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data_102M
#
_entry.id 102M
#
_audit_conform.dict_name mmcif_pdbx.dic
_audit_conform.dict_version 5.389
_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 102M pdb_0000102m 10.2210/pdb102m/pdb
WWPDB D_1000170006 ? ?
#
loop_
_pdbx_audit_revision_history.ordinal
_pdbx_audit_revision_history.data_content_type
_pdbx_audit_revision_history.major_revision
_pdbx_audit_revision_history.minor_revision
_pdbx_audit_revision_history.revision_date
1 'Structure model' 1 0 1998-04-08
2 'Structure model' 1 1 2008-03-24
3 'Structure model' 1 2 2011-07-13
4 'Structure model' 1 3 2018-03-07
5 'Structure model' 1 4 2021-11-03
6 'Structure model' 1 5 2024-02-07
7 'Structure model' 1 6 2024-04-03
#
_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_audit_revision_group.ordinal
_pdbx_audit_revision_group.revision_ordinal
_pdbx_audit_revision_group.data_content_type
_pdbx_audit_revision_group.group
1 2 'Structure model' 'Version format compliance'
2 3 'Structure model' 'Version format compliance'
3 4 'Structure model' 'Data collection'
4 4 'Structure model' Other
5 5 'Structure model' 'Database references'
6 5 'Structure model' 'Derived calculations'
7 6 'Structure model' 'Data collection'
8 7 'Structure model' 'Refinement description'
#
loop_
_pdbx_audit_revision_category.ordinal
_pdbx_audit_revision_category.revision_ordinal
_pdbx_audit_revision_category.data_content_type
_pdbx_audit_revision_category.category
1 4 'Structure model' diffrn_source
2 4 'Structure model' pdbx_database_status
3 5 'Structure model' database_2
4 5 'Structure model' struct_conn
5 5 'Structure model' struct_ref_seq_dif
6 5 'Structure model' struct_site
7 6 'Structure model' chem_comp_atom
8 6 'Structure model' chem_comp_bond
9 7 'Structure model' pdbx_initial_refinement_model
#
loop_
_pdbx_audit_revision_item.ordinal
_pdbx_audit_revision_item.revision_ordinal
_pdbx_audit_revision_item.data_content_type
_pdbx_audit_revision_item.item
1 4 'Structure model' '_diffrn_source.source'
2 4 'Structure model' '_pdbx_database_status.process_site'
3 5 'Structure model' '_database_2.pdbx_DOI'
4 5 'Structure model' '_database_2.pdbx_database_accession'
5 5 'Structure model' '_struct_conn.ptnr1_auth_comp_id'
6 5 'Structure model' '_struct_conn.ptnr1_auth_seq_id'
7 5 'Structure model' '_struct_conn.ptnr1_label_asym_id'
8 5 'Structure model' '_struct_conn.ptnr1_label_atom_id'
9 5 'Structure model' '_struct_conn.ptnr1_label_comp_id'
10 5 'Structure model' '_struct_conn.ptnr1_label_seq_id'
11 5 'Structure model' '_struct_conn.ptnr2_auth_comp_id'
12 5 'Structure model' '_struct_conn.ptnr2_auth_seq_id'
13 5 'Structure model' '_struct_conn.ptnr2_label_asym_id'
14 5 'Structure model' '_struct_conn.ptnr2_label_atom_id'
15 5 'Structure model' '_struct_conn.ptnr2_label_comp_id'
16 5 'Structure model' '_struct_conn.ptnr2_label_seq_id'
17 5 'Structure model' '_struct_ref_seq_dif.details'
18 5 'Structure model' '_struct_site.pdbx_auth_asym_id'
19 5 'Structure model' '_struct_site.pdbx_auth_comp_id'
20 5 'Structure model' '_struct_site.pdbx_auth_seq_id'
#
_pdbx_database_status.status_code REL
_pdbx_database_status.entry_id 102M
_pdbx_database_status.recvd_initial_deposition_date 1997-12-15
_pdbx_database_status.deposit_site ?
_pdbx_database_status.process_site BNL
_pdbx_database_status.status_code_sf REL
_pdbx_database_status.status_code_mr ?
_pdbx_database_status.SG_entry ?
_pdbx_database_status.pdb_format_compatible Y
_pdbx_database_status.status_code_cs ?
_pdbx_database_status.methods_development_category ?
_pdbx_database_status.status_code_nmr_data ?
#
loop_
_audit_author.name
_audit_author.pdbx_ordinal
'Smith, R.D.' 1
'Olson, J.S.' 2
'Phillips Jr., G.N.' 3
#
_citation.id primary
_citation.title
'Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins'
_citation.journal_abbrev 'Thesis, Rice'
_citation.journal_volume ?
_citation.page_first ?
_citation.page_last ?
_citation.year 1999
_citation.journal_id_ASTM ?
_citation.country US
_citation.journal_id_ISSN ?
_citation.journal_id_CSD 0806
_citation.book_publisher ?
_citation.pdbx_database_id_PubMed -1
_citation.pdbx_database_id_DOI ?
#
_citation_author.citation_id primary
_citation_author.name 'Smith, R.D.'
_citation_author.ordinal 1
_citation_author.identifier_ORCID ?
#
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 MYOGLOBIN 17298.094 1 ? 'INS(M0), H64A, D122N' ? ?
2 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ?
3 non-polymer syn 'PROTOPORPHYRIN IX CONTAINING FE' 616.487 1 ? ? ? ?
4 water nat water 18.015 155 ? ? ? ?
#
_entity_poly.entity_id 1
_entity_poly.type 'polypeptide(L)'
_entity_poly.nstd_linkage no
_entity_poly.nstd_monomer no
_entity_poly.pdbx_seq_one_letter_code
;MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKAGVTVLTALGAILKKK
GHHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKELGYQG
;
_entity_poly.pdbx_seq_one_letter_code_can
;MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKAGVTVLTALGAILKKK
GHHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKELGYQG
;
_entity_poly.pdbx_strand_id A
_entity_poly.pdbx_target_identifier ?
#
loop_
_pdbx_entity_nonpoly.entity_id
_pdbx_entity_nonpoly.name
_pdbx_entity_nonpoly.comp_id
2 'SULFATE ION' SO4
3 'PROTOPORPHYRIN IX CONTAINING FE' HEM
4 water HOH
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 MET n
1 2 VAL n
1 3 LEU n
1 4 SER n
1 5 GLU n
1 6 GLY n
1 7 GLU n
1 8 TRP n
1 9 GLN n
1 10 LEU n
1 11 VAL n
1 12 LEU n
1 13 HIS n
1 14 VAL n
1 15 TRP n
1 16 ALA n
1 17 LYS n
1 18 VAL n
1 19 GLU n
1 20 ALA n
1 21 ASP n
1 22 VAL n
1 23 ALA n
1 24 GLY n
1 25 HIS n
1 26 GLY n
1 27 GLN n
1 28 ASP n
1 29 ILE n
1 30 LEU n
1 31 ILE n
1 32 ARG n
1 33 LEU n
1 34 PHE n
1 35 LYS n
1 36 SER n
1 37 HIS n
1 38 PRO n
1 39 GLU n
1 40 THR n
1 41 LEU n
1 42 GLU n
1 43 LYS n
1 44 PHE n
1 45 ASP n
1 46 ARG n
1 47 PHE n
1 48 LYS n
1 49 HIS n
1 50 LEU n
1 51 LYS n
1 52 THR n
1 53 GLU n
1 54 ALA n
1 55 GLU n
1 56 MET n
1 57 LYS n
1 58 ALA n
1 59 SER n
1 60 GLU n
1 61 ASP n
1 62 LEU n
1 63 LYS n
1 64 LYS n
1 65 ALA n
1 66 GLY n
1 67 VAL n
1 68 THR n
1 69 VAL n
1 70 LEU n
1 71 THR n
1 72 ALA n
1 73 LEU n
1 74 GLY n
1 75 ALA n
1 76 ILE n
1 77 LEU n
1 78 LYS n
1 79 LYS n
1 80 LYS n
1 81 GLY n
1 82 HIS n
1 83 HIS n
1 84 GLU n
1 85 ALA n
1 86 GLU n
1 87 LEU n
1 88 LYS n
1 89 PRO n
1 90 LEU n
1 91 ALA n
1 92 GLN n
1 93 SER n
1 94 HIS n
1 95 ALA n
1 96 THR n
1 97 LYS n
1 98 HIS n
1 99 LYS n
1 100 ILE n
1 101 PRO n
1 102 ILE n
1 103 LYS n
1 104 TYR n
1 105 LEU n
1 106 GLU n
1 107 PHE n
1 108 ILE n
1 109 SER n
1 110 GLU n
1 111 ALA n
1 112 ILE n
1 113 ILE n
1 114 HIS n
1 115 VAL n
1 116 LEU n
1 117 HIS n
1 118 SER n
1 119 ARG n
1 120 HIS n
1 121 PRO n
1 122 GLY n
1 123 ASN n
1 124 PHE n
1 125 GLY n
1 126 ALA n
1 127 ASP n
1 128 ALA n
1 129 GLN n
1 130 GLY n
1 131 ALA n
1 132 MET n
1 133 ASN n
1 134 LYS n
1 135 ALA n
1 136 LEU n
1 137 GLU n
1 138 LEU n
1 139 PHE n
1 140 ARG n
1 141 LYS n
1 142 ASP n
1 143 ILE n
1 144 ALA n
1 145 ALA n
1 146 LYS n
1 147 TYR n
1 148 LYS n
1 149 GLU n
1 150 LEU n
1 151 GLY n
1 152 TYR n
1 153 GLN n
1 154 GLY n
#
_entity_src_gen.entity_id 1
_entity_src_gen.pdbx_src_id 1
_entity_src_gen.pdbx_alt_source_flag sample
_entity_src_gen.pdbx_seq_type ?
_entity_src_gen.pdbx_beg_seq_num ?
_entity_src_gen.pdbx_end_seq_num ?
_entity_src_gen.gene_src_common_name 'sperm whale'
_entity_src_gen.gene_src_genus Physeter
_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 'SKELETAL MUSCLE'
_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 'Physeter catodon'
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9755
_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 SKELETAL
_entity_src_gen.pdbx_gene_src_organelle ?
_entity_src_gen.pdbx_gene_src_cell ?
_entity_src_gen.pdbx_gene_src_cellular_location CYTOPLASM
_entity_src_gen.host_org_common_name ?
_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli'
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562
_entity_src_gen.host_org_genus Escherichia
_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 'PHAGE RESISTANT TB1'
_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 PLASMID
_entity_src_gen.pdbx_host_org_vector ?
_entity_src_gen.host_org_details ?
_entity_src_gen.expression_system_id ?
_entity_src_gen.plasmid_name 'PEMBL 19+'
_entity_src_gen.plasmid_details ?
_entity_src_gen.pdbx_description ?
#
loop_
_chem_comp.id
_chem_comp.type
_chem_comp.mon_nstd_flag
_chem_comp.name
_chem_comp.pdbx_synonyms
_chem_comp.formula
_chem_comp.formula_weight
ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093
ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209
ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103
GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129
GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067
HEM non-polymer . 'PROTOPORPHYRIN IX CONTAINING FE' HEME 'C34 H32 Fe N4 O4' 616.487
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
PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189
PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130
SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093
SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063
THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119
TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225
TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189
VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146
#
loop_
_pdbx_poly_seq_scheme.asym_id
_pdbx_poly_seq_scheme.entity_id
_pdbx_poly_seq_scheme.seq_id
_pdbx_poly_seq_scheme.mon_id
_pdbx_poly_seq_scheme.ndb_seq_num
_pdbx_poly_seq_scheme.pdb_seq_num
_pdbx_poly_seq_scheme.auth_seq_num
_pdbx_poly_seq_scheme.pdb_mon_id
_pdbx_poly_seq_scheme.auth_mon_id
_pdbx_poly_seq_scheme.pdb_strand_id
_pdbx_poly_seq_scheme.pdb_ins_code
_pdbx_poly_seq_scheme.hetero
A 1 1 MET 1 0 0 MET MET A . n
A 1 2 VAL 2 1 1 VAL VAL A . n
A 1 3 LEU 3 2 2 LEU LEU A . n
A 1 4 SER 4 3 3 SER SER A . n
A 1 5 GLU 5 4 4 GLU GLU A . n
A 1 6 GLY 6 5 5 GLY GLY A . n
A 1 7 GLU 7 6 6 GLU GLU A . n
A 1 8 TRP 8 7 7 TRP TRP A . n
A 1 9 GLN 9 8 8 GLN GLN A . n
A 1 10 LEU 10 9 9 LEU LEU A . n
A 1 11 VAL 11 10 10 VAL VAL A . n
A 1 12 LEU 12 11 11 LEU LEU A . n
A 1 13 HIS 13 12 12 HIS HIS A . n
A 1 14 VAL 14 13 13 VAL VAL A . n
A 1 15 TRP 15 14 14 TRP TRP A . n
A 1 16 ALA 16 15 15 ALA ALA A . n
A 1 17 LYS 17 16 16 LYS LYS A . n
A 1 18 VAL 18 17 17 VAL VAL A . n
A 1 19 GLU 19 18 18 GLU GLU A . n
A 1 20 ALA 20 19 19 ALA ALA A . n
A 1 21 ASP 21 20 20 ASP ASP A . n
A 1 22 VAL 22 21 21 VAL VAL A . n
A 1 23 ALA 23 22 22 ALA ALA A . n
A 1 24 GLY 24 23 23 GLY GLY A . n
A 1 25 HIS 25 24 24 HIS HIS A . n
A 1 26 GLY 26 25 25 GLY GLY A . n
A 1 27 GLN 27 26 26 GLN GLN A . n
A 1 28 ASP 28 27 27 ASP ASP A . n
A 1 29 ILE 29 28 28 ILE ILE A . n
A 1 30 LEU 30 29 29 LEU LEU A . n
A 1 31 ILE 31 30 30 ILE ILE A . n
A 1 32 ARG 32 31 31 ARG ARG A . n
A 1 33 LEU 33 32 32 LEU LEU A . n
A 1 34 PHE 34 33 33 PHE PHE A . n
A 1 35 LYS 35 34 34 LYS LYS A . n
A 1 36 SER 36 35 35 SER SER A . n
A 1 37 HIS 37 36 36 HIS HIS A . n
A 1 38 PRO 38 37 37 PRO PRO A . n
A 1 39 GLU 39 38 38 GLU GLU A . n
A 1 40 THR 40 39 39 THR THR A . n
A 1 41 LEU 41 40 40 LEU LEU A . n
A 1 42 GLU 42 41 41 GLU GLU A . n
A 1 43 LYS 43 42 42 LYS LYS A . n
A 1 44 PHE 44 43 43 PHE PHE A . n
A 1 45 ASP 45 44 44 ASP ASP A . n
A 1 46 ARG 46 45 45 ARG ARG A . n
A 1 47 PHE 47 46 46 PHE PHE A . n
A 1 48 LYS 48 47 47 LYS LYS A . n
A 1 49 HIS 49 48 48 HIS HIS A . n
A 1 50 LEU 50 49 49 LEU LEU A . n
A 1 51 LYS 51 50 50 LYS LYS A . n
A 1 52 THR 52 51 51 THR THR A . n
A 1 53 GLU 53 52 52 GLU GLU A . n
A 1 54 ALA 54 53 53 ALA ALA A . n
A 1 55 GLU 55 54 54 GLU GLU A . n
A 1 56 MET 56 55 55 MET MET A . n
A 1 57 LYS 57 56 56 LYS LYS A . n
A 1 58 ALA 58 57 57 ALA ALA A . n
A 1 59 SER 59 58 58 SER SER A . n
A 1 60 GLU 60 59 59 GLU GLU A . n
A 1 61 ASP 61 60 60 ASP ASP A . n
A 1 62 LEU 62 61 61 LEU LEU A . n
A 1 63 LYS 63 62 62 LYS LYS A . n
A 1 64 LYS 64 63 63 LYS LYS A . n
A 1 65 ALA 65 64 64 ALA ALA A . n
A 1 66 GLY 66 65 65 GLY GLY A . n
A 1 67 VAL 67 66 66 VAL VAL A . n
A 1 68 THR 68 67 67 THR THR A . n
A 1 69 VAL 69 68 68 VAL VAL A . n
A 1 70 LEU 70 69 69 LEU LEU A . n
A 1 71 THR 71 70 70 THR THR A . n
A 1 72 ALA 72 71 71 ALA ALA A . n
A 1 73 LEU 73 72 72 LEU LEU A . n
A 1 74 GLY 74 73 73 GLY GLY A . n
A 1 75 ALA 75 74 74 ALA ALA A . n
A 1 76 ILE 76 75 75 ILE ILE A . n
A 1 77 LEU 77 76 76 LEU LEU A . n
A 1 78 LYS 78 77 77 LYS LYS A . n
A 1 79 LYS 79 78 78 LYS LYS A . n
A 1 80 LYS 80 79 79 LYS LYS A . n
A 1 81 GLY 81 80 80 GLY GLY A . n
A 1 82 HIS 82 81 81 HIS HIS A . n
A 1 83 HIS 83 82 82 HIS HIS A . n
A 1 84 GLU 84 83 83 GLU GLU A . n
A 1 85 ALA 85 84 84 ALA ALA A . n
A 1 86 GLU 86 85 85 GLU GLU A . n
A 1 87 LEU 87 86 86 LEU LEU A . n
A 1 88 LYS 88 87 87 LYS LYS A . n
A 1 89 PRO 89 88 88 PRO PRO A . n
A 1 90 LEU 90 89 89 LEU LEU A . n
A 1 91 ALA 91 90 90 ALA ALA A . n
A 1 92 GLN 92 91 91 GLN GLN A . n
A 1 93 SER 93 92 92 SER SER A . n
A 1 94 HIS 94 93 93 HIS HIS A . n
A 1 95 ALA 95 94 94 ALA ALA A . n
A 1 96 THR 96 95 95 THR THR A . n
A 1 97 LYS 97 96 96 LYS LYS A . n
A 1 98 HIS 98 97 97 HIS HIS A . n
A 1 99 LYS 99 98 98 LYS LYS A . n
A 1 100 ILE 100 99 99 ILE ILE A . n
A 1 101 PRO 101 100 100 PRO PRO A . n
A 1 102 ILE 102 101 101 ILE ILE A . n
A 1 103 LYS 103 102 102 LYS LYS A . n
A 1 104 TYR 104 103 103 TYR TYR A . n
A 1 105 LEU 105 104 104 LEU LEU A . n
A 1 106 GLU 106 105 105 GLU GLU A . n
A 1 107 PHE 107 106 106 PHE PHE A . n
A 1 108 ILE 108 107 107 ILE ILE A . n
A 1 109 SER 109 108 108 SER SER A . n
A 1 110 GLU 110 109 109 GLU GLU A . n
A 1 111 ALA 111 110 110 ALA ALA A . n
A 1 112 ILE 112 111 111 ILE ILE A . n
A 1 113 ILE 113 112 112 ILE ILE A . n
A 1 114 HIS 114 113 113 HIS HIS A . n
A 1 115 VAL 115 114 114 VAL VAL A . n
A 1 116 LEU 116 115 115 LEU LEU A . n
A 1 117 HIS 117 116 116 HIS HIS A . n
A 1 118 SER 118 117 117 SER SER A . n
A 1 119 ARG 119 118 118 ARG ARG A . n
A 1 120 HIS 120 119 119 HIS HIS A . n
A 1 121 PRO 121 120 120 PRO PRO A . n
A 1 122 GLY 122 121 121 GLY GLY A . n
A 1 123 ASN 123 122 122 ASN ASN A . n
A 1 124 PHE 124 123 123 PHE PHE A . n
A 1 125 GLY 125 124 124 GLY GLY A . n
A 1 126 ALA 126 125 125 ALA ALA A . n
A 1 127 ASP 127 126 126 ASP ASP A . n
A 1 128 ALA 128 127 127 ALA ALA A . n
A 1 129 GLN 129 128 128 GLN GLN A . n
A 1 130 GLY 130 129 129 GLY GLY A . n
A 1 131 ALA 131 130 130 ALA ALA A . n
A 1 132 MET 132 131 131 MET MET A . n
A 1 133 ASN 133 132 132 ASN ASN A . n
A 1 134 LYS 134 133 133 LYS LYS A . n
A 1 135 ALA 135 134 134 ALA ALA A . n
A 1 136 LEU 136 135 135 LEU LEU A . n
A 1 137 GLU 137 136 136 GLU GLU A . n
A 1 138 LEU 138 137 137 LEU LEU A . n
A 1 139 PHE 139 138 138 PHE PHE A . n
A 1 140 ARG 140 139 139 ARG ARG A . n
A 1 141 LYS 141 140 140 LYS LYS A . n
A 1 142 ASP 142 141 141 ASP ASP A . n
A 1 143 ILE 143 142 142 ILE ILE A . n
A 1 144 ALA 144 143 143 ALA ALA A . n
A 1 145 ALA 145 144 144 ALA ALA A . n
A 1 146 LYS 146 145 145 LYS LYS A . n
A 1 147 TYR 147 146 146 TYR TYR A . n
A 1 148 LYS 148 147 147 LYS LYS A . n
A 1 149 GLU 149 148 148 GLU GLU A . n
A 1 150 LEU 150 149 149 LEU LEU A . n
A 1 151 GLY 151 150 150 GLY GLY A . n
A 1 152 TYR 152 151 151 TYR TYR A . n
A 1 153 GLN 153 152 152 GLN GLN A . n
A 1 154 GLY 154 153 153 GLY GLY A . 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
B 2 SO4 1 157 157 SO4 SO4 A .
C 3 HEM 1 155 155 HEM HEM A .
D 4 HOH 1 156 156 HOH HOH A .
D 4 HOH 2 201 201 HOH HOH A .
D 4 HOH 3 202 202 HOH HOH A .
D 4 HOH 4 203 203 HOH HOH A .
D 4 HOH 5 204 204 HOH HOH A .
D 4 HOH 6 205 205 HOH HOH A .
D 4 HOH 7 206 206 HOH HOH A .
D 4 HOH 8 207 207 HOH HOH A .
D 4 HOH 9 208 208 HOH HOH A .
D 4 HOH 10 209 209 HOH HOH A .
D 4 HOH 11 210 210 HOH HOH A .
D 4 HOH 12 211 211 HOH HOH A .
D 4 HOH 13 212 212 HOH HOH A .
D 4 HOH 14 213 213 HOH HOH A .
D 4 HOH 15 214 214 HOH HOH A .
D 4 HOH 16 215 215 HOH HOH A .
D 4 HOH 17 216 216 HOH HOH A .
D 4 HOH 18 217 217 HOH HOH A .
D 4 HOH 19 218 218 HOH HOH A .
D 4 HOH 20 219 219 HOH HOH A .
D 4 HOH 21 220 220 HOH HOH A .
D 4 HOH 22 221 221 HOH HOH A .
D 4 HOH 23 222 222 HOH HOH A .
D 4 HOH 24 223 223 HOH HOH A .
D 4 HOH 25 224 224 HOH HOH A .
D 4 HOH 26 225 225 HOH HOH A .
D 4 HOH 27 226 226 HOH HOH A .
D 4 HOH 28 227 227 HOH HOH A .
D 4 HOH 29 228 228 HOH HOH A .
D 4 HOH 30 229 229 HOH HOH A .
D 4 HOH 31 230 230 HOH HOH A .
D 4 HOH 32 231 231 HOH HOH A .
D 4 HOH 33 232 232 HOH HOH A .
D 4 HOH 34 233 233 HOH HOH A .
D 4 HOH 35 234 234 HOH HOH A .
D 4 HOH 36 235 235 HOH HOH A .
D 4 HOH 37 236 236 HOH HOH A .
D 4 HOH 38 237 237 HOH HOH A .
D 4 HOH 39 238 238 HOH HOH A .
D 4 HOH 40 239 239 HOH HOH A .
D 4 HOH 41 240 240 HOH HOH A .
D 4 HOH 42 241 241 HOH HOH A .
D 4 HOH 43 242 242 HOH HOH A .
D 4 HOH 44 243 243 HOH HOH A .
D 4 HOH 45 244 244 HOH HOH A .
D 4 HOH 46 245 245 HOH HOH A .
D 4 HOH 47 246 246 HOH HOH A .
D 4 HOH 48 247 247 HOH HOH A .
D 4 HOH 49 248 248 HOH HOH A .
D 4 HOH 50 249 249 HOH HOH A .
D 4 HOH 51 250 250 HOH HOH A .
D 4 HOH 52 251 251 HOH HOH A .
D 4 HOH 53 252 252 HOH HOH A .
D 4 HOH 54 253 253 HOH HOH A .
D 4 HOH 55 254 254 HOH HOH A .
D 4 HOH 56 255 255 HOH HOH A .
D 4 HOH 57 256 256 HOH HOH A .
D 4 HOH 58 257 257 HOH HOH A .
D 4 HOH 59 258 258 HOH HOH A .
D 4 HOH 60 259 259 HOH HOH A .
D 4 HOH 61 260 260 HOH HOH A .
D 4 HOH 62 261 261 HOH HOH A .
D 4 HOH 63 262 262 HOH HOH A .
D 4 HOH 64 263 263 HOH HOH A .
D 4 HOH 65 264 264 HOH HOH A .
D 4 HOH 66 265 265 HOH HOH A .
D 4 HOH 67 266 266 HOH HOH A .
D 4 HOH 68 267 267 HOH HOH A .
D 4 HOH 69 268 268 HOH HOH A .
D 4 HOH 70 269 269 HOH HOH A .
D 4 HOH 71 270 270 HOH HOH A .
D 4 HOH 72 271 271 HOH HOH A .
D 4 HOH 73 272 272 HOH HOH A .
D 4 HOH 74 273 273 HOH HOH A .
D 4 HOH 75 274 274 HOH HOH A .
D 4 HOH 76 275 275 HOH HOH A .
D 4 HOH 77 276 276 HOH HOH A .
D 4 HOH 78 277 277 HOH HOH A .
D 4 HOH 79 278 278 HOH HOH A .
D 4 HOH 80 279 279 HOH HOH A .
D 4 HOH 81 280 280 HOH HOH A .
D 4 HOH 82 281 281 HOH HOH A .
D 4 HOH 83 282 282 HOH HOH A .
D 4 HOH 84 283 283 HOH HOH A .
D 4 HOH 85 284 284 HOH HOH A .
D 4 HOH 86 285 285 HOH HOH A .
D 4 HOH 87 286 286 HOH HOH A .
D 4 HOH 88 287 287 HOH HOH A .
D 4 HOH 89 288 288 HOH HOH A .
D 4 HOH 90 289 289 HOH HOH A .
D 4 HOH 91 290 290 HOH HOH A .
D 4 HOH 92 291 291 HOH HOH A .
D 4 HOH 93 292 292 HOH HOH A .
D 4 HOH 94 293 293 HOH HOH A .
D 4 HOH 95 294 294 HOH HOH A .
D 4 HOH 96 295 295 HOH HOH A .
D 4 HOH 97 296 296 HOH HOH A .
D 4 HOH 98 297 297 HOH HOH A .
D 4 HOH 99 298 298 HOH HOH A .
D 4 HOH 100 299 299 HOH HOH A .
D 4 HOH 101 300 300 HOH HOH A .
D 4 HOH 102 301 301 HOH HOH A .
D 4 HOH 103 302 302 HOH HOH A .
D 4 HOH 104 303 303 HOH HOH A .
D 4 HOH 105 304 304 HOH HOH A .
D 4 HOH 106 305 305 HOH HOH A .
D 4 HOH 107 306 306 HOH HOH A .
D 4 HOH 108 307 307 HOH HOH A .
D 4 HOH 109 308 308 HOH HOH A .
D 4 HOH 110 309 309 HOH HOH A .
D 4 HOH 111 310 310 HOH HOH A .
D 4 HOH 112 311 311 HOH HOH A .
D 4 HOH 113 312 312 HOH HOH A .
D 4 HOH 114 313 313 HOH HOH A .
D 4 HOH 115 314 314 HOH HOH A .
D 4 HOH 116 315 315 HOH HOH A .
D 4 HOH 117 316 316 HOH HOH A .
D 4 HOH 118 317 317 HOH HOH A .
D 4 HOH 119 318 318 HOH HOH A .
D 4 HOH 120 319 319 HOH HOH A .
D 4 HOH 121 320 320 HOH HOH A .
D 4 HOH 122 321 321 HOH HOH A .
D 4 HOH 123 322 322 HOH HOH A .
D 4 HOH 124 323 323 HOH HOH A .
D 4 HOH 125 324 324 HOH HOH A .
D 4 HOH 126 325 325 HOH HOH A .
D 4 HOH 127 326 326 HOH HOH A .
D 4 HOH 128 327 327 HOH HOH A .
D 4 HOH 129 328 328 HOH HOH A .
D 4 HOH 130 329 329 HOH HOH A .
D 4 HOH 131 330 330 HOH HOH A .
D 4 HOH 132 331 331 HOH HOH A .
D 4 HOH 133 332 332 HOH HOH A .
D 4 HOH 134 333 333 HOH HOH A .
D 4 HOH 135 334 334 HOH HOH A .
D 4 HOH 136 335 335 HOH HOH A .
D 4 HOH 137 336 336 HOH HOH A .
D 4 HOH 138 337 337 HOH HOH A .
D 4 HOH 139 338 338 HOH HOH A .
D 4 HOH 140 339 339 HOH HOH A .
D 4 HOH 141 340 340 HOH HOH A .
D 4 HOH 142 341 341 HOH HOH A .
D 4 HOH 143 342 342 HOH HOH A .
D 4 HOH 144 343 343 HOH HOH A .
D 4 HOH 145 344 344 HOH HOH A .
D 4 HOH 146 345 345 HOH HOH A .
D 4 HOH 147 346 346 HOH HOH A .
D 4 HOH 148 347 347 HOH HOH A .
D 4 HOH 149 348 348 HOH HOH A .
D 4 HOH 150 349 349 HOH HOH A .
D 4 HOH 151 350 350 HOH HOH A .
D 4 HOH 152 351 351 HOH HOH A .
D 4 HOH 153 352 352 HOH HOH A .
D 4 HOH 154 353 353 HOH HOH A .
D 4 HOH 155 354 354 HOH HOH A .
#
loop_
_software.name
_software.classification
_software.version
_software.citation_id
_software.pdbx_ordinal
X-PLOR 'model building' 3.851 ? 1
X-PLOR refinement 3.851 ? 2
XDS 'data reduction' . ? 3
XSCALE 'data scaling' . ? 4
X-PLOR phasing 3.851 ? 5
#
_cell.entry_id 102M
_cell.length_a 91.433
_cell.length_b 91.433
_cell.length_c 45.949
_cell.angle_alpha 90.00
_cell.angle_beta 90.00
_cell.angle_gamma 120.00
_cell.Z_PDB 6
_cell.pdbx_unique_axis ?
#
_symmetry.entry_id 102M
_symmetry.space_group_name_H-M 'P 6'
_symmetry.pdbx_full_space_group_name_H-M ?
_symmetry.cell_setting ?
_symmetry.Int_Tables_number 168
#
_exptl.entry_id 102M
_exptl.method 'X-RAY DIFFRACTION'
_exptl.crystals_number 1
#
_exptl_crystal.id 1
_exptl_crystal.density_meas ?
_exptl_crystal.density_Matthews 3.09
_exptl_crystal.density_percent_sol 60.2
_exptl_crystal.description ?
#
_exptl_crystal_grow.crystal_id 1
_exptl_crystal_grow.method ?
_exptl_crystal_grow.temp ?
_exptl_crystal_grow.temp_details ?
_exptl_crystal_grow.pH 9.0
_exptl_crystal_grow.pdbx_pH_range ?
_exptl_crystal_grow.pdbx_details '3.0 M AMMONIUM SULFATE, 20 MM TRIS, 1MM EDTA, PH 9.0'
#
_diffrn.id 1
_diffrn.ambient_temp 292
_diffrn.ambient_temp_details ?
_diffrn.crystal_id 1
#
_diffrn_detector.diffrn_id 1
_diffrn_detector.detector 'IMAGE PLATE'
_diffrn_detector.type RIGAKU
_diffrn_detector.pdbx_collection_date 1996-10
_diffrn_detector.details 'PINHOLE COLLIMATOR'
#
_diffrn_radiation.diffrn_id 1
_diffrn_radiation.wavelength_id 1
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
_diffrn_radiation.monochromator 'GRAPHITE(002)'
_diffrn_radiation.pdbx_diffrn_protocol ?
_diffrn_radiation.pdbx_scattering_type x-ray
#
_diffrn_radiation_wavelength.id 1
_diffrn_radiation_wavelength.wavelength 1.5418
_diffrn_radiation_wavelength.wt 1.0
#
_diffrn_source.diffrn_id 1
_diffrn_source.source 'ROTATING ANODE'
_diffrn_source.type SIEMENS
_diffrn_source.pdbx_synchrotron_site ?
_diffrn_source.pdbx_synchrotron_beamline ?
_diffrn_source.pdbx_wavelength 1.5418
_diffrn_source.pdbx_wavelength_list ?
#
_reflns.entry_id 102M
_reflns.observed_criterion_sigma_I 0.
_reflns.observed_criterion_sigma_F ?
_reflns.d_resolution_low 6.00
_reflns.d_resolution_high 1.84
_reflns.number_obs 17484
_reflns.number_all ?
_reflns.percent_possible_obs 90.9
_reflns.pdbx_Rmerge_I_obs 0.0620000
_reflns.pdbx_Rsym_value ?
_reflns.pdbx_netI_over_sigmaI ?
_reflns.B_iso_Wilson_estimate 12.3
_reflns.pdbx_redundancy 5.63
_reflns.pdbx_diffrn_id 1
_reflns.pdbx_ordinal 1
#
_reflns_shell.d_res_high 1.84
_reflns_shell.d_res_low 1.85
_reflns_shell.percent_possible_all 98.4
_reflns_shell.Rmerge_I_obs 0.2670000
_reflns_shell.pdbx_Rsym_value ?
_reflns_shell.meanI_over_sigI_obs ?
_reflns_shell.pdbx_redundancy 4.35
_reflns_shell.pdbx_diffrn_id ?
_reflns_shell.pdbx_ordinal 1
#
_refine.entry_id 102M
_refine.ls_number_reflns_obs 16364
_refine.ls_number_reflns_all ?
_refine.pdbx_ls_sigma_I ?
_refine.pdbx_ls_sigma_F 0.0
_refine.pdbx_data_cutoff_high_absF 10000000.00
_refine.pdbx_data_cutoff_low_absF 0.00100
_refine.pdbx_data_cutoff_high_rms_absF ?
_refine.ls_d_res_low 5.00
_refine.ls_d_res_high 1.84
_refine.ls_percent_reflns_obs 89.8
_refine.ls_R_factor_obs 0.1590000
_refine.ls_R_factor_all ?
_refine.ls_R_factor_R_work 0.1590000
_refine.ls_R_factor_R_free 0.2030000
_refine.ls_R_factor_R_free_error 0.005
_refine.ls_R_factor_R_free_error_details ?
