1 1 ? 6  
ATOM   2445 C  CD2 . LEU B 2 184 ? 15.926  -11.685 -16.327 1.000 25.134  0 513 LEU EEE CD2 1 ? 6  
ATOM   2446 N  N   . SER B 2 185 ? 20.466  -13.524 -17.379 1.000 25.034  0 514 SER EEE N   1 ? 6  
ATOM   2447 C  CA  . SER B 2 185 ? 21.913  -13.572 -17.656 1.000 25.142  0 514 SER EEE CA  1 ? 6  
ATOM   2448 C  C   . SER B 2 185 ? 22.289  -12.368 -18.522 1.000 26.175  0 514 SER EEE C   1 ? 6  
ATOM   2449 O  O   . SER B 2 185 ? 21.380  -11.681 -19.055 1.000 26.672  0 514 SER EEE O   1 ? 6  
ATOM   2450 C  CB  . SER B 2 185 ? 22.330  -14.893 -18.244 1.000 26.180  0 514 SER EEE CB  1 ? 6  
ATOM   2451 O  OG  . SER B 2 185 ? 21.654  -15.115 -19.457 1.000 27.397  0 514 SER EEE OG  1 ? 6  
ATOM   2452 N  N   . PHE B 2 186 ? 23.578  -12.078 -18.577 1.000 26.847  0 515 PHE EEE N   1 ? 6  
ATOM   2453 C  CA  . PHE B 2 186 ? 24.118  -10.772 -19.036 1.000 28.586  0 515 PHE EEE CA  1 ? 6  
ATOM   2454 C  C   . PHE B 2 186 ? 25.227  -11.033 -20.044 1.000 32.776  0 515 PHE EEE C   1 ? 6  
ATOM   2455 O  O   . PHE B 2 186 ? 26.049  -11.956 -19.895 1.000 35.716  0 515 PHE EEE O   1 ? 6  
ATOM   2456 C  CB  . PHE B 2 186 ? 24.543  -9.940  -17.817 1.000 30.308  0 515 PHE EEE CB  1 ? 6  
ATOM   2457 C  CG  . PHE B 2 186 ? 23.387  -9.687  -16.884 1.000 28.277  0 515 PHE EEE CG  1 ? 6  
ATOM   2458 C  CD1 . PHE B 2 186 ? 22.542  -8.609  -17.074 1.000 30.022  0 515 PHE EEE CD1 1 ? 6  
ATOM   2459 C  CD2 . PHE B 2 186 ? 23.097  -10.575 -15.869 1.000 29.282  0 515 PHE EEE CD2 1 ? 6  
ATOM   2460 C  CE1 . PHE B 2 186 ? 21.440  -8.413  -16.262 1.000 28.952  0 515 PHE EEE CE1 1 ? 6  
ATOM   2461 C  CE2 . PHE B 2 186 ? 22.002  -10.368 -15.043 1.000 30.484  0 515 PHE EEE CE2 1 ? 6  
ATOM   2462 C  CZ  . PHE B 2 186 ? 21.168  -9.297  -15.248 1.000 28.104  0 515 PHE EEE CZ  1 ? 6  
ATOM   2463 N  N   . GLU B 2 187 ? 25.198  -10.235 -21.107 1.000 36.065  0 516 GLU EEE N   1 ? 7  
ATOM   2464 C  CA  . GLU B 2 187 ? 26.193  -10.353 -22.191 1.000 34.905  0 516 GLU EEE CA  1 ? 7  
ATOM   2465 C  C   . GLU B 2 187 ? 26.790  -8.978  -22.499 1.000 34.504  0 516 GLU EEE C   1 ? 7  
ATOM   2466 O  O   . GLU B 2 187 ? 26.042  -8.021  -22.660 1.000 34.208  0 516 GLU EEE O   1 ? 7  
ATOM   2467 C  CB  . GLU B 2 187 ? 25.529  -10.960 -23.425 1.000 34.732  0 516 GLU EEE CB  1 ? 7  
ATOM   2468 C  CG  . GLU B 2 187 ? 26.490  -11.162 -24.573 1.000 34.103  0 516 GLU EEE CG  1 ? 7  
ATOM   2469 C  CD  . GLU B 2 187 ? 25.830  -11.913 -25.717 1.000 36.402  0 516 GLU EEE CD  1 ? 7  
ATOM   2470 O  OE1 . GLU B 2 187 ? 24.959  -11.323 -26.304 1.000 37.488  0 516 GLU EEE OE1 1 ? 7  
ATOM   2471 O  OE2 . GLU B 2 187 ? 26.118  -13.082 -25.904 1.000 39.145  0 516 GLU EEE OE2 1 ? 7  
ATOM   2472 N  N   . LEU B 2 188 ? 28.109  -8.941  -22.577 1.000 34.909  0 517 LEU EEE N   1 ? 7  
ATOM   2473 C  CA  A LEU B 2 188 ? 28.887  -7.740  -22.952 0.500 34.948  0 517 LEU EEE CA  1 ? 7  
ATOM   2474 C  CA  B LEU B 2 188 ? 28.896  -7.743  -22.950 0.500 35.020  0 517 LEU EEE CA  1 ? 7  
ATOM   2475 C  C   . LEU B 2 188 ? 29.643  -8.076  -24.238 1.000 33.956  0 517 LEU EEE C   1 ? 7  
ATOM   2476 O  O   . LEU B 2 188 ? 30.457  -9.028  -24.217 1.000 36.848  0 517 LEU EEE O   1 ? 7  
ATOM   2477 C  CB  A LEU B 2 188 ? 29.832  -7.375  -21.802 0.500 39.014  0 517 LEU EEE CB  1 ? 7  
ATOM   2478 C  CB  B LEU B 2 188 ? 29.877  -7.382  -21.830 0.500 38.765  0 517 LEU EEE CB  1 ? 7  
ATOM   2479 C  CG  A LEU B 2 188 ? 30.152  -5.889  -21.648 0.500 41.371  0 517 LEU EEE CG  1 ? 7  
ATOM   2480 C  CG  B LEU B 2 188 ? 29.374  -6.374  -20.799 0.500 40.580  0 517 LEU EEE CG  1 ? 7  
ATOM   2481 C  CD1 A LEU B 2 188 ? 28.886  -5.042  -21.635 0.500 42.012  0 517 LEU EEE CD1 1 ? 7  
ATOM   2482 C  CD1 B LEU B 2 188 ? 30.408  -6.177  -19.703 0.500 45.656  0 517 LEU EEE CD1 1 ? 7  
ATOM   2483 C  CD2 A LEU B 2 188 ? 30.960  -5.653  -20.384 0.500 45.796  0 517 LEU EEE CD2 1 ? 7  
ATOM   2484 C  CD2 B LEU B 2 188 ? 29.039  -5.035  -21.450 0.500 41.082  0 517 LEU EEE CD2 1 ? 7  
ATOM   2485 N  N   . LEU B 2 189 ? 29.312  -7.369  -25.312 1.000 31.832  0 518 LEU EEE N   1 ? 7  
ATOM   2486 C  CA  . LEU B 2 189 ? 30.046  -7.506  -26.590 1.000 31.396  0 518 LEU EEE CA  1 ? 7  
ATOM   2487 C  C   . LEU B 2 189 ? 30.735  -6.184  -26.911 1.000 32.457  0 518 LEU EEE C   1 ? 7  
ATOM   2488 O  O   . LEU B 2 189 ? 30.373  -5.160  -26.352 1.000 34.243  0 518 LEU EEE O   1 ? 7  
ATOM   2489 C  CB  . LEU B 2 189 ? 29.066  -7.844  -27.716 1.000 30.565  0 518 LEU EEE CB  1 ? 7  
ATOM   2490 C  CG  . LEU B 2 189 ? 28.180  -9.068  -27.527 1.000 30.549  0 518 LEU EEE CG  1 ? 7  
ATOM   2491 C  CD1 . LEU B 2 189 ? 27.163  -9.173  -28.665 1.000 30.929  0 518 LEU EEE CD1 1 ? 7  
ATOM   2492 C  CD2 . LEU B 2 189 ? 29.015  -10.330 -27.434 1.000 31.085  0 518 LEU EEE CD2 1 ? 7  
ATOM   2493 N  N   . HIS B 2 190 ? 31.620  -6.227  -27.913 1.000 32.456  0 519 HIS EEE N   1 ? 7  
ATOM   2494 C  CA  . HIS B 2 190 ? 32.230  -5.007  -28.487 1.000 34.932  0 519 HIS EEE CA  1 ? 7  
ATOM   2495 C  C   . HIS B 2 190 ? 31.183  -4.377  -29.411 1.000 35.168  0 519 HIS EEE C   1 ? 7  
ATOM   2496 O  O   . HIS B 2 190 ? 31.303  -4.585  -30.629 1.000 36.024  0 519 HIS EEE O   1 ? 7  
ATOM   2497 C  CB  . HIS B 2 190 ? 33.504  -5.379  -29.272 1.000 35.269  0 519 HIS EEE CB  1 ? 7  
ATOM   2498 C  CG  . HIS B 2 190 ? 34.299  -4.192  -29.691 1.000 40.740  0 519 HIS EEE CG  1 ? 7  
ATOM   2499 N  ND1 . HIS B 2 190 ? 33.934  -3.399  -30.760 1.000 40.546  0 519 HIS EEE ND1 1 ? 7  
ATOM   2500 C  CD2 . HIS B 2 190 ? 35.418  -3.638  -29.171 1.000 46.403  0 519 HIS EEE CD2 1 ? 7  
ATOM   2501 C  CE1 . HIS B 2 190 ? 34.799  -2.416  -30.884 1.000 45.527  0 519 HIS EEE CE1 1 ? 7  
ATOM   2502 N  NE2 . HIS B 2 190 ? 35.719  -2.539  -29.926 1.000 46.189  0 519 HIS EEE NE2 1 ? 7  
ATOM   2503 N  N   . ALA B 2 191 ? 30.162  -3.766  -28.844 1.000 35.678  0 520 ALA EEE N   1 ? 7  
ATOM   2504 C  CA  . ALA B 2 191 ? 28.976  -3.192  -29.518 1.000 36.896  0 520 ALA EEE CA  1 ? 7  
ATOM   2505 C  C   . ALA B 2 191 ? 28.358  -2.197  -28.554 1.000 39.154  0 520 ALA EEE C   1 ? 7  
ATOM   2506 O  O   . ALA B 2 191 ? 28.643  -2.278  -27.366 1.000 39.697  0 520 ALA EEE O   1 ? 7  
ATOM   2507 C  CB  . ALA B 2 191 ? 27.985  -4.275  -29.865 1.000 34.620  0 520 ALA EEE CB  1 ? 7  
ATOM   2508 N  N   . PRO B 2 192 ? 27.486  -1.266  -28.997 1.000 43.758  0 521 PRO EEE N   1 ? 7  
ATOM   2509 C  CA  . PRO B 2 192 ? 26.766  -0.398  -28.062 1.000 46.672  0 521 PRO EEE CA  1 ? 7  
ATOM   2510 C  C   . PRO B 2 192 ? 26.072  -1.161  -26.916 1.000 44.421  0 521 PRO EEE C   1 ? 7  
ATOM   2511 O  O   . PRO B 2 192 ? 25.493  -2.201  -27.160 1.000 47.262  0 521 PRO EEE O   1 ? 7  
ATOM   2512 C  CB  . PRO B 2 192 ? 25.773  0.312   -28.994 1.000 51.062  0 521 PRO EEE CB  1 ? 7  
ATOM   2513 C  CG  . PRO B 2 192 ? 26.518  0.389   -30.307 1.000 52.846  0 521 PRO EEE CG  1 ? 7  
ATOM   2514 C  CD  . PRO B 2 192 ? 27.189  -0.965  -30.408 1.000 46.950  0 521 PRO EEE CD  1 ? 7  
ATOM   2515 N  N   . ALA B 2 193 ? 26.166  -0.647  -25.681 1.000 46.848  0 522 ALA EEE N   1 ? 7  
ATOM   2516 C  CA  . ALA B 2 193 ? 25.665  -1.303  -24.446 1.000 46.567  0 522 ALA EEE CA  1 ? 7  
ATOM   2517 C  C   . ALA B 2 193 ? 24.321  -0.696  -24.046 1.000 47.145  0 522 ALA EEE C   1 ? 7  
ATOM   2518 O  O   . ALA B 2 193 ? 24.308  0.202   -23.167 1.000 53.216  0 522 ALA EEE O   1 ? 7  
ATOM   2519 C  CB  . ALA B 2 193 ? 26.665  -1.161  -23.321 1.000 52.279  0 522 ALA EEE CB  1 ? 7  
ATOM   2520 N  N   . THR B 2 194 ? 23.237  -1.229  -24.610 1.000 45.386  0 523 THR EEE N   1 ? 7  
ATOM   2521 C  CA  . THR B 2 194 ? 21.918  -0.558  -24.666 1.000 47.794  0 523 THR EEE CA  1 ? 7  
ATOM   2522 C  C   . THR B 2 194 ? 20.963  -1.046  -23.573 1.000 45.480  0 523 THR EEE C   1 ? 7  
ATOM   2523 O  O   . THR B 2 194 ? 19.856  -0.491  -23.533 1.000 51.623  0 523 THR EEE O   1 ? 7  
ATOM   2524 C  CB  . THR B 2 194 ? 21.296  -0.745  -26.051 1.000 55.066  0 523 THR EEE CB  1 ? 7  
ATOM   2525 O  OG1 . THR B 2 194 ? 20.966  -2.134  -26.169 1.000 56.153  0 523 THR EEE OG1 1 ? 7  
ATOM   2526 C  CG2 . THR B 2 194 ? 22.218  -0.287  -27.160 1.000 61.540  0 523 THR EEE CG2 1 ? 7  
ATOM   2527 N  N   . VAL B 2 195 ? 21.350  -1.998  -22.712 1.000 42.097  0 524 VAL EEE N   1 ? 7  
ATOM   2528 C  CA  . VAL B 2 195 ? 20.524  -2.342  -21.505 1.000 40.416  0 524 VAL EEE CA  1 ? 7  
ATOM   2529 C  C   . VAL B 2 195 ? 21.238  -1.874  -20.240 1.000 40.779  0 524 VAL EEE C   1 ? 7  
ATOM   2530 O  O   . VAL B 2 195 ? 22.187  -2.543  -19.798 1.000 40.074  0 524 VAL EEE O   1 ? 7  
ATOM   2531 C  CB  . VAL B 2 195 ? 20.194  -3.836  -21.351 1.000 42.748  0 524 VAL EEE CB  1 ? 7  
ATOM   2532 C  CG1 . VAL B 2 195 ? 19.175  -4.064  -20.238 1.000 43.270  0 524 VAL EEE CG1 1 ? 7  
ATOM   2533 C  CG2 . VAL B 2 195 ? 19.704  -4.443  -22.624 1.000 45.415  0 524 VAL EEE CG2 1 ? 7  
ATOM   2534 N  N   . CYS B 2 196 ? 20.688  -0.850  -19.606 1.000 41.134  0 525 CYS EEE N   1 ? 7  
ATOM   2535 C  CA  . CYS B 2 196 ? 21.311  -0.149  -18.459 1.000 42.218  0 525 CYS EEE CA  1 ? 7  
ATOM   2536 C  C   . CYS B 2 196 ? 20.361  -0.151  -17.267 1.000 42.218  0 525 CYS EEE C   1 ? 7  
ATOM   2537 O  O   . CYS B 2 196 ? 19.156  0.017   -17.470 1.000 41.604  0 525 CYS EEE O   1 ? 7  
ATOM   2538 C  CB  . CYS B 2 196 ? 21.650  1.283   -18.844 1.000 45.090  0 525 CYS EEE CB  1 ? 7  
ATOM   2539 S  SG  . CYS B 2 196 ? 22.865  1.381   -20.182 1.000 49.502  0 525 CYS EEE SG  1 ? 7  
ATOM   2540 N  N   . GLY B 2 197 ? 20.918  -0.269  -16.063 1.000 43.333  0 526 GLY EEE N   1 ? 7  
ATOM   2541 C  CA  . GLY B 2 197 ? 20.201  0.077   -14.834 1.000 43.713  0 526 GLY EEE CA  1 ? 7  
ATOM   2542 C  C   . GLY B 2 197 ? 19.965  1.584   -14.781 1.000 46.023  0 526 GLY EEE C   1 ? 7  
ATOM   2543 O  O   . GLY B 2 197 ? 20.592  2.339   -15.525 1.000 48.878  0 526 GLY EEE O   1 ? 7  
ATOM   2544 N  N   . PRO B 2 198 ? 19.050  2.058   -13.915 1.000 46.895  0 527 PRO EEE N   1 ? 7  
ATOM   2545 C  CA  . PRO B 2 198 ? 18.632  3.459   -13.927 1.000 49.491  0 527 PRO EEE CA  1 ? 7  
ATOM   2546 C  C   . PRO B 2 198 ? 19.750  4.440   -13.535 1.000 53.526  0 527 PRO EEE C   1 ? 7  
ATOM   2547 O  O   . PRO B 2 198 ? 19.685  5.565   -13.984 1.000 57.794  0 527 PRO EEE O   1 ? 7  
ATOM   2548 C  CB  . PRO B 2 198 ? 17.503  3.538   -12.887 1.000 49.971  0 527 PRO EEE CB  1 ? 7  
ATOM   2549 C  CG  . PRO B 2 198 ? 17.152  2.096   -12.561 1.000 48.227  0 527 PRO EEE CG  1 ? 7  
ATOM   2550 C  CD  . PRO B 2 198 ? 18.381  1.272   -12.867 1.000 46.430  0 527 PRO EEE CD  1 ? 7  
ATOM   2551 N  N   . LYS B 2 199 ? 20.713  3.999   -12.710 1.000 55.832  0 528 LYS EEE N   1 ? 7  
ATOM   2552 C  CA  . LYS B 2 199 ? 21.834  4.835   -12.180 1.000 62.401  0 528 LYS EEE CA  1 ? 7  
ATOM   2553 C  C   . LYS B 2 199 ? 22.836  5.128   -13.306 1.000 64.030  0 528 LYS EEE C   1 ? 7  
ATOM   2554 O  O   . LYS B 2 199 ? 23.468  6.198   -13.272 1.000 72.496  0 528 LYS EEE O   1 ? 7  
ATOM   2555 C  CB  . LYS B 2 199 ? 22.561  4.134   -11.027 1.000 65.839  0 528 LYS EEE CB  1 ? 7  
ATOM   2556 C  CG  . LYS B 2 199 ? 21.849  4.172   -9.686  1.000 68.472  0 528 LYS EEE CG  1 ? 7  
ATOM   2557 C  CD  . LYS B 2 199 ? 22.274  5.336   -8.832  1.000 76.915  0 528 LYS EEE CD  1 ? 7  
ATOM   2558 C  CE  . LYS B 2 199 ? 21.318  5.606   -7.690  1.000 79.462  0 528 LYS EEE CE  1 ? 7  
ATOM   2559 N  NZ  . LYS B 2 199 ? 21.560  6.933   -7.079  1.000 87.455  0 528 LYS EEE NZ  1 ? 7  
ATOM   2560 N  N   . LYS B 2 200 ? 22.969  4.208   -14.261 1.000 61.501  0 529 LYS EEE N   1 ? 7  
ATOM   2561 C  CA  . LYS B 2 200 ? 23.926  4.305   -15.393 1.000 64.886  0 529 LYS EEE CA  1 ? 7  
ATOM   2562 C  C   . LYS B 2 200 ? 23.155  4.698   -16.662 1.000 68.611  0 529 LYS EEE C   1 ? 7  
ATOM   2563 O  O   . LYS B 2 200 ? 23.499  4.197   -17.733 1.000 78.966  0 529 LYS EEE O   1 ? 7  
ATOM   2564 C  CB  . LYS B 2 200 ? 24.682  2.973   -15.492 1.000 63.426  0 529 LYS EEE CB  1 ? 7  
ATOM   2565 C  CG  . LYS B 2 200 ? 25.877  2.928   -16.438 1.000 66.185  0 529 LYS EEE CG  1 ? 7  
ATOM   2566 C  CD  . LYS B 2 200 ? 27.021  3.851   -16.092 1.000 74.197  0 529 LYS EEE CD  1 ? 7  
ATOM   2567 C  CE  . LYS B 2 200 ? 27.889  3.351   -14.959 1.000 80.495  0 529 LYS EEE CE  1 ? 7  
ATOM   2568 N  NZ  . LYS B 2 200 ? 28.776  4.426   -14.447 1.000 89.277  0 529 LYS EEE NZ  1 ? 7  
ATOM   2569 N  N   . SER B 2 201 ? 22.153  5.577   -16.547 1.000 76.234  0 530 SER EEE N   1 ? 7  
ATOM   2570 C  CA  . SER B 2 201 ? 21.332  6.092   -17.678 1.000 79.862  0 530 SER EEE CA  1 ? 7  
ATOM   2571 C  C   . SER B 2 201 ? 21.462  7.616   -17.773 1.000 85.792  0 530 SER EEE C   1 ? 7  
ATOM   2572 O  O   . SER B 2 201 ? 21.112  8.318   -16.832 1.000 92.133  0 530 SER EEE O   1 ? 7  
ATOM   2573 C  CB  . SER B 2 201 ? 19.892  5.670   -17.538 1.000 78.310  0 530 SER EEE CB  1 ? 7  
ATOM   2574 O  OG  . SER B 2 201 ? 19.763  4.276   -17.778 1.000 72.282  0 530 SER EEE OG  1 ? 7  
ATOM   2575 N  N   . GLN C 3 3   ? -10.448 -34.141 -29.691 1.000 51.629  0 1   GLN FFF N   1 ? 8  
ATOM   2576 C  CA  . GLN C 3 3   ? -10.837 -35.491 -30.188 1.000 48.551  0 1   GLN FFF CA  1 ? 8  
ATOM   2577 C  C   . GLN C 3 3   ? -10.650 -35.558 -31.711 1.000 44.678  0 1   GLN FFF C   1 ? 8  
ATOM   2578 O  O   . GLN C 3 3   ? -10.985 -34.576 -32.403 1.000 48.907  0 1   GLN FFF O   1 ? 8  
ATOM   2579 C  CB  . GLN C 3 3   ? -12.281 -35.823 -29.807 1.000 55.530  0 1   GLN FFF CB  1 ? 8  
ATOM   2580 C  CG  . GLN C 3 3   ? -12.623 -37.293 -30.006 1.000 59.267  0 1   GLN FFF CG  1 ? 8  
ATOM   2581 C  CD  . GLN C 3 3   ? -13.860 -37.753 -29.269 1.000 72.463  0 1   GLN FFF CD  1 ? 8  
ATOM   2582 O  OE1 . GLN C 3 3   ? -14.636 -38.563 -29.774 1.000 74.434  0 1   GLN FFF OE1 1 ? 8  
ATOM   2583 N  NE2 . GLN C 3 3   ? -14.038 -37.270 -28.050 1.000 84.445  0 1   GLN FFF NE2 1 ? 8  
ATOM   2584 N  N   . VAL C 3 4   ? -10.141 -36.692 -32.191 1.000 40.513  0 2   VAL FFF N   1 ? 8  
ATOM   2585 C  CA  . VAL C 3 4   ? -9.870  -36.994 -33.629 1.000 35.668  0 2   VAL FFF CA  1 ? 8  
ATOM   2586 C  C   . VAL C 3 4   ? -10.634 -38.266 -33.985 1.000 32.051  0 2   VAL FFF C   1 ? 8  
ATOM   2587 O  O   . VAL C 3 4   ? -10.902 -39.081 -33.067 1.000 33.412  0 2   VAL FFF O   1 ? 8  
ATOM   2588 C  CB  . VAL C 3 4   ? -8.359  -37.182 -33.867 1.000 42.990  0 2   VAL FFF CB  1 ? 8  
ATOM   2589 C  CG1 . VAL C 3 4   ? -8.046  -37.311 -35.352 1.000 47.575  0 2   VAL FFF CG1 1 ? 8  
ATOM   2590 C  CG2 . VAL C 3 4   ? -7.549  -36.055 -33.249 1.000 47.494  0 2   VAL FFF CG2 1 ? 8  
ATOM   2591 N  N   . GLN C 3 5   ? -10.879 -38.513 -35.270 1.000 29.622  0 3   GLN FFF N   1 ? 8  
ATOM   2592 C  CA  . GLN C 3 5   ? -11.463 -39.807 -35.705 1.000 27.183  0 3   GLN FFF CA  1 ? 8  
ATOM   2593 C  C   . GLN C 3 5   ? -10.353 -40.813 -36.053 1.000 24.865  0 3   GLN FFF C   1 ? 8  
ATOM   2594 O  O   . GLN C 3 5   ? -9.559  -40.567 -36.994 1.000 28.782  0 3   GLN FFF O   1 ? 8  
ATOM   2595 C  CB  . GLN C 3 5   ? -12.408 -39.613 -36.890 1.000 28.784  0 3   GLN FFF CB  1 ? 8  
ATOM   2596 C  CG  . GLN C 3 5   ? -13.142 -40.890 -37.232 1.000 28.905  0 3   GLN FFF CG  1 ? 8  
ATOM   2597 C  CD  . GLN C 3 5   ? -14.184 -40.694 -38.315 1.000 33.038  0 3   GLN FFF CD  1 ? 8  
ATOM   2598 O  OE1 . GLN C 3 5   ? -14.538 -39.574 -38.670 1.000 39.997  0 3   GLN FFF OE1 1 ? 8  
ATOM   2599 N  NE2 . GLN C 3 5   ? -14.760 -41.789 -38.763 1.000 34.301  0 3   GLN FFF NE2 1 ? 8  
ATOM   2600 N  N   . LEU C 3 6   ? -10.302 -41.933 -35.342 1.000 23.610  0 4   LEU FFF N   1 ? 8  
ATOM   2601 C  CA  . LEU C 3 6   ? -9.408  -43.067 -35.684 1.000 21.624  0 4   LEU FFF CA  1 ? 8  
ATOM   2602 C  C   . LEU C 3 6   ? -10.259 -44.123 -36.361 1.000 22.574  0 4   LEU FFF C   1 ? 8  
ATOM   2603 O  O   . LEU C 3 6   ? -11.297 -44.519 -35.804 1.000 23.248  0 4   LEU FFF O   1 ? 8  
ATOM   2604 C  CB  . LEU C 3 6   ? -8.745  -43.655 -34.435 1.000 23.090  0 4   LEU FFF CB  1 ? 8  
ATOM   2605 C  CG  . LEU C 3 6   ? -7.969  -42.691 -33.560 1.000 25.561  0 4   LEU FFF CG  1 ? 8  
ATOM   2606 C  CD1 . LEU C 3 6   ? -7.253  -43.451 -32.437 1.000 24.574  0 4   LEU FFF CD1 1 ? 8  
ATOM   2607 C  CD2 . LEU C 3 6   ? -7.021  -41.812 -34.288 1.000 27.749  0 4   LEU FFF CD2 1 ? 8  
ATOM   2608 N  N   . VAL C 3 7   ? -9.852  -44.513 -37.574 1.000 21.223  0 5   VAL FFF N   1 ? 8  
ATOM   2609 C  CA  . VAL C 3 7   ? -10.601 -45.520 -38.358 1.000 20.541  0 5   VAL FFF CA  1 ? 8  
ATOM   2610 C  C   . VAL C 3 7   ? -9.855  -46.836 -38.190 1.000 19.790  0 5   VAL FFF C   1 ? 8  
ATOM   2611 O  O   . VAL C 3 7   ? -8.687  -46.965 -38.666 1.000 20.046  0 5   VAL FFF O   1 ? 8  
ATOM   2612 C  CB  . VAL C 3 7   ? -10.737 -45.116 -39.838 1.000 22.766  0 5   VAL FFF CB  1 ? 8  
ATOM   2613 C  CG1 . VAL C 3 7   ? -11.484 -46.207 -40.602 1.000 24.311  0 5   VAL FFF CG1 1 ? 8  
ATOM   2614 C  CG2 . VAL C 3 7   ? -11.415 -43.758 -39.969 1.000 24.250  0 5   VAL FFF CG2 1 ? 8  
ATOM   2615 N  N   . GLU C 3 8   ? -10.474 -47.730 -37.441 1.000 20.594  0 6   GLU FFF N   1 ? 8  
ATOM   2616 C  CA  . GLU C 3 8   ? -9.853  -49.008 -37.034 1.000 20.560  0 6   GLU FFF CA  1 ? 8  
ATOM   2617 C  C   . GLU C 3 8   ? -10.427 -50.116 -37.920 1.000 21.984  0 6   GLU FFF C   1 ? 8  
ATOM   2618 O  O   . GLU C 3 8   ? -11.645 -50.097 -38.201 1.000 21.854  0 6   GLU FFF O   1 ? 8  
ATOM   2619 C  CB  . GLU C 3 8   ? -10.189 -49.289 -35.571 1.000 21.734  0 6   GLU FFF CB  1 ? 8  
ATOM   2620 C  CG  . GLU C 3 8   ? -9.469  -50.480 -35.020 1.000 23.470  0 6   GLU FFF CG  1 ? 8  
ATOM   2621 C  CD  . GLU C 3 8   ? -9.718  -50.750 -33.547 1.000 23.967  0 6   GLU FFF CD  1 ? 8  
ATOM   2622 O  OE1 . GLU C 3 8   ? -9.958  -49.768 -32.768 1.000 23.367  0 6   GLU FFF OE1 1 ? 8  
ATOM   2623 O  OE2 . GLU C 3 8   ? -9.645  -51.946 -33.176 1.000 24.783  0 6   GLU FFF OE2 1 ? 8  
ATOM   2624 N  N   . SER C 3 9   ? -9.599  -51.075 -38.308 1.000 20.490  0 7   SER FFF N   1 ? 8  
ATOM   2625 C  CA  A SER C 3 9   ? -10.055 -52.219 -39.134 0.500 21.890  0 7   SER FFF CA  1 ? 8  
ATOM   2626 C  CA  B SER C 3 9   ? -10.025 -52.210 -39.166 0.500 23.293  0 7   SER FFF CA  1 ? 8  
ATOM   2627 C  C   . SER C 3 9   ? -9.264  -53.485 -38.807 1.000 22.306  0 7   SER FFF C   1 ? 8  
ATOM   2628 O  O   . SER C 3 9   ? -8.224  -53.402 -38.127 1.000 22.327  0 7   SER FFF O   1 ? 8  
ATOM   2629 C  CB  A SER C 3 9   ? -9.979  -51.875 -40.612 0.500 22.079  0 7   SER FFF CB  1 ? 8  
ATOM   2630 C  CB  B SER C 3 9   ? -9.834  -51.885 -40.633 0.500 27.071  0 7   SER FFF CB  1 ? 8  
ATOM   2631 O  OG  A SER C 3 9   ? -8.637  -51.773 -41.066 0.500 22.360  0 7   SER FFF OG  1 ? 8  
ATOM   2632 O  OG  B SER C 3 9   ? -10.187 -53.000 -41.445 0.500 33.139  0 7   SER FFF OG  1 ? 8  
ATOM   2633 N  N   . GLY C 3 10  ? -9.758  -54.603 -39.314 1.000 23.818  0 8   GLY FFF N   1 ? 8  
ATOM   2634 C  CA  . GLY C 3 10  ? -9.075  -55.887 -39.244 1.000 25.661  0 8   GLY FFF CA  1 ? 8  
ATOM   2635 C  C   . GLY C 3 10  ? -9.722  -56.739 -38.183 1.000 26.440  0 8   GLY FFF C   1 ? 8  
ATOM   2636 O  O   . GLY C 3 10  ? -10.753 -56.349 -37.611 1.000 33.043  0 8   GLY FFF O   1 ? 8  
ATOM   2637 N  N   . GLY C 3 11  ? -9.099  -57.843 -37.888 1.000 32.942  0 9   GLY FFF N   1 ? 8  
ATOM   2638 C  CA  . GLY C 3 11  ? -9.608  -58.738 -36.844 1.000 35.658  0 9   GLY FFF CA  1 ? 8  
ATOM   2639 C  C   . GLY C 3 11  ? -10.417 -59.833 -37.480 1.000 34.188  0 9   GLY FFF C   1 ? 8  
ATOM   2640 O  O   . GLY C 3 11  ? -10.409 -59.950 -38.721 1.000 42.306  0 9   GLY FFF O   1 ? 8  
ATOM   2641 N  N   . GLY C 3 12  ? -11.104 -60.610 -36.678 1.000 31.536  0 10  GLY FFF N   1 ? 8  
ATOM   2642 C  CA  . GLY C 3 12  ? -11.838 -61.781 -37.170 1.000 33.367  0 10  GLY FFF CA  1 ? 8  
ATOM   2643 C  C   . GLY C 3 12  ? -11.407 -63.020 -36.426 1.000 33.314  0 10  GLY FFF C   1 ? 8  
ATOM   2644 O  O   . GLY C 3 12  ? -10.847 -62.891 -35.313 1.000 31.342  0 10  GLY FFF O   1 ? 8  
ATOM   2645 N  N   . LEU C 3 13  ? -11.681 -64.164 -37.033 1.000 36.326  0 11  LEU FFF N   1 ? 8  
ATOM   2646 C  CA  . LEU C 3 13  ? -11.487 -65.511 -36.454 1.000 38.984  0 11  LEU FFF CA  1 ? 8  
ATOM   2647 C  C   . LEU C 3 13  ? -10.179 -66.085 -36.994 1.000 41.492  0 11  LEU FFF C   1 ? 8  
ATOM   2648 O  O   . LEU C 3 13  ? -9.933  -66.001 -38.211 1.000 44.275  0 11  LEU FFF O   1 ? 8  
ATOM   2649 C  CB  . LEU C 3 13  ? -12.682 -66.389 -36.830 1.000 43.653  0 11  LEU FFF CB  1 ? 8  
ATOM   2650 C  CG  . LEU C 3 13  ? -12.619 -67.844 -36.356 1.000 46.578  0 11  LEU FFF CG  1 ? 8  
ATOM   2651 C  CD1 . LEU C 3 13  ? -12.458 -67.931 -34.843 1.000 45.632  0 11  LEU FFF CD1 1 ? 8  
ATOM   2652 C  CD2 . LEU C 3 13  ? -13.862 -68.600 -36.801 1.000 52.822  0 11  LEU FFF CD2 1 ? 8  
ATOM   2653 N  N   . VAL C 3 14  ? -9.363  -66.646 -36.115 1.000 38.819  0 12  VAL FFF N   1 ? 8  
ATOM   2654 C  CA  . VAL C 3 14  ? -8.074  -67.272 -36.507 1.000 43.493  0 12  VAL FFF CA  1 ? 8  
ATOM   2655 C  C   . VAL C 3 14  ? -7.879  -68.492 -35.616 1.000 43.859  0 12  VAL FFF C   1 ? 8  
ATOM   2656 O  O   . VAL C 3 14  ? -8.485  -68.539 -34.515 1.000 42.113  0 12  VAL FFF O   1 ? 8  
ATOM   2657 C  CB  . VAL C 3 14  ? -6.926  -66.254 -36.416 1.000 45.260  0 12  VAL FFF CB  1 ? 8  
ATOM   2658 C  CG1 . VAL C 3 14  ? -6.798  -65.719 -35.007 1.000 50.419  0 12  VAL FFF CG1 1 ? 8  
ATOM   2659 C  CG2 . VAL C 3 14  ? -5.602  -66.813 -36.911 1.000 51.185  0 12  VAL FFF CG2 1 ? 8  
ATOM   2660 N  N   . LYS C 3 15  ? -7.129  -69.469 -36.112 1.000 46.225  0 13  LYS FFF N   1 ? 9  
ATOM   2661 C  CA  . LYS C 3 15  ? -6.802  -70.709 -35.368 1.000 48.425  0 13  LYS FFF CA  1 ? 9  
ATOM   2662 C  C   . LYS C 3 15  ? -5.644  -70.396 -34.419 1.000 44.904  0 13  LYS FFF C   1 ? 9  
ATOM   2663 O  O   . LYS C 3 15  ? -4.822  -69.510 -34.730 1.000 42.475  0 13  LYS FFF O   1 ? 9  
ATOM   2664 C  CB  . LYS C 3 15  ? -6.468  -71.858 -36.327 1.000 56.171  0 13  LYS FFF CB  1 ? 9  
ATOM   2665 C  CG  . LYS C 3 15  ? -7.670  -72.450 -37.056 1.000 62.798  0 13  LYS FFF CG  1 ? 9  
ATOM   2666 C  CD  . LYS C 3 15  ? -7.506  -73.915 -37.419 1.000 71.671  0 13  LYS FFF CD  1 ? 9  
ATOM   2667 C  CE  . LYS C 3 15  ? -8.758  -74.528 -38.011 1.000 81.067  0 13  LYS FFF CE  1 ? 9  
ATOM   2668 N  NZ  . LYS C 3 15  ? -9.047  -73.997 -39.366 1.000 88.305  0 13  LYS FFF NZ  1 ? 9  
ATOM   2669 N  N   . THR C 3 16  ? -5.599  -71.082 -33.283 1.000 45.998  0 14  THR FFF N   1 ? 9  
ATOM   2670 C  CA  . THR C 3 16  ? -4.449  -71.016 -32.348 1.000 44.883  0 14  THR FFF CA  1 ? 9  
ATOM   2671 C  C   . THR C 3 16  ? -3.171  -71.114 -33.189 1.000 43.539  0 14  THR FFF C   1 ? 9  
ATOM   2672 O  O   . THR C 3 16  ? -3.129  -71.982 -34.090 1.000 45.784  0 14  THR FFF O   1 ? 9  
ATOM   2673 C  CB  . THR C 3 16  ? -4.556  -72.106 -31.280 1.000 48.803  0 14  THR FFF CB  1 ? 9  
ATOM   2674 O  OG1 . THR C 3 16  ? -5.810  -71.899 -30.629 1.000 53.103  0 14  THR FFF OG1 1 ? 9  
ATOM   2675 C  CG2 . THR C 3 16  ? -3.422  -72.071 -30.279 1.000 48.743  0 14  THR FFF CG2 1 ? 9  
ATOM   2676 N  N   . GLY C 3 17  ? -2.205  -70.228 -32.945 1.000 41.232  0 15  GLY FFF N   1 ? 9  
ATOM   2677 C  CA  . GLY C 3 17  ? -0.884  -70.245 -33.598 1.000 41.949  0 15  GLY FFF CA  1 ? 9  
ATOM   2678 C  C   . GLY C 3 17  ? -0.855  -69.342 -34.813 1.000 40.475  0 15  GLY FFF C   1 ? 9  
ATOM   2679 O  O   . GLY C 3 17  ? 0.249   -69.084 -35.326 1.000 44.000  0 15  GLY FFF O   1 ? 9  
ATOM   2680 N  N   . GLY C 3 18  ? -2.026  -68.872 -35.248 1.000 40.018  0 16  GLY FFF N   1 ? 9  
ATOM   2681 C  CA  . GLY C 3 18  ? -2.187  -68.029 -36.443 1.000 39.245  0 16  GLY FFF CA  1 ? 9  
ATOM   2682 C  C   . GLY C 3 18  ? -1.849  -66.571 -36.195 1.000 35.934  0 16  GLY FFF C   1 ? 9  
ATOM   2683 O  O   . GLY C 3 18  ? -1.450  -66.207 -35.059 1.000 34.941  0 16  GLY FFF O   1 ? 9  
ATOM   2684 N  N   . SER C 3 19  ? -2.026  -65.757 -37.237 1.000 35.335  0 17  SER FFF N   1 ? 9  
ATOM   2685 C  CA  . SER C 3 19  ? -1.665  -64.320 -37.312 1.000 32.746  0 17  SER FFF CA  1 ? 9  
ATOM   2686 C  C   . SER C 3 19  ? -2.870  -63.500 -37.782 1.000 29.881  0 17  SER FFF C   1 ? 9  
ATOM   2687 O  O   . SER C 3 19  ? -3.674  -64.010 -38.563 1.000 33.617  0 17  SER FFF O   1 ? 9  
ATOM   2688 C  CB  . SER C 3 19  ? -0.503  -64.112 -38.239 1.000 36.717  0 17  SER FFF CB  1 ? 9  
ATOM   2689 O  OG  . SER C 3 19  ? 0.679   -64.669 -37.696 1.000 40.239  0 17  SER FFF OG  1 ? 9  
ATOM   2690 N  N   . LEU C 3 20  ? -2.987  -62.271 -37.293 1.000 29.490  0 18  LEU FFF N   1 ? 9  
ATOM   2691 C  CA  . LEU C 3 20  ? -3.962  -61.260 -37.771 1.000 29.089  0 18  LEU FFF CA  1 ? 9  
ATOM   2692 C  C   . LEU C 3 20  ? -3.262  -59.907 -37.735 1.000 25.793  0 18  LEU FFF C   1 ? 9  
ATOM   2693 O  O   . LEU C 3 20  ? -2.310  -59.763 -36.954 1.000 27.749  0 18  LEU FFF O   1 ? 9  
ATOM   2694 C  CB  . LEU C 3 20  ? -5.200  -61.218 -36.874 1.000 32.860  0 18  LEU FFF CB  1 ? 9  
ATOM   2695 C  CG  . LEU C 3 20  ? -6.236  -62.304 -37.085 1.000 43.054  0 18  LEU FFF CG  1 ? 9  
ATOM   2696 C  CD1 . LEU C 3 20  ? -7.284  -62.237 -35.976 1.000 51.735  0 18  LEU FFF CD1 1 ? 9  
ATOM   2697 C  CD2 . LEU C 3 20  ? -6.879  -62.186 -38.470 1.000 48.038  0 18  LEU FFF CD2 1 ? 9  
ATOM   2698 N  N   . ARG C 3 21  ? -3.705  -58.969 -38.562 1.000 26.700  0 19  ARG FFF N   1 ? 9  
ATOM   2699 C  CA  . ARG C 3 21  ? -3.222  -57.579 -38.501 1.000 25.360  0 19  ARG FFF CA  1 ? 9  
ATOM   2700 C  C   . ARG C 3 21  ? -4.413  -56.666 -38.225 1.000 28.719  0 19  ARG FFF C   1 ? 9  
ATOM   2701 O  O   . ARG C 3 21  ? -5.403  -56.725 -39.010 1.000 31.661  0 19  ARG FFF O   1 ? 9  
ATOM   2702 C  CB  . ARG C 3 21  ? -2.543  -57.170 -39.808 1.000 26.007  0 19  ARG FFF CB  1 ? 9  
ATOM   2703 C  CG  . ARG C 3 21  ? -1.822  -55.843 -39.715 1.000 26.210  0 19  ARG FFF CG  1 ? 9  
ATOM   2704 C  CD  . ARG C 3 21  ? -1.445  -55.314 -41.070 1.000 28.386  0 19  ARG FFF CD  1 ? 9  
ATOM   2705 N  NE  . ARG C 3 21  ? -2.617  -54.773 -41.752 1.000 28.617  0 19  ARG FFF NE  1 ? 9  
ATOM   2706 C  CZ  . ARG C 3 21  ? -2.568  -54.213 -42.949 1.000 28.134  0 19  ARG FFF CZ  1 ? 9  
ATOM   2707 N  NH1 . ARG C 3 21  ? -1.422  -54.196 -43.612 1.000 28.775  0 19  ARG FFF NH1 1 ? 9  
ATOM   2708 N  NH2 . ARG C 3 21  ? -3.658  -53.691 -43.486 1.000 28.538  0 19  ARG FFF NH2 1 ? 9  
ATOM   2709 N  N   . LEU C 3 22  ? -4.307  -55.833 -37.187 1.000 22.524  0 20  LEU FFF N   1 ? 9  
ATOM   2710 C  CA  . LEU C 3 22  ? -5.233  -54.692 -36.991 1.000 21.947  0 20  LEU FFF CA  1 ? 9  
ATOM   2711 C  C   . LEU C 3 22  ? -4.587  -53.420 -37.531 1.000 20.504  0 20  LEU FFF C   1 ? 9  
ATOM   2712 O  O   . LEU C 3 22  ? -3.352  -53.288 -37.472 1.000 22.355  0 20  LEU FFF O   1 ? 9  
ATOM   2713 C  CB  . LEU C 3 22  ? -5.592  -54.519 -35.513 1.000 21.050  0 20  LEU FFF CB  1 ? 9  
ATOM   2714 C  CG  . LEU C 3 22  ? -6.005  -55.804 -34.817 1.000 25.019  0 20  LEU FFF CG  1 ? 9  
ATOM   2715 C  CD1 . LEU C 3 22  ? -6.398  -55.530 -33.371 1.000 24.827  0 20  LEU FFF CD1 1 ? 9  
ATOM   2716 C  CD2 . LEU C 3 22  ? -7.112  -56.501 -35.586 1.000 28.936  0 20  LEU FFF CD2 1 ? 9  
ATOM   2717 N  N   . SER C 3 23  ? -5.427  -52.518 -38.026 1.000 20.419  0 21  SER FFF N   1 ? 9  
ATOM   2718 C  CA  . SER C 3 23  ? -5.024  -51.203 -38.562 1.000 20.961  0 21  SER FFF CA  1 ? 9  
ATOM   2719 C  C   . SER C 3 23  ? -5.759  -50.111 -37.826 1.000 20.592  0 21  SER FFF C   1 ? 9  
ATOM   2720 O  O   . SER C 3 23  ? -6.941  -50.288 -37.538 1.000 20.370  0 21  SER FFF O   1 ? 9  
ATOM   2721 C  CB  . SER C 3 23  ? -5.363  -51.098 -40.032 1.000 27.095  0 21  SER FFF CB  1 ? 9  
ATOM   2722 O  OG  . SER C 3 23  ? -4.643  -52.060 -40.734 1.000 28.415  0 21  SER FFF OG  1 ? 9  
ATOM   2723 N  N   . CYS C 3 24  ? -5.091  -48.980 -37.684 1.000 20.404  0 22  CYS FFF N   1 ? 9  
ATOM   2724 C  CA  . CYS C 3 24  ? -5.655  -47.754 -37.095 1.000 21.922  0 22  CYS FFF CA  1 ? 9  
ATOM   2725 C  C   . CYS C 3 24  ? -5.146  -46.603 -37.953 1.000 18.882  0 22  CYS FFF C   1 ? 9  
ATOM   2726 O  O   . CYS C 3 24  ? -3.936  -46.429 -38.011 1.000 20.556  0 22  CYS FFF O   1 ? 9  
ATOM   2727 C  CB  . CYS C 3 24  ? -5.188  -47.644 -35.647 1.000 22.002  0 22  CYS FFF CB  1 ? 9  
ATOM   2728 S  SG  . CYS C 3 24  ? -6.039  -46.347 -34.736 1.000 25.643  0 22  CYS FFF SG  1 ? 9  
ATOM   2729 N  N   . ALA C 3 25  ? -6.041  -45.874 -38.607 1.000 19.858  0 23  ALA FFF N   1 ? 9  
ATOM   2730 C  CA  . ALA C 3 25  ? -5.651  -44.774 -39.507 1.000 19.796  0 23  ALA FFF CA  1 ? 9  
ATOM   2731 C  C   . ALA C 3 25  ? -6.238  -43.465 -39.000 1.000 20.889  0 23  ALA FFF C   1 ? 9  
ATOM   2732 O  O   . ALA C 3 25  ? -7.388  -43.446 -38.512 1.000 22.068  0 23  ALA FFF O   1 ? 9  
ATOM   2733 C  CB  . ALA C 3 25  ? -6.095  -45.071 -40.941 1.000 21.359  0 23  ALA FFF CB  1 ? 9  
ATOM   2734 N  N   . ALA C 3 26  ? -5.484  -42.395 -39.201 1.000 21.620  0 24  ALA FFF N   1 ? 9  
ATOM   2735 C  CA  . ALA C 3 26  ? -5.910  -41.026 -38.878 1.000 22.578  0 24  ALA FFF CA  1 ? 9  
ATOM   2736 C  C   . ALA C 3 26  ? -5.216  -40.082 -39.844 1.000 21.976  0 24  ALA FFF C   1 ? 9  
ATOM   2737 O  O   . ALA C 3 26  ? -4.000  -40.209 -40.042 1.000 22.314  0 24  ALA FFF O   1 ? 9  
ATOM   2738 C  CB  . ALA C 3 26  ? -5.550  -40.720 -37.438 1.000 23.881  0 24  ALA FFF CB  1 ? 9  
ATOM   2739 N  N   . SER C 3 27  ? -5.976  -39.166 -40.422 1.000 28.137  0 25  SER FFF N   1 ? 9  
ATOM   2740 C  CA  . SER C 3 27  ? -5.475  -38.220 -41.443 1.000 29.379  0 25  SER FFF CA  1 ? 9  
ATOM   2741 C  C   . SER C 3 27  ? -4.353  -37.359 -40.864 1.000 28.869  0 25  SER FFF C   1 ? 9  
ATOM   2742 O  O   . SER C 3 27  ? -4.419  -36.951 -39.681 1.000 29.143  0 25  SER FFF O   1 ? 9  
ATOM   2743 C  CB  . SER C 3 27  ? -6.577  -37.384 -41.999 1.000 32.290  0 25  SER FFF CB  1 ? 9  
ATOM   2744 O  OG  . SER C 3 27  ? -7.248  -36.725 -40.946 1.000 34.285  0 25  SER FFF OG  1 ? 9  
ATOM   2745 N  N   . GLY C 3 28  ? -3.382  -37.039 -41.714 1.000 29.174  0 26  GLY FFF N   1 ? 9  
ATOM   2746 C  CA  . GLY C 3 28  ? -2.383  -35.996 -41.442 1.000 31.004  0 26  GLY FFF CA  1 ? 9  
ATOM   2747 C  C   . GLY C 3 28  ? -1.514  -36.335 -40.248 1.000 26.843  0 26  GLY FFF C   1 ? 9  
ATOM   2748 O  O   . GLY C 3 28  ? -1.033  -37.492 -40.143 1.000 27.473  0 26  GLY FFF O   1 ? 9  
ATOM   2749 N  N   . ARG C 3 29  ? -1.344  -35.367 -39.355 1.000 27.930  0 27  ARG FFF N   1 ? 9  
ATOM   2750 C  CA  . ARG C 3 29  ? -0.226  -35.374 -38.369 1.000 26.850  0 27  ARG FFF CA  1 ? 9  
ATOM   2751 C  C   . ARG C 3 29  ? -0.629  -36.023 -37.038 1.000 24.088  0 27  ARG FFF C   1 ? 9  
ATOM   2752 O  O   . ARG C 3 29  ? 0.239   -36.032 -36.132 1.000 24.820  0 27  ARG FFF O   1 ? 9  
ATOM   2753 C  CB  . ARG C 3 29  ? 0.327   -33.953 -38.242 1.000 30.873  0 27  ARG FFF CB  1 ? 9  
ATOM   2754 C  CG  . ARG C 3 29  ? 1.125   -33.565 -39.485 1.000 37.955  0 27  ARG FFF CG  1 ? 9  
ATOM   2755 C  CD  . ARG C 3 29  ? 1.568   -32.134 -39.668 1.000 49.586  0 27  ARG FFF CD  1 ? 9  
ATOM   2756 N  NE  . ARG C 3 29  ? 2.565   -32.061 -40.748 1.000 62.428  0 27  ARG FFF NE  1 ? 9  
ATOM   2757 C  CZ  . ARG C 3 29  ? 2.320   -31.981 -42.061 1.000 58.343  0 27  ARG FFF CZ  1 ? 9  
ATOM   2758 N  NH1 . ARG C 3 29  ? 1.081   -31.933 -42.537 1.000 54.694  0 27  ARG FFF NH1 1 ? 9  
ATOM   2759 N  NH2 . ARG C 3 29  ? 3.341   -31.939 -42.903 1.000 61.910  0 27  ARG FFF NH2 1 ? 9  
ATOM   2760 N  N   . THR C 3 30  ? -1.825  -36.599 -36.920 1.000 23.690  0 28  THR FFF N   1 ? 9  
ATOM   2761 C  CA  . THR C 3 30  ? -2.321  -37.170 -35.630 1.000 23.097  0 28  THR FFF CA  1 ? 9  
ATOM   2762 C  C   . THR C 3 30  ? -1.279  -38.118 -35.028 1.000 23.112  0 28  THR FFF C   1 ? 9  
ATOM   2763 O  O   . THR C 3 30  ? -0.860  -37.878 -33.852 1.000 22.254  0 28  THR FFF O   1 ? 9  
ATOM   2764 C  CB  . THR C 3 30  ? -3.685  -37.836 -35.782 1.000 23.067  0 28  THR FFF CB  1 ? 9  
ATOM   2765 O  OG1 . THR C 3 30  ? -4.629  -36.810 -36.091 1.000 27.042  0 28  THR FFF OG1 1 ? 9  
ATOM   2766 C  CG2 . THR C 3 30  ? -4.121  -38.589 -34.551 1.000 24.639  0 28  THR FFF CG2 1 ? 9  
ATOM   2767 N  N   . PHE C 3 31  ? -0.845  -39.160 -35.744 1.000 20.910  0 29  PHE FFF N   1 ? 9  
ATOM   2768 C  CA  . PHE C 3 31  ? 0.050   -40.154 -35.100 1.000 21.181  0 29  PHE FFF CA  1 ? 9  
ATOM   2769 C  C   . PHE C 3 31  ? 1.456   -39.578 -34.886 1.000 22.635  0 29  PHE FFF C   1 ? 9  
ATOM   2770 O  O   . PHE C 3 31  ? 2.202   -40.116 -34.039 1.000 23.600  0 29  PHE FFF O   1 ? 9  
ATOM   2771 C  CB  . PHE C 3 31  ? 0.061   -41.477 -35.853 1.000 20.808  0 29  PHE FFF CB  1 ? 9  
ATOM   2772 C  CG  . PHE C 3 31  ? -1.220  -42.252 -35.764 1.000 20.791  0 29  PHE FFF CG  1 ? 9  
ATOM   2773 C  CD1 . PHE C 3 31  ? -1.784  -42.573 -34.541 1.000 20.876  0 29  PHE FFF CD1 1 ? 9  
ATOM   2774 C  CD2 . PHE C 3 31  ? -1.836  -42.734 -36.906 1.000 21.330  0 29  PHE FFF CD2 1 ? 9  
ATOM   2775 C  CE1 . PHE C 3 31  ? -2.947  -43.315 -34.458 1.000 21.383  0 29  PHE FFF CE1 1 ? 9  
ATOM   2776 C  CE2 . PHE C 3 31  ? -2.989  -43.488 -36.824 1.000 22.517  0 29  PHE FFF CE2 1 ? 9  
ATOM   2777 C  CZ  . PHE C 3 31  ? -3.549  -43.784 -35.609 1.000 22.013  0 29  PHE FFF CZ  1 ? 9  
ATOM   2778 N  N   . SER C 3 32  ? 1.854   -38.537 -35.604 1.000 22.307  0 30  SER FFF N   1 ? 9  
ATOM   2779 C  CA  A SER C 3 32  ? 3.190   -37.935 -35.367 0.600 24.027  0 30  SER FFF CA  1 ? 9  
ATOM   2780 C  CA  B SER C 3 32  ? 3.148   -37.822 -35.452 0.400 24.825  0 30  SER FFF CA  1 ? 9  
ATOM   2781 C  C   . SER C 3 32  ? 3.099   -36.866 -34.262 1.000 24.103  0 30  SER FFF C   1 ? 9  
ATOM   2782 O  O   . SER C 3 32  ? 4.139   -36.269 -33.968 1.000 26.361  0 30  SER FFF O   1 ? 9  
ATOM   2783 C  CB  A SER C 3 32  ? 3.821   -37.434 -36.651 0.600 25.341  0 30  SER FFF CB  1 ? 9  
ATOM   2784 C  CB  B SER C 3 32  ? 3.486   -37.025 -36.690 0.400 25.875  0 30  SER FFF CB  1 ? 9  
ATOM   2785 O  OG  A SER C 3 32  ? 3.014   -36.444 -37.255 0.600 32.115  0 30  SER FFF OG  1 ? 9  
ATOM   2786 O  OG  B SER C 3 32  ? 3.732   -37.875 -37.782 0.400 27.543  0 30  SER FFF OG  1 ? 9  
ATOM   2787 N  N   . THR C 3 33  ? 1.911   -36.681 -33.667 1.000 23.112  0 31  THR FFF N   1 ? 9  
ATOM   2788 C  CA  . THR C 3 33  ? 1.661   -35.666 -32.615 1.000 23.675  0 31  THR FFF CA  1 ? 9  
ATOM   2789 C  C   . THR C 3 33  ? 1.413   -36.353 -31.266 1.000 22.834  0 31  THR FFF C   1 ? 9  
ATOM   2790 O  O   . THR C 3 33  ? 1.906   -35.844 -30.259 1.000 25.620  0 31  THR FFF O   1 ? 9  
ATOM   2791 C  CB  . THR C 3 33  ? 0.460   -34.780 -32.963 1.000 26.049  0 31  THR FFF CB  1 ? 9  
ATOM   2792 O  OG1 . THR C 3 33  ? 0.704   -34.166 -34.236 1.000 28.479  0 31  THR FFF OG1 1 ? 9  
ATOM   2793 C  CG2 . THR C 3 33  ? 0.213   -33.674 -31.952 1.000 28.270  0 31  THR FFF CG2 1 ? 9  
ATOM   2794 N  N   . TYR C 3 34  ? 0.608   -37.403 -31.257 1.000 21.641  0 32  TYR FFF N   1 ? 9  
ATOM   2795 C  CA  . TYR C 3 34  ? 0.134   -38.100 -30.037 1.000 21.323  0 32  TYR FFF CA  1 ? 9  
ATOM   2796 C  C   . TYR C 3 34  ? 0.566   -39.552 -30.094 1.000 21.647  0 32  TYR FFF C   1 ? 9  
ATOM   2797 O  O   . TYR C 3 34  ? 0.302   -40.238 -31.081 1.000 22.219  0 32  TYR FFF O   1 ? 9  
ATOM   2798 C  CB  . TYR C 3 34  ? -1.383  -38.042 -29.921 1.000 22.336  0 32  TYR FFF CB  1 ? 9  
ATOM   2799 C  CG  . TYR C 3 34  ? -1.953  -36.660 -30.015 1.000 25.051  0 32  TYR FFF CG  1 ? 9  
ATOM   2800 C  CD1 . TYR C 3 34  ? -1.845  -35.777 -28.954 1.000 27.691  0 32  TYR FFF CD1 1 ? 9  
ATOM   2801 C  CD2 . TYR C 3 34  ? -2.608  -36.229 -31.162 1.000 26.037  0 32  TYR FFF CD2 1 ? 9  
ATOM   2802 C  CE1 . TYR C 3 34  ? -2.358  -34.498 -29.030 1.000 33.119  0 32  TYR FFF CE1 1 ? 9  
ATOM   2803 C  CE2 . TYR C 3 34  ? -3.129  -34.953 -31.250 1.000 30.145  0 32  TYR FFF CE2 1 ? 9  
ATOM   2804 C  CZ  . TYR C 3 34  ? -3.001  -34.084 -30.179 1.000 36.592  0 32  TYR FFF CZ  1 ? 9  
ATOM   2805 O  OH  . TYR C 3 34  ? -3.498  -32.817 -30.230 1.000 42.449  0 32  TYR FFF OH  1 ? 9  
ATOM   2806 N  N   . SER C 3 35  ? 1.212   -40.036 -29.047 1.000 20.486  0 33  SER FFF N   1 ? 9  
ATOM   2807 C  CA  . SER C 3 35  ? 1.486   -41.485 -28.902 1.000 20.350  0 33  SER FFF CA  1 ? 9  
ATOM   2808 C  C   . SER C 3 35  ? 0.171   -42.282 -28.945 1.000 19.945  0 33  SER FFF C   1 ? 9  
ATOM   2809 O  O   . SER C 3 35  ? -0.899  -41.801 -28.510 1.000 19.703  0 33  SER FFF O   1 ? 9  
ATOM   2810 C  CB  . SER C 3 35  ? 2.275   -41.756 -27.655 1.000 19.358  0 33  SER FFF CB  1 ? 9  
ATOM   2811 O  OG  . SER C 3 35  ? 3.538   -41.119 -27.731 1.000 20.616  0 33  SER FFF OG  1 ? 9  
ATOM   2812 N  N   . MET C 3 36  ? 0.247   -43.495 -29.455 1.000 19.057  0 34  MET FFF N   1 ? 9  
ATOM   2813 C  CA  . MET C 3 36  ? -0.931  -44.344 -29.607 1.000 17.662  0 34  MET FFF CA  1 ? 9  
ATOM   2814 C  C   . MET C 3 36  ? -0.760  -45.611 -28.773 1.000 18.262  0 34  MET FFF C   1 ? 9  
ATOM   2815 O  O   . MET C 3 36  ? 0.385   -46.026 -28.463 1.000 18.969  0 34  MET FFF O   1 ? 9  
ATOM   2816 C  CB  . MET C 3 36  ? -1.228  -44.659 -31.074 1.000 19.696  0 34  MET FFF CB  1 ? 9  
ATOM   2817 C  CG  . MET C 3 36  ? -0.324  -45.712 -31.732 1.000 20.080  0 34  MET FFF CG  1 ? 9  
ATOM   2818 S  SD  . MET C 3 36  ? -0.752  -47.425 -31.297 1.000 21.378  0 34  MET FFF SD  1 ? 9  
ATOM   2819 C  CE  . MET C 3 36  ? -2.422  -47.551 -31.930 1.000 21.827  0 34  MET FFF CE  1 ? 9  
ATOM   2820 N  N   . GLY C 3 37  ? -1.897  -46.171 -28.399 1.000 17.879  0 35  GLY FFF N   1 ? 9  
ATOM   2821 C  CA  . GLY C 3 37  ? -1.947  -47.471 -27.728 1.000 19.031  0 35  GLY FFF CA  1 ? 9  
ATOM   2822 C  C   . GLY C 3 37  ? -3.023  -48.363 -28.319 1.000 18.996  0 35  GLY FFF C   1 ? 9  
ATOM   2823 O  O   . GLY C 3 37  ? -4.075  -47.848 -28.775 1.000 19.487  0 35  GLY FFF O   1 ? 9  
ATOM   2824 N  N   . TRP C 3 38  ? -2.766  -49.660 -28.267 1.000 19.337  0 36  TRP FFF N   1 ? 9  
ATOM   2825 C  CA  . TRP C 3 38  ? -3.738  -50.743 -28.515 1.000 20.320  0 36  TRP FFF CA  1 ? 9  
ATOM   2826 C  C   . TRP C 3 38  ? -4.158  -51.312 -27.159 1.000 19.178  0 36  TRP FFF C   1 ? 9  
ATOM   2827 O  O   . TRP C 3 38  ? -3.235  -51.502 -26.290 1.000 20.094  0 36  TRP FFF O   1 ? 9  
ATOM   2828 C  CB  . TRP C 3 38  ? -3.110  -51.830 -29.385 1.000 22.247  0 36  TRP FFF CB  1 ? 9  
ATOM   2829 C  CG  . TRP C 3 38  ? -2.799  -51.395 -30.776 1.000 19.579  0 36  TRP FFF CG  1 ? 9  
ATOM   2830 C  CD1 . TRP C 3 38  ? -1.594  -51.013 -31.282 1.000 21.027  0 36  TRP FFF CD1 1 ? 9  
ATOM   2831 C  CD2 . TRP C 3 38  ? -3.726  -51.387 -31.862 1.000 20.418  0 36  TRP FFF CD2 1 ? 9  
ATOM   2832 N  NE1 . TRP C 3 38  ? -1.714  -50.728 -32.612 1.000 21.034  0 36  TRP FFF NE1 1 ? 9  
ATOM   2833 C  CE2 . TRP C 3 38  ? -3.007  -50.960 -32.999 1.000 19.357  0 36  TRP FFF CE2 1 ? 9  
ATOM   2834 C  CE3 . TRP C 3 38  ? -5.085  -51.677 -31.967 1.000 20.102  0 36  TRP FFF CE3 1 ? 9  
ATOM   2835 C  CZ2 . TRP C 3 38  ? -3.624  -50.822 -34.242 1.000 21.766  0 36  TRP FFF CZ2 1 ? 9  
ATOM   2836 C  CZ3 . TRP C 3 38  ? -5.678  -51.593 -33.205 1.000 21.588  0 36  TRP FFF CZ3 1 ? 9  
ATOM   2837 C  CH2 . TRP C 3 38  ? -4.960  -51.143 -34.317 1.000 22.053  0 36  TRP FFF CH2 1 ? 9  
ATOM   2838 N  N   . PHE C 3 39  ? -5.457  -51.457 -26.951 1.000 27.338  0 37  PHE FFF N   1 ? 10 
ATOM   2839 C  CA  . PHE C 3 39  ? -6.064  -52.024 -25.723 1.000 25.173  0 37  PHE FFF CA  1 ? 10 
ATOM   2840 C  C   . PHE C 3 39  ? -6.952  -53.182 -26.118 1.000 24.968  0 37  PHE FFF C   1 ? 10 
ATOM   2841 O  O   . PHE C 3 39  ? -7.383  -53.258 -27.305 1.000 26.355  0 37  PHE FFF O   1 ? 10 
ATOM   2842 C  CB  . PHE C 3 39  ? -6.872  -50.940 -25.020 1.000 26.270  0 37  PHE FFF CB  1 ? 10 
ATOM   2843 C  CG  . PHE C 3 39  ? -6.012  -49.915 -24.334 1.000 26.967  0 37  PHE FFF CG  1 ? 10 
ATOM   2844 C  CD1 . PHE C 3 39  ? -5.397  -48.897 -25.034 1.000 27.795  0 37  PHE FFF CD1 1 ? 10 
ATOM   2845 C  CD2 . PHE C 3 39  ? -5.826  -49.980 -22.944 1.000 27.678  0 37  PHE FFF CD2 1 ? 10 
ATOM   2846 C  CE1 . PHE C 3 39  ? -4.629  -47.937 -24.388 1.000 29.294  0 37  PHE FFF CE1 1 ? 10 
ATOM   2847 C  CE2 . PHE C 3 39  ? -5.034  -49.036 -22.311 1.000 29.129  0 37  PHE FFF CE2 1 ? 10 
ATOM   2848 C  CZ  . PHE C 3 39  ? -4.453  -48.009 -23.017 1.000 30.531  0 37  PHE FFF CZ  1 ? 10 
ATOM   2849 N  N   . ARG C 3 40  ? -7.264  -54.066 -25.196 1.000 24.856  0 38  ARG FFF N   1 ? 10 
ATOM   2850 C  CA  . ARG C 3 40  ? -8.245  -55.128 -25.486 1.000 25.636  0 38  ARG FFF CA  1 ? 10 
ATOM   2851 C  C   . ARG C 3 40  ? -9.127  -55.335 -24.262 1.000 26.469  0 38  ARG FFF C   1 ? 10 
ATOM   2852 O  O   . ARG C 3 40  ? -8.661  -55.060 -23.130 1.000 28.104  0 38  ARG FFF O   1 ? 10 
ATOM   2853 C  CB  . ARG C 3 40  ? -7.552  -56.410 -25.930 1.000 26.051  0 38  ARG FFF CB  1 ? 10 
ATOM   2854 C  CG  . ARG C 3 40  ? -6.796  -57.128 -24.820 1.000 26.149  0 38  ARG FFF CG  1 ? 10 
ATOM   2855 C  CD  . ARG C 3 40  ? -5.953  -58.231 -25.386 1.000 27.735  0 38  ARG FFF CD  1 ? 10 
ATOM   2856 N  NE  . ARG C 3 40  ? -5.174  -58.896 -24.359 1.000 29.224  0 38  ARG FFF NE  1 ? 10 
ATOM   2857 C  CZ  . ARG C 3 40  ? -4.344  -59.896 -24.573 1.000 31.748  0 38  ARG FFF CZ  1 ? 10 
ATOM   2858 N  NH1 . ARG C 3 40  ? -4.146  -60.360 -25.802 1.000 32.313  0 38  ARG FFF NH1 1 ? 10 
ATOM   2859 N  NH2 . ARG C 3 40  ? -3.719  -60.461 -23.544 1.000 35.796  0 38  ARG FFF NH2 1 ? 10 
ATOM   2860 N  N   . GLN C 3 41  ? -10.326 -55.812 -24.502 1.000 27.458  0 39  GLN FFF N   1 ? 10 
ATOM   2861 C  CA  . GLN C 3 41  ? -11.323 -56.063 -23.450 1.000 29.234  0 39  GLN FFF CA  1 ? 10 
ATOM   2862 C  C   . GLN C 3 41  ? -12.047 -57.368 -23.747 1.000 32.360  0 39  GLN FFF C   1 ? 10 
ATOM   2863 O  O   . GLN C 3 41  ? -12.709 -57.451 -24.793 1.000 32.765  0 39  GLN FFF O   1 ? 10 
ATOM   2864 C  CB  . GLN C 3 41  ? -12.289 -54.892 -23.368 1.000 30.839  0 39  GLN FFF CB  1 ? 10 
ATOM   2865 C  CG  . GLN C 3 41  ? -13.285 -55.034 -22.228 1.000 33.296  0 39  GLN FFF CG  1 ? 10 
ATOM   2866 C  CD  . GLN C 3 41  ? -13.959 -53.721 -21.939 1.000 38.195  0 39  GLN FFF CD  1 ? 10 
ATOM   2867 O  OE1 . GLN C 3 41  ? -14.172 -52.908 -22.826 1.000 42.749  0 39  GLN FFF OE1 1 ? 10 
ATOM   2868 N  NE2 . GLN C 3 41  ? -14.282 -53.491 -20.671 1.000 43.807  0 39  GLN FFF NE2 1 ? 10 
ATOM   2869 N  N   . ALA C 3 42  ? -11.946 -58.334 -22.837 1.000 36.494  0 40  ALA FFF N   1 ? 10 
ATOM   2870 C  CA  . ALA C 3 42  ? -12.712 -59.596 -22.883 1.000 40.396  0 40  ALA FFF CA  1 ? 10 
ATOM   2871 C  C   . ALA C 3 42  ? -14.025 -59.376 -22.139 1.000 44.934  0 40  ALA FFF C   1 ? 10 
ATOM   2872 O  O   . ALA C 3 42  ? -14.108 -58.456 -21.325 1.000 41.694  0 40  ALA FFF O   1 ? 10 
ATOM   2873 C  CB  . ALA C 3 42  ? -11.891 -60.721 -22.311 1.000 45.807  0 40  ALA FFF CB  1 ? 10 
ATOM   2874 N  N   . PRO C 3 43  ? -15.100 -60.144 -22.443 1.000 50.425  0 41  PRO FFF N   1 ? 10 
ATOM   2875 C  CA  . PRO C 3 43  ? -16.387 -59.989 -21.764 1.000 53.012  0 41  PRO FFF CA  1 ? 10 
ATOM   2876 C  C   . PRO C 3 43  ? -16.264 -60.026 -20.234 1.000 54.776  0 41  PRO FFF C   1 ? 10 
ATOM   2877 O  O   . PRO C 3 43  ? -15.643 -60.946 -19.706 1.000 54.220  0 41  PRO FFF O   1 ? 10 
ATOM   2878 C  CB  . PRO C 3 43  ? -17.229 -61.168 -22.285 1.000 54.749  0 41  PRO FFF CB  1 ? 10 
ATOM   2879 C  CG  . PRO C 3 43  ? -16.646 -61.444 -23.657 1.000 56.758  0 41  PRO FFF CG  1 ? 10 
ATOM   2880 C  CD  . PRO C 3 43  ? -15.162 -61.159 -23.512 1.000 51.485  0 41  PRO FFF CD  1 ? 10 
ATOM   2881 N  N   . GLY C 3 44  ? -16.820 -59.000 -19.578 1.000 55.038  0 42  GLY FFF N   1 ? 10 
ATOM   2882 C  CA  . GLY C 3 44  ? -16.832 -58.835 -18.112 1.000 61.758  0 42  GLY FFF CA  1 ? 10 
ATOM   2883 C  C   . GLY C 3 44  ? -15.455 -58.556 -17.521 1.000 56.429  0 42  GLY FFF C   1 ? 10 
ATOM   2884 O  O   . GLY C 3 44  ? -15.352 -58.598 -16.285 1.000 73.033  0 42  GLY FFF O   1 ? 10 
ATOM   2885 N  N   . LYS C 3 45  ? -14.433 -58.274 -18.339 1.000 50.460  0 43  LYS FFF N   1 ? 10 
ATOM   2886 C  CA  . LYS C 3 45  ? -13.079 -57.907 -17.843 1.000 47.969  0 43  LYS FFF CA  1 ? 10 
ATOM   2887 C  C   . LYS C 3 45  ? -12.794 -56.440 -18.167 1.000 40.586  0 43  LYS FFF C   1 ? 10 
ATOM   2888 O  O   . LYS C 3 45  ? -13.552 -55.808 -18.913 1.000 44.239  0 43  LYS FFF O   1 ? 10 
ATOM   2889 C  CB  . LYS C 3 45  ? -11.985 -58.833 -18.386 1.000 49.904  0 43  LYS FFF CB  1 ? 10 
ATOM   2890 C  CG  . LYS C 3 45  ? -12.257 -60.321 -18.199 1.000 55.242  0 43  LYS FFF CG  1 ? 10 
ATOM   2891 C  CD  . LYS C 3 45  ? -11.021 -61.176 -18.015 1.000 66.883  0 43  LYS FFF CD  1 ? 10 
ATOM   2892 C  CE  . LYS C 3 45  ? -11.338 -62.511 -17.370 1.000 75.805  0 43  LYS FFF CE  1 ? 10 
ATOM   2893 N  NZ  . LYS C 3 45  ? -10.113 -63.235 -16.954 1.000 86.502  0 43  LYS FFF NZ  1 ? 10 
ATOM   2894 N  N   . GLU C 3 46  ? -11.762 -55.896 -17.535 1.000 39.627  0 44  GLU FFF N   1 ? 10 
ATOM   2895 C  CA  . GLU C 3 46  ? -11.339 -54.493 -17.740 1.000 39.785  0 44  GLU FFF CA  1 ? 10 
ATOM   2896 C  C   . GLU C 3 46  ? -10.620 -54.376 -19.091 1.000 35.308  0 44  GLU FFF C   1 ? 10 
ATOM   2897 O  O   . GLU C 3 46  ? -10.023 -55.371 -19.587 1.000 37.727  0 44  GLU FFF O   1 ? 10 
ATOM   2898 C  CB  . GLU C 3 46  ? -10.468 -54.042 -16.566 1.000 43.494  0 44  GLU FFF CB  1 ? 10 
ATOM   2899 C  CG  . GLU C 3 46  ? -11.236 -54.038 -15.255 1.000 51.927  0 44  GLU FFF CG  1 ? 10 
ATOM   2900 C  CD  . GLU C 3 46  ? -10.710 -53.085 -14.194 1.000 60.880  0 44  GLU FFF CD  1 ? 10 
ATOM   2901 O  OE1 . GLU C 3 46  ? -11.539 -52.366 -13.600 1.000 73.620  0 44  GLU FFF OE1 1 ? 10 
ATOM   2902 O  OE2 . GLU C 3 46  ? -9.479  -53.073 -13.952 1.000 71.560  0 44  GLU FFF OE2 1 ? 10 
ATOM   2903 N  N   . ARG C 3 47  ? -10.672 -53.186 -19.674 1.000 34.379  0 45  ARG FFF N   1 ? 10 
ATOM   2904 C  CA  . ARG C 3 47  ? -9.916  -52.865 -20.905 1.000 32.671  0 45  ARG FFF CA  1 ? 10 
ATOM   2905 C  C   . ARG C 3 47  ? -8.431  -52.703 -20.541 1.000 31.917  0 45  ARG FFF C   1 ? 10 
ATOM   2906 O  O   . ARG C 3 47  ? -8.117  -51.782 -19.735 1.000 37.696  0 45  ARG FFF O   1 ? 10 
ATOM   2907 C  CB  . ARG C 3 47  ? -10.521 -51.612 -21.528 1.000 33.187  0 45  ARG FFF CB  1 ? 10 
ATOM   2908 C  CG  . ARG C 3 47  ? -9.937  -51.258 -22.878 1.000 33.414  0 45  ARG FFF CG  1 ? 10 
ATOM   2909 C  CD  . ARG C 3 47  ? -10.596 -50.042 -23.492 1.000 37.097  0 45  ARG FFF CD  1 ? 10 
ATOM   2910 N  NE  . ARG C 3 47  ? -12.022 -50.171 -23.605 1.000 39.413  0 45  ARG FFF NE  1 ? 10 
ATOM   2911 C  CZ  . ARG C 3 47  ? -12.825 -49.433 -24.379 1.000 41.948  0 45  ARG FFF CZ  1 ? 10 
ATOM   2912 N  NH1 . ARG C 3 47  ? -12.344 -48.488 -25.164 1.000 39.577  0 45  ARG FFF NH1 1 ? 10 
ATOM   2913 N  NH2 . ARG C 3 47  ? -14.132 -49.638 -24.341 1.000 50.415  0 45  ARG FFF NH2 1 ? 10 
ATOM   2914 N  N   . GLU C 3 48  ? -7.562  -53.567 -21.068 1.000 30.308  0 46  GLU FFF N   1 ? 10 
ATOM   2915 C  CA  . GLU C 3 48  ? -6.137  -53.659 -20.675 1.000 29.795  0 46  GLU FFF CA  1 ? 10 
ATOM   2916 C  C   . GLU C 3 48  ? -5.238  -53.200 -21.818 1.000 27.466  0 46  GLU FFF C   1 ? 10 
ATOM   2917 O  O   . GLU C 3 48  ? -5.561  -53.466 -22.995 1.000 27.952  0 46  GLU FFF O   1 ? 10 
ATOM   2918 C  CB  . GLU C 3 48  ? -5.739  -55.070 -20.249 1.000 32.636  0 46  GLU FFF CB  1 ? 10 
ATOM   2919 C  CG  . GLU C 3 48  ? -5.851  -56.164 -21.294 1.000 36.257  0 46  GLU FFF CG  1 ? 10 
ATOM   2920 C  CD  . GLU C 3 48  ? -5.492  -57.544 -20.749 1.000 40.877  0 46  GLU FFF CD  1 ? 10 
ATOM   2921 O  OE1 . GLU C 3 48  ? -4.970  -58.392 -21.507 1.000 46.306  0 46  GLU FFF OE1 1 ? 10 
ATOM   2922 O  OE2 . GLU C 3 48  ? -5.744  -57.762 -19.516 1.000 48.678  0 46  GLU FFF OE2 1 ? 10 
ATOM   2923 N  N   . PHE C 3 49  ? -4.132  -52.582 -21.453 1.000 27.317  0 47  PHE FFF N   1 ? 10 
ATOM   2924 C  CA  . PHE C 3 49  ? -3.062  -52.194 -22.383 1.000 25.999  0 47  PHE FFF CA  1 ? 10 
ATOM   2925 C  C   . PHE C 3 49  ? -2.468  -53.434 -23.054 1.000 26.184  0 47  PHE FFF C   1 ? 10 
ATOM   2926 O  O   . PHE C 3 49  ? -2.174  -54.450 -22.401 1.000 27.889  0 47  PHE FFF O   1 ? 10 
ATOM   2927 C  CB  . PHE C 3 49  ? -2.000  -51.364 -21.682 1.000 28.170  0 47  PHE FFF CB  1 ? 10 
ATOM   2928 C  CG  . PHE C 3 49  ? -0.907  -50.953 -22.616 1.000 28.010  0 47  PHE FFF CG  1 ? 10 
ATOM   2929 C  CD1 . PHE C 3 49  ? -1.118  -49.910 -23.496 1.000 28.393  0 47  PHE FFF CD1 1 ? 10 
ATOM   2930 C  CD2 . PHE C 3 49  ? 0.271   -51.662 -22.677 1.000 29.324  0 47  PHE FFF CD2 1 ? 10 
ATOM   2931 C  CE1 . PHE C 3 49  ? -0.119  -49.541 -24.374 1.000 29.534  0 47  PHE FFF CE1 1 ? 10 
ATOM   2932 C  CE2 . PHE C 3 49  ? 1.260   -51.303 -23.575 1.000 27.587  0 47  PHE FFF CE2 1 ? 10 
ATOM   2933 C  CZ  . PHE C 3 49  ? 1.060   -50.238 -24.411 1.000 28.554  0 47  PHE FFF CZ  1 ? 10 
ATOM   2934 N  N   . VAL C 3 50  ? -2.270  -53.323 -24.377 1.000 20.377  0 48  VAL FFF N   1 ? 11 
ATOM   2935 C  CA  . VAL C 3 50  ? -1.639  -54.396 -25.198 1.000 20.029  0 48  VAL FFF CA  1 ? 11 
ATOM   2936 C  C   . VAL C 3 50  ? -0.267  -53.932 -25.686 1.000 19.671  0 48  VAL FFF C   1 ? 11 
ATOM   2937 O  O   . VAL C 3 50  ? 0.739   -54.619 -25.433 1.000 21.817  0 48  VAL FFF O   1 ? 11 
ATOM   2938 C  CB  . VAL C 3 50  ? -2.559  -54.791 -26.367 1.000 19.970  0 48  VAL FFF CB  1 ? 11 
ATOM   2939 C  CG1 . VAL C 3 50  ? -1.860  -55.734 -27.334 1.000 22.472  0 48  VAL FFF CG1 1 ? 11 
ATOM   2940 C  CG2 . VAL C 3 50  ? -3.855  -55.398 -25.859 1.000 22.409  0 48  VAL FFF CG2 1 ? 11 
ATOM   2941 N  N   . ALA C 3 51  ? -0.232  -52.860 -26.479 1.000 19.323  0 49  ALA FFF N   1 ? 11 
ATOM   2942 C  CA  . ALA C 3 51  ? 1.015   -52.392 -27.104 1.000 19.223  0 49  ALA FFF CA  1 ? 11 
ATOM   2943 C  C   . ALA C 3 51  ? 0.814   -50.984 -27.633 1.000 19.671  0 49  ALA FFF C   1 ? 11 
ATOM   2944 O  O   . ALA C 3 51  ? -0.351  -50.559 -27.812 1.000 21.854  0 49  ALA FFF O   1 ? 11 
ATOM   2945 C  CB  . ALA C 3 51  ? 1.397   -53.336 -28.220 1.000 21.801  0 49  ALA FFF CB  1 ? 11 
ATOM   2946 N  N   . GLY C 3 52  ? 1.910   -50.274 -27.844 1.000 18.881  0 50  GLY FFF N   1 ? 11 
ATOM   2947 C  CA  . GLY C 3 52  ? 1.803   -48.908 -28.365 1.000 18.726  0 50  GLY FFF CA  1 ? 11 
ATOM   2948 C  C   . GLY C 3 52  ? 3.051   -48.426 -29.052 1.000 17.062  0 50  GLY FFF C   1 ? 11 
ATOM   2949 O  O   . GLY C 3 52  ? 4.045   -49.170 -29.154 1.000 18.481  0 50  GLY FFF O   1 ? 11 
ATOM   2950 N  N   . MET C 3 53  ? 2.966   -47.189 -29.517 1.000 17.891  0 51  MET FFF N   1 ? 11 
ATOM   2951 C  CA  . MET C 3 53  ? 4.063   -46.527 -30.242 1.000 18.615  0 51  MET FFF CA  1 ? 11 
ATOM   2952 C  C   . MET C 3 53  ? 4.094   -45.050 -29.842 1.000 18.344  0 51  MET FFF C   1 ? 11 
ATOM   2953 O  O   . MET C 3 53  ? 3.022   -44.403 -29.796 1.000 19.474  0 51  MET FFF O   1 ? 11 
ATOM   2954 C  CB  . MET C 3 53  ? 3.879   -46.673 -31.754 1.000 20.190  0 51  MET FFF CB  1 ? 11 
ATOM   2955 C  CG  . MET C 3 53  ? 5.012   -46.047 -32.523 1.000 19.219  0 51  MET FFF CG  1 ? 11 
ATOM   2956 S  SD  . MET C 3 53  ? 4.796   -46.198 -34.323 1.000 22.276  0 51  MET FFF SD  1 ? 11 
ATOM   2957 C  CE  . MET C 3 53  ? 5.698   -47.688 -34.732 1.000 24.160  0 51  MET FFF CE  1 ? 11 
ATOM   2958 N  N   . ARG C 3 54  ? 5.279   -44.542 -29.546 1.000 17.421  0 52  ARG FFF N   1 ? 11 
ATOM   2959 C  CA  . ARG C 3 54  ? 5.473   -43.095 -29.298 1.000 18.625  0 52  ARG FFF CA  1 ? 11 
ATOM   2960 C  C   . ARG C 3 54  ? 5.187   -42.314 -30.588 1.000 18.640  0 52  ARG FFF C   1 ? 11 
ATOM   2961 O  O   . ARG C 3 54  ? 5.382   -42.871 -31.732 1.000 19.262  0 52  ARG FFF O   1 ? 11 
ATOM   2962 C  CB  . ARG C 3 54  ? 6.886   -42.797 -28.810 1.000 19.464  0 52  ARG FFF CB  1 ? 11 
ATOM   2963 C  CG  . ARG C 3 54  ? 7.226   -43.446 -27.474 1.000 19.156  0 52  ARG FFF CG  1 ? 11 
ATOM   2964 C  CD  . ARG C 3 54  ? 6.427   -42.914 -26.297 1.000 17.278  0 52  ARG FFF CD  1 ? 11 
ATOM   2965 N  NE  . ARG C 3 54  ? 6.793   -43.648 -25.103 1.000 19.840  0 52  ARG FFF NE  1 ? 11 
ATOM   2966 C  CZ  . ARG C 3 54  ? 6.313   -43.387 -23.883 1.000 19.474  0 52  ARG FFF CZ  1 ? 11 
ATOM   2967 N  NH1 . ARG C 3 54  ? 5.500   -42.370 -23.690 1.000 19.557  0 52  ARG FFF NH1 1 ? 11 
ATOM   2968 N  NH2 . ARG C 3 54  ? 6.669   -44.149 -22.861 1.000 18.934  0 52  ARG FFF NH2 1 ? 11 
ATOM   2969 N  N   . TRP C 3 55  ? 4.787   -41.064 -30.431 1.000 18.861  0 53  TRP FFF N   1 ? 11 
ATOM   2970 C  CA  . TRP C 3 55  ? 4.503   -40.156 -31.578 1.000 19.171  0 53  TRP FFF CA  1 ? 11 
ATOM   2971 C  C   . TRP C 3 55  ? 5.718   -40.074 -32.507 1.000 20.448  0 53  TRP FFF C   1 ? 11 
ATOM   2972 O  O   . TRP C 3 55  ? 5.542   -39.761 -33.709 1.000 21.105  0 53  TRP FFF O   1 ? 11 
ATOM   2973 C  CB  . TRP C 3 55  ? 4.115   -38.761 -31.100 1.000 19.511  0 53  TRP FFF CB  1 ? 11 
ATOM   2974 C  CG  . TRP C 3 55  ? 5.256   -37.919 -30.621 1.000 21.250  0 53  TRP FFF CG  1 ? 11 
ATOM   2975 C  CD1 . TRP C 3 55  ? 6.024   -37.088 -31.383 1.000 23.799  0 53  TRP FFF CD1 1 ? 11 
ATOM   2976 C  CD2 . TRP C 3 55  ? 5.703   -37.734 -29.258 1.000 21.455  0 53  TRP FFF CD2 1 ? 11 
ATOM   2977 N  NE1 . TRP C 3 55  ? 6.917   -36.410 -30.611 1.000 24.759  0 53  TRP FFF NE1 1 ? 11 
ATOM   2978 C  CE2 . TRP C 3 55  ? 6.761   -36.801 -29.306 1.000 22.629  0 53  TRP FFF CE2 1 ? 11 
ATOM   2979 C  CE3 . TRP C 3 55  ? 5.357   -38.291 -28.018 1.000 21.321  0 53  TRP FFF CE3 1 ? 11 
ATOM   2980 C  CZ2 . TRP C 3 55  ? 7.445   -36.386 -28.164 1.000 24.127  0 53  TRP FFF CZ2 1 ? 11 
ATOM   2981 C  CZ3 . TRP C 3 55  ? 6.015   -37.851 -26.892 1.000 23.218  0 53  TRP FFF CZ3 1 ? 11 
ATOM   2982 C  CH2 . TRP C 3 55  ? 7.054   -36.934 -26.965 1.000 23.862  0 53  TRP FFF CH2 1 ? 11 
ATOM   2983 N  N   . THR C 3 56  ? 6.912   -40.311 -31.986 1.000 19.269  0 54  THR FFF N   1 ? 11 
ATOM   2984 C  CA  . THR C 3 56  ? 8.203   -40.242 -32.722 1.000 21.666  0 54  THR FFF CA  1 ? 11 
ATOM   2985 C  C   . THR C 3 56  ? 8.282   -41.320 -33.810 1.000 19.586  0 54  THR FFF C   1 ? 11 
ATOM   2986 O  O   . THR C 3 56  ? 9.116   -41.168 -34.719 1.000 24.289  0 54  THR FFF O   1 ? 11 
ATOM   2987 C  CB  . THR C 3 56  ? 9.388   -40.447 -31.770 1.000 21.314  0 54  THR FFF CB  1 ? 11 
ATOM   2988 O  OG1 . THR C 3 56  ? 9.284   -41.776 -31.249 1.000 20.749  0 54  THR FFF OG1 1 ? 11 
ATOM   2989 C  CG2 . THR C 3 56  ? 9.428   -39.424 -30.651 1.000 24.706  0 54  THR FFF CG2 1 ? 11 
ATOM   2990 N  N   . GLY C 3 57  ? 7.512   -42.392 -33.682 1.000 19.045  0 55  GLY FFF N   1 ? 11 
ATOM   2991 C  CA  . GLY C 3 57  ? 7.561   -43.556 -34.594 1.000 20.513  0 55  GLY FFF CA  1 ? 11 
ATOM   2992 C  C   . GLY C 3 57  ? 8.756   -44.474 -34.358 1.000 21.577  0 55  GLY FFF C   1 ? 11 
ATOM   2993 O  O   . GLY C 3 57  ? 8.843   -45.509 -35.044 1.000 25.671  0 55  GLY FFF O   1 ? 11 
ATOM   2994 N  N   . SER C 3 58  ? 9.672   -44.126 -33.450 1.000 21.115  0 56  SER FFF N   1 ? 11 
ATOM   2995 C  CA  . SER C 3 58  ? 10.952  -44.853 -33.250 1.000 24.292  0 56  SER FFF CA  1 ? 11 
ATOM   2996 C  C   . SER C 3 58  ? 10.955  -45.665 -31.953 1.000 23.284  0 56  SER FFF C   1 ? 11 
ATOM   2997 O  O   . SER C 3 58  ? 12.000  -46.259 -31.658 1.000 29.289  0 56  SER FFF O   1 ? 11 
ATOM   2998 C  CB  . SER C 3 58  ? 12.125  -43.924 -33.300 1.000 27.503  0 56  SER FFF CB  1 ? 11 
ATOM   2999 O  OG  . SER C 3 58  ? 12.017  -42.912 -32.323 1.000 29.563  0 56  SER FFF OG  1 ? 11 
ATOM   3000 N  N   . SER C 3 59  ? 9.859   -45.668 -31.209 1.000 19.168  0 57  SER FFF N   1 ? 11 
ATOM   3001 C  CA  . SER C 3 59  ? 9.735   -46.447 -29.959 1.000 19.137  0 57  SER FFF CA  1 ? 11 
ATOM   3002 C  C   . SER C 3 59  ? 8.404   -47.174 -29.964 1.000 18.619  0 57  SER FFF C   1 ? 11 
ATOM   3003 O  O   . SER C 3 59  ? 7.369   -46.507 -30.186 1.000 19.207  0 57  SER FFF O   1 ? 11 
ATOM   3004 C  CB  . SER C 3 59  ? 9.840   -45.539 -28.764 1.000 20.719  0 57  SER FFF CB  1 ? 11 
ATOM   3005 O  OG  . SER C 3 59  ? 9.518   -46.275 -27.596 1.000 21.617  0 57  SER FFF OG  1 ? 11 
ATOM   3006 N  N   . THR C 3 60  ? 8.442   -48.464 -29.664 1.000 20.222  0 58  THR FFF N   1 ? 11 
ATOM   3007 C  CA  . THR C 3 60  ? 7.247   -49.274 -29.405 1.000 19.436  0 58  THR FFF CA  1 ? 11 
ATOM   3008 C  C   . THR C 3 60  ? 7.425   -49.953 -28.057 1.000 18.818  0 58  THR FFF C   1 ? 11 
ATOM   3009 O  O   . THR C 3 60  ? 8.571   -50.023 -27.501 1.000 19.519  0 58  THR FFF O   1 ? 11 
ATOM   3010 C  CB  . THR C 3 60  ? 6.972   -50.294 -30.515 1.000 20.324  0 58  THR FFF CB  1 ? 11 
ATOM   3011 O  OG1 . THR C 3 60  ? 8.101   -51.155 -30.664 1.000 21.039  0 58  THR FFF OG1 1 ? 11 
ATOM   3012 C  CG2 . THR C 3 60  ? 6.653   -49.599 -31.822 1.000 21.780  0 58  THR FFF CG2 1 ? 11 
ATOM   3013 N  N   . PHE C 3 61  ? 6.312   -50.414 -27.530 1.000 19.629  0 59  PHE FFF N   1 ? 11 
ATOM   3014 C  CA  . PHE C 3 61  ? 6.297   -51.016 -26.184 1.000 19.636  0 59  PHE FFF CA  1 ? 11 
ATOM   3015 C  C   . PHE C 3 61  ? 5.110   -51.950 -26.073 1.000 18.134  0 59  PHE FFF C   1 ? 11 
ATOM   3016 O  O   . PHE C 3 61  ? 4.074   -51.738 -26.727 1.000 19.930  0 59  PHE FFF O   1 ? 11 
ATOM   3017 C  CB  . PHE C 3 61  ? 6.321   -49.920 -25.104 1.000 19.823  0 59  PHE FFF CB  1 ? 11 
ATOM   3018 C  CG  . PHE C 3 61  ? 5.426   -48.738 -25.377 1.000 20.087  0 59  PHE FFF CG  1 ? 11 
ATOM   3019 C  CD1 . PHE C 3 61  ? 4.099   -48.733 -24.974 1.000 19.119  0 59  PHE FFF CD1 1 ? 11 
ATOM   3020 C  CD2 . PHE C 3 61  ? 5.900   -47.634 -26.072 1.000 19.795  0 59  PHE FFF CD2 1 ? 11 
ATOM   3021 C  CE1 . PHE C 3 61  ? 3.275   -47.645 -25.213 1.000 20.103  0 59  PHE FFF CE1 1 ? 11 
ATOM   3022 C  CE2 . PHE C 3 61  ? 5.065   -46.560 -26.350 1.000 20.902  0 59  PHE FFF CE2 1 ? 11 
ATOM   3023 C  CZ  . PHE C 3 61  ? 3.753   -46.572 -25.944 1.000 20.104  0 59  PHE FFF CZ  1 ? 11 
ATOM   3024 N  N   . TYR C 3 62  ? 5.244   -52.930 -25.179 1.000 19.967  0 60  TYR FFF N   1 ? 11 
ATOM   3025 C  CA  . TYR C 3 62  ? 4.383   -54.130 -25.171 1.000 20.748  0 60  TYR FFF CA  1 ? 11 
ATOM   3026 C  C   . TYR C 3 62  ? 4.073   -54.554 -23.738 1.000 20.353  0 60  TYR FFF C   1 ? 11 
ATOM   3027 O  O   . TYR C 3 62  ? 4.984   -54.581 -22.852 1.000 21.350  0 60  TYR FFF O   1 ? 11 
ATOM   3028 C  CB  . TYR C 3 62  ? 5.066   -55.289 -25.885 1.000 22.300  0 60  TYR FFF CB  1 ? 11 
ATOM   3029 C  CG  . TYR C 3 62  ? 5.432   -54.907 -27.282 1.000 20.830  0 60  TYR FFF CG  1 ? 11 
ATOM   3030 C  CD1 . TYR C 3 62  ? 4.495   -54.986 -28.297 1.000 21.209  0 60  TYR FFF CD1 1 ? 11 
ATOM   3031 C  CD2 . TYR C 3 62  ? 6.643   -54.307 -27.554 1.000 22.279  0 60  TYR FFF CD2 1 ? 11 
ATOM   3032 C  CE1 . TYR C 3 62  ? 4.807   -54.564 -29.570 1.000 20.604  0 60  TYR FFF CE1 1 ? 11 
ATOM   3033 C  CE2 . TYR C 3 62  ? 6.968   -53.875 -28.835 1.000 20.939  0 60  TYR FFF CE2 1 ? 11 
ATOM   3034 C  CZ  . TYR C 3 62  ? 6.031   -53.993 -29.848 1.000 20.874  0 60  TYR FFF CZ  1 ? 11 
ATOM   3035 O  OH  . TYR C 3 62  ? 6.291   -53.567 -31.146 1.000 22.179  0 60  TYR FFF OH  1 ? 11 
ATOM   3036 N  N   . SER C 3 63  ? 2.823   -54.955 -23.526 1.000 20.293  0 61  SER FFF N   1 ? 11 
ATOM   3037 C  CA  . SER C 3 63  ? 2.451   -55.685 -22.286 1.000 21.167  0 61  SER FFF CA  1 ? 11 
ATOM   3038 C  C   . SER C 3 63  ? 3.255   -56.982 -22.184 1.000 21.484  0 61  SER FFF C   1 ? 11 
ATOM   3039 O  O   . SER C 3 63  ? 3.661   -57.599 -23.220 1.000 22.525  0 61  SER FFF O   1 ? 11 
ATOM   3040 C  CB  . SER C 3 63  ? 0.973   -55.946 -22.195 1.000 23.852  0 61  SER FFF CB  1 ? 11 
ATOM   3041 O  OG  . SER C 3 63  ? 0.610   -57.030 -23.027 1.000 28.311  0 61  SER FFF OG  1 ? 11 
ATOM   3042 N  N   . ASP C 3 64  ? 3.454   -57.452 -20.960 1.000 22.170  0 62  ASP FFF N   1 ? 11 
ATOM   3043 C  CA  . ASP C 3 64  ? 4.154   -58.728 -20.712 1.000 24.302  0 62  ASP FFF CA  1 ? 11 
ATOM   3044 C  C   . ASP C 3 64  ? 3.415   -59.886 -21.394 1.000 23.559  0 62  ASP FFF C   1 ? 11 
ATOM   3045 O  O   . ASP C 3 64  ? 4.081   -60.865 -21.746 1.000 26.197  0 62  ASP FFF O   1 ? 11 
ATOM   3046 C  CB  . ASP C 3 64  ? 4.265   -58.995 -19.211 1.000 25.130  0 62  ASP FFF CB  1 ? 11 
ATOM   3047 C  CG  . ASP C 3 64  ? 5.240   -58.100 -18.463 1.000 25.551  0 62  ASP FFF CG  1 ? 11 
ATOM   3048 O  OD1 . ASP C 3 64  ? 5.933   -57.284 -19.098 1.000 24.287  0 62  ASP FFF OD1 1 ? 11 
ATOM   3049 O  OD2 . ASP C 3 64  ? 5.305   -58.249 -17.222 1.000 25.122  0 62  ASP FFF OD2 1 ? 11 
ATOM   3050 N  N   . SER C 3 65  ? 2.094   -59.790 -21.560 1.000 24.143  0 63  SER FFF N   1 ? 11 
ATOM   3051 C  CA  A SER C 3 65  ? 1.261   -60.890 -22.113 0.500 27.576  0 63  SER FFF CA  1 ? 11 
ATOM   3052 C  CA  B SER C 3 65  ? 1.261   -60.890 -22.118 0.500 26.938  0 63  SER FFF CA  1 ? 11 
ATOM   3053 C  C   . SER C 3 65  ? 1.539   -61.067 -23.609 1.000 26.515  0 63  SER FFF C   1 ? 11 
ATOM   3054 O  O   . SER C 3 65  ? 1.311   -62.181 -24.101 1.000 28.812  0 63  SER FFF O   1 ? 11 
ATOM   3055 C  CB  A SER C 3 65  ? -0.205  -60.653 -21.857 0.500 32.574  0 63  SER FFF CB  1 ? 11 
ATOM   3056 C  CB  B SER C 3 65  ? -0.204  -60.658 -21.901 0.500 27.353  0 63  SER FFF CB  1 ? 11 
ATOM   3057 O  OG  A SER C 3 65  ? -0.630  -59.415 -22.416 0.500 33.061  0 63  SER FFF OG  1 ? 11 
ATOM   3058 O  OG  B SER C 3 65  ? -0.512  -60.656 -20.520 0.500 28.132  0 63  SER FFF OG  1 ? 11 
ATOM   3059 N  N   . VAL C 3 66  ? 1.998   -60.014 -24.292 1.000 24.805  0 64  VAL FFF N   1 ? 11 
ATOM   3060 C  CA  . VAL C 3 66  ? 2.104   -60.109 -25.786 1.000 23.916  0 64  VAL FFF CA  1 ? 11 
ATOM   3061 C  C   . VAL C 3 66  ? 3.540   -59.876 -26.259 1.000 24.293  0 64  VAL FFF C   1 ? 11 
ATOM   3062 O  O   . VAL C 3 66  ? 3.784   -60.067 -27.469 1.000 24.777  0 64  VAL FFF O   1 ? 11 
ATOM   3063 C  CB  . VAL C 3 66  ? 1.117   -59.167 -26.501 1.000 23.315  0 64  VAL FFF CB  1 ? 11 
ATOM   3064 C  CG1 . VAL C 3 66  ? -0.312  -59.372 -26.014 1.000 25.144  0 64  VAL FFF CG1 1 ? 11 
ATOM   3065 C  CG2 . VAL C 3 66  ? 1.514   -57.713 -26.397 1.000 21.902  0 64  VAL FFF CG2 1 ? 11 
ATOM   3066 N  N   . LYS C 3 67  ? 4.473   -59.464 -25.399 1.000 25.567  0 65  LYS FFF N   1 ? 11 
ATOM   3067 C  CA  . LYS C 3 67  ? 5.838   -59.121 -25.885 1.000 24.793  0 65  LYS FFF CA  1 ? 11 
ATOM   3068 C  C   . LYS C 3 67  ? 6.460   -60.359 -26.546 1.000 25.812  0 65  LYS FFF C   1 ? 11 
ATOM   3069 O  O   . LYS C 3 67  ? 6.316   -61.448 -26.021 1.000 28.277  0 65  LYS FFF O   1 ? 11 
ATOM   3070 C  CB  . LYS C 3 67  ? 6.766   -58.560 -24.810 1.000 27.942  0 65  LYS FFF CB  1 ? 11 
ATOM   3071 C  CG  . LYS C 3 67  ? 7.940   -57.805 -25.418 1.000 28.279  0 65  LYS FFF CG  1 ? 11 
ATOM   3072 C  CD  . LYS C 3 67  ? 8.820   -57.155 -24.437 1.000 29.034  0 65  LYS FFF CD  1 ? 11 
ATOM   3073 C  CE  . LYS C 3 67  ? 9.844   -56.197 -25.002 1.000 30.940  0 65  LYS FFF CE  1 ? 11 
ATOM   3074 N  NZ  . LYS C 3 67  ? 10.724  -55.713 -23.901 1.000 36.641  0 65  LYS FFF NZ  1 ? 11 
ATOM   3075 N  N   . GLY C 3 68  ? 7.107   -60.185 -27.694 1.000 28.802  0 66  GLY FFF N   1 ? 11 
ATOM   3076 C  CA  . GLY C 3 68  ? 7.712   -61.282 -28.471 1.000 30.711  0 66  GLY FFF CA  1 ? 11 
ATOM   3077 C  C   . GLY C 3 68  ? 6.722   -61.962 -29.406 1.000 28.433  0 66  GLY FFF C   1 ? 11 
ATOM   3078 O  O   . GLY C 3 68  ? 7.174   -62.773 -30.218 1.000 32.667  0 66  GLY FFF O   1 ? 11 
ATOM   3079 N  N   . ARG C 3 69  ? 5.418   -61.689 -29.299 1.000 26.370  0 67  ARG FFF N   1 ? 11 
ATOM   3080 C  CA  . ARG C 3 69  ? 4.392   -62.281 -30.208 1.000 27.411  0 67  ARG FFF CA  1 ? 11 
ATOM   3081 C  C   . ARG C 3 69  ? 3.744   -61.192 -31.046 1.000 26.084  0 67  ARG FFF C   1 ? 11 
ATOM   3082 O  O   . ARG C 3 69  ? 3.415   -61.473 -32.226 1.000 27.760  0 67  ARG FFF O   1 ? 11 
ATOM   3083 C  CB  . ARG C 3 69  ? 3.299   -63.024 -29.430 1.000 27.439  0 67  ARG FFF CB  1 ? 11 
ATOM   3084 C  CG  . ARG C 3 69  ? 3.845   -64.151 -28.565 1.000 30.248  0 67  ARG FFF CG  1 ? 11 
ATOM   3085 C  CD  . ARG C 3 69  ? 2.755   -65.021 -27.972 1.000 30.292  0 67  ARG FFF CD  1 ? 11 
ATOM   3086 N  NE  . ARG C 3 69  ? 1.894   -64.247 -27.094 1.000 28.515  0 67  ARG FFF NE  1 ? 11 
ATOM   3087 C  CZ  . ARG C 3 69  ? 0.592   -64.030 -27.276 1.000 28.185  0 67  ARG FFF CZ  1 ? 11 
ATOM   3088 N  NH1 . ARG C 3 69  ? -0.036  -64.526 -28.327 1.000 29.916  0 67  ARG FFF NH1 1 ? 11 
ATOM   3089 N  NH2 . ARG C 3 69  ? -0.089  -63.323 -26.392 1.000 28.706  0 67  ARG FFF NH2 1 ? 11 
ATOM   3090 N  N   . PHE C 3 70  ? 3.470   -60.028 -30.466 1.000 24.075  0 68  PHE FFF N   1 ? 11 
ATOM   3091 C  CA  . PHE C 3 70  ? 2.856   -58.911 -31.226 1.000 23.202  0 68  PHE FFF CA  1 ? 11 
ATOM   3092 C  C   . PHE C 3 70  ? 3.927   -57.869 -31.530 1.000 23.791  0 68  PHE FFF C   1 ? 11 
ATOM   3093 O  O   . PHE C 3 70  ? 4.860   -57.659 -30.731 1.000 23.946  0 68  PHE FFF O   1 ? 11 
ATOM   3094 C  CB  . PHE C 3 70  ? 1.695   -58.264 -30.460 1.000 22.241  0 68  PHE FFF CB  1 ? 11 
ATOM   3095 C  CG  . PHE C 3 70  ? 0.483   -59.111 -30.156 1.000 23.775  0 68  PHE FFF CG  1 ? 11 
ATOM   3096 C  CD1 . PHE C 3 70  ? 0.440   -60.473 -30.406 1.000 25.190  0 68  PHE FFF CD1 1 ? 11 
ATOM   3097 C  CD2 . PHE C 3 70  ? -0.635  -58.521 -29.578 1.000 23.144  0 68  PHE FFF CD2 1 ? 11 
