# By using this file you agree to the legally binding terms of use found at
# https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md.
# To request access to the AlphaFold 3 model parameters, follow the process set
# out at https://github.com/google-deepmind/alphafold3. You may only use these if
# received directly from Google. Use is subject to terms of use available at
# https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md.
data_prod-test
#
_entry.id prod-test
#
loop_
_atom_type.symbol
C 
N 
O 
S 
#
loop_
_audit_author.name
_audit_author.pdbx_ordinal
"Google DeepMind" 1 
"Isomorphic Labs" 2 
#
_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic
_audit_conform.dict_name     mmcif_ma.dic
_audit_conform.dict_version  1.4.5
#
loop_
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.id
_chem_comp.mon_nstd_flag
_chem_comp.name
_chem_comp.pdbx_smiles
_chem_comp.pdbx_synonyms
_chem_comp.type
"C3 H7 N O2"   89.093  ALA y ALANINE         C[C@@H](C(=O)O)N                 ? "L-PEPTIDE LINKING" 
"C6 H15 N4 O2" 175.209 ARG y ARGININE        C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" 
"C4 H7 N O4"   133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O         ? "L-PEPTIDE LINKING" 
"C3 H7 N O2 S" 121.158 CYS y CYSTEINE        C([C@@H](C(=O)O)N)S              ? "L-PEPTIDE LINKING" 
"C2 H5 N O2"   75.067  GLY y GLYCINE         C(C(=O)O)N                       ? "PEPTIDE LINKING"   
"C6 H10 N3 O2" 156.162 HIS y HISTIDINE       c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" 
"C9 H11 N O2"  165.189 PHE y PHENYLALANINE   c1ccc(cc1)C[C@@H](C(=O)O)N       ? "L-PEPTIDE LINKING" 
#
_citation.book_publisher          ?
_citation.country                 UK
_citation.id                      primary
_citation.journal_full            Nature
_citation.journal_id_ASTM         NATUAS
_citation.journal_id_CSD          0006
_citation.journal_id_ISSN         0028-0836
_citation.journal_volume          630
_citation.page_first              493
_citation.page_last               500
_citation.pdbx_database_id_DOI    10.1038/s41586-024-07487-w
_citation.pdbx_database_id_PubMed 38718835
_citation.title                   "Accurate structure prediction of biomolecular interactions with AlphaFold 3"
_citation.year                    2024
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary "Google DeepMind" 1 
primary "Isomorphic Labs" 2 
#
loop_
_entity.id
_entity.pdbx_description
_entity.type
1 . polymer 
2 . polymer 
#
loop_
_entity_poly.entity_id
_entity_poly.pdbx_strand_id
_entity_poly.type
1 HAG  polypeptide(L) 
2 ABBA polypeptide(L) 
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.hetero
_entity_poly_seq.mon_id
_entity_poly_seq.num
1 n ALA 1  
1 n GLY 2  
1 n HIS 3  
1 n GLY 4  
1 n HIS 5  
1 n GLY 6  
1 n HIS 7  
1 n GLY 8  
1 n CYS 9  
1 n ASP 10 
1 n ARG 11 
1 n CYS 12 
1 n PHE 13 
1 n ASP 14 
1 n CYS 15 
1 n ARG 16 
1 n ARG 17 
1 n ASP 18 
1 n PHE 19 
1 n ARG 20 
1 n ARG 21 
1 n CYS 22 
1 n ARG 23 
1 n ASP 24 
1 n ARG 25 
1 n CYS 26 
1 n ARG 27 
1 n ASP 28 
1 n CYS 29 
1 n PHE 30 
1 n ARG 31 
1 n CYS 32 
1 n PHE 33 
1 n ARG 34 
1 n ASP 35 
1 n CYS 36 
1 n ARG 37 
1 n PHE 38 
1 n ARG 39 
1 n ASP 40 
1 n CYS 41 
1 n PHE 42 
1 n ARG 43 
1 n ASP 44 
1 n CYS 45 
1 n PHE 46 
2 n ALA 1  
2 n GLY 2  
2 n HIS 3  
2 n GLY 4  
2 n HIS 5  
2 n GLY 6  
2 n HIS 7  
2 n GLY 8  
2 n CYS 9  
2 n ASP 10 
2 n ARG 11 
2 n CYS 12 
2 n PHE 13 
2 n ASP 14 
2 n CYS 15 
2 n ARG 16 
2 n ARG 17 
2 n ASP 18 
2 n PHE 19 
2 n ARG 20 
2 n ARG 21 
2 n CYS 22 
2 n ARG 23 
2 n ASP 24 
2 n ARG 25 
2 n CYS 26 
2 n ARG 27 
2 n ASP 28 
2 n CYS 29 
2 n PHE 30 
2 n ARG 31 
2 n CYS 32 
2 n PHE 33 
2 n ARG 34 
2 n ASP 35 
2 n CYS 36 
2 n ARG 37 
2 n PHE 38 
2 n ARG 39 
2 n ASP 40 
2 n CYS 41 
2 n PHE 42 
2 n ARG 43 
2 n ASP 44 
2 n CYS 45 
2 n PHE 46 
#
_ma_data.content_type "model coordinates"
_ma_data.id           1
_ma_data.name         Model
#
_ma_model_list.data_id          1
_ma_model_list.model_group_id   1
_ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-13 13:08:31)"
_ma_model_list.model_id         1
_ma_model_list.model_name       "Top ranked model"
_ma_model_list.model_type       "Ab initio model"
_ma_model_list.ordinal_id       1
#
loop_
_ma_protocol_step.method_type
_ma_protocol_step.ordinal_id
_ma_protocol_step.protocol_id
_ma_protocol_step.step_id
"coevolution MSA" 1 1 1 
"template search" 2 1 2 
modeling          3 1 3 
#
loop_
_ma_qa_metric.id
_ma_qa_metric.mode
_ma_qa_metric.name
_ma_qa_metric.software_group_id
_ma_qa_metric.type
1 global pLDDT 1 pLDDT 
2 local  pLDDT 1 pLDDT 
#
_ma_qa_metric_global.metric_id    1
_ma_qa_metric_global.metric_value 48.70
_ma_qa_metric_global.model_id     1
_ma_qa_metric_global.ordinal_id   1
#
loop_
_ma_qa_metric_local.label_asym_id
_ma_qa_metric_local.label_comp_id
_ma_qa_metric_local.label_seq_id
_ma_qa_metric_local.metric_id
_ma_qa_metric_local.metric_value
_ma_qa_metric_local.model_id
_ma_qa_metric_local.ordinal_id
HAG  ALA 1  2 34.94 1 1  
HAG  GLY 2  2 35.02 1 2  
HAG  HIS 3  2 35.93 1 3  
HAG  GLY 4  2 38.23 1 4  
HAG  HIS 5  2 36.11 1 5  
HAG  GLY 6  2 39.85 1 6  
HAG  HIS 7  2 36.92 1 7  
HAG  GLY 8  2 47.20 1 8  
HAG  CYS 9  2 50.26 1 9  
HAG  ASP 10 2 49.82 1 10 
HAG  ARG 11 2 46.50 1 11 
HAG  CYS 12 2 52.55 1 12 
HAG  PHE 13 2 49.74 1 13 
HAG  ASP 14 2 50.95 1 14 
HAG  CYS 15 2 53.19 1 15 
HAG  ARG 16 2 44.09 1 16 
HAG  ARG 17 2 50.23 1 17 
HAG  ASP 18 2 51.71 1 18 
HAG  PHE 19 2 47.80 1 19 
HAG  ARG 20 2 50.91 1 20 
HAG  ARG 21 2 52.07 1 21 
HAG  CYS 22 2 53.63 1 22 
HAG  ARG 23 2 47.36 1 23 
HAG  ASP 24 2 52.49 1 24 
HAG  ARG 25 2 50.70 1 25 
HAG  CYS 26 2 52.07 1 26 
HAG  ARG 27 2 48.54 1 27 
HAG  ASP 28 2 54.34 1 28 
HAG  CYS 29 2 54.50 1 29 
HAG  PHE 30 2 50.42 1 30 
HAG  ARG 31 2 51.22 1 31 
HAG  CYS 32 2 56.66 1 32 
HAG  PHE 33 2 50.14 1 33 
HAG  ARG 34 2 48.92 1 34 
HAG  ASP 35 2 53.90 1 35 
HAG  CYS 36 2 54.93 1 36 
HAG  ARG 37 2 48.11 1 37 
HAG  PHE 38 2 47.68 1 38 
HAG  ARG 39 2 46.27 1 39 
HAG  ASP 40 2 54.47 1 40 
HAG  CYS 41 2 56.12 1 41 
HAG  PHE 42 2 49.37 1 42 
HAG  ARG 43 2 48.42 1 43 
HAG  ASP 44 2 51.42 1 44 
HAG  CYS 45 2 53.65 1 45 
HAG  PHE 46 2 45.86 1 46 
ABBA ALA 1  2 34.32 1 47 
ABBA GLY 2  2 34.68 1 48 
ABBA HIS 3  2 35.53 1 49 
ABBA GLY 4  2 37.82 1 50 
ABBA HIS 5  2 35.92 1 51 
ABBA GLY 6  2 39.54 1 52 
ABBA HIS 7  2 37.03 1 53 
ABBA GLY 8  2 47.24 1 54 
ABBA CYS 9  2 50.15 1 55 
ABBA ASP 10 2 49.94 1 56 
ABBA ARG 11 2 46.85 1 57 
ABBA CYS 12 2 52.38 1 58 
ABBA PHE 13 2 50.16 1 59 
ABBA ASP 14 2 52.36 1 60 
ABBA CYS 15 2 53.83 1 61 
ABBA ARG 16 2 45.37 1 62 
ABBA ARG 17 2 51.35 1 63 
ABBA ASP 18 2 53.36 1 64 
ABBA PHE 19 2 48.99 1 65 
ABBA ARG 20 2 50.33 1 66 
ABBA ARG 21 2 51.91 1 67 
ABBA CYS 22 2 53.29 1 68 
ABBA ARG 23 2 47.51 1 69 
ABBA ASP 24 2 53.18 1 70 
ABBA ARG 25 2 50.71 1 71 
ABBA CYS 26 2 52.30 1 72 
ABBA ARG 27 2 49.17 1 73 
ABBA ASP 28 2 55.56 1 74 
ABBA CYS 29 2 55.77 1 75 
ABBA PHE 30 2 51.06 1 76 
ABBA ARG 31 2 51.99 1 77 
ABBA CYS 32 2 56.11 1 78 
ABBA PHE 33 2 50.09 1 79 
ABBA ARG 34 2 49.13 1 80 
ABBA ASP 35 2 54.31 1 81 
ABBA CYS 36 2 53.89 1 82 
ABBA ARG 37 2 48.29 1 83 
ABBA PHE 38 2 47.63 1 84 
ABBA ARG 39 2 46.50 1 85 
ABBA ASP 40 2 54.27 1 86 
ABBA CYS 41 2 55.40 1 87 
ABBA PHE 42 2 48.71 1 88 
ABBA ARG 43 2 48.42 1 89 
ABBA ASP 44 2 51.17 1 90 
ABBA CYS 45 2 53.21 1 91 
ABBA PHE 46 2 45.50 1 92 
#
_ma_software_group.group_id    1
_ma_software_group.ordinal_id  1
_ma_software_group.software_id 1
#
loop_
_ma_target_entity.data_id
_ma_target_entity.entity_id
_ma_target_entity.origin
1 1 . 
1 2 . 
#
loop_
_ma_target_entity_instance.asym_id
_ma_target_entity_instance.details
_ma_target_entity_instance.entity_id
HAG  . 1 
ABBA . 2 
#
loop_
_pdbx_data_usage.details
_pdbx_data_usage.id
_pdbx_data_usage.type
_pdbx_data_usage.url
;Non-commercial use only, by using this file you agree to the terms of use found
at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md.
To request access to the AlphaFold 3 model parameters, follow the process set
out at https://github.com/google-deepmind/alphafold3. You may only use these if
received directly from Google. Use is subject to terms of use available at
https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md.
;
1 license    https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md 
;AlphaFold 3 and its output are not intended for, have not been validated for,
and are not approved for clinical use. They are provided "as-is" without any
warranty of any kind, whether expressed or implied. No warranty is given that
use shall not infringe the rights of any third party.
;
2 disclaimer ?                                                                              
#
loop_
_pdbx_poly_seq_scheme.asym_id
_pdbx_poly_seq_scheme.auth_seq_num
_pdbx_poly_seq_scheme.entity_id
_pdbx_poly_seq_scheme.hetero
_pdbx_poly_seq_scheme.mon_id
_pdbx_poly_seq_scheme.pdb_ins_code
_pdbx_poly_seq_scheme.pdb_seq_num
_pdbx_poly_seq_scheme.pdb_strand_id
_pdbx_poly_seq_scheme.seq_id
HAG  1  1 n ALA . 1  HAG  1  
HAG  2  1 n GLY . 2  HAG  2  
HAG  3  1 n HIS . 3  HAG  3  
HAG  4  1 n GLY . 4  HAG  4  
HAG  5  1 n HIS . 5  HAG  5  
HAG  6  1 n GLY . 6  HAG  6  
HAG  7  1 n HIS . 7  HAG  7  
HAG  8  1 n GLY . 8  HAG  8  
HAG  9  1 n CYS . 9  HAG  9  
HAG  10 1 n ASP . 10 HAG  10 
HAG  11 1 n ARG . 11 HAG  11 
HAG  12 1 n CYS . 12 HAG  12 
HAG  13 1 n PHE . 13 HAG  13 
HAG  14 1 n ASP . 14 HAG  14 
HAG  15 1 n CYS . 15 HAG  15 
HAG  16 1 n ARG . 16 HAG  16 
HAG  17 1 n ARG . 17 HAG  17 
HAG  18 1 n ASP . 18 HAG  18 
HAG  19 1 n PHE . 19 HAG  19 
HAG  20 1 n ARG . 20 HAG  20 
HAG  21 1 n ARG . 21 HAG  21 
HAG  22 1 n CYS . 22 HAG  22 
HAG  23 1 n ARG . 23 HAG  23 
HAG  24 1 n ASP . 24 HAG  24 
HAG  25 1 n ARG . 25 HAG  25 
HAG  26 1 n CYS . 26 HAG  26 
HAG  27 1 n ARG . 27 HAG  27 
HAG  28 1 n ASP . 28 HAG  28 
HAG  29 1 n CYS . 29 HAG  29 
HAG  30 1 n PHE . 30 HAG  30 
HAG  31 1 n ARG . 31 HAG  31 
HAG  32 1 n CYS . 32 HAG  32 
HAG  33 1 n PHE . 33 HAG  33 
HAG  34 1 n ARG . 34 HAG  34 
HAG  35 1 n ASP . 35 HAG  35 
HAG  36 1 n CYS . 36 HAG  36 
HAG  37 1 n ARG . 37 HAG  37 
HAG  38 1 n PHE . 38 HAG  38 
HAG  39 1 n ARG . 39 HAG  39 
HAG  40 1 n ASP . 40 HAG  40 
HAG  41 1 n CYS . 41 HAG  41 
HAG  42 1 n PHE . 42 HAG  42 
HAG  43 1 n ARG . 43 HAG  43 
HAG  44 1 n ASP . 44 HAG  44 
HAG  45 1 n CYS . 45 HAG  45 
HAG  46 1 n PHE . 46 HAG  46 
ABBA 1  2 n ALA . 1  ABBA 1  
ABBA 2  2 n GLY . 2  ABBA 2  
ABBA 3  2 n HIS . 3  ABBA 3  
ABBA 4  2 n GLY . 4  ABBA 4  
ABBA 5  2 n HIS . 5  ABBA 5  
ABBA 6  2 n GLY . 6  ABBA 6  
ABBA 7  2 n HIS . 7  ABBA 7  
ABBA 8  2 n GLY . 8  ABBA 8  
ABBA 9  2 n CYS . 9  ABBA 9  
ABBA 10 2 n ASP . 10 ABBA 10 
ABBA 11 2 n ARG . 11 ABBA 11 
ABBA 12 2 n CYS . 12 ABBA 12 
ABBA 13 2 n PHE . 13 ABBA 13 
ABBA 14 2 n ASP . 14 ABBA 14 
ABBA 15 2 n CYS . 15 ABBA 15 
ABBA 16 2 n ARG . 16 ABBA 16 
ABBA 17 2 n ARG . 17 ABBA 17 
ABBA 18 2 n ASP . 18 ABBA 18 
ABBA 19 2 n PHE . 19 ABBA 19 
ABBA 20 2 n ARG . 20 ABBA 20 
ABBA 21 2 n ARG . 21 ABBA 21 
ABBA 22 2 n CYS . 22 ABBA 22 
ABBA 23 2 n ARG . 23 ABBA 23 
ABBA 24 2 n ASP . 24 ABBA 24 
ABBA 25 2 n ARG . 25 ABBA 25 
ABBA 26 2 n CYS . 26 ABBA 26 
ABBA 27 2 n ARG . 27 ABBA 27 
ABBA 28 2 n ASP . 28 ABBA 28 
ABBA 29 2 n CYS . 29 ABBA 29 
ABBA 30 2 n PHE . 30 ABBA 30 
ABBA 31 2 n ARG . 31 ABBA 31 
ABBA 32 2 n CYS . 32 ABBA 32 
ABBA 33 2 n PHE . 33 ABBA 33 
ABBA 34 2 n ARG . 34 ABBA 34 
ABBA 35 2 n ASP . 35 ABBA 35 
ABBA 36 2 n CYS . 36 ABBA 36 
ABBA 37 2 n ARG . 37 ABBA 37 
ABBA 38 2 n PHE . 38 ABBA 38 
ABBA 39 2 n ARG . 39 ABBA 39 
ABBA 40 2 n ASP . 40 ABBA 40 
ABBA 41 2 n CYS . 41 ABBA 41 
ABBA 42 2 n PHE . 42 ABBA 42 
ABBA 43 2 n ARG . 43 ABBA 43 
ABBA 44 2 n ASP . 44 ABBA 44 
ABBA 45 2 n CYS . 45 ABBA 45 
ABBA 46 2 n PHE . 46 ABBA 46 
#
_software.classification other
_software.date           ?