_refine.ls_percent_reflns_R_free 9.9
_refine.ls_number_reflns_R_free 1623
_refine.ls_number_parameters ?
_refine.ls_number_restraints ?
_refine.occupancy_min ?
_refine.occupancy_max ?
_refine.B_iso_mean 19.5
_refine.aniso_B[1][1] ?
_refine.aniso_B[2][2] ?
_refine.aniso_B[3][3] ?
_refine.aniso_B[1][2] ?
_refine.aniso_B[1][3] ?
_refine.aniso_B[2][3] ?
_refine.solvent_model_details ?
_refine.solvent_model_param_ksol ?
_refine.solvent_model_param_bsol ?
_refine.pdbx_ls_cross_valid_method THROUGHOUT
_refine.details ?
_refine.pdbx_starting_model 'SPERM WHALE MYOGLOBIN 0M, D122N (DEOXY)'
_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT'
_refine.pdbx_isotropic_thermal_model RESTRAINED
_refine.pdbx_stereochemistry_target_values ?
_refine.pdbx_stereochem_target_val_spec_case ?
_refine.pdbx_R_Free_selection_details RANDOM
_refine.pdbx_overall_ESU_R ?
_refine.pdbx_overall_ESU_R_Free ?
_refine.overall_SU_ML ?
_refine.overall_SU_B ?
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine.pdbx_diffrn_id 1
_refine.pdbx_TLS_residual_ADP_flag ?
_refine.correlation_coeff_Fo_to_Fc ?
_refine.correlation_coeff_Fo_to_Fc_free ?
_refine.pdbx_solvent_vdw_probe_radii ?
_refine.pdbx_solvent_ion_probe_radii ?
_refine.pdbx_solvent_shrinkage_radii ?
_refine.pdbx_overall_phase_error ?
_refine.overall_SU_R_Cruickshank_DPI ?
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
_refine.pdbx_overall_SU_R_Blow_DPI ?
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
#
_refine_analyze.entry_id 102M
_refine_analyze.Luzzati_coordinate_error_obs 0.16
_refine_analyze.Luzzati_sigma_a_obs 0.16
_refine_analyze.Luzzati_d_res_low_obs 5.00
_refine_analyze.Luzzati_coordinate_error_free 0.20
_refine_analyze.Luzzati_sigma_a_free 0.16
_refine_analyze.Luzzati_d_res_low_free ?
_refine_analyze.number_disordered_residues ?
_refine_analyze.occupancy_sum_hydrogen ?
_refine_analyze.occupancy_sum_non_hydrogen ?
_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION'
#
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine_hist.cycle_id LAST
_refine_hist.pdbx_number_atoms_protein 1220
_refine_hist.pdbx_number_atoms_nucleic_acid 0
_refine_hist.pdbx_number_atoms_ligand 44
_refine_hist.number_atoms_solvent 159
_refine_hist.number_atoms_total 1423
_refine_hist.d_res_high 1.84
_refine_hist.d_res_low 5.00
#
loop_
_refine_ls_restr.type
_refine_ls_restr.dev_ideal
_refine_ls_restr.dev_ideal_target
_refine_ls_restr.weight
_refine_ls_restr.number
_refine_ls_restr.pdbx_refine_id
_refine_ls_restr.pdbx_restraint_function
x_bond_d 0.009 ? ? ? 'X-RAY DIFFRACTION' ?
x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
x_angle_deg 1.4 ? ? ? 'X-RAY DIFFRACTION' ?
x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ?
x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
x_dihedral_angle_d 18.7 ? ? ? 'X-RAY DIFFRACTION' ?
x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
x_improper_angle_d 1.20 ? ? ? 'X-RAY DIFFRACTION' ?
x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
x_mcbond_it 2.01 1.50 ? ? 'X-RAY DIFFRACTION' ?
x_mcangle_it 2.51 2.00 ? ? 'X-RAY DIFFRACTION' ?
x_scbond_it 7.32 2.50 ? ? 'X-RAY DIFFRACTION' ?
x_scangle_it 11.08 2.50 ? ? 'X-RAY DIFFRACTION' ?
#
_refine_ls_shell.pdbx_total_number_of_bins_used 8
_refine_ls_shell.d_res_high 1.84
_refine_ls_shell.d_res_low 1.92
_refine_ls_shell.number_reflns_R_work 1941
_refine_ls_shell.R_factor_R_work 0.2270000
_refine_ls_shell.percent_reflns_obs 94.5
_refine_ls_shell.R_factor_R_free 0.2580000
_refine_ls_shell.R_factor_R_free_error 0.018
_refine_ls_shell.percent_reflns_R_free 9.3
_refine_ls_shell.number_reflns_R_free 200
_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine_ls_shell.number_reflns_all ?
_refine_ls_shell.R_factor_all ?
#
loop_
_pdbx_xplor_file.serial_no
_pdbx_xplor_file.param_file
_pdbx_xplor_file.topol_file
_pdbx_xplor_file.pdbx_refine_id
1 PARHCSDX.PRO TOPHCSDX.PRO 'X-RAY DIFFRACTION'
2 PARAMETER.HEME TOPOLOGY.HEME 'X-RAY DIFFRACTION'
3 PARAM19.SOLV TOPH19.SOLV 'X-RAY DIFFRACTION'
4 PARAM19.SOLV TOPH19.SOLV 'X-RAY DIFFRACTION'
#
_database_PDB_matrix.entry_id 102M
_database_PDB_matrix.origx[1][1] 1.000000
_database_PDB_matrix.origx[1][2] 0.000000
_database_PDB_matrix.origx[1][3] 0.000000
_database_PDB_matrix.origx[2][1] 0.000000
_database_PDB_matrix.origx[2][2] 1.000000
_database_PDB_matrix.origx[2][3] 0.000000
_database_PDB_matrix.origx[3][1] 0.000000
_database_PDB_matrix.origx[3][2] 0.000000
_database_PDB_matrix.origx[3][3] 1.000000
_database_PDB_matrix.origx_vector[1] 0.00000
_database_PDB_matrix.origx_vector[2] 0.00000
_database_PDB_matrix.origx_vector[3] 0.00000
#
_struct.entry_id 102M
_struct.title 'SPERM WHALE MYOGLOBIN H64A AQUOMET AT PH 9.0'
_struct.pdbx_model_details ?
_struct.pdbx_CASP_flag ?
_struct.pdbx_model_type_details ?
#
_struct_keywords.entry_id 102M
_struct_keywords.pdbx_keywords 'OXYGEN TRANSPORT'
_struct_keywords.text 'LIGAND BINDING, OXYGEN STORAGE, OXYGEN BINDING, HEME, OXYGEN TRANSPORT'
#
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 ?
#
_struct_ref.id 1
_struct_ref.db_name UNP
_struct_ref.db_code MYG_PHYCA
_struct_ref.entity_id 1
_struct_ref.pdbx_db_accession P02185
_struct_ref.pdbx_align_begin 1
_struct_ref.pdbx_seq_one_letter_code
;VLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKHGVTVLTALGAILKKKG
HHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGDFGADAQGAMNKALELFRKDIAAKYKELGYQG
;
_struct_ref.pdbx_db_isoform ?
#
_struct_ref_seq.align_id 1
_struct_ref_seq.ref_id 1
_struct_ref_seq.pdbx_PDB_id_code 102M
_struct_ref_seq.pdbx_strand_id A
_struct_ref_seq.seq_align_beg 2
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
_struct_ref_seq.seq_align_end 154
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
_struct_ref_seq.pdbx_db_accession P02185
_struct_ref_seq.db_align_beg 1
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
_struct_ref_seq.db_align_end 153
_struct_ref_seq.pdbx_db_align_end_ins_code ?
_struct_ref_seq.pdbx_auth_seq_align_beg 1
_struct_ref_seq.pdbx_auth_seq_align_end 153
#
loop_
_struct_ref_seq_dif.align_id
_struct_ref_seq_dif.pdbx_pdb_id_code
_struct_ref_seq_dif.mon_id
_struct_ref_seq_dif.pdbx_pdb_strand_id
_struct_ref_seq_dif.seq_num
_struct_ref_seq_dif.pdbx_pdb_ins_code
_struct_ref_seq_dif.pdbx_seq_db_name
_struct_ref_seq_dif.pdbx_seq_db_accession_code
_struct_ref_seq_dif.db_mon_id
_struct_ref_seq_dif.pdbx_seq_db_seq_num
_struct_ref_seq_dif.details
_struct_ref_seq_dif.pdbx_auth_seq_num
_struct_ref_seq_dif.pdbx_ordinal
1 102M ALA A 65 ? UNP P02185 HIS 64 'engineered mutation' 64 1
1 102M ASN A 123 ? UNP P02185 ASP 122 'engineered mutation' 122 2
#
_pdbx_struct_assembly.id 1
_pdbx_struct_assembly.details author_defined_assembly
_pdbx_struct_assembly.method_details ?
_pdbx_struct_assembly.oligomeric_details monomeric
_pdbx_struct_assembly.oligomeric_count 1
#
_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
#
_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
#
_struct_biol.id 1
#
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 1 SER A 4 ? GLU A 19 ? SER A 3 GLU A 18 1 ? 16
HELX_P HELX_P2 2 ASP A 21 ? SER A 36 ? ASP A 20 SER A 35 1 ? 16
HELX_P HELX_P3 3 HIS A 37 ? LYS A 43 ? HIS A 36 LYS A 42 1 ? 7
HELX_P HELX_P4 4 THR A 52 ? ALA A 58 ? THR A 51 ALA A 57 1 ? 7
HELX_P HELX_P5 5 SER A 59 ? LYS A 78 ? SER A 58 LYS A 77 1 ? 20
HELX_P HELX_P6 6 LEU A 87 ? ALA A 95 ? LEU A 86 ALA A 94 1 ? 9
HELX_P HELX_P7 7 PRO A 101 ? ARG A 119 ? PRO A 100 ARG A 118 1 ? 19
HELX_P HELX_P8 8 GLY A 125 ? LEU A 150 ? GLY A 124 LEU A 149 1 ? 26
#
_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
metalc1 metalc ? ? A HIS 94 NE2 ? ? ? 1_555 C HEM . FE ? ? A HIS 93 A HEM 155 1_555 ? ? ? ? ? ? ? 2.103 ? ?
metalc2 metalc ? ? C HEM . FE ? ? ? 1_555 D HOH . O ? ? A HEM 155 A HOH 156 1_555 ? ? ? ? ? ? ? 2.100 ? ?
#
_struct_conn_type.id metalc
_struct_conn_type.criteria ?
_struct_conn_type.reference ?
#
loop_
_pdbx_struct_conn_angle.id
_pdbx_struct_conn_angle.ptnr1_label_atom_id
_pdbx_struct_conn_angle.ptnr1_label_alt_id
_pdbx_struct_conn_angle.ptnr1_label_asym_id
_pdbx_struct_conn_angle.ptnr1_label_comp_id
_pdbx_struct_conn_angle.ptnr1_label_seq_id
_pdbx_struct_conn_angle.ptnr1_auth_atom_id
_pdbx_struct_conn_angle.ptnr1_auth_asym_id
_pdbx_struct_conn_angle.ptnr1_auth_comp_id
_pdbx_struct_conn_angle.ptnr1_auth_seq_id
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code
_pdbx_struct_conn_angle.ptnr1_symmetry
_pdbx_struct_conn_angle.ptnr2_label_atom_id
_pdbx_struct_conn_angle.ptnr2_label_alt_id
_pdbx_struct_conn_angle.ptnr2_label_asym_id
_pdbx_struct_conn_angle.ptnr2_label_comp_id
_pdbx_struct_conn_angle.ptnr2_label_seq_id
_pdbx_struct_conn_angle.ptnr2_auth_atom_id
_pdbx_struct_conn_angle.ptnr2_auth_asym_id
_pdbx_struct_conn_angle.ptnr2_auth_comp_id
_pdbx_struct_conn_angle.ptnr2_auth_seq_id
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code
_pdbx_struct_conn_angle.ptnr2_symmetry
_pdbx_struct_conn_angle.ptnr3_label_atom_id
_pdbx_struct_conn_angle.ptnr3_label_alt_id
_pdbx_struct_conn_angle.ptnr3_label_asym_id
_pdbx_struct_conn_angle.ptnr3_label_comp_id
_pdbx_struct_conn_angle.ptnr3_label_seq_id
_pdbx_struct_conn_angle.ptnr3_auth_atom_id
_pdbx_struct_conn_angle.ptnr3_auth_asym_id
_pdbx_struct_conn_angle.ptnr3_auth_comp_id
_pdbx_struct_conn_angle.ptnr3_auth_seq_id
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code
_pdbx_struct_conn_angle.ptnr3_symmetry
_pdbx_struct_conn_angle.value
_pdbx_struct_conn_angle.value_esd
1 NE2 ? A HIS 94 ? A HIS 93 ? 1_555 FE ? C HEM . ? A HEM 155 ? 1_555 NA ? C HEM . ? A HEM 155 ? 1_555 88.6 ?
2 NE2 ? A HIS 94 ? A HIS 93 ? 1_555 FE ? C HEM . ? A HEM 155 ? 1_555 NB ? C HEM . ? A HEM 155 ? 1_555 89.1 ?
3 NA ? C HEM . ? A HEM 155 ? 1_555 FE ? C HEM . ? A HEM 155 ? 1_555 NB ? C HEM . ? A HEM 155 ? 1_555 88.8 ?
4 NE2 ? A HIS 94 ? A HIS 93 ? 1_555 FE ? C HEM . ? A HEM 155 ? 1_555 NC ? C HEM . ? A HEM 155 ? 1_555 94.8 ?
5 NA ? C HEM . ? A HEM 155 ? 1_555 FE ? C HEM . ? A HEM 155 ? 1_555 NC ? C HEM . ? A HEM 155 ? 1_555 176.5 ?
6 NB ? C HEM . ? A HEM 155 ? 1_555 FE ? C HEM . ? A HEM 155 ? 1_555 NC ? C HEM . ? A HEM 155 ? 1_555 91.1 ?
7 NE2 ? A HIS 94 ? A HIS 93 ? 1_555 FE ? C HEM . ? A HEM 155 ? 1_555 ND ? C HEM . ? A HEM 155 ? 1_555 92.8 ?
8 NA ? C HEM . ? A HEM 155 ? 1_555 FE ? C HEM . ? A HEM 155 ? 1_555 ND ? C HEM . ? A HEM 155 ? 1_555 91.1 ?
9 NB ? C HEM . ? A HEM 155 ? 1_555 FE ? C HEM . ? A HEM 155 ? 1_555 ND ? C HEM . ? A HEM 155 ? 1_555 178.1 ?
10 NC ? C HEM . ? A HEM 155 ? 1_555 FE ? C HEM . ? A HEM 155 ? 1_555 ND ? C HEM . ? A HEM 155 ? 1_555 88.9 ?
11 NE2 ? A HIS 94 ? A HIS 93 ? 1_555 FE ? C HEM . ? A HEM 155 ? 1_555 O ? D HOH . ? A HOH 156 ? 1_555 177.2 ?
12 NA ? C HEM . ? A HEM 155 ? 1_555 FE ? C HEM . ? A HEM 155 ? 1_555 O ? D HOH . ? A HOH 156 ? 1_555 90.5 ?
13 NB ? C HEM . ? A HEM 155 ? 1_555 FE ? C HEM . ? A HEM 155 ? 1_555 O ? D HOH . ? A HOH 156 ? 1_555 93.5 ?
14 NC ? C HEM . ? A HEM 155 ? 1_555 FE ? C HEM . ? A HEM 155 ? 1_555 O ? D HOH . ? A HOH 156 ? 1_555 86.0 ?
15 ND ? C HEM . ? A HEM 155 ? 1_555 FE ? C HEM . ? A HEM 155 ? 1_555 O ? D HOH . ? A HOH 156 ? 1_555 84.5 ?
#
loop_
_struct_site.id
_struct_site.pdbx_evidence_code
_struct_site.pdbx_auth_asym_id
_struct_site.pdbx_auth_comp_id
_struct_site.pdbx_auth_seq_id
_struct_site.pdbx_auth_ins_code
_struct_site.pdbx_num_residues
_struct_site.details
HEM Unknown ? ? ? ? 1 'LIGAND BINDING SITE.'
AC1 Software A SO4 157 ? 5 'BINDING SITE FOR RESIDUE SO4 A 157'
AC2 Software A HEM 155 ? 13 'BINDING SITE FOR RESIDUE HEM A 155'
#
loop_
_struct_site_gen.id
_struct_site_gen.site_id
_struct_site_gen.pdbx_num_res
_struct_site_gen.label_comp_id
_struct_site_gen.label_asym_id
_struct_site_gen.label_seq_id
_struct_site_gen.pdbx_auth_ins_code
_struct_site_gen.auth_comp_id
_struct_site_gen.auth_asym_id
_struct_site_gen.auth_seq_id
_struct_site_gen.label_atom_id
_struct_site_gen.label_alt_id
_struct_site_gen.symmetry
_struct_site_gen.details
1 HEM 1 HEM C . ? HEM A 155 . ? 1_555 ?
2 AC1 5 SER A 4 ? SER A 3 . ? 1_556 ?
3 AC1 5 GLU A 5 ? GLU A 4 . ? 1_556 ?
4 AC1 5 THR A 52 ? THR A 51 . ? 1_555 ?
5 AC1 5 GLU A 53 ? GLU A 52 . ? 1_555 ?
6 AC1 5 HOH D . ? HOH A 297 . ? 1_555 ?
7 AC2 13 LYS A 43 ? LYS A 42 . ? 1_555 ?
8 AC2 13 PHE A 44 ? PHE A 43 . ? 1_555 ?
9 AC2 13 ARG A 46 ? ARG A 45 . ? 1_555 ?
10 AC2 13 THR A 68 ? THR A 67 . ? 1_555 ?
11 AC2 13 LEU A 90 ? LEU A 89 . ? 1_555 ?
12 AC2 13 SER A 93 ? SER A 92 . ? 1_555 ?
13 AC2 13 HIS A 94 ? HIS A 93 . ? 1_555 ?
14 AC2 13 HIS A 98 ? HIS A 97 . ? 1_555 ?
15 AC2 13 ILE A 100 ? ILE A 99 . ? 1_555 ?
16 AC2 13 TYR A 104 ? TYR A 103 . ? 1_555 ?
17 AC2 13 HOH D . ? HOH A 156 . ? 1_555 ?
18 AC2 13 HOH D . ? HOH A 308 . ? 1_555 ?
19 AC2 13 HOH D . ? HOH A 316 . ? 1_555 ?
#
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 ASP A 20 ? ? -150.71 73.37
2 1 TYR A 151 ? ? -120.06 -69.82
3 1 GLN A 152 ? ? 45.28 19.32
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.pdbx_aromatic_flag
_chem_comp_atom.pdbx_stereo_config
_chem_comp_atom.pdbx_ordinal
ALA N N N N 1
ALA CA C N S 2
ALA C C N N 3
ALA O O N N 4
ALA CB C N N 5
ALA OXT O N N 6
ALA H H N N 7
ALA H2 H N N 8
ALA HA H N N 9
ALA HB1 H N N 10
ALA HB2 H N N 11
ALA HB3 H N N 12
ALA HXT H N N 13
ARG N N N N 14
ARG CA C N S 15
ARG C C N N 16
ARG O O N N 17
ARG CB C N N 18
ARG CG C N N 19
ARG CD C N N 20
ARG NE N N N 21
ARG CZ C N N 22
ARG NH1 N N N 23
ARG NH2 N N N 24
ARG OXT O N N 25
ARG H H N N 26
ARG H2 H N N 27
ARG HA H N N 28
ARG HB2 H N N 29
ARG HB3 H N N 30
ARG HG2 H N N 31
ARG HG3 H N N 32
ARG HD2 H N N 33
ARG HD3 H N N 34
ARG HE H N N 35
ARG HH11 H N N 36
ARG HH12 H N N 37
ARG HH21 H N N 38
ARG HH22 H N N 39
ARG HXT H N N 40
ASN N N N N 41
ASN CA C N S 42
ASN C C N N 43
ASN O O N N 44
ASN CB C N N 45
ASN CG C N N 46
ASN OD1 O N N 47
ASN ND2 N N N 48
ASN OXT O N N 49
ASN H H N N 50
ASN H2 H N N 51
ASN HA H N N 52
ASN HB2 H N N 53
ASN HB3 H N N 54
ASN HD21 H N N 55
ASN HD22 H N N 56
ASN HXT H N N 57
ASP N N N N 58
ASP CA C N S 59
ASP C C N N 60
ASP O O N N 61
ASP CB C N N 62
ASP CG C N N 63
ASP OD1 O N N 64
ASP OD2 O N N 65
ASP OXT O N N 66
ASP H H N N 67
ASP H2 H N N 68
ASP HA H N N 69
ASP HB2 H N N 70
ASP HB3 H N N 71
ASP HD2 H N N 72
ASP HXT H N N 73
GLN N N N N 74
GLN CA C N S 75
GLN C C N N 76
GLN O O N N 77
GLN CB C N N 78
GLN CG C N N 79
GLN CD C N N 80
GLN OE1 O N N 81
GLN NE2 N N N 82
GLN OXT O N N 83
GLN H H N N 84
GLN H2 H N N 85
GLN HA H N N 86
GLN HB2 H N N 87
GLN HB3 H N N 88
GLN HG2 H N N 89
GLN HG3 H N N 90
GLN HE21 H N N 91
GLN HE22 H N N 92
GLN HXT H N N 93
GLU N N N N 94
GLU CA C N S 95
GLU C C N N 96
GLU O O N N 97
GLU CB C N N 98
GLU CG C N N 99
GLU CD C N N 100
GLU OE1 O N N 101
GLU OE2 O N N 102
GLU OXT O N N 103
GLU H H N N 104
GLU H2 H N N 105
GLU HA H N N 106
GLU HB2 H N N 107
GLU HB3 H N N 108
GLU HG2 H N N 109
GLU HG3 H N N 110
GLU HE2 H N N 111
GLU HXT H N N 112
GLY N N N N 113
GLY CA C N N 114
GLY C C N N 115
GLY O O N N 116
GLY OXT O N N 117
GLY H H N N 118
GLY H2 H N N 119
GLY HA2 H N N 120
GLY HA3 H N N 121
GLY HXT H N N 122
HEM CHA C N N 123
HEM CHB C N N 124
HEM CHC C N N 125
HEM CHD C N N 126
HEM C1A C Y N 127
HEM C2A C Y N 128
HEM C3A C Y N 129
HEM C4A C Y N 130
HEM CMA C N N 131
HEM CAA C N N 132
HEM CBA C N N 133
HEM CGA C N N 134
HEM O1A O N N 135
HEM O2A O N N 136
HEM C1B C N N 137
HEM C2B C N N 138
HEM C3B C N N 139
HEM C4B C N N 140
HEM CMB C N N 141
HEM CAB C N N 142
HEM CBB C N N 143
HEM C1C C Y N 144
HEM C2C C Y N 145
HEM C3C C Y N 146
HEM C4C C Y N 147
HEM CMC C N N 148
HEM CAC C N N 149
HEM CBC C N N 150
HEM C1D C N N 151
HEM C2D C N N 152
HEM C3D C N N 153
HEM C4D C N N 154
HEM CMD C N N 155
HEM CAD C N N 156
HEM CBD C N N 157
HEM CGD C N N 158
HEM O1D O N N 159
HEM O2D O N N 160
HEM NA N Y N 161
HEM NB N N N 162
HEM NC N Y N 163
HEM ND N N N 164
HEM FE FE N N 165
HEM HHB H N N 166
HEM HHC H N N 167
HEM HHD H N N 168
HEM HMA H N N 169
HEM HMAA H N N 170
HEM HMAB H N N 171
HEM HAA H N N 172
HEM HAAA H N N 173
HEM HBA H N N 174
HEM HBAA H N N 175
HEM HMB H N N 176
HEM HMBA H N N 177
HEM HMBB H N N 178
HEM HAB H N N 179
HEM HBB H N N 180
HEM HBBA H N N 181
HEM HMC H N N 182
HEM HMCA H N N 183
HEM HMCB H N N 184
HEM HAC H N N 185
HEM HBC H N N 186
HEM HBCA H N N 187
HEM HMD H N N 188
HEM HMDA H N N 189
HEM HMDB H N N 190
HEM HAD H N N 191
HEM HADA H N N 192
HEM HBD H N N 193
HEM HBDA H N N 194
HEM H2A H N N 195
HEM H2D H N N 196
HEM HHA H N N 197
HIS N N N N 198
HIS CA C N S 199
HIS C C N N 200
HIS O O N N 201
HIS CB C N N 202
HIS CG C Y N 203
HIS ND1 N Y N 204
HIS CD2 C Y N 205
HIS CE1 C Y N 206
HIS NE2 N Y N 207
HIS OXT O N N 208
HIS H H N N 209
HIS H2 H N N 210
HIS HA H N N 211
HIS HB2 H N N 212
HIS HB3 H N N 213
HIS HD1 H N N 214
HIS HD2 H N N 215
HIS HE1 H N N 216
HIS HE2 H N N 217
HIS HXT H N N 218
HOH O O N N 219
HOH H1 H N N 220
HOH H2 H N N 221
ILE N N N N 222
ILE CA C N S 223
ILE C C N N 224
ILE O O N N 225
ILE CB C N S 226
ILE CG1 C N N 227
ILE CG2 C N N 228
ILE CD1 C N N 229
ILE OXT O N N 230
ILE H H N N 231
ILE H2 H N N 232
ILE HA H N N 233
ILE HB H N N 234
ILE HG12 H N N 235
ILE HG13 H N N 236
ILE HG21 H N N 237
ILE HG22 H N N 238
ILE HG23 H N N 239
ILE HD11 H N N 240
ILE HD12 H N N 241
ILE HD13 H N N 242
ILE HXT H N N 243
LEU N N N N 244
LEU CA C N S 245
LEU C C N N 246
LEU O O N N 247
LEU CB C N N 248
LEU CG C N N 249
LEU CD1 C N N 250
LEU CD2 C N N 251
LEU OXT O N N 252
LEU H H N N 253
LEU H2 H N N 254
LEU HA H N N 255
LEU HB2 H N N 256
LEU HB3 H N N 257
LEU HG H N N 258
LEU HD11 H N N 259
LEU HD12 H N N 260
LEU HD13 H N N 261
LEU HD21 H N N 262
LEU HD22 H N N 263
LEU HD23 H N N 264
LEU HXT H N N 265
LYS N N N N 266
LYS CA C N S 267
LYS C C N N 268
LYS O O N N 269
LYS CB C N N 270
LYS CG C N N 271
LYS CD C N N 272
LYS CE C N N 273
LYS NZ N N N 274
LYS OXT O N N 275
LYS H H N N 276
LYS H2 H N N 277
LYS HA H N N 278
LYS HB2 H N N 279
LYS HB3 H N N 280
LYS HG2 H N N 281
LYS HG3 H N N 282
LYS HD2 H N N 283
LYS HD3 H N N 284
LYS HE2 H N N 285
LYS HE3 H N N 286
LYS HZ1 H N N 287
LYS HZ2 H N N 288
LYS HZ3 H N N 289
LYS HXT H N N 290
MET N N N N 291
MET CA C N S 292
MET C C N N 293
MET O O N N 294
MET CB C N N 295
MET CG C N N 296
MET SD S N N 297
MET CE C N N 298
MET OXT O N N 299
MET H H N N 300
MET H2 H N N 301
MET HA H N N 302
MET HB2 H N N 303
MET HB3 H N N 304
MET HG2 H N N 305
MET HG3 H N N 306
MET HE1 H N N 307
MET HE2 H N N 308
MET HE3 H N N 309
MET HXT H N N 310
PHE N N N N 311
PHE CA C N S 312
PHE C C N N 313
PHE O O N N 314
PHE CB C N N 315
PHE CG C Y N 316
PHE CD1 C Y N 317
PHE CD2 C Y N 318
PHE CE1 C Y N 319
PHE CE2 C Y N 320
PHE CZ C Y N 321
PHE OXT O N N 322
PHE H H N N 323
PHE H2 H N N 324
PHE HA H N N 325
PHE HB2 H N N 326
PHE HB3 H N N 327
PHE HD1 H N N 328
PHE HD2 H N N 329
PHE HE1 H N N 330
PHE HE2 H N N 331
PHE HZ H N N 332
PHE HXT H N N 333
PRO N N N N 334
PRO CA C N S 335
PRO C C N N 336
PRO O O N N 337
PRO CB C N N 338
PRO CG C N N 339
PRO CD C N N 340
PRO OXT O N N 341
PRO H H N N 342
PRO HA H N N 343
PRO HB2 H N N 344
PRO HB3 H N N 345
PRO HG2 H N N 346
PRO HG3 H N N 347
PRO HD2 H N N 348
PRO HD3 H N N 349
PRO HXT H N N 350
SER N N N N 351
SER CA C N S 352
SER C C N N 353
SER O O N N 354
SER CB C N N 355
SER OG O N N 356
SER OXT O N N 357
SER H H N N 358
SER H2 H N N 359
SER HA H N N 360
SER HB2 H N N 361
SER HB3 H N N 362
SER HG H N N 363
SER HXT H N N 364
SO4 S S N N 365
SO4 O1 O N N 366
SO4 O2 O N N 367
SO4 O3 O N N 368
SO4 O4 O N N 369
THR N N N N 370
THR CA C N S 371
THR C C N N 372
THR O O N N 373
THR CB C N R 374
THR OG1 O N N 375
THR CG2 C N N 376
THR OXT O N N 377
THR H H N N 378
THR H2 H N N 379
THR HA H N N 380
THR HB H N N 381
THR HG1 H N N 382
THR HG21 H N N 383
THR HG22 H N N 384
THR HG23 H N N 385
THR HXT H N N 386
TRP N N N N 387
TRP CA C N S 388
TRP C C N N 389
TRP O O N N 390
TRP CB C N N 391
TRP CG C Y N 392
TRP CD1 C Y N 393
TRP CD2 C Y N 394
TRP NE1 N Y N 395
TRP CE2 C Y N 396
TRP CE3 C Y N 397
TRP CZ2 C Y N 398
TRP CZ3 C Y N 399
TRP CH2 C Y N 400
TRP OXT O N N 401
TRP H H N N 402
TRP H2 H N N 403
TRP HA H N N 404
TRP HB2 H N N 405
TRP HB3 H N N 406
TRP HD1 H N N 407
TRP HE1 H N N 408
TRP HE3 H N N 409
TRP HZ2 H N N 410
TRP HZ3 H N N 411
TRP HH2 H N N 412
TRP HXT H N N 413
TYR N N N N 414
TYR CA C N S 415
TYR C C N N 416
TYR O O N N 417
TYR CB C N N 418