ATOM   3098 C  CE1 . PHE C 3 70  ? -0.677  -61.223 -30.072 1.000 26.546  0 68  PHE FFF CE1 1 ? 11 
ATOM   3099 C  CE2 . PHE C 3 70  ? -1.756  -59.272 -29.260 1.000 24.091  0 68  PHE FFF CE2 1 ? 11 
ATOM   3100 C  CZ  . PHE C 3 70  ? -1.769  -60.624 -29.496 1.000 25.357  0 68  PHE FFF CZ  1 ? 11 
ATOM   3101 N  N   . THR C 3 71  ? 3.784   -57.181 -32.660 1.000 22.144  0 69  THR FFF N   1 ? 11 
ATOM   3102 C  CA  A THR C 3 71  ? 4.642   -56.029 -33.035 0.500 22.846  0 69  THR FFF CA  1 ? 11 
ATOM   3103 C  CA  B THR C 3 71  ? 4.634   -56.008 -32.983 0.500 21.642  0 69  THR FFF CA  1 ? 11 
ATOM   3104 C  C   . THR C 3 71  ? 3.731   -54.881 -33.476 1.000 20.888  0 69  THR FFF C   1 ? 11 
ATOM   3105 O  O   . THR C 3 71  ? 2.670   -55.179 -34.044 1.000 23.455  0 69  THR FFF O   1 ? 11 
ATOM   3106 C  CB  A THR C 3 71  ? 5.648   -56.416 -34.130 0.500 28.378  0 69  THR FFF CB  1 ? 11 
ATOM   3107 C  CB  B THR C 3 71  ? 5.745   -56.326 -33.994 0.500 23.166  0 69  THR FFF CB  1 ? 11 
ATOM   3108 O  OG1 A THR C 3 71  ? 6.347   -57.601 -33.737 0.500 29.127  0 69  THR FFF OG1 1 ? 11 
ATOM   3109 O  OG1 B THR C 3 71  ? 5.142   -56.593 -35.259 0.500 23.202  0 69  THR FFF OG1 1 ? 11 
ATOM   3110 C  CG2 A THR C 3 71  ? 6.653   -55.320 -34.408 0.500 30.952  0 69  THR FFF CG2 1 ? 11 
ATOM   3111 C  CG2 B THR C 3 71  ? 6.627   -57.485 -33.578 0.500 25.818  0 69  THR FFF CG2 1 ? 11 
ATOM   3112 N  N   . VAL C 3 72  ? 4.139   -53.651 -33.186 1.000 20.831  0 70  VAL FFF N   1 ? 11 
ATOM   3113 C  CA  . VAL C 3 72  ? 3.471   -52.421 -33.662 1.000 19.413  0 70  VAL FFF CA  1 ? 11 
ATOM   3114 C  C   . VAL C 3 72  ? 4.381   -51.803 -34.715 1.000 19.240  0 70  VAL FFF C   1 ? 11 
ATOM   3115 O  O   . VAL C 3 72  ? 5.587   -51.728 -34.508 1.000 20.470  0 70  VAL FFF O   1 ? 11 
ATOM   3116 C  CB  . VAL C 3 72  ? 3.172   -51.445 -32.525 1.000 20.165  0 70  VAL FFF CB  1 ? 11 
ATOM   3117 C  CG1 . VAL C 3 72  ? 2.575   -50.151 -33.046 1.000 21.479  0 70  VAL FFF CG1 1 ? 11 
ATOM   3118 C  CG2 . VAL C 3 72  ? 2.241   -52.108 -31.526 1.000 23.301  0 70  VAL FFF CG2 1 ? 11 
ATOM   3119 N  N   . SER C 3 73  ? 3.800   -51.390 -35.829 1.000 19.759  0 71  SER FFF N   1 ? 11 
ATOM   3120 C  CA  . SER C 3 73  ? 4.564   -50.653 -36.853 1.000 21.314  0 71  SER FFF CA  1 ? 11 
ATOM   3121 C  C   . SER C 3 73  ? 3.710   -49.488 -37.339 1.000 19.165  0 71  SER FFF C   1 ? 11 
ATOM   3122 O  O   . SER C 3 73  ? 2.490   -49.455 -37.077 1.000 20.346  0 71  SER FFF O   1 ? 11 
ATOM   3123 C  CB  . SER C 3 73  ? 5.008   -51.552 -37.980 1.000 21.719  0 71  SER FFF CB  1 ? 11 
ATOM   3124 O  OG  . SER C 3 73  ? 3.909   -51.886 -38.816 1.000 22.982  0 71  SER FFF OG  1 ? 11 
ATOM   3125 N  N   . ARG C 3 74  ? 4.344   -48.574 -38.061 1.000 21.770  0 72  ARG FFF N   1 ? 11 
ATOM   3126 C  CA  . ARG C 3 74  ? 3.651   -47.402 -38.626 1.000 20.204  0 72  ARG FFF CA  1 ? 11 
ATOM   3127 C  C   . ARG C 3 74  ? 4.196   -47.190 -40.037 1.000 20.452  0 72  ARG FFF C   1 ? 11 
ATOM   3128 O  O   . ARG C 3 74  ? 5.411   -47.386 -40.263 1.000 21.866  0 72  ARG FFF O   1 ? 11 
ATOM   3129 C  CB  . ARG C 3 74  ? 3.857   -46.193 -37.713 1.000 20.951  0 72  ARG FFF CB  1 ? 11 
ATOM   3130 C  CG  . ARG C 3 74  ? 3.115   -44.939 -38.148 1.000 21.329  0 72  ARG FFF CG  1 ? 11 
ATOM   3131 C  CD  . ARG C 3 74  ? 3.353   -43.817 -37.146 1.000 21.752  0 72  ARG FFF CD  1 ? 11 
ATOM   3132 N  NE  . ARG C 3 74  ? 4.638   -43.174 -37.332 1.000 21.778  0 72  ARG FFF NE  1 ? 11 
ATOM   3133 C  CZ  . ARG C 3 74  ? 5.069   -42.123 -36.633 1.000 22.256  0 72  ARG FFF CZ  1 ? 11 
ATOM   3134 N  NH1 . ARG C 3 74  ? 4.337   -41.617 -35.639 1.000 26.557  0 72  ARG FFF NH1 1 ? 11 
ATOM   3135 N  NH2 . ARG C 3 74  ? 6.240   -41.593 -36.921 1.000 25.062  0 72  ARG FFF NH2 1 ? 11 
ATOM   3136 N  N   . ASN C 3 75  ? 3.310   -46.841 -40.958 1.000 18.058  0 73  ASN FFF N   1 ? 11 
ATOM   3137 C  CA  . ASN C 3 75  ? 3.721   -46.676 -42.372 1.000 20.785  0 73  ASN FFF CA  1 ? 11 
ATOM   3138 C  C   . ASN C 3 75  ? 4.608   -45.434 -42.532 1.000 21.463  0 73  ASN FFF C   1 ? 11 
ATOM   3139 O  O   . ASN C 3 75  ? 4.724   -44.599 -41.610 1.000 21.620  0 73  ASN FFF O   1 ? 11 
ATOM   3140 C  CB  . ASN C 3 75  ? 2.506   -46.679 -43.289 1.000 21.446  0 73  ASN FFF CB  1 ? 11 
ATOM   3141 C  CG  . ASN C 3 75  ? 1.578   -45.498 -43.137 1.000 21.574  0 73  ASN FFF CG  1 ? 11 
ATOM   3142 O  OD1 . ASN C 3 75  ? 1.678   -44.708 -42.194 1.000 21.015  0 73  ASN FFF OD1 1 ? 11 
ATOM   3143 N  ND2 . ASN C 3 75  ? 0.645   -45.387 -44.065 1.000 22.796  0 73  ASN FFF ND2 1 ? 11 
ATOM   3144 N  N   . ASN C 3 76  ? 5.214   -45.298 -43.704 1.000 23.192  0 74  ASN FFF N   1 ? 11 
ATOM   3145 C  CA  . ASN C 3 76  ? 6.124   -44.168 -44.018 1.000 23.931  0 74  ASN FFF CA  1 ? 11 
ATOM   3146 C  C   . ASN C 3 76  ? 5.363   -42.849 -43.946 1.000 21.877  0 74  ASN FFF C   1 ? 11 
ATOM   3147 O  O   . ASN C 3 76  ? 5.987   -41.834 -43.547 1.000 25.231  0 74  ASN FFF O   1 ? 11 
ATOM   3148 C  CB  . ASN C 3 76  ? 6.802   -44.346 -45.372 1.000 27.341  0 74  ASN FFF CB  1 ? 11 
ATOM   3149 C  CG  . ASN C 3 76  ? 7.833   -45.452 -45.338 1.000 29.427  0 74  ASN FFF CG  1 ? 11 
ATOM   3150 O  OD1 . ASN C 3 76  ? 8.240   -45.908 -44.277 1.000 29.735  0 74  ASN FFF OD1 1 ? 11 
ATOM   3151 N  ND2 . ASN C 3 76  ? 8.245   -45.918 -46.503 1.000 31.529  0 74  ASN FFF ND2 1 ? 11 
ATOM   3152 N  N   . ALA C 3 77  ? 4.095   -42.849 -44.354 1.000 21.805  0 75  ALA FFF N   1 ? 11 
ATOM   3153 C  CA  . ALA C 3 77  ? 3.214   -41.658 -44.352 1.000 22.346  0 75  ALA FFF CA  1 ? 11 
ATOM   3154 C  C   . ALA C 3 77  ? 2.935   -41.187 -42.914 1.000 22.368  0 75  ALA FFF C   1 ? 11 
ATOM   3155 O  O   . ALA C 3 77  ? 2.538   -40.030 -42.768 1.000 23.493  0 75  ALA FFF O   1 ? 11 
ATOM   3156 C  CB  . ALA C 3 77  ? 1.926   -41.957 -45.089 1.000 22.756  0 75  ALA FFF CB  1 ? 11 
ATOM   3157 N  N   . LYS C 3 78  ? 3.128   -42.067 -41.918 1.000 21.375  0 76  LYS FFF N   1 ? 11 
ATOM   3158 C  CA  . LYS C 3 78  ? 2.895   -41.824 -40.468 1.000 20.495  0 76  LYS FFF CA  1 ? 11 
ATOM   3159 C  C   . LYS C 3 78  ? 1.397   -41.675 -40.180 1.000 20.021  0 76  LYS FFF C   1 ? 11 
ATOM   3160 O  O   . LYS C 3 78  ? 1.076   -41.057 -39.165 1.000 22.603  0 76  LYS FFF O   1 ? 11 
ATOM   3161 C  CB  . LYS C 3 78  ? 3.698   -40.608 -39.990 1.000 21.384  0 76  LYS FFF CB  1 ? 11 
ATOM   3162 C  CG  . LYS C 3 78  ? 5.184   -40.636 -40.329 1.000 23.067  0 76  LYS FFF CG  1 ? 11 
ATOM   3163 C  CD  . LYS C 3 78  ? 5.950   -39.420 -39.853 1.000 26.881  0 76  LYS FFF CD  1 ? 11 
ATOM   3164 C  CE  . LYS C 3 78  ? 7.399   -39.419 -40.291 1.000 34.850  0 76  LYS FFF CE  1 ? 11 
ATOM   3165 N  NZ  . LYS C 3 78  ? 8.182   -38.382 -39.584 1.000 45.047  0 76  LYS FFF NZ  1 ? 11 
ATOM   3166 N  N   . ASP C 3 79  ? 0.505   -42.161 -41.053 1.000 20.807  0 77  ASP FFF N   1 ? 11 
ATOM   3167 C  CA  . ASP C 3 79  ? -0.959  -41.977 -40.863 1.000 20.722  0 77  ASP FFF CA  1 ? 11 
ATOM   3168 C  C   . ASP C 3 79  ? -1.654  -43.298 -40.524 1.000 19.619  0 77  ASP FFF C   1 ? 11 
ATOM   3169 O  O   . ASP C 3 79  ? -2.867  -43.284 -40.263 1.000 20.529  0 77  ASP FFF O   1 ? 11 
ATOM   3170 C  CB  . ASP C 3 79  ? -1.597  -41.290 -42.059 1.000 20.868  0 77  ASP FFF CB  1 ? 11 
ATOM   3171 C  CG  . ASP C 3 79  ? -1.465  -42.064 -43.356 1.000 21.590  0 77  ASP FFF CG  1 ? 11 
ATOM   3172 O  OD1 . ASP C 3 79  ? -1.157  -43.282 -43.319 1.000 21.095  0 77  ASP FFF OD1 1 ? 11 
ATOM   3173 O  OD2 . ASP C 3 79  ? -1.653  -41.417 -44.404 1.000 21.342  0 77  ASP FFF OD2 1 ? 11 
ATOM   3174 N  N   . THR C 3 80  ? -0.926  -44.407 -40.518 1.000 19.704  0 78  THR FFF N   1 ? 11 
ATOM   3175 C  CA  . THR C 3 80  ? -1.526  -45.725 -40.249 1.000 18.837  0 78  THR FFF CA  1 ? 11 
ATOM   3176 C  C   . THR C 3 80  ? -0.605  -46.516 -39.329 1.000 19.283  0 78  THR FFF C   1 ? 11 
ATOM   3177 O  O   . THR C 3 80  ? 0.576   -46.646 -39.623 1.000 19.848  0 78  THR FFF O   1 ? 11 
ATOM   3178 C  CB  . THR C 3 80  ? -1.838  -46.481 -41.542 1.000 19.334  0 78  THR FFF CB  1 ? 11 
ATOM   3179 O  OG1 . THR C 3 80  ? -2.539  -45.614 -42.449 1.000 21.047  0 78  THR FFF OG1 1 ? 11 
ATOM   3180 C  CG2 . THR C 3 80  ? -2.641  -47.727 -41.263 1.000 20.147  0 78  THR FFF CG2 1 ? 11 
ATOM   3181 N  N   . VAL C 3 81  ? -1.174  -47.022 -38.243 1.000 20.166  0 79  VAL FFF N   1 ? 11 
ATOM   3182 C  CA  . VAL C 3 81  ? -0.443  -47.852 -37.261 1.000 19.503  0 79  VAL FFF CA  1 ? 11 
ATOM   3183 C  C   . VAL C 3 81  ? -1.068  -49.233 -37.297 1.000 18.798  0 79  VAL FFF C   1 ? 11 
ATOM   3184 O  O   . VAL C 3 81  ? -2.303  -49.337 -37.356 1.000 20.610  0 79  VAL FFF O   1 ? 11 
ATOM   3185 C  CB  . VAL C 3 81  ? -0.482  -47.215 -35.858 1.000 21.011  0 79  VAL FFF CB  1 ? 11 
ATOM   3186 C  CG1 . VAL C 3 81  ? 0.136   -48.134 -34.810 1.000 22.583  0 79  VAL FFF CG1 1 ? 11 
ATOM   3187 C  CG2 . VAL C 3 81  ? 0.205   -45.862 -35.853 1.000 20.447  0 79  VAL FFF CG2 1 ? 11 
ATOM   3188 N  N   . TYR C 3 82  ? -0.215  -50.241 -37.239 1.000 19.745  0 80  TYR FFF N   1 ? 11 
ATOM   3189 C  CA  . TYR C 3 82  ? -0.604  -51.658 -37.336 1.000 20.545  0 80  TYR FFF CA  1 ? 11 
ATOM   3190 C  C   . TYR C 3 82  ? -0.276  -52.388 -36.045 1.000 20.267  0 80  TYR FFF C   1 ? 11 
ATOM   3191 O  O   . TYR C 3 82  ? 0.784   -52.122 -35.466 1.000 22.885  0 80  TYR FFF O   1 ? 11 
ATOM   3192 C  CB  . TYR C 3 82  ? 0.158   -52.326 -38.473 1.000 22.008  0 80  TYR FFF CB  1 ? 11 
ATOM   3193 C  CG  . TYR C 3 82  ? -0.101  -51.673 -39.809 1.000 21.482  0 80  TYR FFF CG  1 ? 11 
ATOM   3194 C  CD1 . TYR C 3 82  ? -1.319  -51.832 -40.458 1.000 20.788  0 80  TYR FFF CD1 1 ? 11 
ATOM   3195 C  CD2 . TYR C 3 82  ? 0.879   -50.922 -40.434 1.000 23.120  0 80  TYR FFF CD2 1 ? 11 
ATOM   3196 C  CE1 . TYR C 3 82  ? -1.548  -51.265 -41.700 1.000 22.696  0 80  TYR FFF CE1 1 ? 11 
ATOM   3197 C  CE2 . TYR C 3 82  ? 0.649   -50.335 -41.672 1.000 23.576  0 80  TYR FFF CE2 1 ? 11 
ATOM   3198 C  CZ  . TYR C 3 82  ? -0.568  -50.497 -42.298 1.000 21.906  0 80  TYR FFF CZ  1 ? 11 
ATOM   3199 O  OH  . TYR C 3 82  ? -0.769  -49.957 -43.552 1.000 23.421  0 80  TYR FFF OH  1 ? 11 
ATOM   3200 N  N   . LEU C 3 83  ? -1.152  -53.304 -35.660 1.000 20.219  0 81  LEU FFF N   1 ? 11 
ATOM   3201 C  CA  . LEU C 3 83  ? -0.810  -54.330 -34.649 1.000 19.753  0 81  LEU FFF CA  1 ? 11 
ATOM   3202 C  C   . LEU C 3 83  ? -0.703  -55.658 -35.373 1.000 21.555  0 81  LEU FFF C   1 ? 11 
ATOM   3203 O  O   . LEU C 3 83  ? -1.741  -56.165 -35.860 1.000 22.105  0 81  LEU FFF O   1 ? 11 
ATOM   3204 C  CB  . LEU C 3 83  ? -1.873  -54.364 -33.554 1.000 20.152  0 81  LEU FFF CB  1 ? 11 
ATOM   3205 C  CG  . LEU C 3 83  ? -1.558  -55.319 -32.403 1.000 20.999  0 81  LEU FFF CG  1 ? 11 
ATOM   3206 C  CD1 . LEU C 3 83  ? -0.333  -54.860 -31.603 1.000 22.170  0 81  LEU FFF CD1 1 ? 11 
ATOM   3207 C  CD2 . LEU C 3 83  ? -2.778  -55.420 -31.522 1.000 22.861  0 81  LEU FFF CD2 1 ? 11 
ATOM   3208 N  N   . HIS C 3 84  ? 0.522   -56.147 -35.494 1.000 21.501  0 82  HIS FFF N   1 ? 11 
ATOM   3209 C  CA  . HIS C 3 84  ? 0.841   -57.458 -36.102 1.000 22.107  0 82  HIS FFF CA  1 ? 11 
ATOM   3210 C  C   . HIS C 3 84  ? 0.721   -58.507 -34.992 1.000 23.994  0 82  HIS FFF C   1 ? 11 
ATOM   3211 O  O   . HIS C 3 84  ? 1.612   -58.529 -34.097 1.000 25.402  0 82  HIS FFF O   1 ? 11 
ATOM   3212 C  CB  . HIS C 3 84  ? 2.236   -57.412 -36.725 1.000 22.910  0 82  HIS FFF CB  1 ? 11 
ATOM   3213 C  CG  . HIS C 3 84  ? 2.436   -56.303 -37.712 1.000 25.352  0 82  HIS FFF CG  1 ? 11 
ATOM   3214 N  ND1 . HIS C 3 84  ? 1.985   -56.387 -39.025 1.000 26.356  0 82  HIS FFF ND1 1 ? 11 
ATOM   3215 C  CD2 . HIS C 3 84  ? 3.038   -55.097 -37.589 1.000 26.916  0 82  HIS FFF CD2 1 ? 11 
ATOM   3216 C  CE1 . HIS C 3 84  ? 2.323   -55.280 -39.673 1.000 27.904  0 82  HIS FFF CE1 1 ? 11 
ATOM   3217 N  NE2 . HIS C 3 84  ? 2.953   -54.455 -38.802 1.000 25.504  0 82  HIS FFF NE2 1 ? 11 
ATOM   3218 N  N   . MET C 3 85  ? -0.353  -59.292 -35.008 1.000 24.314  0 83  MET FFF N   1 ? 11 
ATOM   3219 C  CA  . MET C 3 85  ? -0.635  -60.299 -33.952 1.000 25.609  0 83  MET FFF CA  1 ? 11 
ATOM   3220 C  C   . MET C 3 85  ? -0.149  -61.662 -34.449 1.000 27.318  0 83  MET FFF C   1 ? 11 
ATOM   3221 O  O   . MET C 3 85  ? -0.721  -62.179 -35.431 1.000 30.476  0 83  MET FFF O   1 ? 11 
ATOM   3222 C  CB  . MET C 3 85  ? -2.126  -60.328 -33.601 1.000 27.439  0 83  MET FFF CB  1 ? 11 
ATOM   3223 C  CG  . MET C 3 85  ? -2.658  -59.012 -33.005 1.000 27.301  0 83  MET FFF CG  1 ? 11 
ATOM   3224 S  SD  . MET C 3 85  ? -4.483  -58.906 -33.078 1.000 35.750  0 83  MET FFF SD  1 ? 11 
ATOM   3225 C  CE  . MET C 3 85  ? -4.886  -59.686 -31.531 1.000 38.178  0 83  MET FFF CE  1 ? 11 
ATOM   3226 N  N   . ASN C 3 86  ? 0.912   -62.207 -33.849 1.000 29.999  0 84  ASN FFF N   1 ? 11 
ATOM   3227 C  CA  . ASN C 3 86  ? 1.437   -63.551 -34.217 1.000 30.508  0 84  ASN FFF CA  1 ? 11 
ATOM   3228 C  C   . ASN C 3 86  ? 1.293   -64.520 -33.043 1.000 29.693  0 84  ASN FFF C   1 ? 11 
ATOM   3229 O  O   . ASN C 3 86  ? 1.070   -64.063 -31.893 1.000 32.428  0 84  ASN FFF O   1 ? 11 
ATOM   3230 C  CB  . ASN C 3 86  ? 2.889   -63.502 -34.689 1.000 32.186  0 84  ASN FFF CB  1 ? 11 
ATOM   3231 C  CG  . ASN C 3 86  ? 3.080   -62.465 -35.770 1.000 35.471  0 84  ASN FFF CG  1 ? 11 
ATOM   3232 O  OD1 . ASN C 3 86  ? 2.536   -62.597 -36.869 1.000 36.921  0 84  ASN FFF OD1 1 ? 11 
ATOM   3233 N  ND2 . ASN C 3 86  ? 3.820   -61.417 -35.450 1.000 39.067  0 84  ASN FFF ND2 1 ? 11 
ATOM   3234 N  N   . SER C 3 87  ? 1.417   -65.810 -33.338 1.000 31.090  0 85  SER FFF N   1 ? 11 
ATOM   3235 C  CA  . SER C 3 87  ? 1.363   -66.910 -32.345 1.000 32.237  0 85  SER FFF CA  1 ? 11 
ATOM   3236 C  C   . SER C 3 87  ? 0.146   -66.704 -31.439 1.000 32.775  0 85  SER FFF C   1 ? 11 
ATOM   3237 O  O   . SER C 3 87  ? 0.308   -66.720 -30.189 1.000 34.583  0 85  SER FFF O   1 ? 11 
ATOM   3238 C  CB  . SER C 3 87  ? 2.633   -66.940 -31.537 1.000 35.310  0 85  SER FFF CB  1 ? 11 
ATOM   3239 O  OG  . SER C 3 87  ? 3.748   -67.100 -32.397 1.000 38.045  0 85  SER FFF OG  1 ? 11 
ATOM   3240 N  N   . LEU C 3 88  ? -1.008  -66.455 -32.043 1.000 32.083  0 86  LEU FFF N   1 ? 11 
ATOM   3241 C  CA  . LEU C 3 88  ? -2.250  -66.120 -31.306 1.000 31.565  0 86  LEU FFF CA  1 ? 11 
ATOM   3242 C  C   . LEU C 3 88  ? -2.692  -67.325 -30.467 1.000 33.055  0 86  LEU FFF C   1 ? 11 
ATOM   3243 O  O   . LEU C 3 88  ? -2.513  -68.489 -30.907 1.000 34.222  0 86  LEU FFF O   1 ? 11 
ATOM   3244 C  CB  . LEU C 3 88  ? -3.321  -65.669 -32.303 1.000 31.005  0 86  LEU FFF CB  1 ? 11 
ATOM   3245 C  CG  . LEU C 3 88  ? -3.204  -64.205 -32.703 1.000 28.391  0 86  LEU FFF CG  1 ? 11 
ATOM   3246 C  CD1 . LEU C 3 88  ? -4.046  -63.894 -33.910 1.000 32.657  0 86  LEU FFF CD1 1 ? 11 
ATOM   3247 C  CD2 . LEU C 3 88  ? -3.600  -63.294 -31.535 1.000 29.106  0 86  LEU FFF CD2 1 ? 11 
ATOM   3248 N  N   . LYS C 3 89  ? -3.199  -67.036 -29.270 1.000 33.730  0 87  LYS FFF N   1 ? 11 
ATOM   3249 C  CA  . LYS C 3 89  ? -3.679  -68.037 -28.282 1.000 35.702  0 87  LYS FFF CA  1 ? 11 
ATOM   3250 C  C   . LYS C 3 89  ? -5.129  -67.708 -27.964 1.000 33.055  0 87  LYS FFF C   1 ? 11 
ATOM   3251 O  O   . LYS C 3 89  ? -5.514  -66.546 -28.083 1.000 32.866  0 87  LYS FFF O   1 ? 11 
ATOM   3252 C  CB  . LYS C 3 89  ? -2.844  -67.967 -26.998 1.000 39.949  0 87  LYS FFF CB  1 ? 11 
ATOM   3253 C  CG  . LYS C 3 89  ? -1.336  -67.966 -27.184 1.000 46.999  0 87  LYS FFF CG  1 ? 11 
ATOM   3254 C  CD  . LYS C 3 89  ? -0.569  -67.777 -25.890 1.000 53.841  0 87  LYS FFF CD  1 ? 11 
ATOM   3255 C  CE  . LYS C 3 89  ? 0.913   -68.071 -26.032 1.000 55.796  0 87  LYS FFF CE  1 ? 11 
ATOM   3256 N  NZ  . LYS C 3 89  ? 1.674   -67.606 -24.851 1.000 56.476  0 87  LYS FFF NZ  1 ? 11 
ATOM   3257 N  N   . PRO C 3 90  ? -5.958  -68.688 -27.527 1.000 36.335  0 88  PRO FFF N   1 ? 11 
ATOM   3258 C  CA  . PRO C 3 90  ? -7.347  -68.407 -27.152 1.000 37.235  0 88  PRO FFF CA  1 ? 11 
ATOM   3259 C  C   . PRO C 3 90  ? -7.474  -67.264 -26.130 1.000 36.147  0 88  PRO FFF C   1 ? 11 
ATOM   3260 O  O   . PRO C 3 90  ? -8.461  -66.563 -26.184 1.000 37.093  0 88  PRO FFF O   1 ? 11 
ATOM   3261 C  CB  . PRO C 3 90  ? -7.834  -69.755 -26.596 1.000 42.421  0 88  PRO FFF CB  1 ? 11 
ATOM   3262 C  CG  . PRO C 3 90  ? -6.999  -70.773 -27.358 1.000 41.031  0 88  PRO FFF CG  1 ? 11 
ATOM   3263 C  CD  . PRO C 3 90  ? -5.633  -70.121 -27.438 1.000 38.943  0 88  PRO FFF CD  1 ? 11 
ATOM   3264 N  N   . GLU C 3 91  ? -6.473  -67.092 -25.256 1.000 35.395  0 89  GLU FFF N   1 ? 11 
ATOM   3265 C  CA  A GLU C 3 91  ? -6.430  -66.051 -24.197 0.500 36.106  0 89  GLU FFF CA  1 ? 11 
ATOM   3266 C  CA  B GLU C 3 91  ? -6.475  -66.042 -24.195 0.500 35.330  0 89  GLU FFF CA  1 ? 11 
ATOM   3267 C  C   . GLU C 3 91  ? -6.349  -64.648 -24.826 1.000 33.327  0 89  GLU FFF C   1 ? 11 
ATOM   3268 O  O   . GLU C 3 91  ? -6.605  -63.660 -24.117 1.000 31.629  0 89  GLU FFF O   1 ? 11 
ATOM   3269 C  CB  A GLU C 3 91  ? -5.255  -66.369 -23.264 0.500 38.623  0 89  GLU FFF CB  1 ? 11 
ATOM   3270 C  CB  B GLU C 3 91  ? -5.394  -66.290 -23.130 0.500 37.921  0 89  GLU FFF CB  1 ? 11 
ATOM   3271 C  CG  A GLU C 3 91  ? -5.473  -67.609 -22.399 0.500 42.242  0 89  GLU FFF CG  1 ? 11 
ATOM   3272 C  CG  B GLU C 3 91  ? -3.955  -66.184 -23.622 0.500 40.210  0 89  GLU FFF CG  1 ? 11 
ATOM   3273 C  CD  A GLU C 3 91  ? -5.223  -69.004 -22.976 0.500 40.890  0 89  GLU FFF CD  1 ? 11 
ATOM   3274 C  CD  B GLU C 3 91  ? -2.895  -66.522 -22.583 0.500 44.814  0 89  GLU FFF CD  1 ? 11 
ATOM   3275 O  OE1 A GLU C 3 91  ? -4.666  -69.142 -24.087 0.500 40.888  0 89  GLU FFF OE1 1 ? 11 
ATOM   3276 O  OE1 B GLU C 3 91  ? -3.246  -66.620 -21.397 0.500 52.417  0 89  GLU FFF OE1 1 ? 11 
ATOM   3277 O  OE2 A GLU C 3 91  ? -5.564  -69.975 -22.268 0.500 49.402  0 89  GLU FFF OE2 1 ? 11 
ATOM   3278 O  OE2 B GLU C 3 91  ? -1.720  -66.702 -22.963 0.500 53.952  0 89  GLU FFF OE2 1 ? 11 
ATOM   3279 N  N   . ASP C 3 92  ? -5.995  -64.560 -26.111 1.000 30.229  0 90  ASP FFF N   1 ? 11 
ATOM   3280 C  CA  . ASP C 3 92  ? -5.938  -63.267 -26.849 1.000 28.547  0 90  ASP FFF CA  1 ? 11 
ATOM   3281 C  C   . ASP C 3 92  ? -7.331  -62.875 -27.352 1.000 26.582  0 90  ASP FFF C   1 ? 11 
ATOM   3282 O  O   . ASP C 3 92  ? -7.453  -61.783 -27.897 1.000 27.606  0 90  ASP FFF O   1 ? 11 
ATOM   3283 C  CB  . ASP C 3 92  ? -4.953  -63.329 -28.017 1.000 29.048  0 90  ASP FFF CB  1 ? 11 
ATOM   3284 C  CG  . ASP C 3 92  ? -3.521  -63.588 -27.590 1.000 29.769  0 90  ASP FFF CG  1 ? 11 
ATOM   3285 O  OD1 . ASP C 3 92  ? -3.057  -62.917 -26.629 1.000 27.423  0 90  ASP FFF OD1 1 ? 11 
ATOM   3286 O  OD2 . ASP C 3 92  ? -2.881  -64.461 -28.216 1.000 31.268  0 90  ASP FFF OD2 1 ? 11 
ATOM   3287 N  N   . THR C 3 93  ? -8.335  -63.739 -27.229 1.000 27.997  0 91  THR FFF N   1 ? 11 
ATOM   3288 C  CA  . THR C 3 93  ? -9.720  -63.426 -27.665 1.000 29.830  0 91  THR FFF CA  1 ? 11 
ATOM   3289 C  C   . THR C 3 93  ? -10.217 -62.202 -26.890 1.000 28.544  0 91  THR FFF C   1 ? 11 
ATOM   3290 O  O   . THR C 3 93  ? -10.238 -62.236 -25.647 1.000 30.050  0 91  THR FFF O   1 ? 11 
ATOM   3291 C  CB  . THR C 3 93  ? -10.663 -64.617 -27.486 1.000 31.425  0 91  THR FFF CB  1 ? 11 
ATOM   3292 O  OG1 . THR C 3 93  ? -10.174 -65.654 -28.340 1.000 30.541  0 91  THR FFF OG1 1 ? 11 
ATOM   3293 C  CG2 . THR C 3 93  ? -12.107 -64.279 -27.802 1.000 32.251  0 91  THR FFF CG2 1 ? 11 
ATOM   3294 N  N   . ALA C 3 94  ? -10.663 -61.180 -27.601 1.000 27.244  0 92  ALA FFF N   1 ? 11 
ATOM   3295 C  CA  . ALA C 3 94  ? -11.107 -59.908 -26.994 1.000 26.823  0 92  ALA FFF CA  1 ? 11 
ATOM   3296 C  C   . ALA C 3 94  ? -11.558 -58.934 -28.074 1.000 25.775  0 92  ALA FFF C   1 ? 11 
ATOM   3297 O  O   . ALA C 3 94  ? -11.273 -59.165 -29.271 1.000 24.773  0 92  ALA FFF O   1 ? 11 
ATOM   3298 C  CB  . ALA C 3 94  ? -9.994  -59.276 -26.204 1.000 25.944  0 92  ALA FFF CB  1 ? 11 
ATOM   3299 N  N   . VAL C 3 95  ? -12.188 -57.850 -27.640 1.000 24.282  0 93  VAL FFF N   1 ? 11 
ATOM   3300 C  CA  . VAL C 3 95  ? -12.404 -56.668 -28.516 1.000 24.174  0 93  VAL FFF CA  1 ? 11 
ATOM   3301 C  C   . VAL C 3 95  ? -11.162 -55.780 -28.399 1.000 23.495  0 93  VAL FFF C   1 ? 11 
ATOM   3302 O  O   . VAL C 3 95  ? -10.772 -55.427 -27.261 1.000 23.442  0 93  VAL FFF O   1 ? 11 
ATOM   3303 C  CB  . VAL C 3 95  ? -13.711 -55.938 -28.179 1.000 24.563  0 93  VAL FFF CB  1 ? 11 
ATOM   3304 C  CG1 . VAL C 3 95  ? -13.882 -54.697 -29.033 1.000 24.978  0 93  VAL FFF CG1 1 ? 11 
ATOM   3305 C  CG2 . VAL C 3 95  ? -14.910 -56.862 -28.314 1.000 27.201  0 93  VAL FFF CG2 1 ? 11 
ATOM   3306 N  N   . TYR C 3 96  ? -10.548 -55.434 -29.539 1.000 22.779  0 94  TYR FFF N   1 ? 11 
ATOM   3307 C  CA  . TYR C 3 96  ? -9.308  -54.625 -29.588 1.000 21.631  0 94  TYR FFF CA  1 ? 11 
ATOM   3308 C  C   . TYR C 3 96  ? -9.654  -53.207 -30.019 1.000 19.779  0 94  TYR FFF C   1 ? 11 
ATOM   3309 O  O   . TYR C 3 96  ? -10.525 -53.013 -30.855 1.000 23.045  0 94  TYR FFF O   1 ? 11 
ATOM   3310 C  CB  . TYR C 3 96  ? -8.271  -55.250 -30.520 1.000 21.313  0 94  TYR FFF CB  1 ? 11 
ATOM   3311 C  CG  . TYR C 3 96  ? -7.604  -56.472 -29.940 1.000 21.677  0 94  TYR FFF CG  1 ? 11 
ATOM   3312 C  CD1 . TYR C 3 96  ? -8.288  -57.669 -29.769 1.000 22.886  0 94  TYR FFF CD1 1 ? 11 
ATOM   3313 C  CD2 . TYR C 3 96  ? -6.279  -56.427 -29.540 1.000 21.324  0 94  TYR FFF CD2 1 ? 11 
ATOM   3314 C  CE1 . TYR C 3 96  ? -7.674  -58.781 -29.201 1.000 24.981  0 94  TYR FFF CE1 1 ? 11 
ATOM   3315 C  CE2 . TYR C 3 96  ? -5.646  -57.537 -29.010 1.000 23.014  0 94  TYR FFF CE2 1 ? 11 
ATOM   3316 C  CZ  . TYR C 3 96  ? -6.341  -58.720 -28.831 1.000 23.650  0 94  TYR FFF CZ  1 ? 11 
ATOM   3317 O  OH  . TYR C 3 96  ? -5.709  -59.805 -28.271 1.000 25.136  0 94  TYR FFF OH  1 ? 11 
ATOM   3318 N  N   . TYR C 3 97  ? -8.975  -52.248 -29.421 1.000 20.348  0 95  TYR FFF N   1 ? 11 
ATOM   3319 C  CA  . TYR C 3 97  ? -9.208  -50.804 -29.645 1.000 20.828  0 95  TYR FFF CA  1 ? 11 
ATOM   3320 C  C   . TYR C 3 97  ? -7.857  -50.138 -29.861 1.000 19.777  0 95  TYR FFF C   1 ? 11 
ATOM   3321 O  O   . TYR C 3 97  ? -6.896  -50.468 -29.162 1.000 21.099  0 95  TYR FFF O   1 ? 11 
ATOM   3322 C  CB  . TYR C 3 97  ? -9.854  -50.127 -28.426 1.000 20.888  0 95  TYR FFF CB  1 ? 11 
ATOM   3323 C  CG  . TYR C 3 97  ? -11.196 -50.660 -28.009 1.000 21.105  0 95  TYR FFF CG  1 ? 11 
ATOM   3324 C  CD1 . TYR C 3 97  ? -11.294 -51.743 -27.143 1.000 23.232  0 95  TYR FFF CD1 1 ? 11 
ATOM   3325 C  CD2 . TYR C 3 97  ? -12.376 -50.091 -28.472 1.000 23.379  0 95  TYR FFF CD2 1 ? 11 
ATOM   3326 C  CE1 . TYR C 3 97  ? -12.527 -52.250 -26.767 1.000 25.493  0 95  TYR FFF CE1 1 ? 11 
ATOM   3327 C  CE2 . TYR C 3 97  ? -13.616 -50.579 -28.093 1.000 22.811  0 95  TYR FFF CE2 1 ? 11 
ATOM   3328 C  CZ  . TYR C 3 97  ? -13.689 -51.656 -27.225 1.000 26.481  0 95  TYR FFF CZ  1 ? 11 
ATOM   3329 O  OH  . TYR C 3 97  ? -14.902 -52.148 -26.845 1.000 30.045  0 95  TYR FFF OH  1 ? 11 
ATOM   3330 N  N   . CYS C 3 98  ? -7.808  -49.149 -30.742 1.000 19.242  0 96  CYS FFF N   1 ? 11 
ATOM   3331 C  CA  . CYS C 3 98  ? -6.684  -48.184 -30.787 1.000 19.354  0 96  CYS FFF CA  1 ? 11 
ATOM   3332 C  C   . CYS C 3 98  ? -7.173  -46.868 -30.196 1.000 18.247  0 96  CYS FFF C   1 ? 11 
ATOM   3333 O  O   . CYS C 3 98  ? -8.400  -46.605 -30.149 1.000 19.481  0 96  CYS FFF O   1 ? 11 
ATOM   3334 C  CB  . CYS C 3 98  ? -6.111  -48.020 -32.192 1.000 21.204  0 96  CYS FFF CB  1 ? 11 
ATOM   3335 S  SG  . CYS C 3 98  ? -7.319  -47.431 -33.404 1.000 23.548  0 96  CYS FFF SG  1 ? 11 
ATOM   3336 N  N   . ALA C 3 99  ? -6.233  -46.069 -29.742 1.000 18.522  0 97  ALA FFF N   1 ? 11 
ATOM   3337 C  CA  . ALA C 3 99  ? -6.515  -44.785 -29.091 1.000 19.684  0 97  ALA FFF CA  1 ? 11 
ATOM   3338 C  C   . ALA C 3 99  ? -5.232  -43.975 -29.073 1.000 18.741  0 97  ALA FFF C   1 ? 11 
ATOM   3339 O  O   . ALA C 3 99  ? -4.170  -44.543 -29.350 1.000 18.561  0 97  ALA FFF O   1 ? 11 
ATOM   3340 C  CB  . ALA C 3 99  ? -7.012  -45.033 -27.677 1.000 20.344  0 97  ALA FFF CB  1 ? 11 
ATOM   3341 N  N   . ILE C 3 100 ? -5.334  -42.714 -28.666 1.000 18.840  0 98  ILE FFF N   1 ? 11 
ATOM   3342 C  CA  . ILE C 3 100 ? -4.159  -41.821 -28.553 1.000 18.836  0 98  ILE FFF CA  1 ? 11 
ATOM   3343 C  C   . ILE C 3 100 ? -4.162  -41.199 -27.165 1.000 19.101  0 98  ILE FFF C   1 ? 11 
ATOM   3344 O  O   . ILE C 3 100 ? -5.242  -41.108 -26.525 1.000 20.000  0 98  ILE FFF O   1 ? 11 
ATOM   3345 C  CB  . ILE C 3 100 ? -4.108  -40.753 -29.662 1.000 19.790  0 98  ILE FFF CB  1 ? 11 
ATOM   3346 C  CG1 . ILE C 3 100 ? -5.429  -40.001 -29.789 1.000 22.545  0 98  ILE FFF CG1 1 ? 11 
ATOM   3347 C  CG2 . ILE C 3 100 ? -3.662  -41.380 -30.993 1.000 21.068  0 98  ILE FFF CG2 1 ? 11 
ATOM   3348 C  CD1 . ILE C 3 100 ? -5.345  -38.756 -30.657 1.000 26.812  0 98  ILE FFF CD1 1 ? 11 
ATOM   3349 N  N   . THR C 3 101 ? -2.988  -40.766 -26.744 1.000 18.853  0 99  THR FFF N   1 ? 11 
ATOM   3350 C  CA  . THR C 3 101 ? -2.809  -40.070 -25.450 1.000 19.349  0 99  THR FFF CA  1 ? 11 
ATOM   3351 C  C   . THR C 3 101 ? -2.056  -38.757 -25.660 1.000 18.640  0 99  THR FFF C   1 ? 11 
ATOM   3352 O  O   . THR C 3 101 ? -1.119  -38.704 -26.474 1.000 20.755  0 99  THR FFF O   1 ? 11 
ATOM   3353 C  CB  . THR C 3 101 ? -2.110  -40.985 -24.433 1.000 19.016  0 99  THR FFF CB  1 ? 11 
ATOM   3354 O  OG1 . THR C 3 101 ? -2.117  -40.282 -23.190 1.000 19.095  0 99  THR FFF OG1 1 ? 11 
ATOM   3355 C  CG2 . THR C 3 101 ? -0.679  -41.308 -24.796 1.000 19.971  0 99  THR FFF CG2 1 ? 11 
ATOM   3356 N  N   . THR C 3 102 ? -2.373  -37.756 -24.849 1.000 21.010  0 100 THR FFF N   1 ? 11 
ATOM   3357 C  CA  . THR C 3 102 ? -1.586  -36.503 -24.729 1.000 22.061  0 100 THR FFF CA  1 ? 11 
ATOM   3358 C  C   . THR C 3 102 ? -0.651  -36.595 -23.516 1.000 20.457  0 100 THR FFF C   1 ? 11 
ATOM   3359 O  O   . THR C 3 102 ? 0.129   -35.655 -23.303 1.000 23.008  0 100 THR FFF O   1 ? 11 
ATOM   3360 C  CB  . THR C 3 102 ? -2.492  -35.274 -24.594 1.000 26.622  0 100 THR FFF CB  1 ? 11 
ATOM   3361 O  OG1 . THR C 3 102 ? -3.078  -35.295 -23.291 1.000 27.188  0 100 THR FFF OG1 1 ? 11 
ATOM   3362 C  CG2 . THR C 3 102 ? -3.603  -35.226 -25.614 1.000 32.154  0 100 THR FFF CG2 1 ? 11 
ATOM   3363 N  N   . ILE C 3 103 ? -0.745  -37.674 -22.742 1.000 21.057  0 101 ILE FFF N   1 ? 11 
ATOM   3364 C  CA  . ILE C 3 103 ? 0.008   -37.808 -21.459 1.000 20.610  0 101 ILE FFF CA  1 ? 11 
ATOM   3365 C  C   . ILE C 3 103 ? 1.318   -38.543 -21.691 1.000 19.098  0 101 ILE FFF C   1 ? 11 
ATOM   3366 O  O   . ILE C 3 103 ? 1.281   -39.732 -22.074 1.000 19.493  0 101 ILE FFF O   1 ? 11 
ATOM   3367 C  CB  . ILE C 3 103 ? -0.845  -38.527 -20.410 1.000 20.902  0 101 ILE FFF CB  1 ? 11 
ATOM   3368 C  CG1 . ILE C 3 103 ? -2.163  -37.774 -20.182 1.000 22.870  0 101 ILE FFF CG1 1 ? 11 
ATOM   3369 C  CG2 . ILE C 3 103 ? -0.044  -38.697 -19.114 1.000 22.731  0 101 ILE FFF CG2 1 ? 11 
ATOM   3370 C  CD1 . ILE C 3 103 ? -3.106  -38.466 -19.239 1.000 26.811  0 101 ILE FFF CD1 1 ? 11 
ATOM   3371 N  N   . VAL C 3 104 ? 2.427   -37.871 -21.423 1.000 19.210  0 102 VAL FFF N   1 ? 11 
ATOM   3372 C  CA  . VAL C 3 104 ? 3.778   -38.471 -21.564 1.000 19.337  0 102 VAL FFF CA  1 ? 11 
ATOM   3373 C  C   . VAL C 3 104 ? 4.164   -39.105 -20.222 1.000 19.604  0 102 VAL FFF C   1 ? 11 
ATOM   3374 O  O   . VAL C 3 104 ? 4.334   -38.365 -19.216 1.000 20.601  0 102 VAL FFF O   1 ? 11 
ATOM   3375 C  CB  . VAL C 3 104 ? 4.823   -37.440 -22.006 1.000 20.287  0 102 VAL FFF CB  1 ? 11 
ATOM   3376 C  CG1 . VAL C 3 104 ? 6.174   -38.097 -22.213 1.000 20.800  0 102 VAL FFF CG1 1 ? 11 
ATOM   3377 C  CG2 . VAL C 3 104 ? 4.361   -36.672 -23.239 1.000 21.356  0 102 VAL FFF CG2 1 ? 11 
ATOM   3378 N  N   . ARG C 3 105 ? 4.257   -40.420 -20.222 1.000 19.350  0 103 ARG FFF N   1 ? 11 
ATOM   3379 C  CA  . ARG C 3 105 ? 4.802   -41.240 -19.114 1.000 20.011  0 103 ARG FFF CA  1 ? 11 
ATOM   3380 C  C   . ARG C 3 105 ? 6.125   -41.848 -19.562 1.000 19.257  0 103 ARG FFF C   1 ? 11 
ATOM   3381 O  O   . ARG C 3 105 ? 6.132   -42.602 -20.569 1.000 20.096  0 103 ARG FFF O   1 ? 11 
ATOM   3382 C  CB  . ARG C 3 105 ? 3.760   -42.279 -18.697 1.000 19.826  0 103 ARG FFF CB  1 ? 11 
ATOM   3383 C  CG  . ARG C 3 105 ? 2.443   -41.679 -18.216 1.000 21.336  0 103 ARG FFF CG  1 ? 11 
ATOM   3384 C  CD  . ARG C 3 105 ? 1.541   -42.700 -17.527 1.000 20.967  0 103 ARG FFF CD  1 ? 11 
ATOM   3385 N  NE  . ARG C 3 105 ? 0.215   -42.199 -17.206 1.000 21.403  0 103 ARG FFF NE  1 ? 11 
ATOM   3386 C  CZ  . ARG C 3 105 ? -0.053  -41.300 -16.255 1.000 20.843  0 103 ARG FFF CZ  1 ? 11 
ATOM   3387 N  NH1 . ARG C 3 105 ? 0.910   -40.804 -15.491 1.000 21.741  0 103 ARG FFF NH1 1 ? 11 
ATOM   3388 N  NH2 . ARG C 3 105 ? -1.295  -40.901 -16.070 1.000 22.070  0 103 ARG FFF NH2 1 ? 11 
ATOM   3389 N  N   . ALA C 3 106 ? 7.208   -41.579 -18.837 1.000 18.600  0 104 ALA FFF N   1 ? 11 
ATOM   3390 C  CA  . ALA C 3 106 ? 8.560   -42.092 -19.159 1.000 19.354  0 104 ALA FFF CA  1 ? 11 
ATOM   3391 C  C   . ALA C 3 106 ? 8.534   -43.620 -19.107 1.000 18.753  0 104 ALA FFF C   1 ? 11 
ATOM   3392 O  O   . ALA C 3 106 ? 9.229   -44.301 -19.859 1.000 20.104  0 104 ALA FFF O   1 ? 11 
ATOM   3393 C  CB  . ALA C 3 106 ? 9.569   -41.561 -18.168 1.000 18.688  0 104 ALA FFF CB  1 ? 11 
ATOM   3394 N  N   . TYR C 3 107 ? 7.766   -44.150 -18.174 1.000 18.561  0 105 TYR FFF N   1 ? 11 
ATOM   3395 C  CA  . TYR C 3 107 ? 7.582   -45.599 -17.972 1.000 19.172  0 105 TYR FFF CA  1 ? 11 
ATOM   3396 C  C   . TYR C 3 107 ? 6.245   -45.984 -18.583 1.000 19.051  0 105 TYR FFF C   1 ? 11 
ATOM   3397 O  O   . TYR C 3 107 ? 5.179   -45.691 -17.990 1.000 19.280  0 105 TYR FFF O   1 ? 11 
ATOM   3398 C  CB  . TYR C 3 107 ? 7.602   -45.904 -16.479 1.000 19.988  0 105 TYR FFF CB  1 ? 11 
ATOM   3399 C  CG  . TYR C 3 107 ? 8.900   -45.592 -15.780 1.000 19.703  0 105 TYR FFF CG  1 ? 11 
ATOM   3400 C  CD1 . TYR C 3 107 ? 9.937   -46.497 -15.765 1.000 20.316  0 105 TYR FFF CD1 1 ? 11 
ATOM   3401 C  CD2 . TYR C 3 107 ? 9.062   -44.412 -15.088 1.000 19.760  0 105 TYR FFF CD2 1 ? 11 
ATOM   3402 C  CE1 . TYR C 3 107 ? 11.129  -46.228 -15.128 1.000 22.440  0 105 TYR FFF CE1 1 ? 11 
ATOM   3403 C  CE2 . TYR C 3 107 ? 10.236  -44.135 -14.417 1.000 22.127  0 105 TYR FFF CE2 1 ? 11 
ATOM   3404 C  CZ  . TYR C 3 107 ? 11.267  -45.053 -14.411 1.000 22.700  0 105 TYR FFF CZ  1 ? 11 
ATOM   3405 O  OH  . TYR C 3 107 ? 12.423  -44.777 -13.728 1.000 28.783  0 105 TYR FFF OH  1 ? 11 
ATOM   3406 N  N   . TYR C 3 108 ? 6.284   -46.631 -19.748 1.000 19.076  0 106 TYR FFF N   1 ? 11 
ATOM   3407 C  CA  . TYR C 3 108 ? 5.043   -46.944 -20.491 1.000 19.069  0 106 TYR FFF CA  1 ? 11 
ATOM   3408 C  C   . TYR C 3 108 ? 4.199   -47.888 -19.632 1.000 18.372  0 106 TYR FFF C   1 ? 11 
ATOM   3409 O  O   . TYR C 3 108 ? 2.983   -47.965 -19.807 1.000 18.617  0 106 TYR FFF O   1 ? 11 
ATOM   3410 C  CB  . TYR C 3 108 ? 5.375   -47.548 -21.860 1.000 18.804  0 106 TYR FFF CB  1 ? 11 
ATOM   3411 C  CG  . TYR C 3 108 ? 5.714   -49.015 -21.766 1.000 19.790  0 106 TYR FFF CG  1 ? 11 
ATOM   3412 C  CD1 . TYR C 3 108 ? 4.720   -49.984 -21.774 1.000 18.969  0 106 TYR FFF CD1 1 ? 11 
ATOM   3413 C  CD2 . TYR C 3 108 ? 7.025   -49.436 -21.609 1.000 18.962  0 106 TYR FFF CD2 1 ? 11 
ATOM   3414 C  CE1 . TYR C 3 108 ? 5.021   -51.326 -21.643 1.000 19.914  0 106 TYR FFF CE1 1 ? 11 
ATOM   3415 C  CE2 . TYR C 3 108 ? 7.341   -50.776 -21.462 1.000 19.673  0 106 TYR FFF CE2 1 ? 11 
ATOM   3416 C  CZ  . TYR C 3 108 ? 6.333   -51.728 -21.472 1.000 20.244  0 106 TYR FFF CZ  1 ? 11 
ATOM   3417 O  OH  . TYR C 3 108 ? 6.625   -53.053 -21.317 1.000 21.319  0 106 TYR FFF OH  1 ? 11 
ATOM   3418 N  N   . THR C 3 109 ? 4.875   -48.616 -18.743 1.000 18.213  0 107 THR FFF N   1 ? 11 
ATOM   3419 C  CA  . THR C 3 109 ? 4.271   -49.595 -17.815 1.000 19.499  0 107 THR FFF CA  1 ? 11 
ATOM   3420 C  C   . THR C 3 109 ? 3.191   -48.938 -16.946 1.000 19.041  0 107 THR FFF C   1 ? 11 
ATOM   3421 O  O   . THR C 3 109 ? 2.386   -49.699 -16.326 1.000 20.999  0 107 THR FFF O   1 ? 11 
ATOM   3422 C  CB  . THR C 3 109 ? 5.385   -50.211 -16.969 1.000 21.132  0 107 THR FFF CB  1 ? 11 
ATOM   3423 O  OG1 . THR C 3 109 ? 6.012   -49.105 -16.318 1.000 20.194  0 107 THR FFF OG1 1 ? 11 
ATOM   3424 C  CG2 . THR C 3 109 ? 6.400   -50.985 -17.781 1.000 22.574  0 107 THR FFF CG2 1 ? 11 
ATOM   3425 N  N   . GLU C 3 110 ? 3.153   -47.607 -16.881 1.000 18.692  0 108 GLU FFF N   1 ? 11 
ATOM   3426 C  CA  . GLU C 3 110 ? 2.174   -46.899 -16.019 1.000 19.213  0 108 GLU FFF CA  1 ? 11 
ATOM   3427 C  C   . GLU C 3 110 ? 0.939   -46.475 -16.809 1.000 20.267  0 108 GLU FFF C   1 ? 11 
ATOM   3428 O  O   . GLU C 3 110 ? 0.003   -45.961 -16.202 1.000 21.904  0 108 GLU FFF O   1 ? 11 
ATOM   3429 C  CB  . GLU C 3 110 ? 2.857   -45.722 -15.342 1.000 20.559  0 108 GLU FFF CB  1 ? 11 
ATOM   3430 C  CG  . GLU C 3 110 ? 3.979   -46.184 -14.432 1.000 19.763  0 108 GLU FFF CG  1 ? 11 
ATOM   3431 C  CD  . GLU C 3 110 ? 4.437   -45.153 -13.434 1.000 22.552  0 108 GLU FFF CD  1 ? 11 
ATOM   3432 O  OE1 . GLU C 3 110 ? 4.715   -44.016 -13.863 1.000 23.743  0 108 GLU FFF OE1 1 ? 11 
ATOM   3433 O  OE2 . GLU C 3 110 ? 4.550   -45.526 -12.216 1.000 21.225  0 108 GLU FFF OE2 1 ? 11 
ATOM   3434 N  N   . TYR C 3 111 ? 0.917   -46.676 -18.128 1.000 20.868  0 109 TYR FFF N   1 ? 11 
ATOM   3435 C  CA  . TYR C 3 111 ? -0.278  -46.297 -18.921 1.000 21.101  0 109 TYR FFF CA  1 ? 11 
ATOM   3436 C  C   . TYR C 3 111 ? -1.476  -47.159 -18.515 1.000 20.048  0 109 TYR FFF C   1 ? 11 
ATOM   3437 O  O   . TYR C 3 111 ? -1.331  -48.362 -18.310 1.000 21.627  0 109 TYR FFF O   1 ? 11 
ATOM   3438 C  CB  . TYR C 3 111 ? -0.017  -46.380 -20.426 1.000 19.490  0 109 TYR FFF CB  1 ? 11 
ATOM   3439 C  CG  . TYR C 3 111 ? 0.706   -45.173 -20.975 1.000 18.241  0 109 TYR FFF CG  1 ? 11 
ATOM   3440 C  CD1 . TYR C 3 111 ? 0.153   -43.903 -20.909 1.000 19.219  0 109 TYR FFF CD1 1 ? 11 
ATOM   3441 C  CD2 . TYR C 3 111 ? 1.963   -45.298 -21.545 1.000 18.037  0 109 TYR FFF CD2 1 ? 11 
ATOM   3442 C  CE1 . TYR C 3 111 ? 0.837   -42.786 -21.379 1.000 17.955  0 109 TYR FFF CE1 1 ? 11 
ATOM   3443 C  CE2 . TYR C 3 111 ? 2.651   -44.199 -22.027 1.000 19.731  0 109 TYR FFF CE2 1 ? 11 
ATOM   3444 C  CZ  . TYR C 3 111 ? 2.091   -42.938 -21.950 1.000 18.282  0 109 TYR FFF CZ  1 ? 11 
ATOM   3445 O  OH  . TYR C 3 111 ? 2.803   -41.865 -22.405 1.000 19.518  0 109 TYR FFF OH  1 ? 11 
ATOM   3446 N  N   . THR C 3 112 ? -2.650  -46.536 -18.482 1.000 21.617  0 110 THR FFF N   1 ? 11 
ATOM   3447 C  CA  . THR C 3 112 ? -3.956  -47.218 -18.361 1.000 22.009  0 110 THR FFF CA  1 ? 11 
ATOM   3448 C  C   . THR C 3 112 ? -4.923  -46.602 -19.367 1.000 19.935  0 110 THR FFF C   1 ? 11 
ATOM   3449 O  O   . THR C 3 112 ? -4.610  -45.524 -19.936 1.000 20.130  0 110 THR FFF O   1 ? 11 
ATOM   3450 C  CB  . THR C 3 112 ? -4.552  -47.122 -16.948 1.000 22.746  0 110 THR FFF CB  1 ? 11 
ATOM   3451 O  OG1 . THR C 3 112 ? -5.045  -45.792 -16.750 1.000 22.993  0 110 THR FFF OG1 1 ? 11 
ATOM   3452 C  CG2 . THR C 3 112 ? -3.563  -47.480 -15.852 1.000 24.755  0 110 THR FFF CG2 1 ? 11 
ATOM   3453 N  N   . GLU C 3 113 ? -6.086  -47.212 -19.512 1.000 21.150  0 111 GLU FFF N   1 ? 11 
ATOM   3454 C  CA  A GLU C 3 113 ? -7.118  -46.749 -20.478 0.600 23.240  0 111 GLU FFF CA  1 ? 11 
ATOM   3455 C  CA  B GLU C 3 113 ? -7.115  -46.747 -20.480 0.400 22.656  0 111 GLU FFF CA  1 ? 11 
ATOM   3456 C  C   . GLU C 3 113 ? -7.522  -45.301 -20.162 1.000 21.716  0 111 GLU FFF C   1 ? 11 
ATOM   3457 O  O   . GLU C 3 113 ? -7.840  -44.569 -21.104 1.000 22.414  0 111 GLU FFF O   1 ? 11 
ATOM   3458 C  CB  A GLU C 3 113 ? -8.306  -47.711 -20.490 0.600 26.052  0 111 GLU FFF CB  1 ? 11 
ATOM   3459 C  CB  B GLU C 3 113 ? -8.318  -47.689 -20.493 0.400 25.082  0 111 GLU FFF CB  1 ? 11 
ATOM   3460 C  CG  A GLU C 3 113 ? -9.160  -47.683 -19.235 0.600 32.526  0 111 GLU FFF CG  1 ? 11 
ATOM   3461 C  CG  B GLU C 3 113 ? -9.134  -47.684 -19.216 0.400 27.781  0 111 GLU FFF CG  1 ? 11 
ATOM   3462 C  CD  A GLU C 3 113 ? -10.247 -46.618 -19.201 0.600 39.335  0 111 GLU FFF CD  1 ? 11 
ATOM   3463 C  CD  B GLU C 3 113 ? -10.466 -48.398 -19.347 0.400 29.942  0 111 GLU FFF CD  1 ? 11 
ATOM   3464 O  OE1 A GLU C 3 113 ? -10.653 -46.131 -20.288 0.600 42.946  0 111 GLU FFF OE1 1 ? 11 
ATOM   3465 O  OE1 B GLU C 3 113 ? -11.009 -48.449 -20.478 0.400 24.804  0 111 GLU FFF OE1 1 ? 11 
ATOM   3466 O  OE2 A GLU C 3 113 ? -10.688 -46.275 -18.085 0.600 48.877  0 111 GLU FFF OE2 1 ? 11 
ATOM   3467 O  OE2 B GLU C 3 113 ? -10.953 -48.895 -18.323 0.400 33.271  0 111 GLU FFF OE2 1 ? 11 
ATOM   3468 N  N   . ALA C 3 114 ? -7.485  -44.887 -18.878 1.000 22.866  0 112 ALA FFF N   1 ? 11 
ATOM   3469 C  CA  . ALA C 3 114 ? -7.908  -43.525 -18.480 1.000 24.281  0 112 ALA FFF CA  1 ? 11 
ATOM   3470 C  C   . ALA C 3 114 ? -7.040  -42.450 -19.159 1.000 21.778  0 112 ALA FFF C   1 ? 11 
ATOM   3471 O  O   . ALA C 3 114 ? -7.475  -41.304 -19.250 1.000 23.501  0 112 ALA FFF O   1 ? 11 
ATOM   3472 C  CB  . ALA C 3 114 ? -7.889  -43.394 -16.975 1.000 29.453  0 112 ALA FFF CB  1 ? 11 
ATOM   3473 N  N   . ASP C 3 115 ? -5.840  -42.805 -19.602 1.000 20.536  0 113 ASP FFF N   1 ? 11 
ATOM   3474 C  CA  . ASP C 3 115 ? -4.870  -41.855 -20.196 1.000 20.884  0 113 ASP FFF CA  1 ? 11 
ATOM   3475 C  C   . ASP C 3 115 ? -5.182  -41.625 -21.675 1.000 21.014  0 113 ASP FFF C   1 ? 11 
ATOM   3476 O  O   . ASP C 3 115 ? -4.588  -40.691 -22.261 1.000 21.233  0 113 ASP FFF O   1 ? 11 
ATOM   3477 C  CB  . ASP C 3 115 ? -3.459  -42.406 -20.067 1.000 21.540  0 113 ASP FFF CB  1 ? 11 
ATOM   3478 C  CG  . ASP C 3 115 ? -2.992  -42.552 -18.624 1.000 21.596  0 113 ASP FFF CG  1 ? 11 
ATOM   3479 O  OD1 . ASP C 3 115 ? -3.498  -41.777 -17.777 1.000 24.378  0 113 ASP FFF OD1 1 ? 11 
ATOM   3480 O  OD2 . ASP C 3 115 ? -2.154  -43.460 -18.353 1.000 21.915  0 113 ASP FFF OD2 1 ? 11 
ATOM   3481 N  N   . PHE C 3 116 ? -6.057  -42.438 -22.257 1.000 21.045  0 114 PHE FFF N   1 ? 11 
ATOM   3482 C  CA  . PHE C 3 116 ? -6.272  -42.471 -23.727 1.000 21.028  0 114 PHE FFF CA  1 ? 11 
ATOM   3483 C  C   . PHE C 3 116 ? -7.674  -41.977 -24.082 1.000 22.942  0 114 PHE FFF C   1 ? 11 
ATOM   3484 O  O   . PHE C 3 116 ? -8.601  -42.020 -23.286 1.000 22.613  0 114 PHE FFF O   1 ? 11 
ATOM   3485 C  CB  . PHE C 3 116 ? -6.019  -43.876 -24.275 1.000 20.454  0 114 PHE FFF CB  1 ? 11 
ATOM   3486 C  CG  . PHE C 3 116 ? -4.564  -44.248 -24.313 1.000 21.174  0 114 PHE FFF CG  1 ? 11 
ATOM   3487 C  CD1 . PHE C 3 116 ? -3.885  -44.572 -23.155 1.000 21.206  0 114 PHE FFF CD1 1 ? 11 
ATOM   3488 C  CD2 . PHE C 3 116 ? -3.827  -44.174 -25.494 1.000 19.512  0 114 PHE FFF CD2 1 ? 11 
ATOM   3489 C  CE1 . PHE C 3 116 ? -2.540  -44.896 -23.187 1.000 19.552  0 114 PHE FFF CE1 1 ? 11 
ATOM   3490 C  CE2 . PHE C 3 116 ? -2.480  -44.480 -25.514 1.000 20.486  0 114 PHE FFF CE2 1 ? 11 
ATOM   3491 C  CZ  . PHE C 3 116 ? -1.825  -44.835 -24.353 1.000 21.173  0 114 PHE FFF CZ  1 ? 11 
ATOM   3492 N  N   . GLY C 3 117 ? -7.800  -41.480 -25.312 1.000 22.760  0 115 GLY FFF N   1 ? 11 
ATOM   3493 C  CA  . GLY C 3 117 ? -9.069  -41.013 -25.876 1.000 22.526  0 115 GLY FFF CA  1 ? 11 
ATOM   3494 C  C   . GLY C 3 117 ? -9.090  -41.190 -27.382 1.000 22.515  0 115 GLY FFF C   1 ? 11 
ATOM   3495 O  O   . GLY C 3 117 ? -8.158  -41.829 -27.949 1.000 22.136  0 115 GLY FFF O   1 ? 11 
ATOM   3496 N  N   . SER C 3 118 ? -10.115 -40.632 -28.001 1.000 23.877  0 116 SER FFF N   1 ? 11 
ATOM   3497 C  CA  . SER C 3 118 ? -10.359 -40.729 -29.462 1.000 24.120  0 116 SER FFF CA  1 ? 11 
ATOM   3498 C  C   . SER C 3 118 ? -10.390 -42.204 -29.871 1.000 24.295  0 116 SER FFF C   1 ? 11 
ATOM   3499 O  O   . SER C 3 118 ? -9.834  -42.571 -30.924 1.000 24.165  0 116 SER FFF O   1 ? 11 
ATOM   3500 C  CB  . SER C 3 118 ? -9.304  -39.961 -30.220 1.000 23.614  0 116 SER FFF CB  1 ? 11 
ATOM   3501 O  OG  . SER C 3 118 ? -9.404  -38.576 -29.955 1.000 26.988  0 116 SER FFF OG  1 ? 11 
ATOM   3502 N  N   . TRP C 3 119 ? -11.020 -43.050 -29.066 1.000 23.541  0 117 TRP FFF N   1 ? 11 
ATOM   3503 C  CA  . TRP C 3 119 ? -11.043 -44.517 -29.264 1.000 23.334  0 117 TRP FFF CA  1 ? 11 
ATOM   3504 C  C   . TRP C 3 119 ? -11.513 -44.868 -30.681 1.000 22.865  0 117 TRP FFF C   1 ? 11 
ATOM   3505 O  O   . TRP C 3 119 ? -12.560 -44.358 -31.121 1.000 22.829  0 117 TRP FFF O   1 ? 11 
ATOM   3506 C  CB  . TRP C 3 119 ? -11.932 -45.165 -28.204 1.000 22.834  0 117 TRP FFF CB  1 ? 11 
ATOM   3507 C  CG  . TRP C 3 119 ? -11.367 -44.994 -26.827 1.000 23.609  0 117 TRP FFF CG  1 ? 11 
ATOM   3508 C  CD1 . TRP C 3 119 ? -11.650 -43.998 -25.941 1.000 25.751  0 117 TRP FFF CD1 1 ? 11 
ATOM   3509 C  CD2 . TRP C 3 119 ? -10.406 -45.848 -26.191 1.000 21.382  0 117 TRP FFF CD2 1 ? 11 
ATOM   3510 N  NE1 . TRP C 3 119 ? -10.926 -44.174 -24.793 1.000 24.415  0 117 TRP FFF NE1 1 ? 11 
ATOM   3511 C  CE2 . TRP C 3 119 ? -10.143 -45.294 -24.922 1.000 23.270  0 117 TRP FFF CE2 1 ? 11 
ATOM   3512 C  CE3 . TRP C 3 119 ? -9.720  -47.002 -26.578 1.000 22.676  0 117 TRP FFF CE3 1 ? 11 
ATOM   3513 C  CZ2 . TRP C 3 119 ? -9.254  -45.890 -24.032 1.000 22.743  0 117 TRP FFF CZ2 1 ? 11 
ATOM   3514 C  CZ3 . TRP C 3 119 ? -8.838  -47.596 -25.699 1.000 21.245  0 117 TRP FFF CZ3 1 ? 11 
ATOM   3515 C  CH2 . TRP C 3 119 ? -8.611  -47.039 -24.440 1.000 22.950  0 117 TRP FFF CH2 1 ? 11 
ATOM   3516 N  N   . GLY C 3 120 ? -10.790 -45.767 -31.338 1.000 21.719  0 118 GLY FFF N   1 ? 11 
ATOM   3517 C  CA  . GLY C 3 120 ? -11.294 -46.457 -32.537 1.000 23.050  0 118 GLY FFF CA  1 ? 11 
ATOM   3518 C  C   . GLY C 3 120 ? -12.491 -47.316 -32.199 1.000 22.846  0 118 GLY FFF C   1 ? 11 
ATOM   3519 O  O   . GLY C 3 120 ? -12.714 -47.648 -31.000 1.000 24.295  0 118 GLY FFF O   1 ? 11 
ATOM   3520 N  N   . GLN C 3 121 ? -13.254 -47.704 -33.199 1.000 22.517  0 119 GLN FFF N   1 ? 11 
ATOM   3521 C  CA  . GLN C 3 121 ? -14.320 -48.700 -33.038 1.000 23.451  0 119 GLN FFF CA  1 ? 11 
ATOM   3522 C  C   . GLN C 3 121 ? -13.681 -50.045 -32.656 1.000 24.741  0 119 GLN FFF C   1 ? 11 
ATOM   3523 O  O   . GLN C 3 121 ? -12.806 -50.584 -33.412 1.000 29.171  0 119 GLN FFF O   1 ? 11 
ATOM   3524 C  CB  . GLN C 3 121 ? -15.095 -48.867 -34.348 1.000 26.223  0 119 GLN FFF CB  1 ? 11 
ATOM   3525 C  CG  . GLN C 3 121 ? -16.182 -49.912 -34.206 1.000 27.009  0 119 GLN FFF CG  1 ? 11 
ATOM   3526 C  CD  . GLN C 3 121 ? -17.005 -50.105 -35.442 1.000 28.849  0 119 GLN FFF CD  1 ? 11 
ATOM   3527 O  OE1 . GLN C 3 121 ? -16.669 -49.605 -36.514 1.000 29.223  0 119 GLN FFF OE1 1 ? 11 
ATOM   3528 N  NE2 . GLN C 3 121 ? -18.100 -50.833 -35.275 1.000 33.691  0 119 GLN FFF NE2 1 ? 11 
ATOM   3529 N  N   . GLY C 3 122 ? -14.195 -50.679 -31.632 1.000 26.194  0 120 GLY FFF N   1 ? 11 
ATOM   3530 C  CA  . GLY C 3 122 ? -13.665 -51.979 -31.203 1.000 26.185  0 120 GLY FFF CA  1 ? 11 
ATOM   3531 C  C   . GLY C 3 122 ? -13.798 -53.017 -32.294 1.000 25.259  0 120 GLY FFF C   1 ? 11 
ATOM   3532 O  O   . GLY C 3 122 ? -14.820 -53.000 -33.026 1.000 28.167  0 120 GLY FFF O   1 ? 11 
ATOM   3533 N  N   . THR C 3 123 ? -12.797 -53.883 -32.431 1.000 23.696  0 121 THR FFF N   1 ? 11 
ATOM   3534 C  CA  A THR C 3 123 ? -12.881 -54.986 -33.417 0.500 24.608  0 121 THR FFF CA  1 ? 11 
ATOM   3535 C  CA  B THR C 3 123 ? -12.764 -54.978 -33.432 0.500 24.993  0 121 THR FFF CA  1 ? 11 
ATOM   3536 C  C   . THR C 3 123 ? -12.638 -56.314 -32.702 1.000 24.540  0 121 THR FFF C   1 ? 11 
ATOM   3537 O  O   . THR C 3 123 ? -11.679 -56.427 -31.927 1.000 24.279  0 121 THR FFF O   1 ? 11 
ATOM   3538 C  CB  A THR C 3 123 ? -12.017 -54.721 -34.658 0.500 23.368  0 121 THR FFF CB  1 ? 11 
ATOM   3539 C  CB  B THR C 3 123 ? -11.581 -54.782 -34.390 0.500 29.441  0 121 THR FFF CB  1 ? 11 
ATOM   3540 O  OG1 A THR C 3 123 ? -12.413 -55.687 -35.633 0.500 24.860  0 121 THR FFF OG1 1 ? 11 
ATOM   3541 O  OG1 B THR C 3 123 ? -10.349 -54.994 -33.701 0.500 36.672  0 121 THR FFF OG1 1 ? 11 
ATOM   3542 C  CG2 A THR C 3 123 ? -10.529 -54.787 -34.422 0.500 23.670  0 121 THR FFF CG2 1 ? 11 
ATOM   3543 C  CG2 B THR C 3 123 ? -11.553 -53.394 -34.979 0.500 29.666  0 121 THR FFF CG2 1 ? 11 
ATOM   3544 N  N   . GLN C 3 124 ? -13.528 -57.261 -32.970 1.000 25.037  0 122 GLN FFF N   1 ? 11 
ATOM   3545 C  CA  . GLN C 3 124 ? -13.479 -58.606 -32.371 1.000 26.911  0 122 GLN FFF CA  1 ? 11 
ATOM   3546 C  C   . GLN C 3 124 ? -12.302 -59.377 -32.970 1.000 27.481  0 122 GLN FFF C   1 ? 11 
ATOM   3547 O  O   . GLN C 3 124 ? -12.210 -59.491 -34.230 1.000 28.008  0 122 GLN FFF O   1 ? 11 
ATOM   3548 C  CB  . GLN C 3 124 ? -14.795 -59.359 -32.561 1.000 29.339  0 122 GLN FFF CB  1 ? 11 
ATOM   3549 C  CG  . GLN C 3 124 ? -14.823 -60.708 -31.867 1.000 30.052  0 122 GLN FFF CG  1 ? 11 
ATOM   3550 C  CD  . GLN C 3 124 ? -14.857 -60.592 -30.362 1.000 31.767  0 122 GLN FFF CD  1 ? 11 
ATOM   3551 O  OE1 . GLN C 3 124 ? -15.707 -59.908 -29.792 1.000 32.290  0 122 GLN FFF OE1 1 ? 11 
ATOM   3552 N  NE2 . GLN C 3 124 ? -13.937 -61.283 -29.704 1.000 33.073  0 122 GLN FFF NE2 1 ? 11 
ATOM   3553 N  N   . VAL C 3 125 ? -11.467 -59.922 -32.091 1.000 26.367  0 123 VAL FFF N   1 ? 11 
ATOM   3554 C  CA  . VAL C 3 125 ? -10.487 -60.981 -32.425 1.000 27.178  0 123 VAL FFF CA  1 ? 11 
ATOM   3555 C  C   . VAL C 3 125 ? -10.886 -62.233 -31.643 1.000 28.525  0 123 VAL FFF C   1 ? 11 
ATOM   3556 O  O   . VAL C 3 125 ? -11.051 -62.157 -30.396 1.000 30.506  0 123 VAL FFF O   1 ? 11 
ATOM   3557 C  CB  . VAL C 3 125 ? -9.059  -60.530 -32.095 1.000 29.489  0 123 VAL FFF CB  1 ? 11 
ATOM   3558 C  CG1 . VAL C 3 125 ? -8.079  -61.696 -32.168 1.000 33.599  0 123 VAL FFF CG1 1 ? 11 
ATOM   3559 C  CG2 . VAL C 3 125 ? -8.635  -59.375 -32.991 1.000 26.841  0 123 VAL FFF CG2 1 ? 11 
ATOM   3560 N  N   . THR C 3 126 ? -11.070 -63.341 -32.344 1.000 29.162  0 124 THR FFF N   1 ? 11 
ATOM   3561 C  CA  . THR C 3 126 ? -11.456 -64.636 -31.743 1.000 31.885  0 124 THR FFF CA  1 ? 11 
ATOM   3562 C  C   . THR C 3 126 ? -10.427 -65.666 -32.175 1.000 34.088  0 124 THR FFF C   1 ? 11 
ATOM   3563 O  O   . THR C 3 126 ? -10.230 -65.841 -33.380 1.000 35.792  0 124 THR FFF O   1 ? 11 
ATOM   3564 C  CB  . THR C 3 126 ? -12.876 -65.055 -32.128 1.000 34.612  0 124 THR FFF CB  1 ? 11 
ATOM   3565 O  OG1 . THR C 3 126 ? -13.733 -63.981 -31.739 1.000 34.652  0 124 THR FFF OG1 1 ? 11 
ATOM   3566 C  CG2 . THR C 3 126 ? -13.295 -66.348 -31.464 1.000 37.930  0 124 THR FFF CG2 1 ? 11 
ATOM   3567 N  N   . VAL C 3 127 ? -9.775  -66.287 -31.203 1.000 32.600  0 125 VAL FFF N   1 ? 11 
ATOM   3568 C  CA  . VAL C 3 127 ? -8.772  -67.355 -31.437 1.000 35.056  0 125 VAL FFF CA  1 ? 11 
ATOM   3569 C  C   . VAL C 3 127 ? -9.380  -68.655 -30.918 1.000 38.393  0 125 VAL FFF C   1 ? 11 
ATOM   3570 O  O   . VAL C 3 127 ? -9.657  -68.751 -29.714 1.000 40.377  0 125 VAL FFF O   1 ? 11 
ATOM   3571 C  CB  . VAL C 3 127 ? -7.432  -67.014 -30.772 1.000 34.146  0 125 VAL FFF CB  1 ? 11 
ATOM   3572 C  CG1 . VAL C 3 127 ? -6.363  -68.017 -31.160 1.000 35.123  0 125 VAL FFF CG1 1 ? 11 
ATOM   3573 C  CG2 . VAL C 3 127 ? -7.001  -65.594 -31.113 1.000 30.926  0 125 VAL FFF CG2 1 ? 11 
ATOM   3574 N  N   . SER C 3 128 ? -9.634  -69.586 -31.829 1.000 43.125  0 126 SER FFF N   1 ? 11 
ATOM   3575 C  CA  A SER C 3 128 ? -10.262 -70.894 -31.513 0.600 47.771  0 126 SER FFF CA  1 ? 11 
ATOM   3576 C  CA  B SER C 3 128 ? -10.272 -70.899 -31.553 0.400 46.772  0 126 SER FFF CA  1 ? 11 
ATOM   3577 C  C   . SER C 3 128 ? -9.216  -72.000 -31.641 1.000 55.047  0 126 SER FFF C   1 ? 11 
ATOM   3578 O  O   . SER C 3 128 ? -8.397  -71.929 -32.585 1.000 61.458  0 126 SER FFF O   1 ? 11 
ATOM   3579 C  CB  A SER C 3 128 ? -11.444 -71.159 -32.400 0.600 51.985  0 126 SER FFF CB  1 ? 11 
ATOM   3580 C  CB  B SER C 3 128 ? -11.359 -71.161 -32.547 0.400 46.933  0 126 SER FFF CB  1 ? 11 
ATOM   3581 O  OG  A SER C 3 128 ? -12.032 -72.413 -32.088 0.600 57.309  0 126 SER FFF OG  1 ? 11 
ATOM   3582 O  OG  B SER C 3 128 ? -10.793 -71.350 -33.836 0.400 45.515  0 126 SER FFF OG  1 ? 11 
ATOM   3583 N  N   . SER C 3 129 ? -9.269  -72.970 -30.724 1.000 62.851  0 127 SER FFF N   1 ? 11 
ATOM   3584 C  CA  . SER C 3 129 ? -8.458  -74.214 -30.758 1.000 66.669  0 127 SER FFF CA  1 ? 11 
ATOM   3585 C  C   . SER C 3 129 ? -9.130  -75.194 -31.729 1.000 72.798  0 127 SER FFF C   1 ? 11 
ATOM   3586 O  O   . SER C 3 129 ? -10.021 -75.958 -31.359 1.000 82.561  0 127 SER FFF O   1 ? 11 
ATOM   3587 C  CB  . SER C 3 129 ? -8.295  -74.789 -29.374 1.000 73.241  0 127 SER FFF CB  1 ? 11 
ATOM   3588 O  OG  . SER C 3 129 ? -8.162  -73.745 -28.423 1.000 73.658  0 127 SER FFF OG  1 ? 11 
HETATM 3589 C  C1  . NAG D 4 .   ? 2.962   -8.200  -14.445 1.000 41.468  0 601 NAG EEE C1  1 ? ?  
HETATM 3590 C  C2  . NAG D 4 .   ? 3.897   -7.003  -14.329 1.000 43.016  0 601 NAG EEE C2  1 ? ?  
HETATM 3591 C  C3  . NAG D 4 .   ? 3.610   -6.226  -13.042 1.000 50.385  0 601 NAG EEE C3  1 ? ?  
HETATM 3592 C  C4  . NAG D 4 .   ? 2.177   -5.714  -13.073 1.000 49.743  0 601 NAG EEE C4  1 ? ?  
HETATM 3593 C  C5  . NAG D 4 .   ? 1.227   -6.870  -13.329 1.000 48.150  0 601 NAG EEE C5  1 ? ?  
HETATM 3594 C  C6  . NAG D 4 .   ? -0.151  -6.326  -13.661 1.000 55.010  0 601 NAG EEE C6  1 ? ?  
HETATM 3595 C  C7  . NAG D 4 .   ? 6.192   -6.868  -15.100 1.000 40.727  0 601 NAG EEE C7  1 ? ?  
HETATM 3596 C  C8  . NAG D 4 .   ? 7.595   -7.335  -14.855 1.000 43.029  0 601 NAG EEE C8  1 ? ?  
HETATM 3597 N  N2  . NAG D 4 .   ? 5.272   -7.445  -14.335 1.000 40.846  0 601 NAG EEE N2  1 ? ?  
HETATM 3598 O  O3  . NAG D 4 .   ? 4.528   -5.137  -12.871 1.000 56.680  0 601 NAG EEE O3  1 ? ?  
HETATM 3599 O  O4  . NAG D 4 .   ? 1.798   -5.111  -11.825 1.000 53.915  0 601 NAG EEE O4  1 ? ?  
HETATM 3600 O  O5  . NAG D 4 .   ? 1.633   -7.703  -14.420 1.000 49.183  0 601 NAG EEE O5  1 ? ?  
HETATM 3601 O  O6  . NAG D 4 .   ? -1.051  -7.425  -13.554 1.000 61.676  0 601 NAG EEE O6  1 ? ?  
HETATM 3602 O  O7  . NAG D 4 .   ? 5.927   -5.988  -15.909 1.000 46.288  0 601 NAG EEE O7  1 ? ?  
HETATM 3603 C  C1  . CIT E 5 .   ? 14.328  -34.216 -9.441  1.000 34.283  0 602 CIT EEE C1  1 ? ?  
HETATM 3604 O  O1  . CIT E 5 .   ? 14.054  -33.119 -9.988  1.000 32.072  0 602 CIT EEE O1  1 ? ?  
HETATM 3605 O  O2  . CIT E 5 .   ? 15.508  -34.529 -9.043  1.000 32.594  0 602 CIT EEE O2  1 ? ?  
HETATM 3606 C  C2  . CIT E 5 .   ? 13.184  -35.213 -9.272  1.000 40.268  0 602 CIT EEE C2  1 ? ?  
HETATM 3607 C  C3  . CIT E 5 .   ? 12.349  -35.087 -7.982  1.000 38.916  0 602 CIT EEE C3  1 ? ?  
HETATM 3608 O  O7  . CIT E 5 .   ? 11.429  -36.165 -7.857  1.000 52.325  0 602 CIT EEE O7  1 ? ?  
HETATM 3609 C  C4  . CIT E 5 .   ? 13.263  -35.074 -6.750  1.000 46.109  0 602 CIT EEE C4  1 ? ?  
HETATM 3610 C  C5  . CIT E 5 .   ? 13.239  -33.762 -6.001  1.000 50.311  0 602 CIT EEE C5  1 ? ?  
HETATM 3611 O  O3  . CIT E 5 .   ? 14.011  -32.880 -6.335  1.000 58.660  0 602 CIT EEE O3  1 ? ?  
HETATM 3612 O  O4  . CIT E 5 .   ? 12.416  -33.642 -5.081  1.000 87.892  0 602 CIT EEE O4  1 ? ?  
HETATM 3613 C  C6  . CIT E 5 .   ? 11.562  -33.760 -8.034  1.000 36.580  0 602 CIT EEE C6  1 ? ?  
HETATM 3614 O  O5  . CIT E 5 .   ? 11.898  -32.953 -8.874  1.000 64.374  0 602 CIT EEE O5  1 ? ?  
HETATM 3615 O  O6  . CIT E 5 .   ? 10.602  -33.633 -7.274  1.000 58.899  0 602 CIT EEE O6  1 ? ?  
HETATM 3616 CL CL  . CL  F 6 .   ? 3.724   -39.972 -25.022 1.000 23.295  0 201 CL  FFF CL  1 ? ?  
HETATM 3617 O  O   . HOH G 7 .   ? 27.835  -17.408 -4.831  1.000 48.369  0 201 HOH AAA O   1 ? ?  
HETATM 3618 O  O   . HOH G 7 .   ? 6.221   -17.230 7.246   1.000 56.183  0 202 HOH AAA O   1 ? ?  
HETATM 3619 O  O   . HOH G 7 .   ? 6.828   -9.477  1.602   1.000 53.004  0 203 HOH AAA O   1 ? ?  
HETATM 3620 O  O   . HOH G 7 .   ? 18.162  -14.765 2.249   1.000 34.778  0 204 HOH AAA O   1 ? ?  
HETATM 3621 O  O   . HOH G 7 .   ? 24.464  -10.424 -0.477  1.000 45.206  0 205 HOH AAA O   1 ? ?  
HETATM 3622 O  O   . HOH G 7 .   ? 8.801   -24.801 3.791   1.000 45.877  0 206 HOH AAA O   1 ? ?  
HETATM 3623 O  O   . HOH G 7 .   ? 14.021  -2.955  7.868   1.000 50.854  0 207 HOH AAA O   1 ? ?  
HETATM 3624 O  O   . HOH G 7 .   ? 9.054   -20.172 3.473   1.000 39.183  0 208 HOH AAA O   1 ? ?  
HETATM 3625 O  O   . HOH G 7 .   ? 20.033  -21.779 -3.421  1.000 29.720  0 209 HOH AAA O   1 ? ?  
HETATM 3626 O  O   . HOH G 7 .   ? 24.790  -21.184 -1.342  1.000 50.036  0 210 HOH AAA O   1 ? ?  
HETATM 3627 O  O   . HOH G 7 .   ? 21.916  -1.268  -1.610  1.000 50.621  0 211 HOH AAA O   1 ? ?  
HETATM 3628 O  O   . HOH G 7 .   ? 20.760  -25.813 -1.852  1.000 37.772  0 212 HOH AAA O   1 ? ?  
HETATM 3629 O  O   . HOH G 7 .   ? 6.028   -23.048 11.085  1.000 45.921  0 213 HOH AAA O   1 ? ?  
HETATM 3630 O  O   . HOH G 7 .   ? 8.135   -17.535 3.551   1.000 41.884  0 214 HOH AAA O   1 ? ?  
HETATM 3631 O  O   . HOH G 7 .   ? 22.552  -22.145 0.027   1.000 42.615  0 215 HOH AAA O   1 ? ?  
HETATM 3632 O  O   . HOH G 7 .   ? 18.481  -27.146 3.389   1.000 57.645  0 216 HOH AAA O   1 ? ?  
HETATM 3633 O  O   . HOH G 7 .   ? 5.365   -18.429 9.489   1.000 48.859  0 217 HOH AAA O   1 ? ?  
HETATM 3634 O  O   . HOH G 7 .   ? 3.756   -12.330 3.005   1.000 52.034  0 218 HOH AAA O   1 ? ?  
HETATM 3635 O  O   . HOH G 7 .   ? 2.612   -13.381 6.287   1.000 49.027  0 219 HOH AAA O   1 ? ?  
HETATM 3636 O  O   . HOH G 7 .   ? 25.012  -23.885 18.047  1.000 60.423  0 220 HOH AAA O   1 ? ?  
HETATM 3637 O  O   . HOH G 7 .   ? 23.910  -27.581 -2.156  1.000 52.584  0 221 HOH AAA O   1 ? ?  
HETATM 3638 O  O   . HOH G 7 .   ? 9.468   -6.593  2.886   1.000 44.668  0 222 HOH AAA O   1 ? ?  
HETATM 3639 O  O   . HOH G 7 .   ? 7.284   -24.215 19.219  1.000 53.182  0 223 HOH AAA O   1 ? ?  
HETATM 3640 O  O   . HOH G 7 .   ? 12.452  -27.400 1.448   1.000 30.580  0 224 HOH AAA O   1 ? ?  
HETATM 3641 O  O   . HOH G 7 .   ? 19.252  -8.079  -3.084  1.000 55.851  0 225 HOH AAA O   1 ? ?  
HETATM 3642 O  O   . HOH G 7 .   ? 8.919   -14.053 -0.089  1.000 49.104  0 226 HOH AAA O   1 ? ?  
HETATM 3643 O  O   . HOH G 7 .   ? 14.342  -28.833 3.302   1.000 51.774  0 227 HOH AAA O   1 ? ?  
HETATM 3644 O  O   . HOH G 7 .   ? 7.542   -22.614 0.174   1.000 48.650  0 228 HOH AAA O   1 ? ?  
HETATM 3645 O  O   . HOH G 7 .   ? 11.694  -29.348 -0.410  1.000 34.582  0 229 HOH AAA O   1 ? ?  
HETATM 3646 O  O   . HOH G 7 .   ? 6.983   -15.941 1.779   1.000 52.291  0 230 HOH AAA O   1 ? ?  
HETATM 3647 O  O   . HOH H 7 .   ? 10.231  -34.990 -5.888  1.000 40.898  0 701 HOH EEE O   1 ? ?  
HETATM 3648 O  O   . HOH H 7 .   ? 13.443  -32.926 -3.509  1.000 50.623  0 702 HOH EEE O   1 ? ?  
HETATM 3649 O  O   . HOH H 7 .   ? 14.913  -31.125 -5.930  1.000 28.162  0 703 HOH EEE O   1 ? ?  
HETATM 3650 O  O   . HOH H 7 .   ? 15.312  -6.552  -27.788 1.000 54.833  0 704 HOH EEE O   1 ? ?  
HETATM 3651 O  O   . HOH H 7 .   ? -0.209  -28.589 -8.822  1.000 38.441  0 705 HOH EEE O   1 ? ?  
HETATM 3652 O  O   . HOH H 7 .   ? 27.692  -3.063  -25.235 1.000 36.819  0 706 HOH EEE O   1 ? ?  
HETATM 3653 O  O   . HOH H 7 .   ? 25.612  -13.748 -17.184 1.000 32.961  0 707 HOH EEE O   1 ? ?  
HETATM 3654 O  O   . HOH H 7 .   ? 28.778  -17.242 -9.492  1.000 50.411  0 708 HOH EEE O   1 ? ?  
HETATM 3655 O  O   . HOH H 7 .   ? 16.070  -9.402  1.201   1.000 37.384  0 709 HOH EEE O   1 ? ?  
HETATM 3656 O  O   . HOH H 7 .   ? 2.424   -31.626 -16.680 1.000 33.499  0 710 HOH EEE O   1 ? ?  
HETATM 3657 O  O   . HOH H 7 .   ? -7.636  -32.854 -9.799  1.000 39.732  0 711 HOH EEE O   1 ? ?  
HETATM 3658 O  O   . HOH H 7 .   ? 8.885   -3.626  -6.420  1.000 52.623  0 712 HOH EEE O   1 ? ?  
HETATM 3659 O  O   . HOH H 7 .   ? 23.573  -48.364 -28.180 1.000 50.755  0 713 HOH EEE O   1 ? ?  
HETATM 3660 O  O   . HOH H 7 .   ? 0.718   -17.298 -10.002 1.000 42.847  0 714 HOH EEE O   1 ? ?  
HETATM 3661 O  O   . HOH H 7 .   ? -6.574  -33.506 -17.311 1.000 48.965  0 715 HOH EEE O   1 ? ?  
HETATM 3662 O  O   . HOH H 7 .   ? 29.669  -17.766 -16.696 1.000 48.979  0 716 HOH EEE O   1 ? ?  
HETATM 3663 O  O   . HOH H 7 .   ? 9.790   -19.651 -4.041  1.000 29.919  0 717 HOH EEE O   1 ? ?  
HETATM 3664 O  O   . HOH H 7 .   ? -6.057  -35.992 -7.379  1.000 41.235  0 718 HOH EEE O   1 ? ?  
HETATM 3665 O  O   . HOH H 7 .   ? 1.966   -34.971 -21.421 1.000 23.873  0 719 HOH EEE O   1 ? ?  
HETATM 3666 O  O   . HOH H 7 .   ? 2.508   -16.744 -6.887  1.000 35.243  0 720 HOH EEE O   1 ? ?  
HETATM 3667 O  O   . HOH H 7 .   ? 14.263  -53.115 -25.397 1.000 35.626  0 721 HOH EEE O   1 ? ?  
HETATM 3668 O  O   . HOH H 7 .   ? 14.589  -54.427 -28.614 1.000 56.223  0 722 HOH EEE O   1 ? ?  
HETATM 3669 O  O   . HOH H 7 .   ? 19.527  -16.453 -18.702 1.000 26.076  0 723 HOH EEE O   1 ? ?  
HETATM 3670 O  O   . HOH H 7 .   ? 16.425  -31.672 -21.422 1.000 22.049  0 724 HOH EEE O   1 ? ?  
HETATM 3671 O  O   . HOH H 7 .   ? 14.895  -53.940 -22.554 1.000 43.821  0 725 HOH EEE O   1 ? ?  
HETATM 3672 O  O   . HOH H 7 .   ? 3.198   -14.183 -7.778  1.000 40.415  0 726 HOH EEE O   1 ? ?  
HETATM 3673 O  O   . HOH H 7 .   ? -5.610  -24.261 -10.616 1.000 47.249  0 727 HOH EEE O   1 ? ?  
HETATM 3674 O  O   . HOH H 7 .   ? 17.048  -29.009 -22.011 1.000 20.030  0 728 HOH EEE O   1 ? ?  
HETATM 3675 O  O   . HOH H 7 .   ? 21.512  -45.131 -16.528 1.000 39.225  0 729 HOH EEE O   1 ? ?  
HETATM 3676 O  O   . HOH H 7 .   ? 20.039  -36.749 -11.636 1.000 45.264  0 730 HOH EEE O   1 ? ?  
HETATM 3677 O  O   . HOH H 7 .   ? 24.297  -27.268 -11.315 1.000 32.559  0 731 HOH EEE O   1 ? ?  
HETATM 3678 O  O   . HOH H 7 .   ? 23.626  -39.836 -16.785 1.000 53.654  0 732 HOH EEE O   1 ? ?  
HETATM 3679 O  O   . HOH H 7 .   ? 9.135   -36.931 -6.751  1.000 49.385  0 733 HOH EEE O   1 ? ?  
HETATM 3680 O  O   . HOH H 7 .   ? 9.138   -46.807 -20.770 1.000 19.335  0 734 HOH EEE O   1 ? ?  
HETATM 3681 O  O   . HOH H 7 .   ? 10.195  -49.887 -32.522 1.000 35.438  0 735 HOH EEE O   1 ? ?  
HETATM 3682 O  O   . HOH H 7 .   ? -0.747  -23.181 -18.105 1.000 31.828  0 736 HOH EEE O   1 ? ?  
HETATM 3683 O  O   . HOH H 7 .   ? 27.852  -30.005 -17.069 1.000 45.673  0 737 HOH EEE O   1 ? ?  
HETATM 3684 O  O   . HOH H 7 .   ? 7.920   -53.500 -24.157 1.000 21.927  0 738 HOH EEE O   1 ? ?  
HETATM 3685 O  O   . HOH H 7 .   ? 17.513  -38.179 -22.769 1.000 20.977  0 739 HOH EEE O   1 ? ?  
HETATM 3686 O  O   . HOH H 7 .   ? -0.205  -22.806 -3.191  1.000 39.993  0 740 HOH EEE O   1 ? ?  
HETATM 3687 O  O   . HOH H 7 .   ? 4.700   -32.043 -9.607  1.000 24.465  0 741 HOH EEE O   1 ? ?  
HETATM 3688 O  O   . HOH H 7 .   ? -2.285  -35.615 -12.606 1.000 36.558  0 742 HOH EEE O   1 ? ?  
HETATM 3689 O  O   . HOH H 7 .   ? 23.097  1.198   -7.941  1.000 41.226  0 743 HOH EEE O   1 ? ?  
HETATM 3690 O  O   . HOH H 7 .   ? 10.540  -2.737  -17.012 1.000 53.543  0 744 HOH EEE O   1 ? ?  
HETATM 3691 O  O   . HOH H 7 .   ? 6.153   -42.731 -16.077 1.000 21.142  0 745 HOH EEE O   1 ? ?  
HETATM 3692 O  O   . HOH H 7 .   ? 22.731  -44.193 -22.589 1.000 41.032  0 746 HOH EEE O   1 ? ?  
HETATM 3693 O  O   . HOH H 7 .   ? 11.863  -16.662 -21.706 1.000 25.410  0 747 HOH EEE O   1 ? ?  
HETATM 3694 O  O   . HOH H 7 .   ? 17.191  -40.342 -24.497 1.000 22.927  0 748 HOH EEE O   1 ? ?  
HETATM 3695 O  O   . HOH H 7 .   ? 17.018  -21.611 -7.074  1.000 28.991  0 749 HOH EEE O   1 ? ?  
HETATM 3696 O  O   . HOH H 7 .   ? 5.283   -17.902 -4.617  1.000 32.617  0 750 HOH EEE O   1 ? ?  
HETATM 3697 O  O   . HOH H 7 .   ? 7.779   -36.938 -2.020  1.000 38.263  0 751 HOH EEE O   1 ? ?  
HETATM 3698 O  O   . HOH H 7 .   ? 21.458  -3.645  -17.252 1.000 50.965  0 752 HOH EEE O   1 ? ?  
HETATM 3699 O  O   . HOH H 7 .   ? 12.767  -38.704 -31.762 1.000 33.175  0 753 HOH EEE O   1 ? ?  
HETATM 3700 O  O   . HOH H 7 .   ? 20.150  -25.445 -12.758 1.000 25.274  0 754 HOH EEE O   1 ? ?  
HETATM 3701 O  O   . HOH H 7 .   ? 20.056  -24.312 -4.061  1.000 32.071  0 755 HOH EEE O   1 ? ?  
HETATM 3702 O  O   . HOH H 7 .   ? 24.089  -3.285  -29.210 1.000 42.184  0 756 HOH EEE O   1 ? ?  
HETATM 3703 O  O   . HOH H 7 .   ? 4.210   -12.704 -23.516 1.000 45.371  0 757 HOH EEE O   1 ? ?  
HETATM 3704 O  O   . HOH H 7 .   ? 29.952  -15.047 -15.170 1.000 52.105  0 758 HOH EEE O   1 ? ?  
HETATM 3705 O  O   . HOH H 7 .   ? 32.483  -2.926  -33.012 1.000 29.975  0 759 HOH EEE O   1 ? ?  
HETATM 3706 O  O   . HOH H 7 .   ? 3.971   -34.574 -10.345 1.000 25.050  0 760 HOH EEE O   1 ? ?  
HETATM 3707 O  O   . HOH H 7 .   ? 19.170  -36.865 -24.611 1.000 26.710  0 761 HOH EEE O   1 ? ?  
HETATM 3708 O  O   . HOH H 7 .   ? 11.276  -42.281 -29.436 1.000 23.845  0 762 HOH EEE O   1 ? ?  
HETATM 3709 O  O   . HOH H 7 .   ? 28.538  -33.230 -19.498 1.000 48.457  0 763 HOH EEE O   1 ? ?  
HETATM 3710 O  O   . HOH H 7 .   ? 26.905  -25.208 -11.857 1.000 32.589  0 764 HOH EEE O   1 ? ?  
HETATM 3711 O  O   . HOH H 7 .   ? -0.541  -19.986 -7.180  1.000 36.429  0 765 HOH EEE O   1 ? ?  
HETATM 3712 O  O   . HOH H 7 .   ? 16.415  -38.180 -26.180 1.000 28.656  0 766 HOH EEE O   1 ? ?  
HETATM 3713 O  O   . HOH H 7 .   ? 4.440   -25.152 -22.579 1.000 43.990  0 767 HOH EEE O   1 ? ?  
HETATM 3714 O  O   . HOH H 7 .   ? 8.463   -19.596 -21.333 1.000 25.273  0 768 HOH EEE O   1 ? ?  
HETATM 3715 O  O   . HOH H 7 .   ? 19.682  -48.167 -27.446 1.000 29.531  0 769 HOH EEE O   1 ? ?  
HETATM 3716 O  O   . HOH H 7 .   ? 8.732   -32.534 -2.063  1.000 41.292  0 770 HOH EEE O   1 ? ?  
HETATM 3717 O  O   . HOH H 7 .   ? 6.792   -29.956 -24.415 1.000 29.764  0 771 HOH EEE O   1 ? ?  
HETATM 3718 O  O   . HOH H 7 .   ? 25.353  -55.767 -23.121 1.000 49.634  0 772 HOH EEE O   1 ? ?  
HETATM 3719 O  O   . HOH H 7 .   ? 3.214   -15.530 -14.574 1.000 37.934  0 773 HOH EEE O   1 ? ?  
HETATM 3720 O  O   . HOH H 7 .   ? 8.024   -28.188 -17.457 1.000 20.715  0 774 HOH EEE O   1 ? ?  
HETATM 3721 O  O   . HOH H 7 .   ? 13.515  -28.984 -2.398  1.000 32.584  0 775 HOH EEE O   1 ? ?  
HETATM 3722 O  O   . HOH H 7 .   ? 11.503  -14.559 -0.580  1.000 44.106  0 776 HOH EEE O   1 ? ?  
HETATM 3723 O  O   . HOH H 7 .   ? 22.652  -25.426 -12.205 1.000 30.892  0 777 HOH EEE O   1 ? ?  
HETATM 3724 O  O   . HOH H 7 .   ? 13.710  -10.513 -28.182 1.000 50.560  0 778 HOH EEE O   1 ? ?  
HETATM 3725 O  O   . HOH H 7 .   ? 22.734  -49.381 -15.787 1.000 46.012  0 779 HOH EEE O   1 ? ?  
HETATM 3726 O  O   . HOH H 7 .   ? 7.960   -16.204 -20.280 1.000 28.246  0 780 HOH EEE O   1 ? ?  
HETATM 3727 O  O   . HOH H 7 .   ? 17.450  -40.889 -14.101 1.000 52.552  0 781 HOH EEE O   1 ? ?  
HETATM 3728 O  O   . HOH H 7 .   ? 6.419   -17.858 -21.843 1.000 29.992  0 782 HOH EEE O   1 ? ?  
HETATM 3729 O  O   . HOH H 7 .   ? 18.105  -45.825 -27.654 1.000 38.858  0 783 HOH EEE O   1 ? ?  
HETATM 3730 O  O   . HOH H 7 .   ? 12.775  -21.703 -27.139 1.000 29.913  0 784 HOH EEE O   1 ? ?  
HETATM 3731 O  O   . HOH H 7 .   ? 25.874  -32.389 -22.687 1.000 38.286  0 785 HOH EEE O   1 ? ?  
HETATM 3732 O  O   . HOH H 7 .   ? 19.762  -50.766 -21.745 1.000 27.247  0 786 HOH EEE O   1 ? ?  
HETATM 3733 O  O   . HOH H 7 .   ? 11.397  -16.132 -26.177 1.000 37.058  0 787 HOH EEE O   1 ? ?  
HETATM 3734 O  O   . HOH H 7 .   ? 24.243  -30.485 -15.768 1.000 29.923  0 788 HOH EEE O   1 ? ?  
HETATM 3735 O  O   . HOH H 7 .   ? -3.416  -31.713 -19.863 1.000 32.646  0 789 HOH EEE O   1 ? ?  
HETATM 3736 O  O   . HOH H 7 .   ? -3.744  -24.647 -16.277 1.000 55.602  0 790 HOH EEE O   1 ? ?  
HETATM 3737 O  O   . HOH H 7 .   ? 30.492  -11.589 -11.654 1.000 52.887  0 791 HOH EEE O   1 ? ?  
HETATM 3738 O  O   . HOH H 7 .   ? 13.952  -43.971 -30.116 1.000 25.678  0 792 HOH EEE O   1 ? ?  
HETATM 3739 O  O   . HOH H 7 .   ? 13.030  -26.143 -3.989  1.000 26.520  0 793 HOH EEE O   1 ? ?  
HETATM 3740 O  O   . HOH H 7 .   ? 29.180  -27.823 -12.897 1.000 53.353  0 794 HOH EEE O   1 ? ?  
HETATM 3741 O  O   . HOH H 7 .   ? 29.538  -11.200 -21.692 1.000 38.648  0 795 HOH EEE O   1 ? ?  
HETATM 3742 O  O   . HOH H 7 .   ? 28.355  -15.618 -6.773  1.000 43.636  0 796 HOH EEE O   1 ? ?  
HETATM 3743 O  O   . HOH H 7 .   ? 22.085  -5.620  -28.554 1.000 37.081  0 797 HOH EEE O   1 ? ?  
HETATM 3744 O  O   . HOH H 7 .   ? 11.136  -4.693  0.012   1.000 64.257  0 798 HOH EEE O   1 ? ?  
HETATM 3745 O  O   . HOH H 7 .   ? 31.001  -1.020  -26.393 1.000 55.002  0 799 HOH EEE O   1 ? ?  
HETATM 3746 O  O   . HOH H 7 .   ? 29.103  -3.418  -17.643 1.000 47.267  0 800 HOH EEE O   1 ? ?  
HETATM 3747 O  O   . HOH H 7 .   ? 15.747  -15.747 -28.177 0.500 33.568  0 801 HOH EEE O   1 ? ?  
HETATM 3748 O  O   . HOH H 7 .   ? 20.621  -25.154 -19.571 1.000 25.831  0 802 HOH EEE O   1 ? ?  
HETATM 3749 O  O   . HOH H 7 .   ? 7.507   -37.440 -11.847 1.000 18.872  0 803 HOH EEE O   1 ? ?  
HETATM 3750 O  O   . HOH H 7 .   ? 22.745  -21.124 -4.152  1.000 30.381  0 804 HOH EEE O   1 ? ?  