_software.description    "Structure prediction"
_software.name           AlphaFold
_software.pdbx_ordinal   1
_software.type           package
_software.version        "AlphaFold-beta-20231127 (25b635fa27adb4b12654a9dc6367a96b1463ec03aa886066ffc6cf0691bbe007)"
#
loop_
_struct_asym.entity_id
_struct_asym.id
1 HAG  
2 ABBA 
#
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.auth_seq_id
_atom_site.auth_asym_id
_atom_site.pdbx_PDB_model_num
ATOM 1   N N   . ALA HAG  1 1  ? -12.715 25.115  -7.229  1.00 30.88 1  HAG  1 
ATOM 2   C CA  . ALA HAG  1 1  ? -11.253 25.257  -7.250  1.00 36.40 1  HAG  1 
ATOM 3   C C   . ALA HAG  1 1  ? -10.693 24.974  -8.640  1.00 37.90 1  HAG  1 
ATOM 4   O O   . ALA HAG  1 1  ? -11.264 24.187  -9.397  1.00 34.82 1  HAG  1 
ATOM 5   C CB  . ALA HAG  1 1  ? -10.621 24.309  -6.240  1.00 34.68 1  HAG  1 
ATOM 6   N N   . GLY HAG  1 2  ? -9.596  25.636  -8.981  1.00 32.77 2  HAG  1 
ATOM 7   C CA  . GLY HAG  1 2  ? -8.979  25.441  -10.282 1.00 36.51 2  HAG  1 
ATOM 8   C C   . GLY HAG  1 2  ? -8.139  24.180  -10.346 1.00 36.50 2  HAG  1 
ATOM 9   O O   . GLY HAG  1 2  ? -7.974  23.474  -9.345  1.00 34.30 2  HAG  1 
ATOM 10  N N   . HIS HAG  1 3  ? -7.621  23.917  -11.523 1.00 36.89 3  HAG  1 
ATOM 11  C CA  . HIS HAG  1 3  ? -6.776  22.741  -11.723 1.00 40.40 3  HAG  1 
ATOM 12  C C   . HIS HAG  1 3  ? -5.472  22.878  -10.942 1.00 40.33 3  HAG  1 
ATOM 13  O O   . HIS HAG  1 3  ? -4.964  23.985  -10.751 1.00 37.75 3  HAG  1 
ATOM 14  C CB  . HIS HAG  1 3  ? -6.463  22.558  -13.211 1.00 38.86 3  HAG  1 
ATOM 15  C CG  . HIS HAG  1 3  ? -7.629  22.055  -14.011 1.00 35.67 3  HAG  1 
ATOM 16  N ND1 . HIS HAG  1 3  ? -8.731  22.821  -14.308 1.00 32.16 3  HAG  1 
ATOM 17  C CD2 . HIS HAG  1 3  ? -7.851  20.847  -14.581 1.00 32.40 3  HAG  1 
ATOM 18  C CE1 . HIS HAG  1 3  ? -9.582  22.099  -15.016 1.00 31.60 3  HAG  1 
ATOM 19  N NE2 . HIS HAG  1 3  ? -9.082  20.901  -15.204 1.00 33.20 3  HAG  1 
ATOM 20  N N   . GLY HAG  1 4  ? -4.950  21.742  -10.509 1.00 36.89 4  HAG  1 
ATOM 21  C CA  . GLY HAG  1 4  ? -3.708  21.747  -9.761  1.00 39.53 4  HAG  1 
ATOM 22  C C   . GLY HAG  1 4  ? -3.904  21.973  -8.276  1.00 39.30 4  HAG  1 
ATOM 23  O O   . GLY HAG  1 4  ? -2.931  22.032  -7.523  1.00 37.19 4  HAG  1 
ATOM 24  N N   . HIS HAG  1 5  ? -5.153  22.100  -7.860  1.00 37.96 5  HAG  1 
ATOM 25  C CA  . HIS HAG  1 5  ? -5.454  22.305  -6.449  1.00 40.72 5  HAG  1 
ATOM 26  C C   . HIS HAG  1 5  ? -6.086  21.053  -5.845  1.00 41.06 5  HAG  1 
ATOM 27  O O   . HIS HAG  1 5  ? -7.016  20.482  -6.418  1.00 38.41 5  HAG  1 
ATOM 28  C CB  . HIS HAG  1 5  ? -6.394  23.500  -6.269  1.00 39.02 5  HAG  1 
ATOM 29  C CG  . HIS HAG  1 5  ? -5.756  24.819  -6.615  1.00 35.89 5  HAG  1 
ATOM 30  N ND1 . HIS HAG  1 5  ? -4.838  25.436  -5.797  1.00 32.22 5  HAG  1 
ATOM 31  C CD2 . HIS HAG  1 5  ? -5.914  25.633  -7.681  1.00 32.33 5  HAG  1 
ATOM 32  C CE1 . HIS HAG  1 5  ? -4.456  26.573  -6.363  1.00 31.10 5  HAG  1 
ATOM 33  N NE2 . HIS HAG  1 5  ? -5.090  26.726  -7.497  1.00 32.36 5  HAG  1 
ATOM 34  N N   . GLY HAG  1 6  ? -5.570  20.643  -4.698  1.00 38.71 6  HAG  1 
ATOM 35  C CA  . GLY HAG  1 6  ? -6.094  19.469  -4.026  1.00 40.81 6  HAG  1 
ATOM 36  C C   . GLY HAG  1 6  ? -7.356  19.780  -3.251  1.00 40.86 6  HAG  1 
ATOM 37  O O   . GLY HAG  1 6  ? -7.615  20.939  -2.906  1.00 39.03 6  HAG  1 
ATOM 38  N N   . HIS HAG  1 7  ? -8.128  18.752  -2.992  1.00 39.94 7  HAG  1 
ATOM 39  C CA  . HIS HAG  1 7  ? -9.367  18.913  -2.248  1.00 42.62 7  HAG  1 
ATOM 40  C C   . HIS HAG  1 7  ? -9.225  18.429  -0.808  1.00 44.07 7  HAG  1 
ATOM 41  O O   . HIS HAG  1 7  ? -9.523  19.164  0.132   1.00 41.37 7  HAG  1 
ATOM 42  C CB  . HIS HAG  1 7  ? -10.497 18.152  -2.949  1.00 39.93 7  HAG  1 
ATOM 43  C CG  . HIS HAG  1 7  ? -10.779 18.657  -4.337  1.00 36.42 7  HAG  1 
ATOM 44  N ND1 . HIS HAG  1 7  ? -11.476 19.815  -4.580  1.00 32.33 7  HAG  1 
ATOM 45  C CD2 . HIS HAG  1 7  ? -10.444 18.162  -5.545  1.00 32.03 7  HAG  1 
ATOM 46  C CE1 . HIS HAG  1 7  ? -11.552 20.007  -5.890  1.00 29.94 7  HAG  1 
ATOM 47  N NE2 . HIS HAG  1 7  ? -10.943 19.025  -6.503  1.00 30.57 7  HAG  1 
ATOM 48  N N   . GLY HAG  1 8  ? -8.778  17.195  -0.659  1.00 44.55 8  HAG  1 
ATOM 49  C CA  . GLY HAG  1 8  ? -8.621  16.631  0.669   1.00 47.54 8  HAG  1 
ATOM 50  C C   . GLY HAG  1 8  ? -7.254  16.030  0.927   1.00 49.35 8  HAG  1 
ATOM 51  O O   . GLY HAG  1 8  ? -6.983  15.557  2.030   1.00 47.35 8  HAG  1 
ATOM 52  N N   . CYS HAG  1 9  ? -6.395  16.064  -0.075  1.00 51.14 9  HAG  1 
ATOM 53  C CA  . CYS HAG  1 9  ? -5.050  15.512  0.056   1.00 52.17 9  HAG  1 
ATOM 54  C C   . CYS HAG  1 9  ? -3.997  16.603  -0.073  1.00 52.11 9  HAG  1 
ATOM 55  O O   . CYS HAG  1 9  ? -4.099  17.474  -0.935  1.00 49.77 9  HAG  1 
ATOM 56  C CB  . CYS HAG  1 9  ? -4.783  14.447  -1.009  1.00 50.30 9  HAG  1 
ATOM 57  S SG  . CYS HAG  1 9  ? -5.698  12.908  -0.776  1.00 46.06 9  HAG  1 
ATOM 58  N N   . ASP HAG  1 10 ? -3.014  16.531  0.776   1.00 52.46 10 HAG  1 
ATOM 59  C CA  . ASP HAG  1 10 ? -1.915  17.485  0.719   1.00 53.39 10 HAG  1 
ATOM 60  C C   . ASP HAG  1 10 ? -0.945  17.108  -0.392  1.00 53.57 10 HAG  1 
ATOM 61  O O   . ASP HAG  1 10 ? -0.398  17.980  -1.071  1.00 51.81 10 HAG  1 
ATOM 62  C CB  . ASP HAG  1 10 ? -1.169  17.535  2.057   1.00 51.12 10 HAG  1 
ATOM 63  C CG  . ASP HAG  1 10 ? -2.017  18.130  3.169   1.00 47.57 10 HAG  1 
ATOM 64  O OD1 . ASP HAG  1 10 ? -2.822  19.041  2.883   1.00 44.55 10 HAG  1 
ATOM 65  O OD2 . ASP HAG  1 10 ? -1.859  17.699  4.325   1.00 44.12 10 HAG  1 
ATOM 66  N N   . ARG HAG  1 11 ? -0.760  15.811  -0.577  1.00 54.35 11 HAG  1 
ATOM 67  C CA  . ARG HAG  1 11 ? 0.163   15.329  -1.593  1.00 55.73 11 HAG  1 
ATOM 68  C C   . ARG HAG  1 11 ? 0.067   13.828  -1.805  1.00 56.42 11 HAG  1 
ATOM 69  O O   . ARG HAG  1 11 ? -0.421  13.095  -0.943  1.00 53.86 11 HAG  1 
ATOM 70  C CB  . ARG HAG  1 11 ? 1.602   15.666  -1.193  1.00 52.67 11 HAG  1 
ATOM 71  C CG  . ARG HAG  1 11 ? 2.056   14.948  0.075   1.00 46.59 11 HAG  1 
ATOM 72  C CD  . ARG HAG  1 11 ? 3.479   15.297  0.455   1.00 43.91 11 HAG  1 
ATOM 73  N NE  . ARG HAG  1 11 ? 3.908   14.613  1.671   1.00 41.31 11 HAG  1 
ATOM 74  C CZ  . ARG HAG  1 11 ? 5.094   14.769  2.252   1.00 37.34 11 HAG  1 
ATOM 75  N NH1 . ARG HAG  1 11 ? 5.982   15.592  1.729   1.00 34.84 11 HAG  1 
ATOM 76  N NH2 . ARG HAG  1 11 ? 5.384   14.101  3.352   1.00 34.49 11 HAG  1 
ATOM 77  N N   . CYS HAG  1 12 ? 0.544   13.396  -2.954  1.00 54.34 12 HAG  1 
ATOM 78  C CA  . CYS HAG  1 12 ? 0.658   11.986  -3.293  1.00 54.10 12 HAG  1 
ATOM 79  C C   . CYS HAG  1 12 ? 2.026   11.864  -3.956  1.00 52.89 12 HAG  1 
ATOM 80  O O   . CYS HAG  1 12 ? 2.384   12.688  -4.799  1.00 51.16 12 HAG  1 
ATOM 81  C CB  . CYS HAG  1 12 ? -0.440  11.533  -4.258  1.00 53.24 12 HAG  1 
ATOM 82  S SG  . CYS HAG  1 12 ? -2.130  11.506  -3.559  1.00 49.60 12 HAG  1 
ATOM 83  N N   . PHE HAG  1 13 ? 2.770   10.878  -3.571  1.00 56.09 13 HAG  1 
ATOM 84  C CA  . PHE HAG  1 13 ? 4.118   10.696  -4.098  1.00 55.92 13 HAG  1 
ATOM 85  C C   . PHE HAG  1 13 ? 4.270   9.370   -4.826  1.00 56.15 13 HAG  1 
ATOM 86  O O   . PHE HAG  1 13 ? 3.480   8.444   -4.635  1.00 54.00 13 HAG  1 
ATOM 87  C CB  . PHE HAG  1 13 ? 5.138   10.796  -2.961  1.00 52.69 13 HAG  1 
ATOM 88  C CG  . PHE HAG  1 13 ? 4.701   10.096  -1.702  1.00 50.02 13 HAG  1 
ATOM 89  C CD1 . PHE HAG  1 13 ? 4.851   8.722   -1.559  1.00 46.07 13 HAG  1 
ATOM 90  C CD2 . PHE HAG  1 13 ? 4.111   10.813  -0.669  1.00 46.32 13 HAG  1 
ATOM 91  C CE1 . PHE HAG  1 13 ? 4.423   8.077   -0.406  1.00 43.04 13 HAG  1 
ATOM 92  C CE2 . PHE HAG  1 13 ? 3.682   10.173  0.489   1.00 43.68 13 HAG  1 
ATOM 93  C CZ  . PHE HAG  1 13 ? 3.840   8.804   0.615   1.00 43.17 13 HAG  1 
ATOM 94  N N   . ASP HAG  1 14 ? 5.291   9.296   -5.662  1.00 52.78 14 HAG  1 
ATOM 95  C CA  . ASP HAG  1 14 ? 5.558   8.094   -6.452  1.00 54.05 14 HAG  1 
ATOM 96  C C   . ASP HAG  1 14 ? 6.479   7.152   -5.678  1.00 54.78 14 HAG  1 
ATOM 97  O O   . ASP HAG  1 14 ? 7.687   7.380   -5.594  1.00 53.68 14 HAG  1 
ATOM 98  C CB  . ASP HAG  1 14 ? 6.190   8.482   -7.793  1.00 52.28 14 HAG  1 
ATOM 99  C CG  . ASP HAG  1 14 ? 6.239   7.317   -8.772  1.00 47.99 14 HAG  1 
ATOM 100 O OD1 . ASP HAG  1 14 ? 6.298   6.151   -8.335  1.00 45.59 14 HAG  1 
ATOM 101 O OD2 . ASP HAG  1 14 ? 6.228   7.577   -9.994  1.00 46.43 14 HAG  1 
ATOM 102 N N   . CYS HAG  1 15 ? 5.893   6.108   -5.129  1.00 56.34 15 HAG  1 
ATOM 103 C CA  . CYS HAG  1 15 ? 6.659   5.135   -4.354  1.00 55.05 15 HAG  1 
ATOM 104 C C   . CYS HAG  1 15 ? 7.535   4.242   -5.226  1.00 53.45 15 HAG  1 
ATOM 105 O O   . CYS HAG  1 15 ? 8.547   3.727   -4.762  1.00 51.20 15 HAG  1 
ATOM 106 C CB  . CYS HAG  1 15 ? 5.716   4.268   -3.520  1.00 53.17 15 HAG  1 
ATOM 107 S SG  . CYS HAG  1 15 ? 4.878   5.158   -2.182  1.00 49.93 15 HAG  1 
ATOM 108 N N   . ARG HAG  1 16 ? 7.137   4.060   -6.460  1.00 54.64 16 HAG  1 