TYR CG C Y N 419
TYR CD1 C Y N 420
TYR CD2 C Y N 421
TYR CE1 C Y N 422
TYR CE2 C Y N 423
TYR CZ C Y N 424
TYR OH O N N 425
TYR OXT O N N 426
TYR H H N N 427
TYR H2 H N N 428
TYR HA H N N 429
TYR HB2 H N N 430
TYR HB3 H N N 431
TYR HD1 H N N 432
TYR HD2 H N N 433
TYR HE1 H N N 434
TYR HE2 H N N 435
TYR HH H N N 436
TYR HXT H N N 437
VAL N N N N 438
VAL CA C N S 439
VAL C C N N 440
VAL O O N N 441
VAL CB C N N 442
VAL CG1 C N N 443
VAL CG2 C N N 444
VAL OXT O N N 445
VAL H H N N 446
VAL H2 H N N 447
VAL HA H N N 448
VAL HB H N N 449
VAL HG11 H N N 450
VAL HG12 H N N 451
VAL HG13 H N N 452
VAL HG21 H N N 453
VAL HG22 H N N 454
VAL HG23 H N N 455
VAL HXT H N N 456
#
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
_chem_comp_bond.pdbx_aromatic_flag
_chem_comp_bond.pdbx_stereo_config
_chem_comp_bond.pdbx_ordinal
ALA N CA sing N N 1
ALA N H sing N N 2
ALA N H2 sing N N 3
ALA CA C sing N N 4
ALA CA CB sing N N 5
ALA CA HA sing N N 6
ALA C O doub N N 7
ALA C OXT sing N N 8
ALA CB HB1 sing N N 9
ALA CB HB2 sing N N 10
ALA CB HB3 sing N N 11
ALA OXT HXT sing N N 12
ARG N CA sing N N 13
ARG N H sing N N 14
ARG N H2 sing N N 15
ARG CA C sing N N 16
ARG CA CB sing N N 17
ARG CA HA sing N N 18
ARG C O doub N N 19
ARG C OXT sing N N 20
ARG CB CG sing N N 21
ARG CB HB2 sing N N 22
ARG CB HB3 sing N N 23
ARG CG CD sing N N 24
ARG CG HG2 sing N N 25
ARG CG HG3 sing N N 26
ARG CD NE sing N N 27
ARG CD HD2 sing N N 28
ARG CD HD3 sing N N 29
ARG NE CZ sing N N 30
ARG NE HE sing N N 31
ARG CZ NH1 sing N N 32
ARG CZ NH2 doub N N 33
ARG NH1 HH11 sing N N 34
ARG NH1 HH12 sing N N 35
ARG NH2 HH21 sing N N 36
ARG NH2 HH22 sing N N 37
ARG OXT HXT sing N N 38
ASN N CA sing N N 39
ASN N H sing N N 40
ASN N H2 sing N N 41
ASN CA C sing N N 42
ASN CA CB sing N N 43
ASN CA HA sing N N 44
ASN C O doub N N 45
ASN C OXT sing N N 46
ASN CB CG sing N N 47
ASN CB HB2 sing N N 48
ASN CB HB3 sing N N 49
ASN CG OD1 doub N N 50
ASN CG ND2 sing N N 51
ASN ND2 HD21 sing N N 52
ASN ND2 HD22 sing N N 53
ASN OXT HXT sing N N 54
ASP N CA sing N N 55
ASP N H sing N N 56
ASP N H2 sing N N 57
ASP CA C sing N N 58
ASP CA CB sing N N 59
ASP CA HA sing N N 60
ASP C O doub N N 61
ASP C OXT sing N N 62
ASP CB CG sing N N 63
ASP CB HB2 sing N N 64
ASP CB HB3 sing N N 65
ASP CG OD1 doub N N 66
ASP CG OD2 sing N N 67
ASP OD2 HD2 sing N N 68
ASP OXT HXT sing N N 69
GLN N CA sing N N 70
GLN N H sing N N 71
GLN N H2 sing N N 72
GLN CA C sing N N 73
GLN CA CB sing N N 74
GLN CA HA sing N N 75
GLN C O doub N N 76
GLN C OXT sing N N 77
GLN CB CG sing N N 78
GLN CB HB2 sing N N 79
GLN CB HB3 sing N N 80
GLN CG CD sing N N 81
GLN CG HG2 sing N N 82
GLN CG HG3 sing N N 83
GLN CD OE1 doub N N 84
GLN CD NE2 sing N N 85
GLN NE2 HE21 sing N N 86
GLN NE2 HE22 sing N N 87
GLN OXT HXT sing N N 88
GLU N CA sing N N 89
GLU N H sing N N 90
GLU N H2 sing N N 91
GLU CA C sing N N 92
GLU CA CB sing N N 93
GLU CA HA sing N N 94
GLU C O doub N N 95
GLU C OXT sing N N 96
GLU CB CG sing N N 97
GLU CB HB2 sing N N 98
GLU CB HB3 sing N N 99
GLU CG CD sing N N 100
GLU CG HG2 sing N N 101
GLU CG HG3 sing N N 102
GLU CD OE1 doub N N 103
GLU CD OE2 sing N N 104
GLU OE2 HE2 sing N N 105
GLU OXT HXT sing N N 106
GLY N CA sing N N 107
GLY N H sing N N 108
GLY N H2 sing N N 109
GLY CA C sing N N 110
GLY CA HA2 sing N N 111
GLY CA HA3 sing N N 112
GLY C O doub N N 113
GLY C OXT sing N N 114
GLY OXT HXT sing N N 115
HEM CHA C1A sing N N 116
HEM CHA C4D doub N N 117
HEM CHA HHA sing N N 118
HEM CHB C4A sing N N 119
HEM CHB C1B doub N N 120
HEM CHB HHB sing N N 121
HEM CHC C4B sing N N 122
HEM CHC C1C doub N N 123
HEM CHC HHC sing N N 124
HEM CHD C4C doub N N 125
HEM CHD C1D sing N N 126
HEM CHD HHD sing N N 127
HEM C1A C2A doub Y N 128
HEM C1A NA sing Y N 129
HEM C2A C3A sing Y N 130
HEM C2A CAA sing N N 131
HEM C3A C4A doub Y N 132
HEM C3A CMA sing N N 133
HEM C4A NA sing Y N 134
HEM CMA HMA sing N N 135
HEM CMA HMAA sing N N 136
HEM CMA HMAB sing N N 137
HEM CAA CBA sing N N 138
HEM CAA HAA sing N N 139
HEM CAA HAAA sing N N 140
HEM CBA CGA sing N N 141
HEM CBA HBA sing N N 142
HEM CBA HBAA sing N N 143
HEM CGA O1A doub N N 144
HEM CGA O2A sing N N 145
HEM C1B C2B sing N N 146
HEM C1B NB sing N N 147
HEM C2B C3B doub N N 148
HEM C2B CMB sing N N 149
HEM C3B C4B sing N N 150
HEM C3B CAB sing N N 151
HEM C4B NB doub N N 152
HEM CMB HMB sing N N 153
HEM CMB HMBA sing N N 154
HEM CMB HMBB sing N N 155
HEM CAB CBB doub N N 156
HEM CAB HAB sing N N 157
HEM CBB HBB sing N N 158
HEM CBB HBBA sing N N 159
HEM C1C C2C sing Y N 160
HEM C1C NC sing Y N 161
HEM C2C C3C doub Y N 162
HEM C2C CMC sing N N 163
HEM C3C C4C sing Y N 164
HEM C3C CAC sing N N 165
HEM C4C NC sing Y N 166
HEM CMC HMC sing N N 167
HEM CMC HMCA sing N N 168
HEM CMC HMCB sing N N 169
HEM CAC CBC doub N N 170
HEM CAC HAC sing N N 171
HEM CBC HBC sing N N 172
HEM CBC HBCA sing N N 173
HEM C1D C2D sing N N 174
HEM C1D ND doub N N 175
HEM C2D C3D doub N N 176
HEM C2D CMD sing N N 177
HEM C3D C4D sing N N 178
HEM C3D CAD sing N N 179
HEM C4D ND sing N N 180
HEM CMD HMD sing N N 181
HEM CMD HMDA sing N N 182
HEM CMD HMDB sing N N 183
HEM CAD CBD sing N N 184
HEM CAD HAD sing N N 185
HEM CAD HADA sing N N 186
HEM CBD CGD sing N N 187
HEM CBD HBD sing N N 188
HEM CBD HBDA sing N N 189
HEM CGD O1D doub N N 190
HEM CGD O2D sing N N 191
HEM O2A H2A sing N N 192
HEM O2D H2D sing N N 193
HEM FE NA sing N N 194
HEM FE NB sing N N 195
HEM FE NC sing N N 196
HEM FE ND sing N N 197
HIS N CA sing N N 198
HIS N H sing N N 199
HIS N H2 sing N N 200
HIS CA C sing N N 201
HIS CA CB sing N N 202
HIS CA HA sing N N 203
HIS C O doub N N 204
HIS C OXT sing N N 205
HIS CB CG sing N N 206
HIS CB HB2 sing N N 207
HIS CB HB3 sing N N 208
HIS CG ND1 sing Y N 209
HIS CG CD2 doub Y N 210
HIS ND1 CE1 doub Y N 211
HIS ND1 HD1 sing N N 212
HIS CD2 NE2 sing Y N 213
HIS CD2 HD2 sing N N 214
HIS CE1 NE2 sing Y N 215
HIS CE1 HE1 sing N N 216
HIS NE2 HE2 sing N N 217
HIS OXT HXT sing N N 218
HOH O H1 sing N N 219
HOH O H2 sing N N 220
ILE N CA sing N N 221
ILE N H sing N N 222
ILE N H2 sing N N 223
ILE CA C sing N N 224
ILE CA CB sing N N 225
ILE CA HA sing N N 226
ILE C O doub N N 227
ILE C OXT sing N N 228
ILE CB CG1 sing N N 229
ILE CB CG2 sing N N 230
ILE CB HB sing N N 231
ILE CG1 CD1 sing N N 232
ILE CG1 HG12 sing N N 233
ILE CG1 HG13 sing N N 234
ILE CG2 HG21 sing N N 235
ILE CG2 HG22 sing N N 236
ILE CG2 HG23 sing N N 237
ILE CD1 HD11 sing N N 238
ILE CD1 HD12 sing N N 239
ILE CD1 HD13 sing N N 240
ILE OXT HXT sing N N 241
LEU N CA sing N N 242
LEU N H sing N N 243
LEU N H2 sing N N 244
LEU CA C sing N N 245
LEU CA CB sing N N 246
LEU CA HA sing N N 247
LEU C O doub N N 248
LEU C OXT sing N N 249
LEU CB CG sing N N 250
LEU CB HB2 sing N N 251
LEU CB HB3 sing N N 252
LEU CG CD1 sing N N 253
LEU CG CD2 sing N N 254
LEU CG HG sing N N 255
LEU CD1 HD11 sing N N 256
LEU CD1 HD12 sing N N 257
LEU CD1 HD13 sing N N 258
LEU CD2 HD21 sing N N 259
LEU CD2 HD22 sing N N 260
LEU CD2 HD23 sing N N 261
LEU OXT HXT sing N N 262
LYS N CA sing N N 263
LYS N H sing N N 264
LYS N H2 sing N N 265
LYS CA C sing N N 266
LYS CA CB sing N N 267
LYS CA HA sing N N 268
LYS C O doub N N 269
LYS C OXT sing N N 270
LYS CB CG sing N N 271
LYS CB HB2 sing N N 272
LYS CB HB3 sing N N 273
LYS CG CD sing N N 274
LYS CG HG2 sing N N 275
LYS CG HG3 sing N N 276
LYS CD CE sing N N 277
LYS CD HD2 sing N N 278
LYS CD HD3 sing N N 279
LYS CE NZ sing N N 280
LYS CE HE2 sing N N 281
LYS CE HE3 sing N N 282
LYS NZ HZ1 sing N N 283
LYS NZ HZ2 sing N N 284
LYS NZ HZ3 sing N N 285
LYS OXT HXT sing N N 286
MET N CA sing N N 287
MET N H sing N N 288
MET N H2 sing N N 289
MET CA C sing N N 290
MET CA CB sing N N 291
MET CA HA sing N N 292
MET C O doub N N 293
MET C OXT sing N N 294
MET CB CG sing N N 295
MET CB HB2 sing N N 296
MET CB HB3 sing N N 297
MET CG SD sing N N 298
MET CG HG2 sing N N 299
MET CG HG3 sing N N 300
MET SD CE sing N N 301
MET CE HE1 sing N N 302
MET CE HE2 sing N N 303
MET CE HE3 sing N N 304
MET OXT HXT sing N N 305
PHE N CA sing N N 306
PHE N H sing N N 307
PHE N H2 sing N N 308
PHE CA C sing N N 309
PHE CA CB sing N N 310
PHE CA HA sing N N 311
PHE C O doub N N 312
PHE C OXT sing N N 313
PHE CB CG sing N N 314
PHE CB HB2 sing N N 315
PHE CB HB3 sing N N 316
PHE CG CD1 doub Y N 317
PHE CG CD2 sing Y N 318
PHE CD1 CE1 sing Y N 319
PHE CD1 HD1 sing N N 320
PHE CD2 CE2 doub Y N 321
PHE CD2 HD2 sing N N 322
PHE CE1 CZ doub Y N 323
PHE CE1 HE1 sing N N 324
PHE CE2 CZ sing Y N 325
PHE CE2 HE2 sing N N 326
PHE CZ HZ sing N N 327
PHE OXT HXT sing N N 328
PRO N CA sing N N 329
PRO N CD sing N N 330
PRO N H sing N N 331
PRO CA C sing N N 332
PRO CA CB sing N N 333
PRO CA HA sing N N 334
PRO C O doub N N 335
PRO C OXT sing N N 336
PRO CB CG sing N N 337
PRO CB HB2 sing N N 338
PRO CB HB3 sing N N 339
PRO CG CD sing N N 340
PRO CG HG2 sing N N 341
PRO CG HG3 sing N N 342
PRO CD HD2 sing N N 343
PRO CD HD3 sing N N 344
PRO OXT HXT sing N N 345
SER N CA sing N N 346
SER N H sing N N 347
SER N H2 sing N N 348
SER CA C sing N N 349
SER CA CB sing N N 350
SER CA HA sing N N 351
SER C O doub N N 352
SER C OXT sing N N 353
SER CB OG sing N N 354
SER CB HB2 sing N N 355
SER CB HB3 sing N N 356
SER OG HG sing N N 357
SER OXT HXT sing N N 358
SO4 S O1 doub N N 359
SO4 S O2 doub N N 360
SO4 S O3 sing N N 361
SO4 S O4 sing N N 362
THR N CA sing N N 363
THR N H sing N N 364
THR N H2 sing N N 365
THR CA C sing N N 366
THR CA CB sing N N 367
THR CA HA sing N N 368
THR C O doub N N 369
THR C OXT sing N N 370
THR CB OG1 sing N N 371
THR CB CG2 sing N N 372
THR CB HB sing N N 373
THR OG1 HG1 sing N N 374
THR CG2 HG21 sing N N 375
THR CG2 HG22 sing N N 376
THR CG2 HG23 sing N N 377
THR OXT HXT sing N N 378
TRP N CA sing N N 379
TRP N H sing N N 380
TRP N H2 sing N N 381
TRP CA C sing N N 382
TRP CA CB sing N N 383
TRP CA HA sing N N 384
TRP C O doub N N 385
TRP C OXT sing N N 386
TRP CB CG sing N N 387
TRP CB HB2 sing N N 388
TRP CB HB3 sing N N 389
TRP CG CD1 doub Y N 390
TRP CG CD2 sing Y N 391
TRP CD1 NE1 sing Y N 392
TRP CD1 HD1 sing N N 393
TRP CD2 CE2 doub Y N 394
TRP CD2 CE3 sing Y N 395
TRP NE1 CE2 sing Y N 396
TRP NE1 HE1 sing N N 397
TRP CE2 CZ2 sing Y N 398
TRP CE3 CZ3 doub Y N 399
TRP CE3 HE3 sing N N 400
TRP CZ2 CH2 doub Y N 401
TRP CZ2 HZ2 sing N N 402
TRP CZ3 CH2 sing Y N 403
TRP CZ3 HZ3 sing N N 404
TRP CH2 HH2 sing N N 405
TRP OXT HXT sing N N 406
TYR N CA sing N N 407
TYR N H sing N N 408
TYR N H2 sing N N 409
TYR CA C sing N N 410
TYR CA CB sing N N 411
TYR CA HA sing N N 412
TYR C O doub N N 413
TYR C OXT sing N N 414
TYR CB CG sing N N 415
TYR CB HB2 sing N N 416
TYR CB HB3 sing N N 417
TYR CG CD1 doub Y N 418
TYR CG CD2 sing Y N 419
TYR CD1 CE1 sing Y N 420
TYR CD1 HD1 sing N N 421
TYR CD2 CE2 doub Y N 422
TYR CD2 HD2 sing N N 423
TYR CE1 CZ doub Y N 424
TYR CE1 HE1 sing N N 425
TYR CE2 CZ sing Y N 426
TYR CE2 HE2 sing N N 427
TYR CZ OH sing N N 428
TYR OH HH sing N N 429
TYR OXT HXT sing N N 430
VAL N CA sing N N 431
VAL N H sing N N 432
VAL N H2 sing N N 433
VAL CA C sing N N 434
VAL CA CB sing N N 435
VAL CA HA sing N N 436
VAL C O doub N N 437
VAL C OXT sing N N 438
VAL CB CG1 sing N N 439
VAL CB CG2 sing N N 440
VAL CB HB sing N N 441
VAL CG1 HG11 sing N N 442
VAL CG1 HG12 sing N N 443
VAL CG1 HG13 sing N N 444
VAL CG2 HG21 sing N N 445
VAL CG2 HG22 sing N N 446
VAL CG2 HG23 sing N N 447
VAL OXT HXT sing N N 448
#
_pdbx_initial_refinement_model.accession_code ?
_pdbx_initial_refinement_model.id 1
_pdbx_initial_refinement_model.entity_id_list ?
_pdbx_initial_refinement_model.type 'experimental model'
_pdbx_initial_refinement_model.source_name Other
_pdbx_initial_refinement_model.details 'SPERM WHALE MYOGLOBIN 0M, D122N (DEOXY)'
#
_atom_sites.entry_id 102M
_atom_sites.fract_transf_matrix[1][1] 0.010937
_atom_sites.fract_transf_matrix[1][2] 0.006314
_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] 0.012629
_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] 0.021763
_atom_sites.fract_transf_vector[1] 0.00000
_atom_sites.fract_transf_vector[2] 0.00000
_atom_sites.fract_transf_vector[3] 0.00000
#
loop_
_atom_type.symbol
C
FE
N
O
S
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.B_iso_or_equiv
_atom_site.pdbx_formal_charge
_atom_site.auth_seq_id
_atom_site.auth_comp_id
_atom_site.auth_asym_id
_atom_site.auth_atom_id
_atom_site.pdbx_PDB_model_num
ATOM 1 N N . MET A 1 1 ? 24.512 8.259 -9.688 1.00 33.83 ? 0 MET A N 1
ATOM 2 C CA . MET A 1 1 ? 24.523 9.740 -9.865 1.00 32.90 ? 0 MET A CA 1
ATOM 3 C C . MET A 1 1 ? 25.889 10.228 -10.330 1.00 31.90 ? 0 MET A C 1
ATOM 4 O O . MET A 1 1 ? 26.886 9.516 -10.198 1.00 32.07 ? 0 MET A O 1
ATOM 5 C CB . MET A 1 1 ? 24.143 10.414 -8.560 1.00 34.34 ? 0 MET A CB 1
ATOM 6 C CG . MET A 1 1 ? 24.891 9.880 -7.378 1.00 35.66 ? 0 MET A CG 1
ATOM 7 S SD . MET A 1 1 ? 24.111 10.428 -5.871 1.00 38.66 ? 0 MET A SD 1
ATOM 8 C CE . MET A 1 1 ? 24.454 12.221 -5.988 1.00 36.36 ? 0 MET A CE 1
ATOM 9 N N . VAL A 1 2 ? 25.922 11.435 -10.891 1.00 30.10 ? 1 VAL A N 1
ATOM 10 C CA . VAL A 1 2 ? 27.161 12.020 -11.393 1.00 27.92 ? 1 VAL A CA 1
ATOM 11 C C . VAL A 1 2 ? 27.260 13.522 -11.114 1.00 26.21 ? 1 VAL A C 1
ATOM 12 O O . VAL A 1 2 ? 26.304 14.278 -11.304 1.00 26.54 ? 1 VAL A O 1
ATOM 13 C CB . VAL A 1 2 ? 27.312 11.769 -12.919 1.00 27.99 ? 1 VAL A CB 1
ATOM 14 C CG1 . VAL A 1 2 ? 28.557 12.455 -13.466 1.00 27.68 ? 1 VAL A CG1 1
ATOM 15 C CG2 . VAL A 1 2 ? 27.395 10.282 -13.189 1.00 28.05 ? 1 VAL A CG2 1
ATOM 16 N N . LEU A 1 3 ? 28.407 13.938 -10.599 1.00 23.68 ? 2 LEU A N 1
ATOM 17 C CA . LEU A 1 3 ? 28.641 15.349 -10.324 1.00 20.97 ? 2 LEU A CA 1
ATOM 18 C C . LEU A 1 3 ? 29.285 15.976 -11.549 1.00 19.50 ? 2 LEU A C 1
ATOM 19 O O . LEU A 1 3 ? 29.976 15.300 -12.306 1.00 18.60 ? 2 LEU A O 1
ATOM 20 C CB . LEU A 1 3 ? 29.602 15.516 -9.142 1.00 20.07 ? 2 LEU A CB 1
ATOM 21 C CG . LEU A 1 3 ? 29.003 15.462 -7.742 1.00 19.76 ? 2 LEU A CG 1
ATOM 22 C CD1 . LEU A 1 3 ? 28.734 14.017 -7.356 1.00 18.96 ? 2 LEU A CD1 1
ATOM 23 C CD2 . LEU A 1 3 ? 29.966 16.142 -6.762 1.00 18.40 ? 2 LEU A CD2 1
ATOM 24 N N . SER A 1 4 ? 29.056 17.260 -11.759 1.00 18.20 ? 3 SER A N 1
ATOM 25 C CA . SER A 1 4 ? 29.690 17.929 -12.882 1.00 17.70 ? 3 SER A CA 1
ATOM 26 C C . SER A 1 4 ? 31.086 18.341 -12.420 1.00 17.23 ? 3 SER A C 1
ATOM 27 O O . SER A 1 4 ? 31.404 18.261 -11.230 1.00 16.47 ? 3 SER A O 1
ATOM 28 C CB . SER A 1 4 ? 28.882 19.155 -13.301 1.00 17.59 ? 3 SER A CB 1
ATOM 29 O OG . SER A 1 4 ? 28.766 20.060 -12.225 1.00 17.97 ? 3 SER A OG 1
ATOM 30 N N . GLU A 1 5 ? 31.935 18.742 -13.356 1.00 11.50 ? 4 GLU A N 1
ATOM 31 C CA . GLU A 1 5 ? 33.283 19.175 -13.008 1.00 13.15 ? 4 GLU A CA 1
ATOM 32 C C . GLU A 1 5 ? 33.188 20.387 -12.086 1.00 16.93 ? 4 GLU A C 1
ATOM 33 O O . GLU A 1 5 ? 33.964 20.514 -11.147 1.00 15.15 ? 4 GLU A O 1
ATOM 34 C CB . GLU A 1 5 ? 34.074 19.549 -14.275 1.00 17.13 ? 4 GLU A CB 1
ATOM 35 C CG . GLU A 1 5 ? 35.473 20.111 -14.013 1.00 17.78 ? 4 GLU A CG 1
ATOM 36 C CD . GLU A 1 5 ? 36.414 19.122 -13.332 1.00 19.05 ? 4 GLU A CD 1
ATOM 37 O OE1 . GLU A 1 5 ? 36.132 17.911 -13.343 1.00 29.34 ? 4 GLU A OE1 1
ATOM 38 O OE2 . GLU A 1 5 ? 37.452 19.559 -12.792 1.00 24.04 ? 4 GLU A OE2 1
ATOM 39 N N . GLY A 1 6 ? 32.218 21.261 -12.358 1.00 13.76 ? 5 GLY A N 1
ATOM 40 C CA . GLY A 1 6 ? 32.027 22.458 -11.553 1.00 13.72 ? 5 GLY A CA 1
ATOM 41 C C . GLY A 1 6 ? 31.722 22.137 -10.101 1.00 13.60 ? 5 GLY A C 1
ATOM 42 O O . GLY A 1 6 ? 32.186 22.833 -9.197 1.00 13.74 ? 5 GLY A O 1
ATOM 43 N N . GLU A 1 7 ? 30.937 21.085 -9.881 1.00 12.33 ? 6 GLU A N 1
ATOM 44 C CA . GLU A 1 7 ? 30.587 20.649 -8.531 1.00 9.54 ? 6 GLU A CA 1
ATOM 45 C C . GLU A 1 7 ? 31.812 20.053 -7.832 1.00 12.64 ? 6 GLU A C 1
ATOM 46 O O . GLU A 1 7 ? 32.042 20.319 -6.653 1.00 13.25 ? 6 GLU A O 1
ATOM 47 C CB . GLU A 1 7 ? 29.423 19.652 -8.566 1.00 9.98 ? 6 GLU A CB 1
ATOM 48 C CG . GLU A 1 7 ? 28.072 20.337 -8.823 1.00 14.10 ? 6 GLU A CG 1
ATOM 49 C CD . GLU A 1 7 ? 26.947 19.382 -9.204 1.00 17.07 ? 6 GLU A CD 1
ATOM 50 O OE1 . GLU A 1 7 ? 27.217 18.304 -9.766 1.00 21.59 ? 6 GLU A OE1 1
ATOM 51 O OE2 . GLU A 1 7 ? 25.775 19.730 -8.972 1.00 22.03 ? 6 GLU A OE2 1
ATOM 52 N N . TRP A 1 8 ? 32.609 19.264 -8.558 1.00 11.31 ? 7 TRP A N 1
ATOM 53 C CA . TRP A 1 8 ? 33.822 18.684 -7.971 1.00 11.54 ? 7 TRP A CA 1
ATOM 54 C C . TRP A 1 8 ? 34.783 19.785 -7.573 1.00 11.41 ? 7 TRP A C 1
ATOM 55 O O . TRP A 1 8 ? 35.487 19.667 -6.578 1.00 11.70 ? 7 TRP A O 1
ATOM 56 C CB . TRP A 1 8 ? 34.542 17.741 -8.947 1.00 10.91 ? 7 TRP A CB 1
ATOM 57 C CG . TRP A 1 8 ? 33.913 16.393 -9.007 1.00 11.38 ? 7 TRP A CG 1
ATOM 58 C CD1 . TRP A 1 8 ? 33.327 15.798 -10.103 1.00 10.69 ? 7 TRP A CD1 1
ATOM 59 C CD2 . TRP A 1 8 ? 33.743 15.480 -7.917 1.00 10.51 ? 7 TRP A CD2 1
ATOM 60 N NE1 . TRP A 1 8 ? 32.801 14.590 -9.747 1.00 10.13 ? 7 TRP A NE1 1
ATOM 61 C CE2 . TRP A 1 8 ? 33.037 14.365 -8.414 1.00 11.11 ? 7 TRP A CE2 1
ATOM 62 C CE3 . TRP A 1 8 ? 34.108 15.499 -6.564 1.00 11.05 ? 7 TRP A CE3 1
ATOM 63 C CZ2 . TRP A 1 8 ? 32.683 13.276 -7.603 1.00 10.79 ? 7 TRP A CZ2 1
ATOM 64 C CZ3 . TRP A 1 8 ? 33.756 14.425 -5.760 1.00 11.18 ? 7 TRP A CZ3 1
ATOM 65 C CH2 . TRP A 1 8 ? 33.048 13.327 -6.283 1.00 11.36 ? 7 TRP A CH2 1
ATOM 66 N N . GLN A 1 9 ? 34.826 20.852 -8.365 1.00 11.12 ? 8 GLN A N 1
ATOM 67 C CA . GLN A 1 9 ? 35.725 21.953 -8.069 1.00 11.48 ? 8 GLN A CA 1
ATOM 68 C C . GLN A 1 9 ? 35.347 22.656 -6.772 1.00 11.14 ? 8 GLN A C 1
ATOM 69 O O . GLN A 1 9 ? 36.230 23.079 -6.013 1.00 11.32 ? 8 GLN A O 1
ATOM 70 C CB . GLN A 1 9 ? 35.768 22.938 -9.236 1.00 13.11 ? 8 GLN A CB 1
ATOM 71 C CG . GLN A 1 9 ? 36.551 22.409 -10.426 1.00 21.08 ? 8 GLN A CG 1
ATOM 72 C CD . GLN A 1 9 ? 37.947 21.946 -10.034 1.00 36.83 ? 8 GLN A CD 1
ATOM 73 O OE1 . GLN A 1 9 ? 38.794 22.750 -9.637 1.00 52.61 ? 8 GLN A OE1 1
ATOM 74 N NE2 . GLN A 1 9 ? 38.186 20.640 -10.127 1.00 45.08 ? 8 GLN A NE2 1
ATOM 75 N N . LEU A 1 10 ? 34.045 22.792 -6.528 1.00 10.99 ? 9 LEU A N 1
ATOM 76 C CA . LEU A 1 10 ? 33.564 23.420 -5.293 1.00 10.79 ? 9 LEU A CA 1
ATOM 77 C C . LEU A 1 10 ? 33.953 22.552 -4.096 1.00 10.77 ? 9 LEU A C 1
ATOM 78 O O . LEU A 1 10 ? 34.396 23.067 -3.067 1.00 11.21 ? 9 LEU A O 1
ATOM 79 C CB . LEU A 1 10 ? 32.047 23.616 -5.334 1.00 11.08 ? 9 LEU A CB 1
ATOM 80 C CG . LEU A 1 10 ? 31.566 24.710 -6.296 1.00 11.61 ? 9 LEU A CG 1
ATOM 81 C CD1 . LEU A 1 10 ? 30.043 24.816 -6.291 1.00 12.25 ? 9 LEU A CD1 1
ATOM 82 C CD2 . LEU A 1 10 ? 32.194 26.036 -5.900 1.00 12.75 ? 9 LEU A CD2 1
ATOM 83 N N . VAL A 1 11 ? 33.799 21.237 -4.253 1.00 10.04 ? 10 VAL A N 1
ATOM 84 C CA . VAL A 1 11 ? 34.137 20.255 -3.225 1.00 9.24 ? 10 VAL A CA 1
ATOM 85 C C . VAL A 1 11 ? 35.638 20.262 -2.923 1.00 10.26 ? 10 VAL A C 1
ATOM 86 O O . VAL A 1 11 ? 36.050 20.371 -1.768 1.00 10.31 ? 10 VAL A O 1
ATOM 87 C CB . VAL A 1 11 ? 33.713 18.822 -3.689 1.00 9.55 ? 10 VAL A CB 1
ATOM 88 C CG1 . VAL A 1 11 ? 34.293 17.739 -2.766 1.00 8.54 ? 10 VAL A CG1 1
ATOM 89 C CG2 . VAL A 1 11 ? 32.178 18.716 -3.742 1.00 8.68 ? 10 VAL A CG2 1
ATOM 90 N N . LEU A 1 12 ? 36.460 20.196 -3.963 1.00 10.27 ? 11 LEU A N 1
ATOM 91 C CA . LEU A 1 12 ? 37.908 20.168 -3.769 1.00 11.22 ? 11 LEU A CA 1
ATOM 92 C C . LEU A 1 12 ? 38.481 21.497 -3.309 1.00 11.14 ? 11 LEU A C 1
ATOM 93 O O . LEU A 1 12 ? 39.513 21.524 -2.642 1.00 11.99 ? 11 LEU A O 1
ATOM 94 C CB . LEU A 1 12 ? 38.622 19.660 -5.027 1.00 11.89 ? 11 LEU A CB 1
ATOM 95 C CG . LEU A 1 12 ? 38.154 18.258 -5.426 1.00 12.65 ? 11 LEU A CG 1
ATOM 96 C CD1 . LEU A 1 12 ? 38.812 17.824 -6.713 1.00 13.69 ? 11 LEU A CD1 1
ATOM 97 C CD2 . LEU A 1 12 ? 38.455 17.268 -4.296 1.00 13.06 ? 11 LEU A CD2 1
ATOM 98 N N . HIS A 1 13 ? 37.776 22.587 -3.588 1.00 11.31 ? 12 HIS A N 1
ATOM 99 C CA . HIS A 1 13 ? 38.240 23.898 -3.158 1.00 12.09 ? 12 HIS A CA 1
ATOM 100 C C . HIS A 1 13 ? 38.153 24.025 -1.629 1.00 12.12 ? 12 HIS A C 1
ATOM 101 O O . HIS A 1 13 ? 39.102 24.468 -0.981 1.00 12.27 ? 12 HIS A O 1
ATOM 102 C CB . HIS A 1 13 ? 37.427 25.009 -3.825 1.00 13.44 ? 12 HIS A CB 1
ATOM 103 C CG . HIS A 1 13 ? 37.822 26.382 -3.383 1.00 22.67 ? 12 HIS A CG 1
ATOM 104 N ND1 . HIS A 1 13 ? 39.007 26.998 -3.730 1.00 28.37 ? 12 HIS A ND1 1
ATOM 105 C CD2 . HIS A 1 13 ? 37.183 27.251 -2.559 1.00 25.14 ? 12 HIS A CD2 1