HETATM 3751 O  O   . HOH H 7 .   ? 4.503   -11.781 -12.629 1.000 41.499  0 805 HOH EEE O   1 ? ?  
HETATM 3752 O  O   . HOH H 7 .   ? 4.488   -37.160 -12.593 1.000 37.052  0 806 HOH EEE O   1 ? ?  
HETATM 3753 O  O   . HOH H 7 .   ? 15.594  -37.351 -8.519  1.000 52.808  0 807 HOH EEE O   1 ? ?  
HETATM 3754 O  O   . HOH H 7 .   ? 2.019   -17.571 -23.532 1.000 41.114  0 808 HOH EEE O   1 ? ?  
HETATM 3755 O  O   . HOH H 7 .   ? 12.897  -2.564  -15.843 1.000 54.318  0 809 HOH EEE O   1 ? ?  
HETATM 3756 O  O   . HOH H 7 .   ? 10.920  -32.602 -29.542 1.000 36.462  0 810 HOH EEE O   1 ? ?  
HETATM 3757 O  O   . HOH H 7 .   ? 2.734   -7.266  -18.086 1.000 41.411  0 811 HOH EEE O   1 ? ?  
HETATM 3758 O  O   . HOH H 7 .   ? 23.727  -16.340 -21.049 1.000 42.945  0 812 HOH EEE O   1 ? ?  
HETATM 3759 O  O   . HOH H 7 .   ? 12.154  -55.735 -21.079 1.000 30.530  0 813 HOH EEE O   1 ? ?  
HETATM 3760 O  O   . HOH H 7 .   ? 19.921  -40.775 -16.600 1.000 29.492  0 814 HOH EEE O   1 ? ?  
HETATM 3761 O  O   . HOH H 7 .   ? 6.560   -20.373 -2.052  1.000 30.010  0 815 HOH EEE O   1 ? ?  
HETATM 3762 O  O   . HOH H 7 .   ? 30.377  -24.535 -15.101 1.000 36.702  0 816 HOH EEE O   1 ? ?  
HETATM 3763 O  O   . HOH H 7 .   ? 13.397  -54.449 -32.055 1.000 47.911  0 817 HOH EEE O   1 ? ?  
HETATM 3764 O  O   . HOH H 7 .   ? 25.806  -30.758 -13.674 1.000 38.393  0 818 HOH EEE O   1 ? ?  
HETATM 3765 O  O   . HOH H 7 .   ? 23.951  -18.317 -22.474 1.000 35.691  0 819 HOH EEE O   1 ? ?  
HETATM 3766 O  O   . HOH H 7 .   ? 19.844  -37.463 -27.670 1.000 46.303  0 820 HOH EEE O   1 ? ?  
HETATM 3767 O  O   . HOH H 7 .   ? 15.850  -21.441 -25.649 1.000 31.441  0 821 HOH EEE O   1 ? ?  
HETATM 3768 O  O   . HOH H 7 .   ? 18.007  -31.168 -28.898 1.000 27.739  0 822 HOH EEE O   1 ? ?  
HETATM 3769 O  O   . HOH H 7 .   ? 1.523   -28.262 0.769   1.000 37.935  0 823 HOH EEE O   1 ? ?  
HETATM 3770 O  O   . HOH H 7 .   ? 21.654  -26.187 -26.750 1.000 29.493  0 824 HOH EEE O   1 ? ?  
HETATM 3771 O  O   . HOH H 7 .   ? 17.321  -26.599 -28.521 1.000 29.515  0 825 HOH EEE O   1 ? ?  
HETATM 3772 O  O   . HOH H 7 .   ? 23.912  -53.179 -18.228 1.000 42.999  0 826 HOH EEE O   1 ? ?  
HETATM 3773 O  O   . HOH H 7 .   ? 28.032  -36.203 -17.360 1.000 38.295  0 827 HOH EEE O   1 ? ?  
HETATM 3774 O  O   . HOH H 7 .   ? 5.476   -5.771  -3.964  1.000 46.613  0 828 HOH EEE O   1 ? ?  
HETATM 3775 O  O   . HOH H 7 .   ? 1.475   -14.421 -23.264 1.000 45.666  0 829 HOH EEE O   1 ? ?  
HETATM 3776 O  O   . HOH H 7 .   ? 32.640  -8.882  -28.665 1.000 23.612  0 830 HOH EEE O   1 ? ?  
HETATM 3777 O  O   . HOH H 7 .   ? 1.947   -37.291 -14.871 1.000 44.763  0 831 HOH EEE O   1 ? ?  
HETATM 3778 O  O   . HOH H 7 .   ? 20.965  -38.915 -23.697 1.000 35.348  0 832 HOH EEE O   1 ? ?  
HETATM 3779 O  O   . HOH H 7 .   ? -7.394  -31.219 -7.916  1.000 36.415  0 833 HOH EEE O   1 ? ?  
HETATM 3780 O  O   . HOH H 7 .   ? 25.652  -49.776 -26.129 1.000 50.681  0 834 HOH EEE O   1 ? ?  
HETATM 3781 O  O   . HOH H 7 .   ? 3.790   -4.877  -17.634 1.000 57.664  0 835 HOH EEE O   1 ? ?  
HETATM 3782 O  O   . HOH H 7 .   ? 20.634  -43.608 -24.514 1.000 33.635  0 836 HOH EEE O   1 ? ?  
HETATM 3783 O  O   . HOH H 7 .   ? -3.008  -27.872 -2.335  1.000 49.371  0 837 HOH EEE O   1 ? ?  
HETATM 3784 O  O   . HOH H 7 .   ? 14.982  -36.939 -31.101 1.000 26.189  0 838 HOH EEE O   1 ? ?  
HETATM 3785 O  O   . HOH H 7 .   ? 27.291  -29.240 -10.396 1.000 60.613  0 839 HOH EEE O   1 ? ?  
HETATM 3786 O  O   . HOH H 7 .   ? 19.424  -49.300 -30.026 1.000 30.165  0 840 HOH EEE O   1 ? ?  
HETATM 3787 O  O   . HOH H 7 .   ? 21.874  -17.019 -26.730 1.000 34.313  0 841 HOH EEE O   1 ? ?  
HETATM 3788 O  O   . HOH H 7 .   ? 1.296   -33.843 -3.950  1.000 30.561  0 842 HOH EEE O   1 ? ?  
HETATM 3789 O  O   . HOH H 7 .   ? -2.897  -22.579 -4.663  1.000 45.796  0 843 HOH EEE O   1 ? ?  
HETATM 3790 O  O   . HOH H 7 .   ? 22.660  -30.386 -5.038  1.000 36.743  0 844 HOH EEE O   1 ? ?  
HETATM 3791 O  O   . HOH H 7 .   ? -1.272  -24.952 -1.273  1.000 54.771  0 845 HOH EEE O   1 ? ?  
HETATM 3792 O  O   . HOH H 7 .   ? 11.856  -51.854 -33.228 1.000 44.746  0 846 HOH EEE O   1 ? ?  
HETATM 3793 O  O   . HOH H 7 .   ? 10.162  -49.309 -19.992 1.000 20.454  0 847 HOH EEE O   1 ? ?  
HETATM 3794 O  O   . HOH H 7 .   ? 21.449  -31.743 -26.383 1.000 46.490  0 848 HOH EEE O   1 ? ?  
HETATM 3795 O  O   . HOH H 7 .   ? -9.124  -26.626 -13.439 1.000 40.570  0 849 HOH EEE O   1 ? ?  
HETATM 3796 O  O   . HOH H 7 .   ? 13.147  -3.259  -25.743 1.000 46.751  0 850 HOH EEE O   1 ? ?  
HETATM 3797 O  O   . HOH H 7 .   ? 15.641  -30.812 -2.499  1.000 37.740  0 851 HOH EEE O   1 ? ?  
HETATM 3798 O  O   . HOH H 7 .   ? 23.690  -43.751 -20.015 1.000 53.890  0 852 HOH EEE O   1 ? ?  
HETATM 3799 O  O   . HOH H 7 .   ? 28.565  -0.395  -17.160 1.000 40.771  0 853 HOH EEE O   1 ? ?  
HETATM 3800 O  O   . HOH H 7 .   ? 7.017   -26.736 -23.915 1.000 32.621  0 854 HOH EEE O   1 ? ?  
HETATM 3801 O  O   . HOH H 7 .   ? -0.151  -25.279 -19.924 1.000 30.228  0 855 HOH EEE O   1 ? ?  
HETATM 3802 O  O   . HOH H 7 .   ? 4.623   -31.191 -0.717  1.000 30.931  0 856 HOH EEE O   1 ? ?  
HETATM 3803 O  O   . HOH H 7 .   ? 27.011  -16.364 -16.416 1.000 33.009  0 857 HOH EEE O   1 ? ?  
HETATM 3804 O  O   . HOH H 7 .   ? 13.926  -5.732  -25.448 1.000 39.038  0 858 HOH EEE O   1 ? ?  
HETATM 3805 O  O   . HOH H 7 .   ? 16.472  -47.211 -29.584 1.000 28.783  0 859 HOH EEE O   1 ? ?  
HETATM 3806 O  O   . HOH H 7 .   ? 20.792  -52.996 -20.267 1.000 38.604  0 860 HOH EEE O   1 ? ?  
HETATM 3807 O  O   . HOH H 7 .   ? 20.305  -32.558 -28.207 1.000 53.240  0 861 HOH EEE O   1 ? ?  
HETATM 3808 O  O   . HOH H 7 .   ? 28.377  -31.996 -15.028 1.000 57.422  0 862 HOH EEE O   1 ? ?  
HETATM 3809 O  O   . HOH H 7 .   ? 8.089   -14.739 -23.255 1.000 52.121  0 863 HOH EEE O   1 ? ?  
HETATM 3810 O  O   . HOH H 7 .   ? 23.824  -9.859  -30.408 1.000 35.993  0 864 HOH EEE O   1 ? ?  
HETATM 3811 O  O   . HOH H 7 .   ? 19.898  -34.410 -6.090  1.000 58.440  0 865 HOH EEE O   1 ? ?  
HETATM 3812 O  O   . HOH H 7 .   ? 6.193   -5.789  -21.185 1.000 42.088  0 866 HOH EEE O   1 ? ?  
HETATM 3813 O  O   . HOH H 7 .   ? 3.656   -7.256  -20.851 1.000 56.605  0 867 HOH EEE O   1 ? ?  
HETATM 3814 O  O   . HOH H 7 .   ? 2.692   -25.450 -21.329 1.000 46.419  0 868 HOH EEE O   1 ? ?  
HETATM 3815 O  O   . HOH H 7 .   ? 28.138  -11.801 -17.174 1.000 46.133  0 869 HOH EEE O   1 ? ?  
HETATM 3816 O  O   . HOH H 7 .   ? 18.778  -37.222 -9.305  1.000 55.342  0 870 HOH EEE O   1 ? ?  
HETATM 3817 O  O   . HOH H 7 .   ? 15.430  -42.293 -11.984 1.000 37.506  0 871 HOH EEE O   1 ? ?  
HETATM 3818 O  O   . HOH H 7 .   ? 8.412   -12.043 -26.259 1.000 60.713  0 872 HOH EEE O   1 ? ?  
HETATM 3819 O  O   . HOH H 7 .   ? 31.166  -0.383  -29.124 1.000 49.389  0 873 HOH EEE O   1 ? ?  
HETATM 3820 O  O   . HOH H 7 .   ? 21.167  -32.280 -3.259  1.000 56.359  0 874 HOH EEE O   1 ? ?  
HETATM 3821 O  O   . HOH H 7 .   ? 22.653  -41.912 -14.369 1.000 58.560  0 875 HOH EEE O   1 ? ?  
HETATM 3822 O  O   . HOH H 7 .   ? 20.385  1.876   -7.324  1.000 45.216  0 876 HOH EEE O   1 ? ?  
HETATM 3823 O  O   . HOH H 7 .   ? 24.817  -45.505 -24.496 1.000 60.459  0 877 HOH EEE O   1 ? ?  
HETATM 3824 O  O   . HOH H 7 .   ? 0.871   -14.086 -14.191 1.000 45.505  0 878 HOH EEE O   1 ? ?  
HETATM 3825 O  O   . HOH H 7 .   ? 16.607  -23.960 -30.757 1.000 38.217  0 879 HOH EEE O   1 ? ?  
HETATM 3826 O  O   . HOH H 7 .   ? 17.090  -32.811 -31.148 1.000 36.726  0 880 HOH EEE O   1 ? ?  
HETATM 3827 O  O   . HOH H 7 .   ? 2.940   -33.699 -1.365  1.000 42.879  0 881 HOH EEE O   1 ? ?  
HETATM 3828 O  O   . HOH H 7 .   ? 5.496   -16.934 -24.289 1.000 40.299  0 882 HOH EEE O   1 ? ?  
HETATM 3829 O  O   . HOH H 7 .   ? 21.504  -5.910  -31.888 1.000 44.769  0 883 HOH EEE O   1 ? ?  
HETATM 3830 O  O   . HOH H 7 .   ? 19.827  -41.044 -25.007 1.000 30.653  0 884 HOH EEE O   1 ? ?  
HETATM 3831 O  O   . HOH H 7 .   ? 19.361  -13.673 -29.428 1.000 32.643  0 885 HOH EEE O   1 ? ?  
HETATM 3832 O  O   . HOH H 7 .   ? 21.453  -44.521 -26.952 1.000 44.899  0 886 HOH EEE O   1 ? ?  
HETATM 3833 O  O   . HOH H 7 .   ? 14.461  -34.247 -32.018 1.000 51.737  0 887 HOH EEE O   1 ? ?  
HETATM 3834 O  O   . HOH H 7 .   ? 19.126  -44.963 -15.243 1.000 45.319  0 888 HOH EEE O   1 ? ?  
HETATM 3835 O  O   . HOH H 7 .   ? 10.236  -15.955 -23.932 1.000 33.800  0 889 HOH EEE O   1 ? ?  
HETATM 3836 O  O   . HOH H 7 .   ? 19.321  -41.295 -29.688 1.000 48.961  0 890 HOH EEE O   1 ? ?  
HETATM 3837 O  O   . HOH H 7 .   ? -3.658  -37.088 -6.534  1.000 32.082  0 891 HOH EEE O   1 ? ?  
HETATM 3838 O  O   . HOH H 7 .   ? 17.636  -37.753 -31.565 1.000 50.635  0 892 HOH EEE O   1 ? ?  
HETATM 3839 O  O   . HOH H 7 .   ? 18.320  -15.229 -27.637 1.000 31.677  0 893 HOH EEE O   1 ? ?  
HETATM 3840 O  O   . HOH H 7 .   ? 11.263  -31.314 -31.747 1.000 42.658  0 894 HOH EEE O   1 ? ?  
HETATM 3841 O  O   . HOH H 7 .   ? 9.932   -0.907  -5.616  1.000 51.052  0 895 HOH EEE O   1 ? ?  
HETATM 3842 O  O   . HOH H 7 .   ? 9.230   -30.220 -0.684  1.000 39.611  0 896 HOH EEE O   1 ? ?  
HETATM 3843 O  O   . HOH H 7 .   ? 24.846  2.267   -6.289  1.000 63.733  0 897 HOH EEE O   1 ? ?  
HETATM 3844 O  O   . HOH H 7 .   ? 14.627  -27.119 -32.368 1.000 33.756  0 898 HOH EEE O   1 ? ?  
HETATM 3845 O  O   . HOH H 7 .   ? 29.966  -28.688 -18.084 1.000 56.355  0 899 HOH EEE O   1 ? ?  
HETATM 3846 O  O   . HOH H 7 .   ? -9.715  -29.973 -6.980  1.000 47.164  0 900 HOH EEE O   1 ? ?  
HETATM 3847 O  O   . HOH H 7 .   ? -0.750  -35.605 -3.870  1.000 55.154  0 901 HOH EEE O   1 ? ?  
HETATM 3848 O  O   . HOH H 7 .   ? 28.869  -21.299 -19.303 1.000 53.058  0 902 HOH EEE O   1 ? ?  
HETATM 3849 O  O   . HOH H 7 .   ? 18.654  -34.817 -31.639 1.000 57.013  0 903 HOH EEE O   1 ? ?  
HETATM 3850 O  O   . HOH H 7 .   ? 20.227  -40.579 -27.632 1.000 46.004  0 904 HOH EEE O   1 ? ?  
HETATM 3851 O  O   . HOH H 7 .   ? -9.403  -27.400 -6.328  1.000 59.830  0 905 HOH EEE O   1 ? ?  
HETATM 3852 O  O   . HOH H 7 .   ? 21.270  -19.104 -30.386 1.000 54.828  0 906 HOH EEE O   1 ? ?  
HETATM 3853 O  O   . HOH I 7 .   ? -12.402 -47.271 -23.051 1.000 59.340  0 301 HOH FFF O   1 ? ?  
HETATM 3854 O  O   . HOH I 7 .   ? -10.000 -59.852 -41.125 1.000 48.283  0 302 HOH FFF O   1 ? ?  
HETATM 3855 O  O   . HOH I 7 .   ? -14.234 -42.845 -30.066 1.000 39.912  0 303 HOH FFF O   1 ? ?  
HETATM 3856 O  O   . HOH I 7 .   ? -12.985 -39.896 -31.968 1.000 48.513  0 304 HOH FFF O   1 ? ?  
HETATM 3857 O  O   . HOH I 7 .   ? -8.457  -51.483 -12.325 1.000 47.548  0 305 HOH FFF O   1 ? ?  
HETATM 3858 O  O   . HOH I 7 .   ? -15.306 -54.025 -25.159 1.000 38.971  0 306 HOH FFF O   1 ? ?  
HETATM 3859 O  O   . HOH I 7 .   ? -12.282 -51.083 -18.389 1.000 42.079  0 307 HOH FFF O   1 ? ?  
HETATM 3860 O  O   . HOH I 7 .   ? -6.381  -36.971 -37.979 1.000 32.771  0 308 HOH FFF O   1 ? ?  
HETATM 3861 O  O   . HOH I 7 .   ? 3.640   -59.710 -15.885 1.000 39.009  0 309 HOH FFF O   1 ? ?  
HETATM 3862 O  O   . HOH I 7 .   ? -17.943 -59.114 -30.825 1.000 42.797  0 310 HOH FFF O   1 ? ?  
HETATM 3863 O  O   . HOH I 7 .   ? -1.565  -54.676 -19.892 1.000 37.863  0 311 HOH FFF O   1 ? ?  
HETATM 3864 O  O   . HOH I 7 .   ? -16.580 -59.881 -27.336 1.000 37.950  0 312 HOH FFF O   1 ? ?  
HETATM 3865 O  O   . HOH I 7 .   ? 6.443   -39.282 -43.861 1.000 49.168  0 313 HOH FFF O   1 ? ?  
HETATM 3866 O  O   . HOH I 7 .   ? -9.797  -40.409 -18.438 1.000 47.683  0 314 HOH FFF O   1 ? ?  
HETATM 3867 O  O   . HOH I 7 .   ? 1.179   -42.225 -32.548 1.000 25.920  0 315 HOH FFF O   1 ? ?  
HETATM 3868 O  O   . HOH I 7 .   ? 8.087   -52.283 -35.077 1.000 42.041  0 316 HOH FFF O   1 ? ?  
HETATM 3869 O  O   . HOH I 7 .   ? -7.036  -58.373 -40.267 1.000 48.955  0 317 HOH FFF O   1 ? ?  
HETATM 3870 O  O   . HOH I 7 .   ? 8.354   -41.731 -42.378 1.000 46.310  0 318 HOH FFF O   1 ? ?  
HETATM 3871 O  O   . HOH I 7 .   ? -8.577  -38.634 -38.506 1.000 38.410  0 319 HOH FFF O   1 ? ?  
HETATM 3872 O  O   . HOH I 7 .   ? 8.748   -53.583 -32.128 1.000 46.154  0 320 HOH FFF O   1 ? ?  
HETATM 3873 O  O   . HOH I 7 .   ? -8.001  -54.219 -42.316 1.000 25.353  0 321 HOH FFF O   1 ? ?  
HETATM 3874 O  O   . HOH I 7 .   ? -10.748 -64.071 -23.801 1.000 46.521  0 322 HOH FFF O   1 ? ?  
HETATM 3875 O  O   . HOH I 7 .   ? -7.771  -61.276 -24.273 1.000 35.045  0 323 HOH FFF O   1 ? ?  
HETATM 3876 O  O   . HOH I 7 .   ? -5.418  -40.345 -16.602 1.000 32.904  0 324 HOH FFF O   1 ? ?  
HETATM 3877 O  O   . HOH I 7 .   ? 8.143   -56.113 -18.159 1.000 24.772  0 325 HOH FFF O   1 ? ?  
HETATM 3878 O  O   . HOH I 7 .   ? 5.339   -58.981 -36.450 1.000 40.646  0 326 HOH FFF O   1 ? ?  
HETATM 3879 O  O   . HOH I 7 .   ? -14.777 -47.285 -29.334 1.000 29.509  0 327 HOH FFF O   1 ? ?  
HETATM 3880 O  O   . HOH I 7 .   ? 1.502   -66.846 -36.092 1.000 37.893  0 328 HOH FFF O   1 ? ?  
HETATM 3881 O  O   . HOH I 7 .   ? -2.113  -57.213 -22.813 1.000 35.430  0 329 HOH FFF O   1 ? ?  
HETATM 3882 O  O   . HOH I 7 .   ? -15.383 -64.480 -29.676 1.000 48.611  0 330 HOH FFF O   1 ? ?  
HETATM 3883 O  O   . HOH I 7 .   ? -0.432  -64.349 -22.778 1.000 49.252  0 331 HOH FFF O   1 ? ?  
HETATM 3884 O  O   . HOH I 7 .   ? 7.642   -46.915 -41.704 1.000 32.910  0 332 HOH FFF O   1 ? ?  
HETATM 3885 O  O   . HOH I 7 .   ? 1.155   -38.422 -38.584 1.000 25.958  0 333 HOH FFF O   1 ? ?  
HETATM 3886 O  O   . HOH I 7 .   ? -13.536 -49.418 -20.500 1.000 58.535  0 334 HOH FFF O   1 ? ?  
HETATM 3887 O  O   . HOH I 7 .   ? 7.124   -57.658 -29.245 1.000 32.802  0 335 HOH FFF O   1 ? ?  
HETATM 3888 O  O   . HOH I 7 .   ? 0.646   -58.542 -39.992 1.000 39.884  0 336 HOH FFF O   1 ? ?  
HETATM 3889 O  O   . HOH I 7 .   ? 0.484   -58.361 -19.463 1.000 34.729  0 337 HOH FFF O   1 ? ?  
HETATM 3890 O  O   . HOH I 7 .   ? -4.559  -34.490 -34.660 1.000 38.098  0 338 HOH FFF O   1 ? ?  
HETATM 3891 O  O   . HOH I 7 .   ? -17.028 -50.439 -26.911 1.000 56.384  0 339 HOH FFF O   1 ? ?  
HETATM 3892 O  O   . HOH I 7 .   ? -1.905  -39.497 -38.443 1.000 24.604  0 340 HOH FFF O   1 ? ?  
HETATM 3893 O  O   . HOH I 7 .   ? -4.835  -38.206 -23.379 1.000 26.380  0 341 HOH FFF O   1 ? ?  
HETATM 3894 O  O   . HOH I 7 .   ? -5.692  -54.708 -40.839 1.000 21.940  0 342 HOH FFF O   1 ? ?  
HETATM 3895 O  O   . HOH I 7 .   ? 0.834   -48.573 -45.301 1.000 37.288  0 343 HOH FFF O   1 ? ?  
HETATM 3896 O  O   . HOH I 7 .   ? -6.291  -50.019 -18.677 1.000 31.794  0 344 HOH FFF O   1 ? ?  
HETATM 3897 O  O   . HOH I 7 .   ? -1.400  -43.038 -46.623 1.000 23.980  0 345 HOH FFF O   1 ? ?  
HETATM 3898 O  O   . HOH I 7 .   ? -14.348 -47.166 -26.538 1.000 35.873  0 346 HOH FFF O   1 ? ?  
HETATM 3899 O  O   . HOH I 7 .   ? 3.715   -63.850 -25.041 1.000 47.409  0 347 HOH FFF O   1 ? ?  
HETATM 3900 O  O   . HOH I 7 .   ? 3.028   -32.781 -34.853 1.000 53.438  0 348 HOH FFF O   1 ? ?  
HETATM 3901 O  O   . HOH I 7 .   ? 1.628   -38.304 -26.587 1.000 21.892  0 349 HOH FFF O   1 ? ?  
HETATM 3902 O  O   . HOH I 7 .   ? -15.467 -57.130 -24.687 1.000 46.765  0 350 HOH FFF O   1 ? ?  
HETATM 3903 O  O   . HOH I 7 .   ? -11.833 -41.970 -33.021 1.000 33.732  0 351 HOH FFF O   1 ? ?  
HETATM 3904 O  O   . HOH I 7 .   ? 4.042   -34.074 -30.515 1.000 31.214  0 352 HOH FFF O   1 ? ?  
HETATM 3905 O  O   . HOH I 7 .   ? -8.177  -37.714 -27.604 1.000 34.118  0 353 HOH FFF O   1 ? ?  
HETATM 3906 O  O   . HOH I 7 .   ? 10.578  -38.975 -35.630 1.000 51.502  0 354 HOH FFF O   1 ? ?  
HETATM 3907 O  O   . HOH I 7 .   ? -12.812 -46.859 -35.999 1.000 24.666  0 355 HOH FFF O   1 ? ?  
HETATM 3908 O  O   . HOH I 7 .   ? 9.060   -55.192 -21.717 1.000 29.366  0 356 HOH FFF O   1 ? ?  
HETATM 3909 O  O   . HOH I 7 .   ? 6.717   -56.524 -21.673 1.000 25.375  0 357 HOH FFF O   1 ? ?  
HETATM 3910 O  O   . HOH I 7 .   ? -13.019 -49.746 -40.615 1.000 28.614  0 358 HOH FFF O   1 ? ?  
HETATM 3911 O  O   . HOH I 7 .   ? -3.361  -43.857 -15.601 1.000 31.470  0 359 HOH FFF O   1 ? ?  
HETATM 3912 O  O   . HOH I 7 .   ? 8.969   -34.878 -31.778 1.000 46.641  0 360 HOH FFF O   1 ? ?  
HETATM 3913 O  O   . HOH I 7 .   ? 7.164   -64.129 -26.200 1.000 55.387  0 361 HOH FFF O   1 ? ?  
HETATM 3914 O  O   . HOH I 7 .   ? -10.465 -43.353 -21.638 1.000 32.205  0 362 HOH FFF O   1 ? ?  
HETATM 3915 O  O   . HOH I 7 .   ? -9.788  -57.859 -20.900 1.000 35.965  0 363 HOH FFF O   1 ? ?  
HETATM 3916 O  O   . HOH I 7 .   ? 12.981  -54.089 -24.404 1.000 44.305  0 364 HOH FFF O   1 ? ?  
HETATM 3917 O  O   . HOH I 7 .   ? 6.410   -44.281 -39.362 1.000 25.319  0 365 HOH FFF O   1 ? ?  
HETATM 3918 O  O   . HOH I 7 .   ? 6.776   -36.640 -34.933 1.000 44.032  0 366 HOH FFF O   1 ? ?  
HETATM 3919 O  O   . HOH I 7 .   ? -2.460  -63.006 -23.855 1.000 33.999  0 367 HOH FFF O   1 ? ?  
HETATM 3920 O  O   . HOH I 7 .   ? -13.080 -51.468 -36.103 1.000 36.201  0 368 HOH FFF O   1 ? ?  
HETATM 3921 O  O   . HOH I 7 .   ? -13.459 -43.482 -34.265 1.000 46.920  0 369 HOH FFF O   1 ? ?  
HETATM 3922 O  O   . HOH I 7 .   ? -3.519  -61.077 -20.768 1.000 61.668  0 370 HOH FFF O   1 ? ?  
HETATM 3923 O  O   . HOH I 7 .   ? 0.553   -39.037 -13.278 1.000 42.179  0 371 HOH FFF O   1 ? ?  
HETATM 3924 O  O   . HOH I 7 .   ? 8.610   -53.654 -19.344 1.000 22.851  0 372 HOH FFF O   1 ? ?  
HETATM 3925 O  O   . HOH I 7 .   ? 7.853   -46.037 -37.679 1.000 27.805  0 373 HOH FFF O   1 ? ?  
HETATM 3926 O  O   . HOH I 7 .   ? 4.454   -38.030 -43.504 1.000 41.240  0 374 HOH FFF O   1 ? ?  
HETATM 3927 O  O   . HOH I 7 .   ? 6.336   -54.836 -37.200 1.000 43.954  0 375 HOH FFF O   1 ? ?  
HETATM 3928 O  O   . HOH I 7 .   ? -6.330  -38.466 -26.184 1.000 44.601  0 376 HOH FFF O   1 ? ?  
HETATM 3929 O  O   . HOH I 7 .   ? 8.416   -42.373 -38.653 1.000 39.605  0 377 HOH FFF O   1 ? ?  
HETATM 3930 O  O   . HOH I 7 .   ? 13.875  -47.200 -33.649 1.000 45.403  0 378 HOH FFF O   1 ? ?  
HETATM 3931 O  O   . HOH I 7 .   ? 3.649   -41.458 -14.782 1.000 24.225  0 379 HOH FFF O   1 ? ?  
HETATM 3932 O  O   . HOH I 7 .   ? 9.533   -48.280 -34.476 1.000 34.707  0 380 HOH FFF O   1 ? ?  
HETATM 3933 O  O   . HOH I 7 .   ? -2.631  -32.834 -40.053 1.000 51.063  0 381 HOH FFF O   1 ? ?  
HETATM 3934 O  O   . HOH I 7 .   ? 7.249   -38.907 -36.291 1.000 35.995  0 382 HOH FFF O   1 ? ?  
HETATM 3935 O  O   . HOH I 7 .   ? 10.387  -42.718 -36.870 1.000 39.365  0 383 HOH FFF O   1 ? ?  
HETATM 3936 O  O   . HOH I 7 .   ? -14.543 -63.193 -34.481 1.000 45.686  0 384 HOH FFF O   1 ? ?  
HETATM 3937 O  O   . HOH I 7 .   ? 7.300   -48.830 -37.976 1.000 24.134  0 385 HOH FFF O   1 ? ?  
HETATM 3938 O  O   . HOH I 7 .   ? 1.447   -54.673 -43.011 1.000 37.445  0 386 HOH FFF O   1 ? ?  
HETATM 3939 O  O   . HOH I 7 .   ? 2.485   -55.925 -18.600 1.000 27.911  0 387 HOH FFF O   1 ? ?  
HETATM 3940 O  O   . HOH I 7 .   ? -11.224 -36.275 -37.198 1.000 40.676  0 388 HOH FFF O   1 ? ?  
HETATM 3941 O  O   . HOH I 7 .   ? -12.148 -39.180 -26.368 1.000 43.100  0 389 HOH FFF O   1 ? ?  
HETATM 3942 O  O   . HOH I 7 .   ? 3.078   -43.532 -33.715 1.000 29.029  0 390 HOH FFF O   1 ? ?  
HETATM 3943 O  O   . HOH I 7 .   ? 4.320   -50.455 -41.422 1.000 23.939  0 391 HOH FFF O   1 ? ?  
HETATM 3944 O  O   . HOH I 7 .   ? -12.077 -55.331 -41.079 1.000 41.034  0 392 HOH FFF O   1 ? ?  
HETATM 3945 O  O   . HOH I 7 .   ? -14.229 -61.328 -26.685 1.000 33.825  0 393 HOH FFF O   1 ? ?  
HETATM 3946 O  O   . HOH I 7 .   ? -0.425  -51.260 -18.292 1.000 36.143  0 394 HOH FFF O   1 ? ?  
HETATM 3947 O  O   . HOH I 7 .   ? 4.065   -33.586 -37.147 1.000 55.927  0 395 HOH FFF O   1 ? ?  
HETATM 3948 O  O   . HOH I 7 .   ? -13.214 -53.489 -37.586 1.000 43.525  0 396 HOH FFF O   1 ? ?  
HETATM 3949 O  O   . HOH I 7 .   ? -2.967  -67.269 -39.722 1.000 43.949  0 397 HOH FFF O   1 ? ?  
HETATM 3950 O  O   . HOH I 7 .   ? 0.473   -60.624 -37.981 1.000 43.200  0 398 HOH FFF O   1 ? ?  
HETATM 3951 O  O   . HOH I 7 .   ? -2.160  -33.273 -34.868 1.000 46.158  0 399 HOH FFF O   1 ? ?  
HETATM 3952 O  O   . HOH I 7 .   ? 1.045   -50.323 -19.450 1.000 41.744  0 400 HOH FFF O   1 ? ?  
HETATM 3953 O  O   . HOH I 7 .   ? -13.333 -63.677 -39.585 1.000 41.658  0 401 HOH FFF O   1 ? ?  
HETATM 3954 O  O   . HOH I 7 .   ? 0.349   -32.621 -23.880 1.000 44.696  0 402 HOH FFF O   1 ? ?  
HETATM 3955 O  O   . HOH I 7 .   ? -14.778 -44.485 -37.234 1.000 34.203  0 403 HOH FFF O   1 ? ?  
HETATM 3956 O  O   . HOH I 7 .   ? -16.618 -49.566 -30.023 1.000 30.204  0 404 HOH FFF O   1 ? ?  
HETATM 3957 O  O   . HOH I 7 .   ? -1.558  -32.817 -22.172 1.000 45.067  0 405 HOH FFF O   1 ? ?  
HETATM 3958 O  O   . HOH I 7 .   ? -7.779  -59.673 -21.923 1.000 45.734  0 406 HOH FFF O   1 ? ?  
HETATM 3959 O  O   . HOH I 7 .   ? -3.699  -51.737 -18.471 1.000 35.056  0 407 HOH FFF O   1 ? ?  
HETATM 3960 O  O   . HOH I 7 .   ? 7.356   -49.839 -40.621 1.000 45.300  0 408 HOH FFF O   1 ? ?  
HETATM 3961 O  O   . HOH I 7 .   ? -8.247  -64.736 -40.574 1.000 66.400  0 409 HOH FFF O   1 ? ?  
HETATM 3962 O  O   . HOH I 7 .   ? -8.057  -46.651 -16.232 1.000 40.815  0 410 HOH FFF O   1 ? ?  
HETATM 3963 O  O   . HOH I 7 .   ? -6.821  -69.351 -39.276 1.000 53.385  0 411 HOH FFF O   1 ? ?  
HETATM 3964 O  O   . HOH I 7 .   ? -12.182 -41.636 -23.285 1.000 46.239  0 412 HOH FFF O   1 ? ?  
HETATM 3965 O  O   . HOH I 7 .   ? -4.318  -59.549 -41.747 1.000 50.640  0 413 HOH FFF O   1 ? ?  
HETATM 3966 O  O   . HOH I 7 .   ? 1.881   -62.254 -18.830 1.000 48.477  0 414 HOH FFF O   1 ? ?  
HETATM 3967 O  O   . HOH I 7 .   ? -13.650 -41.634 -27.555 1.000 35.423  0 415 HOH FFF O   1 ? ?  
HETATM 3968 O  O   . HOH I 7 .   ? -10.380 -40.008 -40.323 1.000 40.050  0 416 HOH FFF O   1 ? ?  
HETATM 3969 O  O   . HOH I 7 .   ? 4.656   -42.632 -47.830 1.000 34.037  0 417 HOH FFF O   1 ? ?  
HETATM 3970 O  O   . HOH I 7 .   ? 5.687   -40.519 -46.851 1.000 52.209  0 418 HOH FFF O   1 ? ?  
HETATM 3971 O  O   . HOH I 7 .   ? 3.266   -53.323 -42.207 1.000 51.051  0 419 HOH FFF O   1 ? ?  
HETATM 3972 O  O   . HOH I 7 .   ? 10.662  -59.488 -27.376 1.000 44.840  0 420 HOH FFF O   1 ? ?  
HETATM 3973 O  O   . HOH I 7 .   ? 8.491   -50.048 -36.003 1.000 42.905  0 421 HOH FFF O   1 ? ?  
HETATM 3974 O  O   . HOH I 7 .   ? -4.605  -33.762 -42.902 1.000 46.286  0 422 HOH FFF O   1 ? ?  
HETATM 3975 O  O   . HOH I 7 .   ? 8.995   -36.742 -33.649 1.000 43.736  0 423 HOH FFF O   1 ? ?  
HETATM 3976 O  O   . HOH I 7 .   ? -16.921 -56.415 -22.592 1.000 62.752  0 424 HOH FFF O   1 ? ?  
HETATM 3977 O  O   . HOH I 7 .   ? 4.350   -59.278 -38.985 1.000 46.729  0 425 HOH FFF O   1 ? ?  
HETATM 3978 O  O   . HOH I 7 .   ? 4.991   -32.896 -32.530 1.000 49.541  0 426 HOH FFF O   1 ? ?  
HETATM 3979 O  O   . HOH I 7 .   ? 8.415   -59.562 -20.902 1.000 48.256  0 427 HOH FFF O   1 ? ?  
HETATM 3980 O  O   . HOH I 7 .   ? 4.593   -57.344 -41.679 1.000 59.684  0 428 HOH FFF O   1 ? ?  
HETATM 3981 O  O   . HOH I 7 .   ? -1.815  -57.154 -19.330 1.000 58.577  0 429 HOH FFF O   1 ? ?  
HETATM 3982 O  O   . HOH I 7 .   ? 10.363  -61.061 -25.565 1.000 53.119  0 430 HOH FFF O   1 ? ?  
HETATM 3983 O  O   . HOH I 7 .   ? 10.458  -46.012 -38.720 1.000 56.824  0 431 HOH FFF O   1 ? ?  
HETATM 3984 O  O   . HOH I 7 .   ? -6.580  -35.165 -28.872 1.000 55.851  0 432 HOH FFF O   1 ? ?  
HETATM 3985 O  O   . HOH I 7 .   ? 13.049  -55.982 -27.507 1.000 51.400  0 433 HOH FFF O   1 ? ?  
HETATM 3986 O  O   . HOH I 7 .   ? 9.609   -56.753 -28.696 1.000 45.952  0 434 HOH FFF O   1 ? ?  
HETATM 3987 O  O   . HOH I 7 .   ? -10.843 -57.558 -42.433 1.000 39.373  0 435 HOH FFF O   1 ? ?  
HETATM 3988 O  O   . HOH I 7 .   ? 1.082   -53.206 -19.467 1.000 37.863  0 436 HOH FFF O   1 ? ?  
HETATM 3989 O  O   . HOH I 7 .   ? 8.183   -52.087 -40.417 1.000 54.076  0 437 HOH FFF O   1 ? ?  
HETATM 3990 O  O   . HOH I 7 .   ? -7.650  -59.359 -42.352 1.000 56.505  0 438 HOH FFF O   1 ? ?  
HETATM 3991 O  O   . HOH I 7 .   ? -17.679 -57.879 -26.101 1.000 52.585  0 439 HOH FFF O   1 ? ?  
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N  N   . GLN A 1   ? 1.002 1.334 1.010 0.145  -0.141 -0.005 1   GLN AAA N   
2    C  CA  . GLN A 1   ? 0.969 1.373 1.012 0.112  -0.160 -0.022 1   GLN AAA CA  
3    C  C   . GLN A 1   ? 0.893 1.316 0.907 0.069  -0.267 0.003  1   GLN AAA C   
4    O  O   . GLN A 1   ? 1.050 1.366 1.009 0.044  -0.271 -0.077 1   GLN AAA O   
5    C  CB  . GLN A 1   ? 0.966 1.431 1.043 0.116  -0.127 -0.047 1   GLN AAA CB  
6    C  CG  . GLN A 1   ? 0.965 1.560 1.208 0.148  -0.131 0.007  1   GLN AAA CG  
7    C  CD  . GLN A 1   ? 0.967 1.607 1.279 0.181  -0.030 0.030  1   GLN AAA CD  
8    O  OE1 . GLN A 1   ? 1.007 1.571 1.250 0.147  0.006  -0.005 1   GLN AAA OE1 
9    N  NE2 . GLN A 1   ? 0.952 1.717 1.437 0.189  -0.093 0.072  1   GLN AAA NE2 
10   N  N   . VAL A 2   ? 0.865 1.146 0.808 0.057  -0.211 0.009  2   VAL AAA N   
11   C  CA  . VAL A 2   ? 0.819 1.091 0.672 0.010  -0.230 0.017  2   VAL AAA CA  
12   C  C   . VAL A 2   ? 0.847 1.073 0.660 0.018  -0.238 0.026  2   VAL AAA C   
13   O  O   . VAL A 2   ? 0.901 1.047 0.738 0.053  -0.209 0.042  2   VAL AAA O   
14   C  CB  . VAL A 2   ? 0.779 1.015 0.650 0.015  -0.199 0.016  2   VAL AAA CB  
15   C  CG1 . VAL A 2   ? 0.787 0.949 0.585 -0.007 -0.201 0.008  2   VAL AAA CG1 
16   C  CG2 . VAL A 2   ? 0.788 1.032 0.663 0.005  -0.157 -0.018 2   VAL AAA CG2 
17   N  N   . GLN A 3   ? 0.857 1.144 0.556 -0.023 -0.255 0.035  3   GLN AAA N   
18   C  CA  . GLN A 3   ? 0.914 1.179 0.516 -0.026 -0.285 0.071  3   GLN AAA CA  
19   C  C   . GLN A 3   ? 0.863 1.152 0.429 -0.082 -0.255 0.045  3   GLN AAA C   
20   O  O   . GLN A 3   ? 0.874 1.151 0.488 -0.113 -0.265 -0.043 3   GLN AAA O   
21   C  CB  . GLN A 3   ? 0.972 1.323 0.562 -0.003 -0.321 0.134  3   GLN AAA CB  
22   C  CG  . GLN A 3   ? 1.035 1.349 0.613 0.011  -0.328 0.197  3   GLN AAA CG  
23   C  CD  . GLN A 3   ? 1.082 1.497 0.640 0.048  -0.368 0.268  3   GLN AAA CD  
24   O  OE1 . GLN A 3   ? 1.090 1.619 0.829 0.029  -0.323 0.252  3   GLN AAA OE1 
25   N  NE2 . GLN A 3   ? 1.131 1.543 0.737 0.016  -0.274 0.296  3   GLN AAA NE2 
26   N  N   . LEU A 4   ? 0.900 1.090 0.377 -0.100 -0.221 0.061  4   LEU AAA N   
27   C  CA  . LEU A 4   ? 0.897 1.042 0.331 -0.131 -0.228 0.039  4   LEU AAA CA  
28   C  C   . LEU A 4   ? 0.986 1.102 0.327 -0.136 -0.251 0.070  4   LEU AAA C   
29   O  O   . LEU A 4   ? 1.165 1.140 0.326 -0.143 -0.225 0.097  4   LEU AAA O   
30   C  CB  . LEU A 4   ? 0.876 0.955 0.311 -0.119 -0.220 0.052  4   LEU AAA CB  
31   C  CG  . LEU A 4   ? 0.830 0.926 0.287 -0.121 -0.161 -0.009 4   LEU AAA CG  
32   C  CD1 . LEU A 4   ? 0.836 0.862 0.273 -0.109 -0.175 -0.017 4   LEU AAA CD1 
33   C  CD2 . LEU A 4   ? 0.805 0.944 0.280 -0.150 -0.155 -0.047 4   LEU AAA CD2 
34   N  N   . VAL A 5   ? 1.030 1.127 0.311 -0.150 -0.249 0.051  5   VAL AAA N   
35   C  CA  . VAL A 5   ? 1.074 1.177 0.312 -0.132 -0.272 0.054  5   VAL AAA CA  
36   C  C   . VAL A 5   ? 1.073 1.163 0.318 -0.146 -0.251 0.051  5   VAL AAA C   
37   O  O   . VAL A 5   ? 1.156 1.143 0.347 -0.213 -0.271 -0.029 5   VAL AAA O   
38   C  CB  . VAL A 5   ? 1.059 1.275 0.399 -0.133 -0.308 0.075  5   VAL AAA CB  
39   C  CG1 . VAL A 5   ? 1.163 1.339 0.406 -0.129 -0.273 0.084  5   VAL AAA CG1 
40   C  CG2 . VAL A 5   ? 1.080 1.314 0.442 -0.091 -0.314 0.119  5   VAL AAA CG2 
41   N  N   . GLU A 6   ? 1.047 1.130 0.343 -0.130 -0.276 0.056  6   GLU AAA N   
42   C  CA  . GLU A 6   ? 1.084 1.128 0.353 -0.126 -0.223 0.015  6   GLU AAA CA  
43   C  C   . GLU A 6   ? 1.178 1.216 0.360 -0.124 -0.185 0.041  6   GLU AAA C   
44   O  O   . GLU A 6   ? 1.294 1.308 0.403 -0.091 -0.251 0.076  6   GLU AAA O   
45   C  CB  . GLU A 6   ? 1.058 1.034 0.468 -0.132 -0.142 0.016  6   GLU AAA CB  
46   C  CG  . GLU A 6   ? 1.031 0.981 0.390 -0.128 -0.103 -0.036 6   GLU AAA CG  
47   C  CD  . GLU A 6   ? 1.064 0.882 0.261 -0.085 -0.083 -0.080 6   GLU AAA CD  
48   O  OE1 . GLU A 6   ? 1.093 0.944 0.221 -0.062 -0.056 -0.045 6   GLU AAA OE1 
49   O  OE2 . GLU A 6   ? 1.097 0.977 0.226 -0.065 -0.092 -0.108 6   GLU AAA OE2 
50   N  N   . SER A 7   ? 1.164 1.236 0.386 -0.154 -0.121 0.024  7   SER AAA N   
51   C  CA  . SER A 7   ? 1.228 1.252 0.408 -0.200 -0.075 -0.003 7   SER AAA CA  
52   C  C   . SER A 7   ? 1.203 1.235 0.286 -0.233 0.002  -0.044 7   SER AAA C   
53   O  O   . SER A 7   ? 1.227 1.157 0.276 -0.216 -0.019 -0.028 7   SER AAA O   
54   C  CB  . SER A 7   ? 1.264 1.371 0.405 -0.210 -0.100 -0.013 7   SER AAA CB  
55   O  OG  . SER A 7   ? 1.231 1.404 0.378 -0.225 -0.037 -0.057 7   SER AAA OG  
56   N  N   . GLY A 8   ? 1.349 1.287 0.161 -0.222 -0.116 -0.029 8   GLY AAA N   
57   C  CA  . GLY A 8   ? 1.314 1.299 0.159 -0.251 -0.079 -0.051 8   GLY AAA CA  
58   C  C   . GLY A 8   ? 1.336 1.271 0.264 -0.251 -0.036 -0.001 8   GLY AAA C   
59   O  O   . GLY A 8   ? 1.343 1.332 0.480 -0.186 0.023  0.007  8   GLY AAA O   
60   N  N   . GLY A 9   ? 1.321 1.299 0.275 -0.255 -0.092 -0.051 9   GLY AAA N   
61   C  CA  . GLY A 9   ? 1.341 1.321 0.132 -0.240 0.005  -0.021 9   GLY AAA CA  
62   C  C   . GLY A 9   ? 1.425 1.471 0.140 -0.248 0.032  0.005  9   GLY AAA C   
63   O  O   . GLY A 9   ? 1.508 1.704 0.222 -0.313 0.036  -0.094 9   GLY AAA O   
64   N  N   . GLY A 10  ? 1.417 1.456 0.203 -0.224 0.052  -0.051 10  GLY AAA N   
65   C  CA  . GLY A 10  ? 1.438 1.495 0.214 -0.257 0.068  -0.056 10  GLY AAA CA  
66   C  C   . GLY A 10  ? 1.444 1.457 0.209 -0.254 0.093  -0.105 10  GLY AAA C   
67   O  O   . GLY A 10  ? 1.427 1.337 0.180 -0.273 0.166  -0.082 10  GLY AAA O   
68   N  N   . LEU A 11  ? 1.579 1.476 0.192 -0.287 0.126  -0.084 11  LEU AAA N   
69   C  CA  A LEU A 11  ? 1.597 1.474 0.239 -0.286 0.176  -0.097 11  LEU AAA CA  
70   C  CA  B LEU A 11  ? 1.599 1.478 0.247 -0.278 0.174  -0.096 11  LEU AAA CA  
71   C  C   . LEU A 11  ? 1.619 1.493 0.252 -0.282 0.207  -0.147 11  LEU AAA C   
72   O  O   . LEU A 11  ? 1.701 1.555 0.254 -0.289 0.197  -0.197 11  LEU AAA O   
73   C  CB  A LEU A 11  ? 1.673 1.555 0.268 -0.301 0.219  -0.065 11  LEU AAA CB  
74   C  CB  B LEU A 11  ? 1.693 1.562 0.279 -0.290 0.201  -0.053 11  LEU AAA CB  
75   C  CG  A LEU A 11  ? 1.706 1.583 0.316 -0.314 0.279  -0.076 11  LEU AAA CG  
76   C  CG  B LEU A 11  ? 1.714 1.575 0.299 -0.289 0.164  0.004  11  LEU AAA CG  
77   C  CD1 A LEU A 11  ? 1.623 1.519 0.309 -0.305 0.325  -0.065 11  LEU AAA CD1 
78   C  CD1 B LEU A 11  ? 1.818 1.656 0.313 -0.308 0.184  0.028  11  LEU AAA CD1 
79   C  CD2 A LEU A 11  ? 1.819 1.672 0.331 -0.334 0.298  -0.048 11  LEU AAA CD2 
80   C  CD2 B LEU A 11  ? 1.635 1.473 0.374 -0.277 0.144  0.006  11  LEU AAA CD2 
81   N  N   . VAL A 12  ? 1.584 1.423 0.233 -0.261 0.269  -0.163 12  VAL AAA N   
82   C  CA  . VAL A 12  ? 1.618 1.430 0.296 -0.260 0.274  -0.217 12  VAL AAA CA  
83   C  C   . VAL A 12  ? 1.618 1.408 0.343 -0.241 0.341  -0.223 12  VAL AAA C   
84   O  O   . VAL A 12  ? 1.609 1.399 0.367 -0.238 0.302  -0.195 12  VAL AAA O   
85   C  CB  . VAL A 12  ? 1.564 1.384 0.261 -0.241 0.271  -0.253 12  VAL AAA CB  
86   C  CG1 . VAL A 12  ? 1.460 1.319 0.306 -0.221 0.240  -0.242 12  VAL AAA CG1 
87   C  CG2 . VAL A 12  ? 1.623 1.371 0.379 -0.243 0.306  -0.258 12  VAL AAA CG2 
88   N  N   . GLN A 13  ? 1.667 1.481 0.311 -0.237 0.420  -0.230 13  GLN AAA N   
89   C  CA  . GLN A 13  ? 1.666 1.484 0.371 -0.214 0.491  -0.246 13  GLN AAA CA  
90   C  C   . GLN A 13  ? 1.577 1.421 0.392 -0.192 0.487  -0.257 13  GLN AAA C   
91   O  O   . GLN A 13  ? 1.576 1.387 0.358 -0.175 0.441  -0.247 13  GLN AAA O   
92   C  CB  . GLN A 13  ? 1.760 1.558 0.438 -0.213 0.554  -0.296 13  GLN AAA CB  
93   C  CG  . GLN A 13  ? 1.849 1.625 0.424 -0.236 0.559  -0.294 13  GLN AAA CG  
94   C  CD  . GLN A 13  ? 1.947 1.691 0.506 -0.227 0.634  -0.341 13  GLN AAA CD  
95   O  OE1 . GLN A 13  ? 1.982 1.740 0.650 -0.214 0.708  -0.344 13  GLN AAA OE1 
96   N  NE2 . GLN A 13  ? 2.014 1.703 0.514 -0.239 0.607  -0.382 13  GLN AAA NE2 
97   N  N   . PRO A 14  ? 1.543 1.428 0.458 -0.172 0.522  -0.253 14  PRO AAA N   
98   C  CA  . PRO A 14  ? 1.479 1.365 0.492 -0.148 0.524  -0.261 14  PRO AAA CA  
99   C  C   . PRO A 14  ? 1.521 1.364 0.511 -0.124 0.545  -0.314 14  PRO AAA C   
100  O  O   . PRO A 14  ? 1.625 1.409 0.521 -0.136 0.561  -0.330 14  PRO AAA O   
101  C  CB  . PRO A 14  ? 1.469 1.415 0.563 -0.132 0.569  -0.253 14  PRO AAA CB  
102  C  CG  . PRO A 14  ? 1.497 1.467 0.548 -0.164 0.575  -0.216 14  PRO AAA CG  
103  C  CD  . PRO A 14  ? 1.577 1.489 0.508 -0.187 0.558  -0.226 14  PRO AAA CD  
104  N  N   . GLY A 15  ? 1.470 1.289 0.527 -0.123 0.493  -0.289 15  GLY AAA N   
105  C  CA  . GLY A 15  ? 1.513 1.279 0.548 -0.113 0.507  -0.323 15  GLY AAA CA  
106  C  C   . GLY A 15  ? 1.535 1.260 0.523 -0.147 0.471  -0.311 15  GLY AAA C   
107  O  O   . GLY A 15  ? 1.593 1.156 0.718 -0.163 0.379  -0.366 15  GLY AAA O   
108  N  N   . GLY A 16  ? 1.539 1.299 0.495 -0.176 0.442  -0.276 16  GLY AAA N   
109  C  CA  . GLY A 16  ? 1.563 1.320 0.460 -0.207 0.409  -0.272 16  GLY AAA CA  
110  C  C   . GLY A 16  ? 1.499 1.267 0.432 -0.195 0.365  -0.270 16  GLY AAA C   
111  O  O   . GLY A 16  ? 1.406 1.176 0.417 -0.192 0.385  -0.208 16  GLY AAA O   
112  N  N   . SER A 17  ? 1.528 1.293 0.395 -0.213 0.316  -0.285 17  SER AAA N   
113  C  CA  A SER A 17  ? 1.458 1.259 0.376 -0.226 0.260  -0.243 17  SER AAA CA  
114  C  CA  B SER A 17  ? 1.460 1.252 0.383 -0.225 0.266  -0.243 17  SER AAA CA  
115  C  C   . SER A 17  ? 1.462 1.250 0.296 -0.247 0.213  -0.205 17  SER AAA C   
116  O  O   . SER A 17  ? 1.543 1.332 0.265 -0.299 0.116  -0.246 17  SER AAA O   
117  C  CB  A SER A 17  ? 1.556 1.258 0.412 -0.240 0.268  -0.278 17  SER AAA CB  
118  C  CB  B SER A 17  ? 1.531 1.247 0.428 -0.233 0.278  -0.268 17  SER AAA CB  
119  O  OG  A SER A 17  ? 1.575 1.306 0.430 -0.266 0.167  -0.267 17  SER AAA OG  
120  O  OG  B SER A 17  ? 1.510 1.244 0.451 -0.237 0.255  -0.229 17  SER AAA OG  
121  N  N   . LEU A 18  ? 1.396 1.185 0.251 -0.257 0.141  -0.234 18  LEU AAA N   
122  C  CA  . LEU A 18  ? 1.371 1.207 0.255 -0.263 0.149  -0.180 18  LEU AAA CA  
123  C  C   . LEU A 18  ? 1.303 1.157 0.264 -0.248 0.135  -0.196 18  LEU AAA C   
124  O  O   . LEU A 18  ? 1.179 1.105 0.263 -0.261 0.167  -0.200 18  LEU AAA O   
125  C  CB  . LEU A 18  ? 1.408 1.172 0.363 -0.226 0.078  -0.154 18  LEU AAA CB  
126  C  CG  . LEU A 18  ? 1.501 1.241 0.411 -0.209 -0.005 -0.119 18  LEU AAA CG  
127  C  CD1 . LEU A 18  ? 1.608 1.376 0.393 -0.205 -0.001 -0.140 18  LEU AAA CD1 
128  C  CD2 . LEU A 18  ? 1.501 1.256 0.465 -0.217 -0.019 -0.057 18  LEU AAA CD2 
129  N  N   . ARG A 19  ? 1.307 1.170 0.197 -0.272 0.110  -0.168 19  ARG AAA N   
130  C  CA  . ARG A 19  ? 1.196 1.129 0.309 -0.287 0.104  -0.184 19  ARG AAA CA  
131  C  C   . ARG A 19  ? 1.230 1.085 0.231 -0.295 0.017  -0.197 19  ARG AAA C   
132  O  O   . ARG A 19  ? 1.366 1.114 0.211 -0.247 0.009  -0.134 19  ARG AAA O   
133  C  CB  . ARG A 19  ? 1.285 1.182 0.373 -0.330 0.073  -0.217 19  ARG AAA CB  
134  C  CG  . ARG A 19  ? 1.215 1.169 0.490 -0.321 0.103  -0.196 19  ARG AAA CG  
135  C  CD  . ARG A 19  ? 1.312 1.222 0.546 -0.338 0.062  -0.293 19  ARG AAA CD  
136  N  NE  . ARG A 19  ? 1.283 1.120 0.600 -0.364 0.022  -0.311 19  ARG AAA NE  
137  C  CZ  . ARG A 19  ? 1.271 1.227 0.681 -0.385 -0.028 -0.313 19  ARG AAA CZ  
138  N  NH1 . ARG A 19  ? 1.483 1.372 0.523 -0.420 -0.034 -0.455 19  ARG AAA NH1 
139  N  NH2 . ARG A 19  ? 1.306 1.273 0.697 -0.351 0.026  -0.289 19  ARG AAA NH2 
140  N  N   . LEU A 20  ? 1.150 0.970 0.239 -0.302 -0.003 -0.170 20  LEU AAA N   
141  C  CA  . LEU A 20  ? 1.106 0.964 0.232 -0.297 -0.034 -0.147 20  LEU AAA CA  
142  C  C   . LEU A 20  ? 1.079 0.944 0.230 -0.283 -0.050 -0.121 20  LEU AAA C   
143  O  O   . LEU A 20  ? 1.113 0.955 0.235 -0.255 0.016  -0.103 20  LEU AAA O   
144  C  CB  . LEU A 20  ? 1.082 0.960 0.210 -0.263 -0.024 -0.162 20  LEU AAA CB  
145  C  CG  . LEU A 20  ? 1.091 1.029 0.266 -0.255 0.013  -0.170 20  LEU AAA CG  
146  C  CD1 . LEU A 20  ? 1.042 0.975 0.353 -0.229 -0.009 -0.180 20  LEU AAA CD1 
147  C  CD2 . LEU A 20  ? 1.173 1.085 0.295 -0.244 0.082  -0.127 20  LEU AAA CD2 
148  N  N   . SER A 21  ? 1.066 0.977 0.258 -0.292 -0.099 -0.112 21  SER AAA N   
149  C  CA  . SER A 21  ? 1.035 1.047 0.271 -0.315 -0.150 -0.102 21  SER AAA CA  
150  C  C   . SER A 21  ? 1.025 0.978 0.362 -0.296 -0.138 -0.071 21  SER AAA C   
151  O  O   . SER A 21  ? 1.150 1.021 0.323 -0.300 -0.158 0.011  21  SER AAA O   
152  C  CB  . SER A 21  ? 1.109 1.142 0.300 -0.333 -0.196 -0.117 21  SER AAA CB  
153  O  OG  . SER A 21  ? 1.135 1.207 0.376 -0.291 -0.230 -0.042 21  SER AAA OG  
154  N  N   . CYS A 22  ? 1.038 0.989 0.336 -0.300 -0.142 -0.102 22  CYS AAA N   
155  C  CA  . CYS A 22  ? 1.022 0.979 0.396 -0.254 -0.157 -0.095 22  CYS AAA CA  
156  C  C   . CYS A 22  ? 0.999 0.992 0.308 -0.257 -0.211 -0.122 22  CYS AAA C   
157  O  O   . CYS A 22  ? 1.119 1.017 0.307 -0.270 -0.159 -0.099 22  CYS AAA O   
158  C  CB  . CYS A 22  ? 0.964 0.954 0.472 -0.262 -0.190 -0.109 22  CYS AAA CB  
159  S  SG  . CYS A 22  ? 1.005 1.018 0.337 -0.229 -0.132 -0.060 22  CYS AAA SG  
160  N  N   . ALA A 23  ? 1.000 1.112 0.440 -0.230 -0.232 -0.070 23  ALA AAA N   
161  C  CA  . ALA A 23  ? 0.990 1.158 0.448 -0.204 -0.225 -0.058 23  ALA AAA CA  
162  C  C   . ALA A 23  ? 0.989 1.065 0.471 -0.212 -0.267 -0.063 23  ALA AAA C   
163  O  O   . ALA A 23  ? 1.032 1.080 0.424 -0.173 -0.262 -0.034 23  ALA AAA O   
164  C  CB  . ALA A 23  ? 0.996 1.250 0.508 -0.229 -0.290 -0.085 23  ALA AAA CB  
165  N  N   . ALA A 24  ? 0.970 1.102 0.494 -0.192 -0.259 -0.031 24  ALA AAA N   
166  C  CA  . ALA A 24  ? 0.926 1.087 0.601 -0.163 -0.221 -0.070 24  ALA AAA CA  
167  C  C   . ALA A 24  ? 0.927 1.121 0.697 -0.159 -0.208 -0.029 24  ALA AAA C   
168  O  O   . ALA A 24  ? 0.947 1.199 0.847 -0.256 -0.154 -0.033 24  ALA AAA O   
169  C  CB  . ALA A 24  ? 0.959 1.046 0.646 -0.110 -0.182 -0.015 24  ALA AAA CB  
170  N  N   . SER A 25  ? 0.916 1.170 0.661 -0.102 -0.247 0.030  25  SER AAA N   
171  C  CA  . SER A 25  ? 0.906 1.290 0.709 -0.115 -0.266 0.035  25  SER AAA CA  
172  C  C   . SER A 25  ? 0.863 1.298 0.754 -0.093 -0.211 0.027  25  SER AAA C   
173  O  O   . SER A 25  ? 0.884 1.287 0.648 -0.064 -0.297 0.029  25  SER AAA O   
174  C  CB  . SER A 25  ? 0.929 1.422 0.757 -0.087 -0.314 0.045  25  SER AAA CB  
175  O  OG  . SER A 25  ? 0.991 1.413 0.663 -0.022 -0.386 0.104  25  SER AAA OG  
176  N  N   . GLY A 26  ? 0.870 1.337 0.838 -0.126 -0.184 0.006  26  GLY AAA N   
177  C  CA  . GLY A 26  ? 0.863 1.360 0.816 -0.093 -0.189 0.021  26  GLY AAA CA  
178  C  C   . GLY A 26  ? 0.793 1.310 0.808 -0.075 -0.170 0.007  26  GLY AAA C   
179  O  O   . GLY A 26  ? 0.794 1.431 0.778 -0.096 -0.105 0.017  26  GLY AAA O   
180  N  N   . PHE A 27  ? 0.754 1.286 0.819 -0.101 -0.155 -0.003 27  PHE AAA N   
181  C  CA  . PHE A 27  ? 0.793 1.253 0.795 -0.091 -0.113 -0.024 27  PHE AAA CA  
182  C  C   . PHE A 27  ? 0.861 1.284 0.796 -0.143 -0.102 -0.024 27  PHE AAA C   
183  O  O   . PHE A 27  ? 0.910 1.408 0.803 -0.068 -0.206 -0.049 27  PHE AAA O   
184  C  CB  . PHE A 27  ? 0.773 1.194 0.697 -0.129 -0.138 -0.009 27  PHE AAA CB  
185  C  CG  . PHE A 27  ? 0.773 1.136 0.573 -0.110 -0.144 -0.039 27  PHE AAA CG  
186  C  CD1 . PHE A 27  ? 0.820 1.159 0.487 -0.072 -0.209 0.028  27  PHE AAA CD1 
187  C  CD2 . PHE A 27  ? 0.812 1.160 0.470 -0.122 -0.180 -0.014 27  PHE AAA CD2 
188  C  CE1 . PHE A 27  ? 0.793 1.098 0.504 -0.033 -0.141 0.037  27  PHE AAA CE1 
189  C  CE2 . PHE A 27  ? 0.787 1.097 0.367 -0.083 -0.134 -0.014 27  PHE AAA CE2 
190  C  CZ  . PHE A 27  ? 0.784 1.079 0.404 -0.067 -0.206 -0.009 27  PHE AAA CZ  
191  N  N   . THR A 28  ? 0.907 1.270 0.862 -0.096 -0.021 -0.078 28  THR AAA N   
192  C  CA  . THR A 28  ? 0.881 1.354 0.908 -0.124 -0.033 -0.097 28  THR AAA CA  
193  C  C   . THR A 28  ? 0.809 1.346 0.802 -0.162 -0.084 -0.109 28  THR AAA C   
194  O  O   . THR A 28  ? 0.838 1.508 0.707 -0.269 -0.192 -0.119 28  THR AAA O   
195  C  CB  . THR A 28  ? 0.876 1.304 1.057 -0.054 0.059  -0.091 28  THR AAA CB  
196  O  OG1 . THR A 28  ? 0.855 1.296 1.051 -0.017 0.131  -0.056 28  THR AAA OG1 
197  C  CG2 . THR A 28  ? 0.891 1.422 1.135 -0.097 0.069  -0.067 28  THR AAA CG2 
198  N  N   . ASN A 29  ? 0.805 1.313 0.656 -0.174 -0.071 -0.083 29  ASN AAA N   
199  C  CA  . ASN A 29  ? 0.768 1.277 0.570 -0.213 -0.091 -0.120 29  ASN AAA CA  
200  C  C   . ASN A 29  ? 0.765 1.189 0.453 -0.220 -0.115 -0.119 29  ASN AAA C   
201  O  O   . ASN A 29  ? 0.803 1.167 0.509 -0.247 -0.145 -0.120 29  ASN AAA O   
202  C  CB  . ASN A 29  ? 0.742 1.256 0.578 -0.247 -0.032 -0.139 29  ASN AAA CB  
203  C  CG  . ASN A 29  ? 0.729 1.221 0.555 -0.215 0.010  -0.155 29  ASN AAA CG  
204  O  OD1 . ASN A 29  ? 0.698 1.248 0.513 -0.247 -0.112 -0.131 29  ASN AAA OD1 
205  N  ND2 . ASN A 29  ? 0.698 1.232 0.633 -0.194 0.033  -0.177 29  ASN AAA ND2 
206  N  N   . ASP A 30  ? 0.749 1.137 0.447 -0.261 -0.091 -0.124 30  ASP AAA N   
207  C  CA  . ASP A 30  ? 0.728 1.047 0.402 -0.281 -0.122 -0.134 30  ASP AAA CA  
208  C  C   . ASP A 30  ? 0.726 0.957 0.368 -0.239 -0.088 -0.180 30  ASP AAA C   
209  O  O   . ASP A 30  ? 0.743 1.002 0.328 -0.221 -0.068 -0.236 30  ASP AAA O   
210  C  CB  . ASP A 30  ? 0.788 1.037 0.468 -0.289 -0.076 -0.078 30  ASP AAA CB  
211  C  CG  . ASP A 30  ? 0.908 1.122 0.522 -0.341 -0.148 -0.062 30  ASP AAA CG  
212  O  OD1 . ASP A 30  ? 1.060 1.242 0.591 -0.254 -0.174 0.027  30  ASP AAA OD1 
213  O  OD2 . ASP A 30  ? 1.054 1.144 0.682 -0.298 0.022  0.093  30  ASP AAA OD2 
214  N  N   . PHE A 31  ? 0.639 0.942 0.364 -0.280 -0.051 -0.159 31  PHE AAA N   
215  C  CA  . PHE A 31  ? 0.665 0.891 0.370 -0.239 -0.079 -0.157 31  PHE AAA CA  
216  C  C   . PHE A 31  ? 0.674 0.872 0.340 -0.212 -0.089 -0.138 31  PHE AAA C   
217  O  O   . PHE A 31  ? 0.724 0.858 0.359 -0.202 -0.100 -0.121 31  PHE AAA O   
218  C  CB  . PHE A 31  ? 0.664 0.925 0.382 -0.238 -0.055 -0.108 31  PHE AAA CB  
219  C  CG  . PHE A 31  ? 0.672 0.894 0.410 -0.233 -0.080 -0.106 31  PHE AAA CG  
220  C  CD1 . PHE A 31  ? 0.725 0.847 0.369 -0.262 -0.070 -0.123 31  PHE AAA CD1 
221  C  CD2 . PHE A 31  ? 0.681 0.829 0.341 -0.179 -0.039 -0.080 31  PHE AAA CD2 
222  C  CE1 . PHE A 31  ? 0.664 0.825 0.370 -0.225 -0.045 -0.052 31  PHE AAA CE1 
223  C  CE2 . PHE A 31  ? 0.587 0.818 0.374 -0.223 -0.012 -0.047 31  PHE AAA CE2 
224  C  CZ  . PHE A 31  ? 0.695 0.813 0.284 -0.213 -0.008 -0.060 31  PHE AAA CZ  
225  N  N   . TYR A 32  ? 0.673 0.833 0.309 -0.212 -0.106 -0.108 32  TYR AAA N   
226  C  CA  . TYR A 32  ? 0.669 0.793 0.289 -0.187 -0.113 -0.106 32  TYR AAA CA  
227  C  C   . TYR A 32  ? 0.681 0.749 0.231 -0.203 -0.093 -0.093 32  TYR AAA C   
228  O  O   . TYR A 32  ? 0.674 0.754 0.225 -0.182 -0.048 -0.065 32  TYR AAA O   
229  C  CB  . TYR A 32  ? 0.695 0.850 0.301 -0.149 -0.122 -0.090 32  TYR AAA CB  
230  C  CG  . TYR A 32  ? 0.726 0.927 0.321 -0.190 -0.160 -0.111 32  TYR AAA CG  
231  C  CD1 . TYR A 32  ? 0.748 0.980 0.352 -0.236 -0.159 -0.125 32  TYR AAA CD1 
232  C  CD2 . TYR A 32  ? 0.774 0.906 0.285 -0.197 -0.168 -0.089 32  TYR AAA CD2 
233  C  CE1 . TYR A 32  ? 0.817 0.989 0.338 -0.269 -0.170 -0.088 32  TYR AAA CE1 
234  C  CE2 . TYR A 32  ? 0.800 0.946 0.278 -0.201 -0.168 -0.110 32  TYR AAA CE2 
235  C  CZ  . TYR A 32  ? 0.837 1.000 0.307 -0.251 -0.175 -0.091 32  TYR AAA CZ  
236  O  OH  . TYR A 32  ? 0.943 1.065 0.295 -0.297 -0.137 -0.107 32  TYR AAA OH  
237  N  N   . SER A 33  ? 0.675 0.660 0.218 -0.163 -0.098 -0.076 33  SER AAA N   
238  C  CA  . SER A 33  ? 0.692 0.602 0.174 -0.185 -0.074 -0.108 33  SER AAA CA  
239  C  C   . SER A 33  ? 0.677 0.618 0.195 -0.184 -0.045 -0.076 33  SER AAA C   
240  O  O   . SER A 33  ? 0.724 0.657 0.176 -0.120 -0.066 -0.072 33  SER AAA O   
241  C  CB  . SER A 33  ? 0.685 0.577 0.169 -0.177 -0.080 -0.110 33  SER AAA CB  
242  O  OG  . SER A 33  ? 0.682 0.558 0.189 -0.183 -0.054 -0.112 33  SER AAA OG  
243  N  N   . ILE A 34  ? 0.713 0.622 0.173 -0.161 -0.035 -0.052 34  ILE AAA N   
244  C  CA  . ILE A 34  ? 0.718 0.606 0.155 -0.145 -0.009 -0.085 34  ILE AAA CA  
245  C  C   . ILE A 34  ? 0.724 0.526 0.152 -0.132 -0.032 -0.101 34  ILE AAA C   
246  O  O   . ILE A 34  ? 0.727 0.592 0.209 -0.072 -0.055 -0.073 34  ILE AAA O   
247  C  CB  . ILE A 34  ? 0.780 0.668 0.181 -0.170 -0.034 -0.108 34  ILE AAA CB  
248  C  CG1 . ILE A 34  ? 0.782 0.712 0.210 -0.163 -0.040 -0.108 34  ILE AAA CG1 
249  C  CG2 . ILE A 34  ? 0.797 0.694 0.153 -0.162 -0.068 -0.079 34  ILE AAA CG2 
250  C  CD1 . ILE A 34  ? 0.844 0.713 0.196 -0.146 -0.069 -0.121 34  ILE AAA CD1 
251  N  N   . ALA A 35  ? 0.714 0.569 0.170 -0.148 -0.026 -0.075 35  ALA AAA N   
252  C  CA  . ALA A 35  ? 0.729 0.608 0.162 -0.134 0.052  -0.062 35  ALA AAA CA  
253  C  C   . ALA A 35  ? 0.751 0.653 0.166 -0.164 0.049  -0.056 35  ALA AAA C   
254  O  O   . ALA A 35  ? 0.891 0.734 0.175 -0.134 0.041  0.002  35  ALA AAA O   
255  C  CB  . ALA A 35  ? 0.722 0.621 0.175 -0.128 0.034  -0.071 35  ALA AAA CB  
256  N  N   . TRP A 36  ? 0.753 0.686 0.142 -0.149 0.038  -0.059 36  TRP AAA N   
257  C  CA  . TRP A 36  ? 0.780 0.728 0.159 -0.145 0.066  -0.056 36  TRP AAA CA  
258  C  C   . TRP A 36  ? 0.803 0.700 0.212 -0.129 0.092  -0.133 36  TRP AAA C   
259  O  O   . TRP A 36  ? 0.819 0.680 0.178 -0.107 0.106  -0.079 36  TRP AAA O   
260  C  CB  . TRP A 36  ? 0.834 0.732 0.166 -0.157 0.033  -0.088 36  TRP AAA CB  
261  C  CG  . TRP A 36  ? 0.829 0.799 0.193 -0.167 -0.004 -0.040 36  TRP AAA CG  
262  C  CD1 . TRP A 36  ? 0.781 0.762 0.334 -0.188 -0.027 -0.093 36  TRP AAA CD1 
263  C  CD2 . TRP A 36  ? 0.891 0.873 0.191 -0.180 -0.068 -0.094 36  TRP AAA CD2 
264  N  NE1 . TRP A 36  ? 0.906 0.790 0.210 -0.176 -0.072 -0.096 36  TRP AAA NE1 
265  C  CE2 . TRP A 36  ? 0.872 0.871 0.211 -0.183 -0.030 -0.051 36  TRP AAA CE2 
266  C  CE3 . TRP A 36  ? 0.954 0.935 0.147 -0.175 -0.093 -0.073 36  TRP AAA CE3 
267  C  CZ2 . TRP A 36  ? 0.992 0.934 0.196 -0.169 -0.086 -0.132 36  TRP AAA CZ2 
268  C  CZ3 . TRP A 36  ? 0.926 0.987 0.176 -0.145 -0.098 -0.064 36  TRP AAA CZ3 
269  C  CH2 . TRP A 36  ? 1.018 0.989 0.168 -0.177 -0.086 -0.120 36  TRP AAA CH2 
270  N  N   . PHE A 37  ? 0.852 0.733 0.158 -0.153 0.050  -0.093 37  PHE AAA N   
271  C  CA  . PHE A 37  ? 0.800 0.743 0.173 -0.139 0.058  -0.017 37  PHE AAA CA  
272  C  C   . PHE A 37  ? 0.771 0.763 0.213 -0.183 0.081  0.004  37  PHE AAA C   
273  O  O   . PHE A 37  ? 0.906 0.935 0.194 -0.191 0.085  0.023  37  PHE AAA O   
274  C  CB  . PHE A 37  ? 0.822 0.698 0.207 -0.146 0.074  0.015  37  PHE AAA CB  
275  C  CG  . PHE A 37  ? 0.757 0.705 0.179 -0.135 0.037  -0.022 37  PHE AAA CG  
276  C  CD1 . PHE A 37  ? 0.722 0.659 0.162 -0.148 -0.027 -0.031 37  PHE AAA CD1 
277  C  CD2 . PHE A 37  ? 0.727 0.694 0.196 -0.138 0.046  -0.008 37  PHE AAA CD2 
278  C  CE1 . PHE A 37  ? 0.647 0.655 0.194 -0.122 0.016  0.023  37  PHE AAA CE1 
279  C  CE2 . PHE A 37  ? 0.724 0.603 0.178 -0.145 0.012  -0.039 37  PHE AAA CE2 
280  C  CZ  . PHE A 37  ? 0.707 0.615 0.169 -0.130 0.024  -0.079 37  PHE AAA CZ  
281  N  N   . ARG A 38  ? 0.767 0.702 0.188 -0.219 0.063  -0.026 38  ARG AAA N   
282  C  CA  . ARG A 38  ? 0.825 0.738 0.228 -0.209 0.084  0.033  38  ARG AAA CA  
283  C  C   . ARG A 38  ? 0.862 0.735 0.240 -0.220 0.063  0.051  38  ARG AAA C   
284  O  O   . ARG A 38  ? 0.893 0.802 0.257 -0.240 0.077  0.062  38  ARG AAA O   
285  C  CB  . ARG A 38  ? 0.843 0.755 0.256 -0.202 0.070  -0.003 38  ARG AAA CB  
286  C  CG  . ARG A 38  ? 0.834 0.756 0.310 -0.187 0.067  -0.031 38  ARG AAA CG  
287  C  CD  . ARG A 38  ? 0.868 0.812 0.297 -0.179 0.055  -0.085 38  ARG AAA CD  
288  N  NE  . ARG A 38  ? 0.880 0.818 0.389 -0.116 0.052  -0.123 38  ARG AAA NE  
289  C  CZ  . ARG A 38  ? 0.864 0.812 0.396 -0.117 0.043  -0.114 38  ARG AAA CZ  
290  N  NH1 . ARG A 38  ? 0.913 0.845 0.404 -0.124 0.023  -0.125 38  ARG AAA NH1 
291  N  NH2 . ARG A 38  ? 0.861 0.886 0.443 -0.129 0.026  -0.092 38  ARG AAA NH2 
292  N  N   . GLN A 39  ? 0.918 0.825 0.253 -0.195 0.092  0.075  39  GLN AAA N   
293  C  CA  . GLN A 39  ? 0.951 0.832 0.305 -0.213 0.103  0.121  39  GLN AAA CA  
294  C  C   . GLN A 39  ? 1.004 0.918 0.329 -0.197 0.133  0.150  39  GLN AAA C   
295  O  O   . GLN A 39  ? 1.095 0.946 0.335 -0.174 0.148  0.177  39  GLN AAA O   
296  C  CB  . GLN A 39  ? 1.027 0.837 0.327 -0.167 0.088  0.165  39  GLN AAA CB  
297  C  CG  . GLN A 39  ? 1.122 0.813 0.389 -0.182 0.100  0.197  39  GLN AAA CG  
298  C  CD  . GLN A 39  ? 1.210 0.854 0.486 -0.108 0.124  0.172  39  GLN AAA CD  
299  O  OE1 . GLN A 39  ? 1.391 0.837 0.521 -0.106 0.139  0.113  39  GLN AAA OE1 
300  N  NE2 . GLN A 39  ? 1.316 0.948 0.562 -0.082 0.073  0.281  39  GLN AAA NE2 
301  N  N   . ALA A 40  ? 0.986 0.984 0.328 -0.214 0.154  0.112  40  ALA AAA N   
302  C  CA  . ALA A 40  ? 1.030 1.028 0.398 -0.246 0.219  0.147  40  ALA AAA CA  
303  C  C   . ALA A 40  ? 1.128 1.040 0.436 -0.283 0.210  0.181  40  ALA AAA C   
304  O  O   . ALA A 40  ? 1.225 0.971 0.476 -0.321 0.215  0.206  40  ALA AAA O   
305  C  CB  . ALA A 40  ? 1.015 1.061 0.421 -0.234 0.217  0.120  40  ALA AAA CB  
306  N  N   . PRO A 41  ? 1.241 1.178 0.475 -0.320 0.251  0.222  41  PRO AAA N   
307  C  CA  . PRO A 41  ? 1.356 1.147 0.583 -0.296 0.189  0.175  41  PRO AAA CA  
308  C  C   . PRO A 41  ? 1.310 1.173 0.519 -0.290 0.250  0.185  41  PRO AAA C   
309  O  O   . PRO A 41  ? 1.236 1.251 0.574 -0.335 0.274  0.217  41  PRO AAA O   
310  C  CB  . PRO A 41  ? 1.407 1.250 0.653 -0.333 0.254  0.209  41  PRO AAA CB  
311  C  CG  . PRO A 41  ? 1.370 1.271 0.635 -0.313 0.246  0.184  41  PRO AAA CG  
312  C  CD  . PRO A 41  ? 1.332 1.174 0.575 -0.269 0.228  0.153  41  PRO AAA CD  
313  N  N   . GLY A 42  ? 1.338 1.131 0.522 -0.317 0.215  0.177  42  GLY AAA N   
314  C  CA  . GLY A 42  ? 1.339 1.066 0.581 -0.339 0.171  0.193  42  GLY AAA CA  
315  C  C   . GLY A 42  ? 1.262 1.025 0.547 -0.351 0.157  0.150  42  GLY AAA C   
316  O  O   . GLY A 42  ? 1.261 1.127 0.736 -0.353 0.057  0.104  42  GLY AAA O   
317  N  N   . LYS A 43  ? 1.245 0.948 0.514 -0.302 0.110  0.128  43  LYS AAA N   
318  C  CA  . LYS A 43  ? 1.207 0.919 0.486 -0.242 0.109  0.099  43  LYS AAA CA  
319  C  C   . LYS A 43  ? 1.208 0.832 0.451 -0.241 0.098  0.111  43  LYS AAA C   
320  O  O   . LYS A 43  ? 1.338 0.824 0.455 -0.234 0.113  0.171  43  LYS AAA O   
321  C  CB  . LYS A 43  ? 1.181 0.975 0.465 -0.155 0.115  0.050  43  LYS AAA CB  
322  C  CG  . LYS A 43  ? 1.181 1.036 0.680 -0.092 0.077  0.004  43  LYS AAA CG  
323  C  CD  . LYS A 43  ? 1.214 1.077 0.800 0.022  0.046  -0.013 43  LYS AAA CD  
324  C  CE  . LYS A 43  ? 1.276 1.222 0.937 0.066  0.147  -0.006 43  LYS AAA CE  
325  N  NZ  . LYS A 43  ? 1.393 1.226 1.128 0.115  0.118  -0.006 43  LYS AAA NZ  
326  N  N   . GLU A 44  ? 1.162 0.813 0.431 -0.252 0.077  0.080  44  GLU AAA N   
327  C  CA  . GLU A 44  ? 1.117 0.771 0.499 -0.245 0.060  0.037  44  GLU AAA CA  
328  C  C   . GLU A 44  ? 1.078 0.780 0.341 -0.191 0.037  0.012  44  GLU AAA C   
329  O  O   . GLU A 44  ? 1.198 0.802 0.321 -0.222 0.083  0.027  44  GLU AAA O   
330  C  CB  . GLU A 44  ? 1.116 0.812 0.496 -0.264 0.059  0.011  44  GLU AAA CB  
331  C  CG  . GLU A 44  ? 1.127 0.801 0.743 -0.272 0.032  -0.011 44  GLU AAA CG  
332  C  CD  . GLU A 44  ? 1.120 0.838 0.979 -0.241 -0.001 0.004  44  GLU AAA CD  
333  O  OE1 . GLU A 44  ? 1.061 0.928 1.133 -0.105 0.069  -0.022 44  GLU AAA OE1 
334  O  OE2 . GLU A 44  ? 1.092 0.811 0.977 -0.274 0.058  0.075  44  GLU AAA OE2 
335  N  N   . ARG A 45  ? 1.058 0.698 0.336 -0.160 0.005  -0.008 45  ARG AAA N   
336  C  CA  . ARG A 45  ? 0.950 0.698 0.290 -0.136 0.037  0.026  45  ARG AAA CA  
337  C  C   . ARG A 45  ? 0.973 0.661 0.251 -0.114 0.045  -0.021 45  ARG AAA C   
338  O  O   . ARG A 45  ? 0.952 0.671 0.273 -0.120 0.058  -0.072 45  ARG AAA O   
339  C  CB  . ARG A 45  ? 0.951 0.686 0.321 -0.097 0.019  0.041  45  ARG AAA CB  
340  C  CG  . ARG A 45  ? 0.940 0.692 0.341 -0.103 0.014  0.051  45  ARG AAA CG  
341  C  CD  . ARG A 45  ? 0.934 0.699 0.345 -0.110 -0.005 0.073  45  ARG AAA CD  
342  N  NE  . ARG A 45  ? 0.997 0.731 0.389 -0.076 -0.010 0.096  45  ARG AAA NE  
343  C  CZ  . ARG A 45  ? 1.020 0.795 0.371 -0.056 -0.061 0.115  45  ARG AAA CZ  
344  N  NH1 . ARG A 45  ? 0.967 0.828 0.443 -0.066 -0.079 0.116  45  ARG AAA NH1 
345  N  NH2 . ARG A 45  ? 1.131 0.809 0.413 -0.022 -0.059 0.136  45  ARG AAA NH2 
346  N  N   . GLU A 46  ? 0.822 0.652 0.238 -0.162 0.066  -0.024 46  GLU AAA N   
347  C  CA  . GLU A 46  ? 0.771 0.647 0.235 -0.171 0.061  -0.033 46  GLU AAA CA  
348  C  C   . GLU A 46  ? 0.748 0.647 0.203 -0.160 0.039  -0.046 46  GLU AAA C   
349  O  O   . GLU A 46  ? 0.765 0.688 0.210 -0.172 0.089  -0.078 46  GLU AAA O   
350  C  CB  . GLU A 46  ? 0.776 0.714 0.326 -0.161 0.075  -0.037 46  GLU AAA CB  
351  C  CG  . GLU A 46  ? 0.854 0.757 0.453 -0.209 0.029  -0.045 46  GLU AAA CG  
352  C  CD  . GLU A 46  ? 0.866 0.898 0.690 -0.153 0.077  -0.057 46  GLU AAA CD  
353  O  OE1 . GLU A 46  ? 1.027 0.951 0.857 -0.017 -0.064 -0.100 46  GLU AAA OE1 
354  O  OE2 . GLU A 46  ? 1.096 0.952 1.111 -0.273 -0.038 0.013  46  GLU AAA OE2 
355  N  N   . GLY A 47  ? 0.702 0.645 0.206 -0.133 0.070  -0.063 47  GLY AAA N   
356  C  CA  . GLY A 47  ? 0.723 0.617 0.178 -0.120 0.051  -0.051 47  GLY AAA CA  
357  C  C   . GLY A 47  ? 0.711 0.634 0.222 -0.129 0.096  -0.058 47  GLY AAA C   
358  O  O   . GLY A 47  ? 0.727 0.617 0.334 -0.127 0.046  -0.142 47  GLY AAA O   
359  N  N   . VAL A 48  ? 0.722 0.668 0.252 -0.156 0.129  -0.093 48  VAL AAA N   
360  C  CA  . VAL A 48  ? 0.779 0.667 0.269 -0.138 0.119  -0.098 48  VAL AAA CA  
361  C  C   . VAL A 48  ? 0.777 0.619 0.236 -0.113 0.074  -0.105 48  VAL AAA C   
362  O  O   . VAL A 48  ? 0.784 0.609 0.319 -0.084 0.161  -0.127 48  VAL AAA O   
363  C  CB  . VAL A 48  ? 0.784 0.732 0.292 -0.138 0.168  -0.054 48  VAL AAA CB  
364  C  CG1 . VAL A 48  ? 0.812 0.764 0.324 -0.150 0.222  -0.043 48  VAL AAA CG1 
365  C  CG2 . VAL A 48  ? 0.865 0.773 0.214 -0.158 0.117  -0.071 48  VAL AAA CG2 
366  N  N   . SER A 49  ? 0.777 0.599 0.205 -0.151 0.056  -0.161 49  SER AAA N   
367  C  CA  A SER A 49  ? 0.752 0.601 0.227 -0.148 0.037  -0.161 49  SER AAA CA  
368  C  CA  B SER A 49  ? 0.766 0.593 0.224 -0.144 0.047  -0.155 49  SER AAA CA  
369  C  C   . SER A 49  ? 0.779 0.558 0.164 -0.140 0.042  -0.131 49  SER AAA C   
370  O  O   . SER A 49  ? 0.804 0.598 0.166 -0.108 0.042  -0.088 49  SER AAA O   
371  C  CB  A SER A 49  ? 0.791 0.644 0.229 -0.142 0.070  -0.195 49  SER AAA CB  
372  C  CB  B SER A 49  ? 0.806 0.620 0.218 -0.139 0.094  -0.179 49  SER AAA CB  
373  O  OG  A SER A 49  ? 0.789 0.710 0.245 -0.130 0.075  -0.179 49  SER AAA OG  
374  O  OG  B SER A 49  ? 0.817 0.614 0.190 -0.127 0.107  -0.179 49  SER AAA OG  
375  N  N   . TRP A 50  ? 0.759 0.568 0.199 -0.127 0.009  -0.080 50  TRP AAA N   
376  C  CA  . TRP A 50  ? 0.752 0.559 0.181 -0.117 -0.007 -0.092 50  TRP AAA CA  
377  C  C   . TRP A 50  ? 0.760 0.609 0.180 -0.147 -0.023 -0.077 50  TRP AAA C   
378  O  O   . TRP A 50  ? 0.797 0.627 0.246 -0.102 0.045  -0.074 50  TRP AAA O   
379  C  CB  . TRP A 50  ? 0.720 0.510 0.161 -0.116 0.026  -0.080 50  TRP AAA CB  
380  C  CG  . TRP A 50  ? 0.677 0.512 0.175 -0.112 0.022  -0.043 50  TRP AAA CG  
381  C  CD1 . TRP A 50  ? 0.674 0.528 0.154 -0.112 0.046  -0.063 50  TRP AAA CD1 
382  C  CD2 . TRP A 50  ? 0.668 0.518 0.233 -0.078 0.021  -0.050 50  TRP AAA CD2 
383  N  NE1 . TRP A 50  ? 0.672 0.496 0.175 -0.098 0.029  -0.088 50  TRP AAA NE1 
384  C  CE2 . TRP A 50  ? 0.642 0.535 0.203 -0.104 0.022  -0.063 50  TRP AAA CE2 
385  C  CE3 . TRP A 50  ? 0.670 0.529 0.259 -0.081 0.026  -0.078 50  TRP AAA CE3 
386  C  CZ2 . TRP A 50  ? 0.643 0.555 0.198 -0.115 -0.002 -0.114 50  TRP AAA CZ2 
387  C  CZ3 . TRP A 50  ? 0.679 0.540 0.313 -0.095 0.032  -0.062 50  TRP AAA CZ3 
388  C  CH2 . TRP A 50  ? 0.653 0.560 0.353 -0.103 0.019  -0.097 50  TRP AAA CH2 
389  N  N   . LEU A 51  ? 0.756 0.647 0.163 -0.158 -0.053 -0.122 51  LEU AAA N   
390  C  CA  . LEU A 51  ? 0.769 0.665 0.157 -0.178 -0.023 -0.183 51  LEU AAA CA  
391  C  C   . LEU A 51  ? 0.756 0.671 0.196 -0.197 0.014  -0.160 51  LEU AAA C   
392  O  O   . LEU A 51  ? 0.701 0.687 0.252 -0.191 0.045  -0.212 51  LEU AAA O   
393  C  CB  . LEU A 51  ? 0.796 0.707 0.180 -0.187 -0.079 -0.171 51  LEU AAA CB  
394  C  CG  . LEU A 51  ? 0.819 0.719 0.248 -0.200 -0.025 -0.188 51  LEU AAA CG  
395  C  CD1 . LEU A 51  ? 0.838 0.715 0.194 -0.196 -0.000 -0.180 51  LEU AAA CD1 
396  C  CD2 . LEU A 51  ? 0.875 0.817 0.303 -0.208 -0.094 -0.142 51  LEU AAA CD2 
397  N  N   . SER A 52  ? 0.728 0.633 0.235 -0.158 0.023  -0.147 52  SER AAA N   
398  C  CA  . SER A 52  ? 0.757 0.602 0.233 -0.173 0.040  -0.140 52  SER AAA CA  
399  C  C   . SER A 52  ? 0.767 0.628 0.222 -0.197 0.027  -0.110 52  SER AAA C   
400  O  O   . SER A 52  ? 0.850 0.620 0.286 -0.208 -0.011 -0.149 52  SER AAA O   
401  C  CB  . SER A 52  ? 0.781 0.563 0.238 -0.147 0.028  -0.152 52  SER AAA CB  
402  O  OG  . SER A 52  ? 0.855 0.601 0.261 -0.131 0.086  -0.109 52  SER AAA OG  
403  N  N   . VAL A 53  ? 0.723 0.672 0.284 -0.215 0.018  -0.127 53  VAL AAA N   
404  C  CA  . VAL A 53  ? 0.801 0.735 0.237 -0.235 -0.015 -0.131 53  VAL AAA CA  
405  C  C   . VAL A 53  ? 0.851 0.666 0.289 -0.267 -0.031 -0.155 53  VAL AAA C   
406  O  O   . VAL A 53  ? 0.975 0.725 0.260 -0.315 -0.024 -0.177 53  VAL AAA O   
407  C  CB  . VAL A 53  ? 0.769 0.750 0.359 -0.224 -0.041 -0.146 53  VAL AAA CB  
408  C  CG1 . VAL A 53  ? 0.786 0.793 0.378 -0.221 -0.056 -0.190 53  VAL AAA CG1 
409  C  CG2 . VAL A 53  ? 0.795 0.730 0.296 -0.218 -0.085 -0.142 53  VAL AAA CG2 
410  N  N   . SER A 54  ? 0.847 0.744 0.290 -0.273 -0.021 -0.157 54  SER AAA N   
411  C  CA  . SER A 54  ? 0.853 0.824 0.277 -0.280 -0.017 -0.152 54  SER AAA CA  
412  C  C   . SER A 54  ? 0.820 0.813 0.283 -0.295 -0.011 -0.166 54  SER AAA C   
413  O  O   . SER A 54  ? 0.945 0.826 0.313 -0.334 -0.004 -0.171 54  SER AAA O   
414  C  CB  . SER A 54  ? 0.887 0.874 0.276 -0.253 0.019  -0.151 54  SER AAA CB  
415  O  OG  . SER A 54  ? 1.023 0.945 0.281 -0.284 -0.092 -0.138 54  SER AAA OG  
416  N  N   . ASP A 55  ? 0.799 0.745 0.334 -0.241 -0.023 -0.187 55  ASP AAA N   
417  C  CA  . ASP A 55  ? 0.848 0.688 0.324 -0.225 0.002  -0.236 55  ASP AAA CA  
418  C  C   . ASP A 55  ? 0.907 0.647 0.327 -0.197 0.034  -0.198 55  ASP AAA C   
419  O  O   . ASP A 55  ? 0.953 0.654 0.303 -0.178 0.088  -0.156 55  ASP AAA O   
420  C  CB  . ASP A 55  ? 0.857 0.776 0.304 -0.129 -0.055 -0.243 55  ASP AAA CB  
421  C  CG  . ASP A 55  ? 0.896 0.795 0.364 -0.146 0.052  -0.165 55  ASP AAA CG  
422  O  OD1 . ASP A 55  ? 0.894 0.874 0.717 -0.168 0.061  -0.146 55  ASP AAA OD1 
423  O  OD2 . ASP A 55  ? 0.837 0.860 0.386 -0.122 0.048  -0.148 55  ASP AAA OD2 
424  N  N   . ASN A 56  ? 0.919 0.672 0.315 -0.227 0.034  -0.198 56  ASN AAA N   
425  C  CA  . ASN A 56  ? 0.911 0.686 0.315 -0.263 0.043  -0.195 56  ASN AAA CA  
426  C  C   . ASN A 56  ? 0.905 0.602 0.252 -0.275 0.053  -0.193 56  ASN AAA C   
427  O  O   . ASN A 56  ? 1.033 0.669 0.279 -0.261 0.057  -0.240 56  ASN AAA O   
428  C  CB  . ASN A 56  ? 0.988 0.717 0.330 -0.287 0.045  -0.227 56  ASN AAA CB  
429  C  CG  . ASN A 56  ? 1.068 0.731 0.326 -0.317 0.044  -0.170 56  ASN AAA CG  
430  O  OD1 . ASN A 56  ? 1.132 0.885 0.277 -0.479 -0.057 -0.146 56  ASN AAA OD1 
431  N  ND2 . ASN A 56  ? 1.129 0.716 0.398 -0.331 0.052  -0.174 56  ASN AAA ND2 
432  N  N   . THR A 57  ? 0.862 0.619 0.225 -0.252 0.038  -0.173 57  THR AAA N   
433  C  CA  . THR A 57  ? 0.856 0.601 0.230 -0.205 0.060  -0.152 57  THR AAA CA  
434  C  C   . THR A 57  ? 0.850 0.596 0.230 -0.158 0.089  -0.128 57  THR AAA C   
435  O  O   . THR A 57  ? 0.839 0.601 0.288 -0.152 0.142  -0.121 57  THR AAA O   
436  C  CB  . THR A 57  ? 0.829 0.596 0.218 -0.221 0.013  -0.129 57  THR AAA CB  
437  O  OG1 . THR A 57  ? 0.981 0.679 0.251 -0.182 0.047  -0.067 57  THR AAA OG1 
438  C  CG2 . THR A 57  ? 0.863 0.602 0.292 -0.172 -0.027 -0.144 57  THR AAA CG2 
439  N  N   . PRO A 58  ? 0.895 0.574 0.229 -0.145 0.080  -0.144 58  PRO AAA N   
440  C  CA  . PRO A 58  ? 0.832 0.565 0.227 -0.142 0.091  -0.160 58  PRO AAA CA  
441  C  C   . PRO A 58  ? 0.823 0.522 0.257 -0.109 0.071  -0.127 58  PRO AAA C   
442  O  O   . PRO A 58  ? 0.778 0.570 0.354 -0.110 0.052  -0.070 58  PRO AAA O   
443  C  CB  . PRO A 58  ? 0.912 0.576 0.261 -0.125 0.132  -0.173 58  PRO AAA CB  
444  C  CG  . PRO A 58  ? 0.960 0.556 0.330 -0.111 0.178  -0.180 58  PRO AAA CG  
445  C  CD  . PRO A 58  ? 0.941 0.576 0.315 -0.130 0.156  -0.142 58  PRO AAA CD  
446  N  N   . THR A 59  ? 0.764 0.559 0.218 -0.120 0.089  -0.131 59  THR AAA N   
447  C  CA  . THR A 59  ? 0.762 0.538 0.251 -0.102 0.073  -0.145 59  THR AAA CA  
448  C  C   . THR A 59  ? 0.739 0.581 0.232 -0.097 0.083  -0.165 59  THR AAA C   
449  O  O   . THR A 59  ? 0.768 0.594 0.218 -0.118 0.049  -0.180 59  THR AAA O   
450  C  CB  . THR A 59  ? 0.747 0.577 0.215 -0.097 0.045  -0.141 59  THR AAA CB  
451  O  OG1 . THR A 59  ? 0.765 0.500 0.250 -0.147 0.031  -0.143 59  THR AAA OG1 
452  C  CG2 . THR A 59  ? 0.708 0.576 0.239 -0.088 0.082  -0.129 59  THR AAA CG2 
453  N  N   . TYR A 60  ? 0.749 0.623 0.262 -0.073 0.106  -0.168 60  TYR AAA N   
454  C  CA  . TYR A 60  ? 0.768 0.627 0.290 -0.088 0.108  -0.139 60  TYR AAA CA  
455  C  C   . TYR A 60  ? 0.740 0.633 0.327 -0.069 0.094  -0.105 60  TYR AAA C   
456  O  O   . TYR A 60  ? 0.730 0.669 0.304 -0.046 0.104  -0.131 60  TYR AAA O   
457  C  CB  . TYR A 60  ? 0.824 0.624 0.360 -0.064 0.127  -0.155 60  TYR AAA CB  
458  C  CG  . TYR A 60  ? 0.846 0.640 0.383 -0.073 0.115  -0.170 60  TYR AAA CG  
459  C  CD1 . TYR A 60  ? 0.853 0.681 0.330 -0.090 0.137  -0.172 60  TYR AAA CD1 
460  C  CD2 . TYR A 60  ? 0.866 0.637 0.404 -0.071 0.113  -0.163 60  TYR AAA CD2 
461  C  CE1 . TYR A 60  ? 0.888 0.678 0.300 -0.113 0.155  -0.197 60  TYR AAA CE1 
462  C  CE2 . TYR A 60  ? 0.924 0.636 0.387 -0.095 0.108  -0.185 60  TYR AAA CE2 
463  C  CZ  . TYR A 60  ? 0.883 0.664 0.413 -0.133 0.085  -0.177 60  TYR AAA CZ  
464  O  OH  . TYR A 60  ? 0.977 0.706 0.350 -0.187 0.071  -0.197 60  TYR AAA OH  
465  N  N   . VAL A 61  ? 0.753 0.630 0.288 -0.043 0.121  -0.104 61  VAL AAA N   
466  C  CA  . VAL A 61  ? 0.749 0.668 0.362 -0.052 0.119  -0.080 61  VAL AAA CA  
467  C  C   . VAL A 61  ? 0.787 0.733 0.408 -0.004 0.151  -0.070 61  VAL AAA C   
468  O  O   . VAL A 61  ? 0.883 0.765 0.366 0.020  0.169  -0.074 61  VAL AAA O   
469  C  CB  . VAL A 61  ? 0.770 0.675 0.343 -0.059 0.120  -0.075 61  VAL AAA CB  
470  C  CG1 . VAL A 61  ? 0.754 0.686 0.325 -0.060 0.123  -0.065 61  VAL AAA CG1 
471  C  CG2 . VAL A 61  ? 0.734 0.666 0.328 -0.072 0.156  -0.128 61  VAL AAA CG2 
472  N  N   . ASP A 62  ? 0.780 0.780 0.422 -0.011 0.152  -0.064 62  ASP AAA N   
473  C  CA  . ASP A 62  ? 0.805 0.835 0.484 0.016  0.166  -0.104 62  ASP AAA CA  
474  C  C   . ASP A 62  ? 0.840 0.800 0.480 0.026  0.166  -0.119 62  ASP AAA C   
475  O  O   . ASP A 62  ? 0.909 0.913 0.516 0.051  0.228  -0.157 62  ASP AAA O   
476  C  CB  . ASP A 62  ? 0.835 0.978 0.546 -0.001 0.123  -0.090 62  ASP AAA CB  
477  C  CG  . ASP A 62  ? 0.947 1.106 0.548 0.012  0.021  -0.030 62  ASP AAA CG  
478  O  OD1 . ASP A 62  ? 0.959 1.179 0.512 -0.003 0.171  -0.136 62  ASP AAA OD1 
479  O  OD2 . ASP A 62  ? 0.990 1.289 0.643 -0.055 -0.034 -0.043 62  ASP AAA OD2 
480  N  N   . SER A 63  ? 0.819 0.794 0.485 -0.020 0.170  -0.127 63  SER AAA N   
481  C  CA  . SER A 63  ? 0.875 0.825 0.504 -0.003 0.216  -0.138 63  SER AAA CA  
482  C  C   . SER A 63  ? 0.871 0.818 0.465 -0.015 0.263  -0.170 63  SER AAA C   
483  O  O   . SER A 63  ? 0.949 0.857 0.536 -0.026 0.373  -0.135 63  SER AAA O   
484  C  CB  . SER A 63  ? 0.878 0.837 0.487 -0.023 0.195  -0.118 63  SER AAA CB  
485  O  OG  . SER A 63  ? 0.920 0.783 0.448 -0.013 0.176  -0.091 63  SER AAA OG  
486  N  N   . VAL A 64  ? 0.862 0.759 0.427 -0.016 0.236  -0.157 64  VAL AAA N   
487  C  CA  . VAL A 64  ? 0.906 0.801 0.459 -0.035 0.211  -0.168 64  VAL AAA CA  
488  C  C   . VAL A 64  ? 0.962 0.801 0.473 -0.035 0.166  -0.139 64  VAL AAA C   
489  O  O   . VAL A 64  ? 0.995 0.845 0.399 -0.060 0.151  -0.084 64  VAL AAA O   
490  C  CB  . VAL A 64  ? 0.873 0.793 0.370 -0.059 0.229  -0.151 64  VAL AAA CB  
491  C  CG1 . VAL A 64  ? 0.889 0.790 0.334 -0.070 0.201  -0.159 64  VAL AAA CG1 
492  C  CG2 . VAL A 64  ? 0.843 0.781 0.373 -0.045 0.219  -0.151 64  VAL AAA CG2 
493  N  N   . LYS A 65  ? 1.029 0.808 0.481 0.040  0.128  -0.206 65  LYS AAA N   
494  C  CA  . LYS A 65  ? 1.117 0.771 0.617 0.057  0.097  -0.173 65  LYS AAA CA  
495  C  C   . LYS A 65  ? 1.200 0.860 0.661 0.090  0.140  -0.280 65  LYS AAA C   
496  O  O   . LYS A 65  ? 1.268 1.062 0.979 -0.059 0.025  -0.152 65  LYS AAA O   
497  C  CB  . LYS A 65  ? 1.159 0.783 0.760 0.101  0.055  -0.138 65  LYS AAA CB  
498  C  CG  . LYS A 65  ? 1.233 0.912 0.767 0.113  0.014  -0.024 65  LYS AAA CG  
499  C  CD  . LYS A 65  ? 1.241 1.021 0.903 0.194  0.001  -0.037 65  LYS AAA CD  
500  C  CE  . LYS A 65  ? 1.330 1.015 0.945 0.256  -0.005 -0.009 65  LYS AAA CE  
501  N  NZ  . LYS A 65  ? 1.289 1.085 1.022 0.335  -0.041 0.003  65  LYS AAA NZ  
502  N  N   . ASP A 66  ? 1.288 0.860 0.572 0.136  0.106  -0.326 66  ASP AAA N   
503  C  CA  . ASP A 66  ? 1.306 0.847 0.682 0.061  0.117  -0.331 66  ASP AAA CA  
504  C  C   . ASP A 66  ? 1.300 0.840 0.612 0.045  0.188  -0.381 66  ASP AAA C   