ATOM 109 C CA  . ARG HAG  1 16 ? 7.926   3.223   -7.363  1.00 52.61 16 HAG  1 
ATOM 110 C C   . ARG HAG  1 16 ? 9.279   3.875   -7.633  1.00 51.74 16 HAG  1 
ATOM 111 O O   . ARG HAG  1 16 ? 10.293  3.194   -7.773  1.00 49.43 16 HAG  1 
ATOM 112 C CB  . ARG HAG  1 16 ? 7.185   3.013   -8.686  1.00 49.44 16 HAG  1 
ATOM 113 C CG  . ARG HAG  1 16 ? 5.936   2.159   -8.559  1.00 44.42 16 HAG  1 
ATOM 114 C CD  . ARG HAG  1 16 ? 5.234   2.018   -9.901  1.00 42.23 16 HAG  1 
ATOM 115 N NE  . ARG HAG  1 16 ? 4.767   3.311   -10.407 1.00 38.45 16 HAG  1 
ATOM 116 C CZ  . ARG HAG  1 16 ? 4.172   3.483   -11.582 1.00 36.13 16 HAG  1 
ATOM 117 N NH1 . ARG HAG  1 16 ? 3.955   2.451   -12.383 1.00 32.64 16 HAG  1 
ATOM 118 N NH2 . ARG HAG  1 16 ? 3.792   4.693   -11.955 1.00 33.30 16 HAG  1 
ATOM 119 N N   . ARG HAG  1 17 ? 9.257   5.192   -7.713  1.00 56.43 17 HAG  1 
ATOM 120 C CA  . ARG HAG  1 17 ? 10.485  5.936   -7.973  1.00 57.88 17 HAG  1 
ATOM 121 C C   . ARG HAG  1 17 ? 11.400  5.933   -6.757  1.00 57.56 17 HAG  1 
ATOM 122 O O   . ARG HAG  1 17 ? 12.611  5.751   -6.887  1.00 55.67 17 HAG  1 
ATOM 123 C CB  . ARG HAG  1 17 ? 10.148  7.373   -8.374  1.00 57.16 17 HAG  1 
ATOM 124 C CG  . ARG HAG  1 17 ? 11.357  8.178   -8.818  1.00 51.41 17 HAG  1 
ATOM 125 C CD  . ARG HAG  1 17 ? 10.947  9.561   -9.293  1.00 49.49 17 HAG  1 
ATOM 126 N NE  . ARG HAG  1 17 ? 12.088  10.327  -9.804  1.00 46.81 17 HAG  1 
ATOM 127 C CZ  . ARG HAG  1 17 ? 12.626  10.155  -11.005 1.00 42.60 17 HAG  1 
ATOM 128 N NH1 . ARG HAG  1 17 ? 12.134  9.248   -11.834 1.00 38.61 17 HAG  1 
ATOM 129 N NH2 . ARG HAG  1 17 ? 13.657  10.896  -11.376 1.00 38.92 17 HAG  1 
ATOM 130 N N   . ASP HAG  1 18 ? 10.820  6.140   -5.595  1.00 52.62 18 HAG  1 
ATOM 131 C CA  . ASP HAG  1 18 ? 11.578  6.153   -4.348  1.00 54.05 18 HAG  1 
ATOM 132 C C   . ASP HAG  1 18 ? 10.924  5.208   -3.342  1.00 54.03 18 HAG  1 
ATOM 133 O O   . ASP HAG  1 18 ? 10.381  5.644   -2.324  1.00 52.76 18 HAG  1 
ATOM 134 C CB  . ASP HAG  1 18 ? 11.641  7.572   -3.780  1.00 53.29 18 HAG  1 
ATOM 135 C CG  . ASP HAG  1 18 ? 12.331  8.546   -4.717  1.00 49.41 18 HAG  1 
ATOM 136 O OD1 . ASP HAG  1 18 ? 13.511  8.314   -5.050  1.00 48.19 18 HAG  1 
ATOM 137 O OD2 . ASP HAG  1 18 ? 11.698  9.543   -5.109  1.00 49.34 18 HAG  1 
ATOM 138 N N   . PHE HAG  1 19 ? 10.974  3.932   -3.651  1.00 54.90 19 HAG  1 
ATOM 139 C CA  . PHE HAG  1 19 ? 10.324  2.926   -2.818  1.00 53.43 19 HAG  1 
ATOM 140 C C   . PHE HAG  1 19 ? 10.841  2.887   -1.383  1.00 52.95 19 HAG  1 
ATOM 141 O O   . PHE HAG  1 19 ? 10.059  2.752   -0.445  1.00 51.70 19 HAG  1 
ATOM 142 C CB  . PHE HAG  1 19 ? 10.469  1.536   -3.442  1.00 51.49 19 HAG  1 
ATOM 143 C CG  . PHE HAG  1 19 ? 9.710   0.477   -2.697  1.00 47.85 19 HAG  1 
ATOM 144 C CD1 . PHE HAG  1 19 ? 8.320   0.411   -2.777  1.00 44.30 19 HAG  1 
ATOM 145 C CD2 . PHE HAG  1 19 ? 10.373  -0.444  -1.896  1.00 44.55 19 HAG  1 
ATOM 146 C CE1 . PHE HAG  1 19 ? 7.615   -0.551  -2.072  1.00 41.42 19 HAG  1 
ATOM 147 C CE2 . PHE HAG  1 19 ? 9.669   -1.410  -1.189  1.00 41.51 19 HAG  1 
ATOM 148 C CZ  . PHE HAG  1 19 ? 8.286   -1.461  -1.280  1.00 41.74 19 HAG  1 
ATOM 149 N N   . ARG HAG  1 20 ? 12.136  2.995   -1.219  1.00 57.68 20 HAG  1 
ATOM 150 C CA  . ARG HAG  1 20 ? 12.719  2.963   0.125   1.00 57.70 20 HAG  1 
ATOM 151 C C   . ARG HAG  1 20 ? 12.145  4.085   0.988   1.00 57.25 20 HAG  1 
ATOM 152 O O   . ARG HAG  1 20 ? 11.838  3.887   2.161   1.00 56.63 20 HAG  1 
ATOM 153 C CB  . ARG HAG  1 20 ? 14.242  3.078   0.042   1.00 57.75 20 HAG  1 
ATOM 154 C CG  . ARG HAG  1 20 ? 14.898  1.823   -0.517  1.00 52.84 20 HAG  1 
ATOM 155 C CD  . ARG HAG  1 20 ? 16.392  2.016   -0.695  1.00 50.76 20 HAG  1 
ATOM 156 N NE  . ARG HAG  1 20 ? 16.688  2.974   -1.758  1.00 47.25 20 HAG  1 
ATOM 157 C CZ  . ARG HAG  1 20 ? 17.913  3.309   -2.138  1.00 43.10 20 HAG  1 
ATOM 158 N NH1 . ARG HAG  1 20 ? 18.965  2.763   -1.553  1.00 39.53 20 HAG  1 
ATOM 159 N NH2 . ARG HAG  1 20 ? 18.084  4.190   -3.109  1.00 39.54 20 HAG  1 
ATOM 160 N N   . ARG HAG  1 21 ? 11.998  5.255   0.400   1.00 56.27 21 HAG  1 
ATOM 161 C CA  . ARG HAG  1 21 ? 11.429  6.391   1.120   1.00 57.79 21 HAG  1 
ATOM 162 C C   . ARG HAG  1 21 ? 9.929   6.205   1.321   1.00 57.09 21 HAG  1 
ATOM 163 O O   . ARG HAG  1 21 ? 9.377   6.616   2.342   1.00 55.95 21 HAG  1 
ATOM 164 C CB  . ARG HAG  1 21 ? 11.701  7.691   0.362   1.00 57.76 21 HAG  1 
ATOM 165 C CG  . ARG HAG  1 21 ? 13.180  8.053   0.312   1.00 52.53 21 HAG  1 
ATOM 166 C CD  . ARG HAG  1 21 ? 13.403  9.396   -0.353  1.00 52.15 21 HAG  1 
ATOM 167 N NE  . ARG HAG  1 21 ? 14.815  9.766   -0.369  1.00 50.03 21 HAG  1 
ATOM 168 C CZ  . ARG HAG  1 21 ? 15.291  10.898  -0.874  1.00 46.89 21 HAG  1 
ATOM 169 N NH1 . ARG HAG  1 21 ? 14.472  11.780  -1.409  1.00 44.09 21 HAG  1 
ATOM 170 N NH2 . ARG HAG  1 21 ? 16.591  11.140  -0.841  1.00 42.20 21 HAG  1 
ATOM 171 N N   . CYS HAG  1 22 ? 9.287   5.601   0.341   1.00 57.57 22 HAG  1 
ATOM 172 C CA  . CYS HAG  1 22 ? 7.853   5.338   0.435   1.00 55.51 22 HAG  1 
ATOM 173 C C   . CYS HAG  1 22 ? 7.549   4.452   1.636   1.00 53.51 22 HAG  1 
ATOM 174 O O   . CYS HAG  1 22 ? 6.555   4.651   2.331   1.00 51.19 22 HAG  1 
ATOM 175 C CB  . CYS HAG  1 22 ? 7.341   4.658   -0.833  1.00 54.12 22 HAG  1 
ATOM 176 S SG  . CYS HAG  1 22 ? 5.596   4.181   -0.748  1.00 49.90 22 HAG  1 
ATOM 177 N N   . ARG HAG  1 23 ? 8.407   3.494   1.866   1.00 57.89 23 HAG  1 
ATOM 178 C CA  . ARG HAG  1 23 ? 8.227   2.576   2.988   1.00 56.29 23 HAG  1 
ATOM 179 C C   . ARG HAG  1 23 ? 8.107   3.366   4.293   1.00 56.14 23 HAG  1 
ATOM 180 O O   . ARG HAG  1 23 ? 7.323   3.013   5.171   1.00 54.09 23 HAG  1 
ATOM 181 C CB  . ARG HAG  1 23 ? 9.405   1.601   3.068   1.00 53.62 23 HAG  1 
ATOM 182 C CG  . ARG HAG  1 23 ? 9.241   0.547   4.156   1.00 47.21 23 HAG  1 
ATOM 183 C CD  . ARG HAG  1 23 ? 10.415  -0.419  4.158   1.00 44.66 23 HAG  1 
ATOM 184 N NE  . ARG HAG  1 23 ? 11.677  0.255   4.436   1.00 41.11 23 HAG  1 
ATOM 185 C CZ  . ARG HAG  1 23 ? 12.868  -0.326  4.388   1.00 38.54 23 HAG  1 
ATOM 186 N NH1 . ARG HAG  1 23 ? 12.972  -1.610  4.071   1.00 35.59 23 HAG  1 
ATOM 187 N NH2 . ARG HAG  1 23 ? 13.959  0.367   4.654   1.00 35.82 23 HAG  1 
ATOM 188 N N   . ASP HAG  1 24 ? 8.888   4.424   4.397   1.00 54.33 24 HAG  1 
ATOM 189 C CA  . ASP HAG  1 24 ? 8.848   5.273   5.584   1.00 54.73 24 HAG  1 
ATOM 190 C C   . ASP HAG  1 24 ? 7.685   6.259   5.531   1.00 55.03 24 HAG  1 
ATOM 191 O O   . ASP HAG  1 24 ? 7.287   6.814   6.556   1.00 54.07 24 HAG  1 
ATOM 192 C CB  . ASP HAG  1 24 ? 10.164  6.040   5.733   1.00 53.87 24 HAG  1 
ATOM 193 C CG  . ASP HAG  1 24 ? 11.352  5.118   5.956   1.00 50.54 24 HAG  1 
ATOM 194 O OD1 . ASP HAG  1 24 ? 11.188  4.094   6.656   1.00 48.46 24 HAG  1 
ATOM 195 O OD2 . ASP HAG  1 24 ? 12.441  5.421   5.443   1.00 48.92 24 HAG  1 
ATOM 196 N N   . ARG HAG  1 25 ? 7.148   6.470   4.342   1.00 58.22 25 HAG  1 
ATOM 197 C CA  . ARG HAG  1 25 ? 6.031   7.385   4.150   1.00 58.08 25 HAG  1 
ATOM 198 C C   . ARG HAG  1 25 ? 4.718   6.628   3.974   1.00 57.44 25 HAG  1 
ATOM 199 O O   . ARG HAG  1 25 ? 3.750   7.161   3.433   1.00 55.60 25 HAG  1 
ATOM 200 C CB  . ARG HAG  1 25 ? 6.289   8.269   2.927   1.00 56.42 25 HAG  1 
ATOM 201 C CG  . ARG HAG  1 25 ? 7.466   9.217   3.089   1.00 50.71 25 HAG  1 
ATOM 202 C CD  . ARG HAG  1 25 ? 7.668   10.047  1.834   1.00 49.36 25 HAG  1 
ATOM 203 N NE  . ARG HAG  1 25 ? 8.731   11.039  1.991   1.00 47.02 25 HAG  1 
ATOM 204 C CZ  . ARG HAG  1 25 ? 9.138   11.862  1.031   1.00 44.00 25 HAG  1 
ATOM 205 N NH1 . ARG HAG  1 25 ? 8.581   11.821  -0.165  1.00 40.71 25 HAG  1 
ATOM 206 N NH2 . ARG HAG  1 25 ? 10.110  12.729  1.270   1.00 40.15 25 HAG  1 
ATOM 207 N N   . CYS HAG  1 26 ? 4.693   5.413   4.423   1.00 55.58 26 HAG  1 
ATOM 208 C CA  . CYS HAG  1 26 ? 3.508   4.570   4.290   1.00 54.18 26 HAG  1 
ATOM 209 C C   . CYS HAG  1 26 ? 2.281   5.216   4.930   1.00 53.51 26 HAG  1 
ATOM 210 O O   . CYS HAG  1 26 ? 1.177   5.133   4.397   1.00 50.84 26 HAG  1 
ATOM 211 C CB  . CYS HAG  1 26 ? 3.764   3.194   4.913   1.00 51.24 26 HAG  1 
ATOM 212 S SG  . CYS HAG  1 26 ? 2.476   1.986   4.551   1.00 47.10 26 HAG  1 
ATOM 213 N N   . ARG HAG  1 27 ? 2.480   5.861   6.055   1.00 56.31 27 HAG  1 
ATOM 214 C CA  . ARG HAG  1 27 ? 1.383   6.528   6.751   1.00 56.18 27 HAG  1 
ATOM 215 C C   . ARG HAG  1 27 ? 0.810   7.664   5.902   1.00 56.82 27 HAG  1 
ATOM 216 O O   . ARG HAG  1 27 ? -0.407  7.840   5.834   1.00 55.21 27 HAG  1 
ATOM 217 C CB  . ARG HAG  1 27 ? 1.855   7.073   8.101   1.00 54.04 27 HAG  1 
ATOM 218 C CG  . ARG HAG  1 27 ? 0.746   7.749   8.893   1.00 48.81 27 HAG  1 
ATOM 219 C CD  . ARG HAG  1 27 ? 1.233   8.175   10.264  1.00 47.13 27 HAG  1 
ATOM 220 N NE  . ARG HAG  1 27 ? 1.568   7.027   11.104  1.00 43.38 27 HAG  1 
ATOM 221 C CZ  . ARG HAG  1 27 ? 2.093   7.114   12.318  1.00 41.06 27 HAG  1 
ATOM 222 N NH1 . ARG HAG  1 27 ? 2.347   8.301   12.850  1.00 37.48 27 HAG  1 