ATOM 106 C CE1 . HIS A 1 13 ? 39.050 28.190 -3.116 1.00 30.02 ? 12 HIS A CE1 1
ATOM 107 N NE2 . HIS A 1 13 ? 37.964 28.390 -2.392 1.00 28.60 ? 12 HIS A NE2 1
ATOM 108 N N . VAL A 1 14 ? 37.019 23.632 -1.054 1.00 11.87 ? 13 VAL A N 1
ATOM 109 C CA . VAL A 1 14 ? 36.863 23.712 0.394 1.00 11.74 ? 13 VAL A CA 1
ATOM 110 C C . VAL A 1 14 ? 37.686 22.603 1.070 1.00 11.21 ? 13 VAL A C 1
ATOM 111 O O . VAL A 1 14 ? 38.228 22.789 2.162 1.00 11.07 ? 13 VAL A O 1
ATOM 112 C CB . VAL A 1 14 ? 35.358 23.686 0.830 1.00 12.76 ? 13 VAL A CB 1
ATOM 113 C CG1 . VAL A 1 14 ? 34.722 22.349 0.528 1.00 13.30 ? 13 VAL A CG1 1
ATOM 114 C CG2 . VAL A 1 14 ? 35.235 23.993 2.330 1.00 13.42 ? 13 VAL A CG2 1
ATOM 115 N N . TRP A 1 15 ? 37.830 21.468 0.391 1.00 10.66 ? 14 TRP A N 1
ATOM 116 C CA . TRP A 1 15 ? 38.624 20.383 0.957 1.00 10.48 ? 14 TRP A CA 1
ATOM 117 C C . TRP A 1 15 ? 40.093 20.791 1.108 1.00 10.37 ? 14 TRP A C 1
ATOM 118 O O . TRP A 1 15 ? 40.761 20.350 2.038 1.00 10.78 ? 14 TRP A O 1
ATOM 119 C CB . TRP A 1 15 ? 38.526 19.112 0.116 1.00 10.76 ? 14 TRP A CB 1
ATOM 120 C CG . TRP A 1 15 ? 38.936 17.916 0.907 1.00 11.28 ? 14 TRP A CG 1
ATOM 121 C CD1 . TRP A 1 15 ? 40.124 17.253 0.832 1.00 11.41 ? 14 TRP A CD1 1
ATOM 122 C CD2 . TRP A 1 15 ? 38.194 17.299 1.973 1.00 11.67 ? 14 TRP A CD2 1
ATOM 123 N NE1 . TRP A 1 15 ? 40.171 16.269 1.796 1.00 11.43 ? 14 TRP A NE1 1
ATOM 124 C CE2 . TRP A 1 15 ? 39.001 16.274 2.505 1.00 11.41 ? 14 TRP A CE2 1
ATOM 125 C CE3 . TRP A 1 15 ? 36.924 17.523 2.529 1.00 12.03 ? 14 TRP A CE3 1
ATOM 126 C CZ2 . TRP A 1 15 ? 38.587 15.466 3.570 1.00 12.35 ? 14 TRP A CZ2 1
ATOM 127 C CZ3 . TRP A 1 15 ? 36.506 16.726 3.588 1.00 12.90 ? 14 TRP A CZ3 1
ATOM 128 C CH2 . TRP A 1 15 ? 37.337 15.704 4.099 1.00 13.02 ? 14 TRP A CH2 1
ATOM 129 N N . ALA A 1 16 ? 40.592 21.637 0.207 1.00 10.07 ? 15 ALA A N 1
ATOM 130 C CA . ALA A 1 16 ? 41.973 22.103 0.279 1.00 9.96 ? 15 ALA A CA 1
ATOM 131 C C . ALA A 1 16 ? 42.169 22.917 1.553 1.00 10.36 ? 15 ALA A C 1
ATOM 132 O O . ALA A 1 16 ? 43.260 22.923 2.123 1.00 10.38 ? 15 ALA A O 1
ATOM 133 C CB . ALA A 1 16 ? 42.315 22.935 -0.939 1.00 10.26 ? 15 ALA A CB 1
ATOM 134 N N . LYS A 1 17 ? 41.096 23.569 2.015 1.00 13.39 ? 16 LYS A N 1
ATOM 135 C CA . LYS A 1 17 ? 41.135 24.359 3.261 1.00 13.19 ? 16 LYS A CA 1
ATOM 136 C C . LYS A 1 17 ? 41.171 23.406 4.455 1.00 13.61 ? 16 LYS A C 1
ATOM 137 O O . LYS A 1 17 ? 41.890 23.637 5.425 1.00 12.40 ? 16 LYS A O 1
ATOM 138 C CB . LYS A 1 17 ? 39.905 25.272 3.385 1.00 11.48 ? 16 LYS A CB 1
ATOM 139 C CG . LYS A 1 17 ? 39.718 26.231 2.243 1.00 12.40 ? 16 LYS A CG 1
ATOM 140 C CD . LYS A 1 17 ? 40.962 27.065 2.043 1.00 19.67 ? 16 LYS A CD 1
ATOM 141 C CE . LYS A 1 17 ? 40.819 27.938 0.807 1.00 40.79 ? 16 LYS A CE 1
ATOM 142 N NZ . LYS A 1 17 ? 42.134 28.445 0.346 1.00 42.91 ? 16 LYS A NZ 1
ATOM 143 N N . VAL A 1 18 ? 40.352 22.358 4.392 1.00 8.93 ? 17 VAL A N 1
ATOM 144 C CA . VAL A 1 18 ? 40.301 21.335 5.430 1.00 8.89 ? 17 VAL A CA 1
ATOM 145 C C . VAL A 1 18 ? 41.690 20.708 5.613 1.00 8.91 ? 17 VAL A C 1
ATOM 146 O O . VAL A 1 18 ? 42.153 20.485 6.738 1.00 9.48 ? 17 VAL A O 1
ATOM 147 C CB . VAL A 1 18 ? 39.297 20.217 5.043 1.00 9.30 ? 17 VAL A CB 1
ATOM 148 C CG1 . VAL A 1 18 ? 39.394 19.032 5.998 1.00 8.84 ? 17 VAL A CG1 1
ATOM 149 C CG2 . VAL A 1 18 ? 37.887 20.779 5.041 1.00 9.56 ? 17 VAL A CG2 1
ATOM 150 N N . GLU A 1 19 ? 42.372 20.447 4.505 1.00 6.61 ? 18 GLU A N 1
ATOM 151 C CA . GLU A 1 19 ? 43.700 19.838 4.568 1.00 9.04 ? 18 GLU A CA 1
ATOM 152 C C . GLU A 1 19 ? 44.805 20.674 5.212 1.00 12.62 ? 18 GLU A C 1
ATOM 153 O O . GLU A 1 19 ? 45.866 20.153 5.526 1.00 12.36 ? 18 GLU A O 1
ATOM 154 C CB . GLU A 1 19 ? 44.130 19.345 3.195 1.00 7.67 ? 18 GLU A CB 1
ATOM 155 C CG . GLU A 1 19 ? 43.394 18.101 2.819 1.00 10.10 ? 18 GLU A CG 1
ATOM 156 C CD . GLU A 1 19 ? 43.770 17.577 1.460 1.00 12.28 ? 18 GLU A CD 1
ATOM 157 O OE1 . GLU A 1 19 ? 44.253 18.345 0.613 1.00 21.78 ? 18 GLU A OE1 1
ATOM 158 O OE2 . GLU A 1 19 ? 43.534 16.388 1.239 1.00 18.35 ? 18 GLU A OE2 1
ATOM 159 N N . ALA A 1 20 ? 44.546 21.954 5.434 1.00 10.19 ? 19 ALA A N 1
ATOM 160 C CA . ALA A 1 20 ? 45.529 22.801 6.083 1.00 10.76 ? 19 ALA A CA 1
ATOM 161 C C . ALA A 1 20 ? 45.596 22.426 7.567 1.00 10.82 ? 19 ALA A C 1
ATOM 162 O O . ALA A 1 20 ? 46.573 22.741 8.244 1.00 11.41 ? 19 ALA A O 1
ATOM 163 C CB . ALA A 1 20 ? 45.158 24.277 5.918 1.00 10.40 ? 19 ALA A CB 1
ATOM 164 N N . ASP A 1 21 ? 44.554 21.753 8.072 1.00 7.53 ? 20 ASP A N 1
ATOM 165 C CA . ASP A 1 21 ? 44.520 21.330 9.477 1.00 6.29 ? 20 ASP A CA 1
ATOM 166 C C . ASP A 1 21 ? 43.688 20.058 9.604 1.00 8.43 ? 20 ASP A C 1
ATOM 167 O O . ASP A 1 21 ? 42.597 20.076 10.167 1.00 9.13 ? 20 ASP A O 1
ATOM 168 C CB . ASP A 1 21 ? 43.926 22.443 10.351 1.00 8.02 ? 20 ASP A CB 1
ATOM 169 C CG . ASP A 1 21 ? 43.806 22.045 11.815 1.00 16.51 ? 20 ASP A CG 1
ATOM 170 O OD1 . ASP A 1 21 ? 44.596 21.205 12.290 1.00 11.97 ? 20 ASP A OD1 1
ATOM 171 O OD2 . ASP A 1 21 ? 42.888 22.560 12.485 1.00 20.93 ? 20 ASP A OD2 1
ATOM 172 N N . VAL A 1 22 ? 44.244 18.940 9.151 1.00 8.87 ? 21 VAL A N 1
ATOM 173 C CA . VAL A 1 22 ? 43.526 17.675 9.178 1.00 9.76 ? 21 VAL A CA 1
ATOM 174 C C . VAL A 1 22 ? 43.119 17.225 10.571 1.00 9.90 ? 21 VAL A C 1
ATOM 175 O O . VAL A 1 22 ? 41.960 16.881 10.803 1.00 10.50 ? 21 VAL A O 1
ATOM 176 C CB . VAL A 1 22 ? 44.323 16.549 8.427 1.00 10.41 ? 21 VAL A CB 1
ATOM 177 C CG1 . VAL A 1 22 ? 43.576 15.215 8.483 1.00 11.55 ? 21 VAL A CG1 1
ATOM 178 C CG2 . VAL A 1 22 ? 44.488 16.939 6.978 1.00 11.00 ? 21 VAL A CG2 1
ATOM 179 N N . ALA A 1 23 ? 44.055 17.261 11.508 1.00 10.03 ? 22 ALA A N 1
ATOM 180 C CA . ALA A 1 23 ? 43.773 16.826 12.872 1.00 10.36 ? 22 ALA A CA 1
ATOM 181 C C . ALA A 1 23 ? 42.692 17.659 13.566 1.00 10.25 ? 22 ALA A C 1
ATOM 182 O O . ALA A 1 23 ? 41.819 17.110 14.235 1.00 10.43 ? 22 ALA A O 1
ATOM 183 C CB . ALA A 1 23 ? 45.061 16.813 13.681 1.00 10.62 ? 22 ALA A CB 1
ATOM 184 N N . GLY A 1 24 ? 42.726 18.974 13.375 1.00 10.00 ? 23 GLY A N 1
ATOM 185 C CA . GLY A 1 24 ? 41.732 19.837 13.995 1.00 9.51 ? 23 GLY A CA 1
ATOM 186 C C . GLY A 1 24 ? 40.331 19.608 13.452 1.00 9.38 ? 23 GLY A C 1
ATOM 187 O O . GLY A 1 24 ? 39.361 19.611 14.213 1.00 9.22 ? 23 GLY A O 1
ATOM 188 N N . HIS A 1 25 ? 40.214 19.429 12.135 1.00 9.06 ? 24 HIS A N 1
ATOM 189 C CA . HIS A 1 25 ? 38.914 19.171 11.524 1.00 8.95 ? 24 HIS A CA 1
ATOM 190 C C . HIS A 1 25 ? 38.451 17.782 11.932 1.00 9.25 ? 24 HIS A C 1
ATOM 191 O O . HIS A 1 25 ? 37.269 17.580 12.166 1.00 9.76 ? 24 HIS A O 1
ATOM 192 C CB . HIS A 1 25 ? 38.985 19.258 10.001 1.00 7.95 ? 24 HIS A CB 1
ATOM 193 C CG . HIS A 1 25 ? 39.063 20.658 9.479 1.00 7.25 ? 24 HIS A CG 1
ATOM 194 N ND1 . HIS A 1 25 ? 40.216 21.408 9.444 1.00 7.49 ? 24 HIS A ND1 1
ATOM 195 C CD2 . HIS A 1 25 ? 38.101 21.437 8.919 1.00 8.45 ? 24 HIS A CD2 1
ATOM 196 C CE1 . HIS A 1 25 ? 39.929 22.587 8.876 1.00 6.61 ? 24 HIS A CE1 1
ATOM 197 N NE2 . HIS A 1 25 ? 38.656 22.652 8.540 1.00 8.20 ? 24 HIS A NE2 1
ATOM 198 N N . GLY A 1 26 ? 39.382 16.830 12.004 1.00 9.59 ? 25 GLY A N 1
ATOM 199 C CA . GLY A 1 26 ? 39.040 15.466 12.411 1.00 9.87 ? 25 GLY A CA 1
ATOM 200 C C . GLY A 1 26 ? 38.425 15.435 13.811 1.00 10.45 ? 25 GLY A C 1
ATOM 201 O O . GLY A 1 26 ? 37.429 14.745 14.041 1.00 10.53 ? 25 GLY A O 1
ATOM 202 N N . GLN A 1 27 ? 39.016 16.175 14.750 1.00 10.50 ? 26 GLN A N 1
ATOM 203 C CA . GLN A 1 27 ? 38.485 16.243 16.111 1.00 10.95 ? 26 GLN A CA 1
ATOM 204 C C . GLN A 1 27 ? 37.101 16.867 16.119 1.00 11.30 ? 26 GLN A C 1
ATOM 205 O O . GLN A 1 27 ? 36.179 16.308 16.705 1.00 11.60 ? 26 GLN A O 1
ATOM 206 C CB . GLN A 1 27 ? 39.377 17.086 17.033 1.00 12.96 ? 26 GLN A CB 1
ATOM 207 C CG . GLN A 1 27 ? 40.637 16.404 17.504 1.00 20.05 ? 26 GLN A CG 1
ATOM 208 C CD . GLN A 1 27 ? 41.507 17.328 18.329 1.00 30.35 ? 26 GLN A CD 1
ATOM 209 O OE1 . GLN A 1 27 ? 42.178 18.210 17.792 1.00 38.63 ? 26 GLN A OE1 1
ATOM 210 N NE2 . GLN A 1 27 ? 41.481 17.146 19.640 1.00 23.38 ? 26 GLN A NE2 1
ATOM 211 N N . ASP A 1 28 ? 36.973 18.046 15.508 1.00 7.68 ? 27 ASP A N 1
ATOM 212 C CA . ASP A 1 28 ? 35.695 18.760 15.452 1.00 7.93 ? 27 ASP A CA 1
ATOM 213 C C . ASP A 1 28 ? 34.561 17.910 14.902 1.00 12.23 ? 27 ASP A C 1
ATOM 214 O O . ASP A 1 28 ? 33.446 17.937 15.419 1.00 8.19 ? 27 ASP A O 1
ATOM 215 C CB . ASP A 1 28 ? 35.815 20.013 14.569 1.00 7.30 ? 27 ASP A CB 1
ATOM 216 C CG . ASP A 1 28 ? 36.572 21.145 15.237 1.00 19.67 ? 27 ASP A CG 1
ATOM 217 O OD1 . ASP A 1 28 ? 36.929 21.034 16.429 1.00 19.56 ? 27 ASP A OD1 1
ATOM 218 O OD2 . ASP A 1 28 ? 36.816 22.160 14.559 1.00 17.34 ? 27 ASP A OD2 1
ATOM 219 N N . ILE A 1 29 ? 34.843 17.189 13.822 1.00 9.35 ? 28 ILE A N 1
ATOM 220 C CA . ILE A 1 29 ? 33.845 16.342 13.178 1.00 9.60 ? 28 ILE A CA 1
ATOM 221 C C . ILE A 1 29 ? 33.388 15.170 14.060 1.00 9.84 ? 28 ILE A C 1
ATOM 222 O O . ILE A 1 29 ? 32.177 14.944 14.233 1.00 9.58 ? 28 ILE A O 1
ATOM 223 C CB . ILE A 1 29 ? 34.372 15.855 11.789 1.00 9.45 ? 28 ILE A CB 1
ATOM 224 C CG1 . ILE A 1 29 ? 34.350 17.040 10.808 1.00 9.63 ? 28 ILE A CG1 1
ATOM 225 C CG2 . ILE A 1 29 ? 33.523 14.694 11.258 1.00 9.65 ? 28 ILE A CG2 1
ATOM 226 C CD1 . ILE A 1 29 ? 35.151 16.829 9.528 1.00 9.98 ? 28 ILE A CD1 1
ATOM 227 N N . LEU A 1 30 ? 34.343 14.443 14.637 1.00 9.88 ? 29 LEU A N 1
ATOM 228 C CA . LEU A 1 30 ? 33.990 13.316 15.493 1.00 10.76 ? 29 LEU A CA 1
ATOM 229 C C . LEU A 1 30 ? 33.271 13.761 16.762 1.00 11.22 ? 29 LEU A C 1
ATOM 230 O O . LEU A 1 30 ? 32.309 13.128 17.186 1.00 11.71 ? 29 LEU A O 1
ATOM 231 C CB . LEU A 1 30 ? 35.211 12.449 15.819 1.00 10.95 ? 29 LEU A CB 1
ATOM 232 C CG . LEU A 1 30 ? 35.723 11.506 14.714 1.00 11.87 ? 29 LEU A CG 1
ATOM 233 C CD1 . LEU A 1 30 ? 36.798 10.593 15.279 1.00 11.72 ? 29 LEU A CD1 1
ATOM 234 C CD2 . LEU A 1 30 ? 34.601 10.652 14.155 1.00 12.25 ? 29 LEU A CD2 1
ATOM 235 N N . ILE A 1 31 ? 33.709 14.864 17.354 1.00 11.43 ? 30 ILE A N 1
ATOM 236 C CA . ILE A 1 31 ? 33.065 15.374 18.560 1.00 11.91 ? 30 ILE A CA 1
ATOM 237 C C . ILE A 1 31 ? 31.627 15.805 18.240 1.00 12.34 ? 30 ILE A C 1
ATOM 238 O O . ILE A 1 31 ? 30.701 15.533 19.010 1.00 12.67 ? 30 ILE A O 1
ATOM 239 C CB . ILE A 1 31 ? 33.870 16.547 19.174 1.00 12.35 ? 30 ILE A CB 1
ATOM 240 C CG1 . ILE A 1 31 ? 35.177 16.004 19.778 1.00 12.43 ? 30 ILE A CG1 1
ATOM 241 C CG2 . ILE A 1 31 ? 33.016 17.295 20.204 1.00 12.10 ? 30 ILE A CG2 1
ATOM 242 C CD1 . ILE A 1 31 ? 36.090 17.047 20.388 1.00 13.25 ? 30 ILE A CD1 1
ATOM 243 N N . ARG A 1 32 ? 31.441 16.457 17.097 1.00 12.52 ? 31 ARG A N 1
ATOM 244 C CA . ARG A 1 32 ? 30.108 16.890 16.660 1.00 13.02 ? 31 ARG A CA 1
ATOM 245 C C . ARG A 1 32 ? 29.220 15.641 16.504 1.00 13.90 ? 31 ARG A C 1
ATOM 246 O O . ARG A 1 32 ? 28.097 15.590 17.031 1.00 13.58 ? 31 ARG A O 1
ATOM 247 C CB . ARG A 1 32 ? 30.250 17.670 15.344 1.00 13.28 ? 31 ARG A CB 1
ATOM 248 C CG . ARG A 1 32 ? 29.002 17.878 14.488 1.00 19.41 ? 31 ARG A CG 1
ATOM 249 C CD . ARG A 1 32 ? 27.742 18.169 15.250 1.00 27.43 ? 31 ARG A CD 1
ATOM 250 N NE . ARG A 1 32 ? 27.775 19.409 15.999 1.00 35.28 ? 31 ARG A NE 1
ATOM 251 C CZ . ARG A 1 32 ? 26.719 20.200 16.157 1.00 57.29 ? 31 ARG A CZ 1
ATOM 252 N NH1 . ARG A 1 32 ? 25.564 19.911 15.563 1.00 45.11 ? 31 ARG A NH1 1
ATOM 253 N NH2 . ARG A 1 32 ? 26.830 21.309 16.873 1.00 59.96 ? 31 ARG A NH2 1
ATOM 254 N N . LEU A 1 33 ? 29.764 14.607 15.855 1.00 13.94 ? 32 LEU A N 1
ATOM 255 C CA . LEU A 1 33 ? 29.038 13.352 15.651 1.00 14.16 ? 32 LEU A CA 1
ATOM 256 C C . LEU A 1 33 ? 28.613 12.719 16.984 1.00 14.58 ? 32 LEU A C 1
ATOM 257 O O . LEU A 1 33 ? 27.457 12.363 17.156 1.00 14.89 ? 32 LEU A O 1
ATOM 258 C CB . LEU A 1 33 ? 29.909 12.355 14.871 1.00 13.94 ? 32 LEU A CB 1
ATOM 259 C CG . LEU A 1 33 ? 29.369 10.926 14.735 1.00 14.29 ? 32 LEU A CG 1
ATOM 260 C CD1 . LEU A 1 33 ? 28.142 10.932 13.858 1.00 14.01 ? 32 LEU A CD1 1
ATOM 261 C CD2 . LEU A 1 33 ? 30.418 10.000 14.141 1.00 14.52 ? 32 LEU A CD2 1
ATOM 262 N N . PHE A 1 34 ? 29.552 12.604 17.925 1.00 14.72 ? 33 PHE A N 1
ATOM 263 C CA . PHE A 1 34 ? 29.281 11.985 19.227 1.00 14.83 ? 33 PHE A CA 1
ATOM 264 C C . PHE A 1 34 ? 28.328 12.779 20.104 1.00 15.92 ? 33 PHE A C 1
ATOM 265 O O . PHE A 1 34 ? 27.591 12.196 20.902 1.00 17.20 ? 33 PHE A O 1
ATOM 266 C CB . PHE A 1 34 ? 30.582 11.728 19.983 1.00 13.93 ? 33 PHE A CB 1
ATOM 267 C CG . PHE A 1 34 ? 31.542 10.831 19.257 1.00 13.76 ? 33 PHE A CG 1
ATOM 268 C CD1 . PHE A 1 34 ? 31.079 9.781 18.465 1.00 13.40 ? 33 PHE A CD1 1
ATOM 269 C CD2 . PHE A 1 34 ? 32.919 11.024 19.379 1.00 13.45 ? 33 PHE A CD2 1
ATOM 270 C CE1 . PHE A 1 34 ? 31.976 8.934 17.802 1.00 13.10 ? 33 PHE A CE1 1
ATOM 271 C CE2 . PHE A 1 34 ? 33.820 10.186 18.722 1.00 13.51 ? 33 PHE A CE2 1
ATOM 272 C CZ . PHE A 1 34 ? 33.346 9.137 17.930 1.00 13.06 ? 33 PHE A CZ 1
ATOM 273 N N . LYS A 1 35 ? 28.340 14.102 19.976 1.00 18.34 ? 34 LYS A N 1
ATOM 274 C CA . LYS A 1 35 ? 27.444 14.928 20.777 1.00 19.64 ? 34 LYS A CA 1
ATOM 275 C C . LYS A 1 35 ? 26.039 14.876 20.217 1.00 21.06 ? 34 LYS A C 1
ATOM 276 O O . LYS A 1 35 ? 25.067 14.866 20.969 1.00 29.46 ? 34 LYS A O 1
ATOM 277 C CB . LYS A 1 35 ? 27.928 16.379 20.847 1.00 16.26 ? 34 LYS A CB 1
ATOM 278 C CG . LYS A 1 35 ? 29.202 16.549 21.658 1.00 34.93 ? 34 LYS A CG 1
ATOM 279 C CD . LYS A 1 35 ? 29.371 17.972 22.177 1.00 53.53 ? 34 LYS A CD 1
ATOM 280 C CE . LYS A 1 35 ? 29.393 18.972 21.046 1.00 56.86 ? 34 LYS A CE 1
ATOM 281 N NZ . LYS A 1 35 ? 29.855 20.321 21.475 1.00 65.56 ? 34 LYS A NZ 1
ATOM 282 N N . SER A 1 36 ? 25.937 14.833 18.892 1.00 20.96 ? 35 SER A N 1
ATOM 283 C CA . SER A 1 36 ? 24.648 14.788 18.218 1.00 20.74 ? 35 SER A CA 1
ATOM 284 C C . SER A 1 36 ? 24.014 13.398 18.263 1.00 20.45 ? 35 SER A C 1
ATOM 285 O O . SER A 1 36 ? 22.804 13.267 18.404 1.00 20.62 ? 35 SER A O 1
ATOM 286 C CB . SER A 1 36 ? 24.810 15.229 16.765 1.00 21.30 ? 35 SER A CB 1
ATOM 287 O OG . SER A 1 36 ? 25.385 16.521 16.692 1.00 22.82 ? 35 SER A OG 1
ATOM 288 N N . HIS A 1 37 ? 24.842 12.366 18.133 1.00 20.00 ? 36 HIS A N 1
ATOM 289 C CA . HIS A 1 37 ? 24.378 10.977 18.138 1.00 19.63 ? 36 HIS A CA 1
ATOM 290 C C . HIS A 1 37 ? 25.296 10.109 18.982 1.00 19.65 ? 36 HIS A C 1
ATOM 291 O O . HIS A 1 37 ? 26.090 9.334 18.452 1.00 19.33 ? 36 HIS A O 1
ATOM 292 C CB . HIS A 1 37 ? 24.312 10.435 16.708 1.00 18.90 ? 36 HIS A CB 1
ATOM 293 C CG . HIS A 1 37 ? 23.572 11.329 15.762 1.00 18.39 ? 36 HIS A CG 1
ATOM 294 N ND1 . HIS A 1 37 ? 22.206 11.339 15.614 1.00 16.51 ? 36 HIS A ND1 1
ATOM 295 C CD2 . HIS A 1 37 ? 24.038 12.258 14.891 1.00 18.40 ? 36 HIS A CD2 1
ATOM 296 C CE1 . HIS A 1 37 ? 21.896 12.244 14.681 1.00 16.71 ? 36 HIS A CE1 1
ATOM 297 N NE2 . HIS A 1 37 ? 22.976 12.830 14.209 1.00 19.04 ? 36 HIS A NE2 1
ATOM 298 N N . PRO A 1 38 ? 25.154 10.193 20.319 1.00 19.63 ? 37 PRO A N 1
ATOM 299 C CA . PRO A 1 38 ? 25.939 9.451 21.311 1.00 19.68 ? 37 PRO A CA 1
ATOM 300 C C . PRO A 1 38 ? 26.026 7.946 21.071 1.00 19.56 ? 37 PRO A C 1
ATOM 301 O O . PRO A 1 38 ? 26.986 7.305 21.482 1.00 20.20 ? 37 PRO A O 1
ATOM 302 C CB . PRO A 1 38 ? 25.207 9.760 22.615 1.00 19.69 ? 37 PRO A CB 1
ATOM 303 C CG . PRO A 1 38 ? 24.661 11.130 22.382 1.00 19.80 ? 37 PRO A CG 1
ATOM 304 C CD . PRO A 1 38 ? 24.124 11.017 20.985 1.00 19.86 ? 37 PRO A CD 1
ATOM 305 N N . GLU A 1 39 ? 25.022 7.378 20.418 1.00 20.16 ? 38 GLU A N 1
ATOM 306 C CA . GLU A 1 39 ? 25.023 5.942 20.150 1.00 21.01 ? 38 GLU A CA 1
ATOM 307 C C . GLU A 1 39 ? 26.216 5.553 19.284 1.00 18.90 ? 38 GLU A C 1
ATOM 308 O O . GLU A 1 39 ? 26.776 4.471 19.436 1.00 25.42 ? 38 GLU A O 1
ATOM 309 C CB . GLU A 1 39 ? 23.703 5.504 19.492 1.00 21.02 ? 38 GLU A CB 1
ATOM 310 C CG . GLU A 1 39 ? 23.432 6.096 18.118 1.00 23.43 ? 38 GLU A CG 1
ATOM 311 C CD . GLU A 1 39 ? 22.488 7.291 18.141 1.00 39.47 ? 38 GLU A CD 1
ATOM 312 O OE1 . GLU A 1 39 ? 22.567 8.140 19.059 1.00 28.80 ? 38 GLU A OE1 1
ATOM 313 O OE2 . GLU A 1 39 ? 21.657 7.382 17.215 1.00 48.16 ? 38 GLU A OE2 1
ATOM 314 N N . THR A 1 40 ? 26.641 6.466 18.416 1.00 16.62 ? 39 THR A N 1
ATOM 315 C CA . THR A 1 40 ? 27.777 6.204 17.532 1.00 16.61 ? 39 THR A CA 1
ATOM 316 C C . THR A 1 40 ? 29.101 6.024 18.279 1.00 16.75 ? 39 THR A C 1
ATOM 317 O O . THR A 1 40 ? 29.984 5.322 17.788 1.00 17.23 ? 39 THR A O 1
ATOM 318 C CB . THR A 1 40 ? 27.955 7.311 16.458 1.00 16.17 ? 39 THR A CB 1
ATOM 319 O OG1 . THR A 1 40 ? 28.228 8.565 17.100 1.00 15.49 ? 39 THR A OG1 1
ATOM 320 C CG2 . THR A 1 40 ? 26.703 7.434 15.608 1.00 15.50 ? 39 THR A CG2 1
ATOM 321 N N . LEU A 1 41 ? 29.239 6.635 19.458 1.00 16.76 ? 40 LEU A N 1
ATOM 322 C CA . LEU A 1 41 ? 30.477 6.512 20.235 1.00 17.15 ? 40 LEU A CA 1
ATOM 323 C C . LEU A 1 41 ? 30.736 5.069 20.675 1.00 17.08 ? 40 LEU A C 1
ATOM 324 O O . LEU A 1 41 ? 31.880 4.651 20.800 1.00 17.31 ? 40 LEU A O 1
ATOM 325 C CB . LEU A 1 41 ? 30.434 7.422 21.471 1.00 17.88 ? 40 LEU A CB 1
ATOM 326 C CG . LEU A 1 41 ? 31.620 7.370 22.448 1.00 17.91 ? 40 LEU A CG 1
ATOM 327 C CD1 . LEU A 1 41 ? 32.919 7.686 21.725 1.00 18.31 ? 40 LEU A CD1 1
ATOM 328 C CD2 . LEU A 1 41 ? 31.397 8.349 23.585 1.00 18.47 ? 40 LEU A CD2 1
ATOM 329 N N . GLU A 1 42 ? 29.663 4.307 20.867 1.00 19.30 ? 41 GLU A N 1
ATOM 330 C CA . GLU A 1 42 ? 29.757 2.916 21.294 1.00 19.98 ? 41 GLU A CA 1
ATOM 331 C C . GLU A 1 42 ? 30.523 2.004 20.340 1.00 29.73 ? 41 GLU A C 1
ATOM 332 O O . GLU A 1 42 ? 31.046 0.967 20.752 1.00 28.01 ? 41 GLU A O 1
ATOM 333 C CB . GLU A 1 42 ? 28.358 2.356 21.533 1.00 24.27 ? 41 GLU A CB 1
ATOM 334 C CG . GLU A 1 42 ? 27.630 3.040 22.678 1.00 47.51 ? 41 GLU A CG 1
ATOM 335 C CD . GLU A 1 42 ? 26.249 2.473 22.930 1.00 53.88 ? 41 GLU A CD 1
ATOM 336 O OE1 . GLU A 1 42 ? 25.421 2.463 21.992 1.00 62.95 ? 41 GLU A OE1 1
ATOM 337 O OE2 . GLU A 1 42 ? 25.986 2.052 24.076 1.00 71.39 ? 41 GLU A OE2 1
ATOM 338 N N . LYS A 1 43 ? 30.608 2.392 19.072 1.00 22.48 ? 42 LYS A N 1
ATOM 339 C CA . LYS A 1 43 ? 31.309 1.567 18.097 1.00 18.14 ? 42 LYS A CA 1
ATOM 340 C C . LYS A 1 43 ? 32.816 1.608 18.262 1.00 18.29 ? 42 LYS A C 1
ATOM 341 O O . LYS A 1 43 ? 33.516 0.698 17.820 1.00 25.30 ? 42 LYS A O 1
ATOM 342 C CB . LYS A 1 43 ? 30.914 1.974 16.674 1.00 17.13 ? 42 LYS A CB 1
ATOM 343 C CG . LYS A 1 43 ? 29.463 1.728 16.363 1.00 15.46 ? 42 LYS A CG 1
ATOM 344 C CD . LYS A 1 43 ? 29.202 0.241 16.224 1.00 23.35 ? 42 LYS A CD 1
ATOM 345 C CE . LYS A 1 43 ? 27.737 -0.048 15.968 1.00 30.11 ? 42 LYS A CE 1
ATOM 346 N NZ . LYS A 1 43 ? 27.525 -1.503 15.709 1.00 34.01 ? 42 LYS A NZ 1
ATOM 347 N N . PHE A 1 44 ? 33.315 2.665 18.896 1.00 21.08 ? 43 PHE A N 1
ATOM 348 C CA . PHE A 1 44 ? 34.747 2.827 19.101 1.00 21.46 ? 43 PHE A CA 1
ATOM 349 C C . PHE A 1 44 ? 35.178 2.328 20.476 1.00 22.05 ? 43 PHE A C 1
ATOM 350 O O . PHE A 1 44 ? 35.291 3.108 21.425 1.00 22.45 ? 43 PHE A O 1
ATOM 351 C CB . PHE A 1 44 ? 35.151 4.291 18.924 1.00 20.42 ? 43 PHE A CB 1
ATOM 352 C CG . PHE A 1 44 ? 34.890 4.835 17.545 1.00 20.19 ? 43 PHE A CG 1
ATOM 353 C CD1 . PHE A 1 44 ? 33.641 5.333 17.205 1.00 20.09 ? 43 PHE A CD1 1
ATOM 354 C CD2 . PHE A 1 44 ? 35.914 4.904 16.606 1.00 20.17 ? 43 PHE A CD2 1
ATOM 355 C CE1 . PHE A 1 44 ? 33.412 5.898 15.959 1.00 19.97 ? 43 PHE A CE1 1
ATOM 356 C CE2 . PHE A 1 44 ? 35.695 5.469 15.354 1.00 20.09 ? 43 PHE A CE2 1
ATOM 357 C CZ . PHE A 1 44 ? 34.446 5.969 15.030 1.00 20.05 ? 43 PHE A CZ 1
ATOM 358 N N . ASP A 1 45 ? 35.471 1.032 20.558 1.00 27.52 ? 44 ASP A N 1
ATOM 359 C CA . ASP A 1 45 ? 35.885 0.393 21.804 1.00 31.74 ? 44 ASP A CA 1
ATOM 360 C C . ASP A 1 45 ? 37.062 1.075 22.475 1.00 31.70 ? 44 ASP A C 1
ATOM 361 O O . ASP A 1 45 ? 37.148 1.115 23.700 1.00 34.32 ? 44 ASP A O 1
ATOM 362 C CB . ASP A 1 45 ? 36.226 -1.078 21.556 1.00 38.96 ? 44 ASP A CB 1
ATOM 363 C CG . ASP A 1 45 ? 35.065 -1.850 20.977 1.00 53.66 ? 44 ASP A CG 1
ATOM 364 O OD1 . ASP A 1 45 ? 33.965 -1.801 21.567 1.00 59.37 ? 44 ASP A OD1 1
ATOM 365 O OD2 . ASP A 1 45 ? 35.246 -2.497 19.924 1.00 66.33 ? 44 ASP A OD2 1
ATOM 366 N N . ARG A 1 46 ? 37.949 1.639 21.666 1.00 28.24 ? 45 ARG A N 1
ATOM 367 C CA . ARG A 1 46 ? 39.128 2.303 22.179 1.00 28.34 ? 45 ARG A CA 1
ATOM 368 C C . ARG A 1 46 ? 38.821 3.495 23.081 1.00 28.19 ? 45 ARG A C 1
ATOM 369 O O . ARG A 1 46 ? 39.501 3.698 24.081 1.00 28.78 ? 45 ARG A O 1