505  O  O   . ASP A 66  ? 1.382 0.834 0.709 0.029  0.180  -0.418 66  ASP AAA O   
506  C  CB  . ASP A 66  ? 1.333 0.994 0.814 0.132  0.143  -0.286 66  ASP AAA CB  
507  C  CG  . ASP A 66  ? 1.272 1.047 0.909 0.132  0.093  -0.191 66  ASP AAA CG  
508  O  OD1 . ASP A 66  ? 1.333 1.020 0.947 0.079  0.066  -0.145 66  ASP AAA OD1 
509  O  OD2 . ASP A 66  ? 1.246 1.244 1.099 0.178  0.068  -0.183 66  ASP AAA OD2 
510  N  N   . ARG A 67  ? 1.218 0.846 0.521 0.001  0.212  -0.348 67  ARG AAA N   
511  C  CA  . ARG A 67  ? 1.194 0.913 0.543 -0.035 0.196  -0.313 67  ARG AAA CA  
512  C  C   . ARG A 67  ? 1.141 0.901 0.476 -0.111 0.171  -0.324 67  ARG AAA C   
513  O  O   . ARG A 67  ? 1.151 0.960 0.419 -0.131 0.235  -0.373 67  ARG AAA O   
514  C  CB  . ARG A 67  ? 1.196 0.967 0.561 -0.046 0.220  -0.272 67  ARG AAA CB  
515  C  CG  . ARG A 67  ? 1.223 1.000 0.683 -0.006 0.189  -0.256 67  ARG AAA CG  
516  C  CD  . ARG A 67  ? 1.213 1.004 0.683 -0.007 0.191  -0.266 67  ARG AAA CD  
517  N  NE  . ARG A 67  ? 1.175 0.985 0.646 0.007  0.146  -0.242 67  ARG AAA NE  
518  C  CZ  . ARG A 67  ? 1.166 0.950 0.548 0.003  0.160  -0.297 67  ARG AAA CZ  
519  N  NH1 . ARG A 67  ? 1.229 0.996 0.531 -0.014 0.171  -0.251 67  ARG AAA NH1 
520  N  NH2 . ARG A 67  ? 1.136 0.900 0.527 -0.051 0.173  -0.253 67  ARG AAA NH2 
521  N  N   . PHE A 68  ? 1.074 0.898 0.457 -0.091 0.163  -0.291 68  PHE AAA N   
522  C  CA  . PHE A 68  ? 1.052 0.821 0.391 -0.129 0.160  -0.264 68  PHE AAA CA  
523  C  C   . PHE A 68  ? 1.050 0.817 0.453 -0.152 0.141  -0.251 68  PHE AAA C   
524  O  O   . PHE A 68  ? 1.041 0.743 0.567 -0.155 0.158  -0.189 68  PHE AAA O   
525  C  CB  . PHE A 68  ? 1.009 0.832 0.298 -0.123 0.148  -0.243 68  PHE AAA CB  
526  C  CG  . PHE A 68  ? 1.030 0.816 0.309 -0.135 0.165  -0.251 68  PHE AAA CG  
527  C  CD1 . PHE A 68  ? 1.112 0.888 0.365 -0.114 0.234  -0.241 68  PHE AAA CD1 
528  C  CD2 . PHE A 68  ? 0.989 0.757 0.399 -0.167 0.133  -0.201 68  PHE AAA CD2 
529  C  CE1 . PHE A 68  ? 1.164 0.886 0.434 -0.139 0.204  -0.217 68  PHE AAA CE1 
530  C  CE2 . PHE A 68  ? 0.948 0.770 0.364 -0.185 0.131  -0.216 68  PHE AAA CE2 
531  C  CZ  . PHE A 68  ? 1.104 0.867 0.319 -0.167 0.154  -0.197 68  PHE AAA CZ  
532  N  N   . THR A 69  ? 1.060 0.792 0.378 -0.157 0.137  -0.268 69  THR AAA N   
533  C  CA  . THR A 69  ? 1.048 0.791 0.412 -0.149 0.148  -0.271 69  THR AAA CA  
534  C  C   . THR A 69  ? 1.012 0.787 0.351 -0.169 0.114  -0.228 69  THR AAA C   
535  O  O   . THR A 69  ? 1.125 0.903 0.309 -0.264 0.060  -0.340 69  THR AAA O   
536  C  CB  . THR A 69  ? 1.138 0.773 0.497 -0.165 0.166  -0.279 69  THR AAA CB  
537  O  OG1 . THR A 69  ? 1.180 0.796 0.479 -0.129 0.185  -0.304 69  THR AAA OG1 
538  C  CG2 . THR A 69  ? 1.131 0.781 0.555 -0.174 0.164  -0.279 69  THR AAA CG2 
539  N  N   . ILE A 70  ? 1.031 0.733 0.310 -0.153 0.076  -0.231 70  ILE AAA N   
540  C  CA  . ILE A 70  ? 1.000 0.710 0.289 -0.176 0.049  -0.206 70  ILE AAA CA  
541  C  C   . ILE A 70  ? 1.042 0.709 0.358 -0.204 0.010  -0.197 70  ILE AAA C   
542  O  O   . ILE A 70  ? 1.063 0.719 0.481 -0.192 0.071  -0.138 70  ILE AAA O   
543  C  CB  . ILE A 70  ? 0.934 0.691 0.264 -0.167 0.061  -0.177 70  ILE AAA CB  
544  C  CG1 . ILE A 70  ? 0.885 0.707 0.270 -0.188 0.070  -0.158 70  ILE AAA CG1 
545  C  CG2 . ILE A 70  ? 0.939 0.658 0.353 -0.146 0.058  -0.077 70  ILE AAA CG2 
546  C  CD1 . ILE A 70  ? 0.824 0.654 0.321 -0.172 0.086  -0.143 70  ILE AAA CD1 
547  N  N   . SER A 71  ? 1.041 0.763 0.357 -0.208 0.008  -0.212 71  SER AAA N   
548  C  CA  . SER A 71  ? 1.055 0.808 0.342 -0.240 -0.042 -0.273 71  SER AAA CA  
549  C  C   . SER A 71  ? 1.039 0.870 0.342 -0.247 -0.082 -0.225 71  SER AAA C   
550  O  O   . SER A 71  ? 1.020 0.900 0.312 -0.239 -0.076 -0.177 71  SER AAA O   
551  C  CB  . SER A 71  ? 1.142 0.872 0.401 -0.264 -0.052 -0.359 71  SER AAA CB  
552  O  OG  . SER A 71  ? 1.271 1.048 0.419 -0.255 -0.114 -0.392 71  SER AAA OG  
553  N  N   . ARG A 72  ? 1.051 0.919 0.373 -0.252 -0.070 -0.199 72  ARG AAA N   
554  C  CA  . ARG A 72  ? 1.039 0.925 0.411 -0.259 -0.048 -0.186 72  ARG AAA CA  
555  C  C   . ARG A 72  ? 1.156 0.911 0.441 -0.295 -0.028 -0.232 72  ARG AAA C   
556  O  O   . ARG A 72  ? 1.180 0.895 0.484 -0.312 0.016  -0.252 72  ARG AAA O   
557  C  CB  . ARG A 72  ? 0.998 0.903 0.422 -0.271 -0.060 -0.213 72  ARG AAA CB  
558  C  CG  . ARG A 72  ? 0.952 0.961 0.451 -0.305 -0.087 -0.219 72  ARG AAA CG  
559  C  CD  . ARG A 72  ? 0.932 1.046 0.391 -0.271 -0.042 -0.166 72  ARG AAA CD  
560  N  NE  . ARG A 72  ? 0.914 1.107 0.433 -0.290 -0.095 -0.164 72  ARG AAA NE  
561  C  CZ  . ARG A 72  ? 0.994 1.120 0.607 -0.322 -0.087 -0.101 72  ARG AAA CZ  
562  N  NH1 . ARG A 72  ? 1.154 1.086 0.591 -0.324 -0.051 -0.145 72  ARG AAA NH1 
563  N  NH2 . ARG A 72  ? 1.026 1.181 0.716 -0.256 -0.093 -0.047 72  ARG AAA NH2 
564  N  N   . HIS A 73  ? 1.180 0.980 0.492 -0.312 -0.089 -0.240 73  HIS AAA N   
565  C  CA  . HIS A 73  ? 1.248 1.093 0.630 -0.387 -0.135 -0.235 73  HIS AAA CA  
566  C  C   . HIS A 73  ? 1.215 1.104 0.667 -0.380 -0.149 -0.208 73  HIS AAA C   
567  O  O   . HIS A 73  ? 1.236 1.111 0.587 -0.376 -0.230 -0.198 73  HIS AAA O   
568  C  CB  . HIS A 73  ? 1.336 1.187 0.625 -0.386 -0.201 -0.281 73  HIS AAA CB  
569  C  CG  . HIS A 73  ? 1.477 1.177 0.852 -0.392 -0.204 -0.318 73  HIS AAA CG  
570  N  ND1 . HIS A 73  ? 1.483 1.210 0.890 -0.373 -0.204 -0.298 73  HIS AAA ND1 
571  C  CD2 . HIS A 73  ? 1.524 1.306 0.917 -0.452 -0.230 -0.323 73  HIS AAA CD2 
572  C  CE1 . HIS A 73  ? 1.608 1.196 0.986 -0.434 -0.151 -0.305 73  HIS AAA CE1 
573  N  NE2 . HIS A 73  ? 1.610 1.290 0.984 -0.454 -0.169 -0.289 73  HIS AAA NE2 
574  N  N   . ASN A 74  ? 1.240 1.174 0.643 -0.402 -0.145 -0.191 74  ASN AAA N   
575  C  CA  . ASN A 74  ? 1.199 1.196 0.735 -0.390 -0.141 -0.176 74  ASN AAA CA  
576  C  C   . ASN A 74  ? 1.203 1.267 0.757 -0.374 -0.148 -0.164 74  ASN AAA C   
577  O  O   . ASN A 74  ? 1.293 1.299 0.577 -0.359 -0.242 -0.229 74  ASN AAA O   
578  C  CB  . ASN A 74  ? 1.292 1.212 0.819 -0.399 -0.119 -0.140 74  ASN AAA CB  
579  C  CG  . ASN A 74  ? 1.292 1.221 0.849 -0.357 -0.086 -0.120 74  ASN AAA CG  
580  O  OD1 . ASN A 74  ? 1.354 1.104 0.882 -0.298 -0.112 -0.070 74  ASN AAA OD1 
581  N  ND2 . ASN A 74  ? 1.345 1.246 1.022 -0.420 -0.069 -0.159 74  ASN AAA ND2 
582  N  N   . ALA A 75  ? 1.243 1.330 0.781 -0.465 -0.178 -0.170 75  ALA AAA N   
583  C  CA  . ALA A 75  ? 1.214 1.447 0.860 -0.475 -0.199 -0.183 75  ALA AAA CA  
584  C  C   . ALA A 75  ? 1.176 1.474 0.879 -0.405 -0.169 -0.137 75  ALA AAA C   
585  O  O   . ALA A 75  ? 1.156 1.621 0.983 -0.379 -0.169 -0.123 75  ALA AAA O   
586  C  CB  . ALA A 75  ? 1.293 1.479 0.864 -0.516 -0.242 -0.211 75  ALA AAA CB  
587  N  N   . ASN A 76  ? 1.186 1.464 0.795 -0.411 -0.171 -0.158 76  ASN AAA N   
588  C  CA  . ASN A 76  ? 1.146 1.460 0.667 -0.378 -0.212 -0.183 76  ASN AAA CA  
589  C  C   . ASN A 76  ? 1.137 1.414 0.632 -0.337 -0.206 -0.171 76  ASN AAA C   
590  O  O   . ASN A 76  ? 1.260 1.442 0.485 -0.255 -0.248 -0.099 76  ASN AAA O   
591  C  CB  . ASN A 76  ? 1.244 1.499 0.563 -0.351 -0.270 -0.172 76  ASN AAA CB  
592  C  CG  . ASN A 76  ? 1.258 1.427 0.541 -0.315 -0.175 -0.202 76  ASN AAA CG  
593  O  OD1 . ASN A 76  ? 1.200 1.435 0.649 -0.333 -0.321 -0.241 76  ASN AAA OD1 
594  N  ND2 . ASN A 76  ? 1.333 1.482 0.494 -0.292 -0.194 -0.232 76  ASN AAA ND2 
595  N  N   . ASN A 77  ? 0.996 1.314 0.619 -0.374 -0.231 -0.229 77  ASN AAA N   
596  C  CA  . ASN A 77  ? 1.014 1.316 0.507 -0.315 -0.168 -0.217 77  ASN AAA CA  
597  C  C   . ASN A 77  ? 1.084 1.146 0.385 -0.312 -0.156 -0.210 77  ASN AAA C   
598  O  O   . ASN A 77  ? 1.238 1.221 0.355 -0.276 -0.149 -0.233 77  ASN AAA O   
599  C  CB  . ASN A 77  ? 0.970 1.371 0.652 -0.278 -0.207 -0.205 77  ASN AAA CB  
600  C  CG  . ASN A 77  ? 0.959 1.417 0.675 -0.294 -0.131 -0.179 77  ASN AAA CG  
601  O  OD1 . ASN A 77  ? 0.922 1.427 1.163 -0.350 -0.311 -0.112 77  ASN AAA OD1 
602  N  ND2 . ASN A 77  ? 0.915 1.497 0.887 -0.416 -0.235 -0.214 77  ASN AAA ND2 
603  N  N   . THR A 78  ? 1.078 1.170 0.355 -0.329 -0.177 -0.193 78  THR AAA N   
604  C  CA  . THR A 78  ? 1.055 1.090 0.314 -0.324 -0.190 -0.233 78  THR AAA CA  
605  C  C   . THR A 78  ? 1.081 1.021 0.311 -0.323 -0.169 -0.209 78  THR AAA C   
606  O  O   . THR A 78  ? 1.213 1.031 0.367 -0.301 -0.141 -0.224 78  THR AAA O   
607  C  CB  . THR A 78  ? 1.111 1.156 0.316 -0.337 -0.187 -0.243 78  THR AAA CB  
608  O  OG1 . THR A 78  ? 1.129 1.298 0.339 -0.335 -0.208 -0.178 78  THR AAA OG1 
609  C  CG2 . THR A 78  ? 1.116 1.143 0.294 -0.307 -0.175 -0.192 78  THR AAA CG2 
610  N  N   . VAL A 79  ? 0.993 0.985 0.280 -0.284 -0.144 -0.180 79  VAL AAA N   
611  C  CA  . VAL A 79  ? 0.970 0.959 0.267 -0.272 -0.116 -0.259 79  VAL AAA CA  
612  C  C   . VAL A 79  ? 1.034 0.971 0.289 -0.245 -0.093 -0.133 79  VAL AAA C   
613  O  O   . VAL A 79  ? 1.023 0.979 0.309 -0.253 -0.154 -0.120 79  VAL AAA O   
614  C  CB  . VAL A 79  ? 0.901 0.901 0.242 -0.233 -0.099 -0.231 79  VAL AAA CB  
615  C  CG1 . VAL A 79  ? 0.894 0.876 0.252 -0.167 -0.000 -0.172 79  VAL AAA CG1 
616  C  CG2 . VAL A 79  ? 0.867 0.960 0.282 -0.201 -0.079 -0.194 79  VAL AAA CG2 
617  N  N   . TYR A 80  ? 1.060 0.970 0.277 -0.253 -0.047 -0.140 80  TYR AAA N   
618  C  CA  . TYR A 80  ? 1.037 0.990 0.282 -0.285 -0.041 -0.169 80  TYR AAA CA  
619  C  C   . TYR A 80  ? 1.018 0.877 0.296 -0.312 -0.024 -0.177 80  TYR AAA C   
620  O  O   . TYR A 80  ? 1.097 0.979 0.263 -0.366 0.003  -0.185 80  TYR AAA O   
621  C  CB  . TYR A 80  ? 1.102 1.058 0.307 -0.292 -0.010 -0.231 80  TYR AAA CB  
622  C  CG  . TYR A 80  ? 1.156 1.164 0.320 -0.323 -0.070 -0.213 80  TYR AAA CG  
623  C  CD1 . TYR A 80  ? 1.145 1.264 0.354 -0.326 -0.092 -0.163 80  TYR AAA CD1 
624  C  CD2 . TYR A 80  ? 1.145 1.175 0.377 -0.367 -0.113 -0.210 80  TYR AAA CD2 
625  C  CE1 . TYR A 80  ? 1.220 1.366 0.300 -0.373 -0.154 -0.192 80  TYR AAA CE1 
626  C  CE2 . TYR A 80  ? 1.196 1.308 0.457 -0.382 -0.191 -0.112 80  TYR AAA CE2 
627  C  CZ  . TYR A 80  ? 1.191 1.385 0.345 -0.399 -0.189 -0.188 80  TYR AAA CZ  
628  O  OH  . TYR A 80  ? 1.197 1.495 0.514 -0.460 -0.229 -0.174 80  TYR AAA OH  
629  N  N   . LEU A 81  ? 1.048 0.873 0.280 -0.318 0.001  -0.201 81  LEU AAA N   
630  C  CA  . LEU A 81  ? 1.041 0.888 0.249 -0.254 0.072  -0.206 81  LEU AAA CA  
631  C  C   . LEU A 81  ? 1.141 0.878 0.265 -0.258 0.089  -0.225 81  LEU AAA C   
632  O  O   . LEU A 81  ? 1.273 1.086 0.214 -0.245 0.071  -0.229 81  LEU AAA O   
633  C  CB  . LEU A 81  ? 0.978 0.894 0.225 -0.265 0.068  -0.173 81  LEU AAA CB  
634  C  CG  . LEU A 81  ? 0.964 0.875 0.246 -0.216 0.090  -0.172 81  LEU AAA CG  
635  C  CD1 . LEU A 81  ? 0.928 0.810 0.250 -0.230 0.096  -0.183 81  LEU AAA CD1 
636  C  CD2 . LEU A 81  ? 0.961 0.872 0.189 -0.208 0.108  -0.188 81  LEU AAA CD2 
637  N  N   . GLN A 82  ? 1.172 0.898 0.300 -0.219 0.116  -0.314 82  GLN AAA N   
638  C  CA  . GLN A 82  ? 1.238 1.001 0.311 -0.218 0.138  -0.294 82  GLN AAA CA  
639  C  C   . GLN A 82  ? 1.216 1.021 0.313 -0.191 0.145  -0.281 82  GLN AAA C   
640  O  O   . GLN A 82  ? 1.206 1.025 0.393 -0.114 0.212  -0.174 82  GLN AAA O   
641  C  CB  . GLN A 82  ? 1.278 1.009 0.356 -0.237 0.139  -0.329 82  GLN AAA CB  
642  C  CG  . GLN A 82  ? 1.351 1.026 0.390 -0.236 0.166  -0.365 82  GLN AAA CG  
643  C  CD  . GLN A 82  ? 1.366 1.131 0.401 -0.277 0.134  -0.320 82  GLN AAA CD  
644  O  OE1 . GLN A 82  ? 1.460 1.218 0.331 -0.229 0.119  -0.348 82  GLN AAA OE1 
645  N  NE2 . GLN A 82  ? 1.371 1.137 0.353 -0.306 0.084  -0.361 82  GLN AAA NE2 
646  N  N   . MET A 83  ? 1.267 0.987 0.309 -0.216 0.120  -0.284 83  MET AAA N   
647  C  CA  . MET A 83  ? 1.236 0.998 0.304 -0.167 0.173  -0.294 83  MET AAA CA  
648  C  C   . MET A 83  ? 1.306 1.041 0.352 -0.143 0.207  -0.317 83  MET AAA C   
649  O  O   . MET A 83  ? 1.391 1.155 0.357 -0.193 0.172  -0.305 83  MET AAA O   
650  C  CB  . MET A 83  ? 1.217 0.994 0.268 -0.147 0.197  -0.307 83  MET AAA CB  
651  C  CG  . MET A 83  ? 1.192 1.001 0.240 -0.140 0.179  -0.272 83  MET AAA CG  
652  S  SD  . MET A 83  ? 1.304 1.000 0.334 -0.121 0.124  -0.231 83  MET AAA SD  
653  C  CE  . MET A 83  ? 1.295 1.119 0.342 -0.133 0.143  -0.151 83  MET AAA CE  
654  N  N   . ASN A 84  ? 1.310 1.025 0.407 -0.129 0.220  -0.336 84  ASN AAA N   
655  C  CA  . ASN A 84  ? 1.381 1.058 0.455 -0.124 0.266  -0.358 84  ASN AAA CA  
656  C  C   . ASN A 84  ? 1.360 1.054 0.416 -0.095 0.297  -0.364 84  ASN AAA C   
657  O  O   . ASN A 84  ? 1.308 1.041 0.408 -0.080 0.310  -0.336 84  ASN AAA O   
658  C  CB  . ASN A 84  ? 1.433 1.054 0.554 -0.116 0.280  -0.349 84  ASN AAA CB  
659  C  CG  . ASN A 84  ? 1.462 1.052 0.574 -0.167 0.260  -0.298 84  ASN AAA CG  
660  O  OD1 . ASN A 84  ? 1.486 1.124 0.454 -0.178 0.251  -0.320 84  ASN AAA OD1 
661  N  ND2 . ASN A 84  ? 1.512 1.032 0.655 -0.138 0.211  -0.252 84  ASN AAA ND2 
662  N  N   . MET A 85  ? 1.449 1.126 0.453 -0.071 0.333  -0.374 85  MET AAA N   
663  C  CA  . MET A 85  ? 1.434 1.172 0.519 -0.039 0.347  -0.329 85  MET AAA CA  
664  C  C   . MET A 85  ? 1.362 1.159 0.497 -0.061 0.338  -0.274 85  MET AAA C   
665  O  O   . MET A 85  ? 1.332 1.175 0.532 -0.052 0.322  -0.252 85  MET AAA O   
666  C  CB  . MET A 85  ? 1.444 1.164 0.652 0.000  0.352  -0.273 85  MET AAA CB  
667  C  CG  . MET A 85  ? 1.554 1.156 0.752 0.008  0.340  -0.249 85  MET AAA CG  
668  S  SD  . MET A 85  ? 1.620 1.179 1.129 0.033  0.236  -0.055 85  MET AAA SD  
669  C  CE  . MET A 85  ? 1.567 1.219 1.072 0.069  0.276  -0.083 85  MET AAA CE  
670  N  N   . LEU A 86  ? 1.349 1.167 0.459 -0.064 0.344  -0.280 86  LEU AAA N   
671  C  CA  . LEU A 86  ? 1.280 1.162 0.416 -0.069 0.319  -0.262 86  LEU AAA CA  
672  C  C   . LEU A 86  ? 1.273 1.207 0.489 -0.064 0.325  -0.247 86  LEU AAA C   
673  O  O   . LEU A 86  ? 1.323 1.269 0.517 -0.057 0.364  -0.258 86  LEU AAA O   
674  C  CB  . LEU A 86  ? 1.323 1.183 0.353 -0.084 0.312  -0.237 86  LEU AAA CB  
675  C  CG  . LEU A 86  ? 1.280 1.124 0.341 -0.089 0.262  -0.246 86  LEU AAA CG  
676  C  CD1 . LEU A 86  ? 1.337 1.163 0.330 -0.119 0.223  -0.236 86  LEU AAA CD1 
677  C  CD2 . LEU A 86  ? 1.203 1.088 0.278 -0.088 0.269  -0.187 86  LEU AAA CD2 
678  N  N   . LYS A 87  ? 1.188 1.180 0.524 -0.059 0.289  -0.217 87  LYS AAA N   
679  C  CA  . LYS A 87  ? 1.191 1.220 0.575 -0.070 0.279  -0.184 87  LYS AAA CA  
680  C  C   . LYS A 87  ? 1.148 1.223 0.522 -0.100 0.263  -0.140 87  LYS AAA C   
681  O  O   . LYS A 87  ? 1.110 1.189 0.400 -0.128 0.222  -0.124 87  LYS AAA O   
682  C  CB  . LYS A 87  ? 1.141 1.218 0.665 -0.036 0.263  -0.149 87  LYS AAA CB  
683  C  CG  . LYS A 87  ? 1.197 1.222 0.736 -0.017 0.245  -0.156 87  LYS AAA CG  
684  C  CD  . LYS A 87  ? 1.176 1.241 0.758 0.015  0.264  -0.132 87  LYS AAA CD  
685  C  CE  . LYS A 87  ? 1.110 1.193 0.741 0.030  0.216  -0.138 87  LYS AAA CE  
686  N  NZ  . LYS A 87  ? 1.103 1.215 0.804 0.065  0.222  -0.076 87  LYS AAA NZ  
687  N  N   . PRO A 88  ? 1.166 1.273 0.511 -0.085 0.316  -0.123 88  PRO AAA N   
688  C  CA  . PRO A 88  ? 1.175 1.274 0.524 -0.110 0.311  -0.108 88  PRO AAA CA  
689  C  C   . PRO A 88  ? 1.118 1.177 0.495 -0.128 0.264  -0.080 88  PRO AAA C   
690  O  O   . PRO A 88  ? 1.142 1.134 0.461 -0.158 0.264  -0.062 88  PRO AAA O   
691  C  CB  . PRO A 88  ? 1.190 1.359 0.582 -0.111 0.346  -0.096 88  PRO AAA CB  
692  C  CG  . PRO A 88  ? 1.238 1.407 0.622 -0.080 0.381  -0.120 88  PRO AAA CG  
693  C  CD  . PRO A 88  ? 1.201 1.357 0.611 -0.062 0.373  -0.146 88  PRO AAA CD  
694  N  N   . GLU A 89  ? 1.070 1.151 0.530 -0.119 0.238  -0.077 89  GLU AAA N   
695  C  CA  . GLU A 89  ? 1.043 1.093 0.529 -0.115 0.173  -0.088 89  GLU AAA CA  
696  C  C   . GLU A 89  ? 1.019 1.004 0.428 -0.113 0.112  -0.115 89  GLU AAA C   
697  O  O   . GLU A 89  ? 1.218 0.984 0.404 -0.106 -0.007 -0.093 89  GLU AAA O   
698  C  CB  . GLU A 89  ? 0.996 1.106 0.648 -0.089 0.122  -0.093 89  GLU AAA CB  
699  C  CG  . GLU A 89  ? 1.023 1.097 0.664 -0.077 0.157  -0.096 89  GLU AAA CG  
700  C  CD  . GLU A 89  ? 0.988 1.126 0.753 -0.028 0.193  -0.048 89  GLU AAA CD  
701  O  OE1 . GLU A 89  ? 0.998 1.230 0.826 -0.016 0.227  -0.032 89  GLU AAA OE1 
702  O  OE2 . GLU A 89  ? 1.038 0.963 0.851 -0.130 0.251  -0.078 89  GLU AAA OE2 
703  N  N   . ASP A 90  ? 1.061 0.998 0.320 -0.101 0.164  -0.123 90  ASP AAA N   
704  C  CA  . ASP A 90  ? 1.055 0.953 0.269 -0.118 0.145  -0.121 90  ASP AAA CA  
705  C  C   . ASP A 90  ? 1.043 0.959 0.263 -0.138 0.157  -0.083 90  ASP AAA C   
706  O  O   . ASP A 90  ? 1.040 0.937 0.285 -0.155 0.152  -0.046 90  ASP AAA O   
707  C  CB  . ASP A 90  ? 1.097 0.950 0.285 -0.119 0.158  -0.143 90  ASP AAA CB  
708  C  CG  . ASP A 90  ? 1.112 0.943 0.324 -0.086 0.152  -0.164 90  ASP AAA CG  
709  O  OD1 . ASP A 90  ? 1.118 0.922 0.330 -0.075 0.120  -0.168 90  ASP AAA OD1 
710  O  OD2 . ASP A 90  ? 1.172 1.020 0.321 -0.086 0.221  -0.191 90  ASP AAA OD2 
711  N  N   . THR A 91  ? 1.082 1.007 0.259 -0.145 0.184  -0.073 91  THR AAA N   
712  C  CA  . THR A 91  ? 1.071 1.022 0.219 -0.169 0.168  -0.065 91  THR AAA CA  
713  C  C   . THR A 91  ? 1.032 1.006 0.186 -0.169 0.149  -0.043 91  THR AAA C   
714  O  O   . THR A 91  ? 1.105 1.059 0.208 -0.153 0.144  -0.065 91  THR AAA O   
715  C  CB  . THR A 91  ? 1.099 1.091 0.237 -0.180 0.196  -0.058 91  THR AAA CB  
716  O  OG1 . THR A 91  ? 1.138 1.140 0.266 -0.163 0.233  -0.089 91  THR AAA OG1 
717  C  CG2 . THR A 91  ? 1.127 1.099 0.224 -0.210 0.182  -0.024 91  THR AAA CG2 
718  N  N   . ALA A 92  ? 1.047 1.001 0.176 -0.162 0.091  -0.021 92  ALA AAA N   
719  C  CA  . ALA A 92  ? 1.006 0.935 0.167 -0.172 0.072  0.002  92  ALA AAA CA  
720  C  C   . ALA A 92  ? 1.036 0.923 0.182 -0.175 0.014  -0.007 92  ALA AAA C   
721  O  O   . ALA A 92  ? 1.103 1.015 0.181 -0.167 0.055  -0.094 92  ALA AAA O   
722  C  CB  . ALA A 92  ? 0.948 0.888 0.189 -0.150 0.067  0.016  92  ALA AAA CB  
723  N  N   . ILE A 93  ? 1.016 0.927 0.182 -0.180 0.025  -0.001 93  ILE AAA N   
724  C  CA  . ILE A 93  ? 1.016 0.939 0.188 -0.186 0.059  0.015  93  ILE AAA CA  
725  C  C   . ILE A 93  ? 0.994 0.894 0.157 -0.203 0.019  -0.009 93  ILE AAA C   
726  O  O   . ILE A 93  ? 0.931 0.824 0.193 -0.238 0.054  -0.090 93  ILE AAA O   
727  C  CB  . ILE A 93  ? 1.045 0.935 0.314 -0.169 0.045  0.101  93  ILE AAA CB  
728  C  CG1 . ILE A 93  ? 1.154 1.035 0.284 -0.146 0.091  0.123  93  ILE AAA CG1 
729  C  CG2 . ILE A 93  ? 1.045 0.959 0.281 -0.125 -0.033 0.103  93  ILE AAA CG2 
730  C  CD1 . ILE A 93  ? 1.204 1.032 0.230 -0.120 0.105  0.138  93  ILE AAA CD1 
731  N  N   . TYR A 94  ? 0.975 0.889 0.126 -0.190 0.030  -0.019 94  TYR AAA N   
732  C  CA  . TYR A 94  ? 0.900 0.858 0.095 -0.175 0.020  -0.048 94  TYR AAA CA  
733  C  C   . TYR A 94  ? 0.899 0.872 0.111 -0.152 0.000  -0.039 94  TYR AAA C   
734  O  O   . TYR A 94  ? 0.990 0.942 0.153 -0.150 -0.056 -0.045 94  TYR AAA O   
735  C  CB  . TYR A 94  ? 0.897 0.864 0.115 -0.156 0.022  -0.055 94  TYR AAA CB  
736  C  CG  . TYR A 94  ? 0.880 0.863 0.128 -0.172 0.059  -0.050 94  TYR AAA CG  
737  C  CD1 . TYR A 94  ? 0.920 0.863 0.140 -0.156 0.099  -0.050 94  TYR AAA CD1 
738  C  CD2 . TYR A 94  ? 0.850 0.808 0.208 -0.137 0.093  -0.063 94  TYR AAA CD2 
739  C  CE1 . TYR A 94  ? 0.919 0.875 0.145 -0.155 0.128  -0.067 94  TYR AAA CE1 
740  C  CE2 . TYR A 94  ? 0.856 0.829 0.207 -0.127 0.095  -0.053 94  TYR AAA CE2 
741  C  CZ  . TYR A 94  ? 0.878 0.836 0.197 -0.128 0.119  -0.080 94  TYR AAA CZ  
742  O  OH  . TYR A 94  ? 0.888 0.953 0.245 -0.093 0.125  -0.052 94  TYR AAA OH  
743  N  N   . TYR A 95  ? 0.851 0.838 0.090 -0.126 -0.048 -0.006 95  TYR AAA N   
744  C  CA  . TYR A 95  ? 0.828 0.758 0.154 -0.140 -0.066 -0.046 95  TYR AAA CA  
745  C  C   . TYR A 95  ? 0.808 0.777 0.220 -0.132 -0.040 -0.019 95  TYR AAA C   
746  O  O   . TYR A 95  ? 0.770 0.963 0.167 -0.195 -0.065 0.016  95  TYR AAA O   
747  C  CB  . TYR A 95  ? 0.821 0.728 0.113 -0.103 -0.071 -0.018 95  TYR AAA CB  
748  C  CG  . TYR A 95  ? 0.892 0.758 0.159 -0.093 -0.000 0.018  95  TYR AAA CG  
749  C  CD1 . TYR A 95  ? 0.899 0.789 0.200 -0.115 -0.001 0.019  95  TYR AAA CD1 
750  C  CD2 . TYR A 95  ? 0.959 0.787 0.182 -0.079 -0.030 0.078  95  TYR AAA CD2 
751  C  CE1 . TYR A 95  ? 1.032 0.776 0.258 -0.103 -0.029 0.059  95  TYR AAA CE1 
752  C  CE2 . TYR A 95  ? 1.057 0.786 0.188 -0.081 -0.003 0.081  95  TYR AAA CE2 
753  C  CZ  . TYR A 95  ? 1.052 0.802 0.272 -0.084 -0.027 0.078  95  TYR AAA CZ  
754  O  OH  . TYR A 95  ? 1.304 0.771 0.324 -0.062 -0.079 0.130  95  TYR AAA OH  
755  N  N   . CYS A 96  ? 0.815 0.836 0.157 -0.153 -0.049 -0.017 96  CYS AAA N   
756  C  CA  . CYS A 96  ? 0.787 0.793 0.190 -0.148 0.005  -0.059 96  CYS AAA CA  
757  C  C   . CYS A 96  ? 0.818 0.773 0.174 -0.124 0.013  -0.028 96  CYS AAA C   
758  O  O   . CYS A 96  ? 0.913 0.817 0.130 -0.141 -0.067 0.009  96  CYS AAA O   
759  C  CB  . CYS A 96  ? 0.869 0.881 0.345 -0.191 -0.045 -0.130 96  CYS AAA CB  
760  S  SG  . CYS A 96  ? 0.918 0.977 0.506 -0.210 -0.158 -0.133 96  CYS AAA SG  
761  N  N   . ALA A 97  ? 0.787 0.683 0.190 -0.126 -0.055 -0.017 97  ALA AAA N   
762  C  CA  . ALA A 97  ? 0.683 0.719 0.164 -0.141 -0.080 -0.023 97  ALA AAA CA  
763  C  C   . ALA A 97  ? 0.683 0.666 0.258 -0.131 -0.083 0.005  97  ALA AAA C   
764  O  O   . ALA A 97  ? 0.744 0.674 0.159 -0.110 -0.063 -0.018 97  ALA AAA O   
765  C  CB  . ALA A 97  ? 0.661 0.700 0.237 -0.127 -0.078 -0.051 97  ALA AAA CB  
766  N  N   . ALA A 98  ? 0.713 0.751 0.159 -0.099 -0.112 -0.018 98  ALA AAA N   
767  C  CA  . ALA A 98  ? 0.686 0.671 0.180 -0.130 -0.112 -0.079 98  ALA AAA CA  
768  C  C   . ALA A 98  ? 0.668 0.649 0.170 -0.091 -0.086 -0.046 98  ALA AAA C   
769  O  O   . ALA A 98  ? 0.708 0.650 0.183 -0.113 -0.143 -0.028 98  ALA AAA O   
770  C  CB  . ALA A 98  ? 0.757 0.747 0.224 -0.128 -0.198 -0.071 98  ALA AAA CB  
771  N  N   . GLY A 99  ? 0.639 0.642 0.173 -0.068 -0.053 -0.043 99  GLY AAA N   
772  C  CA  . GLY A 99  ? 0.640 0.654 0.184 -0.069 -0.042 -0.062 99  GLY AAA CA  
773  C  C   . GLY A 99  ? 0.630 0.712 0.201 -0.068 -0.060 -0.022 99  GLY AAA C   
774  O  O   . GLY A 99  ? 0.729 0.757 0.202 -0.129 -0.084 -0.062 99  GLY AAA O   
775  N  N   . ARG A 100 ? 0.584 0.722 0.221 -0.061 -0.081 -0.062 100 ARG AAA N   
776  C  CA  . ARG A 100 ? 0.574 0.753 0.253 -0.083 -0.091 -0.057 100 ARG AAA CA  
777  C  C   . ARG A 100 ? 0.548 0.728 0.246 -0.052 -0.087 -0.072 100 ARG AAA C   
778  O  O   . ARG A 100 ? 0.566 0.723 0.265 -0.056 -0.089 -0.094 100 ARG AAA O   
779  C  CB  . ARG A 100 ? 0.590 0.800 0.288 -0.044 -0.089 -0.040 100 ARG AAA CB  
780  C  CG  . ARG A 100 ? 0.637 0.883 0.388 -0.004 -0.136 0.007  100 ARG AAA CG  
781  C  CD  . ARG A 100 ? 0.645 0.958 0.508 0.050  -0.163 -0.022 100 ARG AAA CD  
782  N  NE  . ARG A 100 ? 0.769 0.975 0.572 0.062  -0.194 0.033  100 ARG AAA NE  
783  C  CZ  . ARG A 100 ? 0.839 1.034 0.594 0.057  -0.263 0.051  100 ARG AAA CZ  
784  N  NH1 . ARG A 100 ? 0.922 1.070 0.550 -0.001 -0.166 0.056  100 ARG AAA NH1 
785  N  NH2 . ARG A 100 ? 0.916 1.144 0.594 0.137  -0.291 0.043  100 ARG AAA NH2 
786  N  N   . PHE A 101 ? 0.555 0.662 0.242 -0.094 -0.087 -0.113 101 PHE AAA N   
787  C  CA  . PHE A 101 ? 0.555 0.612 0.206 -0.153 -0.028 -0.073 101 PHE AAA CA  
788  C  C   . PHE A 101 ? 0.612 0.585 0.215 -0.165 -0.055 -0.081 101 PHE AAA C   
789  O  O   . PHE A 101 ? 0.624 0.641 0.219 -0.114 -0.072 -0.036 101 PHE AAA O   
790  C  CB  . PHE A 101 ? 0.539 0.529 0.177 -0.140 -0.011 -0.054 101 PHE AAA CB  
791  C  CG  . PHE A 101 ? 0.541 0.535 0.156 -0.122 -0.020 -0.032 101 PHE AAA CG  
792  C  CD1 . PHE A 101 ? 0.556 0.539 0.152 -0.145 -0.002 -0.054 101 PHE AAA CD1 
793  C  CD2 . PHE A 101 ? 0.511 0.518 0.189 -0.125 -0.032 -0.058 101 PHE AAA CD2 
794  C  CE1 . PHE A 101 ? 0.584 0.533 0.135 -0.145 -0.012 -0.044 101 PHE AAA CE1 
795  C  CE2 . PHE A 101 ? 0.534 0.519 0.163 -0.112 -0.042 -0.030 101 PHE AAA CE2 
796  C  CZ  . PHE A 101 ? 0.580 0.522 0.137 -0.118 -0.051 -0.069 101 PHE AAA CZ  
797  N  N   . ALA A 102 ? 0.579 0.630 0.231 -0.195 -0.066 -0.071 102 ALA AAA N   
798  C  CA  . ALA A 102 ? 0.595 0.567 0.273 -0.230 -0.098 -0.060 102 ALA AAA CA  
799  C  C   . ALA A 102 ? 0.561 0.582 0.209 -0.199 -0.049 -0.028 102 ALA AAA C   
800  O  O   . ALA A 102 ? 0.628 0.543 0.208 -0.196 -0.021 -0.082 102 ALA AAA O   
801  C  CB  . ALA A 102 ? 0.604 0.614 0.285 -0.278 -0.059 -0.075 102 ALA AAA CB  
802  N  N   . GLY A 103 ? 0.627 0.531 0.191 -0.144 -0.036 -0.078 103 GLY AAA N   
803  C  CA  . GLY A 103 ? 0.622 0.466 0.177 -0.135 -0.033 -0.062 103 GLY AAA CA  
804  C  C   . GLY A 103 ? 0.573 0.476 0.164 -0.135 -0.038 -0.074 103 GLY AAA C   
805  O  O   . GLY A 103 ? 0.614 0.562 0.167 -0.137 -0.060 -0.066 103 GLY AAA O   
806  N  N   . ARG A 104 ? 0.542 0.494 0.162 -0.135 0.003  -0.091 104 ARG AAA N   
807  C  CA  . ARG A 104 ? 0.557 0.471 0.171 -0.127 0.000  -0.044 104 ARG AAA CA  
808  C  C   . ARG A 104 ? 0.591 0.460 0.120 -0.109 -0.006 -0.043 104 ARG AAA C   
809  O  O   . ARG A 104 ? 0.548 0.481 0.134 -0.089 -0.020 -0.073 104 ARG AAA O   
810  C  CB  . ARG A 104 ? 0.618 0.459 0.183 -0.113 -0.006 -0.080 104 ARG AAA CB  
811  C  CG  . ARG A 104 ? 0.618 0.455 0.185 -0.097 -0.007 -0.090 104 ARG AAA CG  
812  C  CD  . ARG A 104 ? 0.682 0.482 0.277 -0.057 0.004  -0.104 104 ARG AAA CD  
813  N  NE  . ARG A 104 ? 0.631 0.511 0.280 -0.060 -0.011 -0.126 104 ARG AAA NE  
814  C  CZ  . ARG A 104 ? 0.592 0.463 0.285 -0.075 0.037  -0.110 104 ARG AAA CZ  
815  N  NH1 . ARG A 104 ? 0.622 0.486 0.304 -0.080 0.058  -0.078 104 ARG AAA NH1 
816  N  NH2 . ARG A 104 ? 0.612 0.474 0.291 -0.095 0.054  -0.070 104 ARG AAA NH2 
817  N  N   . ASP A 105 ? 0.563 0.465 0.115 -0.097 0.007  -0.046 105 ASP AAA N   
818  C  CA  . ASP A 105 ? 0.534 0.456 0.145 -0.103 0.012  -0.023 105 ASP AAA CA  
819  C  C   . ASP A 105 ? 0.516 0.505 0.148 -0.097 0.014  -0.020 105 ASP AAA C   
820  O  O   . ASP A 105 ? 0.568 0.552 0.152 -0.088 -0.003 -0.049 105 ASP AAA O   
821  C  CB  . ASP A 105 ? 0.536 0.479 0.100 -0.093 -0.034 -0.049 105 ASP AAA CB  
822  C  CG  . ASP A 105 ? 0.531 0.470 0.100 -0.102 -0.019 -0.051 105 ASP AAA CG  
823  O  OD1 . ASP A 105 ? 0.531 0.494 0.111 -0.102 0.024  -0.046 105 ASP AAA OD1 
824  O  OD2 . ASP A 105 ? 0.585 0.474 0.121 -0.068 -0.010 -0.075 105 ASP AAA OD2 
825  N  N   . THR A 106 ? 0.545 0.496 0.134 -0.123 0.006  -0.070 106 THR AAA N   
826  C  CA  . THR A 106 ? 0.575 0.462 0.142 -0.108 0.031  -0.073 106 THR AAA CA  
827  C  C   . THR A 106 ? 0.569 0.487 0.128 -0.077 0.051  -0.037 106 THR AAA C   
828  O  O   . THR A 106 ? 0.598 0.483 0.136 -0.086 0.062  -0.039 106 THR AAA O   
829  C  CB  . THR A 106 ? 0.603 0.490 0.158 -0.095 -0.005 -0.071 106 THR AAA CB  
830  O  OG1 . THR A 106 ? 0.555 0.449 0.148 -0.063 0.021  -0.043 106 THR AAA OG1 
831  C  CG2 . THR A 106 ? 0.653 0.512 0.206 -0.068 0.046  -0.062 106 THR AAA CG2 
832  N  N   . TRP A 107 ? 0.584 0.481 0.119 -0.065 0.034  -0.040 107 TRP AAA N   
833  C  CA  . TRP A 107 ? 0.570 0.468 0.112 -0.085 -0.010 -0.032 107 TRP AAA CA  
834  C  C   . TRP A 107 ? 0.613 0.449 0.099 -0.116 -0.034 -0.020 107 TRP AAA C   
835  O  O   . TRP A 107 ? 0.602 0.484 0.125 -0.117 -0.036 -0.043 107 TRP AAA O   
836  C  CB  . TRP A 107 ? 0.568 0.449 0.110 -0.067 -0.010 -0.022 107 TRP AAA CB  
837  C  CG  . TRP A 107 ? 0.543 0.465 0.116 -0.048 0.007  -0.025 107 TRP AAA CG  
838  C  CD1 . TRP A 107 ? 0.526 0.436 0.152 -0.046 0.025  -0.022 107 TRP AAA CD1 
839  C  CD2 . TRP A 107 ? 0.582 0.484 0.134 -0.077 0.007  -0.040 107 TRP AAA CD2 
840  N  NE1 . TRP A 107 ? 0.559 0.499 0.146 -0.035 -0.013 -0.059 107 TRP AAA NE1 
841  C  CE2 . TRP A 107 ? 0.633 0.501 0.143 -0.015 0.000  -0.034 107 TRP AAA CE2 
842  C  CE3 . TRP A 107 ? 0.661 0.530 0.141 -0.076 0.039  -0.016 107 TRP AAA CE3 
843  C  CZ2 . TRP A 107 ? 0.661 0.605 0.184 -0.056 0.002  -0.085 107 TRP AAA CZ2 
844  C  CZ3 . TRP A 107 ? 0.709 0.570 0.182 -0.133 0.087  -0.022 107 TRP AAA CZ3 
845  C  CH2 . TRP A 107 ? 0.705 0.663 0.199 -0.117 0.066  -0.071 107 TRP AAA CH2 
846  N  N   . PRO A 108 ? 0.613 0.490 0.108 -0.113 -0.011 -0.003 108 PRO AAA N   
847  C  CA  . PRO A 108 ? 0.652 0.521 0.104 -0.102 -0.033 -0.007 108 PRO AAA CA  
848  C  C   . PRO A 108 ? 0.633 0.516 0.150 -0.126 -0.009 -0.004 108 PRO AAA C   
849  O  O   . PRO A 108 ? 0.655 0.588 0.149 -0.145 -0.048 -0.013 108 PRO AAA O   
850  C  CB  . PRO A 108 ? 0.657 0.552 0.187 -0.110 0.008  0.022  108 PRO AAA CB  
851  C  CG  . PRO A 108 ? 0.658 0.552 0.183 -0.105 -0.003 0.052  108 PRO AAA CG  
852  C  CD  . PRO A 108 ? 0.600 0.496 0.153 -0.113 -0.016 -0.022 108 PRO AAA CD  
853  N  N   . SER A 109 ? 0.629 0.487 0.184 -0.108 -0.062 0.006  109 SER AAA N   
854  C  CA  . SER A 109 ? 0.638 0.495 0.158 -0.089 -0.067 0.019  109 SER AAA CA  
855  C  C   . SER A 109 ? 0.581 0.482 0.167 -0.075 -0.082 0.008  109 SER AAA C   
856  O  O   . SER A 109 ? 0.603 0.508 0.216 -0.016 -0.100 0.015  109 SER AAA O   
857  C  CB  . SER A 109 ? 0.632 0.448 0.188 -0.098 -0.044 0.017  109 SER AAA CB  
858  O  OG  . SER A 109 ? 0.654 0.500 0.144 -0.030 -0.007 0.002  109 SER AAA OG  
859  N  N   . SER A 110 ? 0.590 0.488 0.117 -0.059 -0.067 -0.004 110 SER AAA N   
860  C  CA  . SER A 110 ? 0.566 0.483 0.124 -0.069 -0.081 -0.007 110 SER AAA CA  
861  C  C   . SER A 110 ? 0.587 0.476 0.136 -0.078 -0.091 -0.021 110 SER AAA C   
862  O  O   . SER A 110 ? 0.665 0.576 0.129 -0.107 -0.072 0.003  110 SER AAA O   
863  C  CB  . SER A 110 ? 0.539 0.446 0.127 -0.071 -0.056 -0.026 110 SER AAA CB  
864  O  OG  . SER A 110 ? 0.544 0.445 0.134 -0.070 -0.058 -0.035 110 SER AAA OG  
865  N  N   . TYR A 111 ? 0.614 0.582 0.132 -0.068 -0.078 -0.009 111 TYR AAA N   
866  C  CA  . TYR A 111 ? 0.602 0.586 0.149 -0.050 -0.075 -0.039 111 TYR AAA CA  
867  C  C   . TYR A 111 ? 0.611 0.623 0.182 -0.042 -0.121 -0.026 111 TYR AAA C   
868  O  O   . TYR A 111 ? 0.691 0.619 0.217 -0.080 -0.113 -0.044 111 TYR AAA O   
869  C  CB  . TYR A 111 ? 0.595 0.600 0.120 -0.061 -0.082 -0.016 111 TYR AAA CB  
870  C  CG  . TYR A 111 ? 0.625 0.589 0.116 -0.097 -0.043 0.027  111 TYR AAA CG  
871  C  CD1 . TYR A 111 ? 0.605 0.540 0.099 -0.070 -0.020 -0.010 111 TYR AAA CD1 
872  C  CD2 . TYR A 111 ? 0.623 0.589 0.123 -0.089 -0.072 -0.013 111 TYR AAA CD2 
873  C  CE1 . TYR A 111 ? 0.576 0.572 0.095 -0.057 -0.035 -0.010 111 TYR AAA CE1 
874  C  CE2 . TYR A 111 ? 0.604 0.588 0.140 -0.066 -0.003 -0.014 111 TYR AAA CE2 
875  C  CZ  . TYR A 111 ? 0.606 0.561 0.112 -0.059 -0.000 -0.045 111 TYR AAA CZ  
876  O  OH  . TYR A 111 ? 0.616 0.552 0.115 -0.062 -0.010 -0.065 111 TYR AAA OH  
877  N  N   . ASP A 112 ? 0.611 0.689 0.190 -0.011 -0.100 -0.048 112 ASP AAA N   
878  C  CA  . ASP A 112 ? 0.640 0.725 0.274 0.008  -0.163 -0.048 112 ASP AAA CA  
879  C  C   . ASP A 112 ? 0.665 0.733 0.289 0.012  -0.191 -0.026 112 ASP AAA C   
880  O  O   . ASP A 112 ? 0.766 0.733 0.354 0.045  -0.225 -0.034 112 ASP AAA O   
881  C  CB  . ASP A 112 ? 0.669 0.816 0.291 -0.024 -0.138 -0.049 112 ASP AAA CB  
882  C  CG  . ASP A 112 ? 0.662 0.852 0.295 -0.094 -0.110 -0.069 112 ASP AAA CG  
883  O  OD1 . ASP A 112 ? 0.717 0.745 0.401 -0.097 -0.112 -0.151 112 ASP AAA OD1 
884  O  OD2 . ASP A 112 ? 0.749 0.989 0.267 -0.007 -0.026 -0.110 112 ASP AAA OD2 
885  N  N   . TYR A 113 ? 0.667 0.723 0.252 0.008  -0.211 -0.009 113 TYR AAA N   
886  C  CA  . TYR A 113 ? 0.685 0.792 0.221 -0.017 -0.167 -0.011 113 TYR AAA CA  
887  C  C   . TYR A 113 ? 0.693 0.805 0.203 -0.028 -0.177 -0.024 113 TYR AAA C   
888  O  O   . TYR A 113 ? 0.708 0.721 0.300 -0.038 -0.168 -0.079 113 TYR AAA O   
889  C  CB  . TYR A 113 ? 0.682 0.834 0.245 -0.034 -0.129 -0.055 113 TYR AAA CB  
890  C  CG  . TYR A 113 ? 0.650 0.880 0.289 -0.029 -0.097 -0.046 113 TYR AAA CG  
891  C  CD1 . TYR A 113 ? 0.656 0.925 0.329 -0.002 -0.130 -0.075 113 TYR AAA CD1 
892  C  CD2 . TYR A 113 ? 0.676 0.872 0.287 -0.028 -0.065 -0.050 113 TYR AAA CD2 
893  C  CE1 . TYR A 113 ? 0.659 0.942 0.395 0.007  -0.073 -0.079 113 TYR AAA CE1 
894  C  CE2 . TYR A 113 ? 0.623 0.885 0.416 -0.015 -0.024 -0.064 113 TYR AAA CE2 
895  C  CZ  . TYR A 113 ? 0.628 0.921 0.418 0.011  -0.011 -0.069 113 TYR AAA CZ  
896  O  OH  . TYR A 113 ? 0.694 0.981 0.470 0.038  0.036  -0.094 113 TYR AAA OH  
897  N  N   . TRP A 114 ? 0.766 0.798 0.215 -0.045 -0.170 0.003  114 TRP AAA N   
898  C  CA  . TRP A 114 ? 0.771 0.857 0.181 -0.058 -0.184 0.013  114 TRP AAA CA  
899  C  C   . TRP A 114 ? 0.869 0.957 0.203 -0.106 -0.207 -0.017 114 TRP AAA C   
900  O  O   . TRP A 114 ? 0.865 0.989 0.205 -0.102 -0.175 0.070  114 TRP AAA O   
901  C  CB  . TRP A 114 ? 0.829 0.814 0.213 -0.050 -0.134 -0.020 114 TRP AAA CB  
902  C  CG  . TRP A 114 ? 0.788 0.760 0.179 -0.024 -0.099 0.074  114 TRP AAA CG  
903  C  CD1 . TRP A 114 ? 0.744 0.644 0.288 -0.025 -0.076 -0.011 114 TRP AAA CD1 
904  C  CD2 . TRP A 114 ? 0.767 0.744 0.143 -0.037 -0.077 -0.014 114 TRP AAA CD2 
905  N  NE1 . TRP A 114 ? 0.751 0.667 0.170 -0.075 -0.045 -0.012 114 TRP AAA NE1 
906  C  CE2 . TRP A 114 ? 0.729 0.649 0.151 -0.071 -0.076 -0.014 114 TRP AAA CE2 
907  C  CE3 . TRP A 114 ? 0.778 0.780 0.208 -0.004 -0.061 -0.026 114 TRP AAA CE3 
908  C  CZ2 . TRP A 114 ? 0.722 0.621 0.156 -0.074 -0.059 0.004  114 TRP AAA CZ2 
909  C  CZ3 . TRP A 114 ? 0.763 0.724 0.179 -0.027 -0.075 -0.118 114 TRP AAA CZ3 
910  C  CH2 . TRP A 114 ? 0.752 0.656 0.141 -0.069 -0.098 -0.059 114 TRP AAA CH2 
911  N  N   . GLY A 115 ? 0.944 0.965 0.161 -0.086 -0.140 0.038  115 GLY AAA N   
912  C  CA  . GLY A 115 ? 0.939 1.088 0.175 -0.089 -0.213 0.071  115 GLY AAA CA  
913  C  C   . GLY A 115 ? 1.045 1.103 0.200 -0.089 -0.252 0.144  115 GLY AAA C   
914  O  O   . GLY A 115 ? 0.808 1.312 0.203 -0.078 -0.114 0.097  115 GLY AAA O   
915  N  N   . GLN A 116 ? 1.004 1.204 0.243 -0.054 -0.314 0.047  116 GLN AAA N   
916  C  CA  . GLN A 116 ? 1.114 1.213 0.214 -0.036 -0.240 0.020  116 GLN AAA CA  
917  C  C   . GLN A 116 ? 0.998 1.189 0.279 -0.130 -0.182 0.047  116 GLN AAA C   
918  O  O   . GLN A 116 ? 1.148 1.122 0.570 -0.025 -0.009 -0.038 116 GLN AAA O   
919  C  CB  . GLN A 116 ? 1.151 1.272 0.415 0.045  -0.349 0.188  116 GLN AAA CB  
920  C  CG  . GLN A 116 ? 1.269 1.337 0.677 0.080  -0.214 0.118  116 GLN AAA CG  
921  C  CD  . GLN A 116 ? 1.444 1.394 0.776 0.196  -0.261 0.129  116 GLN AAA CD  
922  O  OE1 . GLN A 116 ? 1.666 1.572 0.760 0.112  -0.384 0.089  116 GLN AAA OE1 
923  N  NE2 . GLN A 116 ? 1.564 1.449 1.026 0.214  -0.061 0.062  116 GLN AAA NE2 
924  N  N   . GLY A 117 ? 1.022 1.120 0.280 -0.132 -0.155 -0.017 117 GLY AAA N   
925  C  CA  . GLY A 117 ? 1.118 1.126 0.118 -0.099 -0.040 0.036  117 GLY AAA CA  
926  C  C   . GLY A 117 ? 1.201 1.172 0.160 -0.118 -0.013 -0.060 117 GLY AAA C   
927  O  O   . GLY A 117 ? 1.252 1.270 0.307 -0.106 -0.100 0.103  117 GLY AAA O   
928  N  N   . THR A 118 ? 1.167 1.212 0.190 -0.088 0.045  -0.008 118 THR AAA N   
929  C  CA  . THR A 118 ? 1.168 1.209 0.173 -0.150 -0.023 -0.030 118 THR AAA CA  
930  C  C   . THR A 118 ? 1.181 1.215 0.203 -0.167 0.043  0.080  118 THR AAA C   
931  O  O   . THR A 118 ? 1.148 1.233 0.191 -0.177 0.032  0.039  118 THR AAA O   
932  C  CB  . THR A 118 ? 1.184 1.254 0.184 -0.180 -0.107 -0.043 118 THR AAA CB  
933  O  OG1 . THR A 118 ? 1.336 1.337 0.170 -0.225 -0.136 -0.054 118 THR AAA OG1 
934  C  CG2 . THR A 118 ? 1.124 1.151 0.287 -0.195 -0.118 -0.078 118 THR AAA CG2 
935  N  N   . GLN A 119 ? 1.206 1.215 0.143 -0.145 -0.028 0.093  119 GLN AAA N   
936  C  CA  . GLN A 119 ? 1.234 1.120 0.184 -0.166 0.036  0.053  119 GLN AAA CA  
937  C  C   . GLN A 119 ? 1.190 1.155 0.163 -0.168 0.044  -0.016 119 GLN AAA C   
938  O  O   . GLN A 119 ? 1.143 1.296 0.214 -0.168 0.011  -0.061 119 GLN AAA O   
939  C  CB  . GLN A 119 ? 1.350 1.183 0.221 -0.171 0.099  0.087  119 GLN AAA CB  
940  C  CG  . GLN A 119 ? 1.361 1.194 0.317 -0.165 0.136  0.035  119 GLN AAA CG  
941  C  CD  . GLN A 119 ? 1.346 1.102 0.273 -0.133 0.160  0.046  119 GLN AAA CD  
942  O  OE1 . GLN A 119 ? 1.405 1.103 0.355 -0.121 0.134  0.024  119 GLN AAA OE1 
943  N  NE2 . GLN A 119 ? 1.320 1.083 0.353 -0.140 0.174  0.043  119 GLN AAA NE2 
944  N  N   . VAL A 120 ? 1.199 1.115 0.112 -0.157 0.064  -0.056 120 VAL AAA N   
945  C  CA  . VAL A 120 ? 1.212 1.135 0.130 -0.160 0.094  -0.106 120 VAL AAA CA  
946  C  C   . VAL A 120 ? 1.218 1.139 0.204 -0.169 0.107  -0.100 120 VAL AAA C   
947  O  O   . VAL A 120 ? 1.206 1.127 0.193 -0.186 0.086  -0.049 120 VAL AAA O   
948  C  CB  . VAL A 120 ? 1.179 1.052 0.186 -0.143 0.069  -0.114 120 VAL AAA CB  
949  C  CG1 . VAL A 120 ? 1.185 1.092 0.175 -0.130 0.090  -0.145 120 VAL AAA CG1 
950  C  CG2 . VAL A 120 ? 1.163 1.051 0.134 -0.140 0.045  -0.159 120 VAL AAA CG2 
951  N  N   . THR A 121 ? 1.278 1.213 0.164 -0.189 0.109  -0.060 121 THR AAA N   
952  C  CA  . THR A 121 ? 1.303 1.231 0.239 -0.199 0.150  -0.051 121 THR AAA CA  
953  C  C   . THR A 121 ? 1.327 1.267 0.216 -0.203 0.201  -0.084 121 THR AAA C   
954  O  O   . THR A 121 ? 1.393 1.309 0.238 -0.208 0.185  -0.121 121 THR AAA O   
955  C  CB  . THR A 121 ? 1.363 1.270 0.246 -0.219 0.149  -0.028 121 THR AAA CB  
956  O  OG1 . THR A 121 ? 1.346 1.213 0.232 -0.208 0.072  0.013  121 THR AAA OG1 
957  C  CG2 . THR A 121 ? 1.399 1.311 0.255 -0.226 0.214  -0.027 121 THR AAA CG2 
958  N  N   . VAL A 122 ? 1.285 1.260 0.259 -0.195 0.246  -0.085 122 VAL AAA N   
959  C  CA  . VAL A 122 ? 1.338 1.311 0.308 -0.168 0.256  -0.148 122 VAL AAA CA  
960  C  C   . VAL A 122 ? 1.364 1.381 0.343 -0.176 0.295  -0.145 122 VAL AAA C   
961  O  O   . VAL A 122 ? 1.312 1.365 0.439 -0.180 0.268  -0.115 122 VAL AAA O   
962  C  CB  . VAL A 122 ? 1.259 1.260 0.320 -0.136 0.260  -0.167 122 VAL AAA CB  
963  C  CG1 . VAL A 122 ? 1.317 1.295 0.393 -0.120 0.289  -0.219 122 VAL AAA CG1 
964  C  CG2 . VAL A 122 ? 1.243 1.207 0.257 -0.147 0.221  -0.163 122 VAL AAA CG2 
965  N  N   . SER A 123 ? 1.486 1.470 0.346 -0.169 0.292  -0.173 123 SER AAA N   
966  C  CA  . SER A 123 ? 1.525 1.543 0.371 -0.179 0.339  -0.187 123 SER AAA CA  
967  C  C   . SER A 123 ? 1.594 1.637 0.415 -0.166 0.381  -0.241 123 SER AAA C   
968  O  O   . SER A 123 ? 1.575 1.649 0.432 -0.150 0.391  -0.277 123 SER AAA O   
969  C  CB  . SER A 123 ? 1.576 1.560 0.411 -0.190 0.273  -0.138 123 SER AAA CB  
970  O  OG  . SER A 123 ? 1.709 1.583 0.469 -0.167 0.188  -0.085 123 SER AAA OG  
971  N  N   . SER A 124 ? 1.611 1.710 0.525 -0.186 0.419  -0.216 124 SER AAA N   
972  C  CA  . SER A 124 ? 1.721 1.802 0.531 -0.195 0.445  -0.245 124 SER AAA CA  
973  C  C   . SER A 124 ? 1.792 1.866 0.494 -0.241 0.463  -0.228 124 SER AAA C   
974  O  O   . SER A 124 ? 1.752 1.821 0.548 -0.268 0.430  -0.149 124 SER AAA O   
975  C  CB  . SER A 124 ? 1.736 1.859 0.671 -0.164 0.458  -0.272 124 SER AAA CB  
976  O  OG  . SER A 124 ? 1.711 1.868 0.658 -0.151 0.464  -0.266 124 SER AAA OG  
977  N  N   . ASN B 5   ? 0.948 0.474 0.923 -0.000 0.019  0.112  334 ASN EEE N   
978  C  CA  . ASN B 5   ? 0.921 0.555 0.747 0.075  0.091  0.094  334 ASN EEE CA  
979  C  C   . ASN B 5   ? 0.727 0.509 0.659 0.026  0.114  0.042  334 ASN EEE C   
980  O  O   . ASN B 5   ? 0.710 0.481 0.502 0.000  0.090  0.032  334 ASN EEE O   
981  C  CB  . ASN B 5   ? 1.015 0.762 0.682 0.005  0.086  0.148  334 ASN EEE CB  
982  C  CG  . ASN B 5   ? 1.045 0.844 0.739 -0.113 0.153  0.085  334 ASN EEE CG  
983  O  OD1 . ASN B 5   ? 1.087 0.985 0.659 -0.225 -0.084 0.171  334 ASN EEE OD1 
984  N  ND2 . ASN B 5   ? 1.290 1.032 0.657 -0.081 0.210  0.034  334 ASN EEE ND2 
985  N  N   . LEU B 6   ? 0.650 0.434 0.678 0.086  0.094  0.032  335 LEU EEE N   
986  C  CA  . LEU B 6   ? 0.641 0.425 0.591 0.025  0.096  -0.011 335 LEU EEE CA  
987  C  C   . LEU B 6   ? 0.597 0.422 0.474 0.043  0.063  0.023  335 LEU EEE C   
988  O  O   . LEU B 6   ? 0.632 0.479 0.432 0.034  0.047  0.110  335 LEU EEE O   
989  C  CB  . LEU B 6   ? 0.624 0.518 0.717 0.022  0.129  -0.059 335 LEU EEE CB  
990  C  CG  . LEU B 6   ? 0.712 0.599 0.836 0.015  0.145  -0.157 335 LEU EEE CG  
991  C  CD1 . LEU B 6   ? 0.765 0.758 0.863 0.018  0.198  -0.123 335 LEU EEE CD1 
992  C  CD2 . LEU B 6   ? 0.769 0.692 0.838 -0.013 0.112  -0.170 335 LEU EEE CD2 
993  N  N   . CYS B 7   ? 0.595 0.441 0.445 0.088  0.102  -0.008 336 CYS EEE N   
994  C  CA  . CYS B 7   ? 0.571 0.427 0.403 -0.003 0.081  -0.012 336 CYS EEE CA  
995  C  C   . CYS B 7   ? 0.548 0.448 0.360 0.009  0.090  -0.006 336 CYS EEE C   
996  O  O   . CYS B 7   ? 0.516 0.443 0.390 0.016  0.099  -0.003 336 CYS EEE O   
997  C  CB  . CYS B 7   ? 0.530 0.471 0.428 0.020  0.110  -0.024 336 CYS EEE CB  
998  S  SG  . CYS B 7   ? 0.557 0.467 0.374 -0.017 0.100  -0.035 336 CYS EEE SG  
999  N  N   . PRO B 8   ? 0.579 0.458 0.331 -0.033 0.074  0.033  337 PRO EEE N   
1000 C  CA  . PRO B 8   ? 0.576 0.466 0.356 -0.032 0.029  0.068  337 PRO EEE CA  
1001 C  C   . PRO B 8   ? 0.584 0.447 0.319 -0.034 -0.007 0.043  337 PRO EEE C   
1002 O  O   . PRO B 8   ? 0.570 0.427 0.275 -0.006 0.024  0.050  337 PRO EEE O   
1003 C  CB  . PRO B 8   ? 0.589 0.530 0.363 -0.043 0.014  0.057  337 PRO EEE CB  
1004 C  CG  . PRO B 8   ? 0.633 0.549 0.326 -0.058 0.065  0.045  337 PRO EEE CG  
1005 C  CD  . PRO B 8   ? 0.612 0.532 0.337 -0.054 0.090  0.034  337 PRO EEE CD  
1006 N  N   . PHE B 9   ? 0.545 0.418 0.316 -0.021 0.009  0.015  338 PHE EEE N   
1007 C  CA  . PHE B 9   ? 0.533 0.437 0.274 -0.022 -0.014 0.014  338 PHE EEE CA  
1008 C  C   . PHE B 9   ? 0.499 0.413 0.255 0.019  -0.028 -0.002 338 PHE EEE C   
1009 O  O   . PHE B 9   ? 0.537 0.426 0.299 -0.009 0.050  0.038  338 PHE EEE O   
1010 C  CB  . PHE B 9   ? 0.537 0.445 0.293 -0.046 -0.036 0.020  338 PHE EEE CB  
1011 C  CG  . PHE B 9   ? 0.529 0.441 0.340 -0.022 -0.032 0.027  338 PHE EEE CG  
1012 C  CD1 . PHE B 9   ? 0.518 0.469 0.270 -0.035 -0.002 0.023  338 PHE EEE CD1 
1013 C  CD2 . PHE B 9   ? 0.569 0.435 0.396 -0.045 0.016  0.020  338 PHE EEE CD2 
1014 C  CE1 . PHE B 9   ? 0.522 0.503 0.404 -0.056 -0.017 -0.003 338 PHE EEE CE1 
1015 C  CE2 . PHE B 9   ? 0.561 0.433 0.441 -0.017 0.005  0.046  338 PHE EEE CE2 
1016 C  CZ  . PHE B 9   ? 0.597 0.428 0.401 -0.014 0.005  0.019  338 PHE EEE CZ  
1017 N  N   . GLY B 10  ? 0.510 0.399 0.330 0.025  0.024  0.001  339 GLY EEE N   
1018 C  CA  . GLY B 10  ? 0.504 0.434 0.377 0.025  0.053  -0.009 339 GLY EEE CA  
1019 C  C   . GLY B 10  ? 0.503 0.456 0.317 0.026  0.045  0.005  339 GLY EEE C   
1020 O  O   . GLY B 10  ? 0.499 0.437 0.408 0.035  0.021  0.015  339 GLY EEE O   
1021 N  N   . GLU B 11  ? 0.507 0.443 0.343 -0.004 0.064  0.048  340 GLU EEE N   
1022 C  CA  . GLU B 11  ? 0.512 0.456 0.339 -0.012 0.059  0.043  340 GLU EEE CA  
1023 C  C   . GLU B 11  ? 0.463 0.463 0.224 -0.023 0.032  0.022  340 GLU EEE C   
1024 O  O   . GLU B 11  ? 0.528 0.453 0.267 -0.003 -0.068 0.034  340 GLU EEE O   
1025 C  CB  . GLU B 11  ? 0.570 0.492 0.330 0.001  0.061  0.071  340 GLU EEE CB  
1026 C  CG  . GLU B 11  ? 0.564 0.563 0.439 0.013  0.044  0.138  340 GLU EEE CG  
1027 C  CD  . GLU B 11  ? 0.640 0.675 0.419 0.061  0.043  0.189  340 GLU EEE CD  
1028 O  OE1 . GLU B 11  ? 0.701 0.872 0.546 0.059  -0.024 0.335  340 GLU EEE OE1 
1029 O  OE2 . GLU B 11  ? 0.642 0.741 0.364 0.060  0.059  0.161  340 GLU EEE OE2 
1030 N  N   . VAL B 12  ? 0.451 0.444 0.236 0.008  0.033  0.023  341 VAL EEE N   
1031 C  CA  . VAL B 12  ? 0.409 0.451 0.231 0.016  0.062  0.023  341 VAL EEE CA  
1032 C  C   . VAL B 12  ? 0.411 0.412 0.202 0.018  0.031  0.013  341 VAL EEE C   
1033 O  O   . VAL B 12  ? 0.433 0.417 0.234 0.011  0.051  0.010  341 VAL EEE O   
1034 C  CB  . VAL B 12  ? 0.383 0.469 0.276 0.023  0.110  0.032  341 VAL EEE CB  
1035 C  CG1 . VAL B 12  ? 0.402 0.523 0.294 0.070  0.056  0.027  341 VAL EEE CG1 
1036 C  CG2 . VAL B 12  ? 0.423 0.557 0.283 0.002  0.124  0.041  341 VAL EEE CG2 
1037 N  N   . PHE B 13  ? 0.470 0.383 0.212 0.035  0.041  0.017  342 PHE EEE N   
1038 C  CA  . PHE B 13  ? 0.474 0.378 0.240 -0.004 0.076  0.006  342 PHE EEE CA  
1039 C  C   . PHE B 13  ? 0.473 0.375 0.288 0.007  0.047  0.022  342 PHE EEE C   
1040 O  O   . PHE B 13  ? 0.491 0.417 0.225 -0.017 0.045  0.008  342 PHE EEE O   
1041 C  CB  . PHE B 13  ? 0.511 0.382 0.234 0.001  0.094  -0.004 342 PHE EEE CB  
1042 C  CG  . PHE B 13  ? 0.508 0.417 0.230 -0.031 0.097  -0.011 342 PHE EEE CG  
1043 C  CD1 . PHE B 13  ? 0.540 0.363 0.236 -0.031 0.075  -0.036 342 PHE EEE CD1 
1044 C  CD2 . PHE B 13  ? 0.497 0.504 0.278 -0.088 0.008  0.082  342 PHE EEE CD2 
1045 C  CE1 . PHE B 13  ? 0.561 0.414 0.253 -0.057 0.043  -0.046 342 PHE EEE CE1 
1046 C  CE2 . PHE B 13  ? 0.486 0.473 0.371 -0.060 0.018  0.046  342 PHE EEE CE2 
1047 C  CZ  . PHE B 13  ? 0.506 0.419 0.259 -0.044 0.025  -0.036 342 PHE EEE CZ  
1048 N  N   . ASN B 14  ? 0.468 0.441 0.255 0.033  0.026  -0.022 343 ASN EEE N   
1049 C  CA  . ASN B 14  ? 0.467 0.440 0.332 0.009  0.035  -0.028 343 ASN EEE CA  
1050 C  C   . ASN B 14  ? 0.425 0.416 0.308 0.068  0.022  -0.013 343 ASN EEE C   
1051 O  O   . ASN B 14  ? 0.406 0.468 0.375 0.035  0.047  -0.011 343 ASN EEE O   
1052 C  CB  . ASN B 14  ? 0.512 0.450 0.393 0.027  0.045  -0.067 343 ASN EEE CB  
1053 C  CG  . ASN B 14  ? 0.622 0.510 0.356 0.045  0.082  -0.043 343 ASN EEE CG  
1054 O  OD1 . ASN B 14  ? 0.572 0.500 0.380 0.040  0.103  -0.031 343 ASN EEE OD1 
1055 N  ND2 . ASN B 14  ? 0.638 0.491 0.568 0.053  0.053  0.029  343 ASN EEE ND2 
1056 N  N   . ALA B 15  ? 0.427 0.429 0.269 0.075  0.013  -0.005 344 ALA EEE N   
1057 C  CA  . ALA B 15  ? 0.447 0.432 0.252 0.061  -0.016 0.030  344 ALA EEE CA  
1058 C  C   . ALA B 15  ? 0.413 0.438 0.276 0.058  -0.033 0.008  344 ALA EEE C   
1059 O  O   . ALA B 15  ? 0.434 0.419 0.291 0.039  -0.009 0.027  344 ALA EEE O   
1060 C  CB  . ALA B 15  ? 0.464 0.407 0.234 0.049  -0.005 0.005  344 ALA EEE CB  
1061 N  N   . THR B 16  ? 0.398 0.472 0.307 0.085  -0.048 0.012  345 THR EEE N   
1062 C  CA  A THR B 16  ? 0.442 0.493 0.375 0.051  -0.026 0.010  345 THR EEE CA  
1063 C  CA  B THR B 16  ? 0.413 0.499 0.358 0.058  -0.045 0.008  345 THR EEE CA  
1064 C  C   . THR B 16  ? 0.413 0.483 0.343 0.043  -0.009 -0.006 345 THR EEE C   
1065 O  O   . THR B 16  ? 0.427 0.474 0.349 0.039  -0.007 -0.005 345 THR EEE O   
1066 C  CB  A THR B 16  ? 0.490 0.591 0.431 0.068  -0.075 0.005  345 THR EEE CB  
1067 C  CB  B THR B 16  ? 0.407 0.486 0.416 0.065  -0.072 0.022  345 THR EEE CB  
1068 O  OG1 A THR B 16  ? 0.705 0.731 0.529 0.065  -0.022 -0.112 345 THR EEE OG1 
1069 O  OG1 B THR B 16  ? 0.436 0.507 0.435 0.066  -0.104 0.067  345 THR EEE OG1 
1070 C  CG2 A THR B 16  ? 0.510 0.590 0.439 0.044  -0.089 0.039  345 THR EEE CG2 
1071 C  CG2 B THR B 16  ? 0.377 0.467 0.473 0.078  -0.087 0.018  345 THR EEE CG2 
1072 N  N   . ARG B 17  ? 0.436 0.484 0.325 0.039  -0.035 -0.057 346 ARG EEE N   
1073 C  CA  . ARG B 17  ? 0.481 0.453 0.296 0.000  -0.007 -0.061 346 ARG EEE CA  
1074 C  C   . ARG B 17  ? 0.480 0.436 0.300 0.007  -0.020 -0.099 346 ARG EEE C   
1075 O  O   . ARG B 17  ? 0.461 0.487 0.259 0.041  -0.025 -0.052 346 ARG EEE O   
1076 C  CB  . ARG B 17  ? 0.619 0.540 0.384 -0.049 -0.041 -0.136 346 ARG EEE CB  
1077 C  CG  . ARG B 17  ? 0.779 0.580 0.470 -0.117 0.050  -0.098 346 ARG EEE CG  
1078 C  CD  . ARG B 17  ? 0.718 0.758 0.669 -0.187 -0.120 -0.151 346 ARG EEE CD  
1079 N  NE  . ARG B 17  ? 0.832 0.888 0.577 -0.074 -0.124 -0.237 346 ARG EEE NE  
1080 C  CZ  . ARG B 17  ? 0.765 1.166 0.704 -0.011 0.078  -0.173 346 ARG EEE CZ  
1081 N  NH1 . ARG B 17  ? 0.659 1.053 0.798 -0.298 0.086  -0.354 346 ARG EEE NH1 
1082 N  NH2 . ARG B 17  ? 0.919 1.202 0.875 0.156  0.036  -0.112 346 ARG EEE NH2 
1083 N  N   . PHE B 18  ? 0.382 0.361 0.236 0.021  -0.006 -0.032 347 PHE EEE N   
1084 C  CA  . PHE B 18  ? 0.375 0.327 0.152 0.020  -0.031 0.007  347 PHE EEE CA  
1085 C  C   . PHE B 18  ? 0.339 0.352 0.132 -0.009 -0.020 -0.019 347 PHE EEE C   
1086 O  O   . PHE B 18  ? 0.360 0.354 0.128 -0.023 0.007  -0.020 347 PHE EEE O   
1087 C  CB  . PHE B 18  ? 0.411 0.388 0.131 -0.020 -0.007 -0.033 347 PHE EEE CB  
1088 C  CG  . PHE B 18  ? 0.333 0.341 0.193 -0.031 0.018  0.013  347 PHE EEE CG  
1089 C  CD1 . PHE B 18  ? 0.394 0.345 0.187 -0.002 -0.003 -0.015 347 PHE EEE CD1 
1090 C  CD2 . PHE B 18  ? 0.373 0.364 0.101 -0.027 0.022  -0.011 347 PHE EEE CD2 
1091 C  CE1 . PHE B 18  ? 0.435 0.347 0.128 -0.003 0.003  -0.008 347 PHE EEE CE1 
1092 C  CE2 . PHE B 18  ? 0.380 0.372 0.148 -0.008 0.033  -0.039 347 PHE EEE CE2 
1093 C  CZ  . PHE B 18  ? 0.387 0.376 0.136 0.006  0.048  -0.049 347 PHE EEE CZ  
1094 N  N   . ALA B 19  ? 0.341 0.333 0.129 -0.011 -0.007 -0.007 348 ALA EEE N   
1095 C  CA  . ALA B 19  ? 0.358 0.347 0.063 0.001  0.002  0.005  348 ALA EEE CA  
1096 C  C   . ALA B 19  ? 0.353 0.321 0.080 0.001  -0.003 -0.003 348 ALA EEE C   
1097 O  O   . ALA B 19  ? 0.374 0.348 0.090 -0.008 0.009  -0.043 348 ALA EEE O   
1098 C  CB  . ALA B 19  ? 0.359 0.372 0.100 -0.015 0.008  -0.010 348 ALA EEE CB  
1099 N  N   . SER B 20  ? 0.363 0.312 0.105 -0.019 0.000  0.004  349 SER EEE N   
1100 C  CA  . SER B 20  ? 0.337 0.321 0.084 0.007  0.011  -0.015 349 SER EEE CA  
1101 C  C   . SER B 20  ? 0.348 0.324 0.042 -0.006 -0.012 -0.008 349 SER EEE C   
1102 O  O   . SER B 20  ? 0.342 0.341 0.075 -0.019 -0.005 0.009  349 SER EEE O   
1103 C  CB  . SER B 20  ? 0.327 0.314 0.082 0.013  -0.002 -0.008 349 SER EEE CB  
1104 O  OG  . SER B 20  ? 0.328 0.328 0.105 -0.012 -0.028 0.011  349 SER EEE OG  
1105 N  N   . VAL B 21  ? 0.351 0.327 0.059 -0.014 -0.018 0.016  350 VAL EEE N   
1106 C  CA  . VAL B 21  ? 0.340 0.336 0.074 0.002  0.003  0.010  350 VAL EEE CA  
1107 C  C   . VAL B 21  ? 0.343 0.305 0.042 0.002  -0.005 0.035  350 VAL EEE C   
1108 O  O   . VAL B 21  ? 0.357 0.356 0.027 -0.019 0.005  0.003  350 VAL EEE O   
1109 C  CB  . VAL B 21  ? 0.354 0.335 0.072 0.002  -0.006 0.006  350 VAL EEE CB  
1110 C  CG1 . VAL B 21  ? 0.358 0.346 0.079 -0.052 -0.027 -0.010 350 VAL EEE CG1 
1111 C  CG2 . VAL B 21  ? 0.377 0.360 0.030 -0.003 -0.003 -0.063 350 VAL EEE CG2 
1112 N  N   . TYR B 22  ? 0.317 0.319 0.078 -0.007 -0.003 0.019  351 TYR EEE N   
1113 C  CA  . TYR B 22  ? 0.356 0.313 0.074 -0.006 0.004  0.009  351 TYR EEE CA  
1114 C  C   . TYR B 22  ? 0.314 0.287 0.080 -0.033 0.009  0.002  351 TYR EEE C   
1115 O  O   . TYR B 22  ? 0.312 0.370 0.073 -0.035 0.006  0.028  351 TYR EEE O   
1116 C  CB  . TYR B 22  ? 0.336 0.329 0.069 -0.028 -0.000 0.011  351 TYR EEE CB  
1117 C  CG  . TYR B 22  ? 0.316 0.291 0.064 -0.022 0.004  0.041  351 TYR EEE CG  
1118 C  CD1 . TYR B 22  ? 0.330 0.350 0.080 -0.008 0.012  -0.019 351 TYR EEE CD1 
1119 C  CD2 . TYR B 22  ? 0.340 0.364 0.057 -0.032 -0.009 0.028  351 TYR EEE CD2 
1120 C  CE1 . TYR B 22  ? 0.330 0.349 0.098 -0.031 0.001  -0.037 351 TYR EEE CE1 
1121 C  CE2 . TYR B 22  ? 0.356 0.332 0.063 -0.047 -0.023 0.023  351 TYR EEE CE2 
1122 C  CZ  . TYR B 22  ? 0.351 0.357 0.072 -0.062 -0.025 -0.021 351 TYR EEE CZ  
1123 O  OH  . TYR B 22  ? 0.395 0.374 0.083 -0.044 -0.053 0.014  351 TYR EEE OH  
1124 N  N   . ALA B 23  ? 0.316 0.326 0.067 -0.022 0.029  0.014  352 ALA EEE N   
1125 C  CA  . ALA B 23  ? 0.336 0.314 0.090 -0.022 0.013  0.027  352 ALA EEE CA  
1126 C  C   . ALA B 23  ? 0.309 0.336 0.072 -0.017 -0.006 -0.016 352 ALA EEE C   
1127 O  O   . ALA B 23  ? 0.367 0.336 0.085 -0.001 -0.033 -0.016 352 ALA EEE O   
1128 C  CB  . ALA B 23  ? 0.373 0.340 0.069 -0.034 -0.002 -0.009 352 ALA EEE CB  
1129 N  N   . TRP B 24  ? 0.340 0.319 0.086 -0.032 -0.035 0.014  353 TRP EEE N   
1130 C  CA  . TRP B 24  ? 0.358 0.321 0.089 -0.006 -0.007 0.012  353 TRP EEE CA  
1131 C  C   . TRP B 24  ? 0.325 0.334 0.057 -0.010 -0.010 0.001  353 TRP EEE C   
1132 O  O   . TRP B 24  ? 0.365 0.360 0.067 -0.020 0.019  0.015  353 TRP EEE O   
1133 C  CB  . TRP B 24  ? 0.364 0.334 0.069 -0.023 0.001  -0.011 353 TRP EEE CB  
1134 C  CG  . TRP B 24  ? 0.344 0.345 0.052 -0.033 -0.027 -0.002 353 TRP EEE CG  
1135 C  CD1 . TRP B 24  ? 0.340 0.347 0.079 -0.034 -0.018 -0.004 353 TRP EEE CD1 
1136 C  CD2 . TRP B 24  ? 0.339 0.347 0.100 -0.045 -0.010 -0.035 353 TRP EEE CD2 
1137 N  NE1 . TRP B 24  ? 0.346 0.365 0.094 -0.032 -0.017 -0.017 353 TRP EEE NE1 
1138 C  CE2 . TRP B 24  ? 0.338 0.361 0.070 -0.045 -0.023 -0.031 353 TRP EEE CE2 
1139 C  CE3 . TRP B 24  ? 0.371 0.363 0.083 -0.024 0.005  -0.002 353 TRP EEE CE3 
1140 C  CZ2 . TRP B 24  ? 0.360 0.378 0.075 -0.034 0.019  -0.016 353 TRP EEE CZ2 
1141 C  CZ3 . TRP B 24  ? 0.354 0.391 0.046 -0.023 0.004  -0.043 353 TRP EEE CZ3 
1142 C  CH2 . TRP B 24  ? 0.366 0.376 0.087 -0.022 0.033  -0.010 353 TRP EEE CH2 
1143 N  N   . ASN B 25  ? 0.353 0.320 0.063 -0.016 0.007  0.004  354 ASN EEE N   
1144 C  CA  . ASN B 25  ? 0.384 0.306 0.099 -0.011 -0.001 0.009  354 ASN EEE CA  
1145 C  C   . ASN B 25  ? 0.380 0.343 0.116 -0.044 -0.019 0.057  354 ASN EEE C   
1146 O  O   . ASN B 25  ? 0.405 0.336 0.112 -0.047 -0.004 0.005  354 ASN EEE O   
1147 C  CB  . ASN B 25  ? 0.370 0.347 0.196 -0.014 0.003  0.006  354 ASN EEE CB  
1148 C  CG  . ASN B 25  ? 0.407 0.345 0.176 -0.012 -0.025 0.015  354 ASN EEE CG  
1149 O  OD1 . ASN B 25  ? 0.456 0.393 0.125 -0.039 -0.038 0.010  354 ASN EEE OD1 
1150 N  ND2 . ASN B 25  ? 0.395 0.382 0.135 -0.023 -0.066 0.016  354 ASN EEE ND2 
1151 N  N   . ARG B 26  ? 0.374 0.365 0.094 -0.038 0.040  0.015  355 ARG EEE N   
1152 C  CA  . ARG B 26  ? 0.375 0.355 0.080 -0.020 -0.019 0.012  355 ARG EEE CA  
1153 C  C   . ARG B 26  ? 0.448 0.310 0.155 -0.005 0.006  0.003  355 ARG EEE C   
1154 O  O   . ARG B 26  ? 0.507 0.384 0.174 -0.020 -0.030 -0.037 355 ARG EEE O   
1155 C  CB  . ARG B 26  ? 0.400 0.375 0.128 -0.017 0.030  0.023  355 ARG EEE CB  
1156 C  CG  . ARG B 26  ? 0.425 0.369 0.079 -0.017 -0.003 -0.007 355 ARG EEE CG  
1157 C  CD  . ARG B 26  ? 0.430 0.373 0.131 -0.013 0.005  -0.003 355 ARG EEE CD  
1158 N  NE  . ARG B 26  ? 0.406 0.390 0.093 -0.012 0.044  -0.013 355 ARG EEE NE  
1159 C  CZ  . ARG B 26  ? 0.405 0.387 0.170 -0.008 0.045  0.009  355 ARG EEE CZ  
1160 N  NH1 . ARG B 26  ? 0.407 0.446 0.157 -0.013 0.043  0.005  355 ARG EEE NH1 
1161 N  NH2 . ARG B 26  ? 0.391 0.425 0.210 -0.037 0.039  0.069  355 ARG EEE NH2 
1162 N  N   . LYS B 27  ? 0.385 0.335 0.110 -0.031 -0.026 -0.014 356 LYS EEE N   
1163 C  CA  . LYS B 27  ? 0.414 0.332 0.127 -0.016 -0.013 -0.016 356 LYS EEE CA  
1164 C  C   . LYS B 27  ? 0.381 0.387 0.108 -0.019 0.005  0.042  356 LYS EEE C   
1165 O  O   . LYS B 27  ? 0.443 0.355 0.106 -0.061 0.012  -0.009 356 LYS EEE O   
1166 C  CB  . LYS B 27  ? 0.438 0.352 0.207 -0.025 0.027  -0.049 356 LYS EEE CB  
1167 C  CG  . LYS B 27  ? 0.509 0.398 0.246 -0.039 -0.014 0.034  356 LYS EEE CG  
1168 C  CD  . LYS B 27  ? 0.674 0.528 0.235 0.025  -0.089 0.073  356 LYS EEE CD  
1169 C  CE  . LYS B 27  ? 0.702 0.493 0.636 0.085  0.036  0.039  356 LYS EEE CE  
1170 N  NZ  . LYS B 27  ? 0.651 0.680 0.578 -0.122 -0.029 0.007  356 LYS EEE NZ  
1171 N  N   . ARG B 28  ? 0.422 0.357 0.102 -0.016 0.052  0.007  357 ARG EEE N   
1172 C  CA  . ARG B 28  ? 0.431 0.379 0.119 -0.033 0.068  0.057  357 ARG EEE CA  
1173 C  C   . ARG B 28  ? 0.418 0.381 0.160 -0.048 0.014  0.002  357 ARG EEE C   
1174 O  O   . ARG B 28  ? 0.472 0.386 0.213 -0.008 -0.011 0.047  357 ARG EEE O   
1175 C  CB  . ARG B 28  ? 0.450 0.408 0.155 -0.046 0.113  0.073  357 ARG EEE CB  
1176 C  CG  . ARG B 28  ? 0.473 0.415 0.173 -0.060 0.085  0.044  357 ARG EEE CG  
1177 C  CD  . ARG B 28  ? 0.525 0.421 0.157 -0.033 0.083  0.078  357 ARG EEE CD  
1178 N  NE  . ARG B 28  ? 0.503 0.485 0.172 -0.020 0.084  0.083  357 ARG EEE NE  
1179 C  CZ  . ARG B 28  ? 0.552 0.440 0.225 0.022  0.034  0.017  357 ARG EEE CZ  
1180 N  NH1 . ARG B 28  ? 0.582 0.458 0.231 -0.001 0.017  0.021  357 ARG EEE NH1 
1181 N  NH2 . ARG B 28  ? 0.515 0.520 0.279 0.056  0.038  0.037  357 ARG EEE NH2 
1182 N  N   . ILE B 29  ? 0.476 0.373 0.148 -0.040 0.009  0.014  358 ILE EEE N   
1183 C  CA  . ILE B 29  ? 0.478 0.376 0.239 -0.029 0.017  0.010  358 ILE EEE CA  
1184 C  C   . ILE B 29  ? 0.515 0.348 0.235 -0.017 0.088  -0.001 358 ILE EEE C   
1185 O  O   . ILE B 29  ? 0.486 0.399 0.295 -0.057 0.094  0.017  358 ILE EEE O   
1186 C  CB  . ILE B 29  ? 0.501 0.371 0.236 -0.045 0.014  -0.032 358 ILE EEE CB  
1187 C  CG1 . ILE B 29  ? 0.604 0.369 0.322 -0.117 0.033  -0.036 358 ILE EEE CG1 
1188 C  CG2 . ILE B 29  ? 0.530 0.364 0.356 -0.092 0.039  -0.048 358 ILE EEE CG2 
1189 C  CD1 . ILE B 29  ? 0.713 0.527 0.396 -0.048 0.093  0.071  358 ILE EEE CD1 
1190 N  N   . SER B 30  ? 0.558 0.383 0.198 -0.005 0.071  0.008  359 SER EEE N   
1191 C  CA  A SER B 30  ? 0.585 0.389 0.327 -0.013 0.117  0.016  359 SER EEE CA  
1192 C  CA  B SER B 30  ? 0.580 0.399 0.296 -0.005 0.144  0.012  359 SER EEE CA  
1193 C  C   . SER B 30  ? 0.617 0.394 0.273 0.003  0.153  0.007  359 SER EEE C   
1194 O  O   . SER B 30  ? 0.621 0.409 0.346 0.015  0.137  0.051  359 SER EEE O   
1195 C  CB  A SER B 30  ? 0.595 0.443 0.334 -0.021 0.118  -0.006 359 SER EEE CB  
1196 C  CB  B SER B 30  ? 0.591 0.425 0.332 -0.044 0.186  -0.002 359 SER EEE CB  
1197 O  OG  A SER B 30  ? 0.631 0.402 0.361 -0.024 0.085  -0.007 359 SER EEE OG  
1198 O  OG  B SER B 30  ? 0.611 0.501 0.398 -0.075 0.258  -0.035 359 SER EEE OG  
1199 N  N   . ASN B 31  ? 0.663 0.385 0.305 -0.003 0.103  0.025  360 ASN EEE N   
1200 C  CA  . ASN B 31  ? 0.734 0.360 0.408 -0.009 0.134  0.028  360 ASN EEE CA  
1201 C  C   . ASN B 31  ? 0.754 0.393 0.335 0.005  0.111  0.029  360 ASN EEE C   
1202 O  O   . ASN B 31  ? 0.729 0.434 0.335 0.007  0.133  0.010  360 ASN EEE O   
1203 C  CB  . ASN B 31  ? 0.850 0.420 0.384 -0.022 0.140  0.069  360 ASN EEE CB  
1204 C  CG  . ASN B 31  ? 0.798 0.450 0.526 -0.050 0.172  0.028  360 ASN EEE CG  
1205 O  OD1 . ASN B 31  ? 0.933 0.816 0.504 -0.229 0.218  0.178  360 ASN EEE OD1 
1206 N  ND2 . ASN B 31  ? 0.894 0.556 0.492 -0.100 0.064  -0.026 360 ASN EEE ND2 
1207 N  N   . CYS B 32  ? 0.651 0.393 0.329 -0.020 0.128  0.003  361 CYS EEE N   
1208 C  CA  . CYS B 32  ? 0.666 0.375 0.316 -0.006 0.123  0.006  361 CYS EEE CA  
1209 C  C   . CYS B 32  ? 0.654 0.392 0.347 -0.015 0.116  -0.059 361 CYS EEE C   
1210 O  O   . CYS B 32  ? 0.664 0.423 0.290 -0.003 0.126  -0.002 361 CYS EEE O   
1211 C  CB  . CYS B 32  ? 0.622 0.418 0.331 -0.009 0.071  -0.012 361 CYS EEE CB  
1212 S  SG  . CYS B 32  ? 0.617 0.424 0.258 -0.010 0.067  -0.005 361 CYS EEE SG  
1213 N  N   . VAL B 33  ? 0.654 0.374 0.380 -0.020 0.136  -0.060 362 VAL EEE N   
1214 C  CA  . VAL B 33  ? 0.651 0.421 0.392 -0.031 0.112  -0.051 362 VAL EEE CA  
1215 C  C   . VAL B 33  ? 0.595 0.444 0.375 -0.038 0.138  -0.075 362 VAL EEE C   
1216 O  O   . VAL B 33  ? 0.597 0.498 0.339 -0.047 0.150  -0.064 362 VAL EEE O   
1217 C  CB  . VAL B 33  ? 0.760 0.425 0.450 -0.050 0.144  -0.087 362 VAL EEE CB  
1218 C  CG1 . VAL B 33  ? 0.815 0.542 0.475 -0.000 0.101  -0.123 362 VAL EEE CG1 
1219 C  CG2 . VAL B 33  ? 0.769 0.448 0.576 -0.062 0.093  -0.002 362 VAL EEE CG2 
1220 N  N   . ALA B 34  ? 0.533 0.488 0.351 -0.065 0.135  -0.080 363 ALA EEE N   
1221 C  CA  . ALA B 34  ? 0.595 0.460 0.436 -0.086 0.075  -0.055 363 ALA EEE CA  
1222 C  C   . ALA B 34  ? 0.578 0.545 0.460 -0.081 0.122  -0.126 363 ALA EEE C   
1223 O  O   . ALA B 34  ? 0.585 0.685 0.345 -0.113 0.154  -0.158 363 ALA EEE O   
1224 C  CB  . ALA B 34  ? 0.641 0.447 0.390 -0.088 0.071  -0.092 363 ALA EEE CB  
1225 N  N   . ASP B 35  ? 0.552 0.518 0.385 -0.015 0.076  -0.072 364 ASP EEE N   
1226 C  CA  . ASP B 35  ? 0.664 0.470 0.376 -0.025 0.109  -0.056 364 ASP EEE CA  
1227 C  C   . ASP B 35  ? 0.554 0.451 0.342 -0.071 0.117  -0.081 364 ASP EEE C   
1228 O  O   . ASP B 35  ? 0.537 0.467 0.362 -0.074 0.109  -0.120 364 ASP EEE O   
1229 C  CB  . ASP B 35  ? 0.719 0.509 0.522 0.045  0.115  -0.036 364 ASP EEE CB  
1230 C  CG  . ASP B 35  ? 0.814 0.573 0.500 0.041  0.138  -0.049 364 ASP EEE CG  
1231 O  OD1 . ASP B 35  ? 0.808 0.523 0.300 -0.067 0.158  -0.082 364 ASP EEE OD1 
1232 O  OD2 . ASP B 35  ? 0.868 0.561 0.611 0.006  0.101  -0.087 364 ASP EEE OD2 
1233 N  N   . TYR B 36  ? 0.538 0.437 0.252 -0.096 0.129  -0.053 365 TYR EEE N   
1234 C  CA  . TYR B 36  ? 0.528 0.412 0.314 -0.103 0.163  -0.058 365 TYR EEE CA  
1235 C  C   . TYR B 36  ? 0.550 0.397 0.311 -0.065 0.153  -0.098 365 TYR EEE C   
1236 O  O   . TYR B 36  ? 0.581 0.395 0.325 -0.090 0.121  -0.097 365 TYR EEE O   
1237 C  CB  . TYR B 36  ? 0.546 0.439 0.309 -0.068 0.135  -0.112 365 TYR EEE CB  
1238 C  CG  . TYR B 36  ? 0.551 0.474 0.322 -0.081 0.162  -0.094 365 TYR EEE CG  
1239 C  CD1 . TYR B 36  ? 0.570 0.446 0.384 -0.120 0.169  -0.082 365 TYR EEE CD1 
1240 C  CD2 . TYR B 36  ? 0.575 0.456 0.316 -0.056 0.142  -0.058 365 TYR EEE CD2 
1241 C  CE1 . TYR B 36  ? 0.588 0.460 0.334 -0.051 0.088  -0.094 365 TYR EEE CE1 
1242 C  CE2 . TYR B 36  ? 0.617 0.487 0.315 -0.003 0.137  -0.097 365 TYR EEE CE2 
1243 C  CZ  . TYR B 36  ? 0.634 0.504 0.287 -0.038 0.168  -0.092 365 TYR EEE CZ  
1244 O  OH  . TYR B 36  ? 0.743 0.533 0.259 0.034  0.138  -0.077 365 TYR EEE OH  
1245 N  N   . SER B 37  ? 0.645 0.414 0.369 -0.092 0.171  -0.114 366 SER EEE N   
1246 C  CA  . SER B 37  ? 0.672 0.482 0.337 -0.124 0.119  -0.144 366 SER EEE CA  
1247 C  C   . SER B 37  ? 0.674 0.455 0.316 -0.131 0.151  -0.134 366 SER EEE C   
1248 O  O   . SER B 37  ? 0.649 0.500 0.351 -0.142 0.175  -0.122 366 SER EEE O   
1249 C  CB  . SER B 37  ? 0.712 0.528 0.458 -0.217 0.088  -0.135 366 SER EEE CB  
1250 O  OG  . SER B 37  ? 0.721 0.631 0.344 -0.214 0.026  -0.167 366 SER EEE OG  
1251 N  N   . VAL B 38  ? 0.633 0.437 0.327 -0.078 0.189  -0.139 367 VAL EEE N   
1252 C  CA  . VAL B 38  ? 0.631 0.465 0.373 -0.038 0.186  -0.144 367 VAL EEE CA  
1253 C  C   . VAL B 38  ? 0.639 0.454 0.333 -0.016 0.179  -0.132 367 VAL EEE C   
1254 O  O   . VAL B 38  ? 0.641 0.469 0.318 -0.057 0.149  -0.127 367 VAL EEE O   
1255 C  CB  . VAL B 38  ? 0.650 0.501 0.431 -0.028 0.211  -0.081 367 VAL EEE CB  
1256 C  CG1 . VAL B 38  ? 0.662 0.494 0.513 -0.042 0.175  -0.059 367 VAL EEE CG1 
1257 C  CG2 . VAL B 38  ? 0.764 0.488 0.524 -0.034 0.209  -0.052 367 VAL EEE CG2 
1258 N  N   . LEU B 39  ? 0.592 0.419 0.299 -0.001 0.155  -0.089 368 LEU EEE N   
1259 C  CA  . LEU B 39  ? 0.565 0.428 0.234 -0.031 0.119  -0.094 368 LEU EEE CA  
1260 C  C   . LEU B 39  ? 0.544 0.417 0.232 -0.083 0.111  -0.090 368 LEU EEE C   
1261 O  O   . LEU B 39  ? 0.545 0.418 0.236 -0.076 0.126  -0.087 368 LEU EEE O   
1262 C  CB  . LEU B 39  ? 0.521 0.455 0.193 -0.055 0.091  -0.100 368 LEU EEE CB  
1263 C  CG  . LEU B 39  ? 0.542 0.456 0.252 0.011  0.057  -0.053 368 LEU EEE CG  
1264 C  CD1 . LEU B 39  ? 0.555 0.450 0.268 0.002  0.070  -0.070 368 LEU EEE CD1 
1265 C  CD2 . LEU B 39  ? 0.533 0.473 0.263 0.057  0.017  -0.040 368 LEU EEE CD2 
1266 N  N   . TYR B 40  ? 0.568 0.443 0.222 -0.114 0.099  -0.081 369 TYR EEE N   
1267 C  CA  . TYR B 40  ? 0.599 0.451 0.247 -0.100 0.082  -0.068 369 TYR EEE CA  
1268 C  C   . TYR B 40  ? 0.647 0.467 0.249 -0.109 0.106  -0.082 369 TYR EEE C   
1269 O  O   . TYR B 40  ? 0.718 0.527 0.202 -0.158 0.076  -0.075 369 TYR EEE O   
1270 C  CB  . TYR B 40  ? 0.645 0.438 0.226 -0.113 0.046  -0.108 369 TYR EEE CB  
1271 C  CG  . TYR B 40  ? 0.693 0.474 0.241 -0.095 0.014  -0.102 369 TYR EEE CG  
1272 C  CD1 . TYR B 40  ? 0.674 0.466 0.219 -0.102 0.006  -0.099 369 TYR EEE CD1 
1273 C  CD2 . TYR B 40  ? 0.914 0.540 0.254 -0.050 -0.077 -0.167 369 TYR EEE CD2 
1274 C  CE1 . TYR B 40  ? 0.737 0.484 0.180 -0.086 -0.029 -0.138 369 TYR EEE CE1 
1275 C  CE2 . TYR B 40  ? 0.898 0.554 0.215 -0.067 0.020  -0.154 369 TYR EEE CE2 
1276 C  CZ  . TYR B 40  ? 0.793 0.518 0.162 -0.129 -0.028 -0.135 369 TYR EEE CZ  
1277 O  OH  . TYR B 40  ? 0.743 0.539 0.222 -0.110 0.074  -0.044 369 TYR EEE OH  
1278 N  N   . ASN B 41  ? 0.651 0.500 0.228 -0.083 0.139  -0.099 370 ASN EEE N   
1279 C  CA  . ASN B 41  ? 0.666 0.530 0.256 -0.143 0.164  -0.149 370 ASN EEE CA  
1280 C  C   . ASN B 41  ? 0.647 0.492 0.238 -0.102 0.174  -0.186 370 ASN EEE C   
1281 O  O   . ASN B 41  ? 0.655 0.535 0.264 -0.076 0.201  -0.151 370 ASN EEE O   
1282 C  CB  . ASN B 41  ? 0.736 0.542 0.355 -0.111 0.189  -0.209 370 ASN EEE CB  
1283 C  CG  . ASN B 41  ? 0.838 0.607 0.343 -0.216 0.151  -0.247 370 ASN EEE CG  
1284 O  OD1 . ASN B 41  ? 0.983 0.722 0.453 -0.147 0.131  -0.129 370 ASN EEE OD1 
1285 N  ND2 . ASN B 41  ? 0.965 0.695 0.436 -0.299 0.107  -0.135 370 ASN EEE ND2 
1286 N  N   . SER B 42  ? 0.649 0.500 0.230 -0.124 0.134  -0.162 371 SER EEE N   
1287 C  CA  . SER B 42  ? 0.632 0.467 0.268 -0.083 0.097  -0.116 371 SER EEE CA  
1288 C  C   . SER B 42  ? 0.593 0.487 0.279 -0.092 0.161  -0.124 371 SER EEE C   
1289 O  O   . SER B 42  ? 0.578 0.479 0.296 -0.099 0.138  -0.059 371 SER EEE O   
1290 C  CB  . SER B 42  ? 0.591 0.436 0.299 -0.069 0.049  -0.158 371 SER EEE CB  
1291 O  OG  . SER B 42  ? 0.572 0.510 0.308 -0.058 0.050  -0.059 371 SER EEE OG  
1292 N  N   . ALA B 43  ? 0.646 0.470 0.250 -0.069 0.181  -0.191 372 ALA EEE N   
1293 C  CA  . ALA B 43  ? 0.691 0.513 0.341 -0.099 0.192  -0.145 372 ALA EEE CA  
1294 C  C   . ALA B 43  ? 0.648 0.455 0.374 -0.110 0.166  -0.091 372 ALA EEE C   
1295 O  O   . ALA B 43  ? 0.741 0.527 0.317 -0.136 0.238  -0.054 372 ALA EEE O   
1296 C  CB  . ALA B 43  ? 0.705 0.540 0.389 -0.095 0.202  -0.191 372 ALA EEE CB  
1297 N  N   . SER B 44  ? 0.551 0.476 0.381 -0.036 0.119  -0.125 373 SER EEE N   
1298 C  CA  . SER B 44  ? 0.574 0.469 0.452 -0.035 0.121  -0.158 373 SER EEE CA  
1299 C  C   . SER B 44  ? 0.536 0.430 0.379 -0.069 0.111  -0.087 373 SER EEE C   
1300 O  O   . SER B 44  ? 0.553 0.450 0.405 -0.063 0.155  -0.143 373 SER EEE O   