ATOM 223 N NH2 . ARG HAG  1 27 ? 2.365   6.014   13.003  1.00 37.47 27 HAG  1 
ATOM 224 N N   . ASP HAG  1 28 ? 1.686   8.429   5.270   1.00 55.44 28 HAG  1 
ATOM 225 C CA  . ASP HAG  1 28 ? 1.242   9.525   4.410   1.00 57.06 28 HAG  1 
ATOM 226 C C   . ASP HAG  1 28 ? 0.436   8.983   3.237   1.00 58.66 28 HAG  1 
ATOM 227 O O   . ASP HAG  1 28 ? -0.580  9.565   2.851   1.00 57.84 28 HAG  1 
ATOM 228 C CB  . ASP HAG  1 28 ? 2.438   10.323  3.884   1.00 55.61 28 HAG  1 
ATOM 229 C CG  . ASP HAG  1 28 ? 3.134   11.110  4.978   1.00 51.43 28 HAG  1 
ATOM 230 O OD1 . ASP HAG  1 28 ? 2.544   11.283  6.064   1.00 48.80 28 HAG  1 
ATOM 231 O OD2 . ASP HAG  1 28 ? 4.271   11.565  4.743   1.00 49.84 28 HAG  1 
ATOM 232 N N   . CYS HAG  1 29 ? 0.894   7.888   2.675   1.00 56.20 29 HAG  1 
ATOM 233 C CA  . CYS HAG  1 29 ? 0.196   7.265   1.557   1.00 56.09 29 HAG  1 
ATOM 234 C C   . CYS HAG  1 29 ? -1.182  6.789   2.010   1.00 55.39 29 HAG  1 
ATOM 235 O O   . CYS HAG  1 29 ? -2.171  6.953   1.301   1.00 53.54 29 HAG  1 
ATOM 236 C CB  . CYS HAG  1 29 ? 1.004   6.092   0.999   1.00 55.02 29 HAG  1 
ATOM 237 S SG  . CYS HAG  1 29 ? 0.300   5.396   -0.510  1.00 50.73 29 HAG  1 
ATOM 238 N N   . PHE HAG  1 30 ? -1.237  6.212   3.191   1.00 55.97 30 HAG  1 
ATOM 239 C CA  . PHE HAG  1 30 ? -2.497  5.741   3.756   1.00 55.45 30 HAG  1 
ATOM 240 C C   . PHE HAG  1 30 ? -3.505  6.885   3.836   1.00 55.00 30 HAG  1 
ATOM 241 O O   . PHE HAG  1 30 ? -4.669  6.729   3.461   1.00 54.32 30 HAG  1 
ATOM 242 C CB  . PHE HAG  1 30 ? -2.266  5.162   5.153   1.00 54.21 30 HAG  1 
ATOM 243 C CG  . PHE HAG  1 30 ? -3.538  4.916   5.917   1.00 51.51 30 HAG  1 
ATOM 244 C CD1 . PHE HAG  1 30 ? -4.363  3.844   5.601   1.00 47.58 30 HAG  1 
ATOM 245 C CD2 . PHE HAG  1 30 ? -3.917  5.767   6.949   1.00 47.24 30 HAG  1 
ATOM 246 C CE1 . PHE HAG  1 30 ? -5.539  3.625   6.304   1.00 44.20 30 HAG  1 
ATOM 247 C CE2 . PHE HAG  1 30 ? -5.095  5.552   7.656   1.00 43.96 30 HAG  1 
ATOM 248 C CZ  . PHE HAG  1 30 ? -5.904  4.475   7.331   1.00 45.18 30 HAG  1 
ATOM 249 N N   . ARG HAG  1 31 ? -3.060  8.021   4.320   1.00 57.98 31 HAG  1 
ATOM 250 C CA  . ARG HAG  1 31 ? -3.926  9.189   4.439   1.00 58.40 31 HAG  1 
ATOM 251 C C   . ARG HAG  1 31 ? -4.359  9.679   3.062   1.00 58.28 31 HAG  1 
ATOM 252 O O   . ARG HAG  1 31 ? -5.506  10.098  2.880   1.00 56.99 31 HAG  1 
ATOM 253 C CB  . ARG HAG  1 31 ? -3.203  10.308  5.188   1.00 57.40 31 HAG  1 
ATOM 254 C CG  . ARG HAG  1 31 ? -2.924  9.975   6.650   1.00 51.88 31 HAG  1 
ATOM 255 C CD  . ARG HAG  1 31 ? -2.273  11.136  7.369   1.00 50.34 31 HAG  1 
ATOM 256 N NE  . ARG HAG  1 31 ? -2.005  10.829  8.775   1.00 47.56 31 HAG  1 
ATOM 257 C CZ  . ARG HAG  1 31 ? -2.925  10.849  9.734   1.00 44.18 31 HAG  1 
ATOM 258 N NH1 . ARG HAG  1 31 ? -4.175  11.158  9.454   1.00 40.29 31 HAG  1 
ATOM 259 N NH2 . ARG HAG  1 31 ? -2.582  10.552  10.981  1.00 40.12 31 HAG  1 
ATOM 260 N N   . CYS HAG  1 32 ? -3.460  9.625   2.118   1.00 58.07 32 HAG  1 
ATOM 261 C CA  . CYS HAG  1 32 ? -3.762  10.045  0.753   1.00 58.25 32 HAG  1 
ATOM 262 C C   . CYS HAG  1 32 ? -4.859  9.159   0.170   1.00 57.09 32 HAG  1 
ATOM 263 O O   . CYS HAG  1 32 ? -5.801  9.648   -0.457  1.00 55.19 32 HAG  1 
ATOM 264 C CB  . CYS HAG  1 32 ? -2.504  9.981   -0.115  1.00 57.99 32 HAG  1 
ATOM 265 S SG  . CYS HAG  1 32 ? -2.647  10.782  -1.743  1.00 53.37 32 HAG  1 
ATOM 266 N N   . PHE HAG  1 33 ? -4.738  7.870   0.383   1.00 56.54 33 HAG  1 
ATOM 267 C CA  . PHE HAG  1 33 ? -5.730  6.918   -0.113  1.00 55.46 33 HAG  1 
ATOM 268 C C   . PHE HAG  1 33 ? -7.092  7.152   0.530   1.00 53.95 33 HAG  1 
ATOM 269 O O   . PHE HAG  1 33 ? -8.127  7.056   -0.133  1.00 52.72 33 HAG  1 
ATOM 270 C CB  . PHE HAG  1 33 ? -5.287  5.479   0.180   1.00 53.59 33 HAG  1 
ATOM 271 C CG  . PHE HAG  1 33 ? -4.405  4.884   -0.882  1.00 51.42 33 HAG  1 
ATOM 272 C CD1 . PHE HAG  1 33 ? -3.049  5.165   -0.931  1.00 47.46 33 HAG  1 
ATOM 273 C CD2 . PHE HAG  1 33 ? -4.946  4.023   -1.830  1.00 47.22 33 HAG  1 
ATOM 274 C CE1 . PHE HAG  1 33 ? -2.245  4.605   -1.910  1.00 44.48 33 HAG  1 
ATOM 275 C CE2 . PHE HAG  1 33 ? -4.141  3.456   -2.808  1.00 44.04 33 HAG  1 
ATOM 276 C CZ  . PHE HAG  1 33 ? -2.789  3.746   -2.846  1.00 44.66 33 HAG  1 
ATOM 277 N N   . ARG HAG  1 34 ? -7.086  7.434   1.793   1.00 56.44 34 HAG  1 
ATOM 278 C CA  . ARG HAG  1 34 ? -8.325  7.647   2.537   1.00 56.22 34 HAG  1 
ATOM 279 C C   . ARG HAG  1 34 ? -9.054  8.915   2.097   1.00 55.99 34 HAG  1 
ATOM 280 O O   . ARG HAG  1 34 ? -10.277 8.917   1.967   1.00 54.43 34 HAG  1 
ATOM 281 C CB  . ARG HAG  1 34 ? -8.033  7.724   4.035   1.00 55.14 34 HAG  1 
ATOM 282 C CG  . ARG HAG  1 34 ? -9.285  7.824   4.895   1.00 50.09 34 HAG  1 
ATOM 283 C CD  . ARG HAG  1 34 ? -8.923  8.082   6.347   1.00 47.05 34 HAG  1 
ATOM 284 N NE  . ARG HAG  1 34 ? -8.280  9.384   6.517   1.00 44.69 34 HAG  1 
ATOM 285 C CZ  . ARG HAG  1 34 ? -7.758  9.824   7.654   1.00 41.13 34 HAG  1 
ATOM 286 N NH1 . ARG HAG  1 34 ? -7.794  9.071   8.740   1.00 38.24 34 HAG  1 
ATOM 287 N NH2 . ARG HAG  1 34 ? -7.192  11.019  7.703   1.00 38.72 34 HAG  1 
ATOM 288 N N   . ASP HAG  1 35 ? -8.309  9.973   1.878   1.00 56.59 35 HAG  1 
ATOM 289 C CA  . ASP HAG  1 35 ? -8.900  11.260  1.533   1.00 57.45 35 HAG  1 
ATOM 290 C C   . ASP HAG  1 35 ? -9.156  11.454  0.043   1.00 58.14 35 HAG  1 
ATOM 291 O O   . ASP HAG  1 35 ? -10.037 12.230  -0.339  1.00 56.36 35 HAG  1 
ATOM 292 C CB  . ASP HAG  1 35 ? -8.013  12.393  2.055   1.00 55.60 35 HAG  1 
ATOM 293 C CG  . ASP HAG  1 35 ? -7.854  12.356  3.566   1.00 50.55 35 HAG  1 
ATOM 294 O OD1 . ASP HAG  1 35 ? -8.720  11.768  4.248   1.00 48.27 35 HAG  1 
ATOM 295 O OD2 . ASP HAG  1 35 ? -6.866  12.925  4.069   1.00 48.26 35 HAG  1 
ATOM 296 N N   . CYS HAG  1 36 ? -8.398  10.776  -0.789  1.00 58.50 36 HAG  1 
ATOM 297 C CA  . CYS HAG  1 36 ? -8.554  10.899  -2.232  1.00 57.33 36 HAG  1 
ATOM 298 C C   . CYS HAG  1 36 ? -8.930  9.561   -2.865  1.00 55.84 36 HAG  1 
ATOM 299 O O   . CYS HAG  1 36 ? -9.145  8.570   -2.176  1.00 52.89 36 HAG  1 
ATOM 300 C CB  . CYS HAG  1 36 ? -7.260  11.429  -2.855  1.00 55.02 36 HAG  1 
ATOM 301 S SG  . CYS HAG  1 36 ? -6.865  13.129  -2.386  1.00 50.00 36 HAG  1 
ATOM 302 N N   . ARG HAG  1 37 ? -9.013  9.546   -4.177  1.00 55.00 37 HAG  1 
ATOM 303 C CA  . ARG HAG  1 37 ? -9.331  8.317   -4.890  1.00 56.10 37 HAG  1 
ATOM 304 C C   . ARG HAG  1 37 ? -8.176  7.337   -4.703  1.00 56.46 37 HAG  1 
ATOM 305 O O   . ARG HAG  1 37 ? -7.063  7.600   -5.150  1.00 55.37 37 HAG  1 
ATOM 306 C CB  . ARG HAG  1 37 ? -9.548  8.604   -6.376  1.00 54.44 37 HAG  1 
ATOM 307 C CG  . ARG HAG  1 37 ? -10.775 9.471   -6.651  1.00 48.30 37 HAG  1 
ATOM 308 C CD  . ARG HAG  1 37 ? -10.973 9.690   -8.141  1.00 46.26 37 HAG  1 
ATOM 309 N NE  . ARG HAG  1 37 ? -12.174 10.476  -8.421  1.00 43.23 37 HAG  1 
ATOM 310 C CZ  . ARG HAG  1 37 ? -12.577 10.827  -9.636  1.00 39.97 37 HAG  1 
ATOM 311 N NH1 . ARG HAG  1 37 ? -11.879 10.475  -10.699 1.00 36.94 37 HAG  1 
ATOM 312 N NH2 . ARG HAG  1 37 ? -13.679 11.533  -9.787  1.00 37.15 37 HAG  1 
ATOM 313 N N   . PHE HAG  1 38 ? -8.466  6.236   -4.060  1.00 52.52 38 HAG  1 
ATOM 314 C CA  . PHE HAG  1 38 ? -7.417  5.264   -3.774  1.00 53.02 38 HAG  1 
ATOM 315 C C   . PHE HAG  1 38 ? -6.739  4.739   -5.037  1.00 53.74 38 HAG  1 
ATOM 316 O O   . PHE HAG  1 38 ? -5.553  4.427   -5.022  1.00 51.91 38 HAG  1 
ATOM 317 C CB  . PHE HAG  1 38 ? -7.969  4.102   -2.935  1.00 50.58 38 HAG  1 
ATOM 318 C CG  . PHE HAG  1 38 ? -8.659  3.032   -3.736  1.00 47.38 38 HAG  1 
ATOM 319 C CD1 . PHE HAG  1 38 ? -7.926  2.009   -4.336  1.00 43.83 38 HAG  1 
ATOM 320 C CD2 . PHE HAG  1 38 ? -10.038 3.026   -3.875  1.00 45.37 38 HAG  1 
ATOM 321 C CE1 . PHE HAG  1 38 ? -8.555  1.011   -5.070  1.00 41.64 38 HAG  1 
ATOM 322 C CE2 . PHE HAG  1 38 ? -10.676 2.030   -4.607  1.00 42.17 38 HAG  1 
ATOM 323 C CZ  . PHE HAG  1 38 ? -9.930  1.027   -5.206  1.00 42.37 38 HAG  1 
ATOM 324 N N   . ARG HAG  1 39 ? -7.498  4.632   -6.116  1.00 54.34 39 HAG  1 
ATOM 325 C CA  . ARG HAG  1 39 ? -6.950  4.131   -7.377  1.00 54.26 39 HAG  1 
ATOM 326 C C   . ARG HAG  1 39 ? -5.821  5.030   -7.878  1.00 54.80 39 HAG  1 
ATOM 327 O O   . ARG HAG  1 39 ? -4.766  4.544   -8.285  1.00 52.52 39 HAG  1 
ATOM 328 C CB  . ARG HAG  1 39 ? -8.050  4.038   -8.436  1.00 52.24 39 HAG  1 
ATOM 329 C CG  . ARG HAG  1 39 ? -7.578  3.412   -9.743  1.00 46.93 39 HAG  1 
ATOM 330 C CD  . ARG HAG  1 39 ? -8.699  3.384   -10.770 1.00 44.29 39 HAG  1 
ATOM 331 N NE  . ARG HAG  1 39 ? -9.844  2.589   -10.321 1.00 40.92 39 HAG  1 
ATOM 332 C CZ  . ARG HAG  1 39 ? -11.000 2.508   -10.963 1.00 38.47 39 HAG  1 
ATOM 333 N NH1 . ARG HAG  1 39 ? -11.178 3.168   -12.099 1.00 35.13 39 HAG  1 
ATOM 334 N NH2 . ARG HAG  1 39 ? -11.981 1.771   -10.473 1.00 35.05 39 HAG  1 
ATOM 335 N N   . ASP HAG  1 40 ? -6.057  6.330   -7.849  1.00 55.28 40 HAG  1 
ATOM 336 C CA  . ASP HAG  1 40 ? -5.051  7.284   -8.314  1.00 57.32 40 HAG  1 