ATOM 370 C CB . ARG A 1 46 ? 40.037 2.737 21.029 1.00 29.69 ? 45 ARG A CB 1
ATOM 371 C CG . ARG A 1 46 ? 41.460 2.234 21.171 1.00 37.74 ? 45 ARG A CG 1
ATOM 372 C CD . ARG A 1 46 ? 42.428 2.973 20.256 1.00 47.49 ? 45 ARG A CD 1
ATOM 373 N NE . ARG A 1 46 ? 42.306 2.586 18.854 1.00 52.74 ? 45 ARG A NE 1
ATOM 374 C CZ . ARG A 1 46 ? 42.350 3.441 17.833 1.00 82.62 ? 45 ARG A CZ 1
ATOM 375 N NH1 . ARG A 1 46 ? 42.474 4.749 18.043 1.00 70.09 ? 45 ARG A NH1 1
ATOM 376 N NH2 . ARG A 1 46 ? 42.245 2.988 16.591 1.00 86.55 ? 45 ARG A NH2 1
ATOM 377 N N . PHE A 1 47 ? 37.788 4.265 22.762 1.00 27.54 ? 46 PHE A N 1
ATOM 378 C CA . PHE A 1 47 ? 37.467 5.434 23.576 1.00 27.01 ? 46 PHE A CA 1
ATOM 379 C C . PHE A 1 47 ? 35.976 5.616 23.858 1.00 26.87 ? 46 PHE A C 1
ATOM 380 O O . PHE A 1 47 ? 35.494 6.721 24.094 1.00 26.72 ? 46 PHE A O 1
ATOM 381 C CB . PHE A 1 47 ? 38.087 6.702 22.962 1.00 26.34 ? 46 PHE A CB 1
ATOM 382 C CG . PHE A 1 47 ? 37.809 6.876 21.489 1.00 25.48 ? 46 PHE A CG 1
ATOM 383 C CD1 . PHE A 1 47 ? 36.614 7.438 21.053 1.00 25.12 ? 46 PHE A CD1 1
ATOM 384 C CD2 . PHE A 1 47 ? 38.759 6.503 20.541 1.00 25.41 ? 46 PHE A CD2 1
ATOM 385 C CE1 . PHE A 1 47 ? 36.371 7.627 19.701 1.00 25.43 ? 46 PHE A CE1 1
ATOM 386 C CE2 . PHE A 1 47 ? 38.522 6.690 19.178 1.00 25.11 ? 46 PHE A CE2 1
ATOM 387 C CZ . PHE A 1 47 ? 37.328 7.253 18.760 1.00 24.66 ? 46 PHE A CZ 1
ATOM 388 N N . LYS A 1 48 ? 35.269 4.494 23.894 1.00 29.85 ? 47 LYS A N 1
ATOM 389 C CA . LYS A 1 48 ? 33.839 4.446 24.167 1.00 17.53 ? 47 LYS A CA 1
ATOM 390 C C . LYS A 1 48 ? 33.491 4.984 25.568 1.00 25.95 ? 47 LYS A C 1
ATOM 391 O O . LYS A 1 48 ? 32.357 5.374 25.824 1.00 25.55 ? 47 LYS A O 1
ATOM 392 C CB . LYS A 1 48 ? 33.397 2.986 24.021 1.00 20.85 ? 47 LYS A CB 1
ATOM 393 C CG . LYS A 1 48 ? 32.116 2.595 24.700 1.00 47.91 ? 47 LYS A CG 1
ATOM 394 C CD . LYS A 1 48 ? 31.765 1.152 24.372 1.00 47.69 ? 47 LYS A CD 1
ATOM 395 C CE . LYS A 1 48 ? 32.885 0.201 24.751 1.00 39.50 ? 47 LYS A CE 1
ATOM 396 N NZ . LYS A 1 48 ? 32.549 -1.194 24.356 1.00 66.09 ? 47 LYS A NZ 1
ATOM 397 N N . HIS A 1 49 ? 34.486 5.033 26.451 1.00 20.86 ? 48 HIS A N 1
ATOM 398 C CA . HIS A 1 49 ? 34.304 5.486 27.833 1.00 21.06 ? 48 HIS A CA 1
ATOM 399 C C . HIS A 1 49 ? 34.320 7.009 28.073 1.00 21.22 ? 48 HIS A C 1
ATOM 400 O O . HIS A 1 49 ? 34.045 7.463 29.194 1.00 21.39 ? 48 HIS A O 1
ATOM 401 C CB . HIS A 1 49 ? 35.377 4.843 28.708 1.00 20.17 ? 48 HIS A CB 1
ATOM 402 C CG . HIS A 1 49 ? 36.762 5.241 28.324 1.00 24.11 ? 48 HIS A CG 1
ATOM 403 N ND1 . HIS A 1 49 ? 37.331 4.959 27.100 1.00 27.82 ? 48 HIS A ND1 1
ATOM 404 C CD2 . HIS A 1 49 ? 37.674 5.995 28.988 1.00 25.21 ? 48 HIS A CD2 1
ATOM 405 C CE1 . HIS A 1 49 ? 38.537 5.541 27.054 1.00 28.13 ? 48 HIS A CE1 1
ATOM 406 N NE2 . HIS A 1 49 ? 38.793 6.183 28.177 1.00 31.30 ? 48 HIS A NE2 1
ATOM 407 N N . LEU A 1 50 ? 34.688 7.792 27.059 1.00 20.97 ? 49 LEU A N 1
ATOM 408 C CA . LEU A 1 50 ? 34.741 9.252 27.205 1.00 20.81 ? 49 LEU A CA 1
ATOM 409 C C . LEU A 1 50 ? 33.363 9.790 27.554 1.00 20.61 ? 49 LEU A C 1
ATOM 410 O O . LEU A 1 50 ? 32.373 9.462 26.904 1.00 20.40 ? 49 LEU A O 1
ATOM 411 C CB . LEU A 1 50 ? 35.281 9.911 25.934 1.00 21.23 ? 49 LEU A CB 1
ATOM 412 C CG . LEU A 1 50 ? 36.624 9.372 25.431 1.00 21.36 ? 49 LEU A CG 1
ATOM 413 C CD1 . LEU A 1 50 ? 37.025 10.087 24.158 1.00 21.66 ? 49 LEU A CD1 1
ATOM 414 C CD2 . LEU A 1 50 ? 37.694 9.537 26.494 1.00 22.17 ? 49 LEU A CD2 1
ATOM 415 N N . LYS A 1 51 ? 33.311 10.592 28.614 1.00 23.19 ? 50 LYS A N 1
ATOM 416 C CA . LYS A 1 51 ? 32.056 11.148 29.124 1.00 26.12 ? 50 LYS A CA 1
ATOM 417 C C . LYS A 1 51 ? 31.734 12.582 28.729 1.00 19.75 ? 50 LYS A C 1
ATOM 418 O O . LYS A 1 51 ? 30.561 12.936 28.611 1.00 27.56 ? 50 LYS A O 1
ATOM 419 C CB . LYS A 1 51 ? 32.033 11.065 30.656 1.00 27.93 ? 50 LYS A CB 1
ATOM 420 C CG . LYS A 1 51 ? 32.205 9.664 31.236 1.00 22.56 ? 50 LYS A CG 1
ATOM 421 C CD . LYS A 1 51 ? 32.397 9.745 32.751 1.00 29.71 ? 50 LYS A CD 1
ATOM 422 C CE . LYS A 1 51 ? 32.597 8.376 33.394 1.00 33.46 ? 50 LYS A CE 1
ATOM 423 N NZ . LYS A 1 51 ? 31.358 7.553 33.362 1.00 31.20 ? 50 LYS A NZ 1
ATOM 424 N N . THR A 1 52 ? 32.761 13.406 28.541 1.00 17.64 ? 51 THR A N 1
ATOM 425 C CA . THR A 1 52 ? 32.540 14.811 28.207 1.00 17.69 ? 51 THR A CA 1
ATOM 426 C C . THR A 1 52 ? 33.324 15.294 27.000 1.00 17.46 ? 51 THR A C 1
ATOM 427 O O . THR A 1 52 ? 34.255 14.636 26.556 1.00 17.20 ? 51 THR A O 1
ATOM 428 C CB . THR A 1 52 ? 32.941 15.708 29.386 1.00 18.05 ? 51 THR A CB 1
ATOM 429 O OG1 . THR A 1 52 ? 34.360 15.651 29.558 1.00 17.93 ? 51 THR A OG1 1
ATOM 430 C CG2 . THR A 1 52 ? 32.265 15.247 30.672 1.00 18.36 ? 51 THR A CG2 1
ATOM 431 N N . GLU A 1 53 ? 32.991 16.495 26.531 1.00 17.62 ? 52 GLU A N 1
ATOM 432 C CA . GLU A 1 53 ? 33.674 17.089 25.393 1.00 17.54 ? 52 GLU A CA 1
ATOM 433 C C . GLU A 1 53 ? 35.108 17.400 25.743 1.00 21.52 ? 52 GLU A C 1
ATOM 434 O O . GLU A 1 53 ? 35.985 17.301 24.892 1.00 20.36 ? 52 GLU A O 1
ATOM 435 C CB . GLU A 1 53 ? 32.981 18.365 24.919 1.00 19.57 ? 52 GLU A CB 1
ATOM 436 C CG . GLU A 1 53 ? 33.720 19.033 23.757 1.00 25.46 ? 52 GLU A CG 1
ATOM 437 C CD . GLU A 1 53 ? 32.907 20.112 23.059 1.00 34.52 ? 52 GLU A CD 1
ATOM 438 O OE1 . GLU A 1 53 ? 31.807 20.445 23.538 1.00 34.99 ? 52 GLU A OE1 1
ATOM 439 O OE2 . GLU A 1 53 ? 33.367 20.617 22.013 1.00 39.37 ? 52 GLU A OE2 1
ATOM 440 N N . ALA A 1 54 ? 35.343 17.787 26.996 1.00 15.37 ? 53 ALA A N 1
ATOM 441 C CA . ALA A 1 54 ? 36.688 18.089 27.453 1.00 15.13 ? 53 ALA A CA 1
ATOM 442 C C . ALA A 1 54 ? 37.543 16.838 27.340 1.00 15.08 ? 53 ALA A C 1
ATOM 443 O O . ALA A 1 54 ? 38.692 16.903 26.918 1.00 15.49 ? 53 ALA A O 1
ATOM 444 C CB . ALA A 1 54 ? 36.665 18.581 28.900 1.00 15.35 ? 53 ALA A CB 1
ATOM 445 N N . GLU A 1 55 ? 37.001 15.697 27.750 1.00 14.76 ? 54 GLU A N 1
ATOM 446 C CA . GLU A 1 55 ? 37.754 14.447 27.653 1.00 12.01 ? 54 GLU A CA 1
ATOM 447 C C . GLU A 1 55 ? 38.007 14.084 26.193 1.00 13.92 ? 54 GLU A C 1
ATOM 448 O O . GLU A 1 55 ? 39.091 13.628 25.840 1.00 16.91 ? 54 GLU A O 1
ATOM 449 C CB . GLU A 1 55 ? 37.012 13.318 28.349 1.00 14.48 ? 54 GLU A CB 1
ATOM 450 C CG . GLU A 1 55 ? 37.169 13.386 29.849 1.00 26.43 ? 54 GLU A CG 1
ATOM 451 C CD . GLU A 1 55 ? 36.329 12.375 30.591 1.00 25.73 ? 54 GLU A CD 1
ATOM 452 O OE1 . GLU A 1 55 ? 35.543 11.658 29.949 1.00 31.69 ? 54 GLU A OE1 1
ATOM 453 O OE2 . GLU A 1 55 ? 36.450 12.312 31.831 1.00 32.06 ? 54 GLU A OE2 1
ATOM 454 N N . MET A 1 56 ? 37.008 14.300 25.348 1.00 16.12 ? 55 MET A N 1
ATOM 455 C CA . MET A 1 56 ? 37.144 14.011 23.920 1.00 16.52 ? 55 MET A CA 1
ATOM 456 C C . MET A 1 56 ? 38.235 14.878 23.279 1.00 16.13 ? 55 MET A C 1
ATOM 457 O O . MET A 1 56 ? 39.064 14.380 22.512 1.00 15.55 ? 55 MET A O 1
ATOM 458 C CB . MET A 1 56 ? 35.809 14.235 23.208 1.00 17.00 ? 55 MET A CB 1
ATOM 459 C CG . MET A 1 56 ? 34.780 13.162 23.508 1.00 18.13 ? 55 MET A CG 1
ATOM 460 S SD . MET A 1 56 ? 33.194 13.514 22.756 1.00 20.02 ? 55 MET A SD 1
ATOM 461 C CE . MET A 1 56 ? 32.134 12.411 23.734 1.00 19.47 ? 55 MET A CE 1
ATOM 462 N N . LYS A 1 57 ? 38.259 16.160 23.636 1.00 14.64 ? 56 LYS A N 1
ATOM 463 C CA . LYS A 1 57 ? 39.245 17.094 23.089 1.00 19.54 ? 56 LYS A CA 1
ATOM 464 C C . LYS A 1 57 ? 40.662 16.723 23.470 1.00 22.06 ? 56 LYS A C 1
ATOM 465 O O . LYS A 1 57 ? 41.604 16.981 22.722 1.00 23.54 ? 56 LYS A O 1
ATOM 466 C CB . LYS A 1 57 ? 38.972 18.515 23.580 1.00 20.18 ? 56 LYS A CB 1
ATOM 467 C CG . LYS A 1 57 ? 37.814 19.216 22.912 1.00 33.45 ? 56 LYS A CG 1
ATOM 468 C CD . LYS A 1 57 ? 37.654 20.603 23.507 1.00 39.86 ? 56 LYS A CD 1
ATOM 469 C CE . LYS A 1 57 ? 36.505 21.355 22.883 1.00 61.63 ? 56 LYS A CE 1
ATOM 470 N NZ . LYS A 1 57 ? 36.276 22.653 23.577 1.00 74.51 ? 56 LYS A NZ 1
ATOM 471 N N . ALA A 1 58 ? 40.798 16.113 24.642 1.00 18.72 ? 57 ALA A N 1
ATOM 472 C CA . ALA A 1 58 ? 42.087 15.711 25.182 1.00 18.55 ? 57 ALA A CA 1
ATOM 473 C C . ALA A 1 58 ? 42.570 14.350 24.715 1.00 18.49 ? 57 ALA A C 1
ATOM 474 O O . ALA A 1 58 ? 43.726 14.012 24.894 1.00 19.22 ? 57 ALA A O 1
ATOM 475 C CB . ALA A 1 58 ? 42.018 15.735 26.704 1.00 18.54 ? 57 ALA A CB 1
ATOM 476 N N . SER A 1 59 ? 41.688 13.572 24.103 1.00 18.63 ? 58 SER A N 1
ATOM 477 C CA . SER A 1 59 ? 42.033 12.232 23.658 1.00 18.19 ? 58 SER A CA 1
ATOM 478 C C . SER A 1 59 ? 42.875 12.150 22.390 1.00 18.90 ? 58 SER A C 1
ATOM 479 O O . SER A 1 59 ? 42.458 12.586 21.319 1.00 19.29 ? 58 SER A O 1
ATOM 480 C CB . SER A 1 59 ? 40.762 11.408 23.488 1.00 17.72 ? 58 SER A CB 1
ATOM 481 O OG . SER A 1 59 ? 41.088 10.108 23.053 1.00 17.54 ? 58 SER A OG 1
ATOM 482 N N . GLU A 1 60 ? 44.052 11.548 22.515 1.00 20.60 ? 59 GLU A N 1
ATOM 483 C CA . GLU A 1 60 ? 44.953 11.377 21.386 1.00 21.93 ? 59 GLU A CA 1
ATOM 484 C C . GLU A 1 60 ? 44.398 10.305 20.448 1.00 19.73 ? 59 GLU A C 1
ATOM 485 O O . GLU A 1 60 ? 44.576 10.378 19.236 1.00 21.80 ? 59 GLU A O 1
ATOM 486 C CB . GLU A 1 60 ? 46.341 10.976 21.888 1.00 29.78 ? 59 GLU A CB 1
ATOM 487 C CG . GLU A 1 60 ? 47.460 11.873 21.392 1.00 54.96 ? 59 GLU A CG 1
ATOM 488 C CD . GLU A 1 60 ? 47.238 13.337 21.726 1.00 61.96 ? 59 GLU A CD 1
ATOM 489 O OE1 . GLU A 1 60 ? 46.893 13.655 22.886 1.00 67.45 ? 59 GLU A OE1 1
ATOM 490 O OE2 . GLU A 1 60 ? 47.419 14.173 20.820 1.00 50.71 ? 59 GLU A OE2 1
ATOM 491 N N . ASP A 1 61 ? 43.723 9.310 21.020 1.00 15.00 ? 60 ASP A N 1
ATOM 492 C CA . ASP A 1 61 ? 43.131 8.238 20.236 1.00 12.99 ? 60 ASP A CA 1
ATOM 493 C C . ASP A 1 61 ? 42.008 8.748 19.348 1.00 15.44 ? 60 ASP A C 1
ATOM 494 O O . ASP A 1 61 ? 41.856 8.285 18.221 1.00 18.84 ? 60 ASP A O 1
ATOM 495 C CB . ASP A 1 61 ? 42.574 7.138 21.138 1.00 16.99 ? 60 ASP A CB 1
ATOM 496 C CG . ASP A 1 61 ? 43.650 6.195 21.647 1.00 29.43 ? 60 ASP A CG 1
ATOM 497 O OD1 . ASP A 1 61 ? 44.687 6.025 20.969 1.00 34.12 ? 60 ASP A OD1 1
ATOM 498 O OD2 . ASP A 1 61 ? 43.447 5.614 22.728 1.00 38.12 ? 60 ASP A OD2 1
ATOM 499 N N . LEU A 1 62 ? 41.192 9.662 19.871 1.00 13.77 ? 61 LEU A N 1
ATOM 500 C CA . LEU A 1 62 ? 40.079 10.213 19.098 1.00 13.73 ? 61 LEU A CA 1
ATOM 501 C C . LEU A 1 62 ? 40.640 11.089 17.978 1.00 13.86 ? 61 LEU A C 1
ATOM 502 O O . LEU A 1 62 ? 40.180 11.019 16.833 1.00 13.70 ? 61 LEU A O 1
ATOM 503 C CB . LEU A 1 62 ? 39.120 11.003 20.003 1.00 13.68 ? 61 LEU A CB 1
ATOM 504 C CG . LEU A 1 62 ? 37.849 11.616 19.397 1.00 13.93 ? 61 LEU A CG 1
ATOM 505 C CD1 . LEU A 1 62 ? 36.768 11.702 20.459 1.00 14.27 ? 61 LEU A CD1 1
ATOM 506 C CD2 . LEU A 1 62 ? 38.141 13.005 18.842 1.00 13.83 ? 61 LEU A CD2 1
ATOM 507 N N . LYS A 1 63 ? 41.663 11.882 18.296 1.00 8.72 ? 62 LYS A N 1
ATOM 508 C CA . LYS A 1 63 ? 42.278 12.735 17.277 1.00 14.29 ? 62 LYS A CA 1
ATOM 509 C C . LYS A 1 63 ? 42.819 11.880 16.133 1.00 15.68 ? 62 LYS A C 1
ATOM 510 O O . LYS A 1 63 ? 42.600 12.195 14.969 1.00 13.87 ? 62 LYS A O 1
ATOM 511 C CB . LYS A 1 63 ? 43.405 13.597 17.866 1.00 18.20 ? 62 LYS A CB 1
ATOM 512 C CG . LYS A 1 63 ? 44.117 14.455 16.821 1.00 18.75 ? 62 LYS A CG 1
ATOM 513 C CD . LYS A 1 63 ? 44.745 15.685 17.434 1.00 40.62 ? 62 LYS A CD 1
ATOM 514 C CE . LYS A 1 63 ? 45.886 15.330 18.356 1.00 53.65 ? 62 LYS A CE 1
ATOM 515 N NZ . LYS A 1 63 ? 46.316 16.500 19.177 1.00 60.51 ? 62 LYS A NZ 1
ATOM 516 N N . LYS A 1 64 ? 43.477 10.772 16.471 1.00 10.66 ? 63 LYS A N 1
ATOM 517 C CA . LYS A 1 64 ? 44.028 9.882 15.451 1.00 13.30 ? 63 LYS A CA 1
ATOM 518 C C . LYS A 1 64 ? 42.929 9.268 14.585 1.00 10.41 ? 63 LYS A C 1
ATOM 519 O O . LYS A 1 64 ? 43.103 9.082 13.388 1.00 14.16 ? 63 LYS A O 1
ATOM 520 C CB . LYS A 1 64 ? 44.883 8.784 16.090 1.00 21.76 ? 63 LYS A CB 1
ATOM 521 C CG . LYS A 1 64 ? 46.102 9.333 16.844 1.00 43.10 ? 63 LYS A CG 1
ATOM 522 C CD . LYS A 1 64 ? 47.195 8.279 17.047 1.00 63.52 ? 63 LYS A CD 1
ATOM 523 C CE . LYS A 1 64 ? 46.857 7.259 18.126 1.00 72.49 ? 63 LYS A CE 1
ATOM 524 N NZ . LYS A 1 64 ? 47.059 7.801 19.497 1.00 81.47 ? 63 LYS A NZ 1
ATOM 525 N N . ALA A 1 65 ? 41.795 8.953 15.196 1.00 11.10 ? 64 ALA A N 1
ATOM 526 C CA . ALA A 1 65 ? 40.678 8.361 14.468 1.00 10.65 ? 64 ALA A CA 1
ATOM 527 C C . ALA A 1 65 ? 40.121 9.380 13.472 1.00 10.82 ? 64 ALA A C 1
ATOM 528 O O . ALA A 1 65 ? 39.698 9.019 12.376 1.00 10.68 ? 64 ALA A O 1
ATOM 529 C CB . ALA A 1 65 ? 39.591 7.936 15.445 1.00 10.54 ? 64 ALA A CB 1
ATOM 530 N N . GLY A 1 66 ? 40.087 10.645 13.892 1.00 10.58 ? 65 GLY A N 1
ATOM 531 C CA . GLY A 1 66 ? 39.592 11.714 13.039 1.00 10.18 ? 65 GLY A CA 1
ATOM 532 C C . GLY A 1 66 ? 40.507 11.907 11.839 1.00 10.33 ? 65 GLY A C 1
ATOM 533 O O . GLY A 1 66 ? 40.024 12.106 10.731 1.00 10.03 ? 65 GLY A O 1
ATOM 534 N N . VAL A 1 67 ? 41.822 11.849 12.057 1.00 9.96 ? 66 VAL A N 1
ATOM 535 C CA . VAL A 1 67 ? 42.787 12.005 10.970 1.00 10.73 ? 66 VAL A CA 1
ATOM 536 C C . VAL A 1 67 ? 42.626 10.848 9.987 1.00 10.72 ? 66 VAL A C 1
ATOM 537 O O . VAL A 1 67 ? 42.689 11.038 8.777 1.00 11.43 ? 66 VAL A O 1
ATOM 538 C CB . VAL A 1 67 ? 44.246 12.051 11.501 1.00 10.75 ? 66 VAL A CB 1
ATOM 539 C CG1 . VAL A 1 67 ? 45.249 11.916 10.336 1.00 11.02 ? 66 VAL A CG1 1
ATOM 540 C CG2 . VAL A 1 67 ? 44.495 13.367 12.246 1.00 10.52 ? 66 VAL A CG2 1
ATOM 541 N N . THR A 1 68 ? 42.366 9.662 10.513 1.00 10.64 ? 67 THR A N 1
ATOM 542 C CA . THR A 1 68 ? 42.178 8.476 9.680 1.00 10.82 ? 67 THR A CA 1
ATOM 543 C C . THR A 1 68 ? 40.926 8.618 8.809 1.00 10.20 ? 67 THR A C 1
ATOM 544 O O . THR A 1 68 ? 40.942 8.329 7.606 1.00 10.05 ? 67 THR A O 1
ATOM 545 C CB . THR A 1 68 ? 42.088 7.232 10.571 1.00 11.70 ? 67 THR A CB 1
ATOM 546 O OG1 . THR A 1 68 ? 43.336 7.077 11.262 1.00 12.96 ? 67 THR A OG1 1
ATOM 547 C CG2 . THR A 1 68 ? 41.802 5.974 9.759 1.00 11.99 ? 67 THR A CG2 1
ATOM 548 N N . VAL A 1 69 ? 39.851 9.108 9.402 1.00 10.09 ? 68 VAL A N 1
ATOM 549 C CA . VAL A 1 69 ? 38.609 9.291 8.664 1.00 9.84 ? 68 VAL A CA 1
ATOM 550 C C . VAL A 1 69 ? 38.788 10.296 7.525 1.00 10.25 ? 68 VAL A C 1
ATOM 551 O O . VAL A 1 69 ? 38.418 10.033 6.371 1.00 9.81 ? 68 VAL A O 1
ATOM 552 C CB . VAL A 1 69 ? 37.472 9.776 9.604 1.00 10.58 ? 68 VAL A CB 1
ATOM 553 C CG1 . VAL A 1 69 ? 36.277 10.303 8.793 1.00 10.49 ? 68 VAL A CG1 1
ATOM 554 C CG2 . VAL A 1 69 ? 37.018 8.631 10.474 1.00 10.64 ? 68 VAL A CG2 1
ATOM 555 N N . LEU A 1 70 ? 39.375 11.444 7.838 1.00 10.19 ? 69 LEU A N 1
ATOM 556 C CA . LEU A 1 70 ? 39.557 12.480 6.826 1.00 10.49 ? 69 LEU A CA 1
ATOM 557 C C . LEU A 1 70 ? 40.539 12.139 5.729 1.00 10.34 ? 69 LEU A C 1
ATOM 558 O O . LEU A 1 70 ? 40.320 12.505 4.579 1.00 10.71 ? 69 LEU A O 1
ATOM 559 C CB . LEU A 1 70 ? 39.907 13.824 7.461 1.00 11.16 ? 69 LEU A CB 1
ATOM 560 C CG . LEU A 1 70 ? 38.813 14.427 8.339 1.00 12.35 ? 69 LEU A CG 1
ATOM 561 C CD1 . LEU A 1 70 ? 39.243 15.834 8.732 1.00 12.65 ? 69 LEU A CD1 1
ATOM 562 C CD2 . LEU A 1 70 ? 37.478 14.464 7.601 1.00 13.73 ? 69 LEU A CD2 1
ATOM 563 N N . THR A 1 71 ? 41.619 11.453 6.075 1.00 9.99 ? 70 THR A N 1
ATOM 564 C CA . THR A 1 71 ? 42.606 11.058 5.084 1.00 10.46 ? 70 THR A CA 1
ATOM 565 C C . THR A 1 71 ? 41.970 10.066 4.103 1.00 10.27 ? 70 THR A C 1
ATOM 566 O O . THR A 1 71 ? 42.177 10.171 2.896 1.00 10.51 ? 70 THR A O 1
ATOM 567 C CB . THR A 1 71 ? 43.842 10.427 5.765 1.00 11.25 ? 70 THR A CB 1
ATOM 568 O OG1 . THR A 1 71 ? 44.436 11.401 6.633 1.00 12.10 ? 70 THR A OG1 1
ATOM 569 C CG2 . THR A 1 71 ? 44.877 9.988 4.725 1.00 12.16 ? 70 THR A CG2 1
ATOM 570 N N . ALA A 1 72 ? 41.180 9.118 4.610 1.00 9.68 ? 71 ALA A N 1
ATOM 571 C CA . ALA A 1 72 ? 40.525 8.141 3.731 1.00 9.74 ? 71 ALA A CA 1
ATOM 572 C C . ALA A 1 72 ? 39.451 8.811 2.860 1.00 9.86 ? 71 ALA A C 1
ATOM 573 O O . ALA A 1 72 ? 39.358 8.552 1.667 1.00 10.25 ? 71 ALA A O 1
ATOM 574 C CB . ALA A 1 72 ? 39.912 7.027 4.548 1.00 8.94 ? 71 ALA A CB 1
ATOM 575 N N . LEU A 1 73 ? 38.650 9.689 3.458 1.00 10.05 ? 72 LEU A N 1
ATOM 576 C CA . LEU A 1 73 ? 37.599 10.384 2.724 1.00 10.08 ? 72 LEU A CA 1
ATOM 577 C C . LEU A 1 73 ? 38.204 11.328 1.687 1.00 9.95 ? 72 LEU A C 1
ATOM 578 O O . LEU A 1 73 ? 37.706 11.435 0.569 1.00 10.46 ? 72 LEU A O 1
ATOM 579 C CB . LEU A 1 73 ? 36.698 11.156 3.690 1.00 10.55 ? 72 LEU A CB 1
ATOM 580 C CG . LEU A 1 73 ? 35.546 11.915 3.032 1.00 11.55 ? 72 LEU A CG 1
ATOM 581 C CD1 . LEU A 1 73 ? 34.687 10.941 2.228 1.00 12.61 ? 72 LEU A CD1 1
ATOM 582 C CD2 . LEU A 1 73 ? 34.711 12.658 4.091 1.00 12.72 ? 72 LEU A CD2 1
ATOM 583 N N . GLY A 1 74 ? 39.300 11.978 2.048 1.00 9.89 ? 73 GLY A N 1
ATOM 584 C CA . GLY A 1 74 ? 39.958 12.885 1.123 1.00 10.36 ? 73 GLY A CA 1
ATOM 585 C C . GLY A 1 74 ? 40.455 12.148 -0.107 1.00 10.40 ? 73 GLY A C 1
ATOM 586 O O . GLY A 1 74 ? 40.346 12.651 -1.222 1.00 10.37 ? 73 GLY A O 1
ATOM 587 N N . ALA A 1 75 ? 40.976 10.941 0.081 1.00 10.61 ? 74 ALA A N 1
ATOM 588 C CA . ALA A 1 75 ? 41.494 10.163 -1.048 1.00 11.32 ? 74 ALA A CA 1
ATOM 589 C C . ALA A 1 75 ? 40.356 9.795 -2.001 1.00 11.30 ? 74 ALA A C 1
ATOM 590 O O . ALA A 1 75 ? 40.520 9.801 -3.229 1.00 12.20 ? 74 ALA A O 1
ATOM 591 C CB . ALA A 1 75 ? 42.214 8.917 -0.548 1.00 11.47 ? 74 ALA A CB 1
ATOM 592 N N . ILE A 1 76 ? 39.193 9.526 -1.423 1.00 10.72 ? 75 ILE A N 1
ATOM 593 C CA . ILE A 1 76 ? 38.004 9.168 -2.184 1.00 10.41 ? 75 ILE A CA 1
ATOM 594 C C . ILE A 1 76 ? 37.489 10.375 -2.968 1.00 10.39 ? 75 ILE A C 1
ATOM 595 O O . ILE A 1 76 ? 37.261 10.288 -4.171 1.00 10.65 ? 75 ILE A O 1
ATOM 596 C CB . ILE A 1 76 ? 36.909 8.579 -1.229 1.00 10.59 ? 75 ILE A CB 1
ATOM 597 C CG1 . ILE A 1 76 ? 37.318 7.155 -0.817 1.00 10.45 ? 75 ILE A CG1 1
ATOM 598 C CG2 . ILE A 1 76 ? 35.523 8.568 -1.888 1.00 9.92 ? 75 ILE A CG2 1
ATOM 599 C CD1 . ILE A 1 76 ? 36.584 6.618 0.393 1.00 12.29 ? 75 ILE A CD1 1
ATOM 600 N N . LEU A 1 77 ? 37.367 11.520 -2.309 1.00 9.93 ? 76 LEU A N 1
ATOM 601 C CA . LEU A 1 77 ? 36.873 12.713 -2.989 1.00 9.64 ? 76 LEU A CA 1
ATOM 602 C C . LEU A 1 77 ? 37.765 13.147 -4.150 1.00 10.08 ? 76 LEU A C 1
ATOM 603 O O . LEU A 1 77 ? 37.269 13.585 -5.186 1.00 10.23 ? 76 LEU A O 1
ATOM 604 C CB . LEU A 1 77 ? 36.703 13.860 -1.999 1.00 9.03 ? 76 LEU A CB 1
ATOM 605 C CG . LEU A 1 77 ? 35.641 13.696 -0.916 1.00 9.98 ? 76 LEU A CG 1
ATOM 606 C CD1 . LEU A 1 77 ? 35.747 14.894 0.036 1.00 10.06 ? 76 LEU A CD1 1
ATOM 607 C CD2 . LEU A 1 77 ? 34.228 13.618 -1.528 1.00 9.33 ? 76 LEU A CD2 1
ATOM 608 N N . LYS A 1 78 ? 39.081 13.023 -3.985 1.00 6.59 ? 77 LYS A N 1
ATOM 609 C CA . LYS A 1 78 ? 40.007 13.419 -5.041 1.00 6.32 ? 77 LYS A CA 1
ATOM 610 C C . LYS A 1 78 ? 39.931 12.539 -6.281 1.00 12.36 ? 77 LYS A C 1
ATOM 611 O O . LYS A 1 78 ? 40.459 12.904 -7.320 1.00 12.12 ? 77 LYS A O 1
ATOM 612 C CB . LYS A 1 78 ? 41.435 13.489 -4.508 1.00 10.42 ? 77 LYS A CB 1
ATOM 613 C CG . LYS A 1 78 ? 41.635 14.621 -3.510 1.00 13.56 ? 77 LYS A CG 1
ATOM 614 C CD . LYS A 1 78 ? 42.938 14.460 -2.765 1.00 12.31 ? 77 LYS A CD 1
ATOM 615 C CE . LYS A 1 78 ? 43.140 15.595 -1.799 1.00 19.75 ? 77 LYS A CE 1
ATOM 616 N NZ . LYS A 1 78 ? 44.455 15.492 -1.115 1.00 21.72 ? 77 LYS A NZ 1
ATOM 617 N N . LYS A 1 79 ? 39.288 11.374 -6.168 1.00 12.38 ? 78 LYS A N 1
ATOM 618 C CA . LYS A 1 79 ? 39.110 10.475 -7.319 1.00 13.90 ? 78 LYS A CA 1
ATOM 619 C C . LYS A 1 79 ? 37.963 10.966 -8.203 1.00 14.28 ? 78 LYS A C 1
ATOM 620 O O . LYS A 1 79 ? 37.730 10.435 -9.289 1.00 15.58 ? 78 LYS A O 1
ATOM 621 C CB . LYS A 1 79 ? 38.811 9.032 -6.873 1.00 11.74 ? 78 LYS A CB 1
ATOM 622 C CG . LYS A 1 79 ? 39.925 8.360 -6.070 1.00 20.95 ? 78 LYS A CG 1
ATOM 623 C CD . LYS A 1 79 ? 41.294 8.474 -6.744 1.00 25.45 ? 78 LYS A CD 1
ATOM 624 C CE . LYS A 1 79 ? 41.363 7.699 -8.048 1.00 29.25 ? 78 LYS A CE 1
ATOM 625 N NZ . LYS A 1 79 ? 41.213 6.242 -7.823 1.00 51.61 ? 78 LYS A NZ 1
ATOM 626 N N . LYS A 1 80 ? 37.200 11.926 -7.687 1.00 7.71 ? 79 LYS A N 1
ATOM 627 C CA . LYS A 1 80 ? 36.080 12.514 -8.413 1.00 9.68 ? 79 LYS A CA 1
ATOM 628 C C . LYS A 1 80 ? 35.095 11.490 -8.979 1.00 14.76 ? 79 LYS A C 1
ATOM 629 O O . LYS A 1 80 ? 34.706 11.553 -10.146 1.00 13.18 ? 79 LYS A O 1
ATOM 630 C CB . LYS A 1 80 ? 36.609 13.452 -9.508 1.00 9.57 ? 79 LYS A CB 1
ATOM 631 C CG . LYS A 1 80 ? 37.354 14.648 -8.941 1.00 13.96 ? 79 LYS A CG 1
ATOM 632 C CD . LYS A 1 80 ? 38.263 15.304 -9.945 1.00 22.47 ? 79 LYS A CD 1
ATOM 633 C CE . LYS A 1 80 ? 37.497 15.907 -11.080 1.00 27.28 ? 79 LYS A CE 1
ATOM 634 N NZ . LYS A 1 80 ? 38.412 16.719 -11.940 1.00 38.86 ? 79 LYS A NZ 1