1301 C  CB  . SER B 44  ? 0.646 0.497 0.482 -0.003 0.034  -0.148 373 SER EEE CB  
1302 O  OG  . SER B 44  ? 0.645 0.633 0.589 0.063  0.028  -0.165 373 SER EEE OG  
1303 N  N   . PHE B 45  ? 0.544 0.421 0.226 -0.052 0.093  -0.119 374 PHE EEE N   
1304 C  CA  . PHE B 45  ? 0.515 0.420 0.227 -0.062 0.049  -0.101 374 PHE EEE CA  
1305 C  C   . PHE B 45  ? 0.541 0.384 0.195 -0.055 0.088  -0.124 374 PHE EEE C   
1306 O  O   . PHE B 45  ? 0.649 0.430 0.172 -0.099 0.069  -0.117 374 PHE EEE O   
1307 C  CB  . PHE B 45  ? 0.513 0.419 0.171 -0.072 0.019  -0.092 374 PHE EEE CB  
1308 C  CG  . PHE B 45  ? 0.493 0.395 0.204 -0.045 0.050  -0.063 374 PHE EEE CG  
1309 C  CD1 . PHE B 45  ? 0.515 0.382 0.181 -0.069 0.080  -0.070 374 PHE EEE CD1 
1310 C  CD2 . PHE B 45  ? 0.499 0.388 0.217 -0.049 0.058  -0.096 374 PHE EEE CD2 
1311 C  CE1 . PHE B 45  ? 0.550 0.412 0.199 -0.026 0.094  -0.050 374 PHE EEE CE1 
1312 C  CE2 . PHE B 45  ? 0.589 0.428 0.260 -0.041 0.038  -0.053 374 PHE EEE CE2 
1313 C  CZ  . PHE B 45  ? 0.553 0.409 0.208 -0.042 0.115  -0.088 374 PHE EEE CZ  
1314 N  N   . SER B 46  ? 0.561 0.390 0.149 -0.061 0.107  -0.099 375 SER EEE N   
1315 C  CA  . SER B 46  ? 0.558 0.442 0.161 -0.062 0.075  -0.088 375 SER EEE CA  
1316 C  C   . SER B 46  ? 0.536 0.475 0.096 -0.085 0.103  -0.097 375 SER EEE C   
1317 O  O   . SER B 46  ? 0.620 0.444 0.134 -0.069 0.060  -0.058 375 SER EEE O   
1318 C  CB  . SER B 46  ? 0.577 0.469 0.161 -0.095 0.077  -0.115 375 SER EEE CB  
1319 O  OG  . SER B 46  ? 0.538 0.404 0.092 -0.099 0.070  -0.044 375 SER EEE OG  
1320 N  N   . THR B 47  ? 0.517 0.438 0.073 -0.069 0.083  -0.052 376 THR EEE N   
1321 C  CA  . THR B 47  ? 0.506 0.406 0.105 -0.075 0.045  -0.066 376 THR EEE CA  
1322 C  C   . THR B 47  ? 0.498 0.394 0.160 -0.107 0.024  -0.072 376 THR EEE C   
1323 O  O   . THR B 47  ? 0.481 0.438 0.135 -0.080 0.054  -0.077 376 THR EEE O   
1324 C  CB  . THR B 47  ? 0.497 0.403 0.100 -0.067 0.005  -0.068 376 THR EEE CB  
1325 O  OG1 . THR B 47  ? 0.519 0.417 0.139 -0.080 0.018  -0.055 376 THR EEE OG1 
1326 C  CG2 . THR B 47  ? 0.499 0.425 0.156 -0.049 -0.009 -0.083 376 THR EEE CG2 
1327 N  N   . PHE B 48  ? 0.505 0.436 0.070 -0.108 0.026  -0.076 377 PHE EEE N   
1328 C  CA  . PHE B 48  ? 0.491 0.402 0.126 -0.099 0.053  -0.091 377 PHE EEE CA  
1329 C  C   . PHE B 48  ? 0.525 0.400 0.108 -0.096 0.008  -0.093 377 PHE EEE C   
1330 O  O   . PHE B 48  ? 0.572 0.429 0.111 -0.111 0.055  -0.123 377 PHE EEE O   
1331 C  CB  . PHE B 48  ? 0.522 0.406 0.136 -0.082 0.050  -0.049 377 PHE EEE CB  
1332 C  CG  . PHE B 48  ? 0.535 0.387 0.144 -0.099 0.043  -0.053 377 PHE EEE CG  
1333 C  CD1 . PHE B 48  ? 0.526 0.396 0.126 -0.083 0.027  -0.044 377 PHE EEE CD1 
1334 C  CD2 . PHE B 48  ? 0.536 0.363 0.185 -0.064 0.072  -0.030 377 PHE EEE CD2 
1335 C  CE1 . PHE B 48  ? 0.523 0.417 0.151 -0.058 0.076  -0.026 377 PHE EEE CE1 
1336 C  CE2 . PHE B 48  ? 0.518 0.379 0.165 -0.083 0.018  -0.026 377 PHE EEE CE2 
1337 C  CZ  . PHE B 48  ? 0.527 0.406 0.129 -0.047 0.070  -0.066 377 PHE EEE CZ  
1338 N  N   . LYS B 49  ? 0.491 0.432 0.143 -0.097 0.008  -0.098 378 LYS EEE N   
1339 C  CA  . LYS B 49  ? 0.482 0.460 0.131 -0.094 0.032  -0.063 378 LYS EEE CA  
1340 C  C   . LYS B 49  ? 0.486 0.488 0.132 -0.137 0.032  -0.088 378 LYS EEE C   
1341 O  O   . LYS B 49  ? 0.478 0.436 0.134 -0.078 -0.010 -0.076 378 LYS EEE O   
1342 C  CB  . LYS B 49  ? 0.465 0.476 0.141 -0.104 -0.021 -0.027 378 LYS EEE CB  
1343 C  CG  . LYS B 49  ? 0.523 0.482 0.146 -0.099 0.008  -0.031 378 LYS EEE CG  
1344 C  CD  . LYS B 49  ? 0.541 0.484 0.125 -0.080 -0.028 -0.045 378 LYS EEE CD  
1345 C  CE  . LYS B 49  ? 0.497 0.463 0.132 -0.065 0.005  -0.057 378 LYS EEE CE  
1346 N  NZ  . LYS B 49  ? 0.538 0.473 0.107 -0.048 -0.002 -0.039 378 LYS EEE NZ  
1347 N  N   . CYS B 50  ? 0.483 0.482 0.132 -0.127 -0.018 -0.068 379 CYS EEE N   
1348 C  CA  . CYS B 50  ? 0.467 0.476 0.144 -0.125 -0.012 -0.086 379 CYS EEE CA  
1349 C  C   . CYS B 50  ? 0.492 0.505 0.166 -0.098 -0.020 -0.066 379 CYS EEE C   
1350 O  O   . CYS B 50  ? 0.527 0.555 0.194 -0.086 -0.061 -0.008 379 CYS EEE O   
1351 C  CB  . CYS B 50  ? 0.500 0.472 0.183 -0.117 0.027  -0.093 379 CYS EEE CB  
1352 S  SG  . CYS B 50  ? 0.528 0.473 0.198 -0.104 0.002  -0.070 379 CYS EEE SG  
1353 N  N   . TYR B 51  ? 0.483 0.511 0.140 -0.092 -0.035 -0.044 380 TYR EEE N   
1354 C  CA  . TYR B 51  ? 0.474 0.529 0.156 -0.101 -0.050 -0.043 380 TYR EEE CA  
1355 C  C   . TYR B 51  ? 0.478 0.512 0.240 -0.122 -0.085 -0.005 380 TYR EEE C   
1356 O  O   . TYR B 51  ? 0.507 0.544 0.192 -0.081 -0.034 -0.018 380 TYR EEE O   
1357 C  CB  . TYR B 51  ? 0.464 0.511 0.166 -0.099 -0.050 -0.027 380 TYR EEE CB  
1358 C  CG  . TYR B 51  ? 0.446 0.498 0.161 -0.086 -0.054 -0.030 380 TYR EEE CG  
1359 C  CD1 . TYR B 51  ? 0.441 0.427 0.122 -0.075 -0.038 -0.065 380 TYR EEE CD1 
1360 C  CD2 . TYR B 51  ? 0.501 0.496 0.149 -0.112 -0.060 -0.025 380 TYR EEE CD2 
1361 C  CE1 . TYR B 51  ? 0.434 0.466 0.169 -0.089 -0.032 -0.053 380 TYR EEE CE1 
1362 C  CE2 . TYR B 51  ? 0.495 0.541 0.169 -0.116 -0.052 -0.008 380 TYR EEE CE2 
1363 C  CZ  . TYR B 51  ? 0.485 0.493 0.185 -0.113 -0.033 -0.018 380 TYR EEE CZ  
1364 O  OH  . TYR B 51  ? 0.531 0.465 0.143 -0.136 -0.019 -0.063 380 TYR EEE OH  
1365 N  N   . GLY B 52  ? 0.494 0.536 0.254 -0.116 -0.104 -0.054 381 GLY EEE N   
1366 C  CA  . GLY B 52  ? 0.540 0.575 0.339 -0.140 -0.072 -0.031 381 GLY EEE CA  
1367 C  C   . GLY B 52  ? 0.500 0.569 0.343 -0.154 -0.051 -0.052 381 GLY EEE C   
1368 O  O   . GLY B 52  ? 0.559 0.591 0.598 -0.181 0.006  -0.019 381 GLY EEE O   
1369 N  N   . VAL B 53  ? 0.515 0.557 0.289 -0.141 -0.045 -0.040 382 VAL EEE N   
1370 C  CA  . VAL B 53  ? 0.544 0.548 0.354 -0.140 -0.013 -0.084 382 VAL EEE CA  
1371 C  C   . VAL B 53  ? 0.569 0.546 0.325 -0.144 -0.009 -0.122 382 VAL EEE C   
1372 O  O   . VAL B 53  ? 0.537 0.553 0.303 -0.130 0.024  -0.133 382 VAL EEE O   
1373 C  CB  . VAL B 53  ? 0.582 0.560 0.354 -0.100 0.005  -0.073 382 VAL EEE CB  
1374 C  CG1 . VAL B 53  ? 0.642 0.533 0.354 -0.104 -0.010 -0.128 382 VAL EEE CG1 
1375 C  CG2 . VAL B 53  ? 0.676 0.551 0.395 -0.115 0.021  -0.085 382 VAL EEE CG2 
1376 N  N   . SER B 54  ? 0.564 0.563 0.397 -0.100 0.059  -0.081 383 SER EEE N   
1377 C  CA  . SER B 54  ? 0.578 0.512 0.228 -0.128 0.019  -0.117 383 SER EEE CA  
1378 C  C   . SER B 54  ? 0.534 0.531 0.267 -0.142 0.029  -0.088 383 SER EEE C   
1379 O  O   . SER B 54  ? 0.502 0.533 0.273 -0.136 0.059  -0.102 383 SER EEE O   
1380 C  CB  . SER B 54  ? 0.606 0.601 0.232 -0.137 -0.015 -0.121 383 SER EEE CB  
1381 O  OG  . SER B 54  ? 0.637 0.590 0.301 -0.135 -0.029 -0.131 383 SER EEE OG  
1382 N  N   . PRO B 55  ? 0.539 0.540 0.250 -0.154 0.038  -0.143 384 PRO EEE N   
1383 C  CA  . PRO B 55  ? 0.566 0.539 0.304 -0.118 0.044  -0.149 384 PRO EEE CA  
1384 C  C   . PRO B 55  ? 0.581 0.561 0.261 -0.139 0.018  -0.175 384 PRO EEE C   
1385 O  O   . PRO B 55  ? 0.604 0.632 0.234 -0.108 0.072  -0.167 384 PRO EEE O   
1386 C  CB  . PRO B 55  ? 0.570 0.498 0.339 -0.113 0.054  -0.125 384 PRO EEE CB  
1387 C  CG  . PRO B 55  ? 0.568 0.494 0.274 -0.148 0.040  -0.136 384 PRO EEE CG  
1388 C  CD  . PRO B 55  ? 0.567 0.505 0.301 -0.139 0.044  -0.123 384 PRO EEE CD  
1389 N  N   . THR B 56  ? 0.646 0.573 0.256 -0.142 0.012  -0.187 385 THR EEE N   
1390 C  CA  . THR B 56  ? 0.634 0.573 0.289 -0.159 0.038  -0.187 385 THR EEE CA  
1391 C  C   . THR B 56  ? 0.654 0.551 0.277 -0.142 0.044  -0.186 385 THR EEE C   
1392 O  O   . THR B 56  ? 0.693 0.531 0.367 -0.166 0.085  -0.168 385 THR EEE O   
1393 C  CB  . THR B 56  ? 0.675 0.636 0.267 -0.170 0.069  -0.174 385 THR EEE CB  
1394 O  OG1 . THR B 56  ? 0.726 0.597 0.275 -0.145 0.115  -0.176 385 THR EEE OG1 
1395 C  CG2 . THR B 56  ? 0.780 0.619 0.299 -0.169 0.092  -0.178 385 THR EEE CG2 
1396 N  N   . LYS B 57  ? 0.593 0.586 0.274 -0.141 0.013  -0.151 386 LYS EEE N   
1397 C  CA  . LYS B 57  ? 0.602 0.602 0.283 -0.126 0.027  -0.193 386 LYS EEE CA  
1398 C  C   . LYS B 57  ? 0.547 0.494 0.304 -0.136 0.014  -0.139 386 LYS EEE C   
1399 O  O   . LYS B 57  ? 0.561 0.500 0.303 -0.139 0.028  -0.145 386 LYS EEE O   
1400 C  CB  . LYS B 57  ? 0.598 0.649 0.421 -0.110 -0.006 -0.168 386 LYS EEE CB  
1401 C  CG  . LYS B 57  ? 0.617 0.770 0.518 -0.047 0.049  -0.144 386 LYS EEE CG  
1402 C  CD  . LYS B 57  ? 0.655 0.938 0.717 0.021  0.002  -0.118 386 LYS EEE CD  
1403 C  CE  . LYS B 57  ? 0.643 1.025 0.860 -0.080 -0.035 -0.153 386 LYS EEE CE  
1404 N  NZ  . LYS B 57  ? 0.722 1.096 0.918 -0.029 -0.125 -0.119 386 LYS EEE NZ  
1405 N  N   . LEU B 58  ? 0.523 0.498 0.266 -0.130 0.023  -0.118 387 LEU EEE N   
1406 C  CA  . LEU B 58  ? 0.525 0.477 0.253 -0.123 0.036  -0.117 387 LEU EEE CA  
1407 C  C   . LEU B 58  ? 0.577 0.470 0.289 -0.101 0.057  -0.134 387 LEU EEE C   
1408 O  O   . LEU B 58  ? 0.577 0.458 0.277 -0.103 0.065  -0.154 387 LEU EEE O   
1409 C  CB  . LEU B 58  ? 0.532 0.445 0.241 -0.109 0.030  -0.095 387 LEU EEE CB  
1410 C  CG  . LEU B 58  ? 0.516 0.449 0.212 -0.110 0.027  -0.140 387 LEU EEE CG  
1411 C  CD1 . LEU B 58  ? 0.533 0.496 0.244 -0.129 0.017  -0.116 387 LEU EEE CD1 
1412 C  CD2 . LEU B 58  ? 0.494 0.454 0.256 -0.099 0.060  -0.115 387 LEU EEE CD2 
1413 N  N   . ASN B 59  ? 0.591 0.478 0.293 -0.099 0.067  -0.134 388 ASN EEE N   
1414 C  CA  . ASN B 59  ? 0.629 0.465 0.328 -0.093 0.087  -0.159 388 ASN EEE CA  
1415 C  C   . ASN B 59  ? 0.645 0.467 0.324 -0.104 0.081  -0.162 388 ASN EEE C   
1416 O  O   . ASN B 59  ? 0.656 0.464 0.384 -0.091 0.095  -0.148 388 ASN EEE O   
1417 C  CB  . ASN B 59  ? 0.635 0.502 0.370 -0.081 0.132  -0.147 388 ASN EEE CB  
1418 C  CG  . ASN B 59  ? 0.647 0.449 0.389 -0.098 0.110  -0.140 388 ASN EEE CG  
1419 O  OD1 . ASN B 59  ? 0.624 0.482 0.423 -0.099 0.054  -0.145 388 ASN EEE OD1 
1420 N  ND2 . ASN B 59  ? 0.710 0.537 0.504 -0.089 0.193  -0.176 388 ASN EEE ND2 
1421 N  N   . ASP B 60  ? 0.635 0.509 0.330 -0.129 0.065  -0.183 389 ASP EEE N   
1422 C  CA  . ASP B 60  ? 0.661 0.509 0.353 -0.152 0.082  -0.187 389 ASP EEE CA  
1423 C  C   . ASP B 60  ? 0.587 0.457 0.387 -0.173 0.089  -0.184 389 ASP EEE C   
1424 O  O   . ASP B 60  ? 0.568 0.563 0.440 -0.177 0.067  -0.191 389 ASP EEE O   
1425 C  CB  . ASP B 60  ? 0.661 0.568 0.383 -0.156 0.051  -0.170 389 ASP EEE CB  
1426 C  CG  . ASP B 60  ? 0.723 0.576 0.456 -0.169 0.028  -0.185 389 ASP EEE CG  
1427 O  OD1 . ASP B 60  ? 0.778 0.560 0.428 -0.127 0.077  -0.199 389 ASP EEE OD1 
1428 O  OD2 . ASP B 60  ? 0.721 0.677 0.565 -0.190 -0.009 -0.133 389 ASP EEE OD2 
1429 N  N   . LEU B 61  ? 0.591 0.502 0.329 -0.149 0.081  -0.167 390 LEU EEE N   
1430 C  CA  . LEU B 61  ? 0.563 0.519 0.344 -0.129 0.095  -0.172 390 LEU EEE CA  
1431 C  C   . LEU B 61  ? 0.575 0.516 0.318 -0.145 0.116  -0.118 390 LEU EEE C   
1432 O  O   . LEU B 61  ? 0.582 0.497 0.314 -0.109 0.133  -0.140 390 LEU EEE O   
1433 C  CB  . LEU B 61  ? 0.588 0.545 0.319 -0.105 0.069  -0.148 390 LEU EEE CB  
1434 C  CG  . LEU B 61  ? 0.610 0.613 0.380 -0.154 0.018  -0.145 390 LEU EEE CG  
1435 C  CD1 . LEU B 61  ? 0.572 0.616 0.328 -0.125 -0.005 -0.170 390 LEU EEE CD1 
1436 C  CD2 . LEU B 61  ? 0.606 0.703 0.452 -0.159 0.031  -0.130 390 LEU EEE CD2 
1437 N  N   . CYS B 62  ? 0.568 0.526 0.339 -0.166 0.131  -0.145 391 CYS EEE N   
1438 C  CA  . CYS B 62  ? 0.610 0.428 0.338 -0.155 0.118  -0.115 391 CYS EEE CA  
1439 C  C   . CYS B 62  ? 0.534 0.436 0.315 -0.136 0.115  -0.089 391 CYS EEE C   
1440 O  O   . CYS B 62  ? 0.545 0.502 0.311 -0.126 0.085  -0.111 391 CYS EEE O   
1441 C  CB  . CYS B 62  ? 0.710 0.484 0.371 -0.144 0.179  -0.074 391 CYS EEE CB  
1442 S  SG  . CYS B 62  ? 0.747 0.493 0.392 -0.122 0.158  -0.073 391 CYS EEE SG  
1443 N  N   . PHE B 63  ? 0.531 0.411 0.294 -0.122 0.133  -0.106 392 PHE EEE N   
1444 C  CA  . PHE B 63  ? 0.529 0.422 0.295 -0.074 0.106  -0.100 392 PHE EEE CA  
1445 C  C   . PHE B 63  ? 0.531 0.401 0.281 -0.055 0.147  -0.071 392 PHE EEE C   
1446 O  O   . PHE B 63  ? 0.567 0.378 0.270 -0.068 0.102  -0.060 392 PHE EEE O   
1447 C  CB  . PHE B 63  ? 0.527 0.429 0.298 -0.081 0.062  -0.082 392 PHE EEE CB  
1448 C  CG  . PHE B 63  ? 0.527 0.476 0.310 -0.130 0.026  -0.106 392 PHE EEE CG  
1449 C  CD1 . PHE B 63  ? 0.553 0.456 0.272 -0.111 0.039  -0.113 392 PHE EEE CD1 
1450 C  CD2 . PHE B 63  ? 0.568 0.512 0.272 -0.107 0.013  -0.083 392 PHE EEE CD2 
1451 C  CE1 . PHE B 63  ? 0.597 0.530 0.301 -0.114 0.027  -0.033 392 PHE EEE CE1 
1452 C  CE2 . PHE B 63  ? 0.608 0.454 0.268 -0.148 0.015  -0.046 392 PHE EEE CE2 
1453 C  CZ  . PHE B 63  ? 0.610 0.492 0.276 -0.140 -0.016 -0.082 392 PHE EEE CZ  
1454 N  N   . THR B 64  ? 0.500 0.394 0.263 -0.091 0.137  -0.068 393 THR EEE N   
1455 C  CA  . THR B 64  ? 0.484 0.356 0.259 -0.071 0.119  -0.059 393 THR EEE CA  
1456 C  C   . THR B 64  ? 0.477 0.360 0.261 -0.067 0.125  -0.027 393 THR EEE C   
1457 O  O   . THR B 64  ? 0.511 0.392 0.339 -0.025 0.115  0.002  393 THR EEE O   
1458 C  CB  . THR B 64  ? 0.481 0.381 0.251 -0.095 0.144  -0.038 393 THR EEE CB  
1459 O  OG1 . THR B 64  ? 0.516 0.444 0.278 -0.115 0.128  -0.060 393 THR EEE OG1 
1460 C  CG2 . THR B 64  ? 0.473 0.409 0.259 -0.076 0.113  -0.048 393 THR EEE CG2 
1461 N  N   . ASN B 65  ? 0.444 0.379 0.215 -0.072 0.091  -0.023 394 ASN EEE N   
1462 C  CA  . ASN B 65  ? 0.450 0.341 0.236 -0.065 0.087  0.009  394 ASN EEE CA  
1463 C  C   . ASN B 65  ? 0.452 0.395 0.211 -0.058 0.072  -0.006 394 ASN EEE C   
1464 O  O   . ASN B 65  ? 0.434 0.437 0.193 -0.043 0.090  -0.020 394 ASN EEE O   
1465 C  CB  . ASN B 65  ? 0.451 0.366 0.250 -0.078 0.062  -0.012 394 ASN EEE CB  
1466 C  CG  . ASN B 65  ? 0.502 0.393 0.257 -0.065 0.062  0.002  394 ASN EEE CG  
1467 O  OD1 . ASN B 65  ? 0.521 0.456 0.242 -0.026 0.064  0.003  394 ASN EEE OD1 
1468 N  ND2 . ASN B 65  ? 0.508 0.440 0.200 -0.082 0.060  -0.005 394 ASN EEE ND2 
1469 N  N   . VAL B 66  ? 0.442 0.387 0.192 -0.071 0.046  -0.001 395 VAL EEE N   
1470 C  CA  . VAL B 66  ? 0.407 0.365 0.184 -0.055 0.068  -0.025 395 VAL EEE CA  
1471 C  C   . VAL B 66  ? 0.410 0.351 0.172 -0.039 0.056  -0.022 395 VAL EEE C   
1472 O  O   . VAL B 66  ? 0.455 0.384 0.164 -0.036 0.039  -0.029 395 VAL EEE O   
1473 C  CB  . VAL B 66  ? 0.450 0.375 0.194 -0.049 0.067  -0.048 395 VAL EEE CB  
1474 C  CG1 . VAL B 66  ? 0.500 0.385 0.164 -0.070 0.054  -0.057 395 VAL EEE CG1 
1475 C  CG2 . VAL B 66  ? 0.483 0.406 0.218 -0.064 0.056  -0.069 395 VAL EEE CG2 
1476 N  N   . TYR B 67  ? 0.385 0.353 0.138 -0.049 0.064  -0.022 396 TYR EEE N   
1477 C  CA  . TYR B 67  ? 0.356 0.376 0.109 -0.060 0.029  0.016  396 TYR EEE CA  
1478 C  C   . TYR B 67  ? 0.363 0.386 0.120 -0.067 0.040  0.012  396 TYR EEE C   
1479 O  O   . TYR B 67  ? 0.408 0.421 0.140 -0.070 0.001  -0.022 396 TYR EEE O   
1480 C  CB  . TYR B 67  ? 0.351 0.416 0.091 -0.052 0.026  -0.014 396 TYR EEE CB  
1481 C  CG  . TYR B 67  ? 0.374 0.378 0.103 -0.064 0.035  -0.002 396 TYR EEE CG  
1482 C  CD1 . TYR B 67  ? 0.361 0.424 0.116 -0.060 0.023  -0.008 396 TYR EEE CD1 
1483 C  CD2 . TYR B 67  ? 0.387 0.429 0.133 -0.089 0.020  0.031  396 TYR EEE CD2 
1484 C  CE1 . TYR B 67  ? 0.369 0.396 0.130 -0.079 0.047  -0.062 396 TYR EEE CE1 
1485 C  CE2 . TYR B 67  ? 0.368 0.479 0.134 -0.103 0.041  -0.019 396 TYR EEE CE2 
1486 C  CZ  . TYR B 67  ? 0.373 0.442 0.129 -0.105 0.052  -0.034 396 TYR EEE CZ  
1487 O  OH  . TYR B 67  ? 0.409 0.521 0.141 -0.109 0.066  -0.045 396 TYR EEE OH  
1488 N  N   . ALA B 68  ? 0.367 0.354 0.083 -0.047 0.025  -0.010 397 ALA EEE N   
1489 C  CA  . ALA B 68  ? 0.373 0.366 0.090 -0.065 0.020  0.017  397 ALA EEE CA  
1490 C  C   . ALA B 68  ? 0.369 0.353 0.095 -0.014 0.009  -0.005 397 ALA EEE C   
1491 O  O   . ALA B 68  ? 0.419 0.363 0.124 -0.067 -0.028 0.010  397 ALA EEE O   
1492 C  CB  . ALA B 68  ? 0.449 0.376 0.120 -0.013 0.008  0.005  397 ALA EEE CB  
1493 N  N   . ASP B 69  ? 0.397 0.339 0.092 -0.015 0.016  -0.008 398 ASP EEE N   
1494 C  CA  . ASP B 69  ? 0.365 0.342 0.066 -0.034 0.007  0.005  398 ASP EEE CA  
1495 C  C   . ASP B 69  ? 0.357 0.363 0.114 -0.069 0.012  -0.017 398 ASP EEE C   
1496 O  O   . ASP B 69  ? 0.408 0.394 0.126 -0.033 0.017  -0.036 398 ASP EEE O   
1497 C  CB  . ASP B 69  ? 0.358 0.355 0.090 -0.031 0.001  -0.026 398 ASP EEE CB  
1498 C  CG  . ASP B 69  ? 0.362 0.359 0.132 -0.038 0.012  -0.001 398 ASP EEE CG  
1499 O  OD1 . ASP B 69  ? 0.391 0.367 0.132 -0.006 0.009  -0.003 398 ASP EEE OD1 
1500 O  OD2 . ASP B 69  ? 0.374 0.378 0.107 -0.035 0.003  -0.013 398 ASP EEE OD2 
1501 N  N   . SER B 70  ? 0.353 0.335 0.072 -0.035 0.000  -0.033 399 SER EEE N   
1502 C  CA  . SER B 70  ? 0.345 0.356 0.089 -0.045 -0.014 0.023  399 SER EEE CA  
1503 C  C   . SER B 70  ? 0.376 0.336 0.058 -0.019 0.025  -0.014 399 SER EEE C   
1504 O  O   . SER B 70  ? 0.365 0.326 0.077 -0.050 0.015  -0.040 399 SER EEE O   
1505 C  CB  . SER B 70  ? 0.361 0.371 0.138 -0.021 0.024  -0.008 399 SER EEE CB  
1506 O  OG  . SER B 70  ? 0.402 0.353 0.163 -0.029 -0.018 -0.009 399 SER EEE OG  
1507 N  N   . PHE B 71  ? 0.387 0.339 0.041 -0.022 0.008  -0.010 400 PHE EEE N   
1508 C  CA  . PHE B 71  ? 0.355 0.342 0.065 -0.023 0.020  -0.025 400 PHE EEE CA  
1509 C  C   . PHE B 71  ? 0.389 0.301 0.064 -0.029 0.019  -0.002 400 PHE EEE C   
1510 O  O   . PHE B 71  ? 0.397 0.324 0.109 -0.031 0.030  -0.039 400 PHE EEE O   
1511 C  CB  . PHE B 71  ? 0.323 0.361 0.072 -0.022 0.021  0.003  400 PHE EEE CB  
1512 C  CG  . PHE B 71  ? 0.368 0.358 0.059 -0.034 0.003  -0.000 400 PHE EEE CG  
1513 C  CD1 . PHE B 71  ? 0.358 0.351 0.065 -0.026 0.010  0.005  400 PHE EEE CD1 
1514 C  CD2 . PHE B 71  ? 0.346 0.406 0.042 -0.030 0.005  -0.015 400 PHE EEE CD2 
1515 C  CE1 . PHE B 71  ? 0.376 0.392 0.111 -0.033 -0.005 -0.063 400 PHE EEE CE1 
1516 C  CE2 . PHE B 71  ? 0.353 0.457 0.073 -0.023 -0.003 -0.030 400 PHE EEE CE2 
1517 C  CZ  . PHE B 71  ? 0.396 0.356 0.109 -0.020 -0.006 -0.011 400 PHE EEE CZ  
1518 N  N   . VAL B 72  ? 0.367 0.314 0.037 -0.033 0.023  -0.001 401 VAL EEE N   
1519 C  CA  . VAL B 72  ? 0.353 0.309 0.081 -0.045 0.054  -0.004 401 VAL EEE CA  
1520 C  C   . VAL B 72  ? 0.369 0.354 0.084 -0.009 0.018  -0.018 401 VAL EEE C   
1521 O  O   . VAL B 72  ? 0.367 0.324 0.058 -0.001 0.013  0.015  401 VAL EEE O   
1522 C  CB  . VAL B 72  ? 0.343 0.361 0.113 -0.011 0.048  -0.009 401 VAL EEE CB  
1523 C  CG1 . VAL B 72  ? 0.360 0.372 0.123 -0.027 0.045  -0.006 401 VAL EEE CG1 
1524 C  CG2 . VAL B 72  ? 0.359 0.368 0.172 -0.005 0.029  0.017  401 VAL EEE CG2 
1525 N  N   . ILE B 73  ? 0.372 0.315 0.079 -0.011 0.025  -0.030 402 ILE EEE N   
1526 C  CA  . ILE B 73  ? 0.372 0.323 0.034 -0.017 0.032  -0.034 402 ILE EEE CA  
1527 C  C   . ILE B 73  ? 0.365 0.347 0.096 -0.032 0.059  -0.002 402 ILE EEE C   
1528 O  O   . ILE B 73  ? 0.409 0.360 0.118 -0.001 0.037  -0.007 402 ILE EEE O   
1529 C  CB  . ILE B 73  ? 0.378 0.350 0.031 -0.048 0.027  0.008  402 ILE EEE CB  
1530 C  CG1 . ILE B 73  ? 0.369 0.330 0.104 -0.049 0.009  0.006  402 ILE EEE CG1 
1531 C  CG2 . ILE B 73  ? 0.349 0.389 0.049 -0.033 0.023  0.005  402 ILE EEE CG2 
1532 C  CD1 . ILE B 73  ? 0.397 0.382 0.107 -0.062 -0.029 0.006  402 ILE EEE CD1 
1533 N  N   . ARG B 74  ? 0.394 0.325 0.082 -0.043 0.026  -0.027 403 ARG EEE N   
1534 C  CA  . ARG B 74  ? 0.368 0.345 0.098 -0.024 0.047  -0.051 403 ARG EEE CA  
1535 C  C   . ARG B 74  ? 0.387 0.353 0.086 -0.035 0.046  -0.042 403 ARG EEE C   
1536 O  O   . ARG B 74  ? 0.382 0.400 0.053 -0.015 0.032  -0.021 403 ARG EEE O   
1537 C  CB  . ARG B 74  ? 0.388 0.345 0.080 -0.027 0.051  -0.060 403 ARG EEE CB  
1538 C  CG  . ARG B 74  ? 0.387 0.385 0.076 -0.027 0.060  -0.004 403 ARG EEE CG  
1539 C  CD  . ARG B 74  ? 0.415 0.383 0.144 -0.033 0.056  0.002  403 ARG EEE CD  
1540 N  NE  . ARG B 74  ? 0.460 0.352 0.105 -0.016 0.050  0.007  403 ARG EEE NE  
1541 C  CZ  . ARG B 74  ? 0.412 0.373 0.128 -0.017 0.013  -0.022 403 ARG EEE CZ  
1542 N  NH1 . ARG B 74  ? 0.412 0.443 0.283 0.007  0.008  -0.095 403 ARG EEE NH1 
1543 N  NH2 . ARG B 74  ? 0.498 0.389 0.137 -0.024 -0.022 -0.051 403 ARG EEE NH2 
1544 N  N   . GLY B 75  ? 0.413 0.360 0.053 -0.024 0.040  -0.026 404 GLY EEE N   
1545 C  CA  . GLY B 75  ? 0.436 0.420 0.060 -0.041 0.039  -0.048 404 GLY EEE CA  
1546 C  C   . GLY B 75  ? 0.424 0.399 0.088 -0.031 0.069  -0.034 404 GLY EEE C   
1547 O  O   . GLY B 75  ? 0.458 0.382 0.088 -0.043 0.042  -0.010 404 GLY EEE O   
1548 N  N   . ASP B 76  ? 0.474 0.406 0.080 -0.035 0.013  -0.032 405 ASP EEE N   
1549 C  CA  . ASP B 76  ? 0.468 0.436 0.044 -0.032 0.034  -0.005 405 ASP EEE CA  
1550 C  C   . ASP B 76  ? 0.439 0.417 0.089 -0.005 0.031  0.016  405 ASP EEE C   
1551 O  O   . ASP B 76  ? 0.455 0.426 0.073 -0.018 -0.002 -0.001 405 ASP EEE O   
1552 C  CB  . ASP B 76  ? 0.479 0.437 0.077 -0.032 0.043  0.002  405 ASP EEE CB  
1553 C  CG  . ASP B 76  ? 0.484 0.416 0.112 -0.063 0.006  0.018  405 ASP EEE CG  
1554 O  OD1 . ASP B 76  ? 0.509 0.402 0.127 -0.034 0.039  0.014  405 ASP EEE OD1 
1555 O  OD2 . ASP B 76  ? 0.540 0.392 0.196 -0.054 0.011  0.023  405 ASP EEE OD2 
1556 N  N   . GLU B 77  ? 0.402 0.397 0.083 -0.041 0.004  -0.004 406 GLU EEE N   
1557 C  CA  . GLU B 77  ? 0.406 0.395 0.055 -0.014 0.003  -0.029 406 GLU EEE CA  
1558 C  C   . GLU B 77  ? 0.411 0.391 0.049 -0.007 -0.019 -0.040 406 GLU EEE C   
1559 O  O   . GLU B 77  ? 0.416 0.380 0.067 -0.033 -0.017 -0.042 406 GLU EEE O   
1560 C  CB  . GLU B 77  ? 0.379 0.387 0.056 -0.020 -0.000 -0.019 406 GLU EEE CB  
1561 C  CG  . GLU B 77  ? 0.410 0.384 0.097 -0.021 -0.028 0.007  406 GLU EEE CG  
1562 C  CD  . GLU B 77  ? 0.399 0.372 0.107 -0.016 -0.013 -0.023 406 GLU EEE CD  
1563 O  OE1 . GLU B 77  ? 0.373 0.349 0.100 -0.022 0.015  -0.023 406 GLU EEE OE1 
1564 O  OE2 . GLU B 77  ? 0.465 0.374 0.088 -0.016 -0.021 -0.020 406 GLU EEE OE2 
1565 N  N   . VAL B 78  ? 0.422 0.380 0.062 -0.019 0.028  -0.019 407 VAL EEE N   
1566 C  CA  . VAL B 78  ? 0.423 0.387 0.070 -0.031 0.021  -0.021 407 VAL EEE CA  
1567 C  C   . VAL B 78  ? 0.450 0.403 0.096 -0.021 -0.021 -0.024 407 VAL EEE C   
1568 O  O   . VAL B 78  ? 0.460 0.403 0.094 -0.047 -0.042 -0.029 407 VAL EEE O   
1569 C  CB  . VAL B 78  ? 0.447 0.396 0.064 -0.007 0.032  0.004  407 VAL EEE CB  
1570 C  CG1 . VAL B 78  ? 0.497 0.426 0.032 -0.039 -0.016 -0.002 407 VAL EEE CG1 
1571 C  CG2 . VAL B 78  ? 0.414 0.378 0.139 0.015  0.047  0.007  407 VAL EEE CG2 
1572 N  N   . ARG B 79  ? 0.463 0.390 0.089 -0.056 -0.003 -0.013 408 ARG EEE N   
1573 C  CA  . ARG B 79  ? 0.480 0.425 0.062 -0.047 -0.026 -0.010 408 ARG EEE CA  
1574 C  C   . ARG B 79  ? 0.441 0.394 0.070 -0.063 -0.048 -0.032 408 ARG EEE C   
1575 O  O   . ARG B 79  ? 0.429 0.468 0.112 -0.067 -0.005 -0.033 408 ARG EEE O   
1576 C  CB  . ARG B 79  ? 0.475 0.475 0.068 -0.054 -0.050 0.011  408 ARG EEE CB  
1577 C  CG  . ARG B 79  ? 0.548 0.471 0.129 -0.016 -0.026 -0.010 408 ARG EEE CG  
1578 C  CD  . ARG B 79  ? 0.565 0.511 0.161 0.009  -0.069 -0.072 408 ARG EEE CD  
1579 N  NE  . ARG B 79  ? 0.553 0.481 0.206 0.036  -0.084 -0.025 408 ARG EEE NE  
1580 C  CZ  . ARG B 79  ? 0.528 0.409 0.218 0.019  -0.057 0.038  408 ARG EEE CZ  
1581 N  NH1 . ARG B 79  ? 0.517 0.524 0.223 -0.011 -0.066 -0.028 408 ARG EEE NH1 
1582 N  NH2 . ARG B 79  ? 0.568 0.437 0.177 -0.012 -0.029 0.003  408 ARG EEE NH2 
1583 N  N   . GLN B 80  ? 0.428 0.405 0.049 -0.052 -0.050 -0.025 409 GLN EEE N   
1584 C  CA  . GLN B 80  ? 0.408 0.377 0.138 -0.022 -0.019 -0.014 409 GLN EEE CA  
1585 C  C   . GLN B 80  ? 0.379 0.374 0.107 -0.037 -0.060 -0.025 409 GLN EEE C   
1586 O  O   . GLN B 80  ? 0.427 0.415 0.114 -0.018 -0.021 0.013  409 GLN EEE O   
1587 C  CB  . GLN B 80  ? 0.382 0.377 0.097 -0.034 -0.014 0.013  409 GLN EEE CB  
1588 C  CG  . GLN B 80  ? 0.430 0.368 0.139 -0.032 -0.012 0.022  409 GLN EEE CG  
1589 C  CD  . GLN B 80  ? 0.439 0.404 0.132 -0.014 -0.009 -0.014 409 GLN EEE CD  
1590 O  OE1 . GLN B 80  ? 0.405 0.392 0.117 -0.012 -0.027 0.002  409 GLN EEE OE1 
1591 N  NE2 . GLN B 80  ? 0.445 0.404 0.089 -0.025 -0.015 -0.046 409 GLN EEE NE2 
1592 N  N   . ILE B 81  ? 0.380 0.366 0.075 -0.041 -0.015 -0.020 410 ILE EEE N   
1593 C  CA  . ILE B 81  ? 0.392 0.373 0.120 -0.058 -0.013 -0.004 410 ILE EEE CA  
1594 C  C   . ILE B 81  ? 0.400 0.392 0.116 -0.061 -0.043 0.014  410 ILE EEE C   
1595 O  O   . ILE B 81  ? 0.421 0.422 0.096 -0.077 -0.030 -0.020 410 ILE EEE O   
1596 C  CB  . ILE B 81  ? 0.396 0.381 0.091 -0.040 -0.002 -0.018 410 ILE EEE CB  
1597 C  CG1 . ILE B 81  ? 0.415 0.388 0.087 -0.030 -0.040 -0.020 410 ILE EEE CG1 
1598 C  CG2 . ILE B 81  ? 0.397 0.374 0.075 -0.064 -0.010 -0.038 410 ILE EEE CG2 
1599 C  CD1 . ILE B 81  ? 0.451 0.350 0.103 -0.059 -0.001 -0.004 410 ILE EEE CD1 
1600 N  N   . ALA B 82  ? 0.386 0.421 0.170 -0.076 -0.052 -0.018 411 ALA EEE N   
1601 C  CA  . ALA B 82  ? 0.408 0.462 0.140 -0.068 -0.070 -0.033 411 ALA EEE CA  
1602 C  C   . ALA B 82  ? 0.436 0.474 0.138 -0.041 -0.056 -0.033 411 ALA EEE C   
1603 O  O   . ALA B 82  ? 0.431 0.459 0.205 -0.036 -0.038 -0.017 411 ALA EEE O   
1604 C  CB  . ALA B 82  ? 0.449 0.509 0.135 -0.035 -0.078 -0.032 411 ALA EEE CB  
1605 N  N   . PRO B 83  ? 0.431 0.478 0.201 -0.036 -0.059 -0.051 412 PRO EEE N   
1606 C  CA  . PRO B 83  ? 0.410 0.511 0.206 -0.043 -0.063 -0.036 412 PRO EEE CA  
1607 C  C   . PRO B 83  ? 0.482 0.551 0.148 -0.026 -0.074 -0.040 412 PRO EEE C   
1608 O  O   . PRO B 83  ? 0.545 0.557 0.182 -0.054 -0.062 -0.097 412 PRO EEE O   
1609 C  CB  . PRO B 83  ? 0.454 0.501 0.293 -0.062 -0.055 -0.038 412 PRO EEE CB  
1610 C  CG  . PRO B 83  ? 0.429 0.510 0.259 -0.063 -0.053 -0.015 412 PRO EEE CG  
1611 C  CD  . PRO B 83  ? 0.414 0.469 0.272 -0.052 -0.058 -0.038 412 PRO EEE CD  
1612 N  N   . GLY B 84  ? 0.487 0.515 0.198 0.001  -0.119 -0.018 413 GLY EEE N   
1613 C  CA  . GLY B 84  ? 0.454 0.588 0.216 -0.012 -0.112 0.047  413 GLY EEE CA  
1614 C  C   . GLY B 84  ? 0.478 0.570 0.235 -0.043 -0.146 0.050  413 GLY EEE C   
1615 O  O   . GLY B 84  ? 0.513 0.599 0.335 0.013  -0.128 0.113  413 GLY EEE O   
1616 N  N   . GLN B 85  ? 0.433 0.501 0.197 -0.015 -0.073 -0.005 414 GLN EEE N   
1617 C  CA  . GLN B 85  ? 0.445 0.483 0.184 -0.023 -0.101 0.010  414 GLN EEE CA  
1618 C  C   . GLN B 85  ? 0.503 0.508 0.172 -0.055 -0.077 -0.005 414 GLN EEE C   
1619 O  O   . GLN B 85  ? 0.460 0.530 0.164 -0.038 -0.095 -0.024 414 GLN EEE O   
1620 C  CB  . GLN B 85  ? 0.444 0.506 0.276 -0.011 -0.039 0.012  414 GLN EEE CB  
1621 C  CG  . GLN B 85  ? 0.504 0.545 0.284 -0.026 -0.095 -0.019 414 GLN EEE CG  
1622 C  CD  . GLN B 85  ? 0.594 0.600 0.244 -0.051 -0.059 -0.048 414 GLN EEE CD  
1623 O  OE1 . GLN B 85  ? 0.641 0.604 0.221 0.029  -0.051 0.064  414 GLN EEE OE1 
1624 N  NE2 . GLN B 85  ? 0.690 0.709 0.409 -0.061 -0.109 -0.191 414 GLN EEE NE2 
1625 N  N   . THR B 86  ? 0.478 0.502 0.174 -0.020 -0.054 0.002  415 THR EEE N   
1626 C  CA  . THR B 86  ? 0.526 0.465 0.206 -0.020 -0.079 0.040  415 THR EEE CA  
1627 C  C   . THR B 86  ? 0.514 0.422 0.203 -0.001 -0.092 -0.018 415 THR EEE C   
1628 O  O   . THR B 86  ? 0.536 0.502 0.192 -0.030 -0.072 -0.053 415 THR EEE O   
1629 C  CB  . THR B 86  ? 0.544 0.540 0.330 0.047  -0.048 0.075  415 THR EEE CB  
1630 O  OG1 . THR B 86  ? 0.688 0.616 0.241 -0.005 -0.177 0.063  415 THR EEE OG1 
1631 C  CG2 . THR B 86  ? 0.547 0.690 0.399 0.010  -0.123 0.012  415 THR EEE CG2 
1632 N  N   . GLY B 87  ? 0.486 0.447 0.124 -0.007 -0.060 -0.007 416 GLY EEE N   
1633 C  CA  . GLY B 87  ? 0.464 0.471 0.161 0.029  -0.109 0.060  416 GLY EEE CA  
1634 C  C   . GLY B 87  ? 0.417 0.390 0.137 -0.006 -0.056 0.015  416 GLY EEE C   
1635 O  O   . GLY B 87  ? 0.424 0.425 0.104 0.022  -0.043 0.008  416 GLY EEE O   
1636 N  N   . LYS B 88  ? 0.426 0.396 0.107 -0.019 -0.048 0.028  417 LYS EEE N   
1637 C  CA  . LYS B 88  ? 0.442 0.405 0.094 0.019  -0.026 0.004  417 LYS EEE CA  
1638 C  C   . LYS B 88  ? 0.390 0.377 0.113 -0.013 0.023  -0.010 417 LYS EEE C   
1639 O  O   . LYS B 88  ? 0.395 0.376 0.090 -0.015 -0.012 0.010  417 LYS EEE O   
1640 C  CB  . LYS B 88  ? 0.489 0.375 0.141 -0.021 -0.024 0.028  417 LYS EEE CB  
1641 C  CG  . LYS B 88  ? 0.574 0.405 0.111 0.039  -0.054 0.071  417 LYS EEE CG  
1642 C  CD  . LYS B 88  ? 0.599 0.400 0.258 0.074  -0.087 0.046  417 LYS EEE CD  
1643 C  CE  . LYS B 88  ? 0.632 0.491 0.351 -0.018 -0.048 0.140  417 LYS EEE CE  
1644 N  NZ  . LYS B 88  ? 0.834 0.602 0.310 0.110  -0.062 0.041  417 LYS EEE NZ  
1645 N  N   . ILE B 89  ? 0.375 0.365 0.076 -0.023 -0.016 -0.008 418 ILE EEE N   
1646 C  CA  . ILE B 89  ? 0.343 0.344 0.110 -0.002 -0.067 -0.026 418 ILE EEE CA  
1647 C  C   . ILE B 89  ? 0.331 0.392 0.070 0.003  -0.070 -0.005 418 ILE EEE C   
1648 O  O   . ILE B 89  ? 0.362 0.394 0.093 -0.013 -0.027 0.003  418 ILE EEE O   
1649 C  CB  . ILE B 89  ? 0.374 0.347 0.118 -0.008 -0.054 -0.045 418 ILE EEE CB  
1650 C  CG1 . ILE B 89  ? 0.390 0.400 0.078 -0.010 -0.013 -0.035 418 ILE EEE CG1 
1651 C  CG2 . ILE B 89  ? 0.404 0.358 0.083 -0.021 -0.030 -0.045 418 ILE EEE CG2 
1652 C  CD1 . ILE B 89  ? 0.357 0.441 0.078 -0.020 -0.011 -0.024 418 ILE EEE CD1 
1653 N  N   . ALA B 90  ? 0.356 0.401 0.051 -0.030 -0.067 0.012  419 ALA EEE N   
1654 C  CA  . ALA B 90  ? 0.335 0.437 0.091 -0.013 -0.061 0.003  419 ALA EEE CA  
1655 C  C   . ALA B 90  ? 0.347 0.405 0.113 -0.018 -0.077 -0.016 419 ALA EEE C   
1656 O  O   . ALA B 90  ? 0.397 0.479 0.147 -0.031 -0.024 -0.021 419 ALA EEE O   
1657 C  CB  . ALA B 90  ? 0.380 0.435 0.106 -0.043 -0.080 -0.006 419 ALA EEE CB  
1658 N  N   . ASP B 91  ? 0.352 0.402 0.121 -0.005 -0.049 -0.001 420 ASP EEE N   
1659 C  CA  . ASP B 91  ? 0.362 0.436 0.110 0.014  -0.047 -0.009 420 ASP EEE CA  
1660 C  C   . ASP B 91  ? 0.365 0.434 0.109 0.017  -0.046 -0.007 420 ASP EEE C   
1661 O  O   . ASP B 91  ? 0.389 0.439 0.126 -0.006 -0.023 -0.028 420 ASP EEE O   
1662 C  CB  . ASP B 91  ? 0.436 0.432 0.161 0.031  -0.060 -0.011 420 ASP EEE CB  
1663 C  CG  . ASP B 91  ? 0.499 0.494 0.211 -0.016 -0.126 0.026  420 ASP EEE CG  
1664 O  OD1 . ASP B 91  ? 0.482 0.513 0.242 0.063  -0.182 -0.086 420 ASP EEE OD1 
1665 O  OD2 . ASP B 91  ? 0.592 0.606 0.175 0.073  -0.061 0.119  420 ASP EEE OD2 
1666 N  N   . TYR B 92  ? 0.372 0.368 0.094 0.004  -0.032 0.010  421 TYR EEE N   
1667 C  CA  . TYR B 92  ? 0.338 0.386 0.116 0.013  -0.044 -0.005 421 TYR EEE CA  
1668 C  C   . TYR B 92  ? 0.330 0.368 0.085 0.009  -0.041 -0.026 421 TYR EEE C   
1669 O  O   . TYR B 92  ? 0.391 0.383 0.092 -0.036 -0.042 -0.042 421 TYR EEE O   
1670 C  CB  . TYR B 92  ? 0.355 0.373 0.098 0.025  0.006  -0.020 421 TYR EEE CB  
1671 C  CG  . TYR B 92  ? 0.370 0.365 0.098 0.002  -0.022 -0.020 421 TYR EEE CG  
1672 C  CD1 . TYR B 92  ? 0.368 0.368 0.117 -0.021 -0.002 -0.008 421 TYR EEE CD1 
1673 C  CD2 . TYR B 92  ? 0.369 0.391 0.159 -0.006 -0.011 0.009  421 TYR EEE CD2 
1674 C  CE1 . TYR B 92  ? 0.400 0.397 0.153 0.007  -0.005 -0.011 421 TYR EEE CE1 
1675 C  CE2 . TYR B 92  ? 0.425 0.413 0.175 0.019  -0.007 0.023  421 TYR EEE CE2 
1676 C  CZ  . TYR B 92  ? 0.421 0.372 0.161 0.030  -0.044 0.038  421 TYR EEE CZ  
1677 O  OH  . TYR B 92  ? 0.450 0.430 0.203 0.043  -0.087 0.077  421 TYR EEE OH  
1678 N  N   . ASN B 93  ? 0.349 0.336 0.120 -0.014 -0.013 -0.014 422 ASN EEE N   
1679 C  CA  . ASN B 93  ? 0.327 0.335 0.079 -0.010 -0.004 -0.048 422 ASN EEE CA  
1680 C  C   . ASN B 93  ? 0.331 0.366 0.073 -0.047 -0.038 -0.018 422 ASN EEE C   
1681 O  O   . ASN B 93  ? 0.346 0.367 0.086 -0.004 -0.016 -0.004 422 ASN EEE O   
1682 C  CB  . ASN B 93  ? 0.335 0.356 0.103 -0.009 0.007  -0.005 422 ASN EEE CB  
1683 C  CG  . ASN B 93  ? 0.291 0.326 0.104 0.027  0.013  -0.021 422 ASN EEE CG  
1684 O  OD1 . ASN B 93  ? 0.347 0.320 0.093 -0.031 -0.018 0.002  422 ASN EEE OD1 
1685 N  ND2 . ASN B 93  ? 0.370 0.338 0.081 0.003  -0.005 -0.004 422 ASN EEE ND2 
1686 N  N   . TYR B 94  ? 0.334 0.354 0.033 -0.030 -0.017 -0.007 423 TYR EEE N   
1687 C  CA  . TYR B 94  ? 0.337 0.358 0.056 -0.031 -0.018 0.020  423 TYR EEE CA  
1688 C  C   . TYR B 94  ? 0.312 0.363 0.137 -0.029 -0.035 -0.005 423 TYR EEE C   
1689 O  O   . TYR B 94  ? 0.368 0.371 0.145 -0.022 -0.015 0.010  423 TYR EEE O   
1690 C  CB  . TYR B 94  ? 0.313 0.353 0.119 -0.031 -0.058 0.014  423 TYR EEE CB  
1691 C  CG  . TYR B 94  ? 0.361 0.363 0.056 -0.056 -0.034 0.013  423 TYR EEE CG  
1692 C  CD1 . TYR B 94  ? 0.361 0.334 0.039 -0.011 -0.028 -0.012 423 TYR EEE CD1 
1693 C  CD2 . TYR B 94  ? 0.362 0.377 0.060 -0.047 -0.009 -0.023 423 TYR EEE CD2 
1694 C  CE1 . TYR B 94  ? 0.374 0.368 0.083 -0.069 0.009  -0.051 423 TYR EEE CE1 
1695 C  CE2 . TYR B 94  ? 0.409 0.371 0.063 -0.032 -0.019 -0.028 423 TYR EEE CE2 
1696 C  CZ  . TYR B 94  ? 0.395 0.357 0.073 -0.062 -0.024 -0.021 423 TYR EEE CZ  
1697 O  OH  . TYR B 94  ? 0.387 0.349 0.110 -0.047 -0.010 -0.023 423 TYR EEE OH  
1698 N  N   . LYS B 95  ? 0.328 0.383 0.122 -0.047 -0.024 -0.012 424 LYS EEE N   
1699 C  CA  . LYS B 95  ? 0.340 0.391 0.132 -0.015 -0.041 0.027  424 LYS EEE CA  
1700 C  C   . LYS B 95  ? 0.415 0.384 0.088 -0.024 -0.038 -0.027 424 LYS EEE C   
1701 O  O   . LYS B 95  ? 0.404 0.422 0.099 -0.038 -0.065 0.003  424 LYS EEE O   
1702 C  CB  . LYS B 95  ? 0.330 0.407 0.183 -0.025 0.007  0.039  424 LYS EEE CB  
1703 C  CG  . LYS B 95  ? 0.369 0.427 0.191 -0.043 -0.039 0.026  424 LYS EEE CG  
1704 C  CD  . LYS B 95  ? 0.429 0.454 0.205 -0.034 -0.061 0.046  424 LYS EEE CD  
1705 C  CE  . LYS B 95  ? 0.458 0.523 0.272 -0.033 -0.133 0.047  424 LYS EEE CE  
1706 N  NZ  . LYS B 95  ? 0.586 0.573 0.258 -0.009 -0.178 0.019  424 LYS EEE NZ  
1707 N  N   . LEU B 96  ? 0.411 0.442 0.095 -0.043 -0.057 -0.034 425 LEU EEE N   
1708 C  CA  . LEU B 96  ? 0.411 0.429 0.128 -0.037 -0.015 -0.037 425 LEU EEE CA  
1709 C  C   . LEU B 96  ? 0.405 0.438 0.181 -0.059 -0.049 -0.047 425 LEU EEE C   
1710 O  O   . LEU B 96  ? 0.402 0.450 0.250 -0.034 -0.077 -0.041 425 LEU EEE O   
1711 C  CB  . LEU B 96  ? 0.413 0.420 0.136 -0.046 -0.024 -0.051 425 LEU EEE CB  
1712 C  CG  . LEU B 96  ? 0.399 0.418 0.195 -0.061 -0.009 -0.050 425 LEU EEE CG  
1713 C  CD1 . LEU B 96  ? 0.453 0.447 0.211 -0.049 0.015  -0.062 425 LEU EEE CD1 
1714 C  CD2 . LEU B 96  ? 0.411 0.438 0.218 -0.048 -0.026 -0.030 425 LEU EEE CD2 
1715 N  N   . PRO B 97  ? 0.398 0.483 0.161 -0.065 -0.037 -0.035 426 PRO EEE N   
1716 C  CA  . PRO B 97  ? 0.390 0.499 0.214 -0.073 -0.031 -0.050 426 PRO EEE CA  
1717 C  C   . PRO B 97  ? 0.378 0.514 0.241 -0.053 -0.066 -0.071 426 PRO EEE C   
1718 O  O   . PRO B 97  ? 0.415 0.474 0.235 -0.056 -0.046 -0.050 426 PRO EEE O   
1719 C  CB  . PRO B 97  ? 0.441 0.493 0.242 -0.063 -0.042 -0.018 426 PRO EEE CB  
1720 C  CG  . PRO B 97  ? 0.400 0.511 0.249 -0.062 -0.012 -0.064 426 PRO EEE CG  
1721 C  CD  . PRO B 97  ? 0.407 0.462 0.198 -0.065 -0.060 -0.051 426 PRO EEE CD  
1722 N  N   . ASP B 98  ? 0.381 0.546 0.288 -0.039 -0.056 -0.050 427 ASP EEE N   
1723 C  CA  . ASP B 98  ? 0.422 0.575 0.319 -0.066 -0.095 -0.075 427 ASP EEE CA  
1724 C  C   . ASP B 98  ? 0.432 0.582 0.287 -0.075 -0.027 -0.093 427 ASP EEE C   
1725 O  O   . ASP B 98  ? 0.560 0.672 0.239 -0.126 -0.072 -0.050 427 ASP EEE O   
1726 C  CB  . ASP B 98  ? 0.428 0.607 0.434 -0.062 -0.139 -0.025 427 ASP EEE CB  
1727 C  CG  . ASP B 98  ? 0.434 0.595 0.534 -0.015 -0.109 0.019  427 ASP EEE CG  
1728 O  OD1 . ASP B 98  ? 0.449 0.597 0.462 -0.036 -0.134 0.093  427 ASP EEE OD1 
1729 O  OD2 . ASP B 98  ? 0.490 0.661 0.486 0.051  -0.126 0.054  427 ASP EEE OD2 
1730 N  N   . ASP B 99  ? 0.446 0.601 0.289 -0.080 -0.104 -0.045 428 ASP EEE N   
1731 C  CA  . ASP B 99  ? 0.452 0.590 0.439 -0.075 -0.037 -0.040 428 ASP EEE CA  
1732 C  C   . ASP B 99  ? 0.406 0.570 0.351 -0.134 -0.072 -0.041 428 ASP EEE C   
1733 O  O   . ASP B 99  ? 0.462 0.599 0.302 -0.130 -0.007 -0.025 428 ASP EEE O   
1734 C  CB  . ASP B 99  ? 0.474 0.697 0.555 -0.106 0.010  -0.049 428 ASP EEE CB  
1735 C  CG  . ASP B 99  ? 0.446 0.695 0.544 -0.089 0.003  0.003  428 ASP EEE CG  
1736 O  OD1 . ASP B 99  ? 0.514 0.653 0.395 -0.112 0.028  -0.068 428 ASP EEE OD1 
1737 O  OD2 . ASP B 99  ? 0.553 0.738 0.595 -0.134 0.064  0.035  428 ASP EEE OD2 
1738 N  N   . PHE B 100 ? 0.386 0.519 0.364 -0.092 -0.078 0.026  429 PHE EEE N   
1739 C  CA  . PHE B 100 ? 0.375 0.498 0.281 -0.098 -0.073 -0.009 429 PHE EEE CA  
1740 C  C   . PHE B 100 ? 0.439 0.515 0.228 -0.128 -0.094 -0.020 429 PHE EEE C   
1741 O  O   . PHE B 100 ? 0.447 0.587 0.220 -0.126 -0.051 -0.055 429 PHE EEE O   
1742 C  CB  . PHE B 100 ? 0.401 0.442 0.235 -0.081 -0.028 -0.033 429 PHE EEE CB  
1743 C  CG  . PHE B 100 ? 0.400 0.446 0.169 -0.079 -0.019 -0.032 429 PHE EEE CG  
1744 C  CD1 . PHE B 100 ? 0.397 0.471 0.173 -0.042 -0.014 -0.024 429 PHE EEE CD1 
1745 C  CD2 . PHE B 100 ? 0.382 0.447 0.182 -0.083 -0.020 -0.026 429 PHE EEE CD2 
1746 C  CE1 . PHE B 100 ? 0.392 0.452 0.153 -0.049 -0.019 -0.062 429 PHE EEE CE1 
1747 C  CE2 . PHE B 100 ? 0.406 0.449 0.208 -0.073 -0.025 -0.007 429 PHE EEE CE2 
1748 C  CZ  . PHE B 100 ? 0.410 0.437 0.183 -0.022 0.002  -0.040 429 PHE EEE CZ  
1749 N  N   . THR B 101 ? 0.437 0.510 0.227 -0.117 -0.056 -0.016 430 THR EEE N   
1750 C  CA  . THR B 101 ? 0.443 0.516 0.225 -0.128 -0.021 -0.033 430 THR EEE CA  
1751 C  C   . THR B 101 ? 0.422 0.511 0.200 -0.092 0.037  -0.037 430 THR EEE C   
1752 O  O   . THR B 101 ? 0.464 0.499 0.213 -0.082 -0.001 -0.036 430 THR EEE O   
1753 C  CB  . THR B 101 ? 0.444 0.522 0.284 -0.154 -0.029 -0.036 430 THR EEE CB  
1754 O  OG1 . THR B 101 ? 0.421 0.577 0.335 -0.137 0.016  -0.050 430 THR EEE OG1 
1755 C  CG2 . THR B 101 ? 0.539 0.561 0.259 -0.145 -0.016 -0.103 430 THR EEE CG2 
1756 N  N   . GLY B 102 ? 0.453 0.514 0.150 -0.075 0.021  -0.052 431 GLY EEE N   
1757 C  CA  . GLY B 102 ? 0.434 0.458 0.157 -0.101 0.034  -0.048 431 GLY EEE CA  
1758 C  C   . GLY B 102 ? 0.419 0.460 0.141 -0.109 0.002  -0.010 431 GLY EEE C   
1759 O  O   . GLY B 102 ? 0.463 0.470 0.135 -0.102 -0.004 -0.020 431 GLY EEE O   
1760 N  N   . CYS B 103 ? 0.404 0.426 0.176 -0.094 0.030  -0.044 432 CYS EEE N   
1761 C  CA  . CYS B 103 ? 0.414 0.428 0.108 -0.063 0.007  -0.040 432 CYS EEE CA  
1762 C  C   . CYS B 103 ? 0.477 0.425 0.094 -0.080 -0.010 -0.040 432 CYS EEE C   
1763 O  O   . CYS B 103 ? 0.446 0.444 0.094 -0.090 -0.013 -0.028 432 CYS EEE O   
1764 C  CB  . CYS B 103 ? 0.476 0.426 0.184 -0.061 0.023  -0.076 432 CYS EEE CB  
1765 S  SG  . CYS B 103 ? 0.513 0.455 0.209 -0.095 0.007  -0.069 432 CYS EEE SG  
1766 N  N   . VAL B 104 ? 0.425 0.394 0.098 -0.048 -0.003 -0.045 433 VAL EEE N   
1767 C  CA  . VAL B 104 ? 0.428 0.388 0.126 -0.045 -0.011 -0.052 433 VAL EEE CA  
1768 C  C   . VAL B 104 ? 0.424 0.378 0.120 -0.068 -0.015 -0.079 433 VAL EEE C   
1769 O  O   . VAL B 104 ? 0.466 0.397 0.091 -0.060 0.015  -0.054 433 VAL EEE O   
1770 C  CB  . VAL B 104 ? 0.397 0.410 0.096 -0.034 -0.028 -0.052 433 VAL EEE CB  
1771 C  CG1 . VAL B 104 ? 0.419 0.377 0.144 -0.024 0.000  -0.017 433 VAL EEE CG1 
1772 C  CG2 . VAL B 104 ? 0.414 0.412 0.098 -0.054 0.002  -0.045 433 VAL EEE CG2 
1773 N  N   . ILE B 105 ? 0.434 0.370 0.082 -0.064 -0.017 -0.066 434 ILE EEE N   
1774 C  CA  . ILE B 105 ? 0.446 0.357 0.115 -0.051 -0.018 -0.074 434 ILE EEE CA  
1775 C  C   . ILE B 105 ? 0.453 0.364 0.124 -0.068 0.071  -0.060 434 ILE EEE C   
1776 O  O   . ILE B 105 ? 0.446 0.369 0.113 -0.058 0.009  -0.053 434 ILE EEE O   
1777 C  CB  . ILE B 105 ? 0.470 0.322 0.139 -0.060 0.035  -0.069 434 ILE EEE CB  
1778 C  CG1 . ILE B 105 ? 0.485 0.361 0.134 -0.079 0.038  -0.045 434 ILE EEE CG1 
1779 C  CG2 . ILE B 105 ? 0.479 0.381 0.146 -0.056 0.061  -0.051 434 ILE EEE CG2 
1780 C  CD1 . ILE B 105 ? 0.478 0.398 0.145 -0.083 0.022  -0.024 434 ILE EEE CD1 
1781 N  N   . ALA B 106 ? 0.438 0.374 0.083 -0.046 0.047  -0.060 435 ALA EEE N   
1782 C  CA  . ALA B 106 ? 0.445 0.365 0.133 -0.048 0.036  -0.057 435 ALA EEE CA  
1783 C  C   . ALA B 106 ? 0.456 0.331 0.129 -0.066 0.053  -0.045 435 ALA EEE C   
1784 O  O   . ALA B 106 ? 0.507 0.375 0.140 -0.078 0.067  -0.072 435 ALA EEE O   
1785 C  CB  . ALA B 106 ? 0.448 0.346 0.167 -0.071 0.021  -0.055 435 ALA EEE CB  
1786 N  N   . TRP B 107 ? 0.435 0.376 0.109 -0.057 0.066  -0.052 436 TRP EEE N   
1787 C  CA  . TRP B 107 ? 0.461 0.372 0.121 -0.049 0.095  -0.044 436 TRP EEE CA  
1788 C  C   . TRP B 107 ? 0.451 0.364 0.121 -0.043 0.115  -0.044 436 TRP EEE C   
1789 O  O   . TRP B 107 ? 0.425 0.363 0.133 -0.035 0.078  -0.059 436 TRP EEE O   
1790 C  CB  . TRP B 107 ? 0.461 0.346 0.213 -0.050 0.110  -0.059 436 TRP EEE CB  
1791 C  CG  . TRP B 107 ? 0.454 0.374 0.236 -0.039 0.080  -0.046 436 TRP EEE CG  
1792 C  CD1 . TRP B 107 ? 0.467 0.397 0.230 -0.037 0.062  -0.046 436 TRP EEE CD1 
1793 C  CD2 . TRP B 107 ? 0.444 0.338 0.207 -0.027 0.048  -0.020 436 TRP EEE CD2 
1794 N  NE1 . TRP B 107 ? 0.427 0.419 0.230 -0.032 0.066  -0.042 436 TRP EEE NE1 
1795 C  CE2 . TRP B 107 ? 0.459 0.385 0.147 -0.060 0.084  -0.035 436 TRP EEE CE2 
1796 C  CE3 . TRP B 107 ? 0.456 0.391 0.170 -0.063 0.039  -0.049 436 TRP EEE CE3 
1797 C  CZ2 . TRP B 107 ? 0.445 0.353 0.169 -0.026 0.103  -0.013 436 TRP EEE CZ2 
1798 C  CZ3 . TRP B 107 ? 0.418 0.389 0.180 -0.045 0.030  -0.025 436 TRP EEE CZ3 
1799 C  CH2 . TRP B 107 ? 0.447 0.369 0.127 -0.047 0.051  -0.029 436 TRP EEE CH2 
1800 N  N   . ASN B 108 ? 0.452 0.386 0.129 -0.043 0.117  -0.028 437 ASN EEE N   
1801 C  CA  . ASN B 108 ? 0.423 0.396 0.180 -0.036 0.097  -0.035 437 ASN EEE CA  
1802 C  C   . ASN B 108 ? 0.443 0.381 0.188 -0.028 0.077  -0.064 437 ASN EEE C   
1803 O  O   . ASN B 108 ? 0.447 0.385 0.173 -0.024 0.065  -0.058 437 ASN EEE O   
1804 C  CB  . ASN B 108 ? 0.472 0.389 0.172 -0.040 0.108  -0.067 437 ASN EEE CB  
1805 C  CG  . ASN B 108 ? 0.441 0.375 0.232 -0.020 0.120  -0.049 437 ASN EEE CG  
1806 O  OD1 . ASN B 108 ? 0.505 0.411 0.163 -0.039 0.105  -0.032 437 ASN EEE OD1 
1807 N  ND2 . ASN B 108 ? 0.461 0.399 0.196 -0.025 0.089  -0.050 437 ASN EEE ND2 
1808 N  N   . SER B 109 ? 0.427 0.359 0.165 -0.019 0.097  -0.049 438 SER EEE N   
1809 C  CA  . SER B 109 ? 0.391 0.395 0.175 -0.023 0.108  -0.050 438 SER EEE CA  
1810 C  C   . SER B 109 ? 0.378 0.400 0.179 -0.020 0.096  -0.019 438 SER EEE C   
1811 O  O   . SER B 109 ? 0.446 0.389 0.184 -0.035 0.091  -0.015 438 SER EEE O   
1812 C  CB  . SER B 109 ? 0.387 0.344 0.156 -0.026 0.081  0.012  438 SER EEE CB  
1813 O  OG  . SER B 109 ? 0.386 0.349 0.171 -0.023 0.022  -0.031 438 SER EEE OG  
1814 N  N   . ASN B 110 ? 0.434 0.378 0.173 -0.015 0.100  -0.032 439 ASN EEE N   
1815 C  CA  . ASN B 110 ? 0.431 0.382 0.188 -0.014 0.125  -0.039 439 ASN EEE CA  
1816 C  C   . ASN B 110 ? 0.444 0.363 0.235 -0.001 0.140  -0.021 439 ASN EEE C   
1817 O  O   . ASN B 110 ? 0.433 0.393 0.296 -0.003 0.099  -0.026 439 ASN EEE O   
1818 C  CB  . ASN B 110 ? 0.486 0.394 0.189 -0.038 0.144  -0.063 439 ASN EEE CB  
1819 C  CG  . ASN B 110 ? 0.437 0.395 0.199 -0.024 0.133  -0.046 439 ASN EEE CG  
1820 O  OD1 . ASN B 110 ? 0.506 0.352 0.205 -0.005 0.083  -0.031 439 ASN EEE OD1 
1821 N  ND2 . ASN B 110 ? 0.511 0.439 0.219 -0.044 0.157  -0.080 439 ASN EEE ND2 
1822 N  N   . ASN B 111 ? 0.470 0.357 0.255 -0.005 0.130  -0.030 440 ASN EEE N   
1823 C  CA  . ASN B 111 ? 0.458 0.423 0.342 0.019  0.148  -0.007 440 ASN EEE CA  
1824 C  C   . ASN B 111 ? 0.417 0.451 0.344 0.028  0.087  -0.038 440 ASN EEE C   
1825 O  O   . ASN B 111 ? 0.435 0.517 0.368 0.009  0.071  0.034  440 ASN EEE O   
1826 C  CB  . ASN B 111 ? 0.537 0.452 0.402 0.055  0.143  -0.048 440 ASN EEE CB  
1827 C  CG  . ASN B 111 ? 0.600 0.405 0.561 0.010  0.104  -0.123 440 ASN EEE CG  
1828 O  OD1 . ASN B 111 ? 0.568 0.493 0.522 -0.011 0.039  -0.093 440 ASN EEE OD1 
1829 N  ND2 . ASN B 111 ? 0.706 0.473 0.811 0.110  0.113  -0.044 440 ASN EEE ND2 
1830 N  N   . LEU B 112 ? 0.437 0.379 0.269 0.048  0.079  -0.019 441 LEU EEE N   
1831 C  CA  . LEU B 112 ? 0.456 0.396 0.270 0.053  0.089  -0.023 441 LEU EEE CA  
1832 C  C   . LEU B 112 ? 0.384 0.401 0.248 0.032  0.019  -0.040 441 LEU EEE C   
1833 O  O   . LEU B 112 ? 0.434 0.463 0.281 0.059  -0.019 0.005  441 LEU EEE O   
1834 C  CB  . LEU B 112 ? 0.474 0.414 0.307 0.034  0.116  -0.039 441 LEU EEE CB  
1835 C  CG  . LEU B 112 ? 0.516 0.401 0.407 0.008  0.100  -0.040 441 LEU EEE CG  
1836 C  CD1 . LEU B 112 ? 0.542 0.411 0.454 0.021  0.186  -0.011 441 LEU EEE CD1 
1837 C  CD2 . LEU B 112 ? 0.541 0.503 0.479 0.045  0.090  0.002  441 LEU EEE CD2 
1838 N  N   . ASP B 113 ? 0.404 0.352 0.211 0.021  0.074  -0.006 442 ASP EEE N   
1839 C  CA  . ASP B 113 ? 0.374 0.347 0.185 -0.003 0.057  -0.017 442 ASP EEE CA  
1840 C  C   . ASP B 113 ? 0.353 0.351 0.187 0.006  0.063  -0.011 442 ASP EEE C   
1841 O  O   . ASP B 113 ? 0.450 0.339 0.192 -0.034 0.055  -0.035 442 ASP EEE O   
1842 C  CB  . ASP B 113 ? 0.377 0.315 0.201 -0.031 0.042  -0.029 442 ASP EEE CB  
1843 C  CG  . ASP B 113 ? 0.382 0.337 0.177 -0.007 0.022  0.012  442 ASP EEE CG  
1844 O  OD1 . ASP B 113 ? 0.401 0.349 0.191 0.028  0.016  0.025  442 ASP EEE OD1 
1845 O  OD2 . ASP B 113 ? 0.361 0.363 0.168 -0.007 0.042  0.009  442 ASP EEE OD2 
1846 N  N   . SER B 114 ? 0.382 0.381 0.203 0.003  0.067  -0.043 443 SER EEE N   
1847 C  CA  A SER B 114 ? 0.405 0.378 0.212 -0.001 0.070  -0.047 443 SER EEE CA  
1848 C  CA  B SER B 114 ? 0.389 0.382 0.211 0.006  0.088  -0.040 443 SER EEE CA  
1849 C  C   . SER B 114 ? 0.394 0.394 0.255 0.029  0.082  -0.025 443 SER EEE C   
1850 O  O   . SER B 114 ? 0.437 0.368 0.376 0.022  0.021  -0.036 443 SER EEE O   
1851 C  CB  A SER B 114 ? 0.451 0.430 0.221 -0.014 0.101  -0.007 443 SER EEE CB  
1852 C  CB  B SER B 114 ? 0.372 0.390 0.219 -0.005 0.131  -0.017 443 SER EEE CB  
1853 O  OG  A SER B 114 ? 0.482 0.470 0.266 0.029  0.052  -0.058 443 SER EEE OG  
1854 O  OG  B SER B 114 ? 0.373 0.381 0.190 -0.014 0.135  -0.010 443 SER EEE OG  
1855 N  N   . LYS B 115 ? 0.449 0.423 0.258 0.002  0.082  -0.060 444 LYS EEE N   
1856 C  CA  . LYS B 115 ? 0.439 0.450 0.298 -0.028 0.083  -0.050 444 LYS EEE CA  
1857 C  C   . LYS B 115 ? 0.404 0.433 0.310 -0.011 0.098  -0.066 444 LYS EEE C   
1858 O  O   . LYS B 115 ? 0.377 0.421 0.290 -0.042 0.066  -0.056 444 LYS EEE O   
1859 C  CB  . LYS B 115 ? 0.520 0.546 0.301 -0.025 0.026  -0.081 444 LYS EEE CB  
1860 C  CG  . LYS B 115 ? 0.559 0.732 0.405 -0.043 -0.023 -0.075 444 LYS EEE CG  
1861 C  CD  . LYS B 115 ? 0.871 0.842 0.376 0.006  -0.122 0.050  444 LYS EEE CD  
1862 C  CE  . LYS B 115 ? 0.841 0.956 0.449 0.028  -0.163 -0.060 444 LYS EEE CE  
1863 N  NZ  . LYS B 115 ? 1.024 1.151 0.505 0.041  0.071  -0.180 444 LYS EEE NZ  
1864 N  N   . VAL B 116 ? 0.401 0.428 0.370 -0.004 0.097  -0.083 445 VAL EEE N   
1865 C  CA  . VAL B 116 ? 0.424 0.464 0.373 -0.026 0.140  -0.078 445 VAL EEE CA  
1866 C  C   . VAL B 116 ? 0.423 0.448 0.382 -0.034 0.090  -0.091 445 VAL EEE C   
1867 O  O   . VAL B 116 ? 0.410 0.600 0.411 0.007  0.061  -0.039 445 VAL EEE O   
1868 C  CB  . VAL B 116 ? 0.424 0.534 0.474 -0.015 0.142  -0.061 445 VAL EEE CB  
1869 C  CG1 . VAL B 116 ? 0.463 0.558 0.512 -0.055 0.134  -0.094 445 VAL EEE CG1 
1870 C  CG2 . VAL B 116 ? 0.460 0.509 0.550 -0.015 0.183  -0.082 445 VAL EEE CG2 
1871 N  N   . GLY B 117 ? 0.413 0.464 0.443 -0.040 0.100  -0.050 446 GLY EEE N   
1872 C  CA  . GLY B 117 ? 0.434 0.524 0.474 -0.027 0.067  -0.104 446 GLY EEE CA  
1873 C  C   . GLY B 117 ? 0.442 0.413 0.375 -0.053 0.059  -0.083 446 GLY EEE C   
1874 O  O   . GLY B 117 ? 0.442 0.457 0.417 -0.034 0.064  -0.119 446 GLY EEE O   
1875 N  N   . GLY B 118 ? 0.406 0.390 0.272 -0.029 0.054  -0.054 447 GLY EEE N   
1876 C  CA  . GLY B 118 ? 0.407 0.400 0.238 -0.018 0.051  -0.051 447 GLY EEE CA  
1877 C  C   . GLY B 118 ? 0.360 0.390 0.249 -0.031 0.018  -0.042 447 GLY EEE C   
1878 O  O   . GLY B 118 ? 0.388 0.480 0.243 -0.035 0.025  -0.046 447 GLY EEE O   
1879 N  N   . ASN B 119 ? 0.370 0.373 0.199 -0.033 0.046  -0.032 448 ASN EEE N   
1880 C  CA  . ASN B 119 ? 0.381 0.415 0.186 -0.047 0.049  -0.037 448 ASN EEE CA  
1881 C  C   . ASN B 119 ? 0.365 0.358 0.210 -0.048 0.015  -0.024 448 ASN EEE C   
1882 O  O   . ASN B 119 ? 0.368 0.389 0.220 -0.002 0.008  -0.078 448 ASN EEE O   
1883 C  CB  . ASN B 119 ? 0.464 0.386 0.182 -0.001 0.048  -0.029 448 ASN EEE CB  
1884 C  CG  . ASN B 119 ? 0.462 0.371 0.173 -0.005 0.044  -0.022 448 ASN EEE CG  
1885 O  OD1 . ASN B 119 ? 0.465 0.390 0.182 0.005  0.005  -0.048 448 ASN EEE OD1 
1886 N  ND2 . ASN B 119 ? 0.447 0.383 0.181 -0.017 0.063  -0.030 448 ASN EEE ND2 
1887 N  N   . TYR B 120 ? 0.386 0.357 0.276 -0.042 0.063  -0.079 449 TYR EEE N   
1888 C  CA  . TYR B 120 ? 0.372 0.372 0.295 -0.050 0.065  -0.094 449 TYR EEE CA  
1889 C  C   . TYR B 120 ? 0.344 0.358 0.247 -0.027 0.031  -0.078 449 TYR EEE C   
1890 O  O   . TYR B 120 ? 0.382 0.392 0.247 -0.024 0.098  -0.064 449 TYR EEE O   
1891 C  CB  . TYR B 120 ? 0.398 0.392 0.361 -0.067 0.115  -0.149 449 TYR EEE CB  
1892 C  CG  . TYR B 120 ? 0.420 0.390 0.310 -0.015 0.051  -0.106 449 TYR EEE CG  
1893 C  CD1 . TYR B 120 ? 0.445 0.385 0.286 -0.041 0.031  -0.108 449 TYR EEE CD1 
1894 C  CD2 . TYR B 120 ? 0.431 0.418 0.352 -0.065 0.092  -0.118 449 TYR EEE CD2 
1895 C  CE1 . TYR B 120 ? 0.477 0.430 0.369 -0.101 0.067  -0.099 449 TYR EEE CE1 
1896 C  CE2 . TYR B 120 ? 0.452 0.424 0.376 -0.066 0.083  -0.091 449 TYR EEE CE2 
1897 C  CZ  . TYR B 120 ? 0.489 0.404 0.312 -0.063 0.092  -0.113 449 TYR EEE CZ  
1898 O  OH  . TYR B 120 ? 0.644 0.533 0.314 -0.146 0.060  -0.061 449 TYR EEE OH  
1899 N  N   . ASN B 121 ? 0.373 0.388 0.164 -0.025 -0.006 -0.039 450 ASN EEE N   
1900 C  CA  . ASN B 121 ? 0.362 0.413 0.134 -0.034 0.003  -0.062 450 ASN EEE CA  
1901 C  C   . ASN B 121 ? 0.354 0.410 0.087 -0.018 0.016  -0.005 450 ASN EEE C   
1902 O  O   . ASN B 121 ? 0.352 0.488 0.071 0.001  -0.001 -0.022 450 ASN EEE O   
1903 C  CB  . ASN B 121 ? 0.414 0.474 0.176 0.032  -0.038 -0.043 450 ASN EEE CB  
1904 C  CG  . ASN B 121 ? 0.444 0.566 0.407 0.043  -0.137 -0.083 450 ASN EEE CG  
1905 O  OD1 . ASN B 121 ? 0.465 0.715 0.321 -0.038 -0.064 -0.115 450 ASN EEE OD1 
1906 N  ND2 . ASN B 121 ? 0.508 0.752 0.374 0.178  -0.093 -0.087 450 ASN EEE ND2 
1907 N  N   . TYR B 122 ? 0.337 0.336 0.097 -0.010 0.011  -0.034 451 TYR EEE N   
1908 C  CA  . TYR B 122 ? 0.334 0.275 0.100 -0.041 0.036  -0.028 451 TYR EEE CA  
1909 C  C   . TYR B 122 ? 0.338 0.280 0.103 -0.039 -0.000 -0.036 451 TYR EEE C   
1910 O  O   . TYR B 122 ? 0.361 0.322 0.107 -0.015 0.043  -0.006 451 TYR EEE O   
1911 C  CB  . TYR B 122 ? 0.344 0.312 0.076 -0.023 0.011  -0.022 451 TYR EEE CB  
1912 C  CG  . TYR B 122 ? 0.326 0.329 0.079 -0.016 -0.015 0.009  451 TYR EEE CG  
1913 C  CD1 . TYR B 122 ? 0.343 0.341 0.135 -0.001 0.055  0.006  451 TYR EEE CD1 
1914 C  CD2 . TYR B 122 ? 0.357 0.360 0.122 -0.018 0.035  0.004  451 TYR EEE CD2 
1915 C  CE1 . TYR B 122 ? 0.356 0.337 0.151 -0.004 0.050  0.001  451 TYR EEE CE1 
1916 C  CE2 . TYR B 122 ? 0.354 0.353 0.110 -0.011 0.025  -0.039 451 TYR EEE CE2 
1917 C  CZ  . TYR B 122 ? 0.361 0.339 0.125 0.004  0.042  -0.023 451 TYR EEE CZ  
1918 O  OH  . TYR B 122 ? 0.390 0.353 0.125 0.018  0.034  0.009  451 TYR EEE OH  
1919 N  N   . LEU B 123 ? 0.320 0.334 0.109 -0.018 -0.020 -0.004 452 LEU EEE N   
1920 C  CA  . LEU B 123 ? 0.332 0.329 0.062 -0.010 0.021  -0.010 452 LEU EEE CA  
1921 C  C   . LEU B 123 ? 0.371 0.293 0.027 -0.008 0.000  -0.035 452 LEU EEE C   
1922 O  O   . LEU B 123 ? 0.330 0.320 0.108 -0.024 -0.033 0.001  452 LEU EEE O   
1923 C  CB  . LEU B 123 ? 0.337 0.328 0.072 -0.017 0.023  -0.023 452 LEU EEE CB  
1924 C  CG  . LEU B 123 ? 0.347 0.340 0.093 -0.019 0.012  -0.035 452 LEU EEE CG  
1925 C  CD1 . LEU B 123 ? 0.374 0.317 0.051 -0.015 -0.004 0.005  452 LEU EEE CD1 
1926 C  CD2 . LEU B 123 ? 0.340 0.327 0.059 -0.021 -0.030 -0.029 452 LEU EEE CD2 
1927 N  N   . TYR B 124 ? 0.336 0.307 0.075 -0.026 0.014  0.013  453 TYR EEE N   
1928 C  CA  . TYR B 124 ? 0.350 0.346 0.022 -0.013 -0.021 0.001  453 TYR EEE CA  
1929 C  C   . TYR B 124 ? 0.339 0.325 0.072 -0.016 -0.015 0.017  453 TYR EEE C   
1930 O  O   . TYR B 124 ? 0.314 0.331 0.092 -0.005 0.013  -0.011 453 TYR EEE O   
1931 C  CB  . TYR B 124 ? 0.361 0.328 0.031 -0.012 -0.031 -0.011 453 TYR EEE CB  
1932 C  CG  . TYR B 124 ? 0.362 0.329 0.056 -0.023 -0.028 -0.003 453 TYR EEE CG  
1933 C  CD1 . TYR B 124 ? 0.379 0.288 0.057 -0.030 -0.015 -0.008 453 TYR EEE CD1 
1934 C  CD2 . TYR B 124 ? 0.357 0.395 0.191 -0.020 -0.024 0.091  453 TYR EEE CD2 
1935 C  CE1 . TYR B 124 ? 0.387 0.325 0.089 -0.019 0.017  0.025  453 TYR EEE CE1 
1936 C  CE2 . TYR B 124 ? 0.415 0.439 0.204 -0.013 -0.029 0.124  453 TYR EEE CE2 
1937 C  CZ  . TYR B 124 ? 0.417 0.392 0.169 0.002  0.013  0.096  453 TYR EEE CZ  
1938 O  OH  . TYR B 124 ? 0.475 0.461 0.201 0.003  -0.003 0.152  453 TYR EEE OH  
1939 N  N   . ARG B 125 ? 0.340 0.306 0.097 -0.012 -0.011 0.021  454 ARG EEE N   
1940 C  CA  . ARG B 125 ? 0.315 0.338 0.063 0.007  -0.018 0.032  454 ARG EEE CA  
1941 C  C   . ARG B 125 ? 0.335 0.340 0.046 -0.025 -0.023 0.015  454 ARG EEE C   
1942 O  O   . ARG B 125 ? 0.324 0.343 0.083 -0.029 -0.024 -0.014 454 ARG EEE O   
1943 C  CB  . ARG B 125 ? 0.314 0.347 0.070 -0.004 -0.021 0.023  454 ARG EEE CB  
1944 C  CG  . ARG B 125 ? 0.311 0.330 0.105 0.009  -0.024 0.032  454 ARG EEE CG  
1945 C  CD  . ARG B 125 ? 0.300 0.341 0.094 0.011  -0.016 0.003  454 ARG EEE CD  
1946 N  NE  . ARG B 125 ? 0.355 0.329 0.094 0.007  -0.006 0.018  454 ARG EEE NE  
1947 C  CZ  . ARG B 125 ? 0.370 0.338 0.103 -0.023 0.002  0.011  454 ARG EEE CZ  
1948 N  NH1 . ARG B 125 ? 0.349 0.343 0.065 -0.037 -0.005 0.011  454 ARG EEE NH1 
1949 N  NH2 . ARG B 125 ? 0.380 0.336 0.076 -0.014 -0.016 -0.017 454 ARG EEE NH2 
1950 N  N   . LEU B 126 ? 0.382 0.334 0.060 -0.007 -0.005 0.000  455 LEU EEE N   
1951 C  CA  A LEU B 126 ? 0.432 0.314 0.069 0.003  -0.030 -0.012 455 LEU EEE CA  
1952 C  CA  B LEU B 126 ? 0.420 0.337 0.077 -0.002 -0.048 -0.008 455 LEU EEE CA  
1953 C  C   . LEU B 126 ? 0.431 0.357 0.078 0.014  -0.010 0.001  455 LEU EEE C   
1954 O  O   . LEU B 126 ? 0.422 0.389 0.088 -0.005 -0.017 0.014  455 LEU EEE O   
1955 C  CB  A LEU B 126 ? 0.456 0.316 0.098 -0.011 0.016  -0.061 455 LEU EEE CB  
1956 C  CB  B LEU B 126 ? 0.522 0.368 0.104 -0.072 -0.064 -0.029 455 LEU EEE CB  
1957 C  CG  A LEU B 126 ? 0.443 0.284 0.138 0.023  0.064  -0.050 455 LEU EEE CG  
1958 C  CG  B LEU B 126 ? 0.454 0.441 0.222 -0.065 -0.017 0.072  455 LEU EEE CG  
1959 C  CD1 A LEU B 126 ? 0.546 0.402 0.171 -0.020 0.084  -0.113 455 LEU EEE CD1 
1960 C  CD1 B LEU B 126 ? 0.535 0.321 0.157 -0.024 -0.040 0.122  455 LEU EEE CD1 
1961 C  CD2 A LEU B 126 ? 0.416 0.290 0.162 0.037  0.069  -0.046 455 LEU EEE CD2 
1962 C  CD2 B LEU B 126 ? 0.604 0.547 0.253 -0.113 -0.070 -0.007 455 LEU EEE CD2 
1963 N  N   . PHE B 127 ? 0.427 0.367 0.085 0.011  -0.008 -0.005 456 PHE EEE N   
1964 C  CA  . PHE B 127 ? 0.399 0.386 0.105 -0.001 0.002  0.018  456 PHE EEE CA  
1965 C  C   . PHE B 127 ? 0.374 0.387 0.108 0.047  0.016  0.015  456 PHE EEE C   
1966 O  O   . PHE B 127 ? 0.403 0.378 0.111 0.064  -0.004 0.009  456 PHE EEE O   
1967 C  CB  . PHE B 127 ? 0.518 0.355 0.160 0.008  0.037  0.012  456 PHE EEE CB  
1968 C  CG  . PHE B 127 ? 0.408 0.361 0.197 0.043  0.017  0.024  456 PHE EEE CG  
1969 C  CD1 . PHE B 127 ? 0.395 0.399 0.213 0.009  -0.024 0.035  456 PHE EEE CD1 
1970 C  CD2 . PHE B 127 ? 0.445 0.353 0.149 0.023  -0.034 -0.061 456 PHE EEE CD2 
1971 C  CE1 . PHE B 127 ? 0.444 0.465 0.204 -0.005 -0.003 0.060  456 PHE EEE CE1 
1972 C  CE2 . PHE B 127 ? 0.401 0.369 0.196 0.038  -0.051 -0.032 456 PHE EEE CE2 
1973 C  CZ  . PHE B 127 ? 0.437 0.411 0.154 -0.011 0.028  0.033  456 PHE EEE CZ  
1974 N  N   . ARG B 128 ? 0.382 0.420 0.136 0.041  -0.023 0.020  457 ARG EEE N   
1975 C  CA  . ARG B 128 ? 0.373 0.415 0.143 0.018  -0.011 -0.001 457 ARG EEE CA  
1976 C  C   . ARG B 128 ? 0.401 0.455 0.172 0.059  0.029  -0.002 457 ARG EEE C   
1977 O  O   . ARG B 128 ? 0.448 0.451 0.232 0.030  -0.048 0.043  457 ARG EEE O   
1978 C  CB  . ARG B 128 ? 0.388 0.417 0.132 0.019  -0.012 0.018  457 ARG EEE CB  
1979 C  CG  . ARG B 128 ? 0.364 0.402 0.168 0.008  0.009  0.022  457 ARG EEE CG  
1980 C  CD  . ARG B 128 ? 0.351 0.398 0.140 -0.011 0.005  0.038  457 ARG EEE CD  
1981 N  NE  . ARG B 128 ? 0.354 0.448 0.127 -0.032 -0.019 0.033  457 ARG EEE NE  
1982 C  CZ  . ARG B 128 ? 0.346 0.443 0.186 -0.020 -0.013 0.032  457 ARG EEE CZ  
1983 N  NH1 . ARG B 128 ? 0.374 0.469 0.186 0.018  -0.016 0.066  457 ARG EEE NH1 
1984 N  NH2 . ARG B 128 ? 0.414 0.494 0.193 -0.025 0.016  0.044  457 ARG EEE NH2 
1985 N  N   . LYS B 129 ? 0.404 0.422 0.217 0.022  -0.005 -0.034 458 LYS EEE N   
1986 C  CA  . LYS B 129 ? 0.419 0.493 0.326 0.048  -0.030 -0.038 458 LYS EEE CA  
1987 C  C   . LYS B 129 ? 0.434 0.443 0.328 0.075  -0.040 -0.056 458 LYS EEE C   
1988 O  O   . LYS B 129 ? 0.472 0.459 0.435 0.044  -0.123 -0.037 458 LYS EEE O   
1989 C  CB  . LYS B 129 ? 0.604 0.571 0.399 0.095  0.083  -0.148 458 LYS EEE CB  
1990 C  CG  . LYS B 129 ? 0.662 0.727 0.551 0.129  0.113  -0.160 458 LYS EEE CG  
1991 C  CD  . LYS B 129 ? 0.997 0.775 0.614 0.079  0.287  -0.211 458 LYS EEE CD  
1992 C  CE  . LYS B 129 ? 1.000 0.898 0.835 0.257  0.188  -0.229 458 LYS EEE CE  
1993 N  NZ  . LYS B 129 ? 1.049 1.136 0.819 0.299  0.141  -0.325 458 LYS EEE NZ  
1994 N  N   . SER B 130 ? 0.368 0.440 0.319 0.028  -0.006 -0.034 459 SER EEE N   
1995 C  CA  . SER B 130 ? 0.391 0.443 0.318 0.020  -0.055 0.009  459 SER EEE CA  
1996 C  C   . SER B 130 ? 0.331 0.444 0.283 -0.024 -0.028 0.005  459 SER EEE C   
1997 O  O   . SER B 130 ? 0.343 0.438 0.231 0.018  -0.007 -0.017 459 SER EEE O   
1998 C  CB  . SER B 130 ? 0.388 0.478 0.401 0.021  -0.011 0.002  459 SER EEE CB  
1999 O  OG  . SER B 130 ? 0.458 0.571 0.331 0.030  0.020  -0.003 459 SER EEE OG  
2000 N  N   . ASN B 131 ? 0.340 0.445 0.286 0.019  -0.069 0.008  460 ASN EEE N   
2001 C  CA  . ASN B 131 ? 0.357 0.430 0.253 0.004  -0.055 0.017  460 ASN EEE CA  
2002 C  C   . ASN B 131 ? 0.334 0.398 0.234 -0.006 -0.054 -0.011 460 ASN EEE C   
2003 O  O   . ASN B 131 ? 0.349 0.470 0.279 0.013  -0.030 0.019  460 ASN EEE O   
2004 C  CB  . ASN B 131 ? 0.406 0.432 0.272 0.015  -0.084 -0.002 460 ASN EEE CB  
2005 C  CG  . ASN B 131 ? 0.475 0.489 0.281 0.035  -0.093 0.016  460 ASN EEE CG  
2006 O  OD1 . ASN B 131 ? 0.516 0.471 0.253 0.031  -0.104 0.037  460 ASN EEE OD1 
2007 N  ND2 . ASN B 131 ? 0.558 0.639 0.309 0.002  -0.144 0.035  460 ASN EEE ND2 
2008 N  N   . LEU B 132 ? 0.366 0.405 0.194 0.013  -0.036 -0.021 461 LEU EEE N   
2009 C  CA  . LEU B 132 ? 0.388 0.390 0.186 0.008  -0.023 -0.022 461 LEU EEE CA  
2010 C  C   . LEU B 132 ? 0.396 0.406 0.233 -0.026 -0.008 0.038  461 LEU EEE C   
2011 O  O   . LEU B 132 ? 0.422 0.456 0.235 -0.019 -0.012 0.015  461 LEU EEE O   
2012 C  CB  . LEU B 132 ? 0.371 0.457 0.234 0.002  0.026  -0.043 461 LEU EEE CB  
2013 C  CG  . LEU B 132 ? 0.384 0.440 0.151 0.033  -0.011 -0.031 461 LEU EEE CG  
2014 C  CD1 . LEU B 132 ? 0.358 0.427 0.165 0.023  -0.032 -0.016 461 LEU EEE CD1 
2015 C  CD2 . LEU B 132 ? 0.368 0.477 0.159 0.001  -0.011 -0.052 461 LEU EEE CD2 
2016 N  N   . LYS B 133 ? 0.369 0.465 0.233 -0.015 0.015  0.011  462 LYS EEE N   
2017 C  CA  . LYS B 133 ? 0.340 0.493 0.271 -0.032 0.029  0.027  462 LYS EEE CA  
2018 C  C   . LYS B 133 ? 0.364 0.478 0.231 -0.051 0.036  0.026  462 LYS EEE C   
2019 O  O   . LYS B 133 ? 0.377 0.423 0.167 -0.044 -0.002 0.004  462 LYS EEE O   
2020 C  CB  . LYS B 133 ? 0.376 0.510 0.296 -0.072 0.066  -0.032 462 LYS EEE CB  
2021 C  CG  . LYS B 133 ? 0.467 0.513 0.544 -0.003 0.035  -0.051 462 LYS EEE CG  
2022 C  CD  . LYS B 133 ? 0.596 0.750 0.578 0.035  0.001  0.018  462 LYS EEE CD  
2023 C  CE  . LYS B 133 ? 0.772 0.879 0.930 0.091  0.124  -0.160 462 LYS EEE CE  
2024 N  NZ  . LYS B 133 ? 0.938 1.156 1.131 0.100  0.297  -0.098 462 LYS EEE NZ  
2025 N  N   . PRO B 134 ? 0.396 0.504 0.219 -0.033 -0.007 0.006  463 PRO EEE N   
2026 C  CA  . PRO B 134 ? 0.391 0.450 0.181 -0.058 -0.030 0.016  463 PRO EEE CA  
2027 C  C   . PRO B 134 ? 0.356 0.436 0.166 -0.047 0.000  0.017  463 PRO EEE C   
2028 O  O   . PRO B 134 ? 0.337 0.485 0.171 -0.084 -0.003 -0.004 463 PRO EEE O   
2029 C  CB  . PRO B 134 ? 0.419 0.439 0.234 -0.067 -0.028 -0.018 463 PRO EEE CB  
2030 C  CG  . PRO B 134 ? 0.421 0.495 0.259 -0.056 -0.058 -0.013 463 PRO EEE CG  
2031 C  CD  . PRO B 134 ? 0.403 0.485 0.273 -0.066 -0.023 -0.007 463 PRO EEE CD  
2032 N  N   . PHE B 135 ? 0.361 0.387 0.122 -0.045 -0.002 -0.007 464 PHE EEE N   
2033 C  CA  . PHE B 135 ? 0.367 0.391 0.148 -0.036 -0.009 -0.001 464 PHE EEE CA  
2034 C  C   . PHE B 135 ? 0.395 0.378 0.130 -0.032 -0.003 0.013  464 PHE EEE C   
2035 O  O   . PHE B 135 ? 0.407 0.405 0.108 -0.039 0.000  0.007  464 PHE EEE O   
2036 C  CB  . PHE B 135 ? 0.382 0.410 0.155 -0.066 0.021  -0.014 464 PHE EEE CB  
2037 C  CG  . PHE B 135 ? 0.414 0.378 0.162 -0.068 0.014  -0.004 464 PHE EEE CG  
2038 C  CD1 . PHE B 135 ? 0.380 0.398 0.163 -0.065 -0.024 -0.035 464 PHE EEE CD1 
2039 C  CD2 . PHE B 135 ? 0.396 0.442 0.218 -0.070 0.044  -0.030 464 PHE EEE CD2 
2040 C  CE1 . PHE B 135 ? 0.440 0.379 0.165 -0.070 0.010  -0.032 464 PHE EEE CE1 
2041 C  CE2 . PHE B 135 ? 0.465 0.462 0.196 -0.078 0.006  -0.022 464 PHE EEE CE2 
2042 C  CZ  . PHE B 135 ? 0.458 0.443 0.171 -0.097 0.001  -0.031 464 PHE EEE CZ  
2043 N  N   . GLU B 136 ? 0.354 0.370 0.149 -0.053 -0.035 -0.007 465 GLU EEE N   
2044 C  CA  . GLU B 136 ? 0.382 0.400 0.117 -0.057 -0.004 0.007  465 GLU EEE CA  
2045 C  C   . GLU B 136 ? 0.371 0.403 0.092 -0.030 0.010  -0.016 465 GLU EEE C   
2046 O  O   . GLU B 136 ? 0.344 0.396 0.084 -0.040 -0.004 -0.002 465 GLU EEE O   
2047 C  CB  . GLU B 136 ? 0.415 0.419 0.202 -0.032 -0.021 0.016  465 GLU EEE CB  
2048 C  CG  . GLU B 136 ? 0.417 0.428 0.235 -0.010 0.014  -0.006 465 GLU EEE CG  
2049 C  CD  . GLU B 136 ? 0.468 0.464 0.297 0.034  -0.033 -0.053 465 GLU EEE CD  
2050 O  OE1 . GLU B 136 ? 0.360 0.499 0.261 0.002  0.024  -0.032 465 GLU EEE OE1 
2051 O  OE2 . GLU B 136 ? 0.547 0.526 0.261 0.052  -0.002 -0.058 465 GLU EEE OE2 
2052 N  N   . ARG B 137 ? 0.357 0.400 0.082 -0.042 0.030  0.005  466 ARG EEE N   
2053 C  CA  . ARG B 137 ? 0.365 0.355 0.093 -0.034 0.027  -0.001 466 ARG EEE CA  
2054 C  C   . ARG B 137 ? 0.354 0.351 0.099 -0.053 0.048  -0.004 466 ARG EEE C   
2055 O  O   . ARG B 137 ? 0.479 0.389 0.119 -0.039 0.108  -0.043 466 ARG EEE O   
2056 C  CB  . ARG B 137 ? 0.379 0.372 0.128 -0.010 0.012  -0.009 466 ARG EEE CB  
2057 C  CG  . ARG B 137 ? 0.384 0.336 0.103 -0.039 -0.007 -0.017 466 ARG EEE CG  
2058 C  CD  . ARG B 137 ? 0.366 0.345 0.082 -0.031 0.037  -0.004 466 ARG EEE CD  
2059 N  NE  . ARG B 137 ? 0.365 0.358 0.099 -0.050 0.028  -0.007 466 ARG EEE NE  
2060 C  CZ  . ARG B 137 ? 0.351 0.360 0.126 -0.026 0.014  -0.035 466 ARG EEE CZ  
2061 N  NH1 . ARG B 137 ? 0.378 0.398 0.095 -0.019 0.010  -0.003 466 ARG EEE NH1 
2062 N  NH2 . ARG B 137 ? 0.354 0.399 0.134 -0.040 -0.022 0.033  466 ARG EEE NH2 
2063 N  N   . ASP B 138 ? 0.357 0.354 0.074 -0.045 0.016  0.008  467 ASP EEE N   
2064 C  CA  . ASP B 138 ? 0.357 0.344 0.080 -0.033 0.009  0.016  467 ASP EEE CA  
2065 C  C   . ASP B 138 ? 0.350 0.374 0.084 -0.030 0.011  0.007  467 ASP EEE C   
2066 O  O   . ASP B 138 ? 0.329 0.324 0.087 -0.027 0.003  0.014  467 ASP EEE O   
2067 C  CB  . ASP B 138 ? 0.330 0.345 0.124 -0.002 0.021  0.021  467 ASP EEE CB  
2068 C  CG  . ASP B 138 ? 0.344 0.353 0.153 0.005  -0.030 0.011  467 ASP EEE CG  
2069 O  OD1 . ASP B 138 ? 0.350 0.392 0.140 -0.003 -0.018 -0.014 467 ASP EEE OD1 
2070 O  OD2 . ASP B 138 ? 0.369 0.391 0.140 0.036  -0.026 0.016  467 ASP EEE OD2 
2071 N  N   . ILE B 139 ? 0.333 0.355 0.075 -0.014 0.034  0.004  468 ILE EEE N   
2072 C  CA  A ILE B 139 ? 0.338 0.317 0.092 -0.022 0.028  0.011  468 ILE EEE CA  
2073 C  CA  B ILE B 139 ? 0.338 0.311 0.091 -0.020 0.024  0.018  468 ILE EEE CA  
2074 C  C   . ILE B 139 ? 0.330 0.337 0.082 -0.019 0.014  0.001  468 ILE EEE C   
2075 O  O   . ILE B 139 ? 0.362 0.362 0.093 -0.029 -0.033 -0.002 468 ILE EEE O   
2076 C  CB  A ILE B 139 ? 0.383 0.321 0.089 -0.018 0.015  0.014  468 ILE EEE CB  
2077 C  CB  B ILE B 139 ? 0.375 0.318 0.099 -0.017 0.011  0.026  468 ILE EEE CB  
2078 C  CG1 A ILE B 139 ? 0.369 0.373 0.132 -0.043 0.039  0.026  468 ILE EEE CG1 
2079 C  CG1 B ILE B 139 ? 0.379 0.364 0.117 -0.046 0.015  0.064  468 ILE EEE CG1 
2080 C  CG2 A ILE B 139 ? 0.373 0.295 0.133 -0.012 -0.000 0.008  468 ILE EEE CG2 
2081 C  CG2 B ILE B 139 ? 0.352 0.318 0.128 -0.009 -0.003 0.019  468 ILE EEE CG2 
2082 C  CD1 A ILE B 139 ? 0.443 0.417 0.154 -0.073 0.046  -0.005 468 ILE EEE CD1 
2083 C  CD1 B ILE B 139 ? 0.421 0.350 0.169 -0.055 -0.019 0.074  468 ILE EEE CD1 
2084 N  N   . SER B 140 ? 0.351 0.321 0.103 -0.011 0.010  -0.002 469 SER EEE N   
2085 C  CA  . SER B 140 ? 0.379 0.327 0.100 -0.021 0.028  -0.013 469 SER EEE CA  
2086 C  C   . SER B 140 ? 0.345 0.295 0.138 -0.008 0.037  -0.035 469 SER EEE C   
2087 O  O   . SER B 140 ? 0.349 0.328 0.121 0.011  0.015  -0.020 469 SER EEE O   
2088 C  CB  . SER B 140 ? 0.380 0.390 0.141 -0.005 0.000  0.016  469 SER EEE CB  
2089 O  OG  . SER B 140 ? 0.355 0.345 0.137 0.016  0.014  0.009  469 SER EEE OG  
2090 N  N   . THR B 141 ? 0.351 0.330 0.091 -0.017 -0.003 -0.022 470 THR EEE N   
2091 C  CA  . THR B 141 ? 0.373 0.339 0.109 -0.027 -0.007 0.004  470 THR EEE CA  
2092 C  C   . THR B 141 ? 0.401 0.358 0.111 -0.029 0.037  -0.003 470 THR EEE C   
2093 O  O   . THR B 141 ? 0.416 0.377 0.162 -0.014 0.002  -0.036 470 THR EEE O   
2094 C  CB  . THR B 141 ? 0.397 0.370 0.147 -0.006 -0.020 0.028  470 THR EEE CB  
2095 O  OG1 . THR B 141 ? 0.424 0.392 0.149 -0.042 -0.096 0.061  470 THR EEE OG1 
2096 C  CG2 . THR B 141 ? 0.346 0.373 0.278 -0.028 -0.019 -0.015 470 THR EEE CG2 