ATOM 337 C C   . ASP HAG  1 40 ? -3.874  7.356   -7.349  1.00 58.92 40 HAG  1 
ATOM 338 O O   . ASP HAG  1 40 ? -2.717  7.378   -7.769  1.00 57.72 40 HAG  1 
ATOM 339 C CB  . ASP HAG  1 40 ? -5.670  8.675   -8.484  1.00 55.52 40 HAG  1 
ATOM 340 C CG  . ASP HAG  1 40 ? -6.729  8.707   -9.575  1.00 51.57 40 HAG  1 
ATOM 341 O OD1 . ASP HAG  1 40 ? -6.610  7.933   -10.548 1.00 49.42 40 HAG  1 
ATOM 342 O OD2 . ASP HAG  1 40 ? -7.668  9.516   -9.459  1.00 49.98 40 HAG  1 
ATOM 343 N N   . CYS HAG  1 41 ? -4.170  7.397   -6.075  1.00 57.29 41 HAG  1 
ATOM 344 C CA  . CYS HAG  1 41 ? -3.116  7.466   -5.069  1.00 57.84 41 HAG  1 
ATOM 345 C C   . CYS HAG  1 41 ? -2.255  6.205   -5.111  1.00 57.20 41 HAG  1 
ATOM 346 O O   . CYS HAG  1 41 ? -1.035  6.274   -4.976  1.00 55.50 41 HAG  1 
ATOM 347 C CB  . CYS HAG  1 41 ? -3.714  7.650   -3.674  1.00 57.26 41 HAG  1 
ATOM 348 S SG  . CYS HAG  1 41 ? -2.479  7.965   -2.386  1.00 51.60 41 HAG  1 
ATOM 349 N N   . PHE HAG  1 42 ? -2.902  5.077   -5.315  1.00 54.47 42 HAG  1 
ATOM 350 C CA  . PHE HAG  1 42 ? -2.170  3.815   -5.387  1.00 54.14 42 HAG  1 
ATOM 351 C C   . PHE HAG  1 42 ? -1.184  3.829   -6.550  1.00 53.57 42 HAG  1 
ATOM 352 O O   . PHE HAG  1 42 ? -0.050  3.369   -6.415  1.00 52.17 42 HAG  1 
ATOM 353 C CB  . PHE HAG  1 42 ? -3.123  2.630   -5.553  1.00 52.30 42 HAG  1 
ATOM 354 C CG  . PHE HAG  1 42 ? -2.411  1.308   -5.637  1.00 50.17 42 HAG  1 
ATOM 355 C CD1 . PHE HAG  1 42 ? -1.938  0.682   -4.489  1.00 46.80 42 HAG  1 
ATOM 356 C CD2 . PHE HAG  1 42 ? -2.182  0.701   -6.868  1.00 47.27 42 HAG  1 
ATOM 357 C CE1 . PHE HAG  1 42 ? -1.255  -0.521  -4.565  1.00 43.95 42 HAG  1 
ATOM 358 C CE2 . PHE HAG  1 42 ? -1.496  -0.507  -6.952  1.00 44.01 42 HAG  1 
ATOM 359 C CZ  . PHE HAG  1 42 ? -1.035  -1.116  -5.796  1.00 44.27 42 HAG  1 
ATOM 360 N N   . ARG HAG  1 43 ? -1.621  4.348   -7.666  1.00 55.09 43 HAG  1 
ATOM 361 C CA  . ARG HAG  1 43 ? -0.760  4.432   -8.843  1.00 55.75 43 HAG  1 
ATOM 362 C C   . ARG HAG  1 43 ? 0.483   5.258   -8.528  1.00 56.14 43 HAG  1 
ATOM 363 O O   . ARG HAG  1 43 ? 1.570   4.977   -9.029  1.00 54.22 43 HAG  1 
ATOM 364 C CB  . ARG HAG  1 43 ? -1.517  5.059   -10.016 1.00 54.97 43 HAG  1 
ATOM 365 C CG  . ARG HAG  1 43 ? -0.708  5.103   -11.304 1.00 49.66 43 HAG  1 
ATOM 366 C CD  . ARG HAG  1 43 ? -1.511  5.751   -12.423 1.00 46.70 43 HAG  1 
ATOM 367 N NE  . ARG HAG  1 43 ? -1.852  7.137   -12.115 1.00 44.55 43 HAG  1 
ATOM 368 C CZ  . ARG HAG  1 43 ? -2.655  7.893   -12.852 1.00 40.56 43 HAG  1 
ATOM 369 N NH1 . ARG HAG  1 43 ? -3.202  7.404   -13.952 1.00 37.54 43 HAG  1 
ATOM 370 N NH2 . ARG HAG  1 43 ? -2.910  9.139   -12.488 1.00 37.48 43 HAG  1 
ATOM 371 N N   . ASP HAG  1 44 ? 0.312   6.276   -7.710  1.00 53.91 44 HAG  1 
ATOM 372 C CA  . ASP HAG  1 44 ? 1.430   7.134   -7.329  1.00 55.25 44 HAG  1 
ATOM 373 C C   . ASP HAG  1 44 ? 2.259   6.522   -6.203  1.00 56.55 44 HAG  1 
ATOM 374 O O   . ASP HAG  1 44 ? 3.438   6.844   -6.051  1.00 54.66 44 HAG  1 
ATOM 375 C CB  . ASP HAG  1 44 ? 0.920   8.511   -6.897  1.00 52.72 44 HAG  1 
ATOM 376 C CG  . ASP HAG  1 44 ? 0.270   9.277   -8.039  1.00 48.01 44 HAG  1 
ATOM 377 O OD1 . ASP HAG  1 44 ? 0.663   9.071   -9.209  1.00 45.06 44 HAG  1 
ATOM 378 O OD2 . ASP HAG  1 44 ? -0.628  10.096  -7.762  1.00 45.23 44 HAG  1 
ATOM 379 N N   . CYS HAG  1 45 ? 1.629   5.682   -5.428  1.00 55.45 45 HAG  1 
ATOM 380 C CA  . CYS HAG  1 45 ? 2.302   5.060   -4.290  1.00 55.37 45 HAG  1 
ATOM 381 C C   . CYS HAG  1 45 ? 3.013   3.754   -4.649  1.00 53.61 45 HAG  1 
ATOM 382 O O   . CYS HAG  1 45 ? 3.965   3.354   -3.975  1.00 51.97 45 HAG  1 
ATOM 383 C CB  . CYS HAG  1 45 ? 1.294   4.808   -3.166  1.00 54.73 45 HAG  1 
ATOM 384 S SG  . CYS HAG  1 45 ? 2.035   4.286   -1.601  1.00 50.78 45 HAG  1 
ATOM 385 N N   . PHE HAG  1 46 ? 2.550   3.089   -5.710  1.00 52.58 46 HAG  1 
ATOM 386 C CA  . PHE HAG  1 46 ? 3.139   1.813   -6.114  1.00 51.12 46 HAG  1 
ATOM 387 C C   . PHE HAG  1 46 ? 3.447   1.787   -7.608  1.00 47.43 46 HAG  1 
ATOM 388 O O   . PHE HAG  1 46 ? 4.480   1.219   -7.992  1.00 43.45 46 HAG  1 
ATOM 389 C CB  . PHE HAG  1 46 ? 2.196   0.655   -5.769  1.00 48.64 46 HAG  1 
ATOM 390 C CG  . PHE HAG  1 46 ? 2.010   0.444   -4.292  1.00 46.52 46 HAG  1 
ATOM 391 C CD1 . PHE HAG  1 46 ? 1.053   1.150   -3.579  1.00 44.30 46 HAG  1 
ATOM 392 C CD2 . PHE HAG  1 46 ? 2.820   -0.457  -3.610  1.00 42.62 46 HAG  1 
ATOM 393 C CE1 . PHE HAG  1 46 ? 0.897   0.962   -2.218  1.00 42.90 46 HAG  1 
ATOM 394 C CE2 . PHE HAG  1 46 ? 2.668   -0.657  -2.248  1.00 44.03 46 HAG  1 
ATOM 395 C CZ  . PHE HAG  1 46 ? 1.703   0.052   -1.550  1.00 41.79 46 HAG  1 
ATOM 396 O OXT . PHE HAG  1 46 ? 2.667   2.348   -8.392  1.00 44.93 46 HAG  1 
ATOM 397 N N   . ALA ABBA 2 1  ? -6.384  -25.107 -10.523 1.00 30.38 1  ABBA 1 
ATOM 398 C CA  . ALA ABBA 2 1  ? -6.142  -25.194 -9.075  1.00 35.65 1  ABBA 1 
ATOM 399 C C   . ALA ABBA 2 1  ? -7.445  -25.089 -8.292  1.00 37.26 1  ABBA 1 
ATOM 400 O O   . ALA ABBA 2 1  ? -8.393  -24.437 -8.738  1.00 34.35 1  ABBA 1 
ATOM 401 C CB  . ALA ABBA 2 1  ? -5.191  -24.084 -8.643  1.00 33.95 1  ABBA 1 
ATOM 402 N N   . GLY ABBA 2 2  ? -7.500  -25.749 -7.144  1.00 32.36 2  ABBA 1 
ATOM 403 C CA  . GLY ABBA 2 2  ? -8.692  -25.717 -6.313  1.00 35.97 2  ABBA 1 
ATOM 404 C C   . GLY ABBA 2 2  ? -8.800  -24.445 -5.496  1.00 36.25 2  ABBA 1 
ATOM 405 O O   . GLY ABBA 2 2  ? -7.886  -23.615 -5.492  1.00 34.13 2  ABBA 1 
ATOM 406 N N   . HIS ABBA 2 3  ? -9.919  -24.306 -4.815  1.00 36.45 3  ABBA 1 
ATOM 407 C CA  . HIS ABBA 2 3  ? -10.143 -23.135 -3.969  1.00 40.19 3  ABBA 1 
ATOM 408 C C   . HIS ABBA 2 3  ? -9.182  -23.132 -2.784  1.00 40.43 3  ABBA 1 
ATOM 409 O O   . HIS ABBA 2 3  ? -8.789  -24.190 -2.289  1.00 37.82 3  ABBA 1 
ATOM 410 C CB  . HIS ABBA 2 3  ? -11.589 -23.121 -3.456  1.00 38.38 3  ABBA 1 
ATOM 411 C CG  . HIS ABBA 2 3  ? -12.592 -22.746 -4.506  1.00 35.06 3  ABBA 1 
ATOM 412 N ND1 . HIS ABBA 2 3  ? -12.944 -23.576 -5.545  1.00 31.46 3  ABBA 1 
ATOM 413 C CD2 . HIS ABBA 2 3  ? -13.328 -21.620 -4.660  1.00 31.68 3  ABBA 1 
ATOM 414 C CE1 . HIS ABBA 2 3  ? -13.842 -22.964 -6.297  1.00 31.00 3  ABBA 1 
ATOM 415 N NE2 . HIS ABBA 2 3  ? -14.104 -21.784 -5.792  1.00 32.84 3  ABBA 1 
ATOM 416 N N   . GLY ABBA 2 4  ? -8.820  -21.929 -2.348  1.00 36.45 4  ABBA 1 
ATOM 417 C CA  . GLY ABBA 2 4  ? -7.917  -21.801 -1.220  1.00 38.96 4  ABBA 1 
ATOM 418 C C   . GLY ABBA 2 4  ? -6.455  -21.857 -1.612  1.00 38.95 4  ABBA 1 
ATOM 419 O O   . GLY ABBA 2 4  ? -5.579  -21.783 -0.750  1.00 36.92 4  ABBA 1 
ATOM 420 N N   . HIS ABBA 2 5  ? -6.197  -21.970 -2.905  1.00 37.69 5  ABBA 1 
ATOM 421 C CA  . HIS ABBA 2 5  ? -4.824  -22.018 -3.391  1.00 40.57 5  ABBA 1 
ATOM 422 C C   . HIS ABBA 2 5  ? -4.463  -20.733 -4.130  1.00 41.04 5  ABBA 1 
ATOM 423 O O   . HIS ABBA 2 5  ? -5.219  -20.270 -4.988  1.00 38.50 5  ABBA 1 
ATOM 424 C CB  . HIS ABBA 2 5  ? -4.628  -23.220 -4.319  1.00 38.81 5  ABBA 1 
ATOM 425 C CG  . HIS ABBA 2 5  ? -4.721  -24.541 -3.612  1.00 35.74 5  ABBA 1 
ATOM 426 N ND1 . HIS ABBA 2 5  ? -3.715  -25.026 -2.806  1.00 31.99 5  ABBA 1 
ATOM 427 C CD2 . HIS ABBA 2 5  ? -5.694  -25.477 -3.597  1.00 31.96 5  ABBA 1 
ATOM 428 C CE1 . HIS ABBA 2 5  ? -4.083  -26.201 -2.323  1.00 30.82 5  ABBA 1 
ATOM 429 N NE2 . HIS ABBA 2 5  ? -5.271  -26.508 -2.783  1.00 32.09 5  ABBA 1 
ATOM 430 N N   . GLY ABBA 2 6  ? -3.313  -20.169 -3.775  1.00 38.55 6  ABBA 1 
ATOM 431 C CA  . GLY ABBA 2 6  ? -2.865  -18.945 -4.410  1.00 40.39 6  ABBA 1 
ATOM 432 C C   . GLY ABBA 2 6  ? -2.235  -19.216 -5.761  1.00 40.49 6  ABBA 1 
ATOM 433 O O   . GLY ABBA 2 6  ? -1.786  -20.335 -6.036  1.00 38.72 6  ABBA 1 
ATOM 434 N N   . HIS ABBA 2 7  ? -2.216  -18.187 -6.592  1.00 39.87 7  ABBA 1 
ATOM 435 C CA  . HIS ABBA 2 7  ? -1.637  -18.313 -7.920  1.00 42.62 7  ABBA 1 
ATOM 436 C C   . HIS ABBA 2 7  ? -0.270  -17.644 -8.009  1.00 44.16 7  ABBA 1 
ATOM 437 O O   . HIS ABBA 2 7  ? 0.708   -18.266 -8.421  1.00 41.58 7  ABBA 1 
ATOM 438 C CB  . HIS ABBA 2 7  ? -2.586  -17.708 -8.961  1.00 39.99 7  ABBA 1 
ATOM 439 C CG  . HIS ABBA 2 7  ? -3.917  -18.400 -9.025  1.00 36.59 7  ABBA 1 
ATOM 440 N ND1 . HIS ABBA 2 7  ? -4.095  -19.616 -9.636  1.00 32.49 7  ABBA 1 
ATOM 441 C CD2 . HIS ABBA 2 7  ? -5.125  -18.047 -8.543  1.00 32.15 7  ABBA 1 
ATOM 442 C CE1 . HIS ABBA 2 7  ? -5.365  -19.976 -9.521  1.00 30.13 7  ABBA 1 
ATOM 443 N NE2 . HIS ABBA 2 7  ? -6.019  -19.047 -8.869  1.00 30.73 7  ABBA 1 
ATOM 444 N N   . GLY ABBA 2 8  ? -0.220  -16.375 -7.625  1.00 44.75 8  ABBA 1 
ATOM 445 C CA  . GLY ABBA 2 8  ? 1.031   -15.637 -7.689  1.00 47.52 8  ABBA 1 
ATOM 446 C C   . GLY ABBA 2 8  ? 1.397   -14.920 -6.405  1.00 49.36 8  ABBA 1 
ATOM 447 O O   . GLY ABBA 2 8  ? 2.456   -14.294 -6.324  1.00 47.33 8  ABBA 1 
ATOM 448 N N   . CYS ABBA 2 9  ? 0.539   -15.011 -5.403  1.00 51.13 9  ABBA 1 
ATOM 449 C CA  . CYS ABBA 2 9  ? 0.789   -14.353 -4.125  1.00 51.99 9  ABBA 1 
ATOM 450 C C   . CYS ABBA 2 9  ? 0.938   -15.370 -3.004  1.00 51.92 9  ABBA 1 