ATOM 635 N N . GLY A 1 81 ? 34.696 10.542 -8.138 1.00 11.55 ? 80 GLY A N 1
ATOM 636 C CA . GLY A 1 81 ? 33.734 9.535 -8.554 1.00 11.69 ? 80 GLY A CA 1
ATOM 637 C C . GLY A 1 81 ? 34.297 8.194 -9.002 1.00 12.40 ? 80 GLY A C 1
ATOM 638 O O . GLY A 1 81 ? 33.560 7.206 -9.030 1.00 12.61 ? 80 GLY A O 1
ATOM 639 N N . HIS A 1 82 ? 35.579 8.147 -9.363 1.00 12.24 ? 81 HIS A N 1
ATOM 640 C CA . HIS A 1 82 ? 36.215 6.911 -9.823 1.00 12.56 ? 81 HIS A CA 1
ATOM 641 C C . HIS A 1 82 ? 36.891 6.297 -8.621 1.00 12.80 ? 81 HIS A C 1
ATOM 642 O O . HIS A 1 82 ? 38.101 6.113 -8.604 1.00 13.05 ? 81 HIS A O 1
ATOM 643 C CB . HIS A 1 82 ? 37.251 7.260 -10.889 1.00 13.85 ? 81 HIS A CB 1
ATOM 644 C CG . HIS A 1 82 ? 36.662 7.872 -12.126 1.00 17.82 ? 81 HIS A CG 1
ATOM 645 N ND1 . HIS A 1 82 ? 36.554 9.228 -12.348 1.00 20.01 ? 81 HIS A ND1 1
ATOM 646 C CD2 . HIS A 1 82 ? 36.152 7.280 -13.235 1.00 14.86 ? 81 HIS A CD2 1
ATOM 647 C CE1 . HIS A 1 82 ? 35.999 9.404 -13.555 1.00 18.63 ? 81 HIS A CE1 1
ATOM 648 N NE2 . HIS A 1 82 ? 35.736 8.247 -14.132 1.00 20.38 ? 81 HIS A NE2 1
ATOM 649 N N . HIS A 1 83 ? 36.084 5.919 -7.639 1.00 13.33 ? 82 HIS A N 1
ATOM 650 C CA . HIS A 1 83 ? 36.603 5.426 -6.359 1.00 13.54 ? 82 HIS A CA 1
ATOM 651 C C . HIS A 1 83 ? 36.306 3.973 -6.001 1.00 13.89 ? 82 HIS A C 1
ATOM 652 O O . HIS A 1 83 ? 36.385 3.590 -4.827 1.00 14.05 ? 82 HIS A O 1
ATOM 653 C CB . HIS A 1 83 ? 36.043 6.330 -5.254 1.00 10.72 ? 82 HIS A CB 1
ATOM 654 C CG . HIS A 1 83 ? 34.554 6.447 -5.288 1.00 10.65 ? 82 HIS A CG 1
ATOM 655 N ND1 . HIS A 1 83 ? 33.864 7.624 -5.108 1.00 12.53 ? 82 HIS A ND1 1
ATOM 656 C CD2 . HIS A 1 83 ? 33.608 5.503 -5.528 1.00 11.94 ? 82 HIS A CD2 1
ATOM 657 C CE1 . HIS A 1 83 ? 32.556 7.360 -5.240 1.00 14.48 ? 82 HIS A CE1 1
ATOM 658 N NE2 . HIS A 1 83 ? 32.350 6.084 -5.498 1.00 14.32 ? 82 HIS A NE2 1
ATOM 659 N N . GLU A 1 84 ? 35.936 3.173 -6.990 1.00 16.30 ? 83 GLU A N 1
ATOM 660 C CA . GLU A 1 84 ? 35.622 1.774 -6.734 1.00 17.14 ? 83 GLU A CA 1
ATOM 661 C C . GLU A 1 84 ? 36.715 1.037 -5.965 1.00 21.36 ? 83 GLU A C 1
ATOM 662 O O . GLU A 1 84 ? 36.423 0.370 -4.975 1.00 17.53 ? 83 GLU A O 1
ATOM 663 C CB . GLU A 1 84 ? 35.260 1.039 -8.037 1.00 23.83 ? 83 GLU A CB 1
ATOM 664 C CG . GLU A 1 84 ? 36.100 1.399 -9.273 1.00 53.77 ? 83 GLU A CG 1
ATOM 665 C CD . GLU A 1 84 ? 35.798 2.788 -9.860 1.00 57.01 ? 83 GLU A CD 1
ATOM 666 O OE1 . GLU A 1 84 ? 34.656 3.285 -9.704 1.00 57.45 ? 83 GLU A OE1 1
ATOM 667 O OE2 . GLU A 1 84 ? 36.714 3.384 -10.472 1.00 42.54 ? 83 GLU A OE2 1
ATOM 668 N N . ALA A 1 85 ? 37.976 1.227 -6.357 1.00 21.49 ? 84 ALA A N 1
ATOM 669 C CA . ALA A 1 85 ? 39.091 0.564 -5.684 1.00 21.34 ? 84 ALA A CA 1
ATOM 670 C C . ALA A 1 85 ? 39.243 0.969 -4.229 1.00 21.53 ? 84 ALA A C 1
ATOM 671 O O . ALA A 1 85 ? 39.506 0.127 -3.376 1.00 21.57 ? 84 ALA A O 1
ATOM 672 C CB . ALA A 1 85 ? 40.380 0.815 -6.422 1.00 21.47 ? 84 ALA A CB 1
ATOM 673 N N . GLU A 1 86 ? 39.111 2.261 -3.948 1.00 17.24 ? 85 GLU A N 1
ATOM 674 C CA . GLU A 1 86 ? 39.228 2.769 -2.577 1.00 19.87 ? 85 GLU A CA 1
ATOM 675 C C . GLU A 1 86 ? 38.078 2.320 -1.680 1.00 22.45 ? 85 GLU A C 1
ATOM 676 O O . GLU A 1 86 ? 38.260 2.141 -0.476 1.00 21.28 ? 85 GLU A O 1
ATOM 677 C CB . GLU A 1 86 ? 39.269 4.310 -2.560 1.00 18.49 ? 85 GLU A CB 1
ATOM 678 C CG . GLU A 1 86 ? 40.553 4.931 -3.088 1.00 20.74 ? 85 GLU A CG 1
ATOM 679 C CD . GLU A 1 86 ? 40.709 4.778 -4.590 1.00 29.20 ? 85 GLU A CD 1
ATOM 680 O OE1 . GLU A 1 86 ? 39.687 4.790 -5.305 1.00 26.33 ? 85 GLU A OE1 1
ATOM 681 O OE2 . GLU A 1 86 ? 41.855 4.652 -5.061 1.00 43.47 ? 85 GLU A OE2 1
ATOM 682 N N . LEU A 1 87 ? 36.903 2.139 -2.275 1.00 18.57 ? 86 LEU A N 1
ATOM 683 C CA . LEU A 1 87 ? 35.707 1.759 -1.543 1.00 18.89 ? 86 LEU A CA 1
ATOM 684 C C . LEU A 1 87 ? 35.621 0.315 -1.065 1.00 18.82 ? 86 LEU A C 1
ATOM 685 O O . LEU A 1 87 ? 34.994 0.033 -0.051 1.00 18.14 ? 86 LEU A O 1
ATOM 686 C CB . LEU A 1 87 ? 34.480 2.057 -2.399 1.00 20.41 ? 86 LEU A CB 1
ATOM 687 C CG . LEU A 1 87 ? 33.370 2.879 -1.763 1.00 21.85 ? 86 LEU A CG 1
ATOM 688 C CD1 . LEU A 1 87 ? 33.883 4.279 -1.451 1.00 22.52 ? 86 LEU A CD1 1
ATOM 689 C CD2 . LEU A 1 87 ? 32.206 2.957 -2.741 1.00 22.72 ? 86 LEU A CD2 1
ATOM 690 N N . LYS A 1 88 ? 36.228 -0.602 -1.806 1.00 16.40 ? 87 LYS A N 1
ATOM 691 C CA . LYS A 1 88 ? 36.169 -2.019 -1.465 1.00 15.31 ? 87 LYS A CA 1
ATOM 692 C C . LYS A 1 88 ? 36.625 -2.407 -0.054 1.00 14.49 ? 87 LYS A C 1
ATOM 693 O O . LYS A 1 88 ? 35.848 -2.969 0.717 1.00 16.10 ? 87 LYS A O 1
ATOM 694 C CB . LYS A 1 88 ? 36.912 -2.832 -2.526 1.00 15.87 ? 87 LYS A CB 1
ATOM 695 C CG . LYS A 1 88 ? 36.326 -2.639 -3.891 1.00 32.93 ? 87 LYS A CG 1
ATOM 696 C CD . LYS A 1 88 ? 37.231 -3.154 -4.987 1.00 48.07 ? 87 LYS A CD 1
ATOM 697 C CE . LYS A 1 88 ? 37.152 -4.652 -5.116 1.00 45.65 ? 87 LYS A CE 1
ATOM 698 N NZ . LYS A 1 88 ? 37.633 -5.076 -6.461 1.00 47.04 ? 87 LYS A NZ 1
ATOM 699 N N . PRO A 1 89 ? 37.877 -2.090 0.314 1.00 13.98 ? 88 PRO A N 1
ATOM 700 C CA . PRO A 1 89 ? 38.327 -2.458 1.655 1.00 13.58 ? 88 PRO A CA 1
ATOM 701 C C . PRO A 1 89 ? 37.568 -1.720 2.754 1.00 13.66 ? 88 PRO A C 1
ATOM 702 O O . PRO A 1 89 ? 37.344 -2.266 3.835 1.00 13.81 ? 88 PRO A O 1
ATOM 703 C CB . PRO A 1 89 ? 39.812 -2.089 1.621 1.00 14.37 ? 88 PRO A CB 1
ATOM 704 C CG . PRO A 1 89 ? 39.871 -0.954 0.629 1.00 14.03 ? 88 PRO A CG 1
ATOM 705 C CD . PRO A 1 89 ? 38.953 -1.426 -0.448 1.00 14.51 ? 88 PRO A CD 1
ATOM 706 N N . LEU A 1 90 ? 37.162 -0.485 2.467 1.00 13.19 ? 89 LEU A N 1
ATOM 707 C CA . LEU A 1 90 ? 36.431 0.338 3.422 1.00 13.03 ? 89 LEU A CA 1
ATOM 708 C C . LEU A 1 90 ? 35.046 -0.252 3.702 1.00 12.64 ? 89 LEU A C 1
ATOM 709 O O . LEU A 1 90 ? 34.594 -0.307 4.848 1.00 12.09 ? 89 LEU A O 1
ATOM 710 C CB . LEU A 1 90 ? 36.291 1.751 2.844 1.00 14.71 ? 89 LEU A CB 1
ATOM 711 C CG . LEU A 1 90 ? 35.582 2.798 3.690 1.00 16.03 ? 89 LEU A CG 1
ATOM 712 C CD1 . LEU A 1 90 ? 36.384 3.014 4.977 1.00 17.45 ? 89 LEU A CD1 1
ATOM 713 C CD2 . LEU A 1 90 ? 35.472 4.095 2.894 1.00 17.33 ? 89 LEU A CD2 1
ATOM 714 N N . ALA A 1 91 ? 34.366 -0.676 2.643 1.00 11.94 ? 90 ALA A N 1
ATOM 715 C CA . ALA A 1 91 ? 33.038 -1.264 2.766 1.00 11.43 ? 90 ALA A CA 1
ATOM 716 C C . ALA A 1 91 ? 33.174 -2.580 3.501 1.00 11.36 ? 90 ALA A C 1
ATOM 717 O O . ALA A 1 91 ? 32.392 -2.881 4.394 1.00 10.87 ? 90 ALA A O 1
ATOM 718 C CB . ALA A 1 91 ? 32.440 -1.489 1.395 1.00 12.18 ? 90 ALA A CB 1
ATOM 719 N N . GLN A 1 92 ? 34.206 -3.351 3.176 1.00 11.20 ? 91 GLN A N 1
ATOM 720 C CA . GLN A 1 92 ? 34.378 -4.627 3.869 1.00 11.15 ? 91 GLN A CA 1
ATOM 721 C C . GLN A 1 92 ? 34.607 -4.487 5.370 1.00 11.16 ? 91 GLN A C 1
ATOM 722 O O . GLN A 1 92 ? 33.958 -5.168 6.150 1.00 11.00 ? 91 GLN A O 1
ATOM 723 C CB . GLN A 1 92 ? 35.493 -5.483 3.263 1.00 11.20 ? 91 GLN A CB 1
ATOM 724 C CG . GLN A 1 92 ? 35.580 -6.851 3.948 1.00 13.56 ? 91 GLN A CG 1
ATOM 725 C CD . GLN A 1 92 ? 36.645 -7.749 3.361 1.00 19.17 ? 91 GLN A CD 1
ATOM 726 O OE1 . GLN A 1 92 ? 37.748 -7.309 3.086 1.00 14.73 ? 91 GLN A OE1 1
ATOM 727 N NE2 . GLN A 1 92 ? 36.321 -9.022 3.188 1.00 11.18 ? 91 GLN A NE2 1
ATOM 728 N N . SER A 1 93 ? 35.530 -3.629 5.792 1.00 11.05 ? 92 SER A N 1
ATOM 729 C CA . SER A 1 93 ? 35.759 -3.488 7.229 1.00 11.24 ? 92 SER A CA 1
ATOM 730 C C . SER A 1 93 ? 34.571 -2.885 7.976 1.00 11.52 ? 92 SER A C 1
ATOM 731 O O . SER A 1 93 ? 34.223 -3.342 9.064 1.00 11.73 ? 92 SER A O 1
ATOM 732 C CB . SER A 1 93 ? 37.018 -2.678 7.511 1.00 11.25 ? 92 SER A CB 1
ATOM 733 O OG . SER A 1 93 ? 36.847 -1.334 7.112 1.00 12.35 ? 92 SER A OG 1
ATOM 734 N N . HIS A 1 94 ? 33.919 -1.882 7.400 1.00 11.27 ? 93 HIS A N 1
ATOM 735 C CA . HIS A 1 94 ? 32.792 -1.265 8.094 1.00 11.80 ? 93 HIS A CA 1
ATOM 736 C C . HIS A 1 94 ? 31.525 -2.108 8.145 1.00 12.25 ? 93 HIS A C 1
ATOM 737 O O . HIS A 1 94 ? 30.716 -1.968 9.058 1.00 12.33 ? 93 HIS A O 1
ATOM 738 C CB . HIS A 1 94 ? 32.535 0.139 7.556 1.00 10.39 ? 93 HIS A CB 1
ATOM 739 C CG . HIS A 1 94 ? 33.597 1.102 7.955 1.00 7.06 ? 93 HIS A CG 1
ATOM 740 N ND1 . HIS A 1 94 ? 34.923 0.901 7.644 1.00 14.63 ? 93 HIS A ND1 1
ATOM 741 C CD2 . HIS A 1 94 ? 33.558 2.192 8.753 1.00 11.89 ? 93 HIS A CD2 1
ATOM 742 C CE1 . HIS A 1 94 ? 35.660 1.819 8.240 1.00 13.46 ? 93 HIS A CE1 1
ATOM 743 N NE2 . HIS A 1 94 ? 34.856 2.619 8.919 1.00 13.00 ? 93 HIS A NE2 1
ATOM 744 N N . ALA A 1 95 ? 31.363 -2.999 7.177 1.00 12.99 ? 94 ALA A N 1
ATOM 745 C CA . ALA A 1 95 ? 30.203 -3.879 7.162 1.00 14.15 ? 94 ALA A CA 1
ATOM 746 C C . ALA A 1 95 ? 30.443 -5.125 8.025 1.00 14.92 ? 94 ALA A C 1
ATOM 747 O O . ALA A 1 95 ? 29.643 -5.446 8.899 1.00 15.88 ? 94 ALA A O 1
ATOM 748 C CB . ALA A 1 95 ? 29.888 -4.316 5.729 1.00 13.95 ? 94 ALA A CB 1
ATOM 749 N N . THR A 1 96 ? 31.600 -5.749 7.839 1.00 15.36 ? 95 THR A N 1
ATOM 750 C CA . THR A 1 96 ? 31.942 -7.011 8.499 1.00 15.76 ? 95 THR A CA 1
ATOM 751 C C . THR A 1 96 ? 32.634 -6.974 9.845 1.00 16.40 ? 95 THR A C 1
ATOM 752 O O . THR A 1 96 ? 32.323 -7.792 10.712 1.00 17.41 ? 95 THR A O 1
ATOM 753 C CB . THR A 1 96 ? 32.797 -7.876 7.551 1.00 16.12 ? 95 THR A CB 1
ATOM 754 O OG1 . THR A 1 96 ? 32.200 -7.865 6.254 1.00 16.21 ? 95 THR A OG1 1
ATOM 755 C CG2 . THR A 1 96 ? 32.886 -9.318 8.042 1.00 15.32 ? 95 THR A CG2 1
ATOM 756 N N . LYS A 1 97 ? 33.604 -6.080 10.010 1.00 14.49 ? 96 LYS A N 1
ATOM 757 C CA . LYS A 1 97 ? 34.339 -5.999 11.269 1.00 13.81 ? 96 LYS A CA 1
ATOM 758 C C . LYS A 1 97 ? 33.683 -5.042 12.268 1.00 15.37 ? 96 LYS A C 1
ATOM 759 O O . LYS A 1 97 ? 33.266 -5.446 13.352 1.00 23.84 ? 96 LYS A O 1
ATOM 760 C CB . LYS A 1 97 ? 35.791 -5.581 11.006 1.00 15.51 ? 96 LYS A CB 1
ATOM 761 C CG . LYS A 1 97 ? 36.680 -5.666 12.247 1.00 22.79 ? 96 LYS A CG 1
ATOM 762 C CD . LYS A 1 97 ? 38.038 -5.009 12.041 1.00 43.86 ? 96 LYS A CD 1
ATOM 763 C CE . LYS A 1 97 ? 39.128 -6.005 11.662 1.00 64.91 ? 96 LYS A CE 1
ATOM 764 N NZ . LYS A 1 97 ? 38.985 -6.572 10.295 1.00 62.45 ? 96 LYS A NZ 1
ATOM 765 N N . HIS A 1 98 ? 33.538 -3.784 11.866 1.00 15.38 ? 97 HIS A N 1
ATOM 766 C CA . HIS A 1 98 ? 32.959 -2.738 12.713 1.00 15.66 ? 97 HIS A CA 1
ATOM 767 C C . HIS A 1 98 ? 31.431 -2.718 12.815 1.00 15.94 ? 97 HIS A C 1
ATOM 768 O O . HIS A 1 98 ? 30.899 -2.222 13.801 1.00 16.66 ? 97 HIS A O 1
ATOM 769 C CB . HIS A 1 98 ? 33.453 -1.373 12.229 1.00 14.52 ? 97 HIS A CB 1
ATOM 770 C CG . HIS A 1 98 ? 34.919 -1.339 11.938 1.00 13.89 ? 97 HIS A CG 1
ATOM 771 N ND1 . HIS A 1 98 ? 35.878 -1.898 12.753 1.00 14.09 ? 97 HIS A ND1 1
ATOM 772 C CD2 . HIS A 1 98 ? 35.592 -0.822 10.878 1.00 12.59 ? 97 HIS A CD2 1
ATOM 773 C CE1 . HIS A 1 98 ? 37.080 -1.708 12.180 1.00 13.26 ? 97 HIS A CE1 1
ATOM 774 N NE2 . HIS A 1 98 ? 36.959 -1.059 11.039 1.00 12.61 ? 97 HIS A NE2 1
ATOM 775 N N . LYS A 1 99 ? 30.740 -3.225 11.788 1.00 17.77 ? 98 LYS A N 1
ATOM 776 C CA . LYS A 1 99 ? 29.266 -3.269 11.724 1.00 21.81 ? 98 LYS A CA 1
ATOM 777 C C . LYS A 1 99 ? 28.608 -1.896 11.868 1.00 24.76 ? 98 LYS A C 1
ATOM 778 O O . LYS A 1 99 ? 27.818 -1.649 12.779 1.00 18.78 ? 98 LYS A O 1
ATOM 779 C CB . LYS A 1 99 ? 28.702 -4.263 12.748 1.00 27.28 ? 98 LYS A CB 1
ATOM 780 C CG . LYS A 1 99 ? 28.485 -5.660 12.177 1.00 50.07 ? 98 LYS A CG 1
ATOM 781 C CD . LYS A 1 99 ? 29.123 -6.751 13.019 1.00 50.17 ? 98 LYS A CD 1
ATOM 782 C CE . LYS A 1 99 ? 30.630 -6.732 12.886 1.00 63.11 ? 98 LYS A CE 1
ATOM 783 N NZ . LYS A 1 99 ? 31.292 -7.959 13.425 1.00 51.62 ? 98 LYS A NZ 1
ATOM 784 N N . ILE A 1 100 ? 28.911 -1.026 10.911 1.00 18.32 ? 99 ILE A N 1
ATOM 785 C CA . ILE A 1 100 ? 28.413 0.337 10.882 1.00 17.72 ? 99 ILE A CA 1
ATOM 786 C C . ILE A 1 100 ? 27.241 0.480 9.921 1.00 18.03 ? 99 ILE A C 1
ATOM 787 O O . ILE A 1 100 ? 27.407 0.396 8.699 1.00 18.32 ? 99 ILE A O 1
ATOM 788 C CB . ILE A 1 100 ? 29.532 1.313 10.411 1.00 17.43 ? 99 ILE A CB 1
ATOM 789 C CG1 . ILE A 1 100 ? 30.821 1.109 11.230 1.00 17.21 ? 99 ILE A CG1 1
ATOM 790 C CG2 . ILE A 1 100 ? 29.023 2.764 10.417 1.00 17.35 ? 99 ILE A CG2 1
ATOM 791 C CD1 . ILE A 1 100 ? 30.652 1.114 12.750 1.00 17.14 ? 99 ILE A CD1 1
ATOM 792 N N . PRO A 1 101 ? 26.041 0.737 10.454 1.00 18.18 ? 100 PRO A N 1
ATOM 793 C CA . PRO A 1 101 ? 24.892 0.889 9.554 1.00 18.77 ? 100 PRO A CA 1
ATOM 794 C C . PRO A 1 101 ? 24.976 2.161 8.703 1.00 19.04 ? 100 PRO A C 1
ATOM 795 O O . PRO A 1 101 ? 25.634 3.129 9.086 1.00 18.81 ? 100 PRO A O 1
ATOM 796 C CB . PRO A 1 101 ? 23.693 0.900 10.520 1.00 18.76 ? 100 PRO A CB 1
ATOM 797 C CG . PRO A 1 101 ? 24.274 1.377 11.810 1.00 18.52 ? 100 PRO A CG 1
ATOM 798 C CD . PRO A 1 101 ? 25.624 0.718 11.868 1.00 18.47 ? 100 PRO A CD 1
ATOM 799 N N . ILE A 1 102 ? 24.339 2.139 7.536 1.00 19.39 ? 101 ILE A N 1
ATOM 800 C CA . ILE A 1 102 ? 24.329 3.292 6.631 1.00 20.23 ? 101 ILE A CA 1
ATOM 801 C C . ILE A 1 102 ? 23.859 4.539 7.360 1.00 20.22 ? 101 ILE A C 1
ATOM 802 O O . ILE A 1 102 ? 24.303 5.645 7.068 1.00 20.58 ? 101 ILE A O 1
ATOM 803 C CB . ILE A 1 102 ? 23.396 3.036 5.397 1.00 20.90 ? 101 ILE A CB 1
ATOM 804 C CG1 . ILE A 1 102 ? 23.974 1.915 4.526 1.00 21.69 ? 101 ILE A CG1 1
ATOM 805 C CG2 . ILE A 1 102 ? 23.173 4.314 4.589 1.00 21.19 ? 101 ILE A CG2 1
ATOM 806 C CD1 . ILE A 1 102 ? 25.420 2.149 4.080 1.00 22.66 ? 101 ILE A CD1 1
ATOM 807 N N . LYS A 1 103 ? 22.955 4.334 8.311 1.00 15.20 ? 102 LYS A N 1
ATOM 808 C CA . LYS A 1 103 ? 22.379 5.389 9.128 1.00 21.32 ? 102 LYS A CA 1
ATOM 809 C C . LYS A 1 103 ? 23.485 6.228 9.759 1.00 13.06 ? 102 LYS A C 1
ATOM 810 O O . LYS A 1 103 ? 23.404 7.455 9.784 1.00 16.30 ? 102 LYS A O 1
ATOM 811 C CB . LYS A 1 103 ? 21.523 4.739 10.227 1.00 30.45 ? 102 LYS A CB 1
ATOM 812 C CG . LYS A 1 103 ? 20.797 5.684 11.164 1.00 48.16 ? 102 LYS A CG 1
ATOM 813 C CD . LYS A 1 103 ? 19.698 6.452 10.451 1.00 61.25 ? 102 LYS A CD 1
ATOM 814 C CE . LYS A 1 103 ? 18.846 7.202 11.458 1.00 72.91 ? 102 LYS A CE 1
ATOM 815 N NZ . LYS A 1 103 ? 17.920 8.200 10.858 1.00 79.71 ? 102 LYS A NZ 1
ATOM 816 N N . TYR A 1 104 ? 24.518 5.561 10.260 1.00 11.33 ? 103 TYR A N 1
ATOM 817 C CA . TYR A 1 104 ? 25.632 6.256 10.901 1.00 11.22 ? 103 TYR A CA 1
ATOM 818 C C . TYR A 1 104 ? 26.486 7.019 9.894 1.00 10.83 ? 103 TYR A C 1
ATOM 819 O O . TYR A 1 104 ? 27.180 7.974 10.261 1.00 10.34 ? 103 TYR A O 1
ATOM 820 C CB . TYR A 1 104 ? 26.501 5.283 11.698 1.00 12.02 ? 103 TYR A CB 1
ATOM 821 C CG . TYR A 1 104 ? 25.859 4.735 12.966 1.00 13.21 ? 103 TYR A CG 1
ATOM 822 C CD1 . TYR A 1 104 ? 24.515 4.946 13.247 1.00 14.16 ? 103 TYR A CD1 1
ATOM 823 C CD2 . TYR A 1 104 ? 26.610 3.983 13.873 1.00 13.80 ? 103 TYR A CD2 1
ATOM 824 C CE1 . TYR A 1 104 ? 23.926 4.413 14.407 1.00 15.23 ? 103 TYR A CE1 1
ATOM 825 C CE2 . TYR A 1 104 ? 26.042 3.454 15.019 1.00 14.79 ? 103 TYR A CE2 1
ATOM 826 C CZ . TYR A 1 104 ? 24.704 3.668 15.281 1.00 15.43 ? 103 TYR A CZ 1
ATOM 827 O OH . TYR A 1 104 ? 24.141 3.121 16.412 1.00 17.32 ? 103 TYR A OH 1
ATOM 828 N N . LEU A 1 105 ? 26.487 6.566 8.638 1.00 10.91 ? 104 LEU A N 1
ATOM 829 C CA . LEU A 1 105 ? 27.250 7.268 7.600 1.00 10.95 ? 104 LEU A CA 1
ATOM 830 C C . LEU A 1 105 ? 26.497 8.551 7.255 1.00 10.90 ? 104 LEU A C 1
ATOM 831 O O . LEU A 1 105 ? 27.095 9.541 6.851 1.00 10.38 ? 104 LEU A O 1
ATOM 832 C CB . LEU A 1 105 ? 27.461 6.392 6.359 1.00 11.55 ? 104 LEU A CB 1
ATOM 833 C CG . LEU A 1 105 ? 28.243 5.115 6.668 1.00 12.08 ? 104 LEU A CG 1
ATOM 834 C CD1 . LEU A 1 105 ? 28.328 4.263 5.432 1.00 13.00 ? 104 LEU A CD1 1
ATOM 835 C CD2 . LEU A 1 105 ? 29.619 5.461 7.157 1.00 12.57 ? 104 LEU A CD2 1
ATOM 836 N N . GLU A 1 106 ? 25.174 8.528 7.406 1.00 10.57 ? 105 GLU A N 1
ATOM 837 C CA . GLU A 1 106 ? 24.389 9.728 7.169 1.00 9.30 ? 105 GLU A CA 1
ATOM 838 C C . GLU A 1 106 ? 24.700 10.716 8.306 1.00 13.86 ? 105 GLU A C 1
ATOM 839 O O . GLU A 1 106 ? 24.866 11.916 8.071 1.00 12.19 ? 105 GLU A O 1
ATOM 840 C CB . GLU A 1 106 ? 22.898 9.397 7.136 1.00 15.20 ? 105 GLU A CB 1
ATOM 841 C CG . GLU A 1 106 ? 22.482 8.739 5.831 1.00 27.76 ? 105 GLU A CG 1
ATOM 842 C CD . GLU A 1 106 ? 21.056 8.226 5.838 1.00 38.89 ? 105 GLU A CD 1
ATOM 843 O OE1 . GLU A 1 106 ? 20.238 8.703 6.648 1.00 35.62 ? 105 GLU A OE1 1
ATOM 844 O OE2 . GLU A 1 106 ? 20.752 7.331 5.027 1.00 38.64 ? 105 GLU A OE2 1
ATOM 845 N N . PHE A 1 107 ? 24.805 10.197 9.530 1.00 10.92 ? 106 PHE A N 1
ATOM 846 C CA . PHE A 1 107 ? 25.108 11.027 10.698 1.00 11.11 ? 106 PHE A CA 1
ATOM 847 C C . PHE A 1 107 ? 26.457 11.727 10.580 1.00 11.11 ? 106 PHE A C 1
ATOM 848 O O . PHE A 1 107 ? 26.586 12.911 10.918 1.00 10.96 ? 106 PHE A O 1
ATOM 849 C CB . PHE A 1 107 ? 25.124 10.182 11.966 1.00 11.90 ? 106 PHE A CB 1
ATOM 850 C CG . PHE A 1 107 ? 23.777 9.650 12.370 1.00 13.28 ? 106 PHE A CG 1
ATOM 851 C CD1 . PHE A 1 107 ? 22.611 10.168 11.824 1.00 14.16 ? 106 PHE A CD1 1
ATOM 852 C CD2 . PHE A 1 107 ? 23.682 8.661 13.336 1.00 13.64 ? 106 PHE A CD2 1
ATOM 853 C CE1 . PHE A 1 107 ? 21.356 9.707 12.240 1.00 15.28 ? 106 PHE A CE1 1
ATOM 854 C CE2 . PHE A 1 107 ? 22.439 8.194 13.759 1.00 14.65 ? 106 PHE A CE2 1
ATOM 855 C CZ . PHE A 1 107 ? 21.280 8.721 13.211 1.00 15.22 ? 106 PHE A CZ 1
ATOM 856 N N . ILE A 1 108 ? 27.477 11.004 10.126 1.00 10.55 ? 107 ILE A N 1
ATOM 857 C CA . ILE A 1 108 ? 28.787 11.635 10.013 1.00 10.14 ? 107 ILE A CA 1
ATOM 858 C C . ILE A 1 108 ? 28.804 12.625 8.848 1.00 10.39 ? 107 ILE A C 1
ATOM 859 O O . ILE A 1 108 ? 29.532 13.614 8.890 1.00 9.64 ? 107 ILE A O 1
ATOM 860 C CB . ILE A 1 108 ? 29.955 10.606 9.921 1.00 10.51 ? 107 ILE A CB 1
ATOM 861 C CG1 . ILE A 1 108 ? 31.281 11.292 10.327 1.00 10.17 ? 107 ILE A CG1 1
ATOM 862 C CG2 . ILE A 1 108 ? 30.034 9.996 8.517 1.00 9.97 ? 107 ILE A CG2 1
ATOM 863 C CD1 . ILE A 1 108 ? 32.466 10.334 10.499 1.00 10.76 ? 107 ILE A CD1 1
ATOM 864 N N . SER A 1 109 ? 27.967 12.382 7.837 1.00 10.13 ? 108 SER A N 1
ATOM 865 C CA . SER A 1 109 ? 27.885 13.281 6.687 1.00 10.34 ? 108 SER A CA 1
ATOM 866 C C . SER A 1 109 ? 27.352 14.630 7.142 1.00 10.73 ? 108 SER A C 1
ATOM 867 O O . SER A 1 109 ? 27.819 15.671 6.686 1.00 10.50 ? 108 SER A O 1
ATOM 868 C CB . SER A 1 109 ? 26.983 12.703 5.604 1.00 10.68 ? 108 SER A CB 1
ATOM 869 O OG . SER A 1 109 ? 27.593 11.559 5.015 1.00 12.10 ? 108 SER A OG 1
ATOM 870 N N . GLU A 1 110 ? 26.408 14.598 8.082 1.00 8.69 ? 109 GLU A N 1
ATOM 871 C CA . GLU A 1 110 ? 25.804 15.806 8.628 1.00 9.14 ? 109 GLU A CA 1
ATOM 872 C C . GLU A 1 110 ? 26.812 16.539 9.497 1.00 6.68 ? 109 GLU A C 1
ATOM 873 O O . GLU A 1 110 ? 26.839 17.774 9.522 1.00 10.73 ? 109 GLU A O 1
ATOM 874 C CB . GLU A 1 110 ? 24.565 15.451 9.460 1.00 15.27 ? 109 GLU A CB 1
ATOM 875 C CG . GLU A 1 110 ? 23.978 16.629 10.235 1.00 35.60 ? 109 GLU A CG 1
ATOM 876 C CD . GLU A 1 110 ? 22.837 16.222 11.158 1.00 60.12 ? 109 GLU A CD 1
ATOM 877 O OE1 . GLU A 1 110 ? 22.997 15.249 11.936 1.00 59.25 ? 109 GLU A OE1 1
ATOM 878 O OE2 . GLU A 1 110 ? 21.778 16.887 11.108 1.00 68.94 ? 109 GLU A OE2 1
ATOM 879 N N . ALA A 1 111 ? 27.638 15.785 10.214 1.00 7.33 ? 110 ALA A N 1
ATOM 880 C CA . ALA A 1 111 ? 28.653 16.397 11.071 1.00 7.34 ? 110 ALA A CA 1
ATOM 881 C C . ALA A 1 111 ? 29.708 17.093 10.212 1.00 7.79 ? 110 ALA A C 1
ATOM 882 O O . ALA A 1 111 ? 30.213 18.160 10.579 1.00 8.04 ? 110 ALA A O 1
ATOM 883 C CB . ALA A 1 111 ? 29.318 15.346 11.972 1.00 7.61 ? 110 ALA A CB 1
ATOM 884 N N . ILE A 1 112 ? 30.029 16.502 9.064 1.00 7.42 ? 111 ILE A N 1
ATOM 885 C CA . ILE A 1 112 ? 31.027 17.096 8.174 1.00 8.01 ? 111 ILE A CA 1
ATOM 886 C C . ILE A 1 112 ? 30.493 18.411 7.622 1.00 8.43 ? 111 ILE A C 1
ATOM 887 O O . ILE A 1 112 ? 31.180 19.427 7.625 1.00 8.53 ? 111 ILE A O 1
ATOM 888 C CB . ILE A 1 112 ? 31.382 16.130 7.014 1.00 8.16 ? 111 ILE A CB 1
ATOM 889 C CG1 . ILE A 1 112 ? 32.207 14.960 7.553 1.00 7.94 ? 111 ILE A CG1 1
ATOM 890 C CG2 . ILE A 1 112 ? 32.146 16.875 5.907 1.00 8.37 ? 111 ILE A CG2 1
ATOM 891 C CD1 . ILE A 1 112 ? 32.269 13.769 6.631 1.00 8.87 ? 111 ILE A CD1 1
ATOM 892 N N . ILE A 1 113 ? 29.246 18.400 7.186 1.00 8.68 ? 112 ILE A N 1
ATOM 893 C CA . ILE A 1 113 ? 28.643 19.614 6.646 1.00 10.12 ? 112 ILE A CA 1
ATOM 894 C C . ILE A 1 113 ? 28.550 20.738 7.698 1.00 10.31 ? 112 ILE A C 1
ATOM 895 O O . ILE A 1 113 ? 28.850 21.896 7.397 1.00 10.39 ? 112 ILE A O 1
ATOM 896 C CB . ILE A 1 113 ? 27.271 19.299 6.011 1.00 10.61 ? 112 ILE A CB 1