2097 N  N   . GLU B 142 ? 0.411 0.351 0.096 -0.022 0.019  0.010  471 GLU EEE N   
2098 C  CA  . GLU B 142 ? 0.416 0.347 0.110 0.014  -0.016 0.034  471 GLU EEE CA  
2099 C  C   . GLU B 142 ? 0.378 0.310 0.106 0.015  0.007  0.015  471 GLU EEE C   
2100 O  O   . GLU B 142 ? 0.411 0.342 0.109 0.014  0.025  0.020  471 GLU EEE O   
2101 C  CB  . GLU B 142 ? 0.473 0.410 0.185 0.008  0.064  0.011  471 GLU EEE CB  
2102 C  CG  . GLU B 142 ? 0.617 0.562 0.235 0.058  0.028  0.120  471 GLU EEE CG  
2103 C  CD  . GLU B 142 ? 0.884 0.661 0.318 0.069  -0.015 -0.072 471 GLU EEE CD  
2104 O  OE1 . GLU B 142 ? 0.741 0.565 0.375 0.000  0.016  0.066  471 GLU EEE OE1 
2105 O  OE2 . GLU B 142 ? 0.879 0.767 0.693 0.045  0.037  0.200  471 GLU EEE OE2 
2106 N  N   . ILE B 143 ? 0.362 0.308 0.114 0.021  -0.001 0.022  472 ILE EEE N   
2107 C  CA  . ILE B 143 ? 0.369 0.322 0.119 0.039  0.009  0.015  472 ILE EEE CA  
2108 C  C   . ILE B 143 ? 0.361 0.363 0.126 0.058  0.011  0.008  472 ILE EEE C   
2109 O  O   . ILE B 143 ? 0.352 0.390 0.135 0.046  -0.006 -0.005 472 ILE EEE O   
2110 C  CB  . ILE B 143 ? 0.377 0.339 0.121 0.019  -0.006 0.008  472 ILE EEE CB  
2111 C  CG1 . ILE B 143 ? 0.399 0.364 0.116 -0.010 -0.023 0.019  472 ILE EEE CG1 
2112 C  CG2 . ILE B 143 ? 0.389 0.314 0.165 0.013  -0.008 0.046  472 ILE EEE CG2 
2113 C  CD1 . ILE B 143 ? 0.419 0.367 0.184 -0.005 -0.048 -0.002 472 ILE EEE CD1 
2114 N  N   . TYR B 144 ? 0.360 0.359 0.134 0.018  0.015  0.016  473 TYR EEE N   
2115 C  CA  . TYR B 144 ? 0.346 0.339 0.159 0.021  0.017  -0.023 473 TYR EEE CA  
2116 C  C   . TYR B 144 ? 0.370 0.343 0.159 0.018  -0.058 -0.033 473 TYR EEE C   
2117 O  O   . TYR B 144 ? 0.403 0.381 0.146 0.029  -0.027 -0.027 473 TYR EEE O   
2118 C  CB  . TYR B 144 ? 0.354 0.330 0.125 0.007  -0.018 -0.001 473 TYR EEE CB  
2119 C  CG  . TYR B 144 ? 0.383 0.346 0.148 0.018  -0.052 -0.010 473 TYR EEE CG  
2120 C  CD1 . TYR B 144 ? 0.346 0.411 0.160 0.030  -0.049 -0.018 473 TYR EEE CD1 
2121 C  CD2 . TYR B 144 ? 0.412 0.351 0.216 0.007  -0.035 0.039  473 TYR EEE CD2 
2122 C  CE1 . TYR B 144 ? 0.348 0.449 0.291 0.015  -0.118 0.030  473 TYR EEE CE1 
2123 C  CE2 . TYR B 144 ? 0.438 0.374 0.227 0.041  -0.057 0.014  473 TYR EEE CE2 
2124 C  CZ  . TYR B 144 ? 0.417 0.396 0.237 0.020  -0.117 -0.024 473 TYR EEE CZ  
2125 O  OH  . TYR B 144 ? 0.502 0.489 0.260 0.018  -0.178 -0.020 473 TYR EEE OH  
2126 N  N   . GLN B 145 ? 0.327 0.389 0.122 0.015  -0.012 0.016  474 GLN EEE N   
2127 C  CA  . GLN B 145 ? 0.320 0.397 0.127 0.037  0.001  -0.020 474 GLN EEE CA  
2128 C  C   . GLN B 145 ? 0.314 0.432 0.143 0.005  -0.015 -0.002 474 GLN EEE C   
2129 O  O   . GLN B 145 ? 0.320 0.437 0.176 -0.006 0.009  0.026  474 GLN EEE O   
2130 C  CB  . GLN B 145 ? 0.361 0.449 0.150 0.068  0.025  -0.007 474 GLN EEE CB  
2131 C  CG  . GLN B 145 ? 0.398 0.430 0.196 0.050  0.049  0.026  474 GLN EEE CG  
2132 C  CD  . GLN B 145 ? 0.362 0.453 0.231 0.103  0.034  0.021  474 GLN EEE CD  
2133 O  OE1 . GLN B 145 ? 0.461 0.480 0.226 0.062  0.036  0.021  474 GLN EEE OE1 
2134 N  NE2 . GLN B 145 ? 0.365 0.542 0.292 0.126  0.001  -0.023 474 GLN EEE NE2 
2135 N  N   . ALA B 146 ? 0.343 0.369 0.139 -0.005 -0.049 0.021  475 ALA EEE N   
2136 C  CA  . ALA B 146 ? 0.327 0.440 0.140 0.010  -0.046 0.008  475 ALA EEE CA  
2137 C  C   . ALA B 146 ? 0.331 0.454 0.176 0.009  -0.075 -0.020 475 ALA EEE C   
2138 O  O   . ALA B 146 ? 0.396 0.517 0.192 0.003  -0.098 -0.025 475 ALA EEE O   
2139 C  CB  . ALA B 146 ? 0.402 0.410 0.130 0.019  -0.001 -0.008 475 ALA EEE CB  
2140 N  N   . GLY B 147 ? 0.432 0.432 0.184 0.066  -0.074 0.007  476 GLY EEE N   
2141 C  CA  . GLY B 147 ? 0.441 0.500 0.265 0.113  -0.019 0.025  476 GLY EEE CA  
2142 C  C   . GLY B 147 ? 0.392 0.445 0.295 0.101  -0.009 0.032  476 GLY EEE C   
2143 O  O   . GLY B 147 ? 0.467 0.492 0.275 0.042  0.013  0.046  476 GLY EEE O   
2144 N  N   . SER B 148 ? 0.413 0.466 0.304 0.124  -0.059 -0.022 477 SER EEE N   
2145 C  CA  . SER B 148 ? 0.416 0.503 0.360 0.102  -0.020 -0.032 477 SER EEE CA  
2146 C  C   . SER B 148 ? 0.389 0.553 0.298 0.108  -0.010 0.015  477 SER EEE C   
2147 O  O   . SER B 148 ? 0.454 0.554 0.345 0.085  0.048  -0.046 477 SER EEE O   
2148 C  CB  . SER B 148 ? 0.461 0.486 0.431 0.098  -0.065 -0.015 477 SER EEE CB  
2149 O  OG  . SER B 148 ? 0.486 0.501 0.430 0.064  -0.144 -0.001 477 SER EEE OG  
2150 N  N   . THR B 149 ? 0.411 0.491 0.276 0.079  -0.061 0.036  478 THR EEE N   
2151 C  CA  . THR B 149 ? 0.401 0.461 0.312 0.076  -0.053 0.009  478 THR EEE CA  
2152 C  C   . THR B 149 ? 0.395 0.478 0.244 0.112  -0.015 -0.012 478 THR EEE C   
2153 O  O   . THR B 149 ? 0.370 0.437 0.193 0.081  -0.016 -0.001 478 THR EEE O   
2154 C  CB  . THR B 149 ? 0.456 0.424 0.359 0.066  -0.082 0.059  478 THR EEE CB  
2155 O  OG1 . THR B 149 ? 0.519 0.437 0.463 0.114  -0.133 0.048  478 THR EEE OG1 
2156 C  CG2 . THR B 149 ? 0.518 0.481 0.426 0.030  -0.042 -0.036 478 THR EEE CG2 
2157 N  N   . PRO B 150 ? 0.392 0.549 0.249 0.113  0.003  -0.015 479 PRO EEE N   
2158 C  CA  . PRO B 150 ? 0.414 0.512 0.201 0.106  0.026  -0.029 479 PRO EEE CA  
2159 C  C   . PRO B 150 ? 0.429 0.420 0.167 0.053  0.012  -0.032 479 PRO EEE C   
2160 O  O   . PRO B 150 ? 0.427 0.422 0.222 0.047  0.026  -0.047 479 PRO EEE O   
2161 C  CB  . PRO B 150 ? 0.411 0.627 0.260 0.085  0.102  -0.052 479 PRO EEE CB  
2162 C  CG  . PRO B 150 ? 0.456 0.694 0.297 0.103  0.032  0.001  479 PRO EEE CG  
2163 C  CD  . PRO B 150 ? 0.438 0.554 0.334 0.131  0.052  0.006  479 PRO EEE CD  
2164 N  N   . CYS B 151 ? 0.397 0.447 0.144 0.053  0.020  -0.037 480 CYS EEE N   
2165 C  CA  . CYS B 151 ? 0.388 0.444 0.144 0.050  -0.023 -0.016 480 CYS EEE CA  
2166 C  C   . CYS B 151 ? 0.378 0.464 0.141 0.039  -0.015 -0.019 480 CYS EEE C   
2167 O  O   . CYS B 151 ? 0.379 0.426 0.113 0.050  0.009  -0.052 480 CYS EEE O   
2168 C  CB  . CYS B 151 ? 0.399 0.438 0.131 0.059  -0.020 -0.001 480 CYS EEE CB  
2169 S  SG  . CYS B 151 ? 0.421 0.466 0.143 -0.005 -0.009 -0.022 480 CYS EEE SG  
2170 N  N   . ASN B 152 ? 0.358 0.509 0.143 0.039  -0.016 -0.037 481 ASN EEE N   
2171 C  CA  . ASN B 152 ? 0.428 0.517 0.156 0.042  -0.017 -0.110 481 ASN EEE CA  
2172 C  C   . ASN B 152 ? 0.416 0.421 0.141 0.020  0.014  -0.054 481 ASN EEE C   
2173 O  O   . ASN B 152 ? 0.435 0.433 0.136 0.039  -0.018 -0.066 481 ASN EEE O   
2174 C  CB  . ASN B 152 ? 0.492 0.555 0.205 0.114  -0.004 -0.141 481 ASN EEE CB  
2175 C  CG  . ASN B 152 ? 0.471 0.555 0.337 0.073  -0.000 -0.064 481 ASN EEE CG  
2176 O  OD1 . ASN B 152 ? 0.515 0.642 0.341 0.028  0.042  -0.104 481 ASN EEE OD1 
2177 N  ND2 . ASN B 152 ? 0.565 0.543 0.493 0.120  -0.014 -0.058 481 ASN EEE ND2 
2178 N  N   . GLY B 153 ? 0.410 0.417 0.104 0.039  0.017  -0.020 482 GLY EEE N   
2179 C  CA  . GLY B 153 ? 0.413 0.398 0.078 0.032  0.022  0.012  482 GLY EEE CA  
2180 C  C   . GLY B 153 ? 0.369 0.359 0.106 0.021  -0.005 0.002  482 GLY EEE C   
2181 O  O   . GLY B 153 ? 0.363 0.364 0.081 0.031  0.015  -0.038 482 GLY EEE O   
2182 N  N   . VAL B 154 ? 0.349 0.353 0.077 0.024  0.009  -0.017 483 VAL EEE N   
2183 C  CA  . VAL B 154 ? 0.347 0.371 0.079 -0.006 -0.004 -0.025 483 VAL EEE CA  
2184 C  C   . VAL B 154 ? 0.358 0.362 0.092 0.017  -0.012 -0.048 483 VAL EEE C   
2185 O  O   . VAL B 154 ? 0.352 0.403 0.105 0.031  0.006  -0.015 483 VAL EEE O   
2186 C  CB  . VAL B 154 ? 0.387 0.366 0.129 0.006  0.009  -0.022 483 VAL EEE CB  
2187 C  CG1 . VAL B 154 ? 0.384 0.355 0.093 -0.006 -0.018 -0.020 483 VAL EEE CG1 
2188 C  CG2 . VAL B 154 ? 0.424 0.362 0.127 0.024  0.006  -0.020 483 VAL EEE CG2 
2189 N  N   . GLU B 155 ? 0.336 0.377 0.103 0.012  -0.016 -0.038 484 GLU EEE N   
2190 C  CA  . GLU B 155 ? 0.361 0.331 0.088 0.027  -0.050 0.008  484 GLU EEE CA  
2191 C  C   . GLU B 155 ? 0.316 0.361 0.122 0.006  -0.015 0.032  484 GLU EEE C   
2192 O  O   . GLU B 155 ? 0.349 0.350 0.129 -0.012 0.019  0.026  484 GLU EEE O   
2193 C  CB  . GLU B 155 ? 0.339 0.319 0.088 -0.005 -0.014 -0.024 484 GLU EEE CB  
2194 C  CG  . GLU B 155 ? 0.365 0.348 0.053 0.030  -0.031 0.022  484 GLU EEE CG  
2195 C  CD  . GLU B 155 ? 0.373 0.346 0.068 0.027  0.010  0.023  484 GLU EEE CD  
2196 O  OE1 . GLU B 155 ? 0.376 0.364 0.070 0.012  0.013  0.025  484 GLU EEE OE1 
2197 O  OE2 . GLU B 155 ? 0.359 0.341 0.045 0.018  0.004  0.011  484 GLU EEE OE2 
2198 N  N   . GLY B 156 ? 0.333 0.320 0.129 -0.009 -0.032 0.012  485 GLY EEE N   
2199 C  CA  . GLY B 156 ? 0.343 0.327 0.082 0.005  -0.008 -0.005 485 GLY EEE CA  
2200 C  C   . GLY B 156 ? 0.332 0.343 0.128 0.031  -0.042 0.041  485 GLY EEE C   
2201 O  O   . GLY B 156 ? 0.352 0.340 0.106 0.025  -0.017 0.054  485 GLY EEE O   
2202 N  N   . PHE B 157 ? 0.365 0.316 0.202 0.015  -0.059 0.042  486 PHE EEE N   
2203 C  CA  . PHE B 157 ? 0.361 0.414 0.194 0.009  -0.056 0.070  486 PHE EEE CA  
2204 C  C   . PHE B 157 ? 0.355 0.385 0.187 0.042  -0.015 0.051  486 PHE EEE C   
2205 O  O   . PHE B 157 ? 0.322 0.391 0.256 0.040  0.042  0.044  486 PHE EEE O   
2206 C  CB  . PHE B 157 ? 0.401 0.418 0.350 -0.008 -0.073 0.119  486 PHE EEE CB  
2207 C  CG  . PHE B 157 ? 0.485 0.457 0.235 0.069  -0.043 0.028  486 PHE EEE CG  
2208 C  CD1 . PHE B 157 ? 0.437 0.583 0.225 0.079  -0.086 0.001  486 PHE EEE CD1 
2209 C  CD2 . PHE B 157 ? 0.488 0.519 0.361 0.062  -0.041 0.032  486 PHE EEE CD2 
2210 C  CE1 . PHE B 157 ? 0.495 0.571 0.182 0.005  -0.089 0.099  486 PHE EEE CE1 
2211 C  CE2 . PHE B 157 ? 0.452 0.581 0.282 0.080  0.006  0.047  486 PHE EEE CE2 
2212 C  CZ  . PHE B 157 ? 0.550 0.608 0.223 0.108  -0.029 0.079  486 PHE EEE CZ  
2213 N  N   . ASN B 158 ? 0.367 0.379 0.144 0.021  -0.001 0.076  487 ASN EEE N   
2214 C  CA  . ASN B 158 ? 0.367 0.369 0.173 0.013  -0.040 0.091  487 ASN EEE CA  
2215 C  C   . ASN B 158 ? 0.342 0.367 0.128 0.042  -0.036 0.045  487 ASN EEE C   
2216 O  O   . ASN B 158 ? 0.362 0.393 0.127 0.005  -0.023 -0.006 487 ASN EEE O   
2217 C  CB  . ASN B 158 ? 0.377 0.425 0.184 0.036  -0.056 0.103  487 ASN EEE CB  
2218 C  CG  . ASN B 158 ? 0.453 0.554 0.199 0.037  -0.088 0.061  487 ASN EEE CG  
2219 O  OD1 . ASN B 158 ? 0.417 0.671 0.136 -0.018 -0.051 0.057  487 ASN EEE OD1 
2220 N  ND2 . ASN B 158 ? 0.536 0.553 0.338 0.071  -0.042 0.146  487 ASN EEE ND2 
2221 N  N   . CYS B 159 ? 0.341 0.340 0.095 0.040  -0.023 0.032  488 CYS EEE N   
2222 C  CA  . CYS B 159 ? 0.398 0.311 0.108 0.039  -0.018 0.057  488 CYS EEE CA  
2223 C  C   . CYS B 159 ? 0.377 0.326 0.073 0.023  -0.012 0.036  488 CYS EEE C   
2224 O  O   . CYS B 159 ? 0.356 0.343 0.073 0.030  0.022  -0.008 488 CYS EEE O   
2225 C  CB  . CYS B 159 ? 0.375 0.354 0.100 0.020  -0.013 0.043  488 CYS EEE CB  
2226 S  SG  . CYS B 159 ? 0.403 0.408 0.112 0.055  -0.013 0.002  488 CYS EEE SG  
2227 N  N   . TYR B 160 ? 0.337 0.338 0.062 0.004  -0.028 0.024  489 TYR EEE N   
2228 C  CA  A TYR B 160 ? 0.359 0.338 0.057 0.009  -0.028 0.010  489 TYR EEE CA  
2229 C  CA  B TYR B 160 ? 0.349 0.336 0.056 0.007  -0.040 0.006  489 TYR EEE CA  
2230 C  C   . TYR B 160 ? 0.325 0.341 0.048 0.009  -0.021 0.010  489 TYR EEE C   
2231 O  O   . TYR B 160 ? 0.343 0.376 0.111 0.012  0.011  0.037  489 TYR EEE O   
2232 C  CB  A TYR B 160 ? 0.348 0.332 0.052 0.012  -0.007 0.006  489 TYR EEE CB  
2233 C  CB  B TYR B 160 ? 0.324 0.311 0.056 0.010  -0.029 0.004  489 TYR EEE CB  
2234 C  CG  A TYR B 160 ? 0.371 0.311 0.091 0.038  0.024  0.017  489 TYR EEE CG  
2235 C  CG  B TYR B 160 ? 0.321 0.296 0.060 0.021  -0.038 -0.005 489 TYR EEE CG  
2236 C  CD1 A TYR B 160 ? 0.393 0.297 0.148 0.039  0.007  0.024  489 TYR EEE CD1 
2237 C  CD1 B TYR B 160 ? 0.306 0.302 0.078 0.035  -0.027 0.008  489 TYR EEE CD1 
2238 C  CD2 A TYR B 160 ? 0.370 0.330 0.103 0.025  0.022  0.038  489 TYR EEE CD2 
2239 C  CD2 B TYR B 160 ? 0.330 0.310 0.089 0.037  -0.043 0.008  489 TYR EEE CD2 
2240 C  CE1 A TYR B 160 ? 0.505 0.372 0.077 0.042  0.030  0.018  489 TYR EEE CE1 
2241 C  CE1 B TYR B 160 ? 0.335 0.328 0.062 0.035  -0.028 0.004  489 TYR EEE CE1 
2242 C  CE2 A TYR B 160 ? 0.445 0.376 0.096 0.060  0.035  0.031  489 TYR EEE CE2 
2243 C  CE2 B TYR B 160 ? 0.351 0.352 0.073 0.018  -0.039 0.018  489 TYR EEE CE2 
2244 C  CZ  A TYR B 160 ? 0.467 0.380 0.103 0.046  0.048  0.034  489 TYR EEE CZ  
2245 C  CZ  B TYR B 160 ? 0.330 0.353 0.072 0.027  -0.036 0.001  489 TYR EEE CZ  
2246 O  OH  A TYR B 160 ? 0.625 0.478 0.116 0.123  0.068  0.051  489 TYR EEE OH  
2247 O  OH  B TYR B 160 ? 0.332 0.385 0.081 -0.026 -0.054 0.029  489 TYR EEE OH  
2248 N  N   . PHE B 161 ? 0.323 0.319 0.047 0.004  0.003  0.004  490 PHE EEE N   
2249 C  CA  . PHE B 161 ? 0.343 0.292 0.059 0.009  0.013  -0.019 490 PHE EEE CA  
2250 C  C   . PHE B 161 ? 0.355 0.310 0.071 -0.022 -0.015 -0.005 490 PHE EEE C   
2251 O  O   . PHE B 161 ? 0.366 0.368 0.068 0.031  -0.022 0.006  490 PHE EEE O   
2252 C  CB  . PHE B 161 ? 0.339 0.306 0.045 -0.002 0.015  0.019  490 PHE EEE CB  
2253 C  CG  . PHE B 161 ? 0.359 0.311 0.069 0.017  0.035  0.034  490 PHE EEE CG  
2254 C  CD1 . PHE B 161 ? 0.344 0.339 0.057 0.023  0.002  0.021  490 PHE EEE CD1 
2255 C  CD2 . PHE B 161 ? 0.344 0.323 0.046 0.016  0.026  0.024  490 PHE EEE CD2 
2256 C  CE1 . PHE B 161 ? 0.361 0.308 0.060 -0.009 -0.046 0.007  490 PHE EEE CE1 
2257 C  CE2 . PHE B 161 ? 0.366 0.303 0.101 0.033  0.006  0.032  490 PHE EEE CE2 
2258 C  CZ  . PHE B 161 ? 0.353 0.333 0.097 0.018  0.006  0.024  490 PHE EEE CZ  
2259 N  N   . PRO B 162 ? 0.314 0.341 0.050 -0.013 0.002  0.007  491 PRO EEE N   
2260 C  CA  . PRO B 162 ? 0.333 0.313 0.076 -0.015 -0.012 0.017  491 PRO EEE CA  
2261 C  C   . PRO B 162 ? 0.316 0.327 0.065 -0.029 0.009  0.027  491 PRO EEE C   
2262 O  O   . PRO B 162 ? 0.358 0.361 0.089 -0.016 -0.010 -0.008 491 PRO EEE O   
2263 C  CB  . PRO B 162 ? 0.312 0.338 0.102 -0.035 -0.006 -0.017 491 PRO EEE CB  
2264 C  CG  . PRO B 162 ? 0.309 0.365 0.101 -0.005 -0.006 0.020  491 PRO EEE CG  
2265 C  CD  . PRO B 162 ? 0.349 0.342 0.073 0.003  0.047  0.026  491 PRO EEE CD  
2266 N  N   . LEU B 163 ? 0.324 0.330 0.022 -0.011 -0.001 -0.005 492 LEU EEE N   
2267 C  CA  . LEU B 163 ? 0.342 0.311 0.069 0.002  0.021  0.033  492 LEU EEE CA  
2268 C  C   . LEU B 163 ? 0.328 0.285 0.084 0.003  0.019  0.020  492 LEU EEE C   
2269 O  O   . LEU B 163 ? 0.349 0.302 0.038 -0.002 -0.006 0.005  492 LEU EEE O   
2270 C  CB  . LEU B 163 ? 0.330 0.320 0.089 0.017  -0.003 0.021  492 LEU EEE CB  
2271 C  CG  . LEU B 163 ? 0.335 0.327 0.089 0.005  0.011  0.005  492 LEU EEE CG  
2272 C  CD1 . LEU B 163 ? 0.399 0.358 0.118 0.021  -0.014 0.022  492 LEU EEE CD1 
2273 C  CD2 . LEU B 163 ? 0.345 0.365 0.105 -0.014 -0.008 0.029  492 LEU EEE CD2 
2274 N  N   . GLN B 164 ? 0.341 0.312 0.063 -0.004 -0.025 -0.010 493 GLN EEE N   
2275 C  CA  . GLN B 164 ? 0.315 0.317 0.104 -0.010 -0.027 0.014  493 GLN EEE CA  
2276 C  C   . GLN B 164 ? 0.336 0.316 0.031 -0.005 -0.003 0.039  493 GLN EEE C   
2277 O  O   . GLN B 164 ? 0.333 0.330 0.074 -0.019 0.003  0.019  493 GLN EEE O   
2278 C  CB  . GLN B 164 ? 0.333 0.346 0.065 -0.005 -0.001 0.010  493 GLN EEE CB  
2279 C  CG  . GLN B 164 ? 0.337 0.329 0.073 0.014  0.011  0.018  493 GLN EEE CG  
2280 C  CD  . GLN B 164 ? 0.353 0.310 0.061 0.027  -0.005 0.030  493 GLN EEE CD  
2281 O  OE1 . GLN B 164 ? 0.399 0.322 0.048 0.009  0.006  -0.009 493 GLN EEE OE1 
2282 N  NE2 . GLN B 164 ? 0.346 0.349 0.101 -0.015 0.004  -0.042 493 GLN EEE NE2 
2283 N  N   . SER B 165 ? 0.333 0.342 0.105 0.002  -0.013 0.005  494 SER EEE N   
2284 C  CA  . SER B 165 ? 0.336 0.333 0.115 0.002  0.013  0.014  494 SER EEE CA  
2285 C  C   . SER B 165 ? 0.391 0.337 0.120 0.007  -0.005 -0.011 494 SER EEE C   
2286 O  O   . SER B 165 ? 0.430 0.349 0.054 -0.005 0.024  -0.033 494 SER EEE O   
2287 C  CB  . SER B 165 ? 0.374 0.431 0.099 -0.062 -0.013 0.047  494 SER EEE CB  
2288 O  OG  . SER B 165 ? 0.426 0.376 0.227 -0.005 0.015  -0.000 494 SER EEE OG  
2289 N  N   . TYR B 166 ? 0.368 0.324 0.078 -0.016 0.024  0.007  495 TYR EEE N   
2290 C  CA  . TYR B 166 ? 0.359 0.355 0.094 0.008  0.020  -0.027 495 TYR EEE CA  
2291 C  C   . TYR B 166 ? 0.355 0.319 0.119 0.022  0.018  0.050  495 TYR EEE C   
2292 O  O   . TYR B 166 ? 0.385 0.362 0.122 -0.042 0.056  0.031  495 TYR EEE O   
2293 C  CB  . TYR B 166 ? 0.357 0.345 0.082 0.001  0.024  0.003  495 TYR EEE CB  
2294 C  CG  . TYR B 166 ? 0.347 0.344 0.086 0.004  0.035  0.009  495 TYR EEE CG  
2295 C  CD1 . TYR B 166 ? 0.371 0.344 0.075 -0.028 0.033  0.024  495 TYR EEE CD1 
2296 C  CD2 . TYR B 166 ? 0.329 0.336 0.058 0.016  0.002  0.015  495 TYR EEE CD2 
2297 C  CE1 . TYR B 166 ? 0.363 0.365 0.046 -0.021 0.035  0.003  495 TYR EEE CE1 
2298 C  CE2 . TYR B 166 ? 0.352 0.347 0.077 -0.013 0.017  0.001  495 TYR EEE CE2 
2299 C  CZ  . TYR B 166 ? 0.346 0.347 0.058 -0.011 0.035  0.009  495 TYR EEE CZ  
2300 O  OH  . TYR B 166 ? 0.360 0.386 0.055 -0.030 0.038  -0.004 495 TYR EEE OH  
2301 N  N   . GLY B 167 ? 0.360 0.323 0.092 -0.002 0.011  0.023  496 GLY EEE N   
2302 C  CA  . GLY B 167 ? 0.361 0.343 0.160 0.012  0.034  -0.033 496 GLY EEE CA  
2303 C  C   . GLY B 167 ? 0.361 0.324 0.136 -0.014 0.022  -0.034 496 GLY EEE C   
2304 O  O   . GLY B 167 ? 0.407 0.363 0.202 -0.033 0.083  -0.052 496 GLY EEE O   
2305 N  N   . PHE B 168 ? 0.372 0.324 0.131 -0.005 0.061  -0.056 497 PHE EEE N   
2306 C  CA  . PHE B 168 ? 0.370 0.335 0.142 -0.003 0.031  -0.061 497 PHE EEE CA  
2307 C  C   . PHE B 168 ? 0.378 0.369 0.161 -0.017 0.052  -0.017 497 PHE EEE C   
2308 O  O   . PHE B 168 ? 0.376 0.354 0.180 0.016  0.053  -0.038 497 PHE EEE O   
2309 C  CB  . PHE B 168 ? 0.374 0.351 0.138 -0.023 0.020  -0.057 497 PHE EEE CB  
2310 C  CG  . PHE B 168 ? 0.374 0.360 0.099 -0.039 0.038  -0.024 497 PHE EEE CG  
2311 C  CD1 . PHE B 168 ? 0.361 0.357 0.096 -0.001 0.036  -0.015 497 PHE EEE CD1 
2312 C  CD2 . PHE B 168 ? 0.349 0.343 0.103 -0.017 0.057  -0.014 497 PHE EEE CD2 
2313 C  CE1 . PHE B 168 ? 0.361 0.373 0.087 -0.015 0.009  -0.022 497 PHE EEE CE1 
2314 C  CE2 . PHE B 168 ? 0.341 0.378 0.093 -0.003 0.018  -0.031 497 PHE EEE CE2 
2315 C  CZ  . PHE B 168 ? 0.360 0.362 0.095 -0.007 0.015  -0.010 497 PHE EEE CZ  
2316 N  N   . GLN B 169 ? 0.410 0.390 0.170 -0.028 0.073  -0.019 498 GLN EEE N   
2317 C  CA  . GLN B 169 ? 0.400 0.350 0.213 -0.022 0.053  -0.049 498 GLN EEE CA  
2318 C  C   . GLN B 169 ? 0.457 0.325 0.233 0.003  0.098  -0.054 498 GLN EEE C   
2319 O  O   . GLN B 169 ? 0.486 0.397 0.181 -0.042 0.120  -0.023 498 GLN EEE O   
2320 C  CB  . GLN B 169 ? 0.422 0.357 0.270 -0.048 0.043  -0.056 498 GLN EEE CB  
2321 C  CG  . GLN B 169 ? 0.432 0.415 0.249 -0.052 0.035  -0.073 498 GLN EEE CG  
2322 C  CD  . GLN B 169 ? 0.421 0.412 0.276 0.002  0.028  -0.011 498 GLN EEE CD  
2323 O  OE1 . GLN B 169 ? 0.467 0.515 0.374 -0.052 0.092  0.048  498 GLN EEE OE1 
2324 N  NE2 . GLN B 169 ? 0.568 0.421 0.323 -0.012 0.092  -0.055 498 GLN EEE NE2 
2325 N  N   . PRO B 170 ? 0.419 0.371 0.248 -0.008 0.114  -0.055 499 PRO EEE N   
2326 C  CA  . PRO B 170 ? 0.468 0.392 0.240 -0.004 0.130  -0.063 499 PRO EEE CA  
2327 C  C   . PRO B 170 ? 0.483 0.363 0.262 -0.042 0.132  -0.025 499 PRO EEE C   
2328 O  O   . PRO B 170 ? 0.568 0.474 0.230 -0.060 0.149  -0.037 499 PRO EEE O   
2329 C  CB  . PRO B 170 ? 0.448 0.446 0.295 -0.009 0.126  -0.060 499 PRO EEE CB  
2330 C  CG  . PRO B 170 ? 0.427 0.408 0.401 -0.005 0.115  -0.054 499 PRO EEE CG  
2331 C  CD  . PRO B 170 ? 0.403 0.457 0.285 -0.038 0.115  -0.056 499 PRO EEE CD  
2332 N  N   . THR B 171 ? 0.439 0.364 0.259 -0.027 0.131  -0.015 500 THR EEE N   
2333 C  CA  . THR B 171 ? 0.511 0.401 0.303 -0.036 0.127  0.033  500 THR EEE CA  
2334 C  C   . THR B 171 ? 0.470 0.369 0.224 -0.075 0.133  0.007  500 THR EEE C   
2335 O  O   . THR B 171 ? 0.525 0.452 0.304 -0.050 0.137  0.099  500 THR EEE O   
2336 C  CB  . THR B 171 ? 0.528 0.455 0.334 -0.073 0.096  -0.007 500 THR EEE CB  
2337 O  OG1 . THR B 171 ? 0.562 0.393 0.337 -0.077 0.047  0.012  500 THR EEE OG1 
2338 C  CG2 . THR B 171 ? 0.537 0.561 0.334 -0.047 0.175  0.011  500 THR EEE CG2 
2339 N  N   . TYR B 172 ? 0.438 0.392 0.196 -0.045 0.107  -0.002 501 TYR EEE N   
2340 C  CA  . TYR B 172 ? 0.444 0.371 0.198 -0.056 0.084  0.003  501 TYR EEE CA  
2341 C  C   . TYR B 172 ? 0.471 0.378 0.202 -0.059 0.097  -0.014 501 TYR EEE C   
2342 O  O   . TYR B 172 ? 0.489 0.376 0.197 -0.048 0.105  -0.001 501 TYR EEE O   
2343 C  CB  . TYR B 172 ? 0.425 0.361 0.152 -0.030 0.053  -0.025 501 TYR EEE CB  
2344 C  CG  . TYR B 172 ? 0.465 0.377 0.224 0.003  -0.000 -0.073 501 TYR EEE CG  
2345 C  CD1 . TYR B 172 ? 0.464 0.363 0.264 0.019  0.018  -0.050 501 TYR EEE CD1 
2346 C  CD2 . TYR B 172 ? 0.434 0.436 0.224 0.014  -0.025 -0.061 501 TYR EEE CD2 
2347 C  CE1 . TYR B 172 ? 0.522 0.361 0.337 0.012  -0.037 -0.070 501 TYR EEE CE1 
2348 C  CE2 . TYR B 172 ? 0.594 0.417 0.227 0.011  -0.024 -0.053 501 TYR EEE CE2 
2349 C  CZ  . TYR B 172 ? 0.518 0.413 0.250 0.039  -0.100 -0.040 501 TYR EEE CZ  
2350 O  OH  . TYR B 172 ? 0.711 0.392 0.387 0.035  -0.172 -0.082 501 TYR EEE OH  
2351 N  N   . GLY B 173 ? 0.497 0.398 0.205 -0.037 0.098  -0.006 502 GLY EEE N   
2352 C  CA  . GLY B 173 ? 0.484 0.439 0.245 -0.055 0.100  -0.031 502 GLY EEE CA  
2353 C  C   . GLY B 173 ? 0.525 0.400 0.151 -0.047 0.103  -0.060 502 GLY EEE C   
2354 O  O   . GLY B 173 ? 0.450 0.426 0.142 -0.040 0.079  -0.062 502 GLY EEE O   
2355 N  N   . VAL B 174 ? 0.517 0.408 0.140 -0.023 0.081  -0.068 503 VAL EEE N   
2356 C  CA  . VAL B 174 ? 0.504 0.406 0.148 -0.035 0.071  -0.080 503 VAL EEE CA  
2357 C  C   . VAL B 174 ? 0.481 0.370 0.143 -0.061 0.088  -0.009 503 VAL EEE C   
2358 O  O   . VAL B 174 ? 0.501 0.366 0.119 -0.055 0.080  -0.015 503 VAL EEE O   
2359 C  CB  . VAL B 174 ? 0.534 0.437 0.143 -0.061 0.063  -0.085 503 VAL EEE CB  
2360 C  CG1 . VAL B 174 ? 0.590 0.498 0.205 -0.037 0.026  -0.047 503 VAL EEE CG1 
2361 C  CG2 . VAL B 174 ? 0.535 0.421 0.241 -0.057 0.050  -0.068 503 VAL EEE CG2 
2362 N  N   . GLY B 175 ? 0.513 0.382 0.106 -0.044 0.061  -0.025 504 GLY EEE N   
2363 C  CA  . GLY B 175 ? 0.485 0.427 0.093 -0.037 0.027  -0.026 504 GLY EEE CA  
2364 C  C   . GLY B 175 ? 0.468 0.377 0.088 -0.011 0.049  -0.026 504 GLY EEE C   
2365 O  O   . GLY B 175 ? 0.432 0.452 0.052 -0.010 0.015  0.005  504 GLY EEE O   
2366 N  N   . TYR B 176 ? 0.469 0.366 0.071 -0.019 0.055  -0.030 505 TYR EEE N   
2367 C  CA  . TYR B 176 ? 0.426 0.376 0.079 -0.004 0.057  -0.042 505 TYR EEE CA  
2368 C  C   . TYR B 176 ? 0.458 0.326 0.150 -0.012 0.070  -0.013 505 TYR EEE C   
2369 O  O   . TYR B 176 ? 0.440 0.375 0.155 0.004  0.052  -0.013 505 TYR EEE O   
2370 C  CB  . TYR B 176 ? 0.436 0.382 0.133 -0.002 0.058  -0.011 505 TYR EEE CB  
2371 C  CG  . TYR B 176 ? 0.463 0.362 0.130 0.001  0.073  -0.001 505 TYR EEE CG  
2372 C  CD1 . TYR B 176 ? 0.458 0.348 0.087 0.002  0.075  0.037  505 TYR EEE CD1 
2373 C  CD2 . TYR B 176 ? 0.477 0.429 0.145 -0.007 0.058  0.028  505 TYR EEE CD2 
2374 C  CE1 . TYR B 176 ? 0.468 0.375 0.147 0.008  0.060  0.063  505 TYR EEE CE1 
2375 C  CE2 . TYR B 176 ? 0.466 0.433 0.187 0.014  0.026  -0.047 505 TYR EEE CE2 
2376 C  CZ  . TYR B 176 ? 0.514 0.381 0.136 0.040  0.052  0.031  505 TYR EEE CZ  
2377 O  OH  . TYR B 176 ? 0.485 0.423 0.246 0.036  -0.006 0.037  505 TYR EEE OH  
2378 N  N   . GLN B 177 ? 0.449 0.341 0.113 -0.013 0.066  -0.024 506 GLN EEE N   
2379 C  CA  . GLN B 177 ? 0.437 0.331 0.092 -0.037 0.058  -0.025 506 GLN EEE CA  
2380 C  C   . GLN B 177 ? 0.392 0.328 0.142 -0.010 0.078  -0.020 506 GLN EEE C   
2381 O  O   . GLN B 177 ? 0.397 0.352 0.091 -0.036 0.070  0.003  506 GLN EEE O   
2382 C  CB  . GLN B 177 ? 0.400 0.339 0.150 -0.039 0.051  -0.055 506 GLN EEE CB  
2383 C  CG  . GLN B 177 ? 0.436 0.377 0.190 -0.054 0.083  -0.057 506 GLN EEE CG  
2384 C  CD  . GLN B 177 ? 0.445 0.388 0.154 -0.061 0.136  -0.027 506 GLN EEE CD  
2385 O  OE1 . GLN B 177 ? 0.479 0.387 0.177 -0.058 0.119  -0.052 506 GLN EEE OE1 
2386 N  NE2 . GLN B 177 ? 0.561 0.396 0.165 -0.054 0.188  -0.026 506 GLN EEE NE2 
2387 N  N   . PRO B 178 ? 0.386 0.331 0.130 -0.013 0.080  -0.024 507 PRO EEE N   
2388 C  CA  . PRO B 178 ? 0.347 0.357 0.142 -0.012 0.045  0.018  507 PRO EEE CA  
2389 C  C   . PRO B 178 ? 0.350 0.364 0.123 0.012  0.031  -0.011 507 PRO EEE C   
2390 O  O   . PRO B 178 ? 0.400 0.343 0.099 0.006  0.031  -0.021 507 PRO EEE O   
2391 C  CB  . PRO B 178 ? 0.359 0.389 0.140 -0.007 0.035  -0.007 507 PRO EEE CB  
2392 C  CG  . PRO B 178 ? 0.381 0.343 0.153 -0.032 0.065  -0.008 507 PRO EEE CG  
2393 C  CD  . PRO B 178 ? 0.375 0.361 0.150 -0.020 0.109  0.001  507 PRO EEE CD  
2394 N  N   . TYR B 179 ? 0.363 0.375 0.070 -0.010 0.030  -0.033 508 TYR EEE N   
2395 C  CA  . TYR B 179 ? 0.387 0.375 0.106 -0.029 0.061  -0.034 508 TYR EEE CA  
2396 C  C   . TYR B 179 ? 0.381 0.346 0.101 -0.032 0.048  -0.037 508 TYR EEE C   
2397 O  O   . TYR B 179 ? 0.421 0.361 0.075 0.005  0.062  -0.004 508 TYR EEE O   
2398 C  CB  . TYR B 179 ? 0.394 0.372 0.082 -0.044 0.068  -0.030 508 TYR EEE CB  
2399 C  CG  . TYR B 179 ? 0.405 0.397 0.102 -0.041 0.090  -0.065 508 TYR EEE CG  
2400 C  CD1 . TYR B 179 ? 0.389 0.393 0.148 -0.051 0.080  -0.082 508 TYR EEE CD1 
2401 C  CD2 . TYR B 179 ? 0.473 0.358 0.131 -0.044 0.112  -0.052 508 TYR EEE CD2 
2402 C  CE1 . TYR B 179 ? 0.413 0.382 0.130 -0.026 0.069  -0.059 508 TYR EEE CE1 
2403 C  CE2 . TYR B 179 ? 0.474 0.394 0.120 -0.040 0.099  -0.049 508 TYR EEE CE2 
2404 C  CZ  . TYR B 179 ? 0.461 0.398 0.106 -0.056 0.040  -0.041 508 TYR EEE CZ  
2405 O  OH  . TYR B 179 ? 0.510 0.445 0.138 -0.043 0.091  -0.056 508 TYR EEE OH  
2406 N  N   . ARG B 180 ? 0.409 0.343 0.119 -0.038 0.077  -0.036 509 ARG EEE N   
2407 C  CA  . ARG B 180 ? 0.385 0.319 0.097 -0.022 0.080  -0.055 509 ARG EEE CA  
2408 C  C   . ARG B 180 ? 0.379 0.347 0.098 -0.024 0.070  -0.025 509 ARG EEE C   
2409 O  O   . ARG B 180 ? 0.429 0.341 0.138 -0.054 0.028  -0.049 509 ARG EEE O   
2410 C  CB  . ARG B 180 ? 0.406 0.327 0.139 -0.021 0.061  -0.025 509 ARG EEE CB  
2411 C  CG  . ARG B 180 ? 0.379 0.318 0.174 -0.018 0.060  -0.008 509 ARG EEE CG  
2412 C  CD  . ARG B 180 ? 0.420 0.329 0.173 0.003  0.037  0.002  509 ARG EEE CD  
2413 N  NE  . ARG B 180 ? 0.405 0.341 0.198 0.009  0.025  0.005  509 ARG EEE NE  
2414 C  CZ  . ARG B 180 ? 0.331 0.338 0.278 0.030  0.012  -0.010 509 ARG EEE CZ  
2415 N  NH1 . ARG B 180 ? 0.405 0.343 0.313 0.018  -0.005 0.002  509 ARG EEE NH1 
2416 N  NH2 . ARG B 180 ? 0.394 0.345 0.202 0.011  -0.013 0.023  509 ARG EEE NH2 
2417 N  N   . VAL B 181 ? 0.380 0.366 0.074 -0.031 0.055  -0.062 510 VAL EEE N   
2418 C  CA  . VAL B 181 ? 0.397 0.338 0.057 -0.056 0.052  -0.044 510 VAL EEE CA  
2419 C  C   . VAL B 181 ? 0.400 0.333 0.070 -0.061 0.030  -0.031 510 VAL EEE C   
2420 O  O   . VAL B 181 ? 0.385 0.346 0.106 -0.042 -0.011 -0.066 510 VAL EEE O   
2421 C  CB  . VAL B 181 ? 0.422 0.329 0.093 -0.053 0.044  -0.038 510 VAL EEE CB  
2422 C  CG1 . VAL B 181 ? 0.411 0.348 0.109 -0.032 0.029  -0.005 510 VAL EEE CG1 
2423 C  CG2 . VAL B 181 ? 0.431 0.365 0.099 -0.080 0.053  -0.034 510 VAL EEE CG2 
2424 N  N   . VAL B 182 ? 0.377 0.335 0.060 -0.052 0.040  -0.045 511 VAL EEE N   
2425 C  CA  . VAL B 182 ? 0.403 0.327 0.091 -0.069 0.037  -0.034 511 VAL EEE CA  
2426 C  C   . VAL B 182 ? 0.414 0.380 0.063 -0.040 0.018  -0.016 511 VAL EEE C   
2427 O  O   . VAL B 182 ? 0.426 0.392 0.098 -0.055 0.007  -0.071 511 VAL EEE O   
2428 C  CB  . VAL B 182 ? 0.412 0.344 0.120 -0.045 0.035  -0.037 511 VAL EEE CB  
2429 C  CG1 . VAL B 182 ? 0.425 0.371 0.153 -0.054 0.041  -0.019 511 VAL EEE CG1 
2430 C  CG2 . VAL B 182 ? 0.414 0.337 0.171 -0.021 0.010  -0.009 511 VAL EEE CG2 
2431 N  N   . VAL B 183 ? 0.391 0.358 0.097 -0.074 0.024  -0.042 512 VAL EEE N   
2432 C  CA  . VAL B 183 ? 0.395 0.358 0.110 -0.084 0.015  -0.019 512 VAL EEE CA  
2433 C  C   . VAL B 183 ? 0.426 0.368 0.115 -0.102 0.029  -0.023 512 VAL EEE C   
2434 O  O   . VAL B 183 ? 0.426 0.379 0.126 -0.053 -0.011 -0.026 512 VAL EEE O   
2435 C  CB  . VAL B 183 ? 0.433 0.344 0.108 -0.082 -0.006 -0.035 512 VAL EEE CB  
2436 C  CG1 . VAL B 183 ? 0.420 0.356 0.167 -0.080 0.015  -0.010 512 VAL EEE CG1 
2437 C  CG2 . VAL B 183 ? 0.400 0.366 0.088 -0.075 0.013  -0.040 512 VAL EEE CG2 
2438 N  N   . LEU B 184 ? 0.382 0.372 0.110 -0.088 0.030  -0.032 513 LEU EEE N   
2439 C  CA  . LEU B 184 ? 0.411 0.357 0.104 -0.094 0.012  -0.032 513 LEU EEE CA  
2440 C  C   . LEU B 184 ? 0.407 0.421 0.130 -0.082 -0.015 -0.013 513 LEU EEE C   
2441 O  O   . LEU B 184 ? 0.413 0.430 0.129 -0.088 -0.011 0.004  513 LEU EEE O   
2442 C  CB  . LEU B 184 ? 0.461 0.357 0.104 -0.082 0.002  -0.032 513 LEU EEE CB  
2443 C  CG  . LEU B 184 ? 0.451 0.363 0.134 -0.076 -0.021 -0.032 513 LEU EEE CG  
2444 C  CD1 . LEU B 184 ? 0.493 0.382 0.153 -0.066 0.060  -0.045 513 LEU EEE CD1 
2445 C  CD2 . LEU B 184 ? 0.424 0.386 0.145 -0.049 -0.019 -0.022 513 LEU EEE CD2 
2446 N  N   . SER B 185 ? 0.403 0.421 0.127 -0.065 -0.016 -0.022 514 SER EEE N   
2447 C  CA  . SER B 185 ? 0.399 0.404 0.152 -0.098 -0.024 -0.046 514 SER EEE CA  
2448 C  C   . SER B 185 ? 0.450 0.424 0.120 -0.112 0.007  -0.067 514 SER EEE C   
2449 O  O   . SER B 185 ? 0.423 0.457 0.133 -0.093 0.038  -0.027 514 SER EEE O   
2450 C  CB  . SER B 185 ? 0.381 0.426 0.188 -0.101 0.013  -0.070 514 SER EEE CB  
2451 O  OG  . SER B 185 ? 0.391 0.443 0.207 -0.059 -0.026 -0.037 514 SER EEE OG  
2452 N  N   . PHE B 186 ? 0.454 0.435 0.131 -0.124 0.025  -0.060 515 PHE EEE N   
2453 C  CA  . PHE B 186 ? 0.465 0.467 0.153 -0.140 0.008  -0.018 515 PHE EEE CA  
2454 C  C   . PHE B 186 ? 0.541 0.509 0.195 -0.123 0.072  0.040  515 PHE EEE C   
2455 O  O   . PHE B 186 ? 0.589 0.566 0.202 -0.088 0.078  0.042  515 PHE EEE O   
2456 C  CB  . PHE B 186 ? 0.493 0.501 0.157 -0.134 0.005  -0.054 515 PHE EEE CB  
2457 C  CG  . PHE B 186 ? 0.479 0.441 0.154 -0.118 -0.007 -0.043 515 PHE EEE CG  
2458 C  CD1 . PHE B 186 ? 0.507 0.451 0.183 -0.094 0.014  -0.059 515 PHE EEE CD1 
2459 C  CD2 . PHE B 186 ? 0.534 0.434 0.145 -0.096 0.045  -0.060 515 PHE EEE CD2 
2460 C  CE1 . PHE B 186 ? 0.499 0.457 0.144 -0.088 -0.001 -0.028 515 PHE EEE CE1 
2461 C  CE2 . PHE B 186 ? 0.536 0.425 0.197 -0.063 0.069  -0.003 515 PHE EEE CE2 
2462 C  CZ  . PHE B 186 ? 0.501 0.421 0.146 -0.083 0.006  -0.043 515 PHE EEE CZ  
2463 N  N   . GLU B 187 ? 0.626 0.502 0.242 0.035  0.124  -0.124 516 GLU EEE N   
2464 C  CA  . GLU B 187 ? 0.588 0.501 0.237 0.021  0.106  -0.133 516 GLU EEE CA  
2465 C  C   . GLU B 187 ? 0.564 0.515 0.231 -0.003 0.073  -0.146 516 GLU EEE C   
2466 O  O   . GLU B 187 ? 0.546 0.521 0.233 -0.018 0.070  -0.138 516 GLU EEE O   
2467 C  CB  . GLU B 187 ? 0.567 0.503 0.249 -0.025 0.126  -0.135 516 GLU EEE CB  
2468 C  CG  . GLU B 187 ? 0.537 0.514 0.244 -0.044 0.109  -0.138 516 GLU EEE CG  
2469 C  CD  . GLU B 187 ? 0.537 0.586 0.260 -0.109 0.140  -0.165 516 GLU EEE CD  
2470 O  OE1 . GLU B 187 ? 0.550 0.615 0.260 -0.152 0.128  -0.166 516 GLU EEE OE1 
2471 O  OE2 . GLU B 187 ? 0.628 0.579 0.280 -0.159 0.169  -0.172 516 GLU EEE OE2 
2472 N  N   . LEU B 188 ? 0.555 0.531 0.240 0.011  0.043  -0.148 517 LEU EEE N   
2473 C  CA  A LEU B 188 ? 0.519 0.537 0.272 0.005  0.019  -0.153 517 LEU EEE CA  
2474 C  CA  B LEU B 188 ? 0.523 0.537 0.270 0.002  0.018  -0.155 517 LEU EEE CA  
2475 C  C   . LEU B 188 ? 0.483 0.526 0.281 -0.006 0.018  -0.147 517 LEU EEE C   
2476 O  O   . LEU B 188 ? 0.489 0.610 0.300 0.041  0.030  -0.112 517 LEU EEE O   
2477 C  CB  A LEU B 188 ? 0.558 0.607 0.318 0.020  -0.018 -0.180 517 LEU EEE CB  
2478 C  CB  B LEU B 188 ? 0.572 0.596 0.305 0.010  -0.020 -0.177 517 LEU EEE CB  
2479 C  CG  A LEU B 188 ? 0.556 0.618 0.398 0.006  -0.019 -0.227 517 LEU EEE CG  
2480 C  CG  B LEU B 188 ? 0.587 0.635 0.320 0.019  -0.008 -0.198 517 LEU EEE CG  
2481 C  CD1 A LEU B 188 ? 0.560 0.602 0.435 0.002  0.002  -0.195 517 LEU EEE CD1 
2482 C  CD1 B LEU B 188 ? 0.629 0.742 0.364 0.034  -0.047 -0.244 517 LEU EEE CD1 
2483 C  CD2 A LEU B 188 ? 0.583 0.723 0.435 0.027  -0.044 -0.290 517 LEU EEE CD2 
2484 C  CD2 B LEU B 188 ? 0.582 0.601 0.378 -0.011 0.012  -0.198 517 LEU EEE CD2 
2485 N  N   . LEU B 189 ? 0.455 0.476 0.278 -0.013 0.040  -0.155 518 LEU EEE N   
2486 C  CA  . LEU B 189 ? 0.435 0.470 0.288 -0.026 0.043  -0.153 518 LEU EEE CA  
2487 C  C   . LEU B 189 ? 0.437 0.465 0.332 -0.026 0.068  -0.178 518 LEU EEE C   
2488 O  O   . LEU B 189 ? 0.468 0.479 0.354 -0.036 0.086  -0.189 518 LEU EEE O   
2489 C  CB  . LEU B 189 ? 0.428 0.470 0.264 -0.037 0.055  -0.133 518 LEU EEE CB  
2490 C  CG  . LEU B 189 ? 0.433 0.487 0.240 -0.050 0.058  -0.133 518 LEU EEE CG  
2491 C  CD1 . LEU B 189 ? 0.422 0.518 0.234 -0.056 0.069  -0.134 518 LEU EEE CD1 
2492 C  CD2 . LEU B 189 ? 0.445 0.486 0.250 -0.048 0.062  -0.130 518 LEU EEE CD2 
2493 N  N   . HIS B 190 ? 0.430 0.453 0.350 -0.035 0.079  -0.187 519 HIS EEE N   
2494 C  CA  . HIS B 190 ? 0.460 0.451 0.416 -0.049 0.118  -0.196 519 HIS EEE CA  
2495 C  C   . HIS B 190 ? 0.482 0.441 0.414 -0.023 0.149  -0.145 519 HIS EEE C   
2496 O  O   . HIS B 190 ? 0.486 0.470 0.413 -0.022 0.157  -0.111 519 HIS EEE O   
2497 C  CB  . HIS B 190 ? 0.450 0.449 0.441 -0.062 0.121  -0.217 519 HIS EEE CB  
2498 C  CG  . HIS B 190 ? 0.541 0.471 0.536 -0.118 0.160  -0.232 519 HIS EEE CG  
2499 N  ND1 . HIS B 190 ? 0.534 0.448 0.558 -0.068 0.239  -0.217 519 HIS EEE ND1 
2500 C  CD2 . HIS B 190 ? 0.608 0.513 0.643 -0.163 0.142  -0.288 519 HIS EEE CD2 
2501 C  CE1 . HIS B 190 ? 0.595 0.475 0.660 -0.106 0.298  -0.248 519 HIS EEE CE1 
2502 N  NE2 . HIS B 190 ? 0.568 0.489 0.697 -0.131 0.278  -0.326 519 HIS EEE NE2 
2503 N  N   . ALA B 191 ? 0.501 0.447 0.408 -0.008 0.159  -0.131 520 ALA EEE N   
2504 C  CA  . ALA B 191 ? 0.529 0.473 0.400 0.032  0.185  -0.085 520 ALA EEE CA  
2505 C  C   . ALA B 191 ? 0.562 0.477 0.449 0.043  0.204  -0.096 520 ALA EEE C   
2506 O  O   . ALA B 191 ? 0.546 0.492 0.470 0.027  0.172  -0.114 520 ALA EEE O   
2507 C  CB  . ALA B 191 ? 0.490 0.498 0.327 0.044  0.151  -0.079 520 ALA EEE CB  
2508 N  N   . PRO B 192 ? 0.632 0.514 0.517 0.079  0.215  -0.043 521 PRO EEE N   
2509 C  CA  . PRO B 192 ? 0.676 0.518 0.580 0.103  0.215  -0.070 521 PRO EEE CA  
2510 C  C   . PRO B 192 ? 0.631 0.527 0.530 0.068  0.168  -0.102 521 PRO EEE C   
2511 O  O   . PRO B 192 ? 0.620 0.540 0.636 0.096  0.040  -0.111 521 PRO EEE O   
2512 C  CB  . PRO B 192 ? 0.737 0.600 0.603 0.173  0.247  -0.007 521 PRO EEE CB  
2513 C  CG  . PRO B 192 ? 0.774 0.606 0.628 0.187  0.283  0.025  521 PRO EEE CG  
2514 C  CD  . PRO B 192 ? 0.678 0.576 0.529 0.131  0.241  0.007  521 PRO EEE CD  
2515 N  N   . ALA B 193 ? 0.680 0.536 0.564 0.026  0.163  -0.139 522 ALA EEE N   
2516 C  CA  . ALA B 193 ? 0.677 0.559 0.533 -0.015 0.141  -0.162 522 ALA EEE CA  
2517 C  C   . ALA B 193 ? 0.742 0.508 0.542 0.041  0.152  -0.148 522 ALA EEE C   
2518 O  O   . ALA B 193 ? 0.992 0.568 0.462 -0.051 0.128  -0.120 522 ALA EEE O   
2519 C  CB  . ALA B 193 ? 0.748 0.658 0.581 -0.120 0.096  -0.159 522 ALA EEE CB  
2520 N  N   . THR B 194 ? 0.721 0.543 0.460 0.041  0.159  -0.088 523 THR EEE N   
2521 C  CA  . THR B 194 ? 0.718 0.641 0.457 0.059  0.246  -0.030 523 THR EEE CA  
2522 C  C   . THR B 194 ? 0.701 0.630 0.397 0.051  0.213  -0.053 523 THR EEE C   
2523 O  O   . THR B 194 ? 0.765 0.685 0.511 0.128  0.252  0.067  523 THR EEE O   
2524 C  CB  . THR B 194 ? 0.804 0.837 0.451 0.126  0.230  -0.062 523 THR EEE CB  
2525 O  OG1 . THR B 194 ? 0.792 0.890 0.452 0.064  0.184  -0.166 523 THR EEE OG1 
2526 C  CG2 . THR B 194 ? 0.839 0.879 0.620 0.089  0.261  0.083  523 THR EEE CG2 
2527 N  N   . VAL B 195 ? 0.649 0.590 0.361 0.028  0.208  -0.104 524 VAL EEE N   
2528 C  CA  . VAL B 195 ? 0.642 0.590 0.303 0.023  0.185  -0.113 524 VAL EEE CA  
2529 C  C   . VAL B 195 ? 0.662 0.562 0.325 0.014  0.186  -0.132 524 VAL EEE C   
2530 O  O   . VAL B 195 ? 0.665 0.583 0.275 -0.023 0.140  -0.142 524 VAL EEE O   
2531 C  CB  . VAL B 195 ? 0.664 0.624 0.336 -0.021 0.171  -0.089 524 VAL EEE CB  
2532 C  CG1 . VAL B 195 ? 0.656 0.643 0.344 -0.024 0.171  -0.102 524 VAL EEE CG1 
2533 C  CG2 . VAL B 195 ? 0.692 0.697 0.337 -0.060 0.138  -0.067 524 VAL EEE CG2 
2534 N  N   . CYS B 196 ? 0.683 0.563 0.316 0.031  0.186  -0.119 525 CYS EEE N   
2535 C  CA  . CYS B 196 ? 0.718 0.537 0.349 0.031  0.192  -0.150 525 CYS EEE CA  
2536 C  C   . CYS B 196 ? 0.733 0.543 0.328 0.045  0.172  -0.124 525 CYS EEE C   
2537 O  O   . CYS B 196 ? 0.734 0.548 0.299 0.064  0.192  -0.108 525 CYS EEE O   
2538 C  CB  . CYS B 196 ? 0.769 0.534 0.411 0.028  0.234  -0.149 525 CYS EEE CB  
2539 S  SG  . CYS B 196 ? 0.820 0.567 0.494 -0.021 0.271  -0.131 525 CYS EEE SG  
2540 N  N   . GLY B 197 ? 0.735 0.560 0.351 0.047  0.143  -0.146 526 GLY EEE N   
2541 C  CA  . GLY B 197 ? 0.757 0.567 0.338 0.069  0.137  -0.139 526 GLY EEE CA  
2542 C  C   . GLY B 197 ? 0.780 0.570 0.399 0.067  0.156  -0.132 526 GLY EEE C   
2543 O  O   . GLY B 197 ? 0.836 0.585 0.436 0.021  0.157  -0.127 526 GLY EEE O   
2544 N  N   . PRO B 198 ? 0.806 0.590 0.386 0.075  0.163  -0.130 527 PRO EEE N   
2545 C  CA  . PRO B 198 ? 0.842 0.587 0.451 0.080  0.205  -0.104 527 PRO EEE CA  
2546 C  C   . PRO B 198 ? 0.888 0.613 0.532 0.047  0.223  -0.154 527 PRO EEE C   
2547 O  O   . PRO B 198 ? 0.956 0.619 0.621 0.025  0.242  -0.134 527 PRO EEE O   
2548 C  CB  . PRO B 198 ? 0.839 0.605 0.454 0.105  0.205  -0.092 527 PRO EEE CB  
2549 C  CG  . PRO B 198 ? 0.817 0.609 0.407 0.106  0.175  -0.089 527 PRO EEE CG  
2550 C  CD  . PRO B 198 ? 0.804 0.597 0.364 0.096  0.145  -0.116 527 PRO EEE CD  
2551 N  N   . LYS B 199 ? 0.879 0.660 0.582 0.038  0.183  -0.185 528 LYS EEE N   
2552 C  CA  . LYS B 199 ? 0.927 0.746 0.698 0.007  0.165  -0.272 528 LYS EEE CA  
2553 C  C   . LYS B 199 ? 0.936 0.740 0.757 -0.018 0.205  -0.309 528 LYS EEE C   
2554 O  O   . LYS B 199 ? 1.014 0.807 0.934 -0.094 0.185  -0.347 528 LYS EEE O   
2555 C  CB  . LYS B 199 ? 0.974 0.854 0.673 0.047  0.106  -0.331 528 LYS EEE CB  
2556 C  CG  . LYS B 199 ? 1.043 0.894 0.665 0.107  0.111  -0.332 528 LYS EEE CG  
2557 C  CD  . LYS B 199 ? 1.154 0.967 0.801 0.054  0.099  -0.410 528 LYS EEE CD  
2558 C  CE  . LYS B 199 ? 1.201 1.017 0.800 0.095  0.120  -0.375 528 LYS EEE CE  
2559 N  NZ  . LYS B 199 ? 1.306 1.087 0.930 0.016  0.129  -0.450 528 LYS EEE NZ  
2560 N  N   . LYS B 200 ? 0.914 0.705 0.718 0.014  0.171  -0.277 529 LYS EEE N   
2561 C  CA  . LYS B 200 ? 0.936 0.749 0.780 -0.015 0.218  -0.323 529 LYS EEE CA  
2562 C  C   . LYS B 200 ? 1.027 0.799 0.780 -0.003 0.221  -0.262 529 LYS EEE C   
2563 O  O   . LYS B 200 ? 1.159 0.935 0.907 0.006  0.198  -0.449 529 LYS EEE O   
2564 C  CB  . LYS B 200 ? 0.946 0.750 0.714 -0.008 0.138  -0.349 529 LYS EEE CB  
2565 C  CG  . LYS B 200 ? 0.915 0.795 0.804 -0.028 0.148  -0.345 529 LYS EEE CG  
2566 C  CD  . LYS B 200 ? 0.999 0.867 0.953 -0.088 0.143  -0.439 529 LYS EEE CD  
2567 C  CE  . LYS B 200 ? 0.993 1.047 1.019 -0.034 0.090  -0.463 529 LYS EEE CE  
2568 N  NZ  . LYS B 200 ? 1.023 1.165 1.204 -0.101 0.133  -0.568 529 LYS EEE NZ  
2569 N  N   . SER B 201 ? 1.140 0.853 0.903 0.085  0.159  -0.230 530 SER EEE N   
2570 C  CA  . SER B 201 ? 1.172 0.898 0.964 0.061  0.148  -0.135 530 SER EEE CA  
2571 C  C   . SER B 201 ? 1.257 0.863 1.139 0.188  0.190  -0.164 530 SER EEE C   
2572 O  O   . SER B 201 ? 1.256 0.978 1.266 0.346  0.291  -0.175 530 SER EEE O   
2573 C  CB  . SER B 201 ? 1.190 0.910 0.875 0.024  0.117  -0.068 530 SER EEE CB  
2574 O  OG  . SER B 201 ? 1.144 0.969 0.634 -0.037 0.124  -0.150 530 SER EEE OG  
2575 N  N   . GLN C 3   ? 0.830 0.619 0.512 0.052  -0.124 -0.139 1   GLN FFF N   
2576 C  CA  . GLN C 3   ? 0.782 0.587 0.476 0.057  -0.047 -0.098 1   GLN FFF CA  
2577 C  C   . GLN C 3   ? 0.709 0.512 0.477 0.092  -0.041 -0.086 1   GLN FFF C   
2578 O  O   . GLN C 3   ? 0.730 0.598 0.530 0.050  -0.077 0.004  1   GLN FFF O   
2579 C  CB  . GLN C 3   ? 0.817 0.721 0.572 0.040  0.014  -0.026 1   GLN FFF CB  
2580 C  CG  . GLN C 3   ? 0.801 0.767 0.684 -0.041 -0.071 0.007  1   GLN FFF CG  
2581 C  CD  . GLN C 3   ? 0.929 1.064 0.760 -0.161 0.041  -0.049 1   GLN FFF CD  
2582 O  OE1 . GLN C 3   ? 1.116 1.103 0.609 -0.295 -0.161 0.226  1   GLN FFF OE1 
2583 N  NE2 . GLN C 3   ? 1.081 1.214 0.913 -0.167 0.243  -0.198 1   GLN FFF NE2 
2584 N  N   . VAL C 4   ? 0.681 0.532 0.327 0.041  -0.035 -0.131 2   VAL FFF N   
2585 C  CA  . VAL C 4   ? 0.557 0.470 0.328 0.021  0.006  -0.085 2   VAL FFF CA  
2586 C  C   . VAL C 4   ? 0.463 0.502 0.253 0.020  -0.036 -0.048 2   VAL FFF C   
2587 O  O   . VAL C 4   ? 0.506 0.553 0.210 -0.017 -0.035 -0.067 2   VAL FFF O   
2588 C  CB  . VAL C 4   ? 0.547 0.646 0.441 -0.084 0.064  -0.160 2   VAL FFF CB  
2589 C  CG1 . VAL C 4   ? 0.658 0.777 0.372 -0.060 -0.004 0.043  2   VAL FFF CG1 
2590 C  CG2 . VAL C 4   ? 0.645 0.650 0.509 -0.084 -0.051 -0.127 2   VAL FFF CG2 
2591 N  N   . GLN C 5   ? 0.431 0.445 0.250 0.027  -0.078 0.010  3   GLN FFF N   
2592 C  CA  . GLN C 5   ? 0.363 0.434 0.236 0.053  -0.078 0.010  3   GLN FFF CA  
2593 C  C   . GLN C 5   ? 0.365 0.390 0.190 0.023  -0.044 0.016  3   GLN FFF C   
2594 O  O   . GLN C 5   ? 0.421 0.443 0.229 0.035  -0.003 0.051  3   GLN FFF O   
2595 C  CB  . GLN C 5   ? 0.404 0.457 0.233 0.048  -0.061 0.028  3   GLN FFF CB  
2596 C  CG  . GLN C 5   ? 0.398 0.473 0.227 0.041  -0.081 0.029  3   GLN FFF CG  
2597 C  CD  . GLN C 5   ? 0.439 0.530 0.287 0.003  -0.133 0.063  3   GLN FFF CD  
2598 O  OE1 . GLN C 5   ? 0.619 0.571 0.330 0.055  -0.151 0.074  3   GLN FFF OE1 
2599 N  NE2 . GLN C 5   ? 0.545 0.498 0.260 0.047  -0.098 0.013  3   GLN FFF NE2 
2600 N  N   . LEU C 6   ? 0.375 0.395 0.127 0.023  -0.036 -0.006 4   LEU FFF N   
2601 C  CA  . LEU C 6   ? 0.341 0.382 0.098 0.007  -0.040 0.017  4   LEU FFF CA  
2602 C  C   . LEU C 6   ? 0.350 0.405 0.102 -0.002 0.007  -0.032 4   LEU FFF C   
2603 O  O   . LEU C 6   ? 0.353 0.431 0.100 -0.016 -0.003 -0.027 4   LEU FFF O   
2604 C  CB  . LEU C 6   ? 0.380 0.411 0.086 0.009  -0.024 0.004  4   LEU FFF CB  
2605 C  CG  . LEU C 6   ? 0.415 0.443 0.112 -0.016 -0.088 0.025  4   LEU FFF CG  
2606 C  CD1 . LEU C 6   ? 0.423 0.387 0.124 -0.017 -0.085 0.034  4   LEU FFF CD1 
2607 C  CD2 . LEU C 6   ? 0.420 0.512 0.122 -0.043 -0.066 -0.010 4   LEU FFF CD2 
2608 N  N   . VAL C 7   ? 0.334 0.387 0.086 -0.018 0.000  0.003  5   VAL FFF N   
2609 C  CA  . VAL C 7   ? 0.311 0.391 0.079 -0.027 -0.017 0.031  5   VAL FFF CA  
2610 C  C   . VAL C 7   ? 0.308 0.383 0.061 -0.036 -0.071 0.008  5   VAL FFF C   
2611 O  O   . VAL C 7   ? 0.327 0.373 0.061 -0.014 -0.046 0.016  5   VAL FFF O   
2612 C  CB  . VAL C 7   ? 0.347 0.426 0.092 -0.028 -0.010 0.038  5   VAL FFF CB  
2613 C  CG1 . VAL C 7   ? 0.394 0.441 0.089 -0.035 -0.013 0.023  5   VAL FFF CG1 
2614 C  CG2 . VAL C 7   ? 0.366 0.433 0.122 -0.014 -0.024 0.007  5   VAL FFF CG2 
2615 N  N   . GLU C 8   ? 0.303 0.389 0.090 -0.023 -0.021 0.002  6   GLU FFF N   
2616 C  CA  . GLU C 8   ? 0.327 0.374 0.080 -0.008 0.040  0.001  6   GLU FFF CA  
2617 C  C   . GLU C 8   ? 0.342 0.381 0.113 -0.013 0.002  0.006  6   GLU FFF C   
2618 O  O   . GLU C 8   ? 0.343 0.381 0.106 -0.023 -0.000 -0.033 6   GLU FFF O   
2619 C  CB  . GLU C 8   ? 0.341 0.402 0.082 -0.019 0.032  0.018  6   GLU FFF CB  
2620 C  CG  . GLU C 8   ? 0.363 0.403 0.126 -0.016 0.006  0.015  6   GLU FFF CG  
2621 C  CD  . GLU C 8   ? 0.413 0.393 0.104 -0.021 -0.019 -0.017 6   GLU FFF CD  
2622 O  OE1 . GLU C 8   ? 0.399 0.402 0.087 0.023  -0.019 -0.000 6   GLU FFF OE1 
2623 O  OE2 . GLU C 8   ? 0.429 0.390 0.123 -0.037 -0.025 -0.021 6   GLU FFF OE2 
2624 N  N   . SER C 9   ? 0.325 0.377 0.076 -0.012 -0.007 0.023  7   SER FFF N   
2625 C  CA  A SER C 9   ? 0.347 0.428 0.056 -0.025 -0.018 -0.000 7   SER FFF CA  
2626 C  CA  B SER C 9   ? 0.367 0.424 0.094 -0.024 -0.029 -0.006 7   SER FFF CA  
2627 C  C   . SER C 9   ? 0.369 0.398 0.080 -0.034 -0.010 -0.025 7   SER FFF C   
2628 O  O   . SER C 9   ? 0.367 0.370 0.111 -0.005 -0.022 -0.045 7   SER FFF O   
2629 C  CB  A SER C 9   ? 0.398 0.397 0.044 -0.014 -0.045 -0.023 7   SER FFF CB  
2630 C  CB  B SER C 9   ? 0.471 0.471 0.086 -0.004 -0.066 0.010  7   SER FFF CB  
2631 O  OG  A SER C 9   ? 0.409 0.398 0.043 -0.000 -0.025 -0.007 7   SER FFF OG  
2632 O  OG  B SER C 9   ? 0.563 0.507 0.190 -0.029 -0.075 -0.040 7   SER FFF OG  
2633 N  N   . GLY C 10  ? 0.409 0.406 0.090 -0.035 -0.028 -0.034 8   GLY FFF N   
2634 C  CA  . GLY C 10  ? 0.469 0.387 0.118 -0.040 -0.014 0.008  8   GLY FFF CA  
2635 C  C   . GLY C 10  ? 0.499 0.405 0.101 -0.028 -0.039 0.015  8   GLY FFF C   
2636 O  O   . GLY C 10  ? 0.425 0.636 0.194 -0.081 -0.006 0.058  8   GLY FFF O   
2637 N  N   . GLY C 11  ? 0.664 0.328 0.259 -0.056 -0.058 0.064  9   GLY FFF N   
2638 C  CA  . GLY C 11  ? 0.714 0.464 0.177 -0.146 0.022  -0.009 9   GLY FFF CA  
2639 C  C   . GLY C 11  ? 0.652 0.459 0.188 -0.112 -0.048 0.019  9   GLY FFF C   
2640 O  O   . GLY C 11  ? 0.841 0.560 0.206 -0.126 -0.002 -0.075 9   GLY FFF O   
2641 N  N   . GLY C 12  ? 0.574 0.410 0.214 -0.087 -0.047 0.000  10  GLY FFF N   
2642 C  CA  . GLY C 12  ? 0.607 0.419 0.241 -0.078 -0.129 0.010  10  GLY FFF CA  
2643 C  C   . GLY C 12  ? 0.564 0.387 0.314 -0.079 -0.138 -0.001 10  GLY FFF C   
2644 O  O   . GLY C 12  ? 0.539 0.409 0.243 -0.101 -0.062 0.009  10  GLY FFF O   
2645 N  N   . LEU C 13  ? 0.655 0.429 0.296 -0.102 -0.102 -0.041 11  LEU FFF N   
2646 C  CA  . LEU C 13  ? 0.654 0.415 0.412 -0.104 -0.088 -0.031 11  LEU FFF CA  
2647 C  C   . LEU C 13  ? 0.661 0.535 0.381 -0.074 -0.080 -0.013 11  LEU FFF C   
2648 O  O   . LEU C 13  ? 0.767 0.545 0.371 0.028  -0.104 -0.033 11  LEU FFF O   
2649 C  CB  . LEU C 13  ? 0.692 0.458 0.509 -0.144 -0.110 -0.043 11  LEU FFF CB  
2650 C  CG  . LEU C 13  ? 0.725 0.471 0.573 -0.153 -0.114 -0.014 11  LEU FFF CG  
2651 C  CD1 . LEU C 13  ? 0.706 0.460 0.568 -0.127 -0.060 0.021  11  LEU FFF CD1 
2652 C  CD2 . LEU C 13  ? 0.769 0.543 0.694 -0.229 -0.082 -0.054 11  LEU FFF CD2 
2653 N  N   . VAL C 14  ? 0.653 0.419 0.404 -0.113 -0.095 -0.039 12  VAL FFF N   
2654 C  CA  . VAL C 14  ? 0.697 0.478 0.478 -0.065 -0.092 -0.100 12  VAL FFF CA  
2655 C  C   . VAL C 14  ? 0.671 0.450 0.545 -0.049 -0.088 -0.097 12  VAL FFF C   
2656 O  O   . VAL C 14  ? 0.668 0.393 0.538 -0.052 -0.086 -0.068 12  VAL FFF O   
2657 C  CB  . VAL C 14  ? 0.686 0.528 0.505 -0.078 -0.072 -0.090 12  VAL FFF CB  
2658 C  CG1 . VAL C 14  ? 0.717 0.656 0.543 -0.165 -0.144 -0.132 12  VAL FFF CG1 
2659 C  CG2 . VAL C 14  ? 0.703 0.662 0.580 -0.054 -0.005 -0.013 12  VAL FFF CG2 
2660 N  N   . LYS C 15  ? 0.769 0.503 0.484 -0.008 -0.153 -0.178 13  LYS FFF N   
2661 C  CA  . LYS C 15  ? 0.847 0.455 0.538 -0.044 -0.129 -0.171 13  LYS FFF CA  
2662 C  C   . LYS C 15  ? 0.805 0.397 0.504 -0.011 -0.111 -0.120 13  LYS FFF C   
2663 O  O   . LYS C 15  ? 0.743 0.428 0.443 0.006  -0.129 -0.099 13  LYS FFF O   
2664 C  CB  . LYS C 15  ? 0.971 0.546 0.617 -0.027 -0.124 -0.249 13  LYS FFF CB  
2665 C  CG  . LYS C 15  ? 1.012 0.678 0.696 -0.055 -0.160 -0.298 13  LYS FFF CG  
2666 C  CD  . LYS C 15  ? 1.174 0.687 0.862 -0.073 -0.165 -0.335 13  LYS FFF CD  
2667 C  CE  . LYS C 15  ? 1.208 0.976 0.897 -0.096 -0.260 -0.330 13  LYS FFF CE  
2668 N  NZ  . LYS C 15  ? 1.306 1.184 0.866 -0.048 -0.175 -0.288 13  LYS FFF NZ  
2669 N  N   . THR C 16  ? 0.809 0.391 0.547 -0.037 -0.128 -0.075 14  THR FFF N   
2670 C  CA  . THR C 16  ? 0.828 0.373 0.505 -0.030 -0.122 -0.069 14  THR FFF CA  
2671 C  C   . THR C 16  ? 0.817 0.333 0.504 0.003  -0.136 -0.104 14  THR FFF C   
2672 O  O   . THR C 16  ? 0.859 0.348 0.533 -0.010 -0.144 -0.107 14  THR FFF O   
2673 C  CB  . THR C 16  ? 0.881 0.406 0.567 -0.038 -0.132 -0.020 14  THR FFF CB  
2674 O  OG1 . THR C 16  ? 0.955 0.479 0.584 -0.100 -0.053 0.028  14  THR FFF OG1 
2675 C  CG2 . THR C 16  ? 0.897 0.416 0.538 -0.031 -0.128 -0.021 14  THR FFF CG2 
2676 N  N   . GLY C 17  ? 0.757 0.356 0.453 0.022  -0.148 -0.071 15  GLY FFF N   
2677 C  CA  . GLY C 17  ? 0.770 0.376 0.447 0.046  -0.141 -0.097 15  GLY FFF CA  
2678 C  C   . GLY C 17  ? 0.732 0.367 0.439 0.051  -0.104 -0.096 15  GLY FFF C   
2679 O  O   . GLY C 17  ? 0.769 0.448 0.455 0.067  -0.038 -0.141 15  GLY FFF O   
2680 N  N   . GLY C 18  ? 0.714 0.405 0.401 0.021  -0.113 -0.094 16  GLY FFF N   
2681 C  CA  . GLY C 18  ? 0.669 0.442 0.380 0.008  -0.096 -0.089 16  GLY FFF CA  
2682 C  C   . GLY C 18  ? 0.607 0.440 0.319 0.017  -0.102 -0.095 16  GLY FFF C   
2683 O  O   . GLY C 18  ? 0.622 0.396 0.310 -0.030 -0.087 -0.069 16  GLY FFF O   
2684 N  N   . SER C 19  ? 0.596 0.453 0.293 0.009  -0.103 -0.108 17  SER FFF N   
2685 C  CA  . SER C 19  ? 0.547 0.447 0.250 0.032  -0.091 -0.092 17  SER FFF CA  
2686 C  C   . SER C 19  ? 0.495 0.410 0.230 -0.007 -0.081 -0.109 17  SER FFF C   
2687 O  O   . SER C 19  ? 0.605 0.420 0.252 -0.034 -0.111 -0.112 17  SER FFF O   
2688 C  CB  . SER C 19  ? 0.563 0.487 0.345 0.045  -0.041 -0.055 17  SER FFF CB  
2689 O  OG  . SER C 19  ? 0.640 0.584 0.305 0.113  -0.069 -0.083 17  SER FFF OG  
2690 N  N   . LEU C 20  ? 0.515 0.390 0.215 -0.012 -0.085 -0.079 18  LEU FFF N   
2691 C  CA  . LEU C 20  ? 0.503 0.398 0.205 0.006  -0.056 -0.101 18  LEU FFF CA  
2692 C  C   . LEU C 20  ? 0.425 0.407 0.148 0.014  -0.057 -0.075 18  LEU FFF C   
2693 O  O   . LEU C 20  ? 0.476 0.426 0.153 -0.009 -0.090 -0.053 18  LEU FFF O   
2694 C  CB  . LEU C 20  ? 0.546 0.491 0.212 -0.062 -0.020 -0.101 18  LEU FFF CB  
2695 C  CG  . LEU C 20  ? 0.596 0.668 0.372 -0.157 -0.067 -0.108 18  LEU FFF CG  
2696 C  CD1 . LEU C 20  ? 0.589 0.852 0.524 -0.104 0.007  -0.123 18  LEU FFF CD1 
2697 C  CD2 . LEU C 20  ? 0.570 0.877 0.378 -0.110 -0.110 -0.301 18  LEU FFF CD2 
2698 N  N   . ARG C 21  ? 0.446 0.405 0.163 0.012  -0.087 -0.077 19  ARG FFF N   
2699 C  CA  . ARG C 21  ? 0.432 0.399 0.133 0.028  -0.072 -0.059 19  ARG FFF CA  
2700 C  C   . ARG C 21  ? 0.462 0.407 0.222 0.046  -0.102 -0.128 19  ARG FFF C   
2701 O  O   . ARG C 21  ? 0.442 0.485 0.276 0.013  -0.112 -0.103 19  ARG FFF O   
2702 C  CB  . ARG C 21  ? 0.458 0.410 0.120 0.020  -0.067 -0.079 19  ARG FFF CB  
2703 C  CG  . ARG C 21  ? 0.423 0.404 0.168 0.028  -0.058 -0.060 19  ARG FFF CG  
2704 C  CD  . ARG C 21  ? 0.448 0.458 0.172 0.047  -0.025 -0.057 19  ARG FFF CD  
2705 N  NE  . ARG C 21  ? 0.455 0.453 0.179 0.049  -0.018 -0.038 19  ARG FFF NE  
2706 C  CZ  . ARG C 21  ? 0.366 0.520 0.183 0.011  -0.042 -0.019 19  ARG FFF CZ  
2707 N  NH1 . ARG C 21  ? 0.420 0.515 0.158 0.051  0.001  -0.039 19  ARG FFF NH1 
2708 N  NH2 . ARG C 21  ? 0.409 0.508 0.168 0.017  -0.052 0.022  19  ARG FFF NH2 
2709 N  N   . LEU C 22  ? 0.403 0.360 0.093 -0.013 -0.060 -0.016 20  LEU FFF N   
2710 C  CA  . LEU C 22  ? 0.401 0.358 0.075 -0.021 -0.048 -0.040 20  LEU FFF CA  
2711 C  C   . LEU C 22  ? 0.372 0.355 0.052 0.003  -0.027 -0.036 20  LEU FFF C   
2712 O  O   . LEU C 22  ? 0.374 0.332 0.144 0.004  -0.026 -0.020 20  LEU FFF O   
2713 C  CB  . LEU C 22  ? 0.372 0.341 0.087 -0.011 -0.030 -0.046 20  LEU FFF CB  
2714 C  CG  . LEU C 22  ? 0.449 0.380 0.121 -0.032 -0.001 -0.007 20  LEU FFF CG  
2715 C  CD1 . LEU C 22  ? 0.413 0.382 0.148 -0.011 0.030  -0.018 20  LEU FFF CD1 
2716 C  CD2 . LEU C 22  ? 0.456 0.370 0.274 -0.074 -0.012 0.015  20  LEU FFF CD2 
2717 N  N   . SER C 23  ? 0.354 0.372 0.050 0.003  -0.033 -0.040 21  SER FFF N   
2718 C  CA  . SER C 23  ? 0.362 0.386 0.049 0.009  -0.040 -0.006 21  SER FFF CA  
2719 C  C   . SER C 23  ? 0.347 0.386 0.050 -0.009 -0.041 -0.013 21  SER FFF C   
2720 O  O   . SER C 23  ? 0.355 0.360 0.059 -0.025 -0.024 -0.003 21  SER FFF O   
2721 C  CB  . SER C 23  ? 0.461 0.462 0.107 0.082  -0.034 0.076  21  SER FFF CB  
2722 O  OG  . SER C 23  ? 0.460 0.450 0.170 0.009  -0.023 0.021  21  SER FFF OG  
2723 N  N   . CYS C 24  ? 0.357 0.375 0.043 -0.009 -0.038 0.029  22  CYS FFF N   
2724 C  CA  . CYS C 24  ? 0.368 0.354 0.110 -0.003 -0.056 0.018  22  CYS FFF CA  
2725 C  C   . CYS C 24  ? 0.329 0.353 0.036 0.006  -0.017 -0.030 22  CYS FFF C   
2726 O  O   . CYS C 24  ? 0.331 0.373 0.077 -0.008 -0.022 0.000  22  CYS FFF O   
2727 C  CB  . CYS C 24  ? 0.380 0.370 0.086 0.008  -0.016 0.011  22  CYS FFF CB  
2728 S  SG  . CYS C 24  ? 0.450 0.420 0.104 0.005  0.042  -0.005 22  CYS FFF SG  
2729 N  N   . ALA C 25  ? 0.357 0.359 0.038 -0.013 -0.037 -0.007 23  ALA FFF N   
2730 C  CA  . ALA C 25  ? 0.340 0.371 0.041 -0.026 -0.025 -0.003 23  ALA FFF CA  
2731 C  C   . ALA C 25  ? 0.343 0.374 0.076 -0.000 -0.051 0.006  23  ALA FFF C   
2732 O  O   . ALA C 25  ? 0.376 0.387 0.075 0.013  -0.023 -0.028 23  ALA FFF O   
2733 C  CB  . ALA C 25  ? 0.372 0.386 0.054 0.001  -0.043 -0.029 23  ALA FFF CB  
2734 N  N   . ALA C 26  ? 0.372 0.391 0.059 -0.013 -0.021 0.013  24  ALA FFF N   
2735 C  CA  . ALA C 26  ? 0.375 0.363 0.119 -0.044 -0.043 -0.001 24  ALA FFF CA  
2736 C  C   . ALA C 26  ? 0.381 0.351 0.103 -0.025 -0.047 0.000  24  ALA FFF C   
2737 O  O   . ALA C 26  ? 0.394 0.345 0.109 -0.016 -0.006 -0.005 24  ALA FFF O   
2738 C  CB  . ALA C 26  ? 0.410 0.398 0.099 -0.016 -0.009 -0.010 24  ALA FFF CB  
2739 N  N   . SER C 27  ? 0.424 0.413 0.232 0.017  -0.037 0.055  25  SER FFF N   
2740 C  CA  . SER C 27  ? 0.437 0.394 0.285 -0.022 -0.031 0.062  25  SER FFF CA  
2741 C  C   . SER C 27  ? 0.392 0.494 0.211 -0.042 -0.042 0.129  25  SER FFF C   
2742 O  O   . SER C 27  ? 0.412 0.421 0.274 -0.035 0.018  0.062  25  SER FFF O   
2743 C  CB  . SER C 27  ? 0.442 0.439 0.346 0.011  -0.046 0.051  25  SER FFF CB  
2744 O  OG  . SER C 27  ? 0.483 0.498 0.322 0.036  -0.017 0.082  25  SER FFF OG  
2745 N  N   . GLY C 28  ? 0.459 0.512 0.138 -0.056 -0.034 0.114  26  GLY FFF N   
2746 C  CA  . GLY C 28  ? 0.461 0.534 0.183 -0.062 -0.084 0.123  26  GLY FFF CA  
2747 C  C   . GLY C 28  ? 0.421 0.441 0.159 -0.061 -0.063 0.084  26  GLY FFF C   
2748 O  O   . GLY C 28  ? 0.449 0.471 0.123 -0.006 -0.026 0.028  26  GLY FFF O   
2749 N  N   . ARG C 29  ? 0.441 0.442 0.178 -0.028 -0.095 0.074  27  ARG FFF N   
2750 C  CA  . ARG C 29  ? 0.444 0.422 0.155 -0.019 -0.083 0.092  27  ARG FFF CA  
2751 C  C   . ARG C 29  ? 0.400 0.375 0.140 -0.019 -0.051 0.035  27  ARG FFF C   
2752 O  O   . ARG C 29  ? 0.409 0.377 0.157 -0.054 -0.072 0.021  27  ARG FFF O   
2753 C  CB  . ARG C 29  ? 0.523 0.446 0.204 -0.059 -0.092 0.084  27  ARG FFF CB  
2754 C  CG  . ARG C 29  ? 0.615 0.551 0.276 -0.075 -0.048 0.175  27  ARG FFF CG  
2755 C  CD  . ARG C 29  ? 0.730 0.558 0.597 -0.108 -0.003 0.124  27  ARG FFF CD  
2756 N  NE  . ARG C 29  ? 0.822 0.978 0.572 -0.139 0.014  0.226  27  ARG FFF NE  
2757 C  CZ  . ARG C 29  ? 0.816 0.822 0.579 -0.216 -0.027 0.111  27  ARG FFF CZ  
2758 N  NH1 . ARG C 29  ? 0.840 0.654 0.584 -0.178 -0.052 0.168  27  ARG FFF NH1 
2759 N  NH2 . ARG C 29  ? 0.778 0.934 0.640 -0.157 -0.026 0.085  27  ARG FFF NH2 
2760 N  N   . THR C 30  ? 0.395 0.381 0.125 -0.013 -0.052 0.045  28  THR FFF N   
2761 C  CA  . THR C 30  ? 0.395 0.365 0.117 -0.011 -0.020 0.039  28  THR FFF CA  
2762 C  C   . THR C 30  ? 0.383 0.374 0.121 0.002  -0.045 -0.017 28  THR FFF C   
2763 O  O   . THR C 30  ? 0.400 0.343 0.102 -0.008 -0.022 0.005  28  THR FFF O   
2764 C  CB  . THR C 30  ? 0.409 0.343 0.124 -0.016 -0.022 -0.008 28  THR FFF CB  
2765 O  OG1 . THR C 30  ? 0.427 0.398 0.202 0.013  -0.031 0.024  28  THR FFF OG1 
2766 C  CG2 . THR C 30  ? 0.391 0.400 0.145 -0.026 -0.022 0.022  28  THR FFF CG2 
2767 N  N   . PHE C 31  ? 0.364 0.349 0.081 -0.002 -0.043 0.013  29  PHE FFF N   
2768 C  CA  . PHE C 31  ? 0.401 0.341 0.063 0.015  -0.025 0.013  29  PHE FFF CA  
2769 C  C   . PHE C 31  ? 0.384 0.362 0.114 0.019  -0.027 0.066  29  PHE FFF C   
2770 O  O   . PHE C 31  ? 0.394 0.402 0.100 0.030  -0.034 0.056  29  PHE FFF O   
2771 C  CB  . PHE C 31  ? 0.402 0.343 0.046 -0.010 -0.034 0.019  29  PHE FFF CB  
2772 C  CG  . PHE C 31  ? 0.372 0.370 0.048 -0.009 -0.034 -0.019 29  PHE FFF CG  
2773 C  CD1 . PHE C 31  ? 0.370 0.380 0.043 0.005  -0.025 -0.024 29  PHE FFF CD1 
2774 C  CD2 . PHE C 31  ? 0.366 0.383 0.061 -0.005 -0.065 -0.018 29  PHE FFF CD2 
2775 C  CE1 . PHE C 31  ? 0.389 0.345 0.079 -0.013 -0.071 -0.061 29  PHE FFF CE1 
2776 C  CE2 . PHE C 31  ? 0.381 0.410 0.064 -0.017 -0.058 -0.007 29  PHE FFF CE2 
2777 C  CZ  . PHE C 31  ? 0.374 0.402 0.060 -0.044 -0.052 -0.051 29  PHE FFF CZ  
2778 N  N   . SER C 32  ? 0.387 0.372 0.088 -0.006 -0.017 0.045  30  SER FFF N   
2779 C  CA  A SER C 32  ? 0.400 0.388 0.125 -0.023 -0.016 0.062  30  SER FFF CA  
2780 C  CA  B SER C 32  ? 0.410 0.387 0.146 -0.028 -0.021 0.047  30  SER FFF CA  
2781 C  C   . SER C 32  ? 0.398 0.382 0.136 -0.058 -0.040 0.054  30  SER FFF C   
2782 O  O   . SER C 32  ? 0.403 0.407 0.191 -0.079 -0.028 0.048  30  SER FFF O   
2783 C  CB  A SER C 32  ? 0.389 0.427 0.146 -0.054 -0.047 0.118  30  SER FFF CB  
2784 C  CB  B SER C 32  ? 0.436 0.377 0.170 -0.058 -0.029 0.058  30  SER FFF CB  
2785 O  OG  A SER C 32  ? 0.514 0.532 0.175 -0.056 -0.074 0.183  30  SER FFF OG  
2786 O  OG  B SER C 32  ? 0.454 0.403 0.189 -0.027 -0.017 0.044  30  SER FFF OG  
2787 N  N   . THR C 33  ? 0.415 0.329 0.134 -0.030 -0.037 0.041  31  THR FFF N   
2788 C  CA  . THR C 33  ? 0.452 0.300 0.147 -0.027 -0.044 0.044  31  THR FFF CA  
2789 C  C   . THR C 33  ? 0.420 0.310 0.138 -0.031 -0.036 0.032  31  THR FFF C   
2790 O  O   . THR C 33  ? 0.467 0.347 0.159 -0.045 -0.052 0.011  31  THR FFF O   
2791 C  CB  . THR C 33  ? 0.520 0.307 0.162 0.009  -0.065 0.044  31  THR FFF CB  
2792 O  OG1 . THR C 33  ? 0.522 0.369 0.190 -0.033 -0.106 0.077  31  THR FFF OG1 
2793 C  CG2 . THR C 33  ? 0.515 0.367 0.192 -0.003 -0.071 -0.006 31  THR FFF CG2 
2794 N  N   . TYR C 34  ? 0.416 0.299 0.107 -0.022 -0.038 0.022  32  TYR FFF N   
2795 C  CA  . TYR C 34  ? 0.393 0.322 0.095 -0.044 -0.030 0.014  32  TYR FFF CA  
2796 C  C   . TYR C 34  ? 0.373 0.346 0.103 -0.013 -0.054 -0.011 32  TYR FFF C   
2797 O  O   . TYR C 34  ? 0.431 0.345 0.069 -0.003 -0.041 0.001  32  TYR FFF O   
2798 C  CB  . TYR C 34  ? 0.397 0.352 0.100 -0.017 -0.003 -0.016 32  TYR FFF CB  
2799 C  CG  . TYR C 34  ? 0.442 0.375 0.135 0.013  -0.009 0.017  32  TYR FFF CG  
2800 C  CD1 . TYR C 34  ? 0.489 0.402 0.161 0.029  0.007  -0.009 32  TYR FFF CD1 
2801 C  CD2 . TYR C 34  ? 0.413 0.432 0.144 0.041  -0.001 0.017  32  TYR FFF CD2 
2802 C  CE1 . TYR C 34  ? 0.582 0.437 0.240 0.077  0.024  -0.025 32  TYR FFF CE1 
2803 C  CE2 . TYR C 34  ? 0.462 0.439 0.244 0.063  -0.043 -0.006 32  TYR FFF CE2 
2804 C  CZ  . TYR C 34  ? 0.652 0.423 0.315 0.095  -0.066 -0.043 32  TYR FFF CZ  
2805 O  OH  . TYR C 34  ? 0.638 0.440 0.535 0.115  0.033  -0.021 32  TYR FFF OH  
2806 N  N   . SER C 35  ? 0.349 0.349 0.080 -0.017 -0.022 0.003  33  SER FFF N   
2807 C  CA  . SER C 35  ? 0.356 0.352 0.066 -0.004 -0.031 -0.000 33  SER FFF CA  
2808 C  C   . SER C 35  ? 0.352 0.325 0.080 0.010  -0.042 -0.018 33  SER FFF C   
2809 O  O   . SER C 35  ? 0.338 0.338 0.073 0.001  -0.056 -0.001 33  SER FFF O   
2810 C  CB  . SER C 35  ? 0.350 0.322 0.064 0.008  -0.030 -0.013 33  SER FFF CB  
2811 O  OG  . SER C 35  ? 0.356 0.361 0.067 -0.007 -0.031 0.019  33  SER FFF OG  
2812 N  N   . MET C 36  ? 0.326 0.330 0.068 -0.003 -0.002 -0.018 34  MET FFF N   
2813 C  CA  . MET C 36  ? 0.327 0.309 0.035 0.002  -0.033 -0.024 34  MET FFF CA  
2814 C  C   . MET C 36  ? 0.331 0.320 0.042 -0.013 -0.032 -0.013 34  MET FFF C   
2815 O  O   . MET C 36  ? 0.348 0.334 0.039 0.001  -0.045 -0.021 34  MET FFF O   
2816 C  CB  . MET C 36  ? 0.357 0.332 0.059 -0.008 -0.070 -0.049 34  MET FFF CB  
2817 C  CG  . MET C 36  ? 0.315 0.369 0.079 -0.007 -0.039 -0.027 34  MET FFF CG  
2818 S  SD  . MET C 36  ? 0.387 0.359 0.066 0.002  -0.010 -0.030 34  MET FFF SD  
2819 C  CE  . MET C 36  ? 0.367 0.392 0.070 -0.012 0.015  -0.043 34  MET FFF CE  
2820 N  N   . GLY C 37  ? 0.322 0.325 0.032 -0.004 -0.015 -0.029 35  GLY FFF N   
2821 C  CA  . GLY C 37  ? 0.338 0.343 0.042 -0.006 0.049  -0.005 35  GLY FFF CA  
2822 C  C   . GLY C 37  ? 0.339 0.332 0.051 0.026  0.019  -0.024 35  GLY FFF C   
2823 O  O   . GLY C 37  ? 0.331 0.333 0.076 -0.011 -0.008 0.003  35  GLY FFF O   
2824 N  N   . TRP C 38  ? 0.364 0.317 0.054 0.002  -0.000 -0.002 36  TRP FFF N   
2825 C  CA  . TRP C 38  ? 0.345 0.330 0.097 -0.011 -0.007 0.058  36  TRP FFF CA  
2826 C  C   . TRP C 38  ? 0.361 0.328 0.040 -0.006 -0.014 -0.024 36  TRP FFF C   
2827 O  O   . TRP C 38  ? 0.322 0.368 0.073 -0.026 -0.018 0.040  36  TRP FFF O   
2828 C  CB  . TRP C 38  ? 0.415 0.336 0.094 -0.012 -0.018 0.039  36  TRP FFF CB  
2829 C  CG  . TRP C 38  ? 0.384 0.278 0.082 -0.031 -0.006 -0.007 36  TRP FFF CG  
2830 C  CD1 . TRP C 38  ? 0.365 0.350 0.084 -0.007 -0.015 0.016  36  TRP FFF CD1 
2831 C  CD2 . TRP C 38  ? 0.369 0.335 0.071 -0.031 0.006  0.006  36  TRP FFF CD2 
2832 N  NE1 . TRP C 38  ? 0.372 0.347 0.080 -0.032 -0.001 0.020  36  TRP FFF NE1 
2833 C  CE2 . TRP C 38  ? 0.360 0.312 0.064 -0.009 0.002  0.007  36  TRP FFF CE2 
2834 C  CE3 . TRP C 38  ? 0.371 0.350 0.043 -0.040 -0.014 0.003  36  TRP FFF CE3 
2835 C  CZ2 . TRP C 38  ? 0.405 0.369 0.053 -0.000 -0.003 -0.005 36  TRP FFF CZ2 
2836 C  CZ3 . TRP C 38  ? 0.379 0.372 0.069 -0.030 -0.055 0.016  36  TRP FFF CZ3 
2837 C  CH2 . TRP C 38  ? 0.416 0.350 0.072 -0.020 -0.022 -0.009 36  TRP FFF CH2 
2838 N  N   . PHE C 39  ? 0.462 0.309 0.268 -0.002 0.063  0.065  37  PHE FFF N   
2839 C  CA  . PHE C 39  ? 0.401 0.292 0.264 -0.010 0.068  0.060  37  PHE FFF CA  
2840 C  C   . PHE C 39  ? 0.401 0.298 0.250 -0.022 0.064  0.065  37  PHE FFF C   
2841 O  O   . PHE C 39  ? 0.397 0.361 0.244 -0.028 0.075  0.079  37  PHE FFF O   
2842 C  CB  . PHE C 39  ? 0.403 0.310 0.285 -0.007 0.095  0.062  37  PHE FFF CB  
2843 C  CG  . PHE C 39  ? 0.409 0.309 0.307 -0.012 0.113  0.034  37  PHE FFF CG  
2844 C  CD1 . PHE C 39  ? 0.415 0.287 0.355 0.005  0.095  0.062  37  PHE FFF CD1 
2845 C  CD2 . PHE C 39  ? 0.428 0.306 0.318 -0.023 0.089  0.036  37  PHE FFF CD2 
2846 C  CE1 . PHE C 39  ? 0.425 0.309 0.379 -0.018 0.123  0.036  37  PHE FFF CE1 
2847 C  CE2 . PHE C 39  ? 0.432 0.334 0.340 -0.006 0.118  -0.034 37  PHE FFF CE2 
2848 C  CZ  . PHE C 39  ? 0.444 0.333 0.384 -0.020 0.127  -0.035 37  PHE FFF CZ  
2849 N  N   . ARG C 40  ? 0.414 0.294 0.237 0.013  0.073  0.058  38  ARG FFF N   
2850 C  CA  . ARG C 40  ? 0.393 0.335 0.246 -0.010 0.069  0.091  38  ARG FFF CA  
2851 C  C   . ARG C 40  ? 0.395 0.372 0.238 -0.048 0.083  0.057  38  ARG FFF C   
2852 O  O   . ARG C 40  ? 0.432 0.391 0.245 -0.031 0.060  0.075  38  ARG FFF O   
2853 C  CB  . ARG C 40  ? 0.410 0.329 0.251 -0.018 0.061  0.074  38  ARG FFF CB  
2854 C  CG  . ARG C 40  ? 0.412 0.311 0.270 -0.007 0.054  0.085  38  ARG FFF CG  
2855 C  CD  . ARG C 40  ? 0.457 0.300 0.297 0.005  0.049  0.079  38  ARG FFF CD  
2856 N  NE  . ARG C 40  ? 0.486 0.301 0.323 0.014  0.043  0.101  38  ARG FFF NE  
2857 C  CZ  . ARG C 40  ? 0.513 0.324 0.369 0.040  0.041  0.089  38  ARG FFF CZ  
2858 N  NH1 . ARG C 40  ? 0.513 0.328 0.387 0.036  0.054  0.076  38  ARG FFF NH1 
2859 N  NH2 . ARG C 40  ? 0.580 0.380 0.400 0.062  0.026  0.101  38  ARG FFF NH2 
2860 N  N   . GLN C 41  ? 0.399 0.400 0.244 -0.056 0.074  0.072  39  GLN FFF N   
2861 C  CA  . GLN C 41  ? 0.425 0.440 0.245 -0.085 0.079  0.069  39  GLN FFF CA  
2862 C  C   . GLN C 41  ? 0.514 0.448 0.268 -0.106 0.051  0.066  39  GLN FFF C   
2863 O  O   . GLN C 41  ? 0.474 0.513 0.258 -0.139 0.082  0.053  39  GLN FFF O   
2864 C  CB  . GLN C 41  ? 0.459 0.464 0.248 -0.061 0.095  0.047  39  GLN FFF CB  
2865 C  CG  . GLN C 41  ? 0.470 0.540 0.255 -0.051 0.116  0.029  39  GLN FFF CG  
2866 C  CD  . GLN C 41  ? 0.555 0.602 0.295 0.022  0.149  0.027  39  GLN FFF CD  
2867 O  OE1 . GLN C 41  ? 0.585 0.726 0.313 0.137  0.091  0.052  39  GLN FFF OE1 
2868 N  NE2 . GLN C 41  ? 0.646 0.681 0.337 0.041  0.159  -0.080 39  GLN FFF NE2 
2869 N  N   . ALA C 42  ? 0.650 0.452 0.285 -0.135 0.036  0.073  40  ALA FFF N   
2870 C  CA  . ALA C 42  ? 0.662 0.513 0.360 -0.190 -0.002 0.075  40  ALA FFF CA  
2871 C  C   . ALA C 42  ? 0.722 0.684 0.301 -0.235 0.047  0.073  40  ALA FFF C   
2872 O  O   . ALA C 42  ? 0.622 0.649 0.313 -0.255 0.084  0.069  40  ALA FFF O   
2873 C  CB  . ALA C 42  ? 0.797 0.509 0.434 -0.141 -0.028 0.075  40  ALA FFF CB  
2874 N  N   . PRO C 43  ? 0.800 0.789 0.326 -0.318 0.079  0.020  41  PRO FFF N   
2875 C  CA  . PRO C 43  ? 0.747 0.878 0.389 -0.285 0.021  -0.029 41  PRO FFF CA  
2876 C  C   . PRO C 43  ? 0.835 0.881 0.365 -0.309 0.086  0.082  41  PRO FFF C   
2877 O  O   . PRO C 43  ? 0.803 0.926 0.331 -0.332 0.077  0.126  41  PRO FFF O   
2878 C  CB  . PRO C 43  ? 0.857 0.845 0.378 -0.358 0.094  -0.024 41  PRO FFF CB  
2879 C  CG  . PRO C 43  ? 0.837 0.914 0.405 -0.370 0.057  -0.047 41  PRO FFF CG  
2880 C  CD  . PRO C 43  ? 0.817 0.746 0.394 -0.349 0.072  -0.017 41  PRO FFF CD  
2881 N  N   . GLY C 44  ? 0.679 0.931 0.481 -0.349 0.051  -0.003 42  GLY FFF N   
2882 C  CA  . GLY C 44  ? 0.756 1.115 0.475 -0.329 0.069  0.020  42  GLY FFF CA  
2883 C  C   . GLY C 44  ? 0.754 1.106 0.284 -0.290 0.073  0.136  42  GLY FFF C   
2884 O  O   . GLY C 44  ? 1.100 1.271 0.405 -0.406 0.375  0.086  42  GLY FFF O   
2885 N  N   . LYS C 45  ? 0.700 0.913 0.304 -0.142 0.097  0.128  43  LYS FFF N   
2886 C  CA  . LYS C 45  ? 0.742 0.802 0.279 -0.113 0.039  0.098  43  LYS FFF CA  
2887 C  C   . LYS C 45  ? 0.507 0.764 0.271 -0.092 0.067  0.010  43  LYS FFF C   
2888 O  O   . LYS C 45  ? 0.541 0.870 0.270 -0.106 0.075  -0.020 43  LYS FFF O   
2889 C  CB  . LYS C 45  ? 0.828 0.773 0.295 -0.046 0.019  0.154  43  LYS FFF CB  
2890 C  CG  . LYS C 45  ? 0.942 0.788 0.369 -0.020 -0.014 0.231  43  LYS FFF CG  
2891 C  CD  . LYS C 45  ? 0.972 0.909 0.661 0.038  -0.146 0.222  43  LYS FFF CD  
2892 C  CE  . LYS C 45  ? 1.165 0.937 0.778 -0.026 -0.165 0.251  43  LYS FFF CE  