ATOM 451 O O   . CYS ABBA 2 9  ? 0.175   -16.332 -2.922  1.00 49.74 9  ABBA 1 
ATOM 452 C CB  . CYS ABBA 2 9  ? -0.345  -13.391 -3.765  1.00 50.12 9  ABBA 1 
ATOM 453 S SG  . CYS ABBA 2 9  ? -0.419  -11.893 -4.774  1.00 45.97 9  ABBA 1 
ATOM 454 N N   . ASP ABBA 2 10 ? 1.905   -15.135 -2.165  1.00 52.72 10 ABBA 1 
ATOM 455 C CA  . ASP ABBA 2 10 ? 2.116   -16.005 -1.016  1.00 53.56 10 ABBA 1 
ATOM 456 C C   . ASP ABBA 2 10 ? 1.141   -15.653 0.099   1.00 53.92 10 ABBA 1 
ATOM 457 O O   . ASP ABBA 2 10 ? 0.645   -16.534 0.801   1.00 52.26 10 ABBA 1 
ATOM 458 C CB  . ASP ABBA 2 10 ? 3.555   -15.882 -0.502  1.00 51.16 10 ABBA 1 
ATOM 459 C CG  . ASP ABBA 2 10 ? 4.571   -16.440 -1.485  1.00 47.37 10 ABBA 1 
ATOM 460 O OD1 . ASP ABBA 2 10 ? 4.252   -17.433 -2.173  1.00 44.40 10 ABBA 1 
ATOM 461 O OD2 . ASP ABBA 2 10 ? 5.692   -15.899 -1.546  1.00 44.10 10 ABBA 1 
ATOM 462 N N   . ARG ABBA 2 11 ? 0.864   -14.358 0.231   1.00 54.43 11 ABBA 1 
ATOM 463 C CA  . ARG ABBA 2 11 ? -0.031  -13.896 1.285   1.00 55.72 11 ABBA 1 
ATOM 464 C C   . ARG ABBA 2 11 ? -0.405  -12.429 1.133   1.00 56.54 11 ABBA 1 
ATOM 465 O O   . ARG ABBA 2 11 ? 0.285   -11.666 0.457   1.00 53.99 11 ABBA 1 
ATOM 466 C CB  . ARG ABBA 2 11 ? 0.630   -14.084 2.655   1.00 52.86 11 ABBA 1 
ATOM 467 C CG  . ARG ABBA 2 11 ? 1.881   -13.230 2.833   1.00 46.87 11 ABBA 1 
ATOM 468 C CD  . ARG ABBA 2 11 ? 2.518   -13.430 4.192   1.00 44.40 11 ABBA 1 
ATOM 469 N NE  . ARG ABBA 2 11 ? 3.720   -12.619 4.365   1.00 42.15 11 ABBA 1 
ATOM 470 C CZ  . ARG ABBA 2 11 ? 4.501   -12.639 5.439   1.00 37.89 11 ABBA 1 
ATOM 471 N NH1 . ARG ABBA 2 11 ? 4.210   -13.430 6.454   1.00 35.39 11 ABBA 1 
ATOM 472 N NH2 . ARG ABBA 2 11 ? 5.569   -11.862 5.496   1.00 35.07 11 ABBA 1 
ATOM 473 N N   . CYS ABBA 2 12 ? -1.498  -12.063 1.775   1.00 54.24 12 ABBA 1 
ATOM 474 C CA  . CYS ABBA 2 12 ? -1.953  -10.681 1.856   1.00 53.95 12 ABBA 1 
ATOM 475 C C   . CYS ABBA 2 12 ? -2.396  -10.511 3.303   1.00 52.93 12 ABBA 1 
ATOM 476 O O   . CYS ABBA 2 12 ? -3.079  -11.381 3.852   1.00 51.25 12 ABBA 1 
ATOM 477 C CB  . CYS ABBA 2 12 ? -3.121  -10.401 0.908   1.00 52.90 12 ABBA 1 
ATOM 478 S SG  . CYS ABBA 2 12 ? -2.715  -10.449 -0.876  1.00 49.03 12 ABBA 1 
ATOM 479 N N   . PHE ABBA 2 13 ? -2.002  -9.423  3.902   1.00 56.30 13 ABBA 1 
ATOM 480 C CA  . PHE ABBA 2 13 ? -2.324  -9.177  5.303   1.00 56.16 13 ABBA 1 
ATOM 481 C C   . PHE ABBA 2 13 ? -3.143  -7.907  5.482   1.00 56.40 13 ABBA 1 
ATOM 482 O O   . PHE ABBA 2 13 ? -3.171  -7.043  4.608   1.00 54.28 13 ABBA 1 
ATOM 483 C CB  . PHE ABBA 2 13 ? -1.035  -9.096  6.124   1.00 52.94 13 ABBA 1 
ATOM 484 C CG  . PHE ABBA 2 13 ? 0.066   -8.330  5.440   1.00 50.48 13 ABBA 1 
ATOM 485 C CD1 . PHE ABBA 2 13 ? 0.103   -6.942  5.481   1.00 46.57 13 ABBA 1 
ATOM 486 C CD2 . PHE ABBA 2 13 ? 1.057   -9.004  4.733   1.00 47.10 13 ABBA 1 
ATOM 487 C CE1 . PHE ABBA 2 13 ? 1.108   -6.238  4.829   1.00 43.59 13 ABBA 1 
ATOM 488 C CE2 . PHE ABBA 2 13 ? 2.067   -8.303  4.083   1.00 44.28 13 ABBA 1 
ATOM 489 C CZ  . PHE ABBA 2 13 ? 2.087   -6.920  4.133   1.00 43.64 13 ABBA 1 
ATOM 490 N N   . ASP ABBA 2 14 ? -3.810  -7.810  6.621   1.00 54.30 14 ABBA 1 
ATOM 491 C CA  . ASP ABBA 2 14 ? -4.660  -6.662  6.927   1.00 55.38 14 ABBA 1 
ATOM 492 C C   . ASP ABBA 2 14 ? -3.848  -5.580  7.638   1.00 56.06 14 ABBA 1 
ATOM 493 O O   . ASP ABBA 2 14 ? -3.550  -5.694  8.828   1.00 55.15 14 ABBA 1 
ATOM 494 C CB  . ASP ABBA 2 14 ? -5.839  -7.109  7.798   1.00 53.59 14 ABBA 1 
ATOM 495 C CG  . ASP ABBA 2 14 ? -6.909  -6.034  7.919   1.00 49.32 14 ABBA 1 
ATOM 496 O OD1 . ASP ABBA 2 14 ? -6.586  -4.834  7.811   1.00 47.08 14 ABBA 1 
ATOM 497 O OD2 . ASP ABBA 2 14 ? -8.085  -6.396  8.132   1.00 47.98 14 ABBA 1 
ATOM 498 N N   . CYS ABBA 2 15 ? -3.509  -4.540  6.896   1.00 56.81 15 ABBA 1 
ATOM 499 C CA  . CYS ABBA 2 15 ? -2.727  -3.440  7.450   1.00 55.69 15 ABBA 1 
ATOM 500 C C   . CYS ABBA 2 15 ? -3.540  -2.549  8.381   1.00 54.37 15 ABBA 1 
ATOM 501 O O   . CYS ABBA 2 15 ? -2.984  -1.908  9.268   1.00 52.11 15 ABBA 1 
ATOM 502 C CB  . CYS ABBA 2 15 ? -2.132  -2.593  6.323   1.00 53.68 15 ABBA 1 
ATOM 503 S SG  . CYS ABBA 2 15 ? -0.849  -3.437  5.362   1.00 50.30 15 ABBA 1 
ATOM 504 N N   . ARG ABBA 2 16 ? -4.837  -2.503  8.171   1.00 56.04 16 ABBA 1 
ATOM 505 C CA  . ARG ABBA 2 16 ? -5.688  -1.681  9.027   1.00 53.98 16 ABBA 1 
ATOM 506 C C   . ARG ABBA 2 16 ? -5.685  -2.230  10.449  1.00 53.07 16 ABBA 1 
ATOM 507 O O   . ARG ABBA 2 16 ? -5.737  -1.476  11.418  1.00 50.92 16 ABBA 1 
ATOM 508 C CB  . ARG ABBA 2 16 ? -7.121  -1.653  8.490   1.00 51.06 16 ABBA 1 
ATOM 509 C CG  . ARG ABBA 2 16 ? -7.266  -0.901  7.179   1.00 45.99 16 ABBA 1 
ATOM 510 C CD  . ARG ABBA 2 16 ? -8.709  -0.939  6.697   1.00 43.66 16 ABBA 1 
ATOM 511 N NE  . ARG ABBA 2 16 ? -9.149  -2.304  6.410   1.00 39.61 16 ABBA 1 
ATOM 512 C CZ  . ARG ABBA 2 16 ? -10.376 -2.632  6.023   1.00 37.16 16 ABBA 1 
ATOM 513 N NH1 . ARG ABBA 2 16 ? -11.298 -1.697  5.865   1.00 33.43 16 ABBA 1 
ATOM 514 N NH2 . ARG ABBA 2 16 ? -10.678 -3.898  5.799   1.00 34.17 16 ABBA 1 
ATOM 515 N N   . ARG ABBA 2 17 ? -5.637  -3.536  10.529  1.00 57.56 17 ABBA 1 
ATOM 516 C CA  . ARG ABBA 2 17 ? -5.633  -4.194  11.832  1.00 58.87 17 ABBA 1 
ATOM 517 C C   . ARG ABBA 2 17 ? -4.297  -3.998  12.543  1.00 58.57 17 ABBA 1 
ATOM 518 O O   . ARG ABBA 2 17 ? -4.259  -3.724  13.741  1.00 56.75 17 ABBA 1 
ATOM 519 C CB  . ARG ABBA 2 17 ? -5.927  -5.684  11.664  1.00 58.32 17 ABBA 1 
ATOM 520 C CG  . ARG ABBA 2 17 ? -6.109  -6.421  12.981  1.00 52.68 17 ABBA 1 
ATOM 521 C CD  . ARG ABBA 2 17 ? -6.489  -7.873  12.748  1.00 50.85 17 ABBA 1 
ATOM 522 N NE  . ARG ABBA 2 17 ? -6.755  -8.579  14.003  1.00 48.08 17 ABBA 1 
ATOM 523 C CZ  . ARG ABBA 2 17 ? -7.882  -8.473  14.697  1.00 43.70 17 ABBA 1 
ATOM 524 N NH1 . ARG ABBA 2 17 ? -8.862  -7.695  14.264  1.00 39.60 17 ABBA 1 
ATOM 525 N NH2 . ARG ABBA 2 17 ? -8.026  -9.148  15.826  1.00 39.86 17 ABBA 1 
ATOM 526 N N   . ASP ABBA 2 18 ? -3.220  -4.144  11.790  1.00 54.90 18 ABBA 1 
ATOM 527 C CA  . ASP ABBA 2 18 ? -1.881  -3.975  12.338  1.00 55.92 18 ABBA 1 
ATOM 528 C C   . ASP ABBA 2 18 ? -1.084  -3.012  11.458  1.00 56.06 18 ABBA 1 
ATOM 529 O O   . ASP ABBA 2 18 ? -0.129  -3.406  10.785  1.00 54.74 18 ABBA 1 
ATOM 530 C CB  . ASP ABBA 2 18 ? -1.170  -5.326  12.421  1.00 54.61 18 ABBA 1 
ATOM 531 C CG  . ASP ABBA 2 18 ? -1.884  -6.311  13.328  1.00 50.62 18 ABBA 1 
ATOM 532 O OD1 . ASP ABBA 2 18 ? -2.056  -6.000  14.522  1.00 49.51 18 ABBA 1 
ATOM 533 O OD2 . ASP ABBA 2 18 ? -2.264  -7.397  12.849  1.00 50.56 18 ABBA 1 
ATOM 534 N N   . PHE ABBA 2 19 ? -1.503  -1.759  11.462  1.00 55.90 19 ABBA 1 
ATOM 535 C CA  . PHE ABBA 2 19 ? -0.881  -0.753  10.609  1.00 54.30 19 ABBA 1 
ATOM 536 C C   . PHE ABBA 2 19 ? 0.605   -0.547  10.886  1.00 53.67 19 ABBA 1 
ATOM 537 O O   . PHE ABBA 2 19 ? 1.396   -0.402  9.958   1.00 52.45 19 ABBA 1 
ATOM 538 C CB  . PHE ABBA 2 19 ? -1.608  0.587   10.741  1.00 52.53 19 ABBA 1 
ATOM 539 C CG  . PHE ABBA 2 19 ? -1.089  1.633   9.795   1.00 49.13 19 ABBA 1 
ATOM 540 C CD1 . PHE ABBA 2 19 ? -1.382  1.566   8.439   1.00 45.62 19 ABBA 1 
ATOM 541 C CD2 . PHE ABBA 2 19 ? -0.288  2.672   10.256  1.00 45.99 19 ABBA 1 
ATOM 542 C CE1 . PHE ABBA 2 19 ? -0.887  2.518   7.560   1.00 43.05 19 ABBA 1 
ATOM 543 C CE2 . PHE ABBA 2 19 ? 0.210   3.627   9.378   1.00 43.11 19 ABBA 1 
ATOM 544 C CZ  . PHE ABBA 2 19 ? -0.093  3.548   8.028   1.00 43.18 19 ABBA 1 
ATOM 545 N N   . ARG ABBA 2 20 ? 0.971   -0.523  12.137  1.00 57.23 20 ABBA 1 
ATOM 546 C CA  . ARG ABBA 2 20 ? 2.376   -0.329  12.496  1.00 57.02 20 ABBA 1 
ATOM 547 C C   . ARG ABBA 2 20 ? 3.247   -1.422  11.882  1.00 56.41 20 ABBA 1 
ATOM 548 O O   . ARG ABBA 2 20 ? 4.337   -1.155  11.379  1.00 55.57 20 ABBA 1 
ATOM 549 C CB  . ARG ABBA 2 20 ? 2.535   -0.313  14.017  1.00 56.96 20 ABBA 1 
ATOM 550 C CG  . ARG ABBA 2 20 ? 1.966   0.945   14.657  1.00 52.16 20 ABBA 1 
ATOM 551 C CD  . ARG ABBA 2 20 ? 2.027   0.872   16.170  1.00 50.25 20 ABBA 1 
ATOM 552 N NE  . ARG ABBA 2 20 ? 1.119   -0.146  16.698  1.00 46.95 20 ABBA 1 
ATOM 553 C CZ  . ARG ABBA 2 20 ? 0.958   -0.399  17.988  1.00 42.67 20 ABBA 1 
ATOM 554 N NH1 . ARG ABBA 2 20 ? 1.636   0.286   18.892  1.00 39.12 20 ABBA 1 
ATOM 555 N NH2 . ARG ABBA 2 20 ? 0.117   -1.343  18.371  1.00 39.33 20 ABBA 1 
ATOM 556 N N   . ARG ABBA 2 21 ? 2.757   -2.639  11.913  1.00 56.73 21 ABBA 1 
ATOM 557 C CA  . ARG ABBA 2 21 ? 3.489   -3.756  11.329  1.00 57.74 21 ABBA 1 
ATOM 558 C C   . ARG ABBA 2 21 ? 3.443   -3.688  9.807   1.00 57.01 21 ABBA 1 
ATOM 559 O O   . ARG ABBA 2 21 ? 4.405   -4.058  9.131   1.00 55.72 21 ABBA 1 
ATOM 560 C CB  . ARG ABBA 2 21 ? 2.904   -5.086  11.810  1.00 57.62 21 ABBA 1 
ATOM 561 C CG  . ARG ABBA 2 21 ? 3.114   -5.322  13.300  1.00 52.23 21 ABBA 1 
ATOM 562 C CD  . ARG ABBA 2 21 ? 2.626   -6.689  13.721  1.00 52.00 21 ABBA 1 
ATOM 563 N NE  . ARG ABBA 2 21 ? 2.854   -6.932  15.144  1.00 49.80 21 ABBA 1 
ATOM 564 C CZ  . ARG ABBA 2 21 ? 2.542   -8.057  15.773  1.00 46.64 21 ABBA 1 