ATOM 897 C CG1 . ILE A 1 113 ? 27.498 18.490 4.728 1.00 11.44 ? 112 ILE A CG1 1
ATOM 898 C CG2 . ILE A 1 113 ? 26.482 20.607 5.730 1.00 11.49 ? 112 ILE A CG2 1
ATOM 899 C CD1 . ILE A 1 113 ? 26.241 17.839 4.179 1.00 12.82 ? 112 ILE A CD1 1
ATOM 900 N N . HIS A 1 114 ? 28.216 20.375 8.939 1.00 10.42 ? 113 HIS A N 1
ATOM 901 C CA . HIS A 1 114 ? 28.103 21.344 10.020 1.00 10.49 ? 113 HIS A CA 1
ATOM 902 C C . HIS A 1 114 ? 29.455 21.994 10.314 1.00 10.76 ? 113 HIS A C 1
ATOM 903 O O . HIS A 1 114 ? 29.549 23.211 10.450 1.00 11.11 ? 113 HIS A O 1
ATOM 904 C CB . HIS A 1 114 ? 27.554 20.662 11.282 1.00 12.95 ? 113 HIS A CB 1
ATOM 905 C CG . HIS A 1 114 ? 27.553 21.539 12.500 1.00 17.44 ? 113 HIS A CG 1
ATOM 906 N ND1 . HIS A 1 114 ? 26.448 22.217 12.966 1.00 23.03 ? 113 HIS A ND1 1
ATOM 907 C CD2 . HIS A 1 114 ? 28.557 21.842 13.362 1.00 19.26 ? 113 HIS A CD2 1
ATOM 908 C CE1 . HIS A 1 114 ? 26.808 22.893 14.068 1.00 22.28 ? 113 HIS A CE1 1
ATOM 909 N NE2 . HIS A 1 114 ? 28.081 22.695 14.348 1.00 23.07 ? 113 HIS A NE2 1
ATOM 910 N N . VAL A 1 115 ? 30.508 21.188 10.397 1.00 10.13 ? 114 VAL A N 1
ATOM 911 C CA . VAL A 1 115 ? 31.830 21.724 10.684 1.00 10.03 ? 114 VAL A CA 1
ATOM 912 C C . VAL A 1 115 ? 32.381 22.605 9.547 1.00 10.14 ? 114 VAL A C 1
ATOM 913 O O . VAL A 1 115 ? 32.944 23.661 9.814 1.00 10.13 ? 114 VAL A O 1
ATOM 914 C CB . VAL A 1 115 ? 32.812 20.588 11.064 1.00 10.51 ? 114 VAL A CB 1
ATOM 915 C CG1 . VAL A 1 115 ? 34.246 21.110 11.135 1.00 10.11 ? 114 VAL A CG1 1
ATOM 916 C CG2 . VAL A 1 115 ? 32.398 20.007 12.405 1.00 9.35 ? 114 VAL A CG2 1
ATOM 917 N N . LEU A 1 116 ? 32.240 22.179 8.289 1.00 9.97 ? 115 LEU A N 1
ATOM 918 C CA . LEU A 1 116 ? 32.713 23.011 7.173 1.00 10.17 ? 115 LEU A CA 1
ATOM 919 C C . LEU A 1 116 ? 31.950 24.331 7.160 1.00 10.41 ? 115 LEU A C 1
ATOM 920 O O . LEU A 1 116 ? 32.515 25.381 6.875 1.00 10.19 ? 115 LEU A O 1
ATOM 921 C CB . LEU A 1 116 ? 32.532 22.315 5.822 1.00 10.42 ? 115 LEU A CB 1
ATOM 922 C CG . LEU A 1 116 ? 33.339 21.030 5.615 1.00 12.07 ? 115 LEU A CG 1
ATOM 923 C CD1 . LEU A 1 116 ? 33.300 20.605 4.173 1.00 12.97 ? 115 LEU A CD1 1
ATOM 924 C CD2 . LEU A 1 116 ? 34.752 21.264 6.016 1.00 13.34 ? 115 LEU A CD2 1
ATOM 925 N N . HIS A 1 117 ? 30.651 24.266 7.450 1.00 10.67 ? 116 HIS A N 1
ATOM 926 C CA . HIS A 1 117 ? 29.821 25.460 7.487 1.00 11.51 ? 116 HIS A CA 1
ATOM 927 C C . HIS A 1 117 ? 30.304 26.403 8.593 1.00 12.32 ? 116 HIS A C 1
ATOM 928 O O . HIS A 1 117 ? 30.339 27.620 8.388 1.00 12.36 ? 116 HIS A O 1
ATOM 929 C CB . HIS A 1 117 ? 28.349 25.083 7.700 1.00 13.42 ? 116 HIS A CB 1
ATOM 930 C CG . HIS A 1 117 ? 27.430 26.260 7.851 1.00 16.07 ? 116 HIS A CG 1
ATOM 931 N ND1 . HIS A 1 117 ? 26.931 26.995 6.798 1.00 22.58 ? 116 HIS A ND1 1
ATOM 932 C CD2 . HIS A 1 117 ? 26.907 26.822 8.970 1.00 15.62 ? 116 HIS A CD2 1
ATOM 933 C CE1 . HIS A 1 117 ? 26.141 27.956 7.303 1.00 16.64 ? 116 HIS A CE1 1
ATOM 934 N NE2 . HIS A 1 117 ? 26.096 27.890 8.618 1.00 20.44 ? 116 HIS A NE2 1
ATOM 935 N N . SER A 1 118 ? 30.689 25.852 9.746 1.00 12.40 ? 117 SER A N 1
ATOM 936 C CA . SER A 1 118 ? 31.176 26.680 10.858 1.00 13.42 ? 117 SER A CA 1
ATOM 937 C C . SER A 1 118 ? 32.549 27.294 10.598 1.00 13.19 ? 117 SER A C 1
ATOM 938 O O . SER A 1 118 ? 32.742 28.489 10.823 1.00 13.50 ? 117 SER A O 1
ATOM 939 C CB . SER A 1 118 ? 31.288 25.879 12.165 1.00 14.20 ? 117 SER A CB 1
ATOM 940 O OG . SER A 1 118 ? 30.065 25.256 12.503 1.00 18.35 ? 117 SER A OG 1
ATOM 941 N N . ARG A 1 119 ? 33.490 26.483 10.110 1.00 12.21 ? 118 ARG A N 1
ATOM 942 C CA . ARG A 1 119 ? 34.861 26.948 9.886 1.00 11.87 ? 118 ARG A CA 1
ATOM 943 C C . ARG A 1 119 ? 35.188 27.644 8.578 1.00 12.00 ? 118 ARG A C 1
ATOM 944 O O . ARG A 1 119 ? 36.150 28.408 8.522 1.00 12.02 ? 118 ARG A O 1
ATOM 945 C CB . ARG A 1 119 ? 35.852 25.796 10.103 1.00 11.86 ? 118 ARG A CB 1
ATOM 946 C CG . ARG A 1 119 ? 35.912 25.310 11.552 1.00 16.68 ? 118 ARG A CG 1
ATOM 947 C CD . ARG A 1 119 ? 36.826 24.094 11.730 1.00 13.63 ? 118 ARG A CD 1
ATOM 948 N NE . ARG A 1 119 ? 38.225 24.415 11.481 1.00 20.08 ? 118 ARG A NE 1
ATOM 949 C CZ . ARG A 1 119 ? 39.254 23.864 12.121 1.00 27.30 ? 118 ARG A CZ 1
ATOM 950 N NH1 . ARG A 1 119 ? 39.056 22.964 13.080 1.00 13.60 ? 118 ARG A NH1 1
ATOM 951 N NH2 . ARG A 1 119 ? 40.492 24.223 11.801 1.00 16.09 ? 118 ARG A NH2 1
ATOM 952 N N . HIS A 1 120 ? 34.387 27.414 7.536 1.00 11.48 ? 119 HIS A N 1
ATOM 953 C CA . HIS A 1 120 ? 34.654 28.007 6.223 1.00 11.65 ? 119 HIS A CA 1
ATOM 954 C C . HIS A 1 120 ? 33.431 28.664 5.604 1.00 12.44 ? 119 HIS A C 1
ATOM 955 O O . HIS A 1 120 ? 33.080 28.373 4.455 1.00 12.47 ? 119 HIS A O 1
ATOM 956 C CB . HIS A 1 120 ? 35.161 26.911 5.273 1.00 9.10 ? 119 HIS A CB 1
ATOM 957 C CG . HIS A 1 120 ? 36.305 26.130 5.832 1.00 11.96 ? 119 HIS A CG 1
ATOM 958 N ND1 . HIS A 1 120 ? 37.593 26.606 5.905 1.00 10.79 ? 119 HIS A ND1 1
ATOM 959 C CD2 . HIS A 1 120 ? 36.322 24.921 6.448 1.00 6.08 ? 119 HIS A CD2 1
ATOM 960 C CE1 . HIS A 1 120 ? 38.325 25.696 6.562 1.00 9.70 ? 119 HIS A CE1 1
ATOM 961 N NE2 . HIS A 1 120 ? 37.591 24.654 6.907 1.00 10.06 ? 119 HIS A NE2 1
ATOM 962 N N . PRO A 1 121 ? 32.809 29.616 6.316 1.00 13.22 ? 120 PRO A N 1
ATOM 963 C CA . PRO A 1 121 ? 31.619 30.265 5.760 1.00 14.02 ? 120 PRO A CA 1
ATOM 964 C C . PRO A 1 121 ? 31.799 30.908 4.385 1.00 14.67 ? 120 PRO A C 1
ATOM 965 O O . PRO A 1 121 ? 30.903 30.840 3.547 1.00 15.54 ? 120 PRO A O 1
ATOM 966 C CB . PRO A 1 121 ? 31.239 31.275 6.848 1.00 14.34 ? 120 PRO A CB 1
ATOM 967 C CG . PRO A 1 121 ? 32.537 31.559 7.540 1.00 13.87 ? 120 PRO A CG 1
ATOM 968 C CD . PRO A 1 121 ? 33.169 30.202 7.620 1.00 13.24 ? 120 PRO A CD 1
ATOM 969 N N . GLY A 1 122 ? 32.982 31.446 4.125 1.00 15.20 ? 121 GLY A N 1
ATOM 970 C CA . GLY A 1 122 ? 33.239 32.095 2.850 1.00 15.19 ? 121 GLY A CA 1
ATOM 971 C C . GLY A 1 122 ? 33.418 31.135 1.693 1.00 15.61 ? 121 GLY A C 1
ATOM 972 O O . GLY A 1 122 ? 33.197 31.510 0.534 1.00 16.99 ? 121 GLY A O 1
ATOM 973 N N . ASN A 1 123 ? 33.826 29.904 1.979 1.00 14.49 ? 122 ASN A N 1
ATOM 974 C CA . ASN A 1 123 ? 34.021 28.929 0.911 1.00 13.76 ? 122 ASN A CA 1
ATOM 975 C C . ASN A 1 123 ? 32.974 27.846 0.959 1.00 13.67 ? 122 ASN A C 1
ATOM 976 O O . ASN A 1 123 ? 33.044 26.863 0.210 1.00 14.46 ? 122 ASN A O 1
ATOM 977 C CB . ASN A 1 123 ? 35.413 28.300 1.002 1.00 13.02 ? 122 ASN A CB 1
ATOM 978 C CG . ASN A 1 123 ? 36.510 29.292 0.687 1.00 17.64 ? 122 ASN A CG 1
ATOM 979 O OD1 . ASN A 1 123 ? 37.436 29.500 1.476 1.00 19.83 ? 122 ASN A OD1 1
ATOM 980 N ND2 . ASN A 1 123 ? 36.401 29.924 -0.466 1.00 9.15 ? 122 ASN A ND2 1
ATOM 981 N N . PHE A 1 124 ? 31.995 28.017 1.834 1.00 12.60 ? 123 PHE A N 1
ATOM 982 C CA . PHE A 1 124 ? 30.956 27.016 1.960 1.00 11.40 ? 123 PHE A CA 1
ATOM 983 C C . PHE A 1 124 ? 29.565 27.636 1.901 1.00 11.21 ? 123 PHE A C 1
ATOM 984 O O . PHE A 1 124 ? 28.774 27.498 2.829 1.00 10.94 ? 123 PHE A O 1
ATOM 985 C CB . PHE A 1 124 ? 31.143 26.228 3.252 1.00 9.96 ? 123 PHE A CB 1
ATOM 986 C CG . PHE A 1 124 ? 30.593 24.840 3.198 1.00 9.19 ? 123 PHE A CG 1
ATOM 987 C CD1 . PHE A 1 124 ? 31.156 23.889 2.352 1.00 8.23 ? 123 PHE A CD1 1
ATOM 988 C CD2 . PHE A 1 124 ? 29.544 24.465 4.036 1.00 9.05 ? 123 PHE A CD2 1
ATOM 989 C CE1 . PHE A 1 124 ? 30.680 22.572 2.345 1.00 8.36 ? 123 PHE A CE1 1
ATOM 990 C CE2 . PHE A 1 124 ? 29.062 23.157 4.045 1.00 9.00 ? 123 PHE A CE2 1
ATOM 991 C CZ . PHE A 1 124 ? 29.633 22.203 3.194 1.00 8.45 ? 123 PHE A CZ 1
ATOM 992 N N . GLY A 1 125 ? 29.302 28.337 0.804 1.00 10.84 ? 124 GLY A N 1
ATOM 993 C CA . GLY A 1 125 ? 28.006 28.942 0.576 1.00 10.99 ? 124 GLY A CA 1
ATOM 994 C C . GLY A 1 125 ? 27.038 27.860 0.119 1.00 11.04 ? 124 GLY A C 1
ATOM 995 O O . GLY A 1 125 ? 27.392 26.682 0.083 1.00 10.84 ? 124 GLY A O 1
ATOM 996 N N . ALA A 1 126 ? 25.833 28.256 -0.283 1.00 11.12 ? 125 ALA A N 1
ATOM 997 C CA . ALA A 1 126 ? 24.801 27.295 -0.691 1.00 11.15 ? 125 ALA A CA 1
ATOM 998 C C . ALA A 1 126 ? 25.192 26.363 -1.824 1.00 11.07 ? 125 ALA A C 1
ATOM 999 O O . ALA A 1 126 ? 24.911 25.175 -1.770 1.00 11.88 ? 125 ALA A O 1
ATOM 1000 C CB . ALA A 1 126 ? 23.510 28.019 -1.024 1.00 11.14 ? 125 ALA A CB 1
ATOM 1001 N N . ASP A 1 127 ? 25.840 26.889 -2.855 1.00 10.80 ? 126 ASP A N 1
ATOM 1002 C CA . ASP A 1 127 ? 26.241 26.044 -3.971 1.00 10.59 ? 126 ASP A CA 1
ATOM 1003 C C . ASP A 1 127 ? 27.321 25.047 -3.568 1.00 8.93 ? 126 ASP A C 1
ATOM 1004 O O . ASP A 1 127 ? 27.285 23.889 -3.977 1.00 10.49 ? 126 ASP A O 1
ATOM 1005 C CB . ASP A 1 127 ? 26.710 26.906 -5.138 1.00 16.11 ? 126 ASP A CB 1
ATOM 1006 C CG . ASP A 1 127 ? 25.582 27.735 -5.743 1.00 24.03 ? 126 ASP A CG 1
ATOM 1007 O OD1 . ASP A 1 127 ? 24.418 27.285 -5.725 1.00 19.13 ? 126 ASP A OD1 1
ATOM 1008 O OD2 . ASP A 1 127 ? 25.856 28.844 -6.226 1.00 26.52 ? 126 ASP A OD2 1
ATOM 1009 N N . ALA A 1 128 ? 28.275 25.492 -2.754 1.00 8.39 ? 127 ALA A N 1
ATOM 1010 C CA . ALA A 1 128 ? 29.356 24.613 -2.295 1.00 8.39 ? 127 ALA A CA 1
ATOM 1011 C C . ALA A 1 128 ? 28.807 23.519 -1.373 1.00 8.76 ? 127 ALA A C 1
ATOM 1012 O O . ALA A 1 128 ? 29.261 22.375 -1.423 1.00 9.07 ? 127 ALA A O 1
ATOM 1013 C CB . ALA A 1 128 ? 30.429 25.421 -1.579 1.00 8.59 ? 127 ALA A CB 1
ATOM 1014 N N . GLN A 1 129 ? 27.853 23.871 -0.509 1.00 8.09 ? 128 GLN A N 1
ATOM 1015 C CA . GLN A 1 129 ? 27.275 22.881 0.385 1.00 8.11 ? 128 GLN A CA 1
ATOM 1016 C C . GLN A 1 129 ? 26.462 21.858 -0.412 1.00 8.50 ? 128 GLN A C 1
ATOM 1017 O O . GLN A 1 129 ? 26.450 20.671 -0.088 1.00 8.76 ? 128 GLN A O 1
ATOM 1018 C CB . GLN A 1 129 ? 26.405 23.549 1.453 1.00 7.97 ? 128 GLN A CB 1
ATOM 1019 C CG . GLN A 1 129 ? 25.795 22.540 2.429 1.00 7.62 ? 128 GLN A CG 1
ATOM 1020 C CD . GLN A 1 129 ? 25.025 23.194 3.567 1.00 9.00 ? 128 GLN A CD 1
ATOM 1021 O OE1 . GLN A 1 129 ? 25.351 24.295 3.999 1.00 13.35 ? 128 GLN A OE1 1
ATOM 1022 N NE2 . GLN A 1 129 ? 24.014 22.498 4.070 1.00 12.69 ? 128 GLN A NE2 1
ATOM 1023 N N . GLY A 1 130 ? 25.796 22.319 -1.469 1.00 8.76 ? 129 GLY A N 1
ATOM 1024 C CA . GLY A 1 130 ? 25.018 21.421 -2.297 1.00 8.78 ? 129 GLY A CA 1
ATOM 1025 C C . GLY A 1 130 ? 25.924 20.419 -2.992 1.00 9.24 ? 129 GLY A C 1
ATOM 1026 O O . GLY A 1 130 ? 25.579 19.236 -3.135 1.00 9.55 ? 129 GLY A O 1
ATOM 1027 N N . ALA A 1 131 ? 27.064 20.898 -3.477 1.00 9.04 ? 130 ALA A N 1
ATOM 1028 C CA . ALA A 1 131 ? 28.026 20.026 -4.151 1.00 9.65 ? 130 ALA A CA 1
ATOM 1029 C C . ALA A 1 131 ? 28.638 19.011 -3.165 1.00 9.41 ? 130 ALA A C 1
ATOM 1030 O O . ALA A 1 131 ? 28.833 17.849 -3.508 1.00 10.14 ? 130 ALA A O 1
ATOM 1031 C CB . ALA A 1 131 ? 29.120 20.863 -4.806 1.00 9.94 ? 130 ALA A CB 1
ATOM 1032 N N . MET A 1 132 ? 28.955 19.453 -1.952 1.00 9.07 ? 131 MET A N 1
ATOM 1033 C CA . MET A 1 132 ? 29.516 18.560 -0.924 1.00 9.60 ? 131 MET A CA 1
ATOM 1034 C C . MET A 1 132 ? 28.460 17.513 -0.542 1.00 9.30 ? 131 MET A C 1
ATOM 1035 O O . MET A 1 132 ? 28.756 16.327 -0.428 1.00 9.37 ? 131 MET A O 1
ATOM 1036 C CB . MET A 1 132 ? 29.964 19.365 0.315 1.00 10.14 ? 131 MET A CB 1
ATOM 1037 C CG . MET A 1 132 ? 30.626 18.538 1.444 1.00 11.41 ? 131 MET A CG 1
ATOM 1038 S SD . MET A 1 132 ? 32.114 17.623 0.887 1.00 15.48 ? 131 MET A SD 1
ATOM 1039 C CE . MET A 1 132 ? 33.312 18.844 0.963 1.00 13.44 ? 131 MET A CE 1
ATOM 1040 N N . ASN A 1 133 ? 27.216 17.945 -0.374 1.00 9.64 ? 132 ASN A N 1
ATOM 1041 C CA . ASN A 1 133 ? 26.156 17.000 -0.056 1.00 9.63 ? 132 ASN A CA 1
ATOM 1042 C C . ASN A 1 133 ? 26.016 15.928 -1.161 1.00 10.16 ? 132 ASN A C 1
ATOM 1043 O O . ASN A 1 133 ? 25.850 14.745 -0.868 1.00 10.58 ? 132 ASN A O 1
ATOM 1044 C CB . ASN A 1 133 ? 24.814 17.707 0.139 1.00 9.81 ? 132 ASN A CB 1
ATOM 1045 C CG . ASN A 1 133 ? 23.687 16.718 0.382 1.00 10.40 ? 132 ASN A CG 1
ATOM 1046 O OD1 . ASN A 1 133 ? 23.706 15.992 1.362 1.00 12.93 ? 132 ASN A OD1 1
ATOM 1047 N ND2 . ASN A 1 133 ? 22.737 16.648 -0.543 1.00 11.63 ? 132 ASN A ND2 1
ATOM 1048 N N . LYS A 1 134 ? 26.066 16.353 -2.423 1.00 8.49 ? 133 LYS A N 1
ATOM 1049 C CA . LYS A 1 134 ? 25.965 15.440 -3.566 1.00 9.93 ? 133 LYS A CA 1
ATOM 1050 C C . LYS A 1 134 ? 27.126 14.429 -3.563 1.00 12.00 ? 133 LYS A C 1
ATOM 1051 O O . LYS A 1 134 ? 26.935 13.240 -3.823 1.00 9.92 ? 133 LYS A O 1
ATOM 1052 C CB . LYS A 1 134 ? 25.982 16.265 -4.852 1.00 8.71 ? 133 LYS A CB 1
ATOM 1053 C CG . LYS A 1 134 ? 25.438 15.580 -6.078 1.00 21.83 ? 133 LYS A CG 1
ATOM 1054 C CD . LYS A 1 134 ? 25.284 16.576 -7.225 1.00 25.88 ? 133 LYS A CD 1
ATOM 1055 C CE . LYS A 1 134 ? 24.869 15.864 -8.499 1.00 50.65 ? 133 LYS A CE 1
ATOM 1056 N NZ . LYS A 1 134 ? 24.796 16.766 -9.678 1.00 51.16 ? 133 LYS A NZ 1
ATOM 1057 N N . ALA A 1 135 ? 28.327 14.902 -3.235 1.00 8.45 ? 134 ALA A N 1
ATOM 1058 C CA . ALA A 1 135 ? 29.503 14.034 -3.208 1.00 8.48 ? 134 ALA A CA 1
ATOM 1059 C C . ALA A 1 135 ? 29.389 13.010 -2.091 1.00 8.89 ? 134 ALA A C 1
ATOM 1060 O O . ALA A 1 135 ? 29.733 11.840 -2.279 1.00 9.10 ? 134 ALA A O 1
ATOM 1061 C CB . ALA A 1 135 ? 30.778 14.863 -3.056 1.00 8.24 ? 134 ALA A CB 1
ATOM 1062 N N . LEU A 1 136 ? 28.864 13.429 -0.943 1.00 8.95 ? 135 LEU A N 1
ATOM 1063 C CA . LEU A 1 136 ? 28.709 12.516 0.187 1.00 9.81 ? 135 LEU A CA 1
ATOM 1064 C C . LEU A 1 136 ? 27.559 11.544 -0.068 1.00 9.95 ? 135 LEU A C 1
ATOM 1065 O O . LEU A 1 136 ? 27.608 10.398 0.365 1.00 10.73 ? 135 LEU A O 1
ATOM 1066 C CB . LEU A 1 136 ? 28.488 13.292 1.491 1.00 10.62 ? 135 LEU A CB 1
ATOM 1067 C CG . LEU A 1 136 ? 29.701 14.126 1.934 1.00 11.14 ? 135 LEU A CG 1
ATOM 1068 C CD1 . LEU A 1 136 ? 29.360 14.933 3.188 1.00 10.79 ? 135 LEU A CD1 1
ATOM 1069 C CD2 . LEU A 1 136 ? 30.899 13.213 2.171 1.00 11.88 ? 135 LEU A CD2 1
ATOM 1070 N N . GLU A 1 137 ? 26.526 11.995 -0.780 1.00 6.73 ? 136 GLU A N 1
ATOM 1071 C CA . GLU A 1 137 ? 25.402 11.117 -1.108 1.00 6.01 ? 136 GLU A CA 1
ATOM 1072 C C . GLU A 1 137 ? 25.884 10.042 -2.079 1.00 16.78 ? 136 GLU A C 1
ATOM 1073 O O . GLU A 1 137 ? 25.450 8.889 -2.004 1.00 11.21 ? 136 GLU A O 1
ATOM 1074 C CB . GLU A 1 137 ? 24.268 11.893 -1.764 1.00 9.27 ? 136 GLU A CB 1
ATOM 1075 C CG . GLU A 1 137 ? 23.518 12.804 -0.815 1.00 24.35 ? 136 GLU A CG 1
ATOM 1076 C CD . GLU A 1 137 ? 22.209 13.306 -1.403 1.00 49.44 ? 136 GLU A CD 1
ATOM 1077 O OE1 . GLU A 1 137 ? 21.977 13.091 -2.617 1.00 45.82 ? 136 GLU A OE1 1
ATOM 1078 O OE2 . GLU A 1 137 ? 21.410 13.908 -0.648 1.00 44.41 ? 136 GLU A OE2 1
ATOM 1079 N N . LEU A 1 138 ? 26.756 10.434 -3.008 1.00 10.54 ? 137 LEU A N 1
ATOM 1080 C CA . LEU A 1 138 ? 27.325 9.494 -3.986 1.00 11.01 ? 137 LEU A CA 1
ATOM 1081 C C . LEU A 1 138 ? 28.151 8.462 -3.231 1.00 11.09 ? 137 LEU A C 1
ATOM 1082 O O . LEU A 1 138 ? 28.067 7.264 -3.507 1.00 11.35 ? 137 LEU A O 1
ATOM 1083 C CB . LEU A 1 138 ? 28.212 10.229 -4.990 1.00 11.94 ? 137 LEU A CB 1
ATOM 1084 C CG . LEU A 1 138 ? 28.994 9.349 -5.967 1.00 12.42 ? 137 LEU A CG 1
ATOM 1085 C CD1 . LEU A 1 138 ? 28.035 8.596 -6.888 1.00 14.31 ? 137 LEU A CD1 1
ATOM 1086 C CD2 . LEU A 1 138 ? 29.942 10.212 -6.783 1.00 13.30 ? 137 LEU A CD2 1
ATOM 1087 N N . PHE A 1 139 ? 28.945 8.933 -2.273 1.00 10.85 ? 138 PHE A N 1
ATOM 1088 C CA . PHE A 1 139 ? 29.767 8.049 -1.438 1.00 11.17 ? 138 PHE A CA 1
ATOM 1089 C C . PHE A 1 139 ? 28.878 7.040 -0.683 1.00 10.87 ? 138 PHE A C 1
ATOM 1090 O O . PHE A 1 139 ? 29.132 5.835 -0.708 1.00 10.35 ? 138 PHE A O 1
ATOM 1091 C CB . PHE A 1 139 ? 30.594 8.894 -0.461 1.00 12.24 ? 138 PHE A CB 1
ATOM 1092 C CG . PHE A 1 139 ? 31.193 8.115 0.672 1.00 13.97 ? 138 PHE A CG 1
ATOM 1093 C CD1 . PHE A 1 139 ? 32.206 7.198 0.449 1.00 14.07 ? 138 PHE A CD1 1
ATOM 1094 C CD2 . PHE A 1 139 ? 30.742 8.310 1.973 1.00 14.33 ? 138 PHE A CD2 1
ATOM 1095 C CE1 . PHE A 1 139 ? 32.759 6.488 1.504 1.00 15.24 ? 138 PHE A CE1 1
ATOM 1096 C CE2 . PHE A 1 139 ? 31.292 7.601 3.033 1.00 15.20 ? 138 PHE A CE2 1
ATOM 1097 C CZ . PHE A 1 139 ? 32.304 6.688 2.797 1.00 14.79 ? 138 PHE A CZ 1
ATOM 1098 N N . ARG A 1 140 ? 27.821 7.533 -0.040 1.00 10.75 ? 139 ARG A N 1
ATOM 1099 C CA . ARG A 1 140 ? 26.907 6.663 0.691 1.00 10.95 ? 139 ARG A CA 1
ATOM 1100 C C . ARG A 1 140 ? 26.168 5.672 -0.196 1.00 10.97 ? 139 ARG A C 1
ATOM 1101 O O . ARG A 1 140 ? 25.911 4.546 0.216 1.00 11.58 ? 139 ARG A O 1
ATOM 1102 C CB . ARG A 1 140 ? 25.895 7.477 1.488 1.00 10.03 ? 139 ARG A CB 1
ATOM 1103 C CG . ARG A 1 140 ? 26.542 8.326 2.563 1.00 9.95 ? 139 ARG A CG 1
ATOM 1104 C CD . ARG A 1 140 ? 25.537 8.698 3.633 1.00 9.00 ? 139 ARG A CD 1
ATOM 1105 N NE . ARG A 1 140 ? 24.374 9.395 3.094 1.00 14.10 ? 139 ARG A NE 1
ATOM 1106 C CZ . ARG A 1 140 ? 24.331 10.698 2.830 1.00 20.09 ? 139 ARG A CZ 1
ATOM 1107 N NH1 . ARG A 1 140 ? 25.397 11.459 3.045 1.00 19.22 ? 139 ARG A NH1 1
ATOM 1108 N NH2 . ARG A 1 140 ? 23.217 11.239 2.352 1.00 13.02 ? 139 ARG A NH2 1
ATOM 1109 N N . LYS A 1 141 ? 25.794 6.103 -1.393 1.00 10.58 ? 140 LYS A N 1
ATOM 1110 C CA . LYS A 1 141 ? 25.085 5.238 -2.334 1.00 14.91 ? 140 LYS A CA 1
ATOM 1111 C C . LYS A 1 141 ? 25.960 4.072 -2.796 1.00 16.54 ? 140 LYS A C 1
ATOM 1112 O O . LYS A 1 141 ? 25.508 2.920 -2.851 1.00 13.39 ? 140 LYS A O 1
ATOM 1113 C CB . LYS A 1 141 ? 24.629 6.037 -3.564 1.00 23.66 ? 140 LYS A CB 1
ATOM 1114 C CG . LYS A 1 141 ? 23.809 5.214 -4.555 1.00 38.30 ? 140 LYS A CG 1
ATOM 1115 C CD . LYS A 1 141 ? 23.378 6.015 -5.777 1.00 65.95 ? 140 LYS A CD 1
ATOM 1116 C CE . LYS A 1 141 ? 24.414 5.956 -6.891 1.00 67.66 ? 140 LYS A CE 1
ATOM 1117 N NZ . LYS A 1 141 ? 25.721 6.540 -6.486 1.00 78.69 ? 140 LYS A NZ 1
ATOM 1118 N N . ASP A 1 142 ? 27.209 4.369 -3.144 1.00 11.41 ? 141 ASP A N 1
ATOM 1119 C CA . ASP A 1 142 ? 28.121 3.330 -3.596 1.00 12.21 ? 141 ASP A CA 1
ATOM 1120 C C . ASP A 1 142 ? 28.523 2.404 -2.455 1.00 15.59 ? 141 ASP A C 1
ATOM 1121 O O . ASP A 1 142 ? 28.690 1.205 -2.654 1.00 13.95 ? 141 ASP A O 1
ATOM 1122 C CB . ASP A 1 142 ? 29.342 3.942 -4.275 1.00 11.10 ? 141 ASP A CB 1
ATOM 1123 C CG . ASP A 1 142 ? 29.012 4.537 -5.625 1.00 18.50 ? 141 ASP A CG 1
ATOM 1124 O OD1 . ASP A 1 142 ? 27.901 4.285 -6.137 1.00 17.64 ? 141 ASP A OD1 1
ATOM 1125 O OD2 . ASP A 1 142 ? 29.858 5.267 -6.178 1.00 19.12 ? 141 ASP A OD2 1
ATOM 1126 N N . ILE A 1 143 ? 28.661 2.953 -1.256 1.00 16.17 ? 142 ILE A N 1
ATOM 1127 C CA . ILE A 1 143 ? 29.003 2.133 -0.099 1.00 16.87 ? 142 ILE A CA 1
ATOM 1128 C C . ILE A 1 143 ? 27.828 1.207 0.228 1.00 16.30 ? 142 ILE A C 1
ATOM 1129 O O . ILE A 1 143 ? 28.035 0.037 0.563 1.00 16.25 ? 142 ILE A O 1
ATOM 1130 C CB . ILE A 1 143 ? 29.337 3.007 1.134 1.00 18.09 ? 142 ILE A CB 1
ATOM 1131 C CG1 . ILE A 1 143 ? 30.802 3.402 1.095 1.00 19.51 ? 142 ILE A CG1 1
ATOM 1132 C CG2 . ILE A 1 143 ? 29.037 2.265 2.432 1.00 19.83 ? 142 ILE A CG2 1
ATOM 1133 C CD1 . ILE A 1 143 ? 31.730 2.254 1.434 1.00 21.45 ? 142 ILE A CD1 1
ATOM 1134 N N . ALA A 1 144 ? 26.604 1.726 0.138 1.00 15.33 ? 143 ALA A N 1
ATOM 1135 C CA . ALA A 1 144 ? 25.417 0.915 0.434 1.00 15.31 ? 143 ALA A CA 1
ATOM 1136 C C . ALA A 1 144 ? 25.327 -0.264 -0.532 1.00 15.15 ? 143 ALA A C 1
ATOM 1137 O O . ALA A 1 144 ? 25.004 -1.375 -0.120 1.00 15.20 ? 143 ALA A O 1
ATOM 1138 C CB . ALA A 1 144 ? 24.148 1.759 0.351 1.00 15.88 ? 143 ALA A CB 1
ATOM 1139 N N . ALA A 1 145 ? 25.654 -0.018 -1.802 1.00 14.89 ? 144 ALA A N 1
ATOM 1140 C CA . ALA A 1 145 ? 25.629 -1.048 -2.836 1.00 14.96 ? 144 ALA A CA 1
ATOM 1141 C C . ALA A 1 145 ? 26.637 -2.150 -2.522 1.00 15.39 ? 144 ALA A C 1
ATOM 1142 O O . ALA A 1 145 ? 26.351 -3.328 -2.719 1.00 15.94 ? 144 ALA A O 1
ATOM 1143 C CB . ALA A 1 145 ? 25.936 -0.437 -4.191 1.00 14.69 ? 144 ALA A CB 1
ATOM 1144 N N . LYS A 1 146 ? 27.806 -1.759 -2.015 1.00 13.64 ? 145 LYS A N 1
ATOM 1145 C CA . LYS A 1 146 ? 28.870 -2.705 -1.666 1.00 12.78 ? 145 LYS A CA 1
ATOM 1146 C C . LYS A 1 146 ? 28.470 -3.505 -0.452 1.00 11.18 ? 145 LYS A C 1
ATOM 1147 O O . LYS A 1 146 ? 28.752 -4.698 -0.374 1.00 16.11 ? 145 LYS A O 1
ATOM 1148 C CB . LYS A 1 146 ? 30.183 -1.968 -1.383 1.00 11.97 ? 145 LYS A CB 1
ATOM 1149 C CG . LYS A 1 146 ? 30.942 -1.512 -2.618 1.00 25.52 ? 145 LYS A CG 1
ATOM 1150 C CD . LYS A 1 146 ? 29.991 -1.135 -3.738 1.00 62.02 ? 145 LYS A CD 1
ATOM 1151 C CE . LYS A 1 146 ? 30.529 -0.033 -4.613 1.00 54.68 ? 145 LYS A CE 1
ATOM 1152 N NZ . LYS A 1 146 ? 29.441 0.506 -5.451 1.00 21.91 ? 145 LYS A NZ 1
ATOM 1153 N N . TYR A 1 147 ? 27.827 -2.840 0.503 1.00 13.94 ? 146 TYR A N 1