2893 N  NZ  . LYS C 45  ? 1.279 0.946 1.062 0.098  -0.202 0.178  43  LYS FFF NZ  
2894 N  N   . GLU C 46  ? 0.499 0.744 0.263 -0.089 0.053  0.050  44  GLU FFF N   
2895 C  CA  . GLU C 46  ? 0.520 0.727 0.264 -0.084 0.095  0.011  44  GLU FFF CA  
2896 C  C   . GLU C 46  ? 0.470 0.601 0.270 -0.082 0.084  -0.016 44  GLU FFF C   
2897 O  O   . GLU C 46  ? 0.566 0.557 0.310 -0.044 0.092  0.036  44  GLU FFF O   
2898 C  CB  . GLU C 46  ? 0.576 0.807 0.269 -0.071 0.109  -0.061 44  GLU FFF CB  
2899 C  CG  . GLU C 46  ? 0.656 1.026 0.291 -0.056 0.164  -0.018 44  GLU FFF CG  
2900 C  CD  . GLU C 46  ? 0.568 1.187 0.558 0.005  0.110  -0.223 44  GLU FFF CD  
2901 O  OE1 . GLU C 46  ? 0.905 1.429 0.464 0.184  0.294  -0.121 44  GLU FFF OE1 
2902 O  OE2 . GLU C 46  ? 0.676 1.278 0.765 -0.037 -0.211 0.041  44  GLU FFF OE2 
2903 N  N   . ARG C 47  ? 0.425 0.604 0.278 -0.057 0.089  -0.016 45  ARG FFF N   
2904 C  CA  . ARG C 47  ? 0.449 0.501 0.292 -0.062 0.115  -0.046 45  ARG FFF CA  
2905 C  C   . ARG C 47  ? 0.469 0.458 0.285 -0.012 0.064  -0.023 45  ARG FFF C   
2906 O  O   . ARG C 47  ? 0.546 0.561 0.325 -0.027 0.098  -0.113 45  ARG FFF O   
2907 C  CB  . ARG C 47  ? 0.445 0.500 0.316 -0.053 0.122  -0.041 45  ARG FFF CB  
2908 C  CG  . ARG C 47  ? 0.490 0.436 0.344 -0.088 0.146  -0.016 45  ARG FFF CG  
2909 C  CD  . ARG C 47  ? 0.533 0.518 0.359 -0.044 0.148  0.043  45  ARG FFF CD  
2910 N  NE  . ARG C 47  ? 0.533 0.608 0.357 -0.037 0.168  0.013  45  ARG FFF NE  
2911 C  CZ  . ARG C 47  ? 0.588 0.614 0.392 -0.038 0.161  0.044  45  ARG FFF CZ  
2912 N  NH1 . ARG C 47  ? 0.480 0.585 0.439 -0.031 0.159  0.045  45  ARG FFF NH1 
2913 N  NH2 . ARG C 47  ? 0.611 0.750 0.555 -0.082 0.098  -0.087 45  ARG FFF NH2 
2914 N  N   . GLU C 48  ? 0.473 0.437 0.242 -0.040 0.099  0.019  46  GLU FFF N   
2915 C  CA  . GLU C 48  ? 0.453 0.441 0.238 -0.059 0.112  0.022  46  GLU FFF CA  
2916 C  C   . GLU C 48  ? 0.414 0.375 0.255 -0.039 0.112  0.045  46  GLU FFF C   
2917 O  O   . GLU C 48  ? 0.397 0.368 0.296 -0.040 0.068  0.003  46  GLU FFF O   
2918 C  CB  . GLU C 48  ? 0.518 0.489 0.233 -0.026 0.075  0.054  46  GLU FFF CB  
2919 C  CG  . GLU C 48  ? 0.687 0.445 0.245 -0.049 0.052  0.065  46  GLU FFF CG  
2920 C  CD  . GLU C 48  ? 0.757 0.507 0.289 0.044  0.159  0.128  46  GLU FFF CD  
2921 O  OE1 . GLU C 48  ? 0.867 0.600 0.292 0.004  0.114  0.110  46  GLU FFF OE1 
2922 O  OE2 . GLU C 48  ? 0.773 0.793 0.283 -0.102 0.019  0.197  46  GLU FFF OE2 
2923 N  N   . PHE C 49  ? 0.423 0.373 0.241 -0.026 0.078  0.044  47  PHE FFF N   
2924 C  CA  . PHE C 49  ? 0.398 0.347 0.243 -0.033 0.073  0.038  47  PHE FFF CA  
2925 C  C   . PHE C 49  ? 0.428 0.331 0.235 -0.039 0.061  0.036  47  PHE FFF C   
2926 O  O   . PHE C 49  ? 0.469 0.364 0.227 -0.018 0.076  0.038  47  PHE FFF O   
2927 C  CB  . PHE C 49  ? 0.449 0.372 0.249 -0.049 0.077  0.011  47  PHE FFF CB  
2928 C  CG  . PHE C 49  ? 0.457 0.358 0.250 -0.058 0.087  -0.009 47  PHE FFF CG  
2929 C  CD1 . PHE C 49  ? 0.453 0.348 0.278 -0.040 0.087  -0.012 47  PHE FFF CD1 
2930 C  CD2 . PHE C 49  ? 0.491 0.378 0.245 -0.022 0.043  0.007  47  PHE FFF CD2 
2931 C  CE1 . PHE C 49  ? 0.501 0.342 0.279 -0.051 0.080  0.007  47  PHE FFF CE1 
2932 C  CE2 . PHE C 49  ? 0.465 0.326 0.257 -0.026 0.039  0.004  47  PHE FFF CE2 
2933 C  CZ  . PHE C 49  ? 0.507 0.327 0.250 -0.052 0.088  -0.008 47  PHE FFF CZ  
2934 N  N   . VAL C 50  ? 0.376 0.333 0.066 0.005  -0.004 0.072  48  VAL FFF N   
2935 C  CA  . VAL C 50  ? 0.369 0.311 0.081 -0.025 -0.067 0.022  48  VAL FFF CA  
2936 C  C   . VAL C 50  ? 0.385 0.311 0.052 -0.006 -0.033 0.012  48  VAL FFF C   
2937 O  O   . VAL C 50  ? 0.405 0.334 0.090 0.015  -0.031 0.014  48  VAL FFF O   
2938 C  CB  . VAL C 50  ? 0.362 0.323 0.073 -0.032 -0.032 -0.024 48  VAL FFF CB  
2939 C  CG1 . VAL C 50  ? 0.404 0.358 0.092 0.015  -0.032 -0.030 48  VAL FFF CG1 
2940 C  CG2 . VAL C 50  ? 0.376 0.391 0.085 -0.041 -0.016 -0.022 48  VAL FFF CG2 
2941 N  N   . ALA C 51  ? 0.341 0.315 0.078 0.017  -0.042 0.026  49  ALA FFF N   
2942 C  CA  . ALA C 51  ? 0.338 0.299 0.093 0.011  -0.031 -0.011 49  ALA FFF CA  
2943 C  C   . ALA C 51  ? 0.338 0.318 0.092 0.013  -0.019 0.017  49  ALA FFF C   
2944 O  O   . ALA C 51  ? 0.341 0.348 0.141 0.017  -0.004 0.056  49  ALA FFF O   
2945 C  CB  . ALA C 51  ? 0.403 0.327 0.098 0.009  -0.000 -0.020 49  ALA FFF CB  
2946 N  N   . GLY C 52  ? 0.364 0.305 0.049 0.002  -0.010 -0.001 50  GLY FFF N   
2947 C  CA  . GLY C 52  ? 0.359 0.305 0.048 -0.006 -0.005 0.009  50  GLY FFF CA  
2948 C  C   . GLY C 52  ? 0.319 0.288 0.041 0.010  -0.025 -0.026 50  GLY FFF C   
2949 O  O   . GLY C 52  ? 0.337 0.319 0.046 0.031  -0.022 0.024  50  GLY FFF O   
2950 N  N   . MET C 53  ? 0.334 0.308 0.037 0.005  -0.032 0.003  51  MET FFF N   
2951 C  CA  . MET C 53  ? 0.301 0.343 0.063 -0.015 -0.063 0.005  51  MET FFF CA  
2952 C  C   . MET C 53  ? 0.316 0.334 0.047 -0.004 0.002  0.013  51  MET FFF C   
2953 O  O   . MET C 53  ? 0.352 0.310 0.078 0.010  -0.008 -0.006 51  MET FFF O   
2954 C  CB  . MET C 53  ? 0.319 0.380 0.068 -0.013 -0.058 -0.036 51  MET FFF CB  
2955 C  CG  . MET C 53  ? 0.329 0.343 0.059 -0.018 -0.062 -0.036 51  MET FFF CG  
2956 S  SD  . MET C 53  ? 0.399 0.401 0.046 0.002  -0.035 -0.009 51  MET FFF SD  
2957 C  CE  . MET C 53  ? 0.397 0.413 0.108 0.019  -0.050 0.004  51  MET FFF CE  
2958 N  N   . ARG C 54  ? 0.307 0.345 0.010 0.008  -0.005 0.013  52  ARG FFF N   
2959 C  CA  . ARG C 54  ? 0.321 0.333 0.054 0.004  -0.015 0.033  52  ARG FFF CA  
2960 C  C   . ARG C 54  ? 0.355 0.295 0.058 0.028  -0.023 0.017  52  ARG FFF C   
2961 O  O   . ARG C 54  ? 0.363 0.306 0.063 -0.004 -0.020 -0.003 52  ARG FFF O   
2962 C  CB  . ARG C 54  ? 0.325 0.339 0.075 0.014  -0.031 0.018  52  ARG FFF CB  
2963 C  CG  . ARG C 54  ? 0.336 0.350 0.042 0.042  -0.002 -0.006 52  ARG FFF CG  
2964 C  CD  . ARG C 54  ? 0.335 0.286 0.035 0.036  -0.015 -0.008 52  ARG FFF CD  
2965 N  NE  . ARG C 54  ? 0.362 0.333 0.059 0.041  -0.027 0.019  52  ARG FFF NE  
2966 C  CZ  . ARG C 54  ? 0.342 0.336 0.062 0.023  -0.026 0.005  52  ARG FFF CZ  
2967 N  NH1 . ARG C 54  ? 0.361 0.336 0.046 0.017  -0.016 0.007  52  ARG FFF NH1 
2968 N  NH2 . ARG C 54  ? 0.351 0.316 0.052 0.012  0.004  0.007  52  ARG FFF NH2 
2969 N  N   . TRP C 55  ? 0.364 0.284 0.068 0.016  -0.044 0.015  53  TRP FFF N   
2970 C  CA  . TRP C 55  ? 0.336 0.312 0.080 0.018  -0.030 0.040  53  TRP FFF CA  
2971 C  C   . TRP C 55  ? 0.325 0.365 0.086 0.018  -0.033 0.032  53  TRP FFF C   
2972 O  O   . TRP C 55  ? 0.393 0.333 0.076 0.002  0.016  0.045  53  TRP FFF O   
2973 C  CB  . TRP C 55  ? 0.374 0.325 0.042 -0.004 0.009  0.021  53  TRP FFF CB  
2974 C  CG  . TRP C 55  ? 0.372 0.316 0.119 0.009  -0.022 0.009  53  TRP FFF CG  
2975 C  CD1 . TRP C 55  ? 0.409 0.361 0.134 -0.028 -0.006 0.010  53  TRP FFF CD1 
2976 C  CD2 . TRP C 55  ? 0.382 0.331 0.102 0.005  -0.012 0.035  53  TRP FFF CD2 
2977 N  NE1 . TRP C 55  ? 0.366 0.392 0.183 -0.054 -0.023 0.058  53  TRP FFF NE1 
2978 C  CE2 . TRP C 55  ? 0.354 0.349 0.157 0.015  -0.064 0.032  53  TRP FFF CE2 
2979 C  CE3 . TRP C 55  ? 0.382 0.341 0.088 -0.005 -0.030 0.024  53  TRP FFF CE3 
2980 C  CZ2 . TRP C 55  ? 0.356 0.376 0.185 -0.036 -0.056 0.009  53  TRP FFF CZ2 
2981 C  CZ3 . TRP C 55  ? 0.378 0.338 0.167 -0.021 -0.093 0.035  53  TRP FFF CZ3 
2982 C  CH2 . TRP C 55  ? 0.396 0.336 0.175 -0.033 -0.067 0.007  53  TRP FFF CH2 
2983 N  N   . THR C 56  ? 0.314 0.329 0.089 -0.009 -0.032 0.041  54  THR FFF N   
2984 C  CA  . THR C 56  ? 0.344 0.376 0.103 -0.030 0.001  0.011  54  THR FFF CA  
2985 C  C   . THR C 56  ? 0.311 0.368 0.065 -0.013 -0.005 0.037  54  THR FFF C   
2986 O  O   . THR C 56  ? 0.397 0.439 0.086 -0.027 0.042  0.074  54  THR FFF O   
2987 C  CB  . THR C 56  ? 0.338 0.357 0.116 -0.027 0.007  0.023  54  THR FFF CB  
2988 O  OG1 . THR C 56  ? 0.365 0.349 0.074 0.006  -0.015 0.016  54  THR FFF OG1 
2989 C  CG2 . THR C 56  ? 0.405 0.364 0.170 -0.042 -0.044 -0.007 54  THR FFF CG2 
2990 N  N   . GLY C 57  ? 0.348 0.344 0.031 -0.010 -0.003 0.010  55  GLY FFF N   
2991 C  CA  . GLY C 57  ? 0.400 0.359 0.021 -0.017 0.007  0.005  55  GLY FFF CA  
2992 C  C   . GLY C 57  ? 0.408 0.353 0.059 -0.006 0.007  -0.017 55  GLY FFF C   
2993 O  O   . GLY C 57  ? 0.464 0.400 0.111 0.040  0.008  -0.064 55  GLY FFF O   
2994 N  N   . SER C 58  ? 0.345 0.381 0.076 -0.004 0.020  -0.003 56  SER FFF N   
2995 C  CA  . SER C 58  ? 0.378 0.426 0.119 0.020  0.009  0.079  56  SER FFF CA  
2996 C  C   . SER C 58  ? 0.331 0.410 0.144 0.009  0.017  0.092  56  SER FFF C   
2997 O  O   . SER C 58  ? 0.342 0.521 0.250 0.045  0.052  0.163  56  SER FFF O   
2998 C  CB  . SER C 58  ? 0.402 0.422 0.222 0.000  -0.011 0.051  56  SER FFF CB  
2999 O  OG  . SER C 58  ? 0.460 0.423 0.240 0.012  0.046  0.060  56  SER FFF OG  
3000 N  N   . SER C 59  ? 0.329 0.352 0.047 0.014  -0.018 0.019  57  SER FFF N   
3001 C  CA  . SER C 59  ? 0.360 0.299 0.068 0.017  -0.008 0.015  57  SER FFF CA  
3002 C  C   . SER C 59  ? 0.347 0.323 0.038 0.029  -0.017 -0.050 57  SER FFF C   
3003 O  O   . SER C 59  ? 0.328 0.330 0.072 0.003  -0.014 0.024  57  SER FFF O   
3004 C  CB  . SER C 59  ? 0.394 0.353 0.040 0.001  -0.016 0.012  57  SER FFF CB  
3005 O  OG  . SER C 59  ? 0.409 0.357 0.055 -0.010 -0.015 0.020  57  SER FFF OG  
3006 N  N   . THR C 60  ? 0.342 0.344 0.082 0.027  -0.005 -0.005 58  THR FFF N   
3007 C  CA  . THR C 60  ? 0.359 0.318 0.061 0.008  -0.045 0.015  58  THR FFF CA  
3008 C  C   . THR C 60  ? 0.324 0.328 0.063 0.029  -0.003 0.026  58  THR FFF C   
3009 O  O   . THR C 60  ? 0.343 0.359 0.040 0.010  -0.012 0.010  58  THR FFF O   
3010 C  CB  . THR C 60  ? 0.375 0.325 0.072 0.024  -0.046 0.001  58  THR FFF CB  
3011 O  OG1 . THR C 60  ? 0.412 0.347 0.040 0.040  0.004  -0.015 58  THR FFF OG1 
3012 C  CG2 . THR C 60  ? 0.404 0.368 0.055 0.003  -0.057 -0.001 58  THR FFF CG2 
3013 N  N   . PHE C 61  ? 0.338 0.322 0.085 -0.004 -0.014 0.025  59  PHE FFF N   
3014 C  CA  . PHE C 61  ? 0.376 0.304 0.066 -0.004 -0.026 0.003  59  PHE FFF CA  
3015 C  C   . PHE C 61  ? 0.345 0.289 0.055 0.027  0.003  -0.005 59  PHE FFF C   
3016 O  O   . PHE C 61  ? 0.345 0.335 0.078 -0.009 -0.008 0.033  59  PHE FFF O   
3017 C  CB  . PHE C 61  ? 0.355 0.328 0.070 -0.038 0.014  -0.014 59  PHE FFF CB  
3018 C  CG  . PHE C 61  ? 0.382 0.318 0.063 -0.031 -0.004 -0.035 59  PHE FFF CG  
3019 C  CD1 . PHE C 61  ? 0.364 0.320 0.042 -0.012 -0.035 0.012  59  PHE FFF CD1 
3020 C  CD2 . PHE C 61  ? 0.388 0.309 0.055 -0.010 -0.005 -0.030 59  PHE FFF CD2 
3021 C  CE1 . PHE C 61  ? 0.399 0.315 0.050 -0.002 -0.042 -0.001 59  PHE FFF CE1 
3022 C  CE2 . PHE C 61  ? 0.393 0.348 0.054 -0.001 0.000  0.034  59  PHE FFF CE2 
3023 C  CZ  . PHE C 61  ? 0.375 0.316 0.073 -0.018 -0.022 -0.021 59  PHE FFF CZ  
3024 N  N   . TYR C 62  ? 0.375 0.322 0.062 -0.008 -0.033 0.022  60  TYR FFF N   
3025 C  CA  . TYR C 62  ? 0.372 0.309 0.108 0.003  -0.006 0.059  60  TYR FFF CA  
3026 C  C   . TYR C 62  ? 0.370 0.312 0.091 -0.007 -0.016 0.038  60  TYR FFF C   
3027 O  O   . TYR C 62  ? 0.363 0.356 0.092 0.001  -0.018 0.017  60  TYR FFF O   
3028 C  CB  . TYR C 62  ? 0.397 0.355 0.095 0.009  -0.003 0.020  60  TYR FFF CB  
3029 C  CG  . TYR C 62  ? 0.368 0.321 0.102 0.020  -0.007 0.033  60  TYR FFF CG  
3030 C  CD1 . TYR C 62  ? 0.368 0.339 0.099 -0.001 0.000  0.026  60  TYR FFF CD1 
3031 C  CD2 . TYR C 62  ? 0.370 0.373 0.104 0.012  -0.007 0.044  60  TYR FFF CD2 
3032 C  CE1 . TYR C 62  ? 0.357 0.363 0.063 0.015  -0.051 -0.007 60  TYR FFF CE1 
3033 C  CE2 . TYR C 62  ? 0.344 0.369 0.083 0.015  -0.013 0.018  60  TYR FFF CE2 
3034 C  CZ  . TYR C 62  ? 0.379 0.353 0.060 0.011  -0.017 0.002  60  TYR FFF CZ  
3035 O  OH  . TYR C 62  ? 0.364 0.421 0.057 0.009  -0.024 0.013  60  TYR FFF OH  
3036 N  N   . SER C 63  ? 0.382 0.303 0.085 -0.021 -0.024 0.032  61  SER FFF N   
3037 C  CA  . SER C 63  ? 0.406 0.325 0.073 0.012  0.006  0.018  61  SER FFF CA  
3038 C  C   . SER C 63  ? 0.399 0.332 0.085 0.007  -0.042 0.044  61  SER FFF C   
3039 O  O   . SER C 63  ? 0.404 0.341 0.111 0.003  -0.042 0.016  61  SER FFF O   
3040 C  CB  . SER C 63  ? 0.394 0.353 0.160 0.033  0.011  0.017  61  SER FFF CB  
3041 O  OG  . SER C 63  ? 0.469 0.450 0.157 -0.040 0.005  0.004  61  SER FFF OG  
3042 N  N   . ASP C 64  ? 0.401 0.352 0.089 -0.002 -0.035 0.029  62  ASP FFF N   
3043 C  CA  . ASP C 64  ? 0.476 0.339 0.109 0.001  -0.044 0.029  62  ASP FFF CA  
3044 C  C   . ASP C 64  ? 0.456 0.316 0.124 0.011  -0.055 0.051  62  ASP FFF C   
3045 O  O   . ASP C 64  ? 0.481 0.338 0.177 0.024  -0.065 -0.001 62  ASP FFF O   
3046 C  CB  . ASP C 64  ? 0.459 0.386 0.111 -0.014 -0.045 0.053  62  ASP FFF CB  
3047 C  CG  . ASP C 64  ? 0.479 0.389 0.103 -0.046 -0.043 0.078  62  ASP FFF CG  
3048 O  OD1 . ASP C 64  ? 0.442 0.369 0.111 -0.023 -0.049 0.077  62  ASP FFF OD1 
3049 O  OD2 . ASP C 64  ? 0.456 0.388 0.110 0.002  -0.071 0.041  62  ASP FFF OD2 
3050 N  N   . SER C 65  ? 0.439 0.347 0.131 -0.036 -0.021 0.073  63  SER FFF N   
3051 C  CA  A SER C 65  ? 0.507 0.367 0.174 -0.037 -0.052 0.030  63  SER FFF CA  
3052 C  CA  B SER C 65  ? 0.498 0.349 0.177 -0.039 -0.037 0.043  63  SER FFF CA  
3053 C  C   . SER C 65  ? 0.494 0.332 0.181 -0.028 -0.053 0.006  63  SER FFF C   
3054 O  O   . SER C 65  ? 0.571 0.333 0.191 -0.042 -0.107 0.015  63  SER FFF O   
3055 C  CB  A SER C 65  ? 0.506 0.471 0.260 -0.049 -0.037 0.008  63  SER FFF CB  
3056 C  CB  B SER C 65  ? 0.506 0.379 0.154 -0.054 0.007  0.037  63  SER FFF CB  
3057 O  OG  A SER C 65  ? 0.514 0.523 0.220 0.026  -0.036 -0.012 63  SER FFF OG  
3058 O  OG  B SER C 65  ? 0.502 0.403 0.163 -0.086 0.029  0.032  63  SER FFF OG  
3059 N  N   . VAL C 66  ? 0.457 0.345 0.140 -0.042 -0.070 -0.008 64  VAL FFF N   
3060 C  CA  . VAL C 66  ? 0.418 0.347 0.143 -0.003 -0.075 -0.023 64  VAL FFF CA  
3061 C  C   . VAL C 66  ? 0.427 0.358 0.138 0.009  -0.053 -0.035 64  VAL FFF C   
3062 O  O   . VAL C 66  ? 0.430 0.357 0.155 0.027  -0.020 -0.045 64  VAL FFF O   
3063 C  CB  . VAL C 66  ? 0.424 0.327 0.136 0.001  -0.060 -0.015 64  VAL FFF CB  
3064 C  CG1 . VAL C 66  ? 0.430 0.354 0.171 -0.005 -0.053 0.006  64  VAL FFF CG1 
3065 C  CG2 . VAL C 66  ? 0.413 0.324 0.095 0.005  -0.055 0.024  64  VAL FFF CG2 
3066 N  N   . LYS C 67  ? 0.459 0.378 0.135 0.008  -0.055 -0.044 65  LYS FFF N   
3067 C  CA  . LYS C 67  ? 0.454 0.350 0.138 0.022  -0.063 -0.024 65  LYS FFF CA  
3068 C  C   . LYS C 67  ? 0.442 0.329 0.209 0.025  -0.059 -0.016 65  LYS FFF C   
3069 O  O   . LYS C 67  ? 0.496 0.360 0.218 0.035  -0.036 0.019  65  LYS FFF O   
3070 C  CB  . LYS C 67  ? 0.467 0.411 0.184 -0.023 -0.053 -0.068 65  LYS FFF CB  
3071 C  CG  . LYS C 67  ? 0.454 0.408 0.212 0.009  -0.050 -0.016 65  LYS FFF CG  
3072 C  CD  . LYS C 67  ? 0.479 0.489 0.135 0.036  -0.030 -0.054 65  LYS FFF CD  
3073 C  CE  . LYS C 67  ? 0.514 0.559 0.103 0.026  0.009  -0.011 65  LYS FFF CE  
3074 N  NZ  . LYS C 67  ? 0.504 0.625 0.263 0.010  -0.055 -0.034 65  LYS FFF NZ  
3075 N  N   . GLY C 68  ? 0.446 0.406 0.242 0.040  -0.022 -0.032 66  GLY FFF N   
3076 C  CA  . GLY C 68  ? 0.521 0.364 0.281 0.033  -0.079 -0.075 66  GLY FFF CA  
3077 C  C   . GLY C 68  ? 0.480 0.357 0.243 0.053  -0.039 -0.093 66  GLY FFF C   
3078 O  O   . GLY C 68  ? 0.472 0.450 0.319 0.035  0.036  -0.147 66  GLY FFF O   
3079 N  N   . ARG C 69  ? 0.467 0.366 0.168 0.021  -0.039 -0.072 67  ARG FFF N   
3080 C  CA  . ARG C 69  ? 0.498 0.374 0.170 0.010  -0.085 -0.015 67  ARG FFF CA  
3081 C  C   . ARG C 69  ? 0.521 0.325 0.145 0.010  -0.047 -0.032 67  ARG FFF C   
3082 O  O   . ARG C 69  ? 0.550 0.337 0.168 0.041  -0.062 -0.078 67  ARG FFF O   
3083 C  CB  . ARG C 69  ? 0.505 0.343 0.195 0.013  -0.076 -0.018 67  ARG FFF CB  
3084 C  CG  . ARG C 69  ? 0.539 0.335 0.275 0.019  -0.044 0.025  67  ARG FFF CG  
3085 C  CD  . ARG C 69  ? 0.538 0.318 0.295 0.007  -0.040 -0.010 67  ARG FFF CD  
3086 N  NE  . ARG C 69  ? 0.508 0.344 0.232 0.011  -0.052 0.020  67  ARG FFF NE  
3087 C  CZ  . ARG C 69  ? 0.518 0.318 0.234 0.011  -0.092 -0.018 67  ARG FFF CZ  
3088 N  NH1 . ARG C 69  ? 0.525 0.376 0.235 -0.003 -0.088 -0.033 67  ARG FFF NH1 
3089 N  NH2 . ARG C 69  ? 0.530 0.360 0.201 0.004  -0.069 -0.003 67  ARG FFF NH2 
3090 N  N   . PHE C 70  ? 0.479 0.291 0.145 0.010  -0.042 0.006  68  PHE FFF N   
3091 C  CA  . PHE C 70  ? 0.437 0.293 0.152 0.032  -0.065 -0.030 68  PHE FFF CA  
3092 C  C   . PHE C 70  ? 0.431 0.348 0.125 0.030  -0.044 0.025  68  PHE FFF C   
3093 O  O   . PHE C 70  ? 0.407 0.364 0.139 0.012  -0.024 0.010  68  PHE FFF O   
3094 C  CB  . PHE C 70  ? 0.420 0.312 0.113 0.027  -0.070 -0.020 68  PHE FFF CB  
3095 C  CG  . PHE C 70  ? 0.438 0.333 0.132 0.021  -0.054 -0.003 68  PHE FFF CG  
3096 C  CD1 . PHE C 70  ? 0.480 0.344 0.133 0.006  -0.059 -0.017 68  PHE FFF CD1 
3097 C  CD2 . PHE C 70  ? 0.416 0.330 0.134 0.012  -0.068 -0.008 68  PHE FFF CD2 
3098 C  CE1 . PHE C 70  ? 0.453 0.362 0.193 0.007  -0.067 -0.033 68  PHE FFF CE1 
3099 C  CE2 . PHE C 70  ? 0.442 0.357 0.116 -0.007 -0.034 -0.012 68  PHE FFF CE2 
3100 C  CZ  . PHE C 70  ? 0.452 0.353 0.159 0.003  -0.058 -0.003 68  PHE FFF CZ  
3101 N  N   . THR C 71  ? 0.401 0.350 0.091 0.029  -0.055 -0.018 69  THR FFF N   
3102 C  CA  A THR C 71  ? 0.386 0.356 0.126 0.028  -0.045 -0.030 69  THR FFF CA  
3103 C  CA  B THR C 71  ? 0.365 0.360 0.098 0.028  -0.045 -0.045 69  THR FFF CA  
3104 C  C   . THR C 71  ? 0.361 0.343 0.090 0.009  -0.008 -0.008 69  THR FFF C   
3105 O  O   . THR C 71  ? 0.396 0.383 0.111 -0.000 -0.043 -0.010 69  THR FFF O   
3106 C  CB  A THR C 71  ? 0.411 0.434 0.234 0.054  0.020  -0.026 69  THR FFF CB  
3107 C  CB  B THR C 71  ? 0.355 0.412 0.113 0.034  -0.047 -0.057 69  THR FFF CB  
3108 O  OG1 A THR C 71  ? 0.493 0.465 0.148 0.079  0.061  0.030  69  THR FFF OG1 
3109 O  OG1 B THR C 71  ? 0.371 0.415 0.095 0.034  0.011  -0.095 69  THR FFF OG1 
3110 C  CG2 A THR C 71  ? 0.447 0.461 0.268 0.012  -0.004 -0.044 69  THR FFF CG2 
3111 C  CG2 B THR C 71  ? 0.395 0.451 0.135 0.066  -0.027 -0.018 69  THR FFF CG2 
3112 N  N   . VAL C 72  ? 0.382 0.347 0.063 0.026  -0.046 -0.030 70  VAL FFF N   
3113 C  CA  . VAL C 72  ? 0.367 0.307 0.063 0.004  0.003  -0.031 70  VAL FFF CA  
3114 C  C   . VAL C 72  ? 0.326 0.369 0.036 0.044  -0.009 -0.007 70  VAL FFF C   
3115 O  O   . VAL C 72  ? 0.330 0.376 0.073 0.030  -0.013 0.013  70  VAL FFF O   
3116 C  CB  . VAL C 72  ? 0.383 0.318 0.066 -0.000 -0.022 -0.047 70  VAL FFF CB  
3117 C  CG1 . VAL C 72  ? 0.386 0.346 0.084 0.029  -0.006 -0.037 70  VAL FFF CG1 
3118 C  CG2 . VAL C 72  ? 0.372 0.358 0.155 0.009  0.006  -0.002 70  VAL FFF CG2 
3119 N  N   . SER C 73  ? 0.329 0.354 0.067 0.005  -0.058 -0.014 71  SER FFF N   
3120 C  CA  . SER C 73  ? 0.343 0.359 0.107 0.001  -0.007 -0.031 71  SER FFF CA  
3121 C  C   . SER C 73  ? 0.335 0.351 0.042 -0.022 -0.027 -0.031 71  SER FFF C   
3122 O  O   . SER C 73  ? 0.337 0.393 0.043 0.005  -0.035 0.015  71  SER FFF O   
3123 C  CB  . SER C 73  ? 0.366 0.358 0.101 0.004  -0.022 -0.038 71  SER FFF CB  
3124 O  OG  . SER C 73  ? 0.358 0.446 0.069 0.005  -0.011 -0.028 71  SER FFF OG  
3125 N  N   . ARG C 74  ? 0.377 0.382 0.068 -0.004 0.002  0.012  72  ARG FFF N   
3126 C  CA  . ARG C 74  ? 0.353 0.341 0.074 -0.009 0.012  -0.025 72  ARG FFF CA  
3127 C  C   . ARG C 74  ? 0.327 0.408 0.042 0.005  -0.038 0.002  72  ARG FFF C   
3128 O  O   . ARG C 74  ? 0.342 0.434 0.055 0.007  -0.019 0.011  72  ARG FFF O   
3129 C  CB  . ARG C 74  ? 0.370 0.389 0.037 0.029  -0.013 -0.051 72  ARG FFF CB  
3130 C  CG  . ARG C 74  ? 0.401 0.362 0.047 -0.022 -0.020 -0.002 72  ARG FFF CG  
3131 C  CD  . ARG C 74  ? 0.414 0.331 0.081 -0.017 -0.011 -0.002 72  ARG FFF CD  
3132 N  NE  . ARG C 74  ? 0.401 0.361 0.066 -0.019 -0.030 -0.002 72  ARG FFF NE  
3133 C  CZ  . ARG C 74  ? 0.375 0.386 0.084 -0.017 -0.085 -0.002 72  ARG FFF CZ  
3134 N  NH1 . ARG C 74  ? 0.447 0.407 0.155 0.030  -0.070 -0.045 72  ARG FFF NH1 
3135 N  NH2 . ARG C 74  ? 0.413 0.397 0.142 -0.047 -0.080 0.025  72  ARG FFF NH2 
3136 N  N   . ASN C 75  ? 0.293 0.375 0.019 0.007  -0.011 -0.013 73  ASN FFF N   
3137 C  CA  . ASN C 75  ? 0.334 0.422 0.033 -0.009 0.021  -0.015 73  ASN FFF CA  
3138 C  C   . ASN C 75  ? 0.333 0.432 0.050 -0.016 -0.020 0.007  73  ASN FFF C   
3139 O  O   . ASN C 75  ? 0.361 0.409 0.052 -0.013 -0.014 0.013  73  ASN FFF O   
3140 C  CB  . ASN C 75  ? 0.340 0.383 0.092 -0.022 -0.007 -0.026 73  ASN FFF CB  
3141 C  CG  . ASN C 75  ? 0.347 0.385 0.088 -0.021 -0.010 -0.030 73  ASN FFF CG  
3142 O  OD1 . ASN C 75  ? 0.380 0.362 0.056 0.009  -0.056 -0.000 73  ASN FFF OD1 
3143 N  ND2 . ASN C 75  ? 0.359 0.408 0.099 -0.012 -0.025 -0.038 73  ASN FFF ND2 
3144 N  N   . ASN C 76  ? 0.370 0.463 0.048 -0.032 -0.007 -0.016 74  ASN FFF N   
3145 C  CA  . ASN C 76  ? 0.360 0.464 0.085 -0.029 -0.021 0.004  74  ASN FFF CA  
3146 C  C   . ASN C 76  ? 0.342 0.453 0.036 -0.041 0.004  0.045  74  ASN FFF C   
3147 O  O   . ASN C 76  ? 0.331 0.492 0.136 -0.055 -0.036 0.030  74  ASN FFF O   
3148 C  CB  . ASN C 76  ? 0.412 0.512 0.116 -0.022 0.003  -0.072 74  ASN FFF CB  
3149 C  CG  . ASN C 76  ? 0.434 0.556 0.129 0.009  0.035  -0.020 74  ASN FFF CG  
3150 O  OD1 . ASN C 76  ? 0.406 0.553 0.171 0.028  0.019  0.009  74  ASN FFF OD1 
3151 N  ND2 . ASN C 76  ? 0.515 0.566 0.117 0.019  0.053  -0.005 74  ASN FFF ND2 
3152 N  N   . ALA C 77  ? 0.352 0.426 0.050 -0.043 -0.014 0.008  75  ALA FFF N   
3153 C  CA  . ALA C 77  ? 0.357 0.435 0.058 -0.035 -0.013 0.042  75  ALA FFF CA  
3154 C  C   . ALA C 77  ? 0.362 0.410 0.078 -0.014 -0.021 0.015  75  ALA FFF C   
3155 O  O   . ALA C 77  ? 0.400 0.407 0.086 -0.019 -0.014 0.006  75  ALA FFF O   
3156 C  CB  . ALA C 77  ? 0.364 0.460 0.041 -0.040 -0.015 0.040  75  ALA FFF CB  
3157 N  N   . LYS C 78  ? 0.377 0.372 0.063 -0.016 -0.013 -0.008 76  LYS FFF N   
3158 C  CA  . LYS C 78  ? 0.350 0.376 0.053 -0.020 -0.034 0.004  76  LYS FFF CA  
3159 C  C   . LYS C 78  ? 0.362 0.331 0.068 -0.017 -0.017 -0.036 76  LYS FFF C   
3160 O  O   . LYS C 78  ? 0.372 0.383 0.103 -0.010 0.000  -0.070 76  LYS FFF O   
3161 C  CB  . LYS C 78  ? 0.402 0.359 0.051 -0.048 -0.005 0.023  76  LYS FFF CB  
3162 C  CG  . LYS C 78  ? 0.396 0.382 0.099 -0.049 -0.020 0.017  76  LYS FFF CG  
3163 C  CD  . LYS C 78  ? 0.449 0.411 0.161 -0.077 -0.065 0.016  76  LYS FFF CD  
3164 C  CE  . LYS C 78  ? 0.483 0.547 0.294 -0.072 -0.007 -0.011 76  LYS FFF CE  
3165 N  NZ  . LYS C 78  ? 0.609 0.646 0.456 -0.128 0.001  -0.108 76  LYS FFF NZ  
3166 N  N   . ASP C 79  ? 0.370 0.371 0.050 -0.008 -0.033 -0.026 77  ASP FFF N   
3167 C  CA  . ASP C 79  ? 0.374 0.343 0.070 0.012  -0.037 -0.030 77  ASP FFF CA  
3168 C  C   . ASP C 79  ? 0.330 0.375 0.040 -0.004 -0.050 -0.021 77  ASP FFF C   
3169 O  O   . ASP C 79  ? 0.339 0.347 0.093 -0.001 -0.023 0.010  77  ASP FFF O   
3170 C  CB  . ASP C 79  ? 0.359 0.368 0.067 -0.005 -0.023 -0.004 77  ASP FFF CB  
3171 C  CG  . ASP C 79  ? 0.414 0.372 0.034 -0.004 -0.025 0.022  77  ASP FFF CG  
3172 O  OD1 . ASP C 79  ? 0.391 0.388 0.022 0.018  -0.007 0.014  77  ASP FFF OD1 
3173 O  OD2 . ASP C 79  ? 0.397 0.373 0.041 -0.043 -0.046 0.029  77  ASP FFF OD2 
3174 N  N   . THR C 80  ? 0.368 0.355 0.026 -0.012 -0.037 0.002  78  THR FFF N   
3175 C  CA  . THR C 80  ? 0.332 0.345 0.038 -0.011 -0.040 -0.027 78  THR FFF CA  
3176 C  C   . THR C 80  ? 0.311 0.388 0.033 -0.032 -0.041 -0.006 78  THR FFF C   
3177 O  O   . THR C 80  ? 0.339 0.389 0.026 -0.001 -0.008 0.026  78  THR FFF O   
3178 C  CB  . THR C 80  ? 0.329 0.345 0.061 -0.001 -0.053 -0.043 78  THR FFF CB  
3179 O  OG1 . THR C 80  ? 0.362 0.380 0.058 0.011  -0.032 -0.010 78  THR FFF OG1 
3180 C  CG2 . THR C 80  ? 0.358 0.360 0.047 0.002  -0.033 -0.000 78  THR FFF CG2 
3181 N  N   . VAL C 81  ? 0.343 0.355 0.068 0.010  0.004  0.007  79  VAL FFF N   
3182 C  CA  . VAL C 81  ? 0.319 0.359 0.063 0.021  -0.028 -0.043 79  VAL FFF CA  
3183 C  C   . VAL C 81  ? 0.323 0.369 0.022 0.010  -0.027 -0.004 79  VAL FFF C   
3184 O  O   . VAL C 81  ? 0.321 0.341 0.122 0.002  -0.024 0.021  79  VAL FFF O   
3185 C  CB  . VAL C 81  ? 0.412 0.351 0.035 -0.007 -0.026 -0.013 79  VAL FFF CB  
3186 C  CG1 . VAL C 81  ? 0.397 0.388 0.073 0.045  -0.037 -0.027 79  VAL FFF CG1 
3187 C  CG2 . VAL C 81  ? 0.372 0.376 0.028 -0.009 -0.016 0.024  79  VAL FFF CG2 
3188 N  N   . TYR C 82  ? 0.336 0.347 0.067 0.005  -0.022 -0.023 80  TYR FFF N   
3189 C  CA  . TYR C 82  ? 0.354 0.327 0.100 0.028  -0.048 0.006  80  TYR FFF CA  
3190 C  C   . TYR C 82  ? 0.374 0.346 0.050 -0.012 -0.013 -0.006 80  TYR FFF C   
3191 O  O   . TYR C 82  ? 0.381 0.354 0.134 -0.000 -0.053 0.017  80  TYR FFF O   
3192 C  CB  . TYR C 82  ? 0.379 0.363 0.094 0.026  -0.027 0.012  80  TYR FFF CB  
3193 C  CG  . TYR C 82  ? 0.375 0.351 0.091 0.004  -0.023 0.012  80  TYR FFF CG  
3194 C  CD1 . TYR C 82  ? 0.355 0.374 0.061 -0.013 0.011  -0.004 80  TYR FFF CD1 
3195 C  CD2 . TYR C 82  ? 0.376 0.401 0.101 -0.013 -0.061 0.062  80  TYR FFF CD2 
3196 C  CE1 . TYR C 82  ? 0.396 0.393 0.073 -0.010 0.001  0.010  80  TYR FFF CE1 
3197 C  CE2 . TYR C 82  ? 0.381 0.391 0.125 -0.023 -0.023 0.092  80  TYR FFF CE2 
3198 C  CZ  . TYR C 82  ? 0.390 0.393 0.049 -0.006 -0.011 0.023  80  TYR FFF CZ  
3199 O  OH  . TYR C 82  ? 0.388 0.440 0.062 0.010  -0.022 0.042  80  TYR FFF OH  
3200 N  N   . LEU C 83  ? 0.372 0.319 0.077 -0.005 -0.035 -0.008 81  LEU FFF N   
3201 C  CA  . LEU C 83  ? 0.359 0.319 0.072 -0.001 -0.013 -0.004 81  LEU FFF CA  
3202 C  C   . LEU C 83  ? 0.361 0.321 0.137 -0.012 -0.004 -0.025 81  LEU FFF C   
3203 O  O   . LEU C 83  ? 0.369 0.365 0.106 -0.007 -0.016 -0.039 81  LEU FFF O   
3204 C  CB  . LEU C 83  ? 0.342 0.336 0.088 -0.015 -0.013 0.003  81  LEU FFF CB  
3205 C  CG  . LEU C 83  ? 0.376 0.311 0.110 -0.017 -0.020 0.004  81  LEU FFF CG  
3206 C  CD1 . LEU C 83  ? 0.366 0.383 0.093 -0.007 -0.002 -0.033 81  LEU FFF CD1 
3207 C  CD2 . LEU C 83  ? 0.421 0.363 0.085 -0.017 -0.003 0.045  81  LEU FFF CD2 
3208 N  N   . HIS C 84  ? 0.372 0.326 0.119 0.000  -0.024 -0.008 82  HIS FFF N   
3209 C  CA  . HIS C 84  ? 0.389 0.329 0.122 0.005  -0.033 -0.026 82  HIS FFF CA  
3210 C  C   . HIS C 84  ? 0.421 0.348 0.143 0.000  -0.041 -0.008 82  HIS FFF C   
3211 O  O   . HIS C 84  ? 0.414 0.376 0.175 0.025  -0.056 -0.020 82  HIS FFF O   
3212 C  CB  . HIS C 84  ? 0.398 0.342 0.131 0.008  -0.023 -0.037 82  HIS FFF CB  
3213 C  CG  . HIS C 84  ? 0.438 0.369 0.157 0.005  -0.056 -0.005 82  HIS FFF CG  
3214 N  ND1 . HIS C 84  ? 0.447 0.403 0.151 0.039  -0.042 -0.054 82  HIS FFF ND1 
3215 C  CD2 . HIS C 84  ? 0.459 0.359 0.205 0.019  -0.055 -0.028 82  HIS FFF CD2 
3216 C  CE1 . HIS C 84  ? 0.502 0.396 0.163 0.031  -0.067 -0.052 82  HIS FFF CE1 
3217 N  NE2 . HIS C 84  ? 0.400 0.388 0.181 0.039  -0.045 -0.047 82  HIS FFF NE2 
3218 N  N   . MET C 85  ? 0.448 0.361 0.115 -0.024 -0.029 -0.055 83  MET FFF N   
3219 C  CA  . MET C 85  ? 0.449 0.339 0.185 -0.028 -0.060 -0.001 83  MET FFF CA  
3220 C  C   . MET C 85  ? 0.482 0.387 0.169 -0.009 -0.066 -0.049 83  MET FFF C   
3221 O  O   . MET C 85  ? 0.533 0.394 0.231 -0.001 -0.107 -0.087 83  MET FFF O   
3222 C  CB  . MET C 85  ? 0.469 0.363 0.210 -0.035 -0.009 -0.047 83  MET FFF CB  
3223 C  CG  . MET C 85  ? 0.496 0.319 0.222 -0.023 -0.101 -0.035 83  MET FFF CG  
3224 S  SD  . MET C 85  ? 0.490 0.421 0.448 -0.020 0.051  -0.031 83  MET FFF SD  
3225 C  CE  . MET C 85  ? 0.678 0.467 0.306 0.041  -0.202 0.005  83  MET FFF CE  
3226 N  N   . ASN C 86  ? 0.486 0.420 0.234 0.022  -0.067 -0.056 84  ASN FFF N   
3227 C  CA  . ASN C 86  ? 0.533 0.383 0.244 0.008  -0.075 -0.038 84  ASN FFF CA  
3228 C  C   . ASN C 86  ? 0.510 0.356 0.263 0.044  -0.093 -0.028 84  ASN FFF C   
3229 O  O   . ASN C 86  ? 0.570 0.371 0.291 0.009  -0.074 -0.065 84  ASN FFF O   
3230 C  CB  . ASN C 86  ? 0.521 0.434 0.268 -0.004 -0.090 -0.055 84  ASN FFF CB  
3231 C  CG  . ASN C 86  ? 0.577 0.473 0.297 -0.016 -0.094 -0.024 84  ASN FFF CG  
3232 O  OD1 . ASN C 86  ? 0.636 0.545 0.222 0.063  -0.052 -0.006 84  ASN FFF OD1 
3233 N  ND2 . ASN C 86  ? 0.582 0.476 0.426 -0.028 -0.053 -0.038 84  ASN FFF ND2 
3234 N  N   . SER C 87  ? 0.538 0.379 0.263 0.029  -0.079 -0.071 85  SER FFF N   
3235 C  CA  . SER C 87  ? 0.576 0.365 0.283 0.020  -0.086 -0.068 85  SER FFF CA  
3236 C  C   . SER C 87  ? 0.543 0.396 0.306 0.006  -0.092 -0.045 85  SER FFF C   
3237 O  O   . SER C 87  ? 0.614 0.394 0.306 0.016  -0.098 -0.037 85  SER FFF O   
3238 C  CB  . SER C 87  ? 0.513 0.446 0.383 0.024  -0.068 -0.033 85  SER FFF CB  
3239 O  OG  . SER C 87  ? 0.585 0.503 0.357 0.019  -0.029 -0.034 85  SER FFF OG  
3240 N  N   . LEU C 88  ? 0.562 0.370 0.287 0.006  -0.107 -0.059 86  LEU FFF N   
3241 C  CA  . LEU C 88  ? 0.557 0.371 0.271 -0.022 -0.094 -0.024 86  LEU FFF CA  
3242 C  C   . LEU C 88  ? 0.594 0.375 0.286 -0.026 -0.107 -0.009 86  LEU FFF C   
3243 O  O   . LEU C 88  ? 0.612 0.354 0.334 -0.025 -0.035 0.023  86  LEU FFF O   
3244 C  CB  . LEU C 88  ? 0.564 0.363 0.251 -0.008 -0.082 -0.029 86  LEU FFF CB  
3245 C  CG  . LEU C 88  ? 0.515 0.359 0.204 -0.016 -0.082 -0.034 86  LEU FFF CG  
3246 C  CD1 . LEU C 88  ? 0.544 0.419 0.278 -0.023 -0.127 0.027  86  LEU FFF CD1 
3247 C  CD2 . LEU C 88  ? 0.544 0.375 0.187 -0.016 -0.044 -0.009 86  LEU FFF CD2 
3248 N  N   . LYS C 89  ? 0.631 0.355 0.295 -0.011 -0.087 0.001  87  LYS FFF N   
3249 C  CA  . LYS C 89  ? 0.625 0.403 0.329 -0.042 -0.085 0.024  87  LYS FFF CA  
3250 C  C   . LYS C 89  ? 0.608 0.354 0.294 -0.045 -0.122 0.037  87  LYS FFF C   
3251 O  O   . LYS C 89  ? 0.594 0.363 0.291 -0.039 -0.100 0.068  87  LYS FFF O   
3252 C  CB  . LYS C 89  ? 0.649 0.532 0.336 0.013  -0.110 0.126  87  LYS FFF CB  
3253 C  CG  . LYS C 89  ? 0.653 0.632 0.500 0.033  -0.099 0.079  87  LYS FFF CG  
3254 C  CD  . LYS C 89  ? 0.786 0.660 0.600 -0.016 -0.221 0.124  87  LYS FFF CD  
3255 C  CE  . LYS C 89  ? 0.758 0.749 0.613 -0.080 -0.270 0.018  87  LYS FFF CE  
3256 N  NZ  . LYS C 89  ? 0.921 0.569 0.656 -0.197 -0.317 0.059  87  LYS FFF NZ  
3257 N  N   . PRO C 90  ? 0.631 0.385 0.365 -0.062 -0.110 0.060  88  PRO FFF N   
3258 C  CA  . PRO C 90  ? 0.658 0.415 0.341 -0.053 -0.056 0.114  88  PRO FFF CA  
3259 C  C   . PRO C 90  ? 0.583 0.404 0.387 -0.064 -0.081 0.098  88  PRO FFF C   
3260 O  O   . PRO C 90  ? 0.581 0.452 0.376 -0.051 -0.079 0.151  88  PRO FFF O   
3261 C  CB  . PRO C 90  ? 0.698 0.418 0.496 -0.093 -0.042 0.101  88  PRO FFF CB  
3262 C  CG  . PRO C 90  ? 0.723 0.386 0.450 -0.087 -0.104 0.082  88  PRO FFF CG  
3263 C  CD  . PRO C 90  ? 0.689 0.391 0.399 -0.057 -0.085 0.091  88  PRO FFF CD  
3264 N  N   . GLU C 91  ? 0.601 0.405 0.339 -0.042 -0.081 0.123  89  GLU FFF N   
3265 C  CA  A GLU C 91  ? 0.590 0.445 0.337 -0.023 -0.059 0.104  89  GLU FFF CA  
3266 C  CA  B GLU C 91  ? 0.576 0.457 0.309 -0.014 -0.078 0.113  89  GLU FFF CA  
3267 C  C   . GLU C 91  ? 0.586 0.408 0.272 -0.013 -0.041 0.049  89  GLU FFF C   
3268 O  O   . GLU C 91  ? 0.567 0.431 0.204 -0.034 -0.037 0.051  89  GLU FFF O   
3269 C  CB  A GLU C 91  ? 0.654 0.499 0.314 0.001  -0.082 0.120  89  GLU FFF CB  
3270 C  CB  B GLU C 91  ? 0.650 0.519 0.272 0.014  -0.090 0.128  89  GLU FFF CB  
3271 C  CG  A GLU C 91  ? 0.717 0.497 0.391 -0.011 -0.047 0.135  89  GLU FFF CG  
3272 C  CG  B GLU C 91  ? 0.648 0.576 0.304 0.055  -0.077 0.112  89  GLU FFF CG  
3273 C  CD  A GLU C 91  ? 0.678 0.479 0.397 0.009  -0.043 0.168  89  GLU FFF CD  
3274 C  CD  B GLU C 91  ? 0.600 0.753 0.350 0.113  -0.060 0.124  89  GLU FFF CD  
3275 O  OE1 A GLU C 91  ? 0.707 0.464 0.382 -0.015 -0.133 0.188  89  GLU FFF OE1 
3276 O  OE1 B GLU C 91  ? 0.752 0.920 0.320 0.135  -0.183 0.151  89  GLU FFF OE1 
3277 O  OE2 A GLU C 91  ? 0.818 0.521 0.538 -0.040 0.006  0.216  89  GLU FFF OE2 
3278 O  OE2 B GLU C 91  ? 0.527 0.838 0.685 0.126  -0.124 0.094  89  GLU FFF OE2 
3279 N  N   . ASP C 92  ? 0.535 0.344 0.270 -0.055 -0.054 0.041  90  ASP FFF N   
3280 C  CA  . ASP C 92  ? 0.524 0.346 0.215 -0.027 -0.076 0.029  90  ASP FFF CA  
3281 C  C   . ASP C 92  ? 0.480 0.321 0.209 -0.042 -0.034 -0.008 90  ASP FFF C   
3282 O  O   . ASP C 92  ? 0.448 0.352 0.249 -0.025 -0.051 0.023  90  ASP FFF O   
3283 C  CB  . ASP C 92  ? 0.505 0.336 0.262 -0.034 -0.060 0.003  90  ASP FFF CB  
3284 C  CG  . ASP C 92  ? 0.516 0.303 0.312 -0.049 -0.099 -0.039 90  ASP FFF CG  
3285 O  OD1 . ASP C 92  ? 0.510 0.342 0.190 -0.015 -0.087 0.009  90  ASP FFF OD1 
3286 O  OD2 . ASP C 92  ? 0.586 0.357 0.245 0.018  -0.096 -0.007 90  ASP FFF OD2 
3287 N  N   . THR C 93  ? 0.494 0.358 0.211 -0.056 -0.042 0.053  91  THR FFF N   
3288 C  CA  . THR C 93  ? 0.490 0.401 0.243 -0.066 -0.054 0.032  91  THR FFF CA  
3289 C  C   . THR C 93  ? 0.485 0.360 0.240 -0.068 -0.042 0.070  91  THR FFF C   
3290 O  O   . THR C 93  ? 0.508 0.396 0.237 -0.058 -0.036 0.050  91  THR FFF O   
3291 C  CB  . THR C 93  ? 0.534 0.395 0.265 -0.087 -0.066 0.038  91  THR FFF CB  
3292 O  OG1 . THR C 93  ? 0.505 0.374 0.281 -0.096 -0.058 0.047  91  THR FFF OG1 
3293 C  CG2 . THR C 93  ? 0.523 0.434 0.268 -0.103 -0.068 0.017  91  THR FFF CG2 
3294 N  N   . ALA C 94  ? 0.456 0.383 0.196 -0.061 -0.027 0.071  92  ALA FFF N   
3295 C  CA  . ALA C 94  ? 0.434 0.393 0.192 -0.077 -0.026 0.053  92  ALA FFF CA  
3296 C  C   . ALA C 94  ? 0.438 0.375 0.167 -0.055 -0.025 0.023  92  ALA FFF C   
3297 O  O   . ALA C 94  ? 0.411 0.370 0.160 -0.026 -0.039 0.032  92  ALA FFF O   
3298 C  CB  . ALA C 94  ? 0.466 0.374 0.146 -0.092 -0.015 0.049  92  ALA FFF CB  
3299 N  N   . VAL C 95  ? 0.413 0.369 0.141 -0.072 -0.040 0.011  93  VAL FFF N   
3300 C  CA  . VAL C 95  ? 0.404 0.377 0.138 -0.054 0.008  0.023  93  VAL FFF CA  
3301 C  C   . VAL C 95  ? 0.390 0.389 0.114 -0.052 0.004  0.030  93  VAL FFF C   
3302 O  O   . VAL C 95  ? 0.386 0.389 0.115 -0.075 0.027  0.007  93  VAL FFF O   
3303 C  CB  . VAL C 95  ? 0.389 0.406 0.139 -0.038 -0.021 0.049  93  VAL FFF CB  
3304 C  CG1 . VAL C 95  ? 0.362 0.420 0.167 -0.043 -0.018 0.070  93  VAL FFF CG1 
3305 C  CG2 . VAL C 95  ? 0.405 0.432 0.196 -0.055 0.009  0.046  93  VAL FFF CG2 
3306 N  N   . TYR C 96  ? 0.380 0.382 0.104 -0.024 -0.005 0.018  94  TYR FFF N   
3307 C  CA  . TYR C 96  ? 0.369 0.352 0.101 0.003  0.007  -0.020 94  TYR FFF CA  
3308 C  C   . TYR C 96  ? 0.300 0.338 0.113 -0.029 0.020  -0.023 94  TYR FFF C   
3309 O  O   . TYR C 96  ? 0.355 0.353 0.168 -0.029 -0.036 0.000  94  TYR FFF O   
3310 C  CB  . TYR C 96  ? 0.378 0.339 0.093 -0.003 -0.018 -0.024 94  TYR FFF CB  
3311 C  CG  . TYR C 96  ? 0.396 0.327 0.100 -0.018 -0.013 -0.009 94  TYR FFF CG  
3312 C  CD1 . TYR C 96  ? 0.392 0.352 0.126 -0.044 -0.028 -0.021 94  TYR FFF CD1 
3313 C  CD2 . TYR C 96  ? 0.382 0.302 0.126 -0.034 0.005  -0.023 94  TYR FFF CD2 
3314 C  CE1 . TYR C 96  ? 0.438 0.384 0.127 -0.046 -0.023 0.025  94  TYR FFF CE1 
3315 C  CE2 . TYR C 96  ? 0.393 0.356 0.126 -0.024 -0.003 0.025  94  TYR FFF CE2 
3316 C  CZ  . TYR C 96  ? 0.423 0.329 0.146 -0.020 -0.006 0.011  94  TYR FFF CZ  
3317 O  OH  . TYR C 96  ? 0.437 0.362 0.156 -0.006 -0.010 0.036  94  TYR FFF OH  
3318 N  N   . TYR C 97  ? 0.335 0.365 0.073 -0.022 -0.015 -0.031 95  TYR FFF N   
3319 C  CA  . TYR C 97  ? 0.364 0.361 0.066 -0.018 -0.011 -0.033 95  TYR FFF CA  
3320 C  C   . TYR C 97  ? 0.340 0.312 0.099 0.024  0.001  0.014  95  TYR FFF C   
3321 O  O   . TYR C 97  ? 0.346 0.361 0.095 -0.019 -0.013 0.052  95  TYR FFF O   
3322 C  CB  . TYR C 97  ? 0.367 0.362 0.065 -0.017 -0.002 -0.025 95  TYR FFF CB  
3323 C  CG  . TYR C 97  ? 0.359 0.351 0.092 -0.012 0.005  -0.029 95  TYR FFF CG  
3324 C  CD1 . TYR C 97  ? 0.380 0.386 0.117 -0.003 -0.012 0.006  95  TYR FFF CD1 
3325 C  CD2 . TYR C 97  ? 0.372 0.397 0.119 0.007  0.010  0.011  95  TYR FFF CD2 
3326 C  CE1 . TYR C 97  ? 0.403 0.414 0.152 -0.030 0.004  0.015  95  TYR FFF CE1 
3327 C  CE2 . TYR C 97  ? 0.359 0.387 0.121 -0.004 -0.018 -0.042 95  TYR FFF CE2 
3328 C  CZ  . TYR C 97  ? 0.376 0.430 0.200 -0.041 0.015  0.009  95  TYR FFF CZ  
3329 O  OH  . TYR C 97  ? 0.391 0.533 0.218 -0.074 0.046  -0.039 95  TYR FFF OH  
3330 N  N   . CYS C 98  ? 0.333 0.351 0.047 -0.011 -0.034 0.006  96  CYS FFF N   
3331 C  CA  . CYS C 98  ? 0.321 0.356 0.059 -0.013 -0.009 -0.035 96  CYS FFF CA  
3332 C  C   . CYS C 98  ? 0.318 0.332 0.043 -0.020 0.009  0.012  96  CYS FFF C   
3333 O  O   . CYS C 98  ? 0.333 0.355 0.051 -0.000 -0.013 -0.026 96  CYS FFF O   
3334 C  CB  . CYS C 98  ? 0.339 0.396 0.070 0.016  0.008  -0.019 96  CYS FFF CB  
3335 S  SG  . CYS C 98  ? 0.399 0.403 0.093 -0.006 -0.028 0.005  96  CYS FFF SG  
3336 N  N   . ALA C 99  ? 0.330 0.342 0.032 -0.005 -0.021 0.006  97  ALA FFF N   
3337 C  CA  . ALA C 99  ? 0.348 0.343 0.058 0.003  0.000  -0.003 97  ALA FFF CA  
3338 C  C   . ALA C 99  ? 0.337 0.316 0.059 0.020  -0.000 0.042  97  ALA FFF C   
3339 O  O   . ALA C 99  ? 0.324 0.319 0.062 0.011  -0.042 -0.001 97  ALA FFF O   
3340 C  CB  . ALA C 99  ? 0.360 0.359 0.054 0.004  0.020  -0.045 97  ALA FFF CB  
3341 N  N   . ILE C 100 ? 0.323 0.334 0.059 0.010  -0.010 0.006  98  ILE FFF N   
3342 C  CA  . ILE C 100 ? 0.344 0.276 0.097 0.016  -0.001 -0.023 98  ILE FFF CA  
3343 C  C   . ILE C 100 ? 0.314 0.337 0.075 -0.004 -0.008 -0.013 98  ILE FFF C   
3344 O  O   . ILE C 100 ? 0.332 0.363 0.065 0.012  -0.000 -0.020 98  ILE FFF O   
3345 C  CB  . ILE C 100 ? 0.359 0.326 0.067 0.006  -0.001 -0.011 98  ILE FFF CB  
3346 C  CG1 . ILE C 100 ? 0.353 0.361 0.142 0.009  -0.014 0.014  98  ILE FFF CG1 
3347 C  CG2 . ILE C 100 ? 0.390 0.333 0.078 0.004  -0.005 -0.032 98  ILE FFF CG2 
3348 C  CD1 . ILE C 100 ? 0.400 0.359 0.259 0.003  -0.012 0.047  98  ILE FFF CD1 
3349 N  N   . THR C 101 ? 0.323 0.327 0.067 -0.007 0.002  -0.048 99  THR FFF N   
3350 C  CA  . THR C 101 ? 0.348 0.306 0.082 0.021  -0.024 -0.056 99  THR FFF CA  
3351 C  C   . THR C 101 ? 0.340 0.309 0.059 0.032  -0.040 -0.011 99  THR FFF C   
3352 O  O   . THR C 101 ? 0.367 0.316 0.105 0.006  -0.002 -0.043 99  THR FFF O   
3353 C  CB  . THR C 101 ? 0.369 0.270 0.084 0.020  -0.010 -0.051 99  THR FFF CB  
3354 O  OG1 . THR C 101 ? 0.366 0.305 0.055 -0.006 -0.025 -0.036 99  THR FFF OG1 
3355 C  CG2 . THR C 101 ? 0.344 0.329 0.086 0.009  -0.054 -0.014 99  THR FFF CG2 
3356 N  N   . THR C 102 ? 0.371 0.308 0.120 0.037  -0.010 -0.027 100 THR FFF N   
3357 C  CA  . THR C 102 ? 0.382 0.339 0.117 0.010  -0.066 -0.006 100 THR FFF CA  
3358 C  C   . THR C 102 ? 0.349 0.313 0.116 0.020  -0.053 -0.029 100 THR FFF C   
3359 O  O   . THR C 102 ? 0.380 0.330 0.164 -0.005 -0.066 -0.021 100 THR FFF O   
3360 C  CB  . THR C 102 ? 0.421 0.448 0.142 0.089  -0.036 -0.067 100 THR FFF CB  
3361 O  OG1 . THR C 102 ? 0.408 0.437 0.188 0.068  0.017  -0.050 100 THR FFF OG1 
3362 C  CG2 . THR C 102 ? 0.500 0.452 0.270 0.049  -0.136 -0.013 100 THR FFF CG2 
3363 N  N   . ILE C 103 ? 0.360 0.315 0.125 -0.011 -0.045 -0.028 101 ILE FFF N   
3364 C  CA  . ILE C 103 ? 0.353 0.310 0.121 0.009  -0.037 -0.023 101 ILE FFF CA  
3365 C  C   . ILE C 103 ? 0.341 0.312 0.072 -0.008 -0.004 0.011  101 ILE FFF C   
3366 O  O   . ILE C 103 ? 0.356 0.323 0.062 0.001  -0.024 -0.005 101 ILE FFF O   
3367 C  CB  . ILE C 103 ? 0.369 0.352 0.073 -0.004 -0.044 -0.032 101 ILE FFF CB  
3368 C  CG1 . ILE C 103 ? 0.368 0.383 0.119 0.000  -0.025 -0.016 101 ILE FFF CG1 
3369 C  CG2 . ILE C 103 ? 0.401 0.424 0.039 0.009  -0.005 -0.012 101 ILE FFF CG2 
3370 C  CD1 . ILE C 103 ? 0.393 0.457 0.168 -0.053 0.013  -0.044 101 ILE FFF CD1 
3371 N  N   . VAL C 104 ? 0.369 0.295 0.066 -0.003 -0.035 -0.016 102 VAL FFF N   
3372 C  CA  . VAL C 104 ? 0.364 0.309 0.061 0.007  -0.058 -0.013 102 VAL FFF CA  
3373 C  C   . VAL C 104 ? 0.367 0.301 0.077 0.021  -0.043 0.005  102 VAL FFF C   
3374 O  O   . VAL C 104 ? 0.385 0.345 0.053 -0.012 -0.031 0.003  102 VAL FFF O   
3375 C  CB  . VAL C 104 ? 0.379 0.313 0.079 -0.000 -0.058 -0.006 102 VAL FFF CB  
3376 C  CG1 . VAL C 104 ? 0.381 0.326 0.083 0.001  -0.035 0.005  102 VAL FFF CG1 
3377 C  CG2 . VAL C 104 ? 0.368 0.327 0.116 0.006  -0.046 0.033  102 VAL FFF CG2 
3378 N  N   . ARG C 105 ? 0.362 0.302 0.071 0.029  -0.031 -0.025 103 ARG FFF N   
3379 C  CA  . ARG C 105 ? 0.365 0.316 0.080 0.027  -0.039 -0.016 103 ARG FFF CA  
3380 C  C   . ARG C 105 ? 0.345 0.316 0.071 0.004  -0.040 -0.011 103 ARG FFF C   
3381 O  O   . ARG C 105 ? 0.360 0.329 0.075 -0.006 -0.031 -0.025 103 ARG FFF O   
3382 C  CB  . ARG C 105 ? 0.349 0.325 0.080 0.019  -0.075 0.003  103 ARG FFF CB  
3383 C  CG  . ARG C 105 ? 0.356 0.365 0.090 0.016  -0.037 0.022  103 ARG FFF CG  
3384 C  CD  . ARG C 105 ? 0.356 0.353 0.088 0.022  -0.054 0.036  103 ARG FFF CD  
3385 N  NE  . ARG C 105 ? 0.363 0.373 0.077 0.016  -0.030 0.007  103 ARG FFF NE  
3386 C  CZ  . ARG C 105 ? 0.352 0.372 0.068 0.009  -0.022 0.014  103 ARG FFF CZ  
3387 N  NH1 . ARG C 105 ? 0.323 0.431 0.072 -0.011 0.003  -0.005 103 ARG FFF NH1 
3388 N  NH2 . ARG C 105 ? 0.355 0.444 0.040 0.012  -0.010 -0.005 103 ARG FFF NH2 
3389 N  N   . ALA C 106 ? 0.342 0.347 0.018 -0.020 -0.018 -0.004 104 ALA FFF N   
3390 C  CA  . ALA C 106 ? 0.347 0.346 0.043 0.005  -0.028 -0.005 104 ALA FFF CA  
3391 C  C   . ALA C 106 ? 0.302 0.348 0.063 -0.021 -0.003 0.008  104 ALA FFF C   
3392 O  O   . ALA C 106 ? 0.354 0.346 0.064 0.025  -0.003 0.027  104 ALA FFF O   
3393 C  CB  . ALA C 106 ? 0.328 0.311 0.071 0.006  -0.028 -0.001 104 ALA FFF CB  
3394 N  N   . TYR C 107 ? 0.324 0.343 0.038 -0.010 0.019  -0.023 105 TYR FFF N   
3395 C  CA  . TYR C 107 ? 0.357 0.350 0.022 -0.003 -0.006 0.001  105 TYR FFF CA  
3396 C  C   . TYR C 107 ? 0.352 0.295 0.077 0.006  -0.010 -0.014 105 TYR FFF C   
3397 O  O   . TYR C 107 ? 0.330 0.341 0.062 0.014  -0.030 0.006  105 TYR FFF O   
3398 C  CB  . TYR C 107 ? 0.376 0.351 0.033 -0.001 -0.002 0.027  105 TYR FFF CB  
3399 C  CG  . TYR C 107 ? 0.388 0.343 0.018 -0.001 -0.009 0.022  105 TYR FFF CG  
3400 C  CD1 . TYR C 107 ? 0.355 0.384 0.033 -0.006 0.003  -0.016 105 TYR FFF CD1 
3401 C  CD2 . TYR C 107 ? 0.370 0.347 0.035 -0.018 -0.028 0.019  105 TYR FFF CD2 
3402 C  CE1 . TYR C 107 ? 0.354 0.414 0.085 0.006  -0.024 -0.001 105 TYR FFF CE1 
3403 C  CE2 . TYR C 107 ? 0.373 0.396 0.072 -0.001 -0.039 -0.043 105 TYR FFF CE2 
3404 C  CZ  . TYR C 107 ? 0.328 0.402 0.133 -0.021 -0.010 -0.005 105 TYR FFF CZ  
3405 O  OH  . TYR C 107 ? 0.368 0.556 0.170 -0.004 -0.061 -0.043 105 TYR FFF OH  
3406 N  N   . TYR C 108 ? 0.357 0.306 0.062 0.011  0.007  -0.004 106 TYR FFF N   
3407 C  CA  . TYR C 108 ? 0.363 0.328 0.034 0.023  -0.001 0.017  106 TYR FFF CA  
3408 C  C   . TYR C 108 ? 0.320 0.315 0.063 0.047  0.015  0.013  106 TYR FFF C   
3409 O  O   . TYR C 108 ? 0.340 0.336 0.032 -0.000 -0.009 -0.002 106 TYR FFF O   
3410 C  CB  . TYR C 108 ? 0.328 0.333 0.053 0.011  0.003  -0.008 106 TYR FFF CB  
3411 C  CG  . TYR C 108 ? 0.333 0.336 0.082 0.004  -0.023 0.027  106 TYR FFF CG  
3412 C  CD1 . TYR C 108 ? 0.327 0.332 0.062 0.007  -0.005 0.003  106 TYR FFF CD1 
3413 C  CD2 . TYR C 108 ? 0.325 0.335 0.060 -0.006 -0.025 -0.000 106 TYR FFF CD2 
3414 C  CE1 . TYR C 108 ? 0.344 0.333 0.079 0.002  -0.023 -0.003 106 TYR FFF CE1 
3415 C  CE2 . TYR C 108 ? 0.347 0.340 0.060 0.013  -0.013 -0.009 106 TYR FFF CE2 
3416 C  CZ  . TYR C 108 ? 0.351 0.329 0.090 0.015  -0.019 0.005  106 TYR FFF CZ  
3417 O  OH  . TYR C 108 ? 0.373 0.317 0.120 -0.004 -0.042 0.011  106 TYR FFF OH  
3418 N  N   . THR C 109 ? 0.362 0.279 0.051 0.005  -0.022 0.003  107 THR FFF N   
3419 C  CA  . THR C 109 ? 0.346 0.303 0.092 0.010  -0.008 0.028  107 THR FFF CA  
3420 C  C   . THR C 109 ? 0.327 0.330 0.066 -0.007 -0.021 0.019  107 THR FFF C   
3421 O  O   . THR C 109 ? 0.370 0.371 0.057 -0.037 0.001  0.016  107 THR FFF O   
3422 C  CB  . THR C 109 ? 0.347 0.315 0.141 -0.001 -0.022 0.058  107 THR FFF CB  
3423 O  OG1 . THR C 109 ? 0.382 0.330 0.055 0.007  -0.022 0.041  107 THR FFF OG1 
3424 C  CG2 . THR C 109 ? 0.410 0.335 0.113 0.035  -0.017 0.065  107 THR FFF CG2 
3425 N  N   . GLU C 110 ? 0.350 0.331 0.030 0.017  -0.022 0.038  108 GLU FFF N   
3426 C  CA  . GLU C 110 ? 0.362 0.340 0.029 -0.003 -0.006 0.023  108 GLU FFF CA  
3427 C  C   . GLU C 110 ? 0.330 0.382 0.058 -0.007 -0.021 -0.044 108 GLU FFF C   
3428 O  O   . GLU C 110 ? 0.347 0.433 0.052 0.002  0.021  0.014  108 GLU FFF O   
3429 C  CB  . GLU C 110 ? 0.365 0.359 0.058 0.001  -0.030 0.004  108 GLU FFF CB  
3430 C  CG  . GLU C 110 ? 0.355 0.385 0.011 0.004  -0.006 -0.001 108 GLU FFF CG  
3431 C  CD  . GLU C 110 ? 0.439 0.377 0.040 -0.006 -0.045 -0.003 108 GLU FFF CD  
3432 O  OE1 . GLU C 110 ? 0.446 0.382 0.074 0.011  -0.032 0.006  108 GLU FFF OE1 
3433 O  OE2 . GLU C 110 ? 0.400 0.363 0.043 0.008  0.008  0.018  108 GLU FFF OE2 
3434 N  N   . TYR C 111 ? 0.368 0.373 0.052 -0.017 0.006  -0.027 109 TYR FFF N   
3435 C  CA  . TYR C 111 ? 0.347 0.377 0.078 -0.005 0.023  -0.017 109 TYR FFF CA  
3436 C  C   . TYR C 111 ? 0.348 0.348 0.066 0.002  -0.007 0.011  109 TYR FFF C   
3437 O  O   . TYR C 111 ? 0.354 0.336 0.131 -0.022 0.010  0.007  109 TYR FFF O   
3438 C  CB  . TYR C 111 ? 0.347 0.322 0.071 -0.026 0.007  -0.025 109 TYR FFF CB  
3439 C  CG  . TYR C 111 ? 0.316 0.318 0.059 -0.005 -0.039 0.017  109 TYR FFF CG  
3440 C  CD1 . TYR C 111 ? 0.354 0.318 0.059 -0.009 -0.027 -0.029 109 TYR FFF CD1 
3441 C  CD2 . TYR C 111 ? 0.333 0.318 0.034 -0.001 -0.029 -0.023 109 TYR FFF CD2 
3442 C  CE1 . TYR C 111 ? 0.336 0.324 0.022 -0.002 -0.047 -0.017 109 TYR FFF CE1 
3443 C  CE2 . TYR C 111 ? 0.329 0.329 0.092 0.004  -0.025 0.010  109 TYR FFF CE2 
3444 C  CZ  . TYR C 111 ? 0.315 0.324 0.055 0.000  -0.052 -0.008 109 TYR FFF CZ  
3445 O  OH  . TYR C 111 ? 0.331 0.349 0.061 -0.004 -0.017 0.001  109 TYR FFF OH  
3446 N  N   . THR C 112 ? 0.353 0.372 0.096 0.012  0.040  -0.001 110 THR FFF N   
3447 C  CA  . THR C 112 ? 0.344 0.400 0.092 0.010  0.004  0.018  110 THR FFF CA  
3448 C  C   . THR C 112 ? 0.322 0.360 0.075 0.004  0.013  -0.004 110 THR FFF C   
3449 O  O   . THR C 112 ? 0.338 0.360 0.067 -0.003 -0.004 0.004  110 THR FFF O   
3450 C  CB  . THR C 112 ? 0.369 0.414 0.081 0.012  0.002  0.038  110 THR FFF CB  
3451 O  OG1 . THR C 112 ? 0.372 0.431 0.071 0.028  -0.003 0.016  110 THR FFF OG1 
3452 C  CG2 . THR C 112 ? 0.380 0.482 0.079 -0.031 -0.014 0.049  110 THR FFF CG2 
3453 N  N   . GLU C 113 ? 0.338 0.399 0.067 -0.020 0.019  0.006  111 GLU FFF N   
3454 C  CA  A GLU C 113 ? 0.372 0.405 0.106 -0.009 -0.021 -0.004 111 GLU FFF CA  
3455 C  CA  B GLU C 113 ? 0.358 0.399 0.103 -0.020 -0.015 -0.003 111 GLU FFF CA  
3456 C  C   . GLU C 113 ? 0.370 0.400 0.056 -0.021 -0.015 -0.005 111 GLU FFF C   
3457 O  O   . GLU C 113 ? 0.358 0.405 0.088 -0.002 -0.009 0.018  111 GLU FFF O   
3458 C  CB  A GLU C 113 ? 0.425 0.406 0.159 -0.042 -0.009 0.011  111 GLU FFF CB  
3459 C  CB  B GLU C 113 ? 0.394 0.411 0.148 -0.049 -0.000 0.004  111 GLU FFF CB  
3460 C  CG  A GLU C 113 ? 0.465 0.554 0.216 -0.044 0.043  0.012  111 GLU FFF CG  
3461 C  CG  B GLU C 113 ? 0.371 0.492 0.192 -0.079 0.025  0.001  111 GLU FFF CG  
3462 C  CD  A GLU C 113 ? 0.505 0.606 0.384 0.000  0.020  -0.019 111 GLU FFF CD  
3463 C  CD  B GLU C 113 ? 0.383 0.497 0.258 -0.092 0.012  0.010  111 GLU FFF CD  
3464 O  OE1 A GLU C 113 ? 0.549 0.655 0.428 -0.086 0.095  0.131  111 GLU FFF OE1 
3465 O  OE1 B GLU C 113 ? 0.354 0.400 0.188 -0.106 0.094  -0.061 111 GLU FFF OE1 
3466 O  OE2 A GLU C 113 ? 0.623 0.768 0.466 -0.164 0.208  -0.012 111 GLU FFF OE2 
3467 O  OE2 B GLU C 113 ? 0.427 0.569 0.268 -0.104 0.002  0.049  111 GLU FFF OE2 
3468 N  N   . ALA C 114 ? 0.385 0.433 0.051 0.009  0.005  -0.006 112 ALA FFF N   
3469 C  CA  . ALA C 114 ? 0.396 0.434 0.093 -0.006 0.022  -0.021 112 ALA FFF CA  
3470 C  C   . ALA C 114 ? 0.361 0.407 0.059 0.042  0.029  -0.013 112 ALA FFF C   
3471 O  O   . ALA C 114 ? 0.377 0.402 0.114 0.039  0.040  -0.015 112 ALA FFF O   
3472 C  CB  . ALA C 114 ? 0.472 0.558 0.089 -0.004 0.047  -0.011 112 ALA FFF CB  
3473 N  N   . ASP C 115 ? 0.340 0.398 0.042 0.004  0.006  -0.051 113 ASP FFF N   
3474 C  CA  . ASP C 115 ? 0.336 0.398 0.059 0.005  0.008  -0.041 113 ASP FFF CA  
3475 C  C   . ASP C 115 ? 0.349 0.385 0.065 -0.015 0.001  -0.029 113 ASP FFF C   
3476 O  O   . ASP C 115 ? 0.385 0.362 0.060 -0.011 -0.006 -0.030 113 ASP FFF O   
3477 C  CB  . ASP C 115 ? 0.348 0.392 0.079 0.015  -0.013 -0.007 113 ASP FFF CB  
3478 C  CG  . ASP C 115 ? 0.340 0.426 0.055 0.027  0.022  -0.011 113 ASP FFF CG  
3479 O  OD1 . ASP C 115 ? 0.405 0.472 0.049 0.056  -0.039 -0.058 113 ASP FFF OD1 
3480 O  OD2 . ASP C 115 ? 0.356 0.379 0.097 -0.001 -0.001 -0.026 113 ASP FFF OD2 
3481 N  N   . PHE C 116 ? 0.323 0.383 0.093 -0.024 -0.004 0.002  114 PHE FFF N   
3482 C  CA  . PHE C 116 ? 0.351 0.358 0.090 0.016  0.009  -0.026 114 PHE FFF CA  
3483 C  C   . PHE C 116 ? 0.340 0.414 0.118 0.013  0.022  0.019  114 PHE FFF C   
3484 O  O   . PHE C 116 ? 0.327 0.446 0.086 0.012  0.004  -0.048 114 PHE FFF O   
3485 C  CB  . PHE C 116 ? 0.354 0.350 0.073 0.014  0.012  -0.022 114 PHE FFF CB  
3486 C  CG  . PHE C 116 ? 0.347 0.379 0.079 0.008  -0.017 -0.023 114 PHE FFF CG  
3487 C  CD1 . PHE C 116 ? 0.360 0.369 0.076 0.023  -0.015 -0.023 114 PHE FFF CD1 
3488 C  CD2 . PHE C 116 ? 0.337 0.341 0.064 0.001  -0.032 -0.005 114 PHE FFF CD2 
3489 C  CE1 . PHE C 116 ? 0.346 0.358 0.039 0.001  -0.057 0.005  114 PHE FFF CE1 
3490 C  CE2 . PHE C 116 ? 0.365 0.347 0.066 0.051  -0.014 -0.033 114 PHE FFF CE2 
3491 C  CZ  . PHE C 116 ? 0.349 0.368 0.088 0.035  -0.015 -0.005 114 PHE FFF CZ  
3492 N  N   . GLY C 117 ? 0.337 0.411 0.117 0.007  0.006  0.014  115 GLY FFF N   
3493 C  CA  . GLY C 117 ? 0.344 0.403 0.108 0.003  -0.017 -0.043 115 GLY FFF CA  
3494 C  C   . GLY C 117 ? 0.355 0.393 0.107 0.034  -0.022 -0.041 115 GLY FFF C   
3495 O  O   . GLY C 117 ? 0.358 0.388 0.095 0.044  -0.020 -0.001 115 GLY FFF O   
3496 N  N   . SER C 118 ? 0.380 0.387 0.140 0.040  -0.048 -0.064 116 SER FFF N   
3497 C  CA  . SER C 118 ? 0.352 0.427 0.138 0.014  -0.072 -0.004 116 SER FFF CA  
3498 C  C   . SER C 118 ? 0.339 0.420 0.164 0.063  0.011  -0.005 116 SER FFF C   
3499 O  O   . SER C 118 ? 0.389 0.395 0.134 0.011  0.001  -0.021 116 SER FFF O   
3500 C  CB  . SER C 118 ? 0.350 0.358 0.190 0.012  -0.051 -0.045 116 SER FFF CB  
3501 O  OG  . SER C 118 ? 0.421 0.367 0.237 0.020  -0.029 -0.059 116 SER FFF OG  
3502 N  N   . TRP C 119 ? 0.376 0.397 0.122 0.009  -0.028 -0.049 117 TRP FFF N   
3503 C  CA  . TRP C 119 ? 0.363 0.389 0.135 0.003  -0.045 -0.015 117 TRP FFF CA  
3504 C  C   . TRP C 119 ? 0.322 0.423 0.124 0.006  -0.027 -0.013 117 TRP FFF C   
3505 O  O   . TRP C 119 ? 0.350 0.421 0.096 0.012  -0.037 -0.019 117 TRP FFF O   
3506 C  CB  . TRP C 119 ? 0.300 0.430 0.137 -0.024 -0.051 -0.046 117 TRP FFF CB  
3507 C  CG  . TRP C 119 ? 0.355 0.402 0.141 0.006  -0.076 -0.023 117 TRP FFF CG  
3508 C  CD1 . TRP C 119 ? 0.405 0.430 0.143 0.052  -0.103 -0.030 117 TRP FFF CD1 
3509 C  CD2 . TRP C 119 ? 0.328 0.368 0.117 -0.013 -0.040 -0.002 117 TRP FFF CD2 
3510 N  NE1 . TRP C 119 ? 0.385 0.477 0.066 0.053  -0.036 -0.039 117 TRP FFF NE1 
3511 C  CE2 . TRP C 119 ? 0.345 0.406 0.133 -0.005 -0.035 -0.031 117 TRP FFF CE2 
3512 C  CE3 . TRP C 119 ? 0.367 0.381 0.114 0.002  -0.008 0.010  117 TRP FFF CE3 
3513 C  CZ2 . TRP C 119 ? 0.335 0.392 0.137 -0.022 -0.024 -0.003 117 TRP FFF CZ2 
3514 C  CZ3 . TRP C 119 ? 0.389 0.344 0.075 -0.013 -0.022 -0.019 117 TRP FFF CZ3 
3515 C  CH2 . TRP C 119 ? 0.406 0.381 0.084 -0.022 -0.058 -0.023 117 TRP FFF CH2 
3516 N  N   . GLY C 120 ? 0.363 0.380 0.083 -0.030 -0.026 -0.019 118 GLY FFF N   
3517 C  CA  . GLY C 120 ? 0.384 0.385 0.107 -0.024 -0.037 -0.038 118 GLY FFF CA  
3518 C  C   . GLY C 120 ? 0.375 0.397 0.097 -0.018 -0.064 0.023  118 GLY FFF C   
3519 O  O   . GLY C 120 ? 0.424 0.392 0.108 -0.019 -0.015 0.012  118 GLY FFF O   
3520 N  N   . GLN C 121 ? 0.350 0.401 0.105 -0.002 -0.036 -0.035 119 GLN FFF N   
3521 C  CA  . GLN C 121 ? 0.377 0.391 0.123 -0.018 -0.064 -0.037 119 GLN FFF CA  
3522 C  C   . GLN C 121 ? 0.353 0.406 0.181 -0.025 -0.031 0.020  119 GLN FFF C   
3523 O  O   . GLN C 121 ? 0.374 0.466 0.268 0.024  -0.027 -0.002 119 GLN FFF O   
3524 C  CB  . GLN C 121 ? 0.372 0.478 0.146 -0.029 -0.080 -0.052 119 GLN FFF CB  
3525 C  CG  . GLN C 121 ? 0.407 0.458 0.162 -0.026 -0.081 0.008  119 GLN FFF CG  
3526 C  CD  . GLN C 121 ? 0.443 0.484 0.169 -0.018 -0.099 0.004  119 GLN FFF CD  
3527 O  OE1 . GLN C 121 ? 0.399 0.564 0.148 -0.008 -0.015 -0.052 119 GLN FFF OE1 
3528 N  NE2 . GLN C 121 ? 0.493 0.519 0.268 -0.041 -0.097 0.025  119 GLN FFF NE2 
3529 N  N   . GLY C 122 ? 0.496 0.403 0.096 -0.030 -0.040 -0.023 120 GLY FFF N   
3530 C  CA  . GLY C 122 ? 0.395 0.436 0.164 0.017  -0.043 -0.029 120 GLY FFF CA  
3531 C  C   . GLY C 122 ? 0.390 0.391 0.178 -0.021 -0.064 -0.004 120 GLY FFF C   
3532 O  O   . GLY C 122 ? 0.401 0.436 0.234 0.027  -0.089 -0.053 120 GLY FFF O   
3533 N  N   . THR C 123 ? 0.401 0.393 0.107 -0.015 -0.048 0.009  121 THR FFF N   
3534 C  CA  A THR C 123 ? 0.411 0.392 0.132 -0.035 -0.062 -0.001 121 THR FFF CA  
3535 C  CA  B THR C 123 ? 0.422 0.384 0.144 -0.030 -0.074 -0.004 121 THR FFF CA  
3536 C  C   . THR C 123 ? 0.397 0.401 0.134 -0.057 -0.047 0.016  121 THR FFF C   
3537 O  O   . THR C 123 ? 0.409 0.389 0.125 -0.032 -0.050 -0.033 121 THR FFF O   
3538 C  CB  A THR C 123 ? 0.412 0.353 0.123 -0.070 -0.064 -0.041 121 THR FFF CB  
3539 C  CB  B THR C 123 ? 0.446 0.472 0.201 -0.053 -0.044 0.019  121 THR FFF CB  
3540 O  OG1 A THR C 123 ? 0.422 0.399 0.124 -0.017 -0.053 -0.056 121 THR FFF OG1 
3541 O  OG1 B THR C 123 ? 0.418 0.608 0.367 0.013  -0.037 -0.019 121 THR FFF OG1 
3542 C  CG2 A THR C 123 ? 0.408 0.379 0.112 -0.021 -0.025 0.037  121 THR FFF CG2 
3543 C  CG2 B THR C 123 ? 0.456 0.441 0.231 -0.053 -0.069 -0.012 121 THR FFF CG2 
3544 N  N   . GLN C 124 ? 0.408 0.396 0.147 -0.065 -0.039 0.023  122 GLN FFF N   
3545 C  CA  . GLN C 124 ? 0.457 0.392 0.173 -0.052 -0.047 0.025  122 GLN FFF CA  
3546 C  C   . GLN C 124 ? 0.444 0.429 0.171 -0.049 -0.054 0.015  122 GLN FFF C   
3547 O  O   . GLN C 124 ? 0.504 0.388 0.172 -0.060 -0.075 0.020  122 GLN FFF O   
3548 C  CB  . GLN C 124 ? 0.452 0.385 0.278 -0.048 -0.043 -0.003 122 GLN FFF CB  
3549 C  CG  . GLN C 124 ? 0.478 0.416 0.248 -0.082 -0.064 0.021  122 GLN FFF CG  
3550 C  CD  . GLN C 124 ? 0.505 0.452 0.250 -0.063 -0.036 0.020  122 GLN FFF CD  
3551 O  OE1 . GLN C 124 ? 0.562 0.430 0.234 -0.039 -0.039 0.019  122 GLN FFF OE1 
3552 N  NE2 . GLN C 124 ? 0.511 0.478 0.267 -0.108 -0.078 0.053  122 GLN FFF NE2 
3553 N  N   . VAL C 125 ? 0.435 0.375 0.192 -0.054 -0.046 0.025  123 VAL FFF N   
3554 C  CA  . VAL C 125 ? 0.485 0.346 0.201 -0.051 -0.030 0.023  123 VAL FFF CA  
3555 C  C   . VAL C 125 ? 0.517 0.343 0.224 -0.093 -0.033 0.009  123 VAL FFF C   
3556 O  O   . VAL C 125 ? 0.542 0.392 0.224 -0.066 -0.027 0.013  123 VAL FFF O   
3557 C  CB  . VAL C 125 ? 0.490 0.344 0.286 -0.071 -0.008 0.000  123 VAL FFF CB  
3558 C  CG1 . VAL C 125 ? 0.545 0.373 0.358 -0.033 -0.036 -0.016 123 VAL FFF CG1 
3559 C  CG2 . VAL C 125 ? 0.436 0.372 0.211 -0.050 -0.007 -0.004 123 VAL FFF CG2 
3560 N  N   . THR C 126 ? 0.513 0.362 0.232 -0.090 -0.092 -0.000 124 THR FFF N   
3561 C  CA  . THR C 126 ? 0.562 0.370 0.279 -0.084 -0.065 0.022  124 THR FFF CA  
3562 C  C   . THR C 126 ? 0.586 0.400 0.308 -0.046 -0.067 0.040  124 THR FFF C   
3563 O  O   . THR C 126 ? 0.683 0.381 0.296 -0.044 -0.082 0.056  124 THR FFF O   
3564 C  CB  . THR C 126 ? 0.552 0.421 0.342 -0.086 -0.062 0.042  124 THR FFF CB  
3565 O  OG1 . THR C 126 ? 0.487 0.470 0.359 -0.072 -0.057 0.060  124 THR FFF OG1 
3566 C  CG2 . THR C 126 ? 0.607 0.457 0.377 -0.115 -0.054 0.066  124 THR FFF CG2 
3567 N  N   . VAL C 127 ? 0.574 0.390 0.274 -0.079 -0.082 0.013  125 VAL FFF N   
3568 C  CA  . VAL C 127 ? 0.594 0.377 0.360 -0.077 -0.092 -0.009 125 VAL FFF CA  
3569 C  C   . VAL C 127 ? 0.630 0.358 0.471 -0.088 -0.098 -0.018 125 VAL FFF C   
3570 O  O   . VAL C 127 ? 0.641 0.412 0.481 -0.077 -0.092 0.019  125 VAL FFF O   
3571 C  CB  . VAL C 127 ? 0.589 0.376 0.332 -0.068 -0.088 -0.009 125 VAL FFF CB  
3572 C  CG1 . VAL C 127 ? 0.607 0.347 0.381 -0.048 -0.112 0.025  125 VAL FFF CG1 
3573 C  CG2 . VAL C 127 ? 0.547 0.371 0.257 -0.049 -0.101 -0.020 125 VAL FFF CG2 
3574 N  N   . SER C 128 ? 0.739 0.402 0.497 -0.088 -0.115 -0.053 126 SER FFF N   
3575 C  CA  A SER C 128 ? 0.838 0.396 0.581 -0.099 -0.062 -0.045 126 SER FFF CA  
3576 C  CA  B SER C 128 ? 0.824 0.403 0.550 -0.100 -0.067 -0.041 126 SER FFF CA  
3577 C  C   . SER C 128 ? 0.901 0.481 0.709 -0.020 -0.020 0.026  126 SER FFF C   
3578 O  O   . SER C 128 ? 0.975 0.496 0.864 -0.026 0.100  0.044  126 SER FFF O   
3579 C  CB  A SER C 128 ? 0.823 0.457 0.695 -0.119 -0.091 -0.030 126 SER FFF CB  
3580 C  CB  B SER C 128 ? 0.819 0.424 0.540 -0.119 -0.052 -0.055 126 SER FFF CB  
3581 O  OG  A SER C 128 ? 0.943 0.405 0.830 -0.106 -0.094 -0.041 126 SER FFF OG  
3582 O  OG  B SER C 128 ? 0.891 0.350 0.488 -0.098 -0.112 -0.095 126 SER FFF OG  
3583 N  N   . SER C 129 ? 1.114 0.567 0.707 -0.109 0.037  0.056  127 SER FFF N   
3584 C  CA  . SER C 129 ? 1.215 0.562 0.756 -0.082 -0.062 0.048  127 SER FFF CA  
3585 C  C   . SER C 129 ? 1.403 0.575 0.788 -0.227 0.138  -0.072 127 SER FFF C   
3586 O  O   . SER C 129 ? 1.435 0.705 0.997 -0.222 0.161  0.152  127 SER FFF O   
3587 C  CB  . SER C 129 ? 1.312 0.767 0.704 -0.126 -0.131 0.019  127 SER FFF CB  
3588 O  OG  . SER C 129 ? 1.449 0.554 0.795 -0.192 -0.257 0.113  127 SER FFF OG  
3589 C  C1  . NAG D .   ? 0.617 0.498 0.460 0.084  0.027  -0.239 601 NAG EEE C1  
3590 C  C2  . NAG D .   ? 0.607 0.511 0.516 0.071  -0.043 -0.149 601 NAG EEE C2  
3591 C  C3  . NAG D .   ? 0.714 0.565 0.635 0.034  0.105  -0.207 601 NAG EEE C3  
3592 C  C4  . NAG D .   ? 0.711 0.647 0.532 0.046  0.018  -0.203 601 NAG EEE C4  
3593 C  C5  . NAG D .   ? 0.684 0.670 0.476 0.031  0.082  -0.214 601 NAG EEE C5  
3594 C  C6  . NAG D .   ? 0.662 0.658 0.770 -0.020 0.047  -0.220 601 NAG EEE C6  
3595 C  C7  . NAG D .   ? 0.566 0.530 0.451 -0.044 -0.104 0.015  601 NAG EEE C7  
3596 C  C8  . NAG D .   ? 0.549 0.533 0.553 0.008  -0.019 -0.145 601 NAG EEE C8  
3597 N  N2  . NAG D .   ? 0.549 0.495 0.507 -0.006 -0.028 -0.038 601 NAG EEE N2  
3598 O  O3  . NAG D .   ? 0.923 0.610 0.620 -0.087 0.085  -0.181 601 NAG EEE O3  
3599 O  O4  . NAG D .   ? 0.806 0.701 0.541 0.057  0.019  -0.224 601 NAG EEE O4  
3600 O  O5  . NAG D .   ? 0.689 0.612 0.567 0.196  0.096  -0.171 601 NAG EEE O5  
3601 O  O6  . NAG D .   ? 0.722 0.881 0.740 -0.150 0.076  -0.282 601 NAG EEE O6  
3602 O  O7  . NAG D .   ? 0.770 0.536 0.453 -0.075 0.096  0.088  601 NAG EEE O7  
3603 C  C1  . CIT E .   ? 0.627 0.449 0.226 -0.028 0.037  -0.005 602 CIT EEE C1  
3604 O  O1  . CIT E .   ? 0.545 0.479 0.194 0.056  -0.053 -0.065 602 CIT EEE O1  
3605 O  O2  . CIT E .   ? 0.567 0.473 0.199 -0.028 0.072  -0.041 602 CIT EEE O2  
3606 C  C2  . CIT E .   ? 0.552 0.595 0.383 -0.060 0.135  -0.042 602 CIT EEE C2  
3607 C  C3  . CIT E .   ? 0.497 0.622 0.359 -0.110 0.072  -0.063 602 CIT EEE C3  
3608 O  O7  . CIT E .   ? 0.708 0.615 0.665 -0.191 -0.012 0.071  602 CIT EEE O7  
3609 C  C4  . CIT E .   ? 0.505 0.962 0.285 -0.214 0.103  -0.140 602 CIT EEE C4  
3610 C  C5  . CIT E .   ? 0.639 0.842 0.431 -0.176 0.119  -0.046 602 CIT EEE C5  
3611 O  O3  . CIT E .   ? 0.723 0.964 0.542 -0.092 0.071  0.321  602 CIT EEE O3  
3612 O  O4  . CIT E .   ? 0.951 1.566 0.822 0.010  0.381  -0.059 602 CIT EEE O4  
3613 C  C6  . CIT E .   ? 0.472 0.568 0.349 -0.118 -0.170 0.014  602 CIT EEE C6  
3614 O  O5  . CIT E .   ? 0.965 0.810 0.671 -0.110 0.038  0.149  602 CIT EEE O5  
3615 O  O6  . CIT E .   ? 0.799 0.919 0.520 0.042  -0.022 -0.042 602 CIT EEE O6  
3616 CL CL  . CL  F .   ? 0.446 0.378 0.061 -0.001 -0.040 -0.017 201 CL  FFF CL  
3617 O  O   . HOH G .   ? 0.675 0.817 0.345 0.004  -0.038 0.010  201 HOH AAA O   
3618 O  O   . HOH G .   ? 0.891 0.752 0.491 0.050  0.145  -0.027 202 HOH AAA O   
3619 O  O   . HOH G .   ? 0.857 0.912 0.245 -0.026 0.072  -0.083 203 HOH AAA O   
3620 O  O   . HOH G .   ? 0.641 0.564 0.116 -0.101 0.025  -0.072 204 HOH AAA O   
3621 O  O   . HOH G .   ? 0.801 0.641 0.276 -0.132 -0.110 -0.144 205 HOH AAA O   
3622 O  O   . HOH G .   ? 0.624 0.783 0.336 -0.092 -0.054 0.021  206 HOH AAA O   
3623 O  O   . HOH G .   ? 0.909 0.603 0.420 0.004  -0.012 -0.148 207 HOH AAA O   
3624 O  O   . HOH G .   ? 0.614 0.716 0.158 -0.081 0.103  -0.054 208 HOH AAA O   
3625 O  O   . HOH G .   ? 0.507 0.498 0.124 -0.076 -0.035 -0.032 209 HOH AAA O   
3626 O  O   . HOH G .   ? 0.736 0.654 0.511 -0.061 0.119  -0.118 210 HOH AAA O   
3627 O  O   . HOH G .   ? 0.735 0.772 0.416 -0.082 0.082  -0.096 211 HOH AAA O   
3628 O  O   . HOH G .   ? 0.629 0.588 0.218 0.011  -0.037 0.036  212 HOH AAA O   
3629 O  O   . HOH G .   ? 0.778 0.726 0.240 -0.027 0.093  -0.025 213 HOH AAA O   
3630 O  O   . HOH G .   ? 0.648 0.663 0.281 -0.059 0.091  -0.026 214 HOH AAA O   
3631 O  O   . HOH G .   ? 0.661 0.702 0.256 -0.102 -0.124 -0.033 215 HOH AAA O   
3632 O  O   . HOH G .   ? 0.913 0.740 0.537 -0.006 -0.264 0.116  216 HOH AAA O   
3633 O  O   . HOH G .   ? 0.747 0.748 0.361 0.014  0.126  -0.121 217 HOH AAA O   
3634 O  O   . HOH G .   ? 0.744 0.699 0.534 -0.051 -0.006 -0.011 218 HOH AAA O   
3635 O  O   . HOH G .   ? 0.722 0.759 0.381 0.000  0.093  -0.176 219 HOH AAA O   
3636 O  O   . HOH G .   ? 0.963 0.856 0.477 -0.010 -0.100 0.083  220 HOH AAA O   
3637 O  O   . HOH G .   ? 0.732 0.918 0.348 -0.029 -0.224 -0.124 221 HOH AAA O   
3638 O  O   . HOH G .   ? 0.682 0.595 0.420 0.005  0.133  -0.155 222 HOH AAA O   
3639 O  O   . HOH G .   ? 0.795 0.917 0.309 -0.064 0.083  0.070  223 HOH AAA O   
3640 O  O   . HOH G .   ? 0.537 0.480 0.145 -0.064 -0.019 -0.043 224 HOH AAA O   
3641 O  O   . HOH G .   ? 1.010 0.894 0.218 -0.177 0.081  -0.080 225 HOH AAA O   
3642 O  O   . HOH G .   ? 0.845 0.568 0.454 -0.017 0.261  -0.024 226 HOH AAA O   
3643 O  O   . HOH G .   ? 0.827 0.789 0.352 0.023  0.014  -0.030 227 HOH AAA O   
3644 O  O   . HOH G .   ? 0.742 0.831 0.275 -0.186 0.014  -0.050 228 HOH AAA O   
3645 O  O   . HOH G .   ? 0.562 0.585 0.167 -0.014 0.009  0.016  229 HOH AAA O   
3646 O  O   . HOH G .   ? 0.914 0.730 0.343 0.031  0.047  -0.198 230 HOH AAA O   
3647 O  O   . HOH H .   ? 0.591 0.668 0.295 -0.026 0.047  0.086  701 HOH EEE O   
3648 O  O   . HOH H .   ? 0.945 0.724 0.254 -0.099 -0.039 0.009  702 HOH EEE O   
3649 O  O   . HOH H .   ? 0.530 0.439 0.102 -0.013 0.018  0.017  703 HOH EEE O   
3650 O  O   . HOH H .   ? 0.656 0.835 0.592 0.042  0.022  -0.009 704 HOH EEE O   
3651 O  O   . HOH H .   ? 0.637 0.533 0.290 -0.041 -0.012 -0.037 705 HOH EEE O   
3652 O  O   . HOH H .   ? 0.515 0.571 0.313 0.003  0.023  -0.003 706 HOH EEE O   
3653 O  O   . HOH H .   ? 0.487 0.583 0.183 -0.061 -0.094 0.019  707 HOH EEE O   
3654 O  O   . HOH H .   ? 0.615 1.024 0.277 0.202  -0.062 0.023  708 HOH EEE O   
3655 O  O   . HOH H .   ? 0.684 0.586 0.150 -0.098 -0.004 -0.124 709 HOH EEE O   
3656 O  O   . HOH H .   ? 0.499 0.553 0.220 -0.010 0.053  0.098  710 HOH EEE O   
3657 O  O   . HOH H .   ? 0.541 0.614 0.354 0.020  -0.002 0.042  711 HOH EEE O   
3658 O  O   . HOH H .   ? 0.891 0.581 0.527 0.028  0.335  -0.093 712 HOH EEE O   
3659 O  O   . HOH H .   ? 0.684 0.881 0.363 -0.043 0.141  0.004  713 HOH EEE O   
3660 O  O   . HOH H .   ? 0.646 0.567 0.414 0.032  0.042  -0.066 714 HOH EEE O   
3661 O  O   . HOH H .   ? 0.560 0.702 0.599 -0.098 -0.045 0.050  715 HOH EEE O   
3662 O  O   . HOH H .   ? 0.617 0.646 0.598 -0.094 -0.046 0.108  716 HOH EEE O   
3663 O  O   . HOH H .   ? 0.501 0.450 0.186 -0.063 0.025  -0.027 717 HOH EEE O   
3664 O  O   . HOH H .   ? 0.643 0.586 0.338 0.053  0.081  0.142  718 HOH EEE O   
3665 O  O   . HOH H .   ? 0.364 0.345 0.198 0.001  -0.034 -0.020 719 HOH EEE O   
3666 O  O   . HOH H .   ? 0.524 0.469 0.346 -0.024 0.071  -0.140 720 HOH EEE O   
3667 O  O   . HOH H .   ? 0.460 0.445 0.449 0.027  -0.134 0.103  721 HOH EEE O   
3668 O  O   . HOH H .   ? 0.495 0.718 0.923 0.125  0.060  -0.075 722 HOH EEE O   
3669 O  O   . HOH H .   ? 0.463 0.437 0.091 -0.049 -0.030 -0.009 723 HOH EEE O   
3670 O  O   . HOH H .   ? 0.422 0.349 0.067 -0.029 -0.001 0.017  724 HOH EEE O   
3671 O  O   . HOH H .   ? 0.649 0.526 0.491 -0.036 -0.052 0.065  725 HOH EEE O   
3672 O  O   . HOH H .   ? 0.597 0.519 0.420 -0.008 0.138  -0.075 726 HOH EEE O   
3673 O  O   . HOH H .   ? 0.674 0.712 0.409 0.079  0.167  0.032  727 HOH EEE O   
3674 O  O   . HOH H .   ? 0.356 0.377 0.028 -0.034 0.004  0.016  728 HOH EEE O   
3675 O  O   . HOH H .   ? 0.592 0.506 0.393 -0.085 -0.128 0.019  729 HOH EEE O   
3676 O  O   . HOH H .   ? 0.601 0.778 0.341 -0.057 -0.013 -0.043 730 HOH EEE O   
3677 O  O   . HOH H .   ? 0.504 0.511 0.222 -0.055 -0.109 0.032  731 HOH EEE O   
3678 O  O   . HOH H .   ? 0.797 0.811 0.431 0.158  -0.167 0.093  732 HOH EEE O   
3679 O  O   . HOH H .   ? 0.649 0.784 0.443 0.009  0.069  0.058  733 HOH EEE O   
3680 O  O   . HOH H .   ? 0.343 0.371 0.021 0.021  0.002  -0.001 734 HOH EEE O   
3681 O  O   . HOH H .   ? 0.445 0.743 0.159 0.178  -0.048 -0.087 735 HOH EEE O   
3682 O  O   . HOH H .   ? 0.484 0.493 0.232 0.036  0.000  -0.055 736 HOH EEE O   
3683 O  O   . HOH H .   ? 0.455 0.871 0.410 0.005  -0.188 -0.059 737 HOH EEE O   
3684 O  O   . HOH H .   ? 0.388 0.363 0.082 -0.014 -0.022 0.022  738 HOH EEE O   
3685 O  O   . HOH H .   ? 0.345 0.382 0.070 0.010  0.025  0.019  739 HOH EEE O   
3686 O  O   . HOH H .   ? 0.644 0.522 0.353 0.019  0.184  -0.065 740 HOH EEE O   
3687 O  O   . HOH H .   ? 0.451 0.371 0.108 -0.025 0.022  -0.014 741 HOH EEE O   
3688 O  O   . HOH H .   ? 0.513 0.437 0.439 -0.028 0.009  -0.025 742 HOH EEE O   