ATOM 565 N NH1 . ARG ABBA 2 21 ? 1.978   -9.051  15.115  1.00 43.48 21 ABBA 1 
ATOM 566 N NH2 . ARG ABBA 2 21 ? 2.793   -8.180  17.065  1.00 41.99 21 ABBA 1 
ATOM 567 N N   . CYS ABBA 2 22 ? 2.327   -3.225  9.283   1.00 57.17 22 ABBA 1 
ATOM 568 C CA  . CYS ABBA 2 22 ? 2.180   -3.084  7.837   1.00 55.11 22 ABBA 1 
ATOM 569 C C   . CYS ABBA 2 22 ? 3.233   -2.135  7.281   1.00 53.18 22 ABBA 1 
ATOM 570 O O   . CYS ABBA 2 22 ? 3.786   -2.372  6.210   1.00 50.99 22 ABBA 1 
ATOM 571 C CB  . CYS ABBA 2 22 ? 0.791   -2.558  7.479   1.00 53.67 22 ABBA 1 
ATOM 572 S SG  . CYS ABBA 2 22 ? 0.570   -2.235  5.708   1.00 49.61 22 ABBA 1 
ATOM 573 N N   . ARG ABBA 2 23 ? 3.499   -1.076  8.017   1.00 57.62 23 ABBA 1 
ATOM 574 C CA  . ARG ABBA 2 23 ? 4.491   -0.093  7.592   1.00 56.06 23 ABBA 1 
ATOM 575 C C   . ARG ABBA 2 23 ? 5.831   -0.778  7.330   1.00 55.92 23 ABBA 1 
ATOM 576 O O   . ARG ABBA 2 23 ? 6.547   -0.428  6.394   1.00 53.92 23 ABBA 1 
ATOM 577 C CB  . ARG ABBA 2 23 ? 4.657   0.989   8.664   1.00 53.55 23 ABBA 1 
ATOM 578 C CG  . ARG ABBA 2 23 ? 5.600   2.110   8.242   1.00 47.42 23 ABBA 1 
ATOM 579 C CD  . ARG ABBA 2 23 ? 5.681   3.179   9.319   1.00 45.15 23 ABBA 1 
ATOM 580 N NE  . ARG ABBA 2 23 ? 6.214   2.658   10.569  1.00 41.72 23 ABBA 1 
ATOM 581 C CZ  . ARG ABBA 2 23 ? 6.288   3.342   11.700  1.00 38.97 23 ABBA 1 
ATOM 582 N NH1 . ARG ABBA 2 23 ? 5.857   4.594   11.750  1.00 36.07 23 ABBA 1 
ATOM 583 N NH2 . ARG ABBA 2 23 ? 6.789   2.782   12.784  1.00 36.18 23 ABBA 1 
ATOM 584 N N   . ASP ABBA 2 24 ? 6.154   -1.750  8.159   1.00 54.92 24 ABBA 1 
ATOM 585 C CA  . ASP ABBA 2 24 ? 7.398   -2.498  7.995   1.00 55.32 24 ABBA 1 
ATOM 586 C C   . ASP ABBA 2 24 ? 7.263   -3.586  6.934   1.00 55.87 24 ABBA 1 
ATOM 587 O O   . ASP ABBA 2 24 ? 8.264   -4.091  6.421   1.00 54.74 24 ABBA 1 
ATOM 588 C CB  . ASP ABBA 2 24 ? 7.817   -3.126  9.326   1.00 54.36 24 ABBA 1 
ATOM 589 C CG  . ASP ABBA 2 24 ? 8.132   -2.084  10.387  1.00 51.26 24 ABBA 1 
ATOM 590 O OD1 . ASP ABBA 2 24 ? 8.702   -1.025  10.035  1.00 49.16 24 ABBA 1 
ATOM 591 O OD2 . ASP ABBA 2 24 ? 7.820   -2.327  11.564  1.00 49.77 24 ABBA 1 
ATOM 592 N N   . ARG ABBA 2 25 ? 6.033   -3.937  6.608   1.00 58.49 25 ABBA 1 
ATOM 593 C CA  . ARG ABBA 2 25 ? 5.762   -4.961  5.607   1.00 58.12 25 ABBA 1 
ATOM 594 C C   . ARG ABBA 2 25 ? 5.312   -4.341  4.289   1.00 57.62 25 ABBA 1 
ATOM 595 O O   . ARG ABBA 2 25 ? 4.674   -4.996  3.466   1.00 55.58 25 ABBA 1 
ATOM 596 C CB  . ARG ABBA 2 25 ? 4.687   -5.922  6.117   1.00 56.36 25 ABBA 1 
ATOM 597 C CG  . ARG ABBA 2 25 ? 5.120   -6.745  7.319   1.00 50.62 25 ABBA 1 
ATOM 598 C CD  . ARG ABBA 2 25 ? 4.007   -7.662  7.772   1.00 49.24 25 ABBA 1 
ATOM 599 N NE  . ARG ABBA 2 25 ? 4.420   -8.540  8.865   1.00 47.09 25 ABBA 1 
ATOM 600 C CZ  . ARG ABBA 2 25 ? 3.624   -9.407  9.478   1.00 43.91 25 ABBA 1 
ATOM 601 N NH1 . ARG ABBA 2 25 ? 2.360   -9.519  9.118   1.00 40.57 25 ABBA 1 
ATOM 602 N NH2 . ARG ABBA 2 25 ? 4.097   -10.160 10.457  1.00 40.25 25 ABBA 1 
ATOM 603 N N   . CYS ABBA 2 26 ? 5.643   -3.094  4.100   1.00 55.78 26 ABBA 1 
ATOM 604 C CA  . CYS ABBA 2 26 ? 5.244   -2.369  2.897   1.00 54.32 26 ABBA 1 
ATOM 605 C C   . CYS ABBA 2 26 ? 5.734   -3.065  1.629   1.00 53.73 26 ABBA 1 
ATOM 606 O O   . CYS ABBA 2 26 ? 5.022   -3.123  0.629   1.00 51.13 26 ABBA 1 
ATOM 607 C CB  . CYS ABBA 2 26 ? 5.773   -0.931  2.942   1.00 51.50 26 ABBA 1 
ATOM 608 S SG  . CYS ABBA 2 26 ? 5.100   0.128   1.649   1.00 47.33 26 ABBA 1 
ATOM 609 N N   . ARG ABBA 2 27 ? 6.932   -3.588  1.678   1.00 56.37 27 ABBA 1 
ATOM 610 C CA  . ARG ABBA 2 27 ? 7.498   -4.292  0.527   1.00 56.40 27 ABBA 1 
ATOM 611 C C   . ARG ABBA 2 27 ? 6.678   -5.535  0.188   1.00 57.14 27 ABBA 1 
ATOM 612 O O   . ARG ABBA 2 27 ? 6.419   -5.813  -0.980  1.00 55.69 27 ABBA 1 
ATOM 613 C CB  . ARG ABBA 2 27 ? 8.953   -4.679  0.795   1.00 54.63 27 ABBA 1 
ATOM 614 C CG  . ARG ABBA 2 27 ? 9.609   -5.388  -0.381  1.00 49.73 27 ABBA 1 
ATOM 615 C CD  . ARG ABBA 2 27 ? 11.078  -5.655  -0.115  1.00 48.09 27 ABBA 1 
ATOM 616 N NE  . ARG ABBA 2 27 ? 11.848  -4.414  -0.017  1.00 44.59 27 ABBA 1 
ATOM 617 C CZ  . ARG ABBA 2 27 ? 13.137  -4.351  0.280   1.00 41.76 27 ABBA 1 
ATOM 618 N NH1 . ARG ABBA 2 27 ? 13.820  -5.460  0.512   1.00 38.23 27 ABBA 1 
ATOM 619 N NH2 . ARG ABBA 2 27 ? 13.749  -3.179  0.348   1.00 38.24 27 ABBA 1 
ATOM 620 N N   . ASP ABBA 2 28 ? 6.284   -6.275  1.209   1.00 56.62 28 ABBA 1 
ATOM 621 C CA  . ASP ABBA 2 28 ? 5.474   -7.473  0.996   1.00 58.23 28 ABBA 1 
ATOM 622 C C   . ASP ABBA 2 28 ? 4.132   -7.102  0.381   1.00 60.19 28 ABBA 1 
ATOM 623 O O   . ASP ABBA 2 28 ? 3.640   -7.792  -0.514  1.00 59.06 28 ABBA 1 
ATOM 624 C CB  . ASP ABBA 2 28 ? 5.244   -8.212  2.316   1.00 56.60 28 ABBA 1 
ATOM 625 C CG  . ASP ABBA 2 28 ? 6.514   -8.846  2.856   1.00 52.45 28 ABBA 1 
ATOM 626 O OD1 . ASP ABBA 2 28 ? 7.496   -8.971  2.094   1.00 49.93 28 ABBA 1 
ATOM 627 O OD2 . ASP ABBA 2 28 ? 6.521   -9.229  4.042   1.00 51.38 28 ABBA 1 
ATOM 628 N N   . CYS ABBA 2 29 ? 3.554   -6.021  0.859   1.00 57.96 29 ABBA 1 
ATOM 629 C CA  . CYS ABBA 2 29 ? 2.276   -5.558  0.334   1.00 57.52 29 ABBA 1 
ATOM 630 C C   . CYS ABBA 2 29 ? 2.434   -5.156  -1.130  1.00 56.76 29 ABBA 1 
ATOM 631 O O   . CYS ABBA 2 29 ? 1.585   -5.466  -1.964  1.00 54.58 29 ABBA 1 
ATOM 632 C CB  . CYS ABBA 2 29 ? 1.751   -4.375  1.149   1.00 56.32 29 ABBA 1 
ATOM 633 S SG  . CYS ABBA 2 29 ? 0.085   -3.864  0.683   1.00 51.48 29 ABBA 1 
ATOM 634 N N   . PHE ABBA 2 30 ? 3.527   -4.474  -1.432  1.00 56.50 30 ABBA 1 
ATOM 635 C CA  . PHE ABBA 2 30 ? 3.816   -4.057  -2.801  1.00 56.07 30 ABBA 1 
ATOM 636 C C   . PHE ABBA 2 30 ? 3.836   -5.265  -3.732  1.00 55.64 30 ABBA 1 
ATOM 637 O O   . PHE ABBA 2 30 ? 3.251   -5.238  -4.817  1.00 54.84 30 ABBA 1 
ATOM 638 C CB  . PHE ABBA 2 30 ? 5.166   -3.336  -2.860  1.00 54.90 30 ABBA 1 
ATOM 639 C CG  . PHE ABBA 2 30 ? 5.672   -3.131  -4.261  1.00 52.23 30 ABBA 1 
ATOM 640 C CD1 . PHE ABBA 2 30 ? 5.112   -2.165  -5.085  1.00 48.22 30 ABBA 1 
ATOM 641 C CD2 . PHE ABBA 2 30 ? 6.710   -3.916  -4.761  1.00 48.02 30 ABBA 1 
ATOM 642 C CE1 . PHE ABBA 2 30 ? 5.577   -1.983  -6.381  1.00 44.84 30 ABBA 1 
ATOM 643 C CE2 . PHE ABBA 2 30 ? 7.178   -3.735  -6.058  1.00 44.68 30 ABBA 1 
ATOM 644 C CZ  . PHE ABBA 2 30 ? 6.609   -2.766  -6.866  1.00 45.71 30 ABBA 1 
ATOM 645 N N   . ARG ABBA 2 31 ? 4.504   -6.308  -3.315  1.00 58.24 31 ABBA 1 
ATOM 646 C CA  . ARG ABBA 2 31 ? 4.588   -7.527  -4.114  1.00 58.76 31 ABBA 1 
ATOM 647 C C   . ARG ABBA 2 31 ? 3.216   -8.175  -4.260  1.00 58.81 31 ABBA 1 
ATOM 648 O O   . ARG ABBA 2 31 ? 2.884   -8.699  -5.327  1.00 57.40 31 ABBA 1 
ATOM 649 C CB  . ARG ABBA 2 31 ? 5.567   -8.512  -3.472  1.00 57.99 31 ABBA 1 
ATOM 650 C CG  . ARG ABBA 2 31 ? 7.008   -8.023  -3.483  1.00 52.56 31 ABBA 1 
ATOM 651 C CD  . ARG ABBA 2 31 ? 7.947   -9.056  -2.895  1.00 51.30 31 ABBA 1 
ATOM 652 N NE  . ARG ABBA 2 31 ? 9.339   -8.598  -2.903  1.00 48.89 31 ABBA 1 
ATOM 653 C CZ  . ARG ABBA 2 31 ? 10.125  -8.596  -3.972  1.00 45.33 31 ABBA 1 
ATOM 654 N NH1 . ARG ABBA 2 31 ? 9.668   -9.025  -5.133  1.00 41.49 31 ABBA 1 
ATOM 655 N NH2 . ARG ABBA 2 31 ? 11.373  -8.158  -3.879  1.00 41.14 31 ABBA 1 
ATOM 656 N N   . CYS ABBA 2 32 ? 2.438   -8.131  -3.212  1.00 58.02 32 ABBA 1 
ATOM 657 C CA  . CYS ABBA 2 32 ? 1.094   -8.696  -3.236  1.00 57.82 32 ABBA 1 
ATOM 658 C C   . CYS ABBA 2 32 ? 0.236   -7.958  -4.263  1.00 56.77 32 ABBA 1 
ATOM 659 O O   . CYS ABBA 2 32 ? -0.489  -8.580  -5.041  1.00 54.82 32 ABBA 1 
ATOM 660 C CB  . CYS ABBA 2 32 ? 0.455   -8.610  -1.849  1.00 57.08 32 ABBA 1 
ATOM 661 S SG  . CYS ABBA 2 32 ? -1.082  -9.563  -1.643  1.00 52.17 32 ABBA 1 
ATOM 662 N N   . PHE ABBA 2 33 ? 0.332   -6.637  -4.260  1.00 55.84 33 ABBA 1 
ATOM 663 C CA  . PHE ABBA 2 33 ? -0.428  -5.815  -5.198  1.00 55.09 33 ABBA 1 
ATOM 664 C C   . PHE ABBA 2 33 ? -0.018  -6.100  -6.639  1.00 53.68 33 ABBA 1 
ATOM 665 O O   . PHE ABBA 2 33 ? -0.861  -6.147  -7.537  1.00 52.47 33 ABBA 1 
ATOM 666 C CB  . PHE ABBA 2 33 ? -0.209  -4.327  -4.912  1.00 53.57 33 ABBA 1 
ATOM 667 C CG  . PHE ABBA 2 33 ? -1.153  -3.759  -3.889  1.00 51.57 33 ABBA 1 
ATOM 668 C CD1 . PHE ABBA 2 33 ? -0.935  -3.940  -2.534  1.00 47.59 33 ABBA 1 
ATOM 669 C CD2 . PHE ABBA 2 33 ? -2.258  -3.023  -4.299  1.00 47.41 33 ABBA 1 
ATOM 670 C CE1 . PHE ABBA 2 33 ? -1.806  -3.402  -1.600  1.00 44.64 33 ABBA 1 
ATOM 671 C CE2 . PHE ABBA 2 33 ? -3.130  -2.479  -3.368  1.00 44.29 33 ABBA 1 
ATOM 672 C CZ  . PHE ABBA 2 33 ? -2.902  -2.669  -2.016  1.00 44.87 33 ABBA 1 
ATOM 673 N N   . ARG ABBA 2 34 ? 1.253   -6.256  -6.849  1.00 56.24 34 ABBA 1 
ATOM 674 C CA  . ARG ABBA 2 34 ? 1.782   -6.501  -8.189  1.00 56.18 34 ABBA 1 
ATOM 675 C C   . ARG ABBA 2 34 ? 1.358   -7.859  -8.742  1.00 56.08 34 ABBA 1 
ATOM 676 O O   . ARG ABBA 2 34 ? 1.014   -7.971  -9.917  1.00 54.43 34 ABBA 1 
ATOM 677 C CB  . ARG ABBA 2 34 ? 3.311   -6.413  -8.175  1.00 55.21 34 ABBA 1 
ATOM 678 C CG  . ARG ABBA 2 34 ? 3.939   -6.531  -9.557  1.00 50.38 34 ABBA 1 
ATOM 679 C CD  . ARG ABBA 2 34 ? 5.452   -6.616  -9.452  1.00 47.61 34 ABBA 1 
ATOM 680 N NE  . ARG ABBA 2 34 ? 5.872   -7.838  -8.766  1.00 45.09 34 ABBA 1 
ATOM 681 C CZ  . ARG ABBA 2 34 ? 7.121   -8.120  -8.431  1.00 41.63 34 ABBA 1 
ATOM 682 N NH1 . ARG ABBA 2 34 ? 8.096   -7.272  -8.714  1.00 38.58 34 ABBA 1 
ATOM 683 N NH2 . ARG ABBA 2 34 ? 7.402   -9.254  -7.807  1.00 39.00 34 ABBA 1 
ATOM 684 N N   . ASP ABBA 2 35 ? 1.389   -8.866  -7.902  1.00 56.82 35 ABBA 1 
ATOM 685 C CA  . ASP ABBA 2 35 ? 1.084   -10.225 -8.342  1.00 57.71 35 ABBA 1 
ATOM 686 C C   . ASP ABBA 2 35 ? -0.399  -10.582 -8.302  1.00 58.48 35 ABBA 1 
ATOM 687 O O   . ASP ABBA 2 35 ? -0.842  -11.457 -9.051  1.00 56.71 35 ABBA 1 
ATOM 688 C CB  . ASP ABBA 2 35 ? 1.879   -11.228 -7.501  1.00 55.96 35 ABBA 1 
ATOM 689 C CG  . ASP ABBA 2 35 ? 3.382   -11.035 -7.631  1.00 50.80 35 ABBA 1 
ATOM 690 O OD1 . ASP ABBA 2 35 ? 3.830   -10.457 -8.646  1.00 48.83 35 ABBA 1 
ATOM 691 O OD2 . ASP ABBA 2 35 ? 4.112   -11.473 -6.721  1.00 49.17 35 ABBA 1 
ATOM 692 N N   . CYS ABBA 2 36 ? -1.151  -9.924  -7.442  1.00 57.28 36 ABBA 1 
ATOM 693 C CA  . CYS ABBA 2 36 ? -2.575  -10.204 -7.316  1.00 56.25 36 ABBA 1 
ATOM 694 C C   . CYS ABBA 2 36 ? -3.418  -8.973  -7.647  1.00 54.83 36 ABBA 1 
ATOM 695 O O   . CYS ABBA 2 36 ? -2.895  -7.940  -8.050  1.00 52.22 36 ABBA 1 
ATOM 696 C CB  . CYS ABBA 2 36 ? -2.888  -10.683 -5.897  1.00 53.96 36 ABBA 1 
ATOM 697 S SG  . CYS ABBA 2 36 ? -2.178  -12.299 -5.499  1.00 48.82 36 ABBA 1 
ATOM 698 N N   . ARG ABBA 2 37 ? -4.713  -9.091  -7.481  1.00 54.90 37 ABBA 1 
ATOM 699 C CA  . ARG ABBA 2 37 ? -5.611  -7.975  -7.735  1.00 56.16 37 ABBA 1 
ATOM 700 C C   . ARG ABBA 2 37 ? -5.324  -6.882  -6.712  1.00 56.54 37 ABBA 1 
ATOM 701 O O   . ARG ABBA 2 37 ? -5.522  -7.082  -5.515  1.00 55.60 37 ABBA 1 
ATOM 702 C CB  . ARG ABBA 2 37 ? -7.068  -8.426  -7.634  1.00 54.71 37 ABBA 1 
ATOM 703 C CG  . ARG ABBA 2 37 ? -7.468  -9.424  -8.718  1.00 48.50 37 ABBA 1 
ATOM 704 C CD  . ARG ABBA 2 37 ? -8.931  -9.803  -8.605  1.00 46.60 37 ABBA 1 
ATOM 705 N NE  . ARG ABBA 2 37 ? -9.342  -10.716 -9.666  1.00 43.33 37 ABBA 1 
ATOM 706 C CZ  . ARG ABBA 2 37 ? -10.561 -11.225 -9.794  1.00 40.35 37 ABBA 1 
ATOM 707 N NH1 . ARG ABBA 2 37 ? -11.507 -10.922 -8.921  1.00 37.14 37 ABBA 1 
ATOM 708 N NH2 . ARG ABBA 2 37 ? -10.835 -12.040 -10.794 1.00 37.39 37 ABBA 1 
ATOM 709 N N   . PHE ABBA 2 38 ? -4.880  -5.743  -7.197  1.00 51.92 38 ABBA 1 
ATOM 710 C CA  . PHE ABBA 2 38 ? -4.511  -4.654  -6.299  1.00 52.61 38 ABBA 1 
ATOM 711 C C   . PHE ABBA 2 38 ? -5.675  -4.197  -5.424  1.00 53.29 38 ABBA 1 
ATOM 712 O O   . PHE ABBA 2 38 ? -5.468  -3.777  -4.290  1.00 51.67 38 ABBA 1 
ATOM 713 C CB  . PHE ABBA 2 38 ? -3.933  -3.470  -7.089  1.00 50.62 38 ABBA 1 
ATOM 714 C CG  . PHE ABBA 2 38 ? -4.965  -2.551  -7.681  1.00 47.56 38 ABBA 1 
ATOM 715 C CD1 . PHE ABBA 2 38 ? -5.530  -1.533  -6.915  1.00 44.00 38 ABBA 1 
ATOM 716 C CD2 . PHE ABBA 2 38 ? -5.358  -2.681  -9.006  1.00 45.59 38 ABBA 1 
ATOM 717 C CE1 . PHE ABBA 2 38 ? -6.473  -0.671  -7.457  1.00 41.80 38 ABBA 1 
ATOM 718 C CE2 . PHE ABBA 2 38 ? -6.301  -1.826  -9.555  1.00 42.37 38 ABBA 1 
ATOM 719 C CZ  . PHE ABBA 2 38 ? -6.861  -0.822  -8.777  1.00 42.52 38 ABBA 1 
ATOM 720 N N   . ARG ABBA 2 39 ? -6.883  -4.257  -5.958  1.00 54.44 39 ABBA 1 
ATOM 721 C CA  . ARG ABBA 2 39 ? -8.063  -3.834  -5.205  1.00 54.37 39 ABBA 1 
ATOM 722 C C   . ARG ABBA 2 39 ? -8.239  -4.668  -3.940  1.00 54.66 39 ABBA 1 
ATOM 723 O O   . ARG ABBA 2 39 ? -8.486  -4.130  -2.862  1.00 52.36 39 ABBA 1 
ATOM 724 C CB  . ARG ABBA 2 39 ? -9.318  -3.938  -6.077  1.00 52.68 39 ABBA 1 
ATOM 725 C CG  . ARG ABBA 2 39 ? -10.570 -3.408  -5.398  1.00 47.37 39 ABBA 1 
ATOM 726 C CD  . ARG ABBA 2 39 ? -11.790 -3.579  -6.290  1.00 44.85 39 ABBA 1 
ATOM 727 N NE  . ARG ABBA 2 39 ? -11.660 -2.846  -7.550  1.00 41.15 39 ABBA 1 
ATOM 728 C CZ  . ARG ABBA 2 39 ? -12.525 -2.919  -8.553  1.00 38.92 39 ABBA 1 
ATOM 729 N NH1 . ARG ABBA 2 39 ? -13.596 -3.689  -8.452  1.00 35.44 39 ABBA 1 
ATOM 730 N NH2 . ARG ABBA 2 39 ? -12.317 -2.224  -9.659  1.00 35.25 39 ABBA 1 
ATOM 731 N N   . ASP ABBA 2 40 ? -8.119  -5.970  -4.091  1.00 55.31 40 ABBA 1 
ATOM 732 C CA  . ASP ABBA 2 40 ? -8.277  -6.866  -2.947  1.00 57.13 40 ABBA 1 
ATOM 733 C C   . ASP ABBA 2 40 ? -7.108  -6.740  -1.979  1.00 58.62 40 ABBA 1 
ATOM 734 O O   . ASP ABBA 2 40 ? -7.301  -6.694  -0.765  1.00 57.56 40 ABBA 1 
ATOM 735 C CB  . ASP ABBA 2 40 ? -8.407  -8.315  -3.423  1.00 55.34 40 ABBA 1 
ATOM 736 C CG  . ASP ABBA 2 40 ? -9.666  -8.543  -4.242  1.00 51.32 40 ABBA 1 
ATOM 737 O OD1 . ASP ABBA 2 40 ? -10.678 -7.854  -3.990  1.00 49.03 40 ABBA 1 
ATOM 738 O OD2 . ASP ABBA 2 40 ? -9.641  -9.417  -5.127  1.00 49.81 40 ABBA 1 
ATOM 739 N N   . CYS ABBA 2 41 ? -5.912  -6.688  -2.516  1.00 56.73 41 ABBA 1 
ATOM 740 C CA  . CYS ABBA 2 41 ? -4.726  -6.566  -1.675  1.00 57.10 41 ABBA 1 
ATOM 741 C C   . CYS ABBA 2 41 ? -4.737  -5.237  -0.925  1.00 56.34 41 ABBA 1 
ATOM 742 O O   . CYS ABBA 2 41 ? -4.376  -5.179  0.249   1.00 54.77 41 ABBA 1 
ATOM 743 C CB  . CYS ABBA 2 41 ? -3.453  -6.685  -2.513  1.00 56.60 41 ABBA 1 
ATOM 744 S SG  . CYS ABBA 2 41 ? -1.939  -6.776  -1.527  1.00 50.83 41 ABBA 1 
ATOM 745 N N   . PHE ABBA 2 42 ? -5.166  -4.186  -1.603  1.00 53.78 42 ABBA 1 
ATOM 746 C CA  . PHE ABBA 2 42 ? -5.229  -2.871  -0.973  1.00 53.40 42 ABBA 1 
ATOM 747 C C   . PHE ABBA 2 42 ? -6.184  -2.888  0.213   1.00 52.70 42 ABBA 1 
ATOM 748 O O   . PHE ABBA 2 42 ? -5.891  -2.319  1.264   1.00 51.40 42 ABBA 1 
ATOM 749 C CB  . PHE ABBA 2 42 ? -5.682  -1.800  -1.967  1.00 51.86 42 ABBA 1 
ATOM 750 C CG  . PHE ABBA 2 42 ? -5.760  -0.429  -1.357  1.00 49.65 42 ABBA 1 
ATOM 751 C CD1 . PHE ABBA 2 42 ? -4.610  0.330   -1.167  1.00 46.15 42 ABBA 1 
ATOM 752 C CD2 . PHE ABBA 2 42 ? -6.977  0.092   -0.940  1.00 46.58 42 ABBA 1 
ATOM 753 C CE1 . PHE ABBA 2 42 ? -4.676  1.583   -0.580  1.00 43.21 42 ABBA 1 
ATOM 754 C CE2 . PHE ABBA 2 42 ? -7.049  1.348   -0.348  1.00 43.34 42 ABBA 1 
ATOM 755 C CZ  . PHE ABBA 2 42 ? -5.894  2.090   -0.169  1.00 43.78 42 ABBA 1 
ATOM 756 N N   . ARG ABBA 2 43 ? -7.309  -3.528  0.033   1.00 54.86 43 ABBA 1 
ATOM 757 C CA  . ARG ABBA 2 43 ? -8.296  -3.633  1.103   1.00 55.37 43 ABBA 1 
ATOM 758 C C   . ARG ABBA 2 43 ? -7.683  -4.320  2.320   1.00 55.42 43 ABBA 1 
ATOM 759 O O   . ARG ABBA 2 43 ? -7.998  -3.982  3.459   1.00 53.53 43 ABBA 1 
ATOM 760 C CB  . ARG ABBA 2 43 ? -9.524  -4.413  0.627   1.00 54.90 43 ABBA 1 
ATOM 761 C CG  . ARG ABBA 2 43 ? -10.630 -4.493  1.666   1.00 49.79 43 ABBA 1 
ATOM 762 C CD  . ARG ABBA 2 43 ? -11.812 -5.291  1.138   1.00 47.13 43 ABBA 1 
ATOM 763 N NE  . ARG ABBA 2 43 ? -11.445 -6.677  0.848   1.00 44.80 43 ABBA 1 
ATOM 764 C CZ  . ARG ABBA 2 43 ? -12.238 -7.559  0.258   1.00 41.07 43 ABBA 1 
ATOM 765 N NH1 . ARG ABBA 2 43 ? -13.460 -7.211  -0.110  1.00 37.97 43 ABBA 1 
ATOM 766 N NH2 . ARG ABBA 2 43 ? -11.809 -8.786  0.032   1.00 37.77 43 ABBA 1 
ATOM 767 N N   . ASP ABBA 2 44 ? -6.820  -5.276  2.064   1.00 53.93 44 ABBA 1 
ATOM 768 C CA  . ASP ABBA 2 44 ? -6.160  -5.998  3.147   1.00 54.96 44 ABBA 1 
ATOM 769 C C   . ASP ABBA 2 44 ? -4.962  -5.228  3.700   1.00 55.99 44 ABBA 1 
ATOM 770 O O   . ASP ABBA 2 44 ? -4.559  -5.437  4.844   1.00 54.12 44 ABBA 1 
ATOM 771 C CB  . ASP ABBA 2 44 ? -5.700  -7.375  2.661   1.00 52.44 44 ABBA 1 
ATOM 772 C CG  . ASP ABBA 2 44 ? -6.863  -8.285  2.301   1.00 47.80 44 ABBA 1 
ATOM 773 O OD1 . ASP ABBA 2 44 ? -7.953  -8.137  2.898   1.00 44.97 44 ABBA 1 
ATOM 774 O OD2 . ASP ABBA 2 44 ? -6.680  -9.156  1.431   1.00 45.18 44 ABBA 1 
ATOM 775 N N   . CYS ABBA 2 45 ? -4.403  -4.373  2.873   1.00 55.06 45 ABBA 1 
ATOM 776 C CA  . CYS ABBA 2 45 ? -3.226  -3.603  3.271   1.00 54.88 45 ABBA 1 
ATOM 777 C C   . CYS ABBA 2 45 ? -3.575  -2.277  3.947   1.00 53.03 45 ABBA 1 
ATOM 778 O O   . CYS ABBA 2 45 ? -2.777  -1.739  4.719   1.00 51.48 45 ABBA 1 
ATOM 779 C CB  . CYS ABBA 2 45 ? -2.340  -3.338  2.049   1.00 54.29 45 ABBA 1 
ATOM 780 S SG  . CYS ABBA 2 45 ? -0.720  -2.640  2.437   1.00 50.51 45 ABBA 1 
ATOM 781 N N   . PHE ABBA 2 46 ? -4.765  -1.740  3.657   1.00 51.84 46 ABBA 1 
ATOM 782 C CA  . PHE ABBA 2 46 ? -5.179  -0.457  4.222   1.00 50.28 46 ABBA 1 
ATOM 783 C C   . PHE ABBA 2 46 ? -6.582  -0.538  4.812   1.00 46.53 46 ABBA 1 
ATOM 784 O O   . PHE ABBA 2 46 ? -6.820  0.073   5.869   1.00 42.64 46 ABBA 1 
ATOM 785 C CB  . PHE ABBA 2 46 ? -5.138  0.641   3.151   1.00 48.12 46 ABBA 1 
ATOM 786 C CG  . PHE ABBA 2 46 ? -3.754  0.966   2.661   1.00 46.38 46 ABBA 1 
ATOM 787 C CD1 . PHE ABBA 2 46 ? -3.167  0.247   1.629   1.00 44.16 46 ABBA 1 
ATOM 788 C CD2 . PHE ABBA 2 46 ? -3.032  1.994   3.253   1.00 42.55 46 ABBA 1 
ATOM 789 C CE1 . PHE ABBA 2 46 ? -1.891  0.546   1.190   1.00 42.85 46 ABBA 1 
ATOM 790 C CE2 . PHE ABBA 2 46 ? -1.752  2.303   2.818   1.00 43.96 46 ABBA 1 
ATOM 791 C CZ  . PHE ABBA 2 46 ? -1.181  1.577   1.786   1.00 41.81 46 ABBA 1 
ATOM 792 O OXT . PHE ABBA 2 46 ? -7.441  -1.227  4.227   1.00 44.89 46 ABBA 1 
#