3689 O  O   . HOH H .   ? 0.679 0.584 0.304 -0.057 0.044  -0.185 743 HOH EEE O   
3690 O  O   . HOH H .   ? 0.927 0.684 0.424 -0.018 0.107  -0.071 744 HOH EEE O   
3691 O  O   . HOH H .   ? 0.392 0.391 0.021 0.001  -0.011 -0.018 745 HOH EEE O   
3692 O  O   . HOH H .   ? 0.510 0.643 0.406 -0.005 -0.074 0.093  746 HOH EEE O   
3693 O  O   . HOH H .   ? 0.395 0.384 0.187 -0.015 0.013  0.023  747 HOH EEE O   
3694 O  O   . HOH H .   ? 0.342 0.385 0.144 0.006  0.009  -0.021 748 HOH EEE O   
3695 O  O   . HOH H .   ? 0.484 0.483 0.134 -0.101 0.033  -0.086 749 HOH EEE O   
3696 O  O   . HOH H .   ? 0.538 0.515 0.186 -0.118 0.165  -0.122 750 HOH EEE O   
3697 O  O   . HOH H .   ? 0.631 0.496 0.327 0.053  0.022  0.089  751 HOH EEE O   
3698 O  O   . HOH H .   ? 0.662 0.764 0.510 0.073  0.338  0.113  752 HOH EEE O   
3699 O  O   . HOH H .   ? 0.522 0.593 0.145 -0.125 0.017  -0.080 753 HOH EEE O   
3700 O  O   . HOH H .   ? 0.471 0.430 0.060 -0.001 -0.058 -0.021 754 HOH EEE O   
3701 O  O   . HOH H .   ? 0.532 0.554 0.133 -0.053 -0.068 -0.023 755 HOH EEE O   
3702 O  O   . HOH H .   ? 0.585 0.601 0.417 0.035  -0.115 0.054  756 HOH EEE O   
3703 O  O   . HOH H .   ? 0.787 0.614 0.323 -0.022 -0.016 0.045  757 HOH EEE O   
3704 O  O   . HOH H .   ? 0.665 0.670 0.645 -0.014 0.102  -0.006 758 HOH EEE O   
3705 O  O   . HOH H .   ? 0.451 0.484 0.205 0.031  -0.072 0.019  759 HOH EEE O   
3706 O  O   . HOH H .   ? 0.469 0.389 0.094 0.009  0.014  0.014  760 HOH EEE O   
3707 O  O   . HOH H .   ? 0.396 0.414 0.205 -0.006 0.009  0.006  761 HOH EEE O   
3708 O  O   . HOH H .   ? 0.428 0.380 0.098 -0.039 -0.030 0.009  762 HOH EEE O   
3709 O  O   . HOH H .   ? 0.548 0.753 0.540 0.107  0.112  0.155  763 HOH EEE O   
3710 O  O   . HOH H .   ? 0.523 0.514 0.201 -0.048 -0.045 -0.015 764 HOH EEE O   
3711 O  O   . HOH H .   ? 0.519 0.475 0.390 0.003  0.038  -0.134 765 HOH EEE O   
3712 O  O   . HOH H .   ? 0.423 0.402 0.264 -0.003 -0.063 0.058  766 HOH EEE O   
3713 O  O   . HOH H .   ? 0.550 0.825 0.296 0.023  -0.083 -0.074 767 HOH EEE O   
3714 O  O   . HOH H .   ? 0.432 0.365 0.164 -0.022 0.014  0.033  768 HOH EEE O   
3715 O  O   . HOH H .   ? 0.462 0.504 0.155 0.012  0.037  0.018  769 HOH EEE O   
3716 O  O   . HOH H .   ? 0.720 0.538 0.311 -0.071 0.047  0.020  770 HOH EEE O   
3717 O  O   . HOH H .   ? 0.406 0.538 0.187 0.037  -0.066 0.043  771 HOH EEE O   
3718 O  O   . HOH H .   ? 0.679 0.619 0.589 0.070  -0.115 0.009  772 HOH EEE O   
3719 O  O   . HOH H .   ? 0.518 0.421 0.502 -0.006 0.038  -0.059 773 HOH EEE O   
3720 O  O   . HOH H .   ? 0.390 0.352 0.045 -0.018 0.002  0.008  774 HOH EEE O   
3721 O  O   . HOH H .   ? 0.533 0.537 0.169 -0.089 -0.096 0.034  775 HOH EEE O   
3722 O  O   . HOH H .   ? 0.766 0.466 0.443 -0.128 -0.077 -0.153 776 HOH EEE O   
3723 O  O   . HOH H .   ? 0.470 0.488 0.216 -0.080 0.041  -0.045 777 HOH EEE O   
3724 O  O   . HOH H .   ? 0.637 0.794 0.490 -0.069 -0.128 -0.073 778 HOH EEE O   
3725 O  O   . HOH H .   ? 0.673 0.653 0.423 0.101  -0.095 0.014  779 HOH EEE O   
3726 O  O   . HOH H .   ? 0.438 0.468 0.167 0.047  0.052  0.027  780 HOH EEE O   
3727 O  O   . HOH H .   ? 1.093 0.569 0.335 -0.135 -0.219 0.020  781 HOH EEE O   
3728 O  O   . HOH H .   ? 0.466 0.440 0.233 0.041  0.042  -0.009 782 HOH EEE O   
3729 O  O   . HOH H .   ? 0.517 0.664 0.295 0.059  0.081  -0.103 783 HOH EEE O   
3730 O  O   . HOH H .   ? 0.557 0.457 0.123 -0.054 0.037  0.001  784 HOH EEE O   
3731 O  O   . HOH H .   ? 0.473 0.566 0.415 -0.012 0.115  0.022  785 HOH EEE O   
3732 O  O   . HOH H .   ? 0.416 0.503 0.116 -0.016 0.011  0.028  786 HOH EEE O   
3733 O  O   . HOH H .   ? 0.468 0.644 0.296 -0.032 -0.047 0.026  787 HOH EEE O   
3734 O  O   . HOH H .   ? 0.438 0.529 0.171 -0.009 -0.009 -0.024 788 HOH EEE O   
3735 O  O   . HOH H .   ? 0.430 0.549 0.262 -0.046 0.005  -0.061 789 HOH EEE O   
3736 O  O   . HOH H .   ? 0.758 0.721 0.633 -0.121 -0.047 0.035  790 HOH EEE O   
3737 O  O   . HOH H .   ? 0.716 0.665 0.629 -0.088 0.149  -0.069 791 HOH EEE O   
3738 O  O   . HOH H .   ? 0.475 0.421 0.080 -0.043 0.042  -0.063 792 HOH EEE O   
3739 O  O   . HOH H .   ? 0.473 0.453 0.081 -0.061 0.022  -0.022 793 HOH EEE O   
3740 O  O   . HOH H .   ? 0.597 0.696 0.734 -0.036 -0.128 0.049  794 HOH EEE O   
3741 O  O   . HOH H .   ? 0.481 0.497 0.490 -0.020 -0.054 0.053  795 HOH EEE O   
3742 O  O   . HOH H .   ? 0.585 0.603 0.471 0.008  -0.171 -0.016 796 HOH EEE O   
3743 O  O   . HOH H .   ? 0.536 0.580 0.293 0.023  -0.020 -0.007 797 HOH EEE O   
3744 O  O   . HOH H .   ? 1.001 0.723 0.718 0.005  -0.052 0.034  798 HOH EEE O   
3745 O  O   . HOH H .   ? 0.504 0.881 0.704 -0.094 -0.082 -0.263 799 HOH EEE O   
3746 O  O   . HOH H .   ? 0.721 0.662 0.413 0.019  -0.013 -0.250 800 HOH EEE O   
3747 O  O   . HOH H .   ? 0.522 0.522 0.231 -0.035 0.049  0.049  801 HOH EEE O   
3748 O  O   . HOH H .   ? 0.405 0.496 0.081 -0.104 -0.014 0.022  802 HOH EEE O   
3749 O  O   . HOH H .   ? 0.436 0.266 0.015 -0.025 0.026  0.007  803 HOH EEE O   
3750 O  O   . HOH H .   ? 0.561 0.489 0.104 -0.127 -0.009 -0.062 804 HOH EEE O   
3751 O  O   . HOH H .   ? 0.606 0.694 0.277 -0.057 0.075  -0.151 805 HOH EEE O   
3752 O  O   . HOH H .   ? 0.724 0.511 0.173 0.056  0.005  -0.086 806 HOH EEE O   
3753 O  O   . HOH H .   ? 1.025 0.652 0.329 0.035  -0.121 0.134  807 HOH EEE O   
3754 O  O   . HOH H .   ? 0.637 0.625 0.300 0.078  0.018  0.018  808 HOH EEE O   
3755 O  O   . HOH H .   ? 0.685 0.561 0.818 0.038  -0.019 -0.007 809 HOH EEE O   
3756 O  O   . HOH H .   ? 0.542 0.417 0.426 0.005  0.065  -0.028 810 HOH EEE O   
3757 O  O   . HOH H .   ? 0.611 0.530 0.432 0.106  0.133  0.019  811 HOH EEE O   
3758 O  O   . HOH H .   ? 0.502 0.785 0.345 -0.047 0.081  -0.068 812 HOH EEE O   
3759 O  O   . HOH H .   ? 0.581 0.395 0.183 0.049  -0.080 -0.028 813 HOH EEE O   
3760 O  O   . HOH H .   ? 0.544 0.447 0.130 0.084  -0.067 0.001  814 HOH EEE O   
3761 O  O   . HOH H .   ? 0.523 0.433 0.184 -0.062 0.122  -0.060 815 HOH EEE O   
3762 O  O   . HOH H .   ? 0.475 0.516 0.403 0.041  -0.117 -0.134 816 HOH EEE O   
3763 O  O   . HOH H .   ? 0.644 0.675 0.502 0.009  0.118  -0.212 817 HOH EEE O   
3764 O  O   . HOH H .   ? 0.628 0.557 0.274 -0.034 -0.185 -0.004 818 HOH EEE O   
3765 O  O   . HOH H .   ? 0.461 0.552 0.343 0.028  0.028  0.106  819 HOH EEE O   
3766 O  O   . HOH H .   ? 0.470 0.813 0.476 0.117  0.062  -0.071 820 HOH EEE O   
3767 O  O   . HOH H .   ? 0.544 0.407 0.244 -0.064 0.152  0.018  821 HOH EEE O   
3768 O  O   . HOH H .   ? 0.421 0.506 0.126 -0.049 0.047  -0.007 822 HOH EEE O   
3769 O  O   . HOH H .   ? 0.621 0.686 0.134 -0.086 0.103  -0.107 823 HOH EEE O   
3770 O  O   . HOH H .   ? 0.435 0.537 0.149 -0.030 0.052  0.028  824 HOH EEE O   
3771 O  O   . HOH H .   ? 0.384 0.532 0.205 -0.028 0.048  -0.096 825 HOH EEE O   
3772 O  O   . HOH H .   ? 0.588 0.705 0.341 0.138  -0.045 0.031  826 HOH EEE O   
3773 O  O   . HOH H .   ? 0.391 0.619 0.445 0.071  -0.115 -0.093 827 HOH EEE O   
3774 O  O   . HOH H .   ? 0.671 0.554 0.546 -0.020 0.222  -0.085 828 HOH EEE O   
3775 O  O   . HOH H .   ? 0.675 0.754 0.306 0.043  -0.011 0.066  829 HOH EEE O   
3776 O  O   . HOH H .   ? 0.372 0.402 0.123 -0.020 0.005  -0.018 830 HOH EEE O   
3777 O  O   . HOH H .   ? 0.592 0.832 0.277 -0.037 0.089  -0.067 831 HOH EEE O   
3778 O  O   . HOH H .   ? 0.564 0.595 0.184 0.016  -0.041 -0.114 832 HOH EEE O   
3779 O  O   . HOH H .   ? 0.526 0.503 0.355 -0.059 0.110  0.057  833 HOH EEE O   
3780 O  O   . HOH H .   ? 0.605 0.706 0.614 0.105  0.139  -0.012 834 HOH EEE O   
3781 O  O   . HOH H .   ? 0.723 0.762 0.706 -0.018 -0.098 -0.046 835 HOH EEE O   
3782 O  O   . HOH H .   ? 0.471 0.455 0.352 0.055  0.188  0.113  836 HOH EEE O   
3783 O  O   . HOH H .   ? 0.575 0.767 0.534 -0.148 0.204  -0.145 837 HOH EEE O   
3784 O  O   . HOH H .   ? 0.461 0.470 0.064 -0.034 0.005  -0.001 838 HOH EEE O   
3785 O  O   . HOH H .   ? 0.833 0.777 0.694 0.069  -0.104 -0.060 839 HOH EEE O   
3786 O  O   . HOH H .   ? 0.413 0.552 0.181 0.031  0.057  0.043  840 HOH EEE O   
3787 O  O   . HOH H .   ? 0.564 0.633 0.106 0.147  0.002  -0.072 841 HOH EEE O   
3788 O  O   . HOH H .   ? 0.498 0.392 0.272 0.019  0.041  0.055  842 HOH EEE O   
3789 O  O   . HOH H .   ? 0.777 0.556 0.407 0.010  0.197  -0.163 843 HOH EEE O   
3790 O  O   . HOH H .   ? 0.623 0.583 0.190 -0.049 -0.090 -0.038 844 HOH EEE O   
3791 O  O   . HOH H .   ? 0.771 0.799 0.512 0.063  0.266  -0.174 845 HOH EEE O   
3792 O  O   . HOH H .   ? 0.731 0.643 0.327 0.059  0.035  -0.069 846 HOH EEE O   
3793 O  O   . HOH H .   ? 0.352 0.377 0.048 0.008  -0.007 0.033  847 HOH EEE O   
3794 O  O   . HOH H .   ? 0.561 0.945 0.261 0.123  -0.066 0.177  848 HOH EEE O   
3795 O  O   . HOH H .   ? 0.376 0.624 0.541 0.120  -0.009 0.002  849 HOH EEE O   
3796 O  O   . HOH H .   ? 0.628 0.648 0.500 -0.027 0.024  0.034  850 HOH EEE O   
3797 O  O   . HOH H .   ? 0.656 0.526 0.252 -0.011 0.034  0.034  851 HOH EEE O   
3798 O  O   . HOH H .   ? 0.686 0.779 0.583 0.048  0.023  0.082  852 HOH EEE O   
3799 O  O   . HOH H .   ? 0.577 0.706 0.266 -0.186 0.128  -0.177 853 HOH EEE O   
3800 O  O   . HOH H .   ? 0.488 0.669 0.083 0.194  -0.085 -0.102 854 HOH EEE O   
3801 O  O   . HOH H .   ? 0.524 0.458 0.166 0.023  0.013  0.016  855 HOH EEE O   
3802 O  O   . HOH H .   ? 0.518 0.547 0.111 0.007  0.057  0.092  856 HOH EEE O   
3803 O  O   . HOH H .   ? 0.438 0.484 0.332 -0.081 0.105  -0.005 857 HOH EEE O   
3804 O  O   . HOH H .   ? 0.555 0.419 0.509 -0.002 0.016  0.087  858 HOH EEE O   
3805 O  O   . HOH H .   ? 0.414 0.552 0.127 -0.012 0.024  -0.022 859 HOH EEE O   
3806 O  O   . HOH H .   ? 0.565 0.649 0.253 0.087  -0.035 -0.035 860 HOH EEE O   
3807 O  O   . HOH H .   ? 0.639 0.858 0.526 0.011  0.022  0.029  861 HOH EEE O   
3808 O  O   . HOH H .   ? 0.617 1.117 0.448 -0.109 -0.212 -0.020 862 HOH EEE O   
3809 O  O   . HOH H .   ? 0.870 0.705 0.405 -0.006 0.183  -0.102 863 HOH EEE O   
3810 O  O   . HOH H .   ? 0.523 0.518 0.327 0.042  -0.060 -0.023 864 HOH EEE O   
3811 O  O   . HOH H .   ? 1.030 0.854 0.336 0.135  -0.009 0.227  865 HOH EEE O   
3812 O  O   . HOH H .   ? 0.540 0.516 0.544 0.076  0.126  0.211  866 HOH EEE O   
3813 O  O   . HOH H .   ? 0.732 0.708 0.711 0.099  0.084  -0.179 867 HOH EEE O   
3814 O  O   . HOH H .   ? 0.630 0.861 0.273 0.082  0.024  -0.037 868 HOH EEE O   
3815 O  O   . HOH H .   ? 0.579 0.724 0.450 -0.050 0.066  0.075  869 HOH EEE O   
3816 O  O   . HOH H .   ? 0.901 0.682 0.520 0.018  -0.078 -0.114 870 HOH EEE O   
3817 O  O   . HOH H .   ? 0.632 0.476 0.318 -0.035 0.030  0.140  871 HOH EEE O   
3818 O  O   . HOH H .   ? 1.180 0.543 0.583 0.094  -0.152 0.024  872 HOH EEE O   
3819 O  O   . HOH H .   ? 0.873 0.611 0.392 -0.101 0.052  0.033  873 HOH EEE O   
3820 O  O   . HOH H .   ? 0.767 0.770 0.604 0.097  -0.164 0.082  874 HOH EEE O   
3821 O  O   . HOH H .   ? 0.741 0.653 0.831 0.036  -0.165 -0.056 875 HOH EEE O   
3822 O  O   . HOH H .   ? 0.637 0.640 0.441 -0.097 0.118  -0.222 876 HOH EEE O   
3823 O  O   . HOH H .   ? 0.701 0.769 0.827 -0.009 0.133  -0.033 877 HOH EEE O   
3824 O  O   . HOH H .   ? 0.556 0.534 0.639 0.014  -0.002 -0.047 878 HOH EEE O   
3825 O  O   . HOH H .   ? 0.686 0.559 0.207 -0.224 -0.072 0.135  879 HOH EEE O   
3826 O  O   . HOH H .   ? 0.710 0.484 0.202 -0.078 0.055  -0.015 880 HOH EEE O   
3827 O  O   . HOH H .   ? 0.593 0.610 0.426 0.064  0.075  0.088  881 HOH EEE O   
3828 O  O   . HOH H .   ? 0.684 0.589 0.258 0.107  0.071  0.073  882 HOH EEE O   
3829 O  O   . HOH H .   ? 0.526 0.752 0.423 -0.100 0.122  -0.285 883 HOH EEE O   
3830 O  O   . HOH H .   ? 0.426 0.417 0.321 0.031  0.054  0.038  884 HOH EEE O   
3831 O  O   . HOH H .   ? 0.599 0.585 0.056 -0.118 -0.041 0.004  885 HOH EEE O   
3832 O  O   . HOH H .   ? 0.693 0.595 0.418 0.008  0.180  -0.012 886 HOH EEE O   
3833 O  O   . HOH H .   ? 0.927 0.664 0.374 0.060  0.140  0.145  887 HOH EEE O   
3834 O  O   . HOH H .   ? 0.744 0.683 0.295 0.067  0.021  0.028  888 HOH EEE O   
3835 O  O   . HOH H .   ? 0.546 0.425 0.314 -0.058 -0.102 0.101  889 HOH EEE O   
3836 O  O   . HOH H .   ? 0.678 0.714 0.468 -0.130 0.112  -0.136 890 HOH EEE O   
3837 O  O   . HOH H .   ? 0.400 0.509 0.310 0.001  0.011  0.164  891 HOH EEE O   
3838 O  O   . HOH H .   ? 0.679 0.964 0.281 0.030  0.156  -0.175 892 HOH EEE O   
3839 O  O   . HOH H .   ? 0.524 0.533 0.147 -0.041 0.026  0.013  893 HOH EEE O   
3840 O  O   . HOH H .   ? 0.680 0.611 0.330 -0.064 -0.064 0.107  894 HOH EEE O   
3841 O  O   . HOH H .   ? 0.901 0.553 0.486 -0.070 0.198  -0.126 895 HOH EEE O   
3842 O  O   . HOH H .   ? 0.563 0.679 0.263 -0.040 0.025  0.019  896 HOH EEE O   
3843 O  O   . HOH H .   ? 0.815 0.755 0.852 0.125  -0.281 -0.214 897 HOH EEE O   
3844 O  O   . HOH H .   ? 0.509 0.591 0.183 0.002  0.073  -0.031 898 HOH EEE O   
3845 O  O   . HOH H .   ? 0.765 0.851 0.526 0.020  -0.100 0.129  899 HOH EEE O   
3846 O  O   . HOH H .   ? 0.525 0.884 0.384 -0.041 0.039  -0.096 900 HOH EEE O   
3847 O  O   . HOH H .   ? 0.903 0.548 0.644 -0.091 0.108  -0.135 901 HOH EEE O   
3848 O  O   . HOH H .   ? 0.670 0.924 0.422 -0.248 -0.002 -0.034 902 HOH EEE O   
3849 O  O   . HOH H .   ? 0.986 0.838 0.343 -0.048 0.147  -0.020 903 HOH EEE O   
3850 O  O   . HOH H .   ? 0.629 0.713 0.405 -0.013 0.073  0.079  904 HOH EEE O   
3851 O  O   . HOH H .   ? 0.742 0.757 0.774 0.069  0.302  -0.091 905 HOH EEE O   
3852 O  O   . HOH H .   ? 0.922 0.850 0.312 -0.157 -0.047 0.131  906 HOH EEE O   
3853 O  O   . HOH I .   ? 0.709 0.817 0.729 -0.250 -0.029 0.141  301 HOH FFF O   
3854 O  O   . HOH I .   ? 0.865 0.706 0.264 0.010  -0.004 0.094  302 HOH FFF O   
3855 O  O   . HOH I .   ? 0.460 0.667 0.390 0.082  -0.035 -0.103 303 HOH FFF O   
3856 O  O   . HOH I .   ? 0.656 0.751 0.436 0.054  -0.020 0.090  304 HOH FFF O   
3857 O  O   . HOH I .   ? 0.764 0.766 0.277 -0.135 0.018  0.038  305 HOH FFF O   
3858 O  O   . HOH I .   ? 0.586 0.533 0.361 -0.030 0.048  0.114  306 HOH FFF O   
3859 O  O   . HOH I .   ? 0.582 0.772 0.245 -0.033 0.207  -0.123 307 HOH FFF O   
3860 O  O   . HOH I .   ? 0.533 0.442 0.271 0.075  -0.055 -0.066 308 HOH FFF O   
3861 O  O   . HOH I .   ? 0.650 0.647 0.185 -0.072 -0.054 0.077  309 HOH FFF O   
3862 O  O   . HOH I .   ? 0.568 0.692 0.366 0.024  0.015  0.157  310 HOH FFF O   
3863 O  O   . HOH I .   ? 0.666 0.671 0.102 0.079  -0.007 0.120  311 HOH FFF O   
3864 O  O   . HOH I .   ? 0.606 0.554 0.283 -0.116 0.051  0.014  312 HOH FFF O   
3865 O  O   . HOH I .   ? 0.624 0.681 0.563 -0.105 -0.078 0.108  313 HOH FFF O   
3866 O  O   . HOH I .   ? 0.683 0.697 0.433 0.036  0.195  -0.120 314 HOH FFF O   
3867 O  O   . HOH I .   ? 0.467 0.431 0.086 -0.030 -0.060 -0.011 315 HOH FFF O   
3868 O  O   . HOH I .   ? 0.481 0.764 0.352 0.059  0.006  -0.194 316 HOH FFF O   
3869 O  O   . HOH I .   ? 0.590 0.499 0.771 0.028  -0.269 -0.163 317 HOH FFF O   
3870 O  O   . HOH I .   ? 0.584 0.675 0.501 -0.109 -0.115 -0.149 318 HOH FFF O   
3871 O  O   . HOH I .   ? 0.493 0.584 0.383 0.002  0.016  0.109  319 HOH FFF O   
3872 O  O   . HOH I .   ? 0.615 0.674 0.465 -0.120 -0.145 0.052  320 HOH FFF O   
3873 O  O   . HOH I .   ? 0.456 0.415 0.092 0.033  0.051  0.003  321 HOH FFF O   
3874 O  O   . HOH I .   ? 0.850 0.534 0.384 -0.071 -0.059 0.132  322 HOH FFF O   
3875 O  O   . HOH I .   ? 0.627 0.454 0.251 -0.012 -0.021 0.005  323 HOH FFF O   
3876 O  O   . HOH I .   ? 0.450 0.590 0.210 0.023  0.104  -0.027 324 HOH FFF O   
3877 O  O   . HOH I .   ? 0.486 0.388 0.068 -0.012 -0.053 0.029  325 HOH FFF O   
3878 O  O   . HOH I .   ? 0.599 0.518 0.428 0.021  0.130  -0.044 326 HOH FFF O   
3879 O  O   . HOH I .   ? 0.458 0.525 0.138 -0.054 -0.016 -0.013 327 HOH FFF O   
3880 O  O   . HOH I .   ? 0.635 0.506 0.298 0.076  -0.014 -0.101 328 HOH FFF O   
3881 O  O   . HOH I .   ? 0.493 0.541 0.312 -0.067 -0.061 0.088  329 HOH FFF O   
3882 O  O   . HOH I .   ? 0.714 0.518 0.615 -0.114 0.005  0.010  330 HOH FFF O   
3883 O  O   . HOH I .   ? 0.986 0.621 0.264 0.054  -0.114 0.012  331 HOH FFF O   
3884 O  O   . HOH I .   ? 0.391 0.647 0.213 0.023  -0.038 0.046  332 HOH FFF O   
3885 O  O   . HOH I .   ? 0.496 0.402 0.088 -0.039 -0.033 0.013  333 HOH FFF O   
3886 O  O   . HOH I .   ? 1.006 0.860 0.358 0.066  0.227  0.110  334 HOH FFF O   
3887 O  O   . HOH I .   ? 0.519 0.491 0.236 0.098  -0.151 -0.012 335 HOH FFF O   
3888 O  O   . HOH I .   ? 0.503 0.643 0.369 0.039  -0.107 -0.235 336 HOH FFF O   
3889 O  O   . HOH I .   ? 0.560 0.480 0.279 -0.046 0.031  0.056  337 HOH FFF O   
3890 O  O   . HOH I .   ? 0.572 0.547 0.329 0.117  -0.090 -0.078 338 HOH FFF O   
3891 O  O   . HOH I .   ? 0.684 0.939 0.520 -0.157 -0.009 0.278  339 HOH FFF O   
3892 O  O   . HOH I .   ? 0.404 0.435 0.096 -0.031 0.022  0.003  340 HOH FFF O   
3893 O  O   . HOH I .   ? 0.432 0.393 0.177 0.005  -0.020 0.018  341 HOH FFF O   
3894 O  O   . HOH I .   ? 0.406 0.371 0.056 -0.010 -0.050 -0.068 342 HOH FFF O   
3895 O  O   . HOH I .   ? 0.512 0.595 0.310 -0.078 -0.075 -0.030 343 HOH FFF O   
3896 O  O   . HOH I .   ? 0.564 0.403 0.241 -0.050 -0.048 0.035  344 HOH FFF O   
3897 O  O   . HOH I .   ? 0.445 0.400 0.066 0.005  -0.017 -0.023 345 HOH FFF O   
3898 O  O   . HOH I .   ? 0.517 0.647 0.199 -0.091 0.018  0.020  346 HOH FFF O   
3899 O  O   . HOH I .   ? 0.518 0.973 0.310 0.079  -0.140 -0.241 347 HOH FFF O   
3900 O  O   . HOH I .   ? 0.791 0.616 0.623 -0.081 0.088  0.128  348 HOH FFF O   
3901 O  O   . HOH I .   ? 0.395 0.341 0.096 -0.034 -0.000 -0.012 349 HOH FFF O   
3902 O  O   . HOH I .   ? 0.487 0.996 0.294 -0.088 0.018  0.158  350 HOH FFF O   
3903 O  O   . HOH I .   ? 0.512 0.622 0.148 0.161  0.040  0.055  351 HOH FFF O   
3904 O  O   . HOH I .   ? 0.561 0.469 0.156 -0.102 -0.100 0.034  352 HOH FFF O   
3905 O  O   . HOH I .   ? 0.573 0.492 0.231 -0.011 -0.037 -0.112 353 HOH FFF O   
3906 O  O   . HOH I .   ? 0.786 0.760 0.410 -0.230 0.119  0.046  354 HOH FFF O   
3907 O  O   . HOH I .   ? 0.369 0.429 0.139 0.018  0.019  -0.017 355 HOH FFF O   
3908 O  O   . HOH I .   ? 0.465 0.417 0.234 0.045  0.032  -0.026 356 HOH FFF O   
3909 O  O   . HOH I .   ? 0.453 0.401 0.110 -0.003 -0.091 -0.011 357 HOH FFF O   
3910 O  O   . HOH I .   ? 0.455 0.476 0.156 -0.012 -0.026 -0.020 358 HOH FFF O   
3911 O  O   . HOH I .   ? 0.539 0.529 0.128 -0.028 0.020  0.056  359 HOH FFF O   
3912 O  O   . HOH I .   ? 0.627 0.606 0.538 -0.098 0.190  0.057  360 HOH FFF O   
3913 O  O   . HOH I .   ? 0.785 0.781 0.539 0.080  -0.042 0.000  361 HOH FFF O   
3914 O  O   . HOH I .   ? 0.448 0.543 0.233 -0.007 0.044  -0.061 362 HOH FFF O   
3915 O  O   . HOH I .   ? 0.655 0.524 0.188 -0.113 -0.090 0.080  363 HOH FFF O   
3916 O  O   . HOH I .   ? 0.507 0.871 0.305 0.106  0.118  0.158  364 HOH FFF O   
3917 O  O   . HOH I .   ? 0.376 0.446 0.140 0.000  -0.030 -0.045 365 HOH FFF O   
3918 O  O   . HOH I .   ? 0.584 0.858 0.231 -0.015 0.027  0.096  366 HOH FFF O   
3919 O  O   . HOH I .   ? 0.611 0.459 0.221 0.052  -0.038 -0.001 367 HOH FFF O   
3920 O  O   . HOH I .   ? 0.592 0.496 0.288 0.047  0.009  0.038  368 HOH FFF O   
3921 O  O   . HOH I .   ? 0.726 0.637 0.420 0.126  0.084  0.047  369 HOH FFF O   
3922 O  O   . HOH I .   ? 0.934 1.084 0.326 0.040  -0.048 0.110  370 HOH FFF O   
3923 O  O   . HOH I .   ? 0.680 0.628 0.294 0.048  0.041  -0.108 371 HOH FFF O   
3924 O  O   . HOH I .   ? 0.399 0.408 0.061 0.009  -0.002 0.040  372 HOH FFF O   
3925 O  O   . HOH I .   ? 0.500 0.395 0.161 0.020  0.001  0.014  373 HOH FFF O   
3926 O  O   . HOH I .   ? 0.613 0.588 0.366 -0.106 -0.169 0.056  374 HOH FFF O   
3927 O  O   . HOH I .   ? 0.705 0.481 0.484 0.071  -0.010 0.121  375 HOH FFF O   
3928 O  O   . HOH I .   ? 0.633 0.567 0.495 0.003  -0.070 -0.056 376 HOH FFF O   
3929 O  O   . HOH I .   ? 0.580 0.554 0.371 0.023  0.001  -0.121 377 HOH FFF O   
3930 O  O   . HOH I .   ? 0.750 0.686 0.290 0.001  0.082  0.084  378 HOH FFF O   
3931 O  O   . HOH I .   ? 0.363 0.462 0.095 -0.011 -0.025 0.012  379 HOH FFF O   
3932 O  O   . HOH I .   ? 0.509 0.548 0.262 0.077  -0.065 -0.019 380 HOH FFF O   
3933 O  O   . HOH I .   ? 0.682 0.494 0.764 0.018  -0.340 0.046  381 HOH FFF O   
3934 O  O   . HOH I .   ? 0.649 0.467 0.252 -0.011 -0.166 0.007  382 HOH FFF O   
3935 O  O   . HOH I .   ? 0.665 0.617 0.214 -0.011 0.048  0.053  383 HOH FFF O   
3936 O  O   . HOH I .   ? 0.748 0.541 0.447 0.047  -0.126 -0.087 384 HOH FFF O   
3937 O  O   . HOH I .   ? 0.358 0.401 0.159 -0.007 -0.015 -0.019 385 HOH FFF O   
3938 O  O   . HOH I .   ? 0.475 0.729 0.219 0.115  -0.117 -0.129 386 HOH FFF O   
3939 O  O   . HOH I .   ? 0.520 0.397 0.143 -0.013 0.021  0.058  387 HOH FFF O   
3940 O  O   . HOH I .   ? 0.718 0.440 0.387 -0.080 -0.171 0.090  388 HOH FFF O   
3941 O  O   . HOH I .   ? 0.598 0.666 0.373 0.198  0.037  -0.129 389 HOH FFF O   
3942 O  O   . HOH I .   ? 0.504 0.469 0.130 0.049  -0.001 -0.026 390 HOH FFF O   
3943 O  O   . HOH I .   ? 0.383 0.469 0.058 -0.060 -0.037 -0.017 391 HOH FFF O   
3944 O  O   . HOH I .   ? 0.547 0.723 0.289 -0.186 0.036  -0.039 392 HOH FFF O   
3945 O  O   . HOH I .   ? 0.528 0.472 0.286 -0.077 -0.102 0.063  393 HOH FFF O   
3946 O  O   . HOH I .   ? 0.673 0.549 0.151 -0.070 -0.054 0.008  394 HOH FFF O   
3947 O  O   . HOH I .   ? 0.659 0.685 0.781 0.038  -0.054 -0.058 395 HOH FFF O   
3948 O  O   . HOH I .   ? 0.577 0.618 0.458 0.012  -0.076 0.120  396 HOH FFF O   
3949 O  O   . HOH I .   ? 0.816 0.543 0.311 -0.038 -0.100 -0.081 397 HOH FFF O   
3950 O  O   . HOH I .   ? 0.648 0.616 0.377 0.018  0.092  -0.147 398 HOH FFF O   
3951 O  O   . HOH I .   ? 0.729 0.678 0.347 0.108  -0.110 0.045  399 HOH FFF O   
3952 O  O   . HOH I .   ? 0.524 0.805 0.256 -0.158 -0.025 -0.152 400 HOH FFF O   
3953 O  O   . HOH I .   ? 0.814 0.494 0.275 -0.088 -0.178 -0.043 401 HOH FFF O   
3954 O  O   . HOH I .   ? 0.625 0.692 0.382 0.011  -0.164 -0.107 402 HOH FFF O   
3955 O  O   . HOH I .   ? 0.496 0.600 0.203 -0.000 0.013  0.059  403 HOH FFF O   
3956 O  O   . HOH I .   ? 0.485 0.437 0.226 0.059  -0.045 0.040  404 HOH FFF O   
3957 O  O   . HOH I .   ? 0.742 0.737 0.233 -0.020 -0.005 -0.163 405 HOH FFF O   
3958 O  O   . HOH I .   ? 0.730 0.633 0.375 -0.038 0.053  0.060  406 HOH FFF O   
3959 O  O   . HOH I .   ? 0.388 0.864 0.080 -0.132 0.013  0.018  407 HOH FFF O   
3960 O  O   . HOH I .   ? 0.824 0.682 0.216 0.090  0.171  0.015  408 HOH FFF O   
3961 O  O   . HOH I .   ? 0.754 1.034 0.736 -0.128 -0.190 -0.173 409 HOH FFF O   
3962 O  O   . HOH I .   ? 0.565 0.635 0.351 0.026  0.020  -0.065 410 HOH FFF O   
3963 O  O   . HOH I .   ? 0.889 0.695 0.444 0.051  0.132  -0.137 411 HOH FFF O   
3964 O  O   . HOH I .   ? 0.677 0.703 0.377 0.100  0.081  -0.174 412 HOH FFF O   
3965 O  O   . HOH I .   ? 0.794 0.596 0.534 -0.083 -0.359 -0.074 413 HOH FFF O   
3966 O  O   . HOH I .   ? 0.789 0.705 0.348 -0.071 -0.008 0.105  414 HOH FFF O   
3967 O  O   . HOH I .   ? 0.536 0.571 0.239 0.105  -0.064 -0.076 415 HOH FFF O   
3968 O  O   . HOH I .   ? 0.607 0.647 0.268 -0.061 0.121  -0.264 416 HOH FFF O   
3969 O  O   . HOH I .   ? 0.495 0.578 0.220 -0.075 -0.052 0.041  417 HOH FFF O   
3970 O  O   . HOH I .   ? 0.856 0.827 0.301 -0.074 0.204  0.028  418 HOH FFF O   
3971 O  O   . HOH I .   ? 0.788 0.617 0.535 0.060  0.136  0.020  419 HOH FFF O   
3972 O  O   . HOH I .   ? 0.679 0.618 0.406 0.014  0.014  -0.069 420 HOH FFF O   
3973 O  O   . HOH I .   ? 0.698 0.563 0.369 0.098  -0.219 -0.071 421 HOH FFF O   
3974 O  O   . HOH I .   ? 0.938 0.602 0.219 0.219  -0.167 -0.041 422 HOH FFF O   
3975 O  O   . HOH I .   ? 0.662 0.711 0.289 -0.038 0.036  0.152  423 HOH FFF O   
3976 O  O   . HOH I .   ? 0.648 1.051 0.686 -0.039 0.032  0.238  424 HOH FFF O   
3977 O  O   . HOH I .   ? 0.623 0.732 0.420 0.155  0.031  -0.184 425 HOH FFF O   
3978 O  O   . HOH I .   ? 0.767 0.727 0.389 -0.047 0.095  0.072  426 HOH FFF O   
3979 O  O   . HOH I .   ? 0.716 0.819 0.298 -0.137 0.048  -0.192 427 HOH FFF O   
3980 O  O   . HOH I .   ? 0.739 0.740 0.790 0.069  0.076  0.028  428 HOH FFF O   
3981 O  O   . HOH I .   ? 0.801 0.667 0.758 -0.192 -0.050 0.001  429 HOH FFF O   
3982 O  O   . HOH I .   ? 0.726 0.721 0.572 0.148  -0.063 0.084  430 HOH FFF O   
3983 O  O   . HOH I .   ? 0.769 0.741 0.649 -0.163 0.253  -0.028 431 HOH FFF O   
3984 O  O   . HOH I .   ? 0.852 0.498 0.772 0.064  -0.103 0.067  432 HOH FFF O   
3985 O  O   . HOH I .   ? 0.775 0.657 0.521 0.152  0.080  0.104  433 HOH FFF O   
3986 O  O   . HOH I .   ? 0.716 0.517 0.513 -0.008 0.074  -0.044 434 HOH FFF O   
3987 O  O   . HOH I .   ? 0.549 0.628 0.319 -0.062 0.077  0.048  435 HOH FFF O   
3988 O  O   . HOH I .   ? 0.552 0.645 0.242 0.114  -0.028 0.107  436 HOH FFF O   
3989 O  O   . HOH I .   ? 0.749 0.773 0.533 0.079  0.219  -0.115 437 HOH FFF O   
3990 O  O   . HOH I .   ? 1.034 0.559 0.554 -0.153 -0.140 0.119  438 HOH FFF O   
3991 O  O   . HOH I .   ? 0.699 0.872 0.427 -0.103 0.137  0.042  439 HOH FFF O   
# 
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   GLN 1   1   1   GLN GLN AAA . n 
A 1 2   VAL 2   2   2   VAL VAL AAA . n 
A 1 3   GLN 3   3   3   GLN GLN AAA . n 
A 1 4   LEU 4   4   4   LEU LEU AAA . n 
A 1 5   VAL 5   5   5   VAL VAL AAA . n 
A 1 6   GLU 6   6   6   GLU GLU AAA . n 
A 1 7   SER 7   7   7   SER SER AAA . n 
A 1 8   GLY 8   8   8   GLY GLY AAA . n 
A 1 9   GLY 9   9   9   GLY GLY AAA . n 
A 1 10  GLY 10  10  10  GLY GLY AAA . n 
A 1 11  LEU 11  11  11  LEU LEU AAA . n 
A 1 12  VAL 12  12  12  VAL VAL AAA . n 
A 1 13  GLN 13  13  13  GLN GLN AAA . n 
A 1 14  PRO 14  14  14  PRO PRO AAA . n 
A 1 15  GLY 15  15  15  GLY GLY AAA . n 
A 1 16  GLY 16  16  16  GLY GLY AAA . n 
A 1 17  SER 17  17  17  SER SER AAA . n 
A 1 18  LEU 18  18  18  LEU LEU AAA . n 
A 1 19  ARG 19  19  19  ARG ARG AAA . n 
A 1 20  LEU 20  20  20  LEU LEU AAA . n 
A 1 21  SER 21  21  21  SER SER AAA . n 
A 1 22  CYS 22  22  22  CYS CYS AAA . n 
A 1 23  ALA 23  23  23  ALA ALA AAA . n 
A 1 24  ALA 24  24  24  ALA ALA AAA . n 
A 1 25  SER 25  25  25  SER SER AAA . n 
A 1 26  GLY 26  26  26  GLY GLY AAA . n 
A 1 27  PHE 27  27  27  PHE PHE AAA . n 
A 1 28  THR 28  28  28  THR THR AAA . n 
A 1 29  ASN 29  29  29  ASN ASN AAA . n 
A 1 30  ASP 30  30  30  ASP ASP AAA . n 
A 1 31  PHE 31  31  31  PHE PHE AAA . n 
A 1 32  TYR 32  32  32  TYR TYR AAA . n 
A 1 33  SER 33  33  33  SER SER AAA . n 
A 1 34  ILE 34  34  34  ILE ILE AAA . n 
A 1 35  ALA 35  35  35  ALA ALA AAA . n 
A 1 36  TRP 36  36  36  TRP TRP AAA . n 
A 1 37  PHE 37  37  37  PHE PHE AAA . n 
A 1 38  ARG 38  38  38  ARG ARG AAA . n 
A 1 39  GLN 39  39  39  GLN GLN AAA . n 
A 1 40  ALA 40  40  40  ALA ALA AAA . n 
A 1 41  PRO 41  41  41  PRO PRO AAA . n 
A 1 42  GLY 42  42  42  GLY GLY AAA . n 
A 1 43  LYS 43  43  43  LYS LYS AAA . n 
A 1 44  GLU 44  44  44  GLU GLU AAA . n 
A 1 45  ARG 45  45  45  ARG ARG AAA . n 
A 1 46  GLU 46  46  46  GLU GLU AAA . n 
A 1 47  GLY 47  47  47  GLY GLY AAA . n 
A 1 48  VAL 48  48  48  VAL VAL AAA . n 
A 1 49  SER 49  49  49  SER SER AAA . n 
A 1 50  TRP 50  50  50  TRP TRP AAA . n 
A 1 51  LEU 51  51  51  LEU LEU AAA . n 
A 1 52  SER 52  52  52  SER SER AAA . n 
A 1 53  VAL 53  53  53  VAL VAL AAA . n 
A 1 54  SER 54  54  54  SER SER AAA . n 
A 1 55  ASP 55  55  55  ASP ASP AAA . n 
A 1 56  ASN 56  56  56  ASN ASN AAA . n 
A 1 57  THR 57  57  57  THR THR AAA . n 
A 1 58  PRO 58  58  58  PRO PRO AAA . n 
A 1 59  THR 59  59  59  THR THR AAA . n 
A 1 60  TYR 60  60  60  TYR TYR AAA . n 
A 1 61  VAL 61  61  61  VAL VAL AAA . n 
A 1 62  ASP 62  62  62  ASP ASP AAA . n 
A 1 63  SER 63  63  63  SER SER AAA . n 
A 1 64  VAL 64  64  64  VAL VAL AAA . n 
A 1 65  LYS 65  65  65  LYS LYS AAA . n 
A 1 66  ASP 66  66  66  ASP ASP AAA . n 
A 1 67  ARG 67  67  67  ARG ARG AAA . n 
A 1 68  PHE 68  68  68  PHE PHE AAA . n 
A 1 69  THR 69  69  69  THR THR AAA . n 
A 1 70  ILE 70  70  70  ILE ILE AAA . n 
A 1 71  SER 71  71  71  SER SER AAA . n 
A 1 72  ARG 72  72  72  ARG ARG AAA . n 
A 1 73  HIS 73  73  73  HIS HIS AAA . n 
A 1 74  ASN 74  74  74  ASN ASN AAA . n 
A 1 75  ALA 75  75  75  ALA ALA AAA . n 
A 1 76  ASN 76  76  76  ASN ASN AAA . n 
A 1 77  ASN 77  77  77  ASN ASN AAA . n 
A 1 78  THR 78  78  78  THR THR AAA . n 
A 1 79  VAL 79  79  79  VAL VAL AAA . n 
A 1 80  TYR 80  80  80  TYR TYR AAA . n 
A 1 81  LEU 81  81  81  LEU LEU AAA . n 
A 1 82  GLN 82  82  82  GLN GLN AAA . n 
A 1 83  MET 83  83  83  MET MET AAA . n 
A 1 84  ASN 84  84  84  ASN ASN AAA . n 
A 1 85  MET 85  85  85  MET MET AAA . n 
A 1 86  LEU 86  86  86  LEU LEU AAA . n 
A 1 87  LYS 87  87  87  LYS LYS AAA . n 
A 1 88  PRO 88  88  88  PRO PRO AAA . n 
A 1 89  GLU 89  89  89  GLU GLU AAA . n 
A 1 90  ASP 90  90  90  ASP ASP AAA . n 
A 1 91  THR 91  91  91  THR THR AAA . n 
A 1 92  ALA 92  92  92  ALA ALA AAA . n 
A 1 93  ILE 93  93  93  ILE ILE AAA . n 
A 1 94  TYR 94  94  94  TYR TYR AAA . n 
A 1 95  TYR 95  95  95  TYR TYR AAA . n 
A 1 96  CYS 96  96  96  CYS CYS AAA . n 
A 1 97  ALA 97  97  97  ALA ALA AAA . n 
A 1 98  ALA 98  98  98  ALA ALA AAA . n 
A 1 99  GLY 99  99  99  GLY GLY AAA . n 
A 1 100 ARG 100 100 100 ARG ARG AAA . n 
A 1 101 PHE 101 101 101 PHE PHE AAA . n 
A 1 102 ALA 102 102 102 ALA ALA AAA . n 
A 1 103 GLY 103 103 103 GLY GLY AAA . n 
A 1 104 ARG 104 104 104 ARG ARG AAA . n 
A 1 105 ASP 105 105 105 ASP ASP AAA . n 
A 1 106 THR 106 106 106 THR THR AAA . n 
A 1 107 TRP 107 107 107 TRP TRP AAA . n 
A 1 108 PRO 108 108 108 PRO PRO AAA . n 
A 1 109 SER 109 109 109 SER SER AAA . n 
A 1 110 SER 110 110 110 SER SER AAA . n 
A 1 111 TYR 111 111 111 TYR TYR AAA . n 
A 1 112 ASP 112 112 112 ASP ASP AAA . n 
A 1 113 TYR 113 113 113 TYR TYR AAA . n 
A 1 114 TRP 114 114 114 TRP TRP AAA . n 
A 1 115 GLY 115 115 115 GLY GLY AAA . n 
A 1 116 GLN 116 116 116 GLN GLN AAA . n 
A 1 117 GLY 117 117 117 GLY GLY AAA . n 
A 1 118 THR 118 118 118 THR THR AAA . n 
A 1 119 GLN 119 119 119 GLN GLN AAA . n 
A 1 120 VAL 120 120 120 VAL VAL AAA . n 
A 1 121 THR 121 121 121 THR THR AAA . n 
A 1 122 VAL 122 122 122 VAL VAL AAA . n 
A 1 123 SER 123 123 123 SER SER AAA . n 
A 1 124 SER 124 124 124 SER SER AAA . n 
A 1 125 LYS 125 125 ?   ?   ?   AAA . n 
A 1 126 HIS 126 126 ?   ?   ?   AAA . n 
A 1 127 HIS 127 127 ?   ?   ?   AAA . n 
A 1 128 HIS 128 128 ?   ?   ?   AAA . n 
A 1 129 HIS 129 129 ?   ?   ?   AAA . n 
A 1 130 HIS 130 130 ?   ?   ?   AAA . n 
A 1 131 HIS 131 131 ?   ?   ?   AAA . n 
B 2 1   PRO 1   330 ?   ?   ?   EEE . n 
B 2 2   ASN 2   331 ?   ?   ?   EEE . n 
B 2 3   ILE 3   332 ?   ?   ?   EEE . n 
B 2 4   THR 4   333 ?   ?   ?   EEE . n 
B 2 5   ASN 5   334 334 ASN ASN EEE . n 
B 2 6   LEU 6   335 335 LEU LEU EEE . n 
B 2 7   CYS 7   336 336 CYS CYS EEE . n 
B 2 8   PRO 8   337 337 PRO PRO EEE . n 
B 2 9   PHE 9   338 338 PHE PHE EEE . n 
B 2 10  GLY 10  339 339 GLY GLY EEE . n 
B 2 11  GLU 11  340 340 GLU GLU EEE . n 
B 2 12  VAL 12  341 341 VAL VAL EEE . n 
B 2 13  PHE 13  342 342 PHE PHE EEE . n 
B 2 14  ASN 14  343 343 ASN ASN EEE . n 
B 2 15  ALA 15  344 344 ALA ALA EEE . n 
B 2 16  THR 16  345 345 THR THR EEE . n 
B 2 17  ARG 17  346 346 ARG ARG EEE . n 
B 2 18  PHE 18  347 347 PHE PHE EEE . n 
B 2 19  ALA 19  348 348 ALA ALA EEE . n 
B 2 20  SER 20  349 349 SER SER EEE . n 
B 2 21  VAL 21  350 350 VAL VAL EEE . n 
B 2 22  TYR 22  351 351 TYR TYR EEE . n 
B 2 23  ALA 23  352 352 ALA ALA EEE . n 
B 2 24  TRP 24  353 353 TRP TRP EEE . n 
B 2 25  ASN 25  354 354 ASN ASN EEE . n 
B 2 26  ARG 26  355 355 ARG ARG EEE . n 
B 2 27  LYS 27  356 356 LYS LYS EEE . n 
B 2 28  ARG 28  357 357 ARG ARG EEE . n 
B 2 29  ILE 29  358 358 ILE ILE EEE . n 
B 2 30  SER 30  359 359 SER SER EEE . n 
B 2 31  ASN 31  360 360 ASN ASN EEE . n 
B 2 32  CYS 32  361 361 CYS CYS EEE . n 
B 2 33  VAL 33  362 362 VAL VAL EEE . n 
B 2 34  ALA 34  363 363 ALA ALA EEE . n 
B 2 35  ASP 35  364 364 ASP ASP EEE . n 
B 2 36  TYR 36  365 365 TYR TYR EEE . n 
B 2 37  SER 37  366 366 SER SER EEE . n 
B 2 38  VAL 38  367 367 VAL VAL EEE . n 
B 2 39  LEU 39  368 368 LEU LEU EEE . n 
B 2 40  TYR 40  369 369 TYR TYR EEE . n 
B 2 41  ASN 41  370 370 ASN ASN EEE . n 
B 2 42  SER 42  371 371 SER SER EEE . n 
B 2 43  ALA 43  372 372 ALA ALA EEE . n 
B 2 44  SER 44  373 373 SER SER EEE . n 
B 2 45  PHE 45  374 374 PHE PHE EEE . n 
B 2 46  SER 46  375 375 SER SER EEE . n 
B 2 47  THR 47  376 376 THR THR EEE . n 
B 2 48  PHE 48  377 377 PHE PHE EEE . n 
B 2 49  LYS 49  378 378 LYS LYS EEE . n 
B 2 50  CYS 50  379 379 CYS CYS EEE . n 
B 2 51  TYR 51  380 380 TYR TYR EEE . n 
B 2 52  GLY 52  381 381 GLY GLY EEE . n 
B 2 53  VAL 53  382 382 VAL VAL EEE . n 
B 2 54  SER 54  383 383 SER SER EEE . n 
B 2 55  PRO 55  384 384 PRO PRO EEE . n 
B 2 56  THR 56  385 385 THR THR EEE . n 
B 2 57  LYS 57  386 386 LYS LYS EEE . n 
B 2 58  LEU 58  387 387 LEU LEU EEE . n 
B 2 59  ASN 59  388 388 ASN ASN EEE . n 
B 2 60  ASP 60  389 389 ASP ASP EEE . n 
B 2 61  LEU 61  390 390 LEU LEU EEE . n 
B 2 62  CYS 62  391 391 CYS CYS EEE . n 
B 2 63  PHE 63  392 392 PHE PHE EEE . n 
B 2 64  THR 64  393 393 THR THR EEE . n 
B 2 65  ASN 65  394 394 ASN ASN EEE . n 
B 2 66  VAL 66  395 395 VAL VAL EEE . n 
B 2 67  TYR 67  396 396 TYR TYR EEE . n 
B 2 68  ALA 68  397 397 ALA ALA EEE . n 
B 2 69  ASP 69  398 398 ASP ASP EEE . n 
B 2 70  SER 70  399 399 SER SER EEE . n 
B 2 71  PHE 71  400 400 PHE PHE EEE . n 
B 2 72  VAL 72  401 401 VAL VAL EEE . n 
B 2 73  ILE 73  402 402 ILE ILE EEE . n 
B 2 74  ARG 74  403 403 ARG ARG EEE . n 
B 2 75  GLY 75  404 404 GLY GLY EEE . n 
B 2 76  ASP 76  405 405 ASP ASP EEE . n 
B 2 77  GLU 77  406 406 GLU GLU EEE . n 
B 2 78  VAL 78  407 407 VAL VAL EEE . n 
B 2 79  ARG 79  408 408 ARG ARG EEE . n 
B 2 80  GLN 80  409 409 GLN GLN EEE . n 
B 2 81  ILE 81  410 410 ILE ILE EEE . n 
B 2 82  ALA 82  411 411 ALA ALA EEE . n 
B 2 83  PRO 83  412 412 PRO PRO EEE . n 
B 2 84  GLY 84  413 413 GLY GLY EEE . n 
B 2 85  GLN 85  414 414 GLN GLN EEE . n 
B 2 86  THR 86  415 415 THR THR EEE . n 
B 2 87  GLY 87  416 416 GLY GLY EEE . n 
B 2 88  LYS 88  417 417 LYS LYS EEE . n 
B 2 89  ILE 89  418 418 ILE ILE EEE . n 
B 2 90  ALA 90  419 419 ALA ALA EEE . n 
B 2 91  ASP 91  420 420 ASP ASP EEE . n 
B 2 92  TYR 92  421 421 TYR TYR EEE . n 
B 2 93  ASN 93  422 422 ASN ASN EEE . n 
B 2 94  TYR 94  423 423 TYR TYR EEE . n 
B 2 95  LYS 95  424 424 LYS LYS EEE . n 
B 2 96  LEU 96  425 425 LEU LEU EEE . n 
B 2 97  PRO 97  426 426 PRO PRO EEE . n 
B 2 98  ASP 98  427 427 ASP ASP EEE . n 
B 2 99  ASP 99  428 428 ASP ASP EEE . n 
B 2 100 PHE 100 429 429 PHE PHE EEE . n 
B 2 101 THR 101 430 430 THR THR EEE . n 
B 2 102 GLY 102 431 431 GLY GLY EEE . n 
B 2 103 CYS 103 432 432 CYS CYS EEE . n 
B 2 104 VAL 104 433 433 VAL VAL EEE . n 
B 2 105 ILE 105 434 434 ILE ILE EEE . n 
B 2 106 ALA 106 435 435 ALA ALA EEE . n 
B 2 107 TRP 107 436 436 TRP TRP EEE . n 
B 2 108 ASN 108 437 437 ASN ASN EEE . n 
B 2 109 SER 109 438 438 SER SER EEE . n 
B 2 110 ASN 110 439 439 ASN ASN EEE . n 
B 2 111 ASN 111 440 440 ASN ASN EEE . n 
B 2 112 LEU 112 441 441 LEU LEU EEE . n 
B 2 113 ASP 113 442 442 ASP ASP EEE . n 
B 2 114 SER 114 443 443 SER SER EEE . n 
B 2 115 LYS 115 444 444 LYS LYS EEE . n 
B 2 116 VAL 116 445 445 VAL VAL EEE . n 
B 2 117 GLY 117 446 446 GLY GLY EEE . n 
B 2 118 GLY 118 447 447 GLY GLY EEE . n 
B 2 119 ASN 119 448 448 ASN ASN EEE . n 
B 2 120 TYR 120 449 449 TYR TYR EEE . n 
B 2 121 ASN 121 450 450 ASN ASN EEE . n 
B 2 122 TYR 122 451 451 TYR TYR EEE . n 
B 2 123 LEU 123 452 452 LEU LEU EEE . n 
B 2 124 TYR 124 453 453 TYR TYR EEE . n 
B 2 125 ARG 125 454 454 ARG ARG EEE . n 
B 2 126 LEU 126 455 455 LEU LEU EEE . n 
B 2 127 PHE 127 456 456 PHE PHE EEE . n 
B 2 128 ARG 128 457 457 ARG ARG EEE . n 
B 2 129 LYS 129 458 458 LYS LYS EEE . n 
B 2 130 SER 130 459 459 SER SER EEE . n 
B 2 131 ASN 131 460 460 ASN ASN EEE . n 
B 2 132 LEU 132 461 461 LEU LEU EEE . n 
B 2 133 LYS 133 462 462 LYS LYS EEE . n 
B 2 134 PRO 134 463 463 PRO PRO EEE . n 
B 2 135 PHE 135 464 464 PHE PHE EEE . n 
B 2 136 GLU 136 465 465 GLU GLU EEE . n 
B 2 137 ARG 137 466 466 ARG ARG EEE . n 
B 2 138 ASP 138 467 467 ASP ASP EEE . n 
B 2 139 ILE 139 468 468 ILE ILE EEE . n 
B 2 140 SER 140 469 469 SER SER EEE . n 
B 2 141 THR 141 470 470 THR THR EEE . n 
B 2 142 GLU 142 471 471 GLU GLU EEE . n 
B 2 143 ILE 143 472 472 ILE ILE EEE . n 
B 2 144 TYR 144 473 473 TYR TYR EEE . n 
B 2 145 GLN 145 474 474 GLN GLN EEE . n 
B 2 146 ALA 146 475 475 ALA ALA EEE . n 
B 2 147 GLY 147 476 476 GLY GLY EEE . n 
B 2 148 SER 148 477 477 SER SER EEE . n 
B 2 149 THR 149 478 478 THR THR EEE . n 
B 2 150 PRO 150 479 479 PRO PRO EEE . n 
B 2 151 CYS 151 480 480 CYS CYS EEE . n 
B 2 152 ASN 152 481 481 ASN ASN EEE . n 
B 2 153 GLY 153 482 482 GLY GLY EEE . n 
B 2 154 VAL 154 483 483 VAL VAL EEE . n 
B 2 155 GLU 155 484 484 GLU GLU EEE . n 
B 2 156 GLY 156 485 485 GLY GLY EEE . n 
B 2 157 PHE 157 486 486 PHE PHE EEE . n 
B 2 158 ASN 158 487 487 ASN ASN EEE . n 
B 2 159 CYS 159 488 488 CYS CYS EEE . n 
B 2 160 TYR 160 489 489 TYR TYR EEE . n 
B 2 161 PHE 161 490 490 PHE PHE EEE . n 
B 2 162 PRO 162 491 491 PRO PRO EEE . n 
B 2 163 LEU 163 492 492 LEU LEU EEE . n 
B 2 164 GLN 164 493 493 GLN GLN EEE . n 
B 2 165 SER 165 494 494 SER SER EEE . n 
B 2 166 TYR 166 495 495 TYR TYR EEE . n 
B 2 167 GLY 167 496 496 GLY GLY EEE . n 
B 2 168 PHE 168 497 497 PHE PHE EEE . n 
B 2 169 GLN 169 498 498 GLN GLN EEE . n 
B 2 170 PRO 170 499 499 PRO PRO EEE . n 
B 2 171 THR 171 500 500 THR THR EEE . n 
B 2 172 TYR 172 501 501 TYR TYR EEE . n 
B 2 173 GLY 173 502 502 GLY GLY EEE . n 
B 2 174 VAL 174 503 503 VAL VAL EEE . n 
B 2 175 GLY 175 504 504 GLY GLY EEE . n 
B 2 176 TYR 176 505 505 TYR TYR EEE . n 
B 2 177 GLN 177 506 506 GLN GLN EEE . n 
B 2 178 PRO 178 507 507 PRO PRO EEE . n 
B 2 179 TYR 179 508 508 TYR TYR EEE . n 
B 2 180 ARG 180 509 509 ARG ARG EEE . n 
B 2 181 VAL 181 510 510 VAL VAL EEE . n 
B 2 182 VAL 182 511 511 VAL VAL EEE . n 
B 2 183 VAL 183 512 512 VAL VAL EEE . n 
B 2 184 LEU 184 513 513 LEU LEU EEE . n 
B 2 185 SER 185 514 514 SER SER EEE . n 
B 2 186 PHE 186 515 515 PHE PHE EEE . n 
B 2 187 GLU 187 516 516 GLU GLU EEE . n 
B 2 188 LEU 188 517 517 LEU LEU EEE . n 
B 2 189 LEU 189 518 518 LEU LEU EEE . n 
B 2 190 HIS 190 519 519 HIS HIS EEE . n 
B 2 191 ALA 191 520 520 ALA ALA EEE . n 
B 2 192 PRO 192 521 521 PRO PRO EEE . n 
B 2 193 ALA 193 522 522 ALA ALA EEE . n 
B 2 194 THR 194 523 523 THR THR EEE . n 
B 2 195 VAL 195 524 524 VAL VAL EEE . n 
B 2 196 CYS 196 525 525 CYS CYS EEE . n 
B 2 197 GLY 197 526 526 GLY GLY EEE . n 
B 2 198 PRO 198 527 527 PRO PRO EEE . n 
B 2 199 LYS 199 528 528 LYS LYS EEE . n 
B 2 200 LYS 200 529 529 LYS LYS EEE . n 
B 2 201 SER 201 530 530 SER SER EEE . n 
B 2 202 THR 202 531 ?   ?   ?   EEE . n 
B 2 203 ASN 203 532 ?   ?   ?   EEE . n 
B 2 204 LYS 204 533 ?   ?   ?   EEE . n 
B 2 205 HIS 205 534 ?   ?   ?   EEE . n 
B 2 206 HIS 206 535 ?   ?   ?   EEE . n 
B 2 207 HIS 207 536 ?   ?   ?   EEE . n 
B 2 208 HIS 208 537 ?   ?   ?   EEE . n 
B 2 209 HIS 209 538 ?   ?   ?   EEE . n 
B 2 210 HIS 210 539 ?   ?   ?   EEE . n 
C 3 1   MET 1   -1  ?   ?   ?   FFF . n 
C 3 2   ALA 2   0   ?   ?   ?   FFF . n 
C 3 3   GLN 3   1   1   GLN GLN FFF . n 
C 3 4   VAL 4   2   2   VAL VAL FFF . n 
C 3 5   GLN 5   3   3   GLN GLN FFF . n 
C 3 6   LEU 6   4   4   LEU LEU FFF . n 
C 3 7   VAL 7   5   5   VAL VAL FFF . n 
C 3 8   GLU 8   6   6   GLU GLU FFF . n 
C 3 9   SER 9   7   7   SER SER FFF . n 
C 3 10  GLY 10  8   8   GLY GLY FFF . n 
C 3 11  GLY 11  9   9   GLY GLY FFF . n 
C 3 12  GLY 12  10  10  GLY GLY FFF . n 
C 3 13  LEU 13  11  11  LEU LEU FFF . n 
C 3 14  VAL 14  12  12  VAL VAL FFF . n 
C 3 15  LYS 15  13  13  LYS LYS FFF . n 
C 3 16  THR 16  14  14  THR THR FFF . n 
C 3 17  GLY 17  15  15  GLY GLY FFF . n 
C 3 18  GLY 18  16  16  GLY GLY FFF . n 
C 3 19  SER 19  17  17  SER SER FFF . n 
C 3 20  LEU 20  18  18  LEU LEU FFF . n 
C 3 21  ARG 21  19  19  ARG ARG FFF . n 
C 3 22  LEU 22  20  20  LEU LEU FFF . n 
C 3 23  SER 23  21  21  SER SER FFF . n 
C 3 24  CYS 24  22  22  CYS CYS FFF . n 
C 3 25  ALA 25  23  23  ALA ALA FFF . n 
C 3 26  ALA 26  24  24  ALA ALA FFF . n 
C 3 27  SER 27  25  25  SER SER FFF . n 
C 3 28  GLY 28  26  26  GLY GLY FFF . n 
C 3 29  ARG 29  27  27  ARG ARG FFF . n 
C 3 30  THR 30  28  28  THR THR FFF . n 
C 3 31  PHE 31  29  29  PHE PHE FFF . n 
C 3 32  SER 32  30  30  SER SER FFF . n 
C 3 33  THR 33  31  31  THR THR FFF . n 
C 3 34  TYR 34  32  32  TYR TYR FFF . n 
C 3 35  SER 35  33  33  SER SER FFF . n 
C 3 36  MET 36  34  34  MET MET FFF . n 
C 3 37  GLY 37  35  35  GLY GLY FFF . n 
C 3 38  TRP 38  36  36  TRP TRP FFF . n 
C 3 39  PHE 39  37  37  PHE PHE FFF . n 
C 3 40  ARG 40  38  38  ARG ARG FFF . n 
C 3 41  GLN 41  39  39  GLN GLN FFF . n 
C 3 42  ALA 42  40  40  ALA ALA FFF . n 
C 3 43  PRO 43  41  41  PRO PRO FFF . n 
C 3 44  GLY 44  42  42  GLY GLY FFF . n 
C 3 45  LYS 45  43  43  LYS LYS FFF . n 
C 3 46  GLU 46  44  44  GLU GLU FFF . n 
C 3 47  ARG 47  45  45  ARG ARG FFF . n 
C 3 48  GLU 48  46  46  GLU GLU FFF . n 
C 3 49  PHE 49  47  47  PHE PHE FFF . n 
C 3 50  VAL 50  48  48  VAL VAL FFF . n 
C 3 51  ALA 51  49  49  ALA ALA FFF . n 
C 3 52  GLY 52  50  50  GLY GLY FFF . n 
C 3 53  MET 53  51  51  MET MET FFF . n 
C 3 54  ARG 54  52  52  ARG ARG FFF . n 
C 3 55  TRP 55  53  53  TRP TRP FFF . n 
C 3 56  THR 56  54  54  THR THR FFF . n 
C 3 57  GLY 57  55  55  GLY GLY FFF . n 
C 3 58  SER 58  56  56  SER SER FFF . n 
C 3 59  SER 59  57  57  SER SER FFF . n 
C 3 60  THR 60  58  58  THR THR FFF . n 
C 3 61  PHE 61  59  59  PHE PHE FFF . n 
C 3 62  TYR 62  60  60  TYR TYR FFF . n 
C 3 63  SER 63  61  61  SER SER FFF . n 
C 3 64  ASP 64  62  62  ASP ASP FFF . n 
C 3 65  SER 65  63  63  SER SER FFF . n 
C 3 66  VAL 66  64  64  VAL VAL FFF . n 
C 3 67  LYS 67  65  65  LYS LYS FFF . n 
C 3 68  GLY 68  66  66  GLY GLY FFF . n 
C 3 69  ARG 69  67  67  ARG ARG FFF . n 
C 3 70  PHE 70  68  68  PHE PHE FFF . n 
C 3 71  THR 71  69  69  THR THR FFF . n 
C 3 72  VAL 72  70  70  VAL VAL FFF . n 
C 3 73  SER 73  71  71  SER SER FFF . n 
C 3 74  ARG 74  72  72  ARG ARG FFF . n 
C 3 75  ASN 75  73  73  ASN ASN FFF . n 
C 3 76  ASN 76  74  74  ASN ASN FFF . n 
C 3 77  ALA 77  75  75  ALA ALA FFF . n 
C 3 78  LYS 78  76  76  LYS LYS FFF . n 
C 3 79  ASP 79  77  77  ASP ASP FFF . n 
C 3 80  THR 80  78  78  THR THR FFF . n 
C 3 81  VAL 81  79  79  VAL VAL FFF . n 
C 3 82  TYR 82  80  80  TYR TYR FFF . n 
C 3 83  LEU 83  81  81  LEU LEU FFF . n 
C 3 84  HIS 84  82  82  HIS HIS FFF . n 
C 3 85  MET 85  83  83  MET MET FFF . n 
C 3 86  ASN 86  84  84  ASN ASN FFF . n 
C 3 87  SER 87  85  85  SER SER FFF . n 
C 3 88  LEU 88  86  86  LEU LEU FFF . n 
C 3 89  LYS 89  87  87  LYS LYS FFF . n 
C 3 90  PRO 90  88  88  PRO PRO FFF . n 
C 3 91  GLU 91  89  89  GLU GLU FFF . n 
C 3 92  ASP 92  90  90  ASP ASP FFF . n 
C 3 93  THR 93  91  91  THR THR FFF . n 
C 3 94  ALA 94  92  92  ALA ALA FFF . n 
C 3 95  VAL 95  93  93  VAL VAL FFF . n 
C 3 96  TYR 96  94  94  TYR TYR FFF . n 
C 3 97  TYR 97  95  95  TYR TYR FFF . n 
C 3 98  CYS 98  96  96  CYS CYS FFF . n 
C 3 99  ALA 99  97  97  ALA ALA FFF . n 
C 3 100 ILE 100 98  98  ILE ILE FFF . n 
C 3 101 THR 101 99  99  THR THR FFF . n 
C 3 102 THR 102 100 100 THR THR FFF . n 
C 3 103 ILE 103 101 101 ILE ILE FFF . n 
C 3 104 VAL 104 102 102 VAL VAL FFF . n 
C 3 105 ARG 105 103 103 ARG ARG FFF . n 
C 3 106 ALA 106 104 104 ALA ALA FFF . n 
C 3 107 TYR 107 105 105 TYR TYR FFF . n 
C 3 108 TYR 108 106 106 TYR TYR FFF . n 
C 3 109 THR 109 107 107 THR THR FFF . n 
C 3 110 GLU 110 108 108 GLU GLU FFF . n 
C 3 111 TYR 111 109 109 TYR TYR FFF . n 
C 3 112 THR 112 110 110 THR THR FFF . n 
C 3 113 GLU 113 111 111 GLU GLU FFF . n 
C 3 114 ALA 114 112 112 ALA ALA FFF . n 
C 3 115 ASP 115 113 113 ASP ASP FFF . n 
C 3 116 PHE 116 114 114 PHE PHE FFF . n 
C 3 117 GLY 117 115 115 GLY GLY FFF . n 
C 3 118 SER 118 116 116 SER SER FFF . n 
C 3 119 TRP 119 117 117 TRP TRP FFF . n 
C 3 120 GLY 120 118 118 GLY GLY FFF . n 
C 3 121 GLN 121 119 119 GLN GLN FFF . n 
C 3 122 GLY 122 120 120 GLY GLY FFF . n 
C 3 123 THR 123 121 121 THR THR FFF . n 
C 3 124 GLN 124 122 122 GLN GLN FFF . n 
C 3 125 VAL 125 123 123 VAL VAL FFF . n 
C 3 126 THR 126 124 124 THR THR FFF . n 
C 3 127 VAL 127 125 125 VAL VAL FFF . n 
C 3 128 SER 128 126 126 SER SER FFF . n 
C 3 129 SER 129 127 127 SER SER FFF . n 
C 3 130 LYS 130 128 ?   ?   ?   FFF . n 
C 3 131 HIS 131 129 ?   ?   ?   FFF . n 
C 3 132 HIS 132 130 ?   ?   ?   FFF . n 
C 3 133 HIS 133 131 ?   ?   ?   FFF . n 
C 3 134 HIS 134 132 ?   ?   ?   FFF . n 
C 3 135 HIS 135 133 ?   ?   ?   FFF . n 
C 3 136 HIS 136 134 ?   ?   ?   FFF . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
D 4 NAG 1   601 635 NAG NAG EEE . 
E 5 CIT 1   602 2   CIT CIT EEE . 
F 6 CL  1   201 1   CL  CL  FFF . 
G 7 HOH 1   201 201 HOH HOH AAA . 
G 7 HOH 2   202 302 HOH HOH AAA . 
G 7 HOH 3   203 396 HOH HOH AAA . 
G 7 HOH 4   204 135 HOH HOH AAA . 
G 7 HOH 5   205 326 HOH HOH AAA . 
G 7 HOH 6   206 253 HOH HOH AAA . 
G 7 HOH 7   207 385 HOH HOH AAA . 
G 7 HOH 8   208 210 HOH HOH AAA . 
G 7 HOH 9   209 15  HOH HOH AAA . 
G 7 HOH 10  210 364 HOH HOH AAA . 
G 7 HOH 11  211 147 HOH HOH AAA . 
G 7 HOH 12  212 69  HOH HOH AAA . 
G 7 HOH 13  213 238 HOH HOH AAA . 
G 7 HOH 14  214 99  HOH HOH AAA . 
G 7 HOH 15  215 249 HOH HOH AAA . 
G 7 HOH 16  216 224 HOH HOH AAA . 
G 7 HOH 17  217 174 HOH HOH AAA . 
G 7 HOH 18  218 395 HOH HOH AAA . 
G 7 HOH 19  219 363 HOH HOH AAA . 
G 7 HOH 20  220 146 HOH HOH AAA . 
G 7 HOH 21  221 374 HOH HOH AAA . 
G 7 HOH 22  222 117 HOH HOH AAA . 
G 7 HOH 23  223 303 HOH HOH AAA . 
G 7 HOH 24  224 55  HOH HOH AAA . 
G 7 HOH 25  225 266 HOH HOH AAA . 
G 7 HOH 26  226 265 HOH HOH AAA . 
G 7 HOH 27  227 391 HOH HOH AAA . 
G 7 HOH 28  228 282 HOH HOH AAA . 
G 7 HOH 29  229 133 HOH HOH AAA . 
G 7 HOH 30  230 393 HOH HOH AAA . 
H 7 HOH 1   701 143 HOH HOH EEE . 
H 7 HOH 2   702 206 HOH HOH EEE . 
H 7 HOH 3   703 100 HOH HOH EEE . 
H 7 HOH 4   704 168 HOH HOH EEE . 
H 7 HOH 5   705 222 HOH HOH EEE . 
H 7 HOH 6   706 333 HOH HOH EEE . 
H 7 HOH 7   707 162 HOH HOH EEE . 
H 7 HOH 8   708 111 HOH HOH EEE . 
H 7 HOH 9   709 67  HOH HOH EEE . 
H 7 HOH 10  710 141 HOH HOH EEE . 
H 7 HOH 11  711 214 HOH HOH EEE . 
H 7 HOH 12  712 178 HOH HOH EEE . 
H 7 HOH 13  713 250 HOH HOH EEE . 
H 7 HOH 14  714 248 HOH HOH EEE . 
H 7 HOH 15  715 241 HOH HOH EEE . 
H 7 HOH 16  716 243 HOH HOH EEE . 
H 7 HOH 17  717 71  HOH HOH EEE . 
H 7 HOH 18  718 180 HOH HOH EEE . 
H 7 HOH 19  719 34  HOH HOH EEE . 
H 7 HOH 20  720 103 HOH HOH EEE . 
H 7 HOH 21  721 65  HOH HOH EEE . 
H 7 HOH 22  722 264 HOH HOH EEE . 
H 7 HOH 23  723 46  HOH HOH EEE . 
H 7 HOH 24  724 44  HOH HOH EEE . 
H 7 HOH 25  725 240 HOH HOH EEE . 
H 7 HOH 26  726 343 HOH HOH EEE . 
H 7 HOH 27  727 225 HOH HOH EEE . 
H 7 HOH 28  728 17  HOH HOH EEE . 
H 7 HOH 29  729 334 HOH HOH EEE . 
H 7 HOH 30  730 191 HOH HOH EEE . 
H 7 HOH 31  731 124 HOH HOH EEE . 
H 7 HOH 32  732 372 HOH HOH EEE . 
H 7 HOH 33  733 369 HOH HOH EEE . 
H 7 HOH 34  734 9   HOH HOH EEE . 
H 7 HOH 35  735 148 HOH HOH EEE . 
H 7 HOH 36  736 89  HOH HOH EEE . 
H 7 HOH 37  737 129 HOH HOH EEE . 
H 7 HOH 38  738 18  HOH HOH EEE . 
H 7 HOH 39  739 11  HOH HOH EEE . 
H 7 HOH 40  740 231 HOH HOH EEE . 
H 7 HOH 41  741 41  HOH HOH EEE . 
H 7 HOH 42  742 186 HOH HOH EEE . 
H 7 HOH 43  743 209 HOH HOH EEE . 
H 7 HOH 44  744 230 HOH HOH EEE . 
H 7 HOH 45  745 12  HOH HOH EEE . 
H 7 HOH 46  746 173 HOH HOH EEE . 
H 7 HOH 47  747 50  HOH HOH EEE . 
H 7 HOH 48  748 54  HOH HOH EEE . 
H 7 HOH 49  749 59  HOH HOH EEE . 
H 7 HOH 50  750 112 HOH HOH EEE . 
H 7 HOH 51  751 121 HOH HOH EEE . 
H 7 HOH 52  752 150 HOH HOH EEE . 
H 7 HOH 53  753 73  HOH HOH EEE . 
H 7 HOH 54  754 6   HOH HOH EEE . 
H 7 HOH 55  755 70  HOH HOH EEE . 
H 7 HOH 56  756 165 HOH HOH EEE . 
H 7 HOH 57  757 367 HOH HOH EEE . 
H 7 HOH 58  758 382 HOH HOH EEE . 
H 7 HOH 59  759 82  HOH HOH EEE . 
H 7 HOH 60  760 19  HOH HOH EEE . 
H 7 HOH 61  761 36  HOH HOH EEE . 
H 7 HOH 62  762 61  HOH HOH EEE . 
H 7 HOH 63  763 242 HOH HOH EEE . 
H 7 HOH 64  764 137 HOH HOH EEE . 
H 7 HOH 65  765 190 HOH HOH EEE . 
H 7 HOH 66  766 60  HOH HOH EEE . 
H 7 HOH 67  767 389 HOH HOH EEE . 
H 7 HOH 68  768 38  HOH HOH EEE . 
H 7 HOH 69  769 87  HOH HOH EEE . 
H 7 HOH 70  770 159 HOH HOH EEE . 
H 7 HOH 71  771 90  HOH HOH EEE . 
H 7 HOH 72  772 290 HOH HOH EEE . 
H 7 HOH 73  773 175 HOH HOH EEE . 
H 7 HOH 74  774 24  HOH HOH EEE . 
H 7 HOH 75  775 88  HOH HOH EEE . 
H 7 HOH 76  776 278 HOH HOH EEE . 
H 7 HOH 77  777 77  HOH HOH EEE . 
H 7 HOH 78  778 358 HOH HOH EEE . 
H 7 HOH 79  779 226 HOH HOH EEE . 
H 7 HOH 80  780 8   HOH HOH EEE . 
H 7 HOH 81  781 217 HOH HOH EEE . 
H 7 HOH 82  782 291 HOH HOH EEE . 
H 7 HOH 83  783 171 HOH HOH EEE . 
H 7 HOH 84  784 108 HOH HOH EEE . 
H 7 HOH 85  785 79  HOH HOH EEE . 
H 7 HOH 86  786 42  HOH HOH EEE . 
H 7 HOH 87  787 292 HOH HOH EEE . 
H 7 HOH 88  788 132 HOH HOH EEE . 
H 7 HOH 89  789 43  HOH HOH EEE . 
H 7 HOH 90  790 312 HOH HOH EEE . 
H 7 HOH 91  791 236 HOH HOH EEE . 
H 7 HOH 92  792 31  HOH HOH EEE . 
H 7 HOH 93  793 109 HOH HOH EEE . 
H 7 HOH 94  794 375 HOH HOH EEE . 
H 7 HOH 95  795 181 HOH HOH EEE . 
H 7 HOH 96  796 142 HOH HOH EEE . 
H 7 HOH 97  797 213 HOH HOH EEE . 
H 7 HOH 98  798 261 HOH HOH EEE . 
H 7 HOH 99  799 245 HOH HOH EEE . 
H 7 HOH 100 800 376 HOH HOH EEE . 
H 7 HOH 101 801 140 HOH HOH EEE . 
H 7 HOH 102 802 68  HOH HOH EEE . 
H 7 HOH 103 803 1   HOH HOH EEE . 
H 7 HOH 104 804 28  HOH HOH EEE . 
H 7 HOH 105 805 339 HOH HOH EEE . 
H 7 HOH 106 806 110 HOH HOH EEE . 
H 7 HOH 107 807 221 HOH HOH EEE . 
H 7 HOH 108 808 259 HOH HOH EEE . 
H 7 HOH 109 809 118 HOH HOH EEE . 
H 7 HOH 110 810 107 HOH HOH EEE . 
H 7 HOH 111 811 335 HOH HOH EEE . 
H 7 HOH 112 812 317 HOH HOH EEE . 
H 7 HOH 113 813 139 HOH HOH EEE . 
H 7 HOH 114 814 85  HOH HOH EEE . 
H 7 HOH 115 815 27  HOH HOH EEE . 
H 7 HOH 116 816 76  HOH HOH EEE . 
H 7 HOH 117 817 353 HOH HOH EEE . 
H 7 HOH 118 818 211 HOH HOH EEE . 
H 7 HOH 119 819 63  HOH HOH EEE . 
H 7 HOH 120 820 128 HOH HOH EEE . 
H 7 HOH 121 821 327 HOH HOH EEE . 
H 7 HOH 122 822 26  HOH HOH EEE . 
H 7 HOH 123 823 144 HOH HOH EEE . 
H 7 HOH 124 824 93  HOH HOH EEE . 
H 7 HOH 125 825 51  HOH HOH EEE . 
H 7 HOH 126 826 365 HOH HOH EEE . 
H 7 HOH 127 827 62  HOH HOH EEE . 
H 7 HOH 128 828 381 HOH HOH EEE . 
H 7 HOH 129 829 336 HOH HOH EEE . 
H 7 HOH 130 830 3   HOH HOH EEE . 
H 7 HOH 131 831 295 HOH HOH EEE . 
H 7 HOH 132 832 47  HOH HOH EEE . 
H 7 HOH 133 833 296 HOH HOH EEE . 
H 7 HOH 134 834 167 HOH HOH EEE . 
H 7 HOH 135 835 227 HOH HOH EEE . 
H 7 HOH 136 836 72  HOH HOH EEE . 
H 7 HOH 137 837 218 HOH HOH EEE . 
H 7 HOH 138 838 81  HOH HOH EEE . 
H 7 HOH 139 839 386 HOH HOH EEE . 
H 7 HOH 140 840 29  HOH HOH EEE . 
H 7 HOH 141 841 324 HOH HOH EEE . 
H 7 HOH 142 842 176 HOH HOH EEE . 
H 7 HOH 143 843 161 HOH HOH EEE . 
H 7 HOH 144 844 37  HOH HOH EEE . 
H 7 HOH 145 845 378 HOH HOH EEE . 
H 7 HOH 146 846 392 HOH HOH EEE . 
H 7 HOH 147 847 14  HOH HOH EEE . 
H 7 HOH 148 848 136 HOH HOH EEE . 
H 7 HOH 149 849 113 HOH HOH EEE . 
H 7 HOH 150 850 215 HOH HOH EEE . 
H 7 HOH 151 851 192 HOH HOH EEE . 
H 7 HOH 152 852 200 HOH HOH EEE . 
H 7 HOH 153 853 86  HOH HOH EEE . 
H 7 HOH 154 854 273 HOH HOH EEE . 
H 7 HOH 155 855 101 HOH HOH EEE . 
H 7 HOH 156 856 5   HOH HOH EEE . 
H 7 HOH 157 857 21  HOH HOH EEE . 
H 7 HOH 158 858 138 HOH HOH EEE . 
H 7 HOH 159 859 275 HOH HOH EEE . 
H 7 HOH 160 860 145 HOH HOH EEE . 
H 7 HOH 161 861 394 HOH HOH EEE . 
H 7 HOH 162 862 258 HOH HOH EEE . 
H 7 HOH 163 863 287 HOH HOH EEE . 
H 7 HOH 164 864 299 HOH HOH EEE . 
H 7 HOH 165 865 204 HOH HOH EEE . 
H 7 HOH 166 866 96  HOH HOH EEE . 
H 7 HOH 167 867 223 HOH HOH EEE . 
H 7 HOH 168 868 313 HOH HOH EEE . 
H 7 HOH 169 869 347 HOH HOH EEE . 
H 7 HOH 170 870 260 HOH HOH EEE . 
H 7 HOH 171 871 279 HOH HOH EEE . 
H 7 HOH 172 872 310 HOH HOH EEE . 
H 7 HOH 173 873 348 HOH HOH EEE . 
H 7 HOH 174 874 185 HOH HOH EEE . 
H 7 HOH 175 875 373 HOH HOH EEE . 
H 7 HOH 176 876 283 HOH HOH EEE . 
H 7 HOH 177 877 216 HOH HOH EEE . 
H 7 HOH 178 878 193 HOH HOH EEE . 
H 7 HOH 179 879 338 HOH HOH EEE . 
H 7 HOH 180 880 97  HOH HOH EEE . 
H 7 HOH 181 881 212 HOH HOH EEE . 
H 7 HOH 182 882 293 HOH HOH EEE . 
H 7 HOH 183 883 276 HOH HOH EEE . 
H 7 HOH 184 884 83  HOH HOH EEE . 
H 7 HOH 185 885 289 HOH HOH EEE . 
H 7 HOH 186 886 202 HOH HOH EEE . 
H 7 HOH 187 887 388 HOH HOH EEE . 
H 7 HOH 188 888 360 HOH HOH EEE . 
H 7 HOH 189 889 269 HOH HOH EEE . 
H 7 HOH 190 890 284 HOH HOH EEE . 
H 7 HOH 191 891 274 HOH HOH EEE . 
H 7 HOH 192 892 234 HOH HOH EEE . 
H 7 HOH 193 893 277 HOH HOH EEE . 
H 7 HOH 194 894 131 HOH HOH EEE . 
H 7 HOH 195 895 362 HOH HOH EEE . 
H 7 HOH 196 896 197 HOH HOH EEE . 
H 7 HOH 197 897 286 HOH HOH EEE . 
H 7 HOH 198 898 325 HOH HOH EEE . 
H 7 HOH 199 899 280 HOH HOH EEE . 
H 7 HOH 200 900 298 HOH HOH EEE . 
H 7 HOH 201 901 379 HOH HOH EEE . 
H 7 HOH 202 902 383 HOH HOH EEE . 
H 7 HOH 203 903 251 HOH HOH EEE . 
H 7 HOH 204 904 208 HOH HOH EEE . 
H 7 HOH 205 905 305 HOH HOH EEE . 
H 7 HOH 206 906 244 HOH HOH EEE . 
I 7 HOH 1   301 301 HOH HOH FFF . 
I 7 HOH 2   302 246 HOH HOH FFF . 
I 7 HOH 3   303 239 HOH HOH FFF . 
I 7 HOH 4   304 149 HOH HOH FFF . 
I 7 HOH 5   305 344 HOH HOH FFF . 
I 7 HOH 6   306 329 HOH HOH FFF . 
I 7 HOH 7   307 331 HOH HOH FFF . 
I 7 HOH 8   308 328 HOH HOH FFF . 
I 7 HOH 9   309 345 HOH HOH FFF . 
I 7 HOH 10  310 156 HOH HOH FFF . 
I 7 HOH 11  311 199 HOH HOH FFF . 
I 7 HOH 12  312 127 HOH HOH FFF . 
I 7 HOH 13  313 307 HOH HOH FFF . 
I 7 HOH 14  314 384 HOH HOH FFF . 
I 7 HOH 15  315 53  HOH HOH FFF . 
I 7 HOH 16  316 228 HOH HOH FFF . 
I 7 HOH 17  317 39  HOH HOH FFF . 
I 7 HOH 18  318 153 HOH HOH FFF . 
I 7 HOH 19  319 66  HOH HOH FFF . 
I 7 HOH 20  320 268 HOH HOH FFF . 
I 7 HOH 21  321 56  HOH HOH FFF . 
I 7 HOH 22  322 390 HOH HOH FFF . 
I 7 HOH 23  323 119 HOH HOH FFF . 
I 7 HOH 24  324 130 HOH HOH FFF . 
I 7 HOH 25  325 49  HOH HOH FFF . 
I 7 HOH 26  326 203 HOH HOH FFF . 
I 7 HOH 27  327 91  HOH HOH FFF . 
I 7 HOH 28  328 151 HOH HOH FFF . 
I 7 HOH 29  329 158 HOH HOH FFF . 
I 7 HOH 30  330 361 HOH HOH FFF . 
I 7 HOH 31  331 183 HOH HOH FFF . 
I 7 HOH 32  332 33  HOH HOH FFF . 
I 7 HOH 33  333 52  HOH HOH FFF . 
I 7 HOH 34  334 155 HOH HOH FFF . 
I 7 HOH 35  335 32  HOH HOH FFF . 
I 7 HOH 36  336 164 HOH HOH FFF . 
I 7 HOH 37  337 115 HOH HOH FFF . 
I 7 HOH 38  338 194 HOH HOH FFF . 
I 7 HOH 39  339 220 HOH HOH FFF . 
I 7 HOH 40  340 48  HOH HOH FFF . 
I 7 HOH 41  341 64  HOH HOH FFF . 
I 7 HOH 42  342 4   HOH HOH FFF . 
I 7 HOH 43  343 172 HOH HOH FFF . 
I 7 HOH 44  344 78  HOH HOH FFF . 
I 7 HOH 45  345 45  HOH HOH FFF . 
I 7 HOH 46  346 195 HOH HOH FFF . 
I 7 HOH 47  347 232 HOH HOH FFF . 
I 7 HOH 48  348 235 HOH HOH FFF . 
I 7 HOH 49  349 23  HOH HOH FFF . 
I 7 HOH 50  350 247 HOH HOH FFF . 
I 7 HOH 51  351 123 HOH HOH FFF . 
I 7 HOH 52  352 95  HOH HOH FFF . 
I 7 HOH 53  353 80  HOH HOH FFF . 
I 7 HOH 54  354 255 HOH HOH FFF . 
I 7 HOH 55  355 35  HOH HOH FFF . 
I 7 HOH 56  356 122 HOH HOH FFF . 
I 7 HOH 57  357 20  HOH HOH FFF . 
I 7 HOH 58  358 58  HOH HOH FFF . 
I 7 HOH 59  359 105 HOH HOH FFF . 
I 7 HOH 60  360 92  HOH HOH FFF . 
I 7 HOH 61  361 256 HOH HOH FFF . 
I 7 HOH 62  362 98  HOH HOH FFF . 
I 7 HOH 63  363 84  HOH HOH FFF . 
I 7 HOH 64  364 350 HOH HOH FFF . 
I 7 HOH 65  365 25  HOH HOH FFF . 
I 7 HOH 66  366 368 HOH HOH FFF . 
I 7 HOH 67  367 120 HOH HOH FFF . 
I 7 HOH 68  368 160 HOH HOH FFF . 
I 7 HOH 69  369 188 HOH HOH FFF . 
I 7 HOH 70  370 187 HOH HOH FFF . 
I 7 HOH 71  371 13  HOH HOH FFF . 
I 7 HOH 72  372 10  HOH HOH FFF . 
I 7 HOH 73  373 75  HOH HOH FFF . 
I 7 HOH 74  374 102 HOH HOH FFF . 
I 7 HOH 75  375 166 HOH HOH FFF . 
I 7 HOH 76  376 184 HOH HOH FFF . 
I 7 HOH 77  377 154 HOH HOH FFF . 
I 7 HOH 78  378 205 HOH HOH FFF . 
I 7 HOH 79  379 30  HOH HOH FFF . 
I 7 HOH 80  380 57  HOH HOH FFF . 
I 7 HOH 81  381 357 HOH HOH FFF . 
I 7 HOH 82  382 157 HOH HOH FFF . 
I 7 HOH 83  383 125 HOH HOH FFF . 
I 7 HOH 84  384 189 HOH HOH FFF . 
I 7 HOH 85  385 16  HOH HOH FFF . 
I 7 HOH 86  386 337 HOH HOH FFF . 
I 7 HOH 87  387 40  HOH HOH FFF . 
I 7 HOH 88  388 294 HOH HOH FFF . 
I 7 HOH 89  389 22  HOH HOH FFF . 
I 7 HOH 90  390 106 HOH HOH FFF . 
I 7 HOH 91  391 7   HOH HOH FFF . 
I 7 HOH 92  392 170 HOH HOH FFF . 
I 7 HOH 93  393 104 HOH HOH FFF . 
I 7 HOH 94  394 330 HOH HOH FFF . 
I 7 HOH 95  395 263 HOH HOH FFF . 
I 7 HOH 96  396 354 HOH HOH FFF . 
I 7 HOH 97  397 74  HOH HOH FFF . 
I 7 HOH 98  398 349 HOH HOH FFF . 
I 7 HOH 99  399 229 HOH HOH FFF . 
I 7 HOH 100 400 297 HOH HOH FFF . 
I 7 HOH 101 401 134 HOH HOH FFF . 
I 7 HOH 102 402 257 HOH HOH FFF . 
I 7 HOH 103 403 198 HOH HOH FFF . 
I 7 HOH 104 404 272 HOH HOH FFF . 
I 7 HOH 105 405 380 HOH HOH FFF . 
I 7 HOH 106 406 341 HOH HOH FFF . 
I 7 HOH 107 407 323 HOH HOH FFF . 
I 7 HOH 108 408 355 HOH HOH FFF . 
I 7 HOH 109 409 267 HOH HOH FFF . 
I 7 HOH 110 410 342 HOH HOH FFF . 
I 7 HOH 111 411 359 HOH HOH FFF . 
I 7 HOH 112 412 152 HOH HOH FFF . 
I 7 HOH 113 413 340 HOH HOH FFF . 
I 7 HOH 114 414 387 HOH HOH FFF . 
I 7 HOH 115 415 94  HOH HOH FFF . 
I 7 HOH 116 416 322 HOH HOH FFF . 
I 7 HOH 117 417 321 HOH HOH FFF . 
I 7 HOH 118 418 319 HOH HOH FFF . 
I 7 HOH 119 419 306 HOH HOH FFF . 
I 7 HOH 120 420 370 HOH HOH FFF . 
I 7 HOH 121 421 163 HOH HOH FFF . 
I 7 HOH 122 422 352 HOH HOH FFF . 
I 7 HOH 123 423 114 HOH HOH FFF . 
I 7 HOH 124 424 304 HOH HOH FFF . 
I 7 HOH 125 425 281 HOH HOH FFF . 
I 7 HOH 126 426 179 HOH HOH FFF . 
I 7 HOH 127 427 346 HOH HOH FFF . 
I 7 HOH 128 428 288 HOH HOH FFF . 
I 7 HOH 129 429 207 HOH HOH FFF . 
I 7 HOH 130 430 371 HOH HOH FFF . 
I 7 HOH 131 431 182 HOH HOH FFF . 
I 7 HOH 132 432 366 HOH HOH FFF . 
I 7 HOH 133 433 285 HOH HOH FFF . 
I 7 HOH 134 434 351 HOH HOH FFF . 
I 7 HOH 135 435 332 HOH HOH FFF . 
I 7 HOH 136 436 270 HOH HOH FFF . 
I 7 HOH 137 437 356 HOH HOH FFF . 
I 7 HOH 138 438 377 HOH HOH FFF . 
I 7 HOH 139 439 233 HOH HOH FFF . 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   trimeric 
_pdbx_struct_assembly.oligomeric_count     3 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I 
# 
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)' 3450  ? 
1 MORE         -16   ? 
1 'SSA (A^2)'  21020 ? 
# 
_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 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    EEE 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     801 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   H 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_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       2021-08-11 
# 
_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_
_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 16.9190  -15.2670 10.6360  0.6369 ? -0.1282 ? -0.0258 ? 0.5405 ? -0.0928 ? 0.1125 ? 4.1991  ? 
0.9967  ? -1.2366 ? 4.6212  ? -0.5286 ? 5.6984  ? 0.1564  ? -0.9005 ? -0.0635 ? 0.8081  ? -0.1031 ? -0.0449 ? -0.0984 ? 0.3673  ? 
-0.0533 ? 
2  'X-RAY DIFFRACTION' ? refined 14.9160  -14.9380 11.4300  0.6387 ? -0.1129 ? -0.0088 ? 0.5447 ? -0.1060 ? 0.1191 ? 3.4048  ? 
0.7335  ? -0.4104 ? 3.8798  ? 0.0517  ? 5.5278  ? 0.1652  ? -0.9563 ? 0.3617  ? 0.9783  ? -0.0710 ? 0.0457  ? -0.4062 ? 0.2191  ? 
-0.0942 ? 
3  'X-RAY DIFFRACTION' ? refined 7.5620   -9.3840  -19.9790 0.2876 ? 0.0345  ? 0.0232  ? 0.2504 ? 0.0164  ? 0.2220 ? 7.5222  ? 
5.6725  ? -0.8310 ? 11.2447 ? -0.3782 ? 1.5734  ? -0.0338 ? 0.3370  ? 0.4751  ? -0.3110 ? 0.1793  ? 0.3915  ? -0.2514 ? -0.0217 ? 
-0.1455 ? 
4  'X-RAY DIFFRACTION' ? refined 14.6550  -19.3950 -14.1080 0.1973 ? -0.0339 ? 0.0062  ? 0.1823 ? -0.0252 ? 0.0259 ? 1.3974  ? 
0.6187  ? -0.5455 ? 2.8087  ? 0.2228  ? 1.4508  ? 0.1320  ? -0.1528 ? 0.1772  ? 0.2330  ? -0.0535 ? -0.0101 ? -0.1717 ? 0.1325  ? 
-0.0785 ? 
5  'X-RAY DIFFRACTION' ? refined 20.3660  -33.2700 -23.4050 0.1535 ? 0.0022  ? 0.0186  ? 0.2082 ? -0.0178 ? 0.1083 ? 0.6925  ? 
1.6782  ? 0.3926  ? 6.7499  ? -0.1091 ? 1.4181  ? -0.0015 ? 0.1036  ? -0.1801 ? -0.0667 ? 0.1260  ? -0.5159 ? 0.0294  ? 0.3680  ? 
-0.1246 ? 
6  'X-RAY DIFFRACTION' ? refined 10.2860  -34.8610 -16.1490 0.1558 ? -0.0030 ? -0.0066 ? 0.1689 ? 0.0096  ? 0.0053 ? 0.6111  ? 
0.4650  ? 0.0283  ? 2.5967  ? 0.5228  ? 0.8115  ? 0.0270  ? -0.0764 ? -0.0137 ? 0.1636  ? -0.0046 ? 0.0481  ? 0.0294  ? 0.1284  ? 
-0.0224 ? 
7  'X-RAY DIFFRACTION' ? refined 25.0000  -1.5380  -21.1170 0.5515 ? 0.0664  ? 0.1365  ? 0.4368 ? -0.1676 ? 0.3444 ? 9.1567  ? 
-5.9370 ? -9.8607 ? 4.7740  ? 5.8855  ? 11.0153 ? 0.4839  ? -0.2334 ? 1.0507  ? 0.2235  ? 0.5469  ? -0.6736 ? -0.6990 ? 0.0259  ? 
-1.0308 ? 
8  'X-RAY DIFFRACTION' ? refined -10.2930 -49.6620 -35.7650 0.1676 ? -0.0257 ? -0.0174 ? 0.2424 ? -0.0034 ? 0.0325 ? 4.1113  ? 
1.1374  ? 0.6521  ? 11.0520 ? -2.4583 ? 2.8007  ? -0.0056 ? -0.0157 ? 0.0472  ? 0.1384  ? -0.0576 ? 0.2260  ? 0.0705  ? -0.2334 ? 
0.0632  ? 
9  'X-RAY DIFFRACTION' ? refined -2.8620  -49.4640 -35.6160 0.1731 ? -0.0004 ? -0.0132 ? 0.1809 ? -0.0164 ? 0.0106 ? 2.8876  ? 
-0.1222 ? 0.8739  ? 2.0772  ? 0.2678  ? 2.8532  ? 0.0342  ? 0.2656  ? -0.0814 ? -0.0732 ? -0.0267 ? 0.1285  ? 0.1386  ? 0.0098  ? 
-0.0075 ? 
10 'X-RAY DIFFRACTION' ? refined -9.3170  -55.3110 -21.8180 0.3509 ? 0.0022  ? 0.0872  ? 0.2717 ? 0.0594  ? 0.2320 ? 11.6513 ? 
2.1912  ? -3.1713 ? 0.4816  ? -0.1484 ? 6.2377  ? 0.1910  ? -0.6731 ? -0.0359 ? 0.1337  ? -0.1349 ? 0.0566  ? 0.3264  ? -0.5174 ? 
-0.0560 ? 
11 'X-RAY DIFFRACTION' ? refined -0.9780  -51.4620 -28.8150 0.1687 ? -0.0017 ? -0.0135 ? 0.1334 ? 0.0020  ? 0.0261 ? 1.7353  ? 
0.1149  ? 0.7317  ? 0.7892  ? 0.0942  ? 2.0528  ? 0.0407  ? 0.0002  ? -0.1809 ? -0.0070 ? -0.0097 ? 0.0497  ? 0.2115  ? -0.0529 ? 
-0.0310 ? 
# 
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  ? ? AAA 1   ? ? ? AAA 64  ? ALL ? 
2  'X-RAY DIFFRACTION' 2  ? ? AAA 65  ? ? ? AAA 124 ? ALL ? 
3  'X-RAY DIFFRACTION' 3  ? ? EEE 334 ? ? ? EEE 346 ? ALL ? 
4  'X-RAY DIFFRACTION' 4  ? ? EEE 347 ? ? ? EEE 457 ? ALL ? 
5  'X-RAY DIFFRACTION' 5  ? ? EEE 458 ? ? ? EEE 473 ? ALL ? 
6  'X-RAY DIFFRACTION' 6  ? ? EEE 474 ? ? ? EEE 515 ? ALL ? 
7  'X-RAY DIFFRACTION' 7  ? ? EEE 516 ? ? ? EEE 530 ? ALL ? 
8  'X-RAY DIFFRACTION' 8  ? ? FFF 1   ? ? ? FFF 12  ? ALL ? 
9  'X-RAY DIFFRACTION' 9  ? ? FFF 13  ? ? ? FFF 36  ? ALL ? 
10 'X-RAY DIFFRACTION' 10 ? ? FFF 37  ? ? ? FFF 47  ? ALL ? 
11 'X-RAY DIFFRACTION' 11 ? ? FFF 48  ? ? ? FFF 127 ? ALL ? 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .        4 
# 
_pdbx_entry_details.entry_id                 7OAQ 
_pdbx_entry_details.has_ligand_of_interest   N 
_pdbx_entry_details.compound_details         ? 
_pdbx_entry_details.source_details           ? 
_pdbx_entry_details.nonpolymer_details       ? 
_pdbx_entry_details.sequence_details         ? 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O   EEE HOH 721 ? ? O  FFF HOH 364 ? ? 1.89 
2 1 O6  EEE CIT 602 ? ? O  EEE HOH 701 ? ? 1.97 
3 1 O4  EEE CIT 602 ? ? O  EEE HOH 702 ? ? 2.01 
4 1 O3  EEE CIT 602 ? ? O  EEE HOH 703 ? ? 2.01 
5 1 O   FFF HOH 394 ? ? O  FFF HOH 400 ? ? 2.09 
6 1 O   EEE HOH 767 ? ? O  EEE HOH 868 ? ? 2.17 
7 1 OE2 EEE GLU 406 ? ? O5 EEE CIT 602 ? ? 2.19 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 MET AAA 85  ? ? 39.43   49.68  
2 1 ALA AAA 92  ? ? 173.87  166.96 
3 1 ASN EEE 422 ? ? -125.79 -55.45 
4 1 ALA FFF 92  ? ? 179.85  168.98 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      EEE 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       906 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.57 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
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 AAA LYS 125 ? A LYS 125 
2  1 Y 1 AAA HIS 126 ? A HIS 126 
3  1 Y 1 AAA HIS 127 ? A HIS 127 
4  1 Y 1 AAA HIS 128 ? A HIS 128 
5  1 Y 1 AAA HIS 129 ? A HIS 129 
6  1 Y 1 AAA HIS 130 ? A HIS 130 
7  1 Y 1 AAA HIS 131 ? A HIS 131 
8  1 Y 1 EEE PRO 330 ? B PRO 1   
9  1 Y 1 EEE ASN 331 ? B ASN 2   
10 1 Y 1 EEE ILE 332 ? B ILE 3   
11 1 Y 1 EEE THR 333 ? B THR 4   
12 1 Y 1 EEE THR 531 ? B THR 202 
13 1 Y 1 EEE ASN 532 ? B ASN 203 
14 1 Y 1 EEE LYS 533 ? B LYS 204 
15 1 Y 1 EEE HIS 534 ? B HIS 205 
16 1 Y 1 EEE HIS 535 ? B HIS 206 
17 1 Y 1 EEE HIS 536 ? B HIS 207 
18 1 Y 1 EEE HIS 537 ? B HIS 208 
19 1 Y 1 EEE HIS 538 ? B HIS 209 
20 1 Y 1 EEE HIS 539 ? B HIS 210 
21 1 Y 1 FFF MET -1  ? C MET 1   
22 1 Y 1 FFF ALA 0   ? C ALA 2   
23 1 Y 1 FFF LYS 128 ? C LYS 130 
24 1 Y 1 FFF HIS 129 ? C HIS 131 
25 1 Y 1 FFF HIS 130 ? C HIS 132 
26 1 Y 1 FFF HIS 131 ? C HIS 133 
27 1 Y 1 FFF HIS 132 ? C HIS 134 
28 1 Y 1 FFF HIS 133 ? C HIS 135 
29 1 Y 1 FFF HIS 134 ? C HIS 136 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Wellcome Trust'                                     'United Kingdom' '100209/Z/12/Z)' 1 
'Engineering and Physical Sciences Research Council' 'United Kingdom' EP/S025243/1     2 
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
NAG 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML     1.0 DGlcpNAcb                      
NAG 'COMMON NAME'                         GMML     1.0 N-acetyl-b-D-glucopyranosamine 
NAG 'IUPAC CARBOHYDRATE SYMBOL'           PDB-CARE 1.0 b-D-GlcpNAc                    
NAG 'SNFG CARBOHYDRATE SYMBOL'            GMML     1.0 GlcNAc                         
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
4 2-acetamido-2-deoxy-beta-D-glucopyranose NAG 
5 'CITRIC ACID'                            CIT 
6 'CHLORIDE ION'                           CL  
7 water                                    HOH 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