ATOM 1154 C CA . TYR A 1 147 ? 27.357 -3.498 1.721 1.00 14.36 ? 146 TYR A CA 1
ATOM 1155 C C . TYR A 1 147 ? 26.490 -4.689 1.319 1.00 14.40 ? 146 TYR A C 1
ATOM 1156 O O . TYR A 1 147 ? 26.687 -5.806 1.807 1.00 15.18 ? 146 TYR A O 1
ATOM 1157 C CB . TYR A 1 147 ? 26.505 -2.535 2.552 1.00 15.01 ? 146 TYR A CB 1
ATOM 1158 C CG . TYR A 1 147 ? 27.233 -1.771 3.637 1.00 15.73 ? 146 TYR A CG 1
ATOM 1159 C CD1 . TYR A 1 147 ? 28.619 -1.581 3.605 1.00 15.32 ? 146 TYR A CD1 1
ATOM 1160 C CD2 . TYR A 1 147 ? 26.523 -1.242 4.711 1.00 16.48 ? 146 TYR A CD2 1
ATOM 1161 C CE1 . TYR A 1 147 ? 29.274 -0.877 4.629 1.00 15.63 ? 146 TYR A CE1 1
ATOM 1162 C CE2 . TYR A 1 147 ? 27.163 -0.542 5.730 1.00 16.64 ? 146 TYR A CE2 1
ATOM 1163 C CZ . TYR A 1 147 ? 28.534 -0.363 5.688 1.00 16.33 ? 146 TYR A CZ 1
ATOM 1164 O OH . TYR A 1 147 ? 29.130 0.330 6.726 1.00 16.15 ? 146 TYR A OH 1
ATOM 1165 N N . LYS A 1 148 ? 25.547 -4.438 0.415 1.00 13.64 ? 147 LYS A N 1
ATOM 1166 C CA . LYS A 1 148 ? 24.632 -5.465 -0.085 1.00 17.22 ? 147 LYS A CA 1
ATOM 1167 C C . LYS A 1 148 ? 25.367 -6.639 -0.733 1.00 16.96 ? 147 LYS A C 1
ATOM 1168 O O . LYS A 1 148 ? 25.038 -7.798 -0.474 1.00 16.14 ? 147 LYS A O 1
ATOM 1169 C CB . LYS A 1 148 ? 23.629 -4.856 -1.070 1.00 18.24 ? 147 LYS A CB 1
ATOM 1170 C CG . LYS A 1 148 ? 22.622 -5.862 -1.601 1.00 40.13 ? 147 LYS A CG 1
ATOM 1171 C CD . LYS A 1 148 ? 21.596 -5.222 -2.524 1.00 59.10 ? 147 LYS A CD 1
ATOM 1172 C CE . LYS A 1 148 ? 20.771 -6.284 -3.255 1.00 68.72 ? 147 LYS A CE 1
ATOM 1173 N NZ . LYS A 1 148 ? 20.154 -7.292 -2.336 1.00 66.70 ? 147 LYS A NZ 1
ATOM 1174 N N . GLU A 1 149 ? 26.371 -6.342 -1.557 1.00 13.40 ? 148 GLU A N 1
ATOM 1175 C CA . GLU A 1 149 ? 27.161 -7.392 -2.212 1.00 16.09 ? 148 GLU A CA 1
ATOM 1176 C C . GLU A 1 149 ? 27.928 -8.224 -1.192 1.00 16.28 ? 148 GLU A C 1
ATOM 1177 O O . GLU A 1 149 ? 28.209 -9.401 -1.427 1.00 15.99 ? 148 GLU A O 1
ATOM 1178 C CB . GLU A 1 149 ? 28.165 -6.787 -3.191 1.00 12.33 ? 148 GLU A CB 1
ATOM 1179 C CG . GLU A 1 149 ? 27.525 -6.095 -4.375 1.00 29.74 ? 148 GLU A CG 1
ATOM 1180 C CD . GLU A 1 149 ? 28.537 -5.376 -5.246 1.00 38.56 ? 148 GLU A CD 1
ATOM 1181 O OE1 . GLU A 1 149 ? 29.668 -5.885 -5.394 1.00 41.47 ? 148 GLU A OE1 1
ATOM 1182 O OE2 . GLU A 1 149 ? 28.201 -4.297 -5.781 1.00 55.89 ? 148 GLU A OE2 1
ATOM 1183 N N . LEU A 1 150 ? 28.287 -7.597 -0.077 1.00 18.46 ? 149 LEU A N 1
ATOM 1184 C CA . LEU A 1 150 ? 29.039 -8.263 0.971 1.00 19.99 ? 149 LEU A CA 1
ATOM 1185 C C . LEU A 1 150 ? 28.157 -9.039 1.950 1.00 21.04 ? 149 LEU A C 1
ATOM 1186 O O . LEU A 1 150 ? 28.671 -9.745 2.818 1.00 21.25 ? 149 LEU A O 1
ATOM 1187 C CB . LEU A 1 150 ? 29.922 -7.253 1.722 1.00 19.62 ? 149 LEU A CB 1
ATOM 1188 C CG . LEU A 1 150 ? 31.019 -6.537 0.915 1.00 19.69 ? 149 LEU A CG 1
ATOM 1189 C CD1 . LEU A 1 150 ? 31.667 -5.457 1.768 1.00 19.35 ? 149 LEU A CD1 1
ATOM 1190 C CD2 . LEU A 1 150 ? 32.071 -7.516 0.423 1.00 19.37 ? 149 LEU A CD2 1
ATOM 1191 N N . GLY A 1 151 ? 26.840 -8.893 1.824 1.00 22.06 ? 150 GLY A N 1
ATOM 1192 C CA . GLY A 1 151 ? 25.928 -9.627 2.685 1.00 24.39 ? 150 GLY A CA 1
ATOM 1193 C C . GLY A 1 151 ? 25.458 -8.914 3.931 1.00 26.41 ? 150 GLY A C 1
ATOM 1194 O O . GLY A 1 151 ? 24.952 -9.540 4.862 1.00 26.03 ? 150 GLY A O 1
ATOM 1195 N N . TYR A 1 152 ? 25.577 -7.594 3.926 1.00 28.52 ? 151 TYR A N 1
ATOM 1196 C CA . TYR A 1 152 ? 25.182 -6.783 5.061 1.00 31.04 ? 151 TYR A CA 1
ATOM 1197 C C . TYR A 1 152 ? 24.092 -5.767 4.724 1.00 32.72 ? 151 TYR A C 1
ATOM 1198 O O . TYR A 1 152 ? 22.961 -5.891 5.185 1.00 33.29 ? 151 TYR A O 1
ATOM 1199 C CB . TYR A 1 152 ? 26.421 -6.073 5.616 1.00 31.20 ? 151 TYR A CB 1
ATOM 1200 C CG . TYR A 1 152 ? 26.163 -5.166 6.795 1.00 32.08 ? 151 TYR A CG 1
ATOM 1201 C CD1 . TYR A 1 152 ? 25.875 -5.682 8.055 1.00 32.38 ? 151 TYR A CD1 1
ATOM 1202 C CD2 . TYR A 1 152 ? 26.232 -3.789 6.654 1.00 32.59 ? 151 TYR A CD2 1
ATOM 1203 C CE1 . TYR A 1 152 ? 25.662 -4.838 9.144 1.00 32.51 ? 151 TYR A CE1 1
ATOM 1204 C CE2 . TYR A 1 152 ? 26.021 -2.941 7.733 1.00 32.87 ? 151 TYR A CE2 1
ATOM 1205 C CZ . TYR A 1 152 ? 25.737 -3.469 8.969 1.00 32.71 ? 151 TYR A CZ 1
ATOM 1206 O OH . TYR A 1 152 ? 25.525 -2.614 10.021 1.00 33.05 ? 151 TYR A OH 1
ATOM 1207 N N . GLN A 1 153 ? 24.446 -4.753 3.940 1.00 34.79 ? 152 GLN A N 1
ATOM 1208 C CA . GLN A 1 153 ? 23.530 -3.665 3.569 1.00 37.20 ? 152 GLN A CA 1
ATOM 1209 C C . GLN A 1 153 ? 22.709 -3.098 4.737 1.00 38.24 ? 152 GLN A C 1
ATOM 1210 O O . GLN A 1 153 ? 21.671 -2.466 4.532 1.00 38.67 ? 152 GLN A O 1
ATOM 1211 C CB . GLN A 1 153 ? 22.597 -4.059 2.422 1.00 38.53 ? 152 GLN A CB 1
ATOM 1212 C CG . GLN A 1 153 ? 22.461 -2.974 1.348 1.00 47.32 ? 152 GLN A CG 1
ATOM 1213 C CD . GLN A 1 153 ? 22.386 -1.558 1.909 1.00 53.70 ? 152 GLN A CD 1
ATOM 1214 O OE1 . GLN A 1 153 ? 23.408 -0.957 2.246 1.00 62.61 ? 152 GLN A OE1 1
ATOM 1215 N NE2 . GLN A 1 153 ? 21.174 -1.020 2.010 1.00 72.20 ? 152 GLN A NE2 1
ATOM 1216 N N . GLY A 1 154 ? 23.174 -3.342 5.957 1.00 39.00 ? 153 GLY A N 1
ATOM 1217 C CA . GLY A 1 154 ? 22.479 -2.839 7.122 1.00 40.00 ? 153 GLY A CA 1
ATOM 1218 C C . GLY A 1 154 ? 22.703 -1.350 7.301 1.00 40.37 ? 153 GLY A C 1
ATOM 1219 O O . GLY A 1 154 ? 22.020 -0.745 8.154 1.00 40.86 ? 153 GLY A O 1
ATOM 1220 O OXT . GLY A 1 154 ? 23.555 -0.774 6.580 1.00 40.85 ? 153 GLY A OXT 1
HETATM 1221 S S . SO4 B 2 . ? 30.496 18.509 28.824 1.00 46.32 ? 157 SO4 A S 1
HETATM 1222 O O1 . SO4 B 2 . ? 30.458 19.899 28.521 1.00 46.43 ? 157 SO4 A O1 1
HETATM 1223 O O2 . SO4 B 2 . ? 30.763 17.789 27.638 1.00 45.67 ? 157 SO4 A O2 1
HETATM 1224 O O3 . SO4 B 2 . ? 29.246 18.025 29.362 1.00 46.00 ? 157 SO4 A O3 1
HETATM 1225 O O4 . SO4 B 2 . ? 31.503 18.364 29.781 1.00 46.24 ? 157 SO4 A O4 1
HETATM 1226 C CHA . HEM C 3 . ? 38.084 2.453 11.203 1.00 12.15 ? 155 HEM A CHA 1
HETATM 1227 C CHB . HEM C 3 . ? 37.349 5.339 7.488 1.00 10.57 ? 155 HEM A CHB 1
HETATM 1228 C CHC . HEM C 3 . ? 32.904 6.170 9.172 1.00 11.11 ? 155 HEM A CHC 1
HETATM 1229 C CHD . HEM C 3 . ? 33.710 3.338 12.932 1.00 11.90 ? 155 HEM A CHD 1
HETATM 1230 C C1A . HEM C 3 . ? 38.253 3.145 10.042 1.00 11.35 ? 155 HEM A C1A 1
HETATM 1231 C C2A . HEM C 3 . ? 39.498 3.163 9.301 1.00 11.44 ? 155 HEM A C2A 1
HETATM 1232 C C3A . HEM C 3 . ? 39.252 3.984 8.253 1.00 10.63 ? 155 HEM A C3A 1
HETATM 1233 C C4A . HEM C 3 . ? 37.923 4.467 8.377 1.00 10.48 ? 155 HEM A C4A 1
HETATM 1234 C CMA . HEM C 3 . ? 40.219 4.239 7.078 1.00 10.02 ? 155 HEM A CMA 1
HETATM 1235 C CAA . HEM C 3 . ? 40.781 2.303 9.305 1.00 13.24 ? 155 HEM A CAA 1
HETATM 1236 C CBA . HEM C 3 . ? 40.856 0.850 8.860 1.00 15.50 ? 155 HEM A CBA 1
HETATM 1237 C CGA . HEM C 3 . ? 39.506 0.169 8.798 1.00 16.95 ? 155 HEM A CGA 1
HETATM 1238 O O1A . HEM C 3 . ? 39.102 -0.425 9.819 1.00 18.61 ? 155 HEM A O1A 1
HETATM 1239 O O2A . HEM C 3 . ? 38.852 0.225 7.733 1.00 18.06 ? 155 HEM A O2A 1
HETATM 1240 C C1B . HEM C 3 . ? 36.047 5.809 7.593 1.00 10.58 ? 155 HEM A C1B 1
HETATM 1241 C C2B . HEM C 3 . ? 35.436 6.764 6.681 1.00 10.41 ? 155 HEM A C2B 1
HETATM 1242 C C3B . HEM C 3 . ? 34.178 7.007 7.167 1.00 10.83 ? 155 HEM A C3B 1
HETATM 1243 C C4B . HEM C 3 . ? 34.035 6.172 8.359 1.00 10.71 ? 155 HEM A C4B 1
HETATM 1244 C CMB . HEM C 3 . ? 36.031 7.334 5.371 1.00 9.85 ? 155 HEM A CMB 1
HETATM 1245 C CAB . HEM C 3 . ? 33.216 7.991 6.823 1.00 11.28 ? 155 HEM A CAB 1
HETATM 1246 C CBB . HEM C 3 . ? 33.239 9.089 5.937 1.00 12.26 ? 155 HEM A CBB 1
HETATM 1247 C C1C . HEM C 3 . ? 32.727 5.463 10.352 1.00 10.60 ? 155 HEM A C1C 1
HETATM 1248 C C2C . HEM C 3 . ? 31.588 5.616 11.240 1.00 10.77 ? 155 HEM A C2C 1
HETATM 1249 C C3C . HEM C 3 . ? 31.836 4.815 12.309 1.00 11.44 ? 155 HEM A C3C 1
HETATM 1250 C C4C . HEM C 3 . ? 33.094 4.200 12.059 1.00 11.10 ? 155 HEM A C4C 1
HETATM 1251 C CMC . HEM C 3 . ? 30.394 6.567 11.017 1.00 10.73 ? 155 HEM A CMC 1
HETATM 1252 C CAC . HEM C 3 . ? 31.146 4.632 13.544 1.00 12.26 ? 155 HEM A CAC 1
HETATM 1253 C CBC . HEM C 3 . ? 29.977 5.269 14.051 1.00 13.23 ? 155 HEM A CBC 1
HETATM 1254 C C1D . HEM C 3 . ? 34.973 2.797 12.754 1.00 12.59 ? 155 HEM A C1D 1
HETATM 1255 C C2D . HEM C 3 . ? 35.625 1.961 13.741 1.00 13.55 ? 155 HEM A C2D 1
HETATM 1256 C C3D . HEM C 3 . ? 36.844 1.764 13.242 1.00 14.50 ? 155 HEM A C3D 1
HETATM 1257 C C4D . HEM C 3 . ? 36.945 2.429 11.972 1.00 13.25 ? 155 HEM A C4D 1
HETATM 1258 C CMD . HEM C 3 . ? 35.021 1.358 14.998 1.00 13.20 ? 155 HEM A CMD 1
HETATM 1259 C CAD . HEM C 3 . ? 38.057 1.152 13.864 1.00 17.74 ? 155 HEM A CAD 1
HETATM 1260 C CBD . HEM C 3 . ? 38.571 1.921 15.060 1.00 22.63 ? 155 HEM A CBD 1
HETATM 1261 C CGD . HEM C 3 . ? 39.919 1.414 15.491 1.00 24.88 ? 155 HEM A CGD 1
HETATM 1262 O O1D . HEM C 3 . ? 40.022 0.869 16.612 1.00 27.95 ? 155 HEM A O1D 1
HETATM 1263 O O2D . HEM C 3 . ? 40.875 1.547 14.692 1.00 28.34 ? 155 HEM A O2D 1
HETATM 1264 N NA . HEM C 3 . ? 37.298 3.940 9.488 1.00 10.03 ? 155 HEM A NA 1
HETATM 1265 N NB . HEM C 3 . ? 35.178 5.440 8.621 1.00 10.26 ? 155 HEM A NB 1
HETATM 1266 N NC . HEM C 3 . ? 33.637 4.608 10.860 1.00 11.11 ? 155 HEM A NC 1
HETATM 1267 N ND . HEM C 3 . ? 35.802 3.057 11.670 1.00 12.11 ? 155 HEM A ND 1
HETATM 1268 FE FE . HEM C 3 . ? 35.478 4.222 10.130 1.00 10.59 ? 155 HEM A FE 1
HETATM 1269 O O . HOH D 4 . ? 36.144 5.754 11.403 1.00 15.54 ? 156 HOH A O 1
HETATM 1270 O O . HOH D 4 . ? 35.809 -2.569 15.416 0.45 9.86 ? 201 HOH A O 1
HETATM 1271 O O . HOH D 4 . ? 32.720 19.906 17.089 0.86 15.72 ? 202 HOH A O 1
HETATM 1272 O O . HOH D 4 . ? 26.078 14.335 13.232 0.90 24.12 ? 203 HOH A O 1
HETATM 1273 O O . HOH D 4 . ? 22.302 7.520 2.561 1.00 27.39 ? 204 HOH A O 1
HETATM 1274 O O . HOH D 4 . ? 30.882 6.728 -8.735 0.86 35.08 ? 205 HOH A O 1
HETATM 1275 O O . HOH D 4 . ? 24.417 30.291 6.826 0.68 25.29 ? 206 HOH A O 1
HETATM 1276 O O . HOH D 4 . ? 25.005 14.317 2.905 1.00 25.78 ? 207 HOH A O 1
HETATM 1277 O O . HOH D 4 . ? 21.980 13.814 1.988 0.74 23.77 ? 208 HOH A O 1
HETATM 1278 O O . HOH D 4 . ? 29.872 8.940 35.500 1.00 23.82 ? 209 HOH A O 1
HETATM 1279 O O . HOH D 4 . ? 30.407 11.708 35.811 1.00 16.41 ? 210 HOH A O 1
HETATM 1280 O O . HOH D 4 . ? 31.800 13.157 -12.133 1.00 16.61 ? 211 HOH A O 1
HETATM 1281 O O . HOH D 4 . ? 34.534 13.101 33.334 1.00 14.53 ? 212 HOH A O 1
HETATM 1282 O O . HOH D 4 . ? 35.696 30.766 4.647 0.78 17.31 ? 213 HOH A O 1
HETATM 1283 O O . HOH D 4 . ? 37.687 28.928 4.315 0.86 7.58 ? 214 HOH A O 1
HETATM 1284 O O . HOH D 4 . ? 38.820 28.939 7.913 0.98 12.46 ? 215 HOH A O 1
HETATM 1285 O O . HOH D 4 . ? 35.289 33.294 5.305 0.38 4.14 ? 216 HOH A O 1
HETATM 1286 O O . HOH D 4 . ? 45.089 12.815 -0.705 0.53 18.34 ? 217 HOH A O 1
HETATM 1287 O O . HOH D 4 . ? 22.099 26.458 -4.278 0.53 24.02 ? 218 HOH A O 1
HETATM 1288 O O . HOH D 4 . ? 34.105 25.790 -2.181 0.87 15.49 ? 219 HOH A O 1
HETATM 1289 O O . HOH D 4 . ? 43.386 5.547 13.683 0.89 30.33 ? 220 HOH A O 1
HETATM 1290 O O . HOH D 4 . ? 35.357 15.530 -13.815 1.00 32.50 ? 221 HOH A O 1
HETATM 1291 O O . HOH D 4 . ? 34.766 10.228 -5.348 1.00 10.94 ? 222 HOH A O 1
HETATM 1292 O O . HOH D 4 . ? 43.614 11.103 -6.806 0.81 40.08 ? 223 HOH A O 1
HETATM 1293 O O . HOH D 4 . ? 41.482 19.372 -2.355 0.62 15.76 ? 224 HOH A O 1
HETATM 1294 O O . HOH D 4 . ? 28.741 28.469 -2.840 0.75 18.19 ? 225 HOH A O 1
HETATM 1295 O O . HOH D 4 . ? 36.996 2.363 26.338 0.67 20.27 ? 226 HOH A O 1
HETATM 1296 O O . HOH D 4 . ? 37.279 29.652 10.915 0.90 17.03 ? 227 HOH A O 1
HETATM 1297 O O . HOH D 4 . ? 48.962 23.633 7.839 0.62 7.65 ? 228 HOH A O 1
HETATM 1298 O O . HOH D 4 . ? 24.789 31.130 -0.305 0.51 27.16 ? 229 HOH A O 1
HETATM 1299 O O . HOH D 4 . ? 47.146 20.109 12.013 0.85 26.81 ? 230 HOH A O 1
HETATM 1300 O O . HOH D 4 . ? 41.534 14.428 14.201 0.50 15.77 ? 231 HOH A O 1
HETATM 1301 O O . HOH D 4 . ? 25.441 17.145 13.295 0.85 30.70 ? 232 HOH A O 1
HETATM 1302 O O . HOH D 4 . ? 27.341 6.672 23.985 0.47 15.52 ? 233 HOH A O 1
HETATM 1303 O O . HOH D 4 . ? 36.084 -0.402 17.941 0.88 36.10 ? 234 HOH A O 1
HETATM 1304 O O . HOH D 4 . ? 32.699 -1.501 16.265 0.32 6.19 ? 235 HOH A O 1
HETATM 1305 O O . HOH D 4 . ? 43.108 6.708 6.390 0.35 2.00 ? 236 HOH A O 1
HETATM 1306 O O . HOH D 4 . ? 26.036 30.032 -3.403 0.97 34.00 ? 237 HOH A O 1
HETATM 1307 O O . HOH D 4 . ? 43.598 12.324 1.667 0.94 23.46 ? 238 HOH A O 1
HETATM 1308 O O . HOH D 4 . ? 23.248 31.799 4.749 0.90 26.50 ? 239 HOH A O 1
HETATM 1309 O O . HOH D 4 . ? 34.672 29.936 12.196 0.71 23.07 ? 240 HOH A O 1
HETATM 1310 O O . HOH D 4 . ? 42.690 14.618 3.419 1.00 43.46 ? 241 HOH A O 1
HETATM 1311 O O . HOH D 4 . ? 42.951 9.843 -4.248 0.90 17.12 ? 242 HOH A O 1
HETATM 1312 O O . HOH D 4 . ? 40.436 6.034 0.917 0.41 2.58 ? 243 HOH A O 1
HETATM 1313 O O . HOH D 4 . ? 39.764 10.505 -10.885 0.99 34.12 ? 244 HOH A O 1
HETATM 1314 O O . HOH D 4 . ? 40.209 3.848 -7.625 1.00 49.98 ? 245 HOH A O 1
HETATM 1315 O O . HOH D 4 . ? 39.819 3.142 1.253 0.90 30.80 ? 246 HOH A O 1
HETATM 1316 O O . HOH D 4 . ? 40.703 -2.418 -3.864 0.27 4.80 ? 247 HOH A O 1
HETATM 1317 O O . HOH D 4 . ? 27.335 25.144 11.292 1.00 30.32 ? 248 HOH A O 1
HETATM 1318 O O . HOH D 4 . ? 31.020 30.610 11.394 0.80 32.55 ? 249 HOH A O 1
HETATM 1319 O O . HOH D 4 . ? 21.046 2.065 8.757 0.73 22.07 ? 250 HOH A O 1
HETATM 1320 O O . HOH D 4 . ? 31.855 3.438 -7.885 0.35 23.02 ? 251 HOH A O 1
HETATM 1321 O O . HOH D 4 . ? 33.593 28.418 -2.964 0.98 37.30 ? 252 HOH A O 1
HETATM 1322 O O . HOH D 4 . ? 27.412 -10.611 -3.947 0.37 7.11 ? 253 HOH A O 1
HETATM 1323 O O . HOH D 4 . ? 24.483 -4.300 -4.623 0.60 20.88 ? 254 HOH A O 1
HETATM 1324 O O . HOH D 4 . ? 26.180 22.991 -6.418 0.98 26.54 ? 255 HOH A O 1
HETATM 1325 O O . HOH D 4 . ? 31.820 21.765 -1.090 0.65 20.62 ? 256 HOH A O 1
HETATM 1326 O O . HOH D 4 . ? 44.080 26.514 -1.006 1.00 40.34 ? 257 HOH A O 1
HETATM 1327 O O . HOH D 4 . ? 40.595 12.222 27.663 0.48 10.14 ? 258 HOH A O 1
HETATM 1328 O O . HOH D 4 . ? 47.385 24.358 10.900 0.82 38.78 ? 259 HOH A O 1
HETATM 1329 O O . HOH D 4 . ? 44.884 21.383 14.998 0.73 19.71 ? 260 HOH A O 1
HETATM 1330 O O . HOH D 4 . ? 39.663 26.337 9.912 1.00 15.58 ? 261 HOH A O 1
HETATM 1331 O O . HOH D 4 . ? 28.039 30.216 4.506 0.84 31.49 ? 262 HOH A O 1
HETATM 1332 O O . HOH D 4 . ? 41.077 14.580 20.403 0.90 17.99 ? 263 HOH A O 1
HETATM 1333 O O . HOH D 4 . ? 27.932 12.266 23.634 1.00 38.87 ? 264 HOH A O 1
HETATM 1334 O O . HOH D 4 . ? 40.436 19.090 27.025 0.56 18.91 ? 265 HOH A O 1
HETATM 1335 O O . HOH D 4 . ? 38.852 12.239 32.795 0.66 28.16 ? 266 HOH A O 1
HETATM 1336 O O . HOH D 4 . ? 23.460 15.577 5.090 0.97 44.35 ? 267 HOH A O 1
HETATM 1337 O O . HOH D 4 . ? 31.026 29.258 -1.449 0.63 31.10 ? 268 HOH A O 1
HETATM 1338 O O . HOH D 4 . ? 41.239 8.290 24.673 0.79 29.23 ? 269 HOH A O 1
HETATM 1339 O O . HOH D 4 . ? 25.987 2.074 18.554 0.92 35.96 ? 270 HOH A O 1
HETATM 1340 O O . HOH D 4 . ? 23.033 1.881 -3.429 0.99 26.77 ? 271 HOH A O 1
HETATM 1341 O O . HOH D 4 . ? 38.624 21.577 26.423 1.00 50.64 ? 272 HOH A O 1
HETATM 1342 O O . HOH D 4 . ? 20.347 9.621 17.104 0.83 37.90 ? 273 HOH A O 1
HETATM 1343 O O . HOH D 4 . ? 24.538 19.781 8.995 0.88 49.64 ? 274 HOH A O 1
HETATM 1344 O O . HOH D 4 . ? 39.802 21.115 17.143 0.75 34.03 ? 275 HOH A O 1
HETATM 1345 O O . HOH D 4 . ? 31.091 21.833 -14.957 0.57 13.15 ? 276 HOH A O 1
HETATM 1346 O O . HOH D 4 . ? 21.933 -0.636 -2.690 0.23 2.00 ? 277 HOH A O 1
HETATM 1347 O O . HOH D 4 . ? 25.111 20.460 -6.450 0.37 9.57 ? 278 HOH A O 1
HETATM 1348 O O . HOH D 4 . ? 41.930 15.166 -7.857 0.65 22.60 ? 279 HOH A O 1
HETATM 1349 O O . HOH D 4 . ? 32.138 10.669 -3.481 0.76 20.19 ? 280 HOH A O 1
HETATM 1350 O O . HOH D 4 . ? 48.629 20.893 14.353 0.93 44.29 ? 281 HOH A O 1
HETATM 1351 O O . HOH D 4 . ? 34.355 23.339 14.406 1.00 43.27 ? 282 HOH A O 1
HETATM 1352 O O . HOH D 4 . ? 44.901 11.015 -2.802 0.73 22.95 ? 283 HOH A O 1
HETATM 1353 O O . HOH D 4 . ? 31.872 6.422 30.631 0.79 35.09 ? 284 HOH A O 1
HETATM 1354 O O . HOH D 4 . ? 36.862 24.424 16.101 0.61 24.20 ? 285 HOH A O 1
HETATM 1355 O O . HOH D 4 . ? 21.851 13.516 9.658 0.98 46.93 ? 286 HOH A O 1
HETATM 1356 O O . HOH D 4 . ? 45.529 9.159 1.236 0.93 37.11 ? 287 HOH A O 1
HETATM 1357 O O . HOH D 4 . ? 30.235 19.920 18.482 0.91 37.96 ? 288 HOH A O 1
HETATM 1358 O O . HOH D 4 . ? 44.983 24.866 1.918 0.99 43.38 ? 289 HOH A O 1
HETATM 1359 O O . HOH D 4 . ? 40.409 5.893 -10.518 0.55 29.15 ? 290 HOH A O 1
HETATM 1360 O O . HOH D 4 . ? 32.661 25.378 -9.675 0.40 10.38 ? 291 HOH A O 1
HETATM 1361 O O . HOH D 4 . ? 23.143 1.911 -6.144 1.00 45.91 ? 292 HOH A O 1
HETATM 1362 O O . HOH D 4 . ? 45.782 8.635 11.805 0.44 14.99 ? 293 HOH A O 1
HETATM 1363 O O . HOH D 4 . ? 34.716 31.089 -2.438 1.00 48.32 ? 294 HOH A O 1
HETATM 1364 O O . HOH D 4 . ? 22.931 5.045 1.014 0.58 22.66 ? 295 HOH A O 1
HETATM 1365 O O . HOH D 4 . ? 25.363 17.701 -12.277 0.66 35.23 ? 296 HOH A O 1
HETATM 1366 O O . HOH D 4 . ? 33.227 19.662 28.351 1.00 27.38 ? 297 HOH A O 1
HETATM 1367 O O . HOH D 4 . ? 38.996 23.243 -6.890 0.71 30.52 ? 298 HOH A O 1
HETATM 1368 O O . HOH D 4 . ? 44.304 15.832 21.582 0.88 44.42 ? 299 HOH A O 1
HETATM 1369 O O . HOH D 4 . ? 30.596 7.204 27.407 0.76 31.89 ? 300 HOH A O 1
HETATM 1370 O O . HOH D 4 . ? 38.845 2.159 -8.980 0.71 43.42 ? 301 HOH A O 1
HETATM 1371 O O . HOH D 4 . ? 43.243 17.994 -5.209 0.82 40.48 ? 302 HOH A O 1
HETATM 1372 O O . HOH D 4 . ? 46.109 12.446 -4.845 0.85 51.33 ? 303 HOH A O 1
HETATM 1373 O O . HOH D 4 . ? 28.878 29.843 9.534 0.42 13.43 ? 304 HOH A O 1
HETATM 1374 O O . HOH D 4 . ? 31.326 32.630 13.400 0.51 23.94 ? 305 HOH A O 1
HETATM 1375 O O . HOH D 4 . ? 38.751 6.211 12.283 1.00 18.44 ? 306 HOH A O 1
HETATM 1376 O O . HOH D 4 . ? 34.112 26.130 14.497 0.61 27.08 ? 307 HOH A O 1
HETATM 1377 O O . HOH D 4 . ? 38.211 1.927 18.691 0.70 32.18 ? 308 HOH A O 1
HETATM 1378 O O . HOH D 4 . ? 36.250 4.525 -13.252 0.69 30.05 ? 309 HOH A O 1
HETATM 1379 O O . HOH D 4 . ? 42.503 2.208 0.192 0.86 37.62 ? 310 HOH A O 1
HETATM 1380 O O . HOH D 4 . ? 27.119 5.038 -8.658 0.89 44.53 ? 311 HOH A O 1
HETATM 1381 O O . HOH D 4 . ? 46.042 9.069 7.973 0.42 19.96 ? 312 HOH A O 1
HETATM 1382 O O . HOH D 4 . ? 40.853 23.031 15.173 0.80 34.08 ? 313 HOH A O 1
HETATM 1383 O O . HOH D 4 . ? 20.650 27.027 -0.675 0.58 30.45 ? 314 HOH A O 1
HETATM 1384 O O . HOH D 4 . ? 19.377 15.455 1.237 0.42 21.59 ? 315 HOH A O 1
HETATM 1385 O O . HOH D 4 . ? 40.691 4.414 13.725 0.57 34.06 ? 316 HOH A O 1
HETATM 1386 O O . HOH D 4 . ? 24.323 14.136 23.606 0.96 49.15 ? 317 HOH A O 1
HETATM 1387 O O . HOH D 4 . ? 30.275 11.067 25.971 0.45 24.90 ? 318 HOH A O 1
HETATM 1388 O O . HOH D 4 . ? 28.820 23.012 -14.398 0.58 34.36 ? 319 HOH A O 1
HETATM 1389 O O . HOH D 4 . ? 35.550 2.160 -14.421 0.56 30.73 ? 320 HOH A O 1
HETATM 1390 O O . HOH D 4 . ? 26.311 2.064 -6.763 0.46 26.85 ? 321 HOH A O 1
HETATM 1391 O O . HOH D 4 . ? 31.315 -8.294 -5.011 0.46 26.50 ? 322 HOH A O 1
HETATM 1392 O O . HOH D 4 . ? 19.354 25.622 -3.923 0.62 40.84 ? 323 HOH A O 1
HETATM 1393 O O . HOH D 4 . ? 39.756 -5.692 2.471 0.61 29.74 ? 324 HOH A O 1
HETATM 1394 O O . HOH D 4 . ? 27.235 31.295 6.894 0.52 29.09 ? 325 HOH A O 1
HETATM 1395 O O . HOH D 4 . ? 28.005 -8.098 9.017 0.39 20.46 ? 326 HOH A O 1
HETATM 1396 O O . HOH D 4 . ? 24.228 -3.112 12.264 0.39 22.56 ? 327 HOH A O 1
HETATM 1397 O O . HOH D 4 . ? 42.763 2.840 12.280 0.59 31.68 ? 328 HOH A O 1
HETATM 1398 O O . HOH D 4 . ? 20.961 15.301 17.295 0.60 32.67 ? 329 HOH A O 1
HETATM 1399 O O . HOH D 4 . ? 25.631 18.639 18.587 0.73 38.59 ? 330 HOH A O 1
HETATM 1400 O O . HOH D 4 . ? 41.315 5.536 24.304 0.49 35.96 ? 331 HOH A O 1
HETATM 1401 O O . HOH D 4 . ? 45.428 10.952 25.285 0.54 27.00 ? 332 HOH A O 1
HETATM 1402 O O . HOH D 4 . ? 39.198 15.023 -13.907 0.53 33.19 ? 333 HOH A O 1
HETATM 1403 O O . HOH D 4 . ? 26.997 22.284 -12.525 0.49 32.97 ? 334 HOH A O 1
HETATM 1404 O O . HOH D 4 . ? 32.342 1.648 -5.941 0.36 25.48 ? 335 HOH A O 1
HETATM 1405 O O . HOH D 4 . ? 44.481 19.681 -1.554 0.43 27.70 ? 336 HOH A O 1
HETATM 1406 O O . HOH D 4 . ? 19.791 9.220 9.182 0.56 38.23 ? 337 HOH A O 1
HETATM 1407 O O . HOH D 4 . ? 34.203 31.163 14.822 0.59 32.09 ? 338 HOH A O 1
HETATM 1408 O O . HOH D 4 . ? 18.367 9.395 15.260 0.56 33.73 ? 339 HOH A O 1
HETATM 1409 O O . HOH D 4 . ? 21.972 14.805 20.979 0.57 30.12 ? 340 HOH A O 1
HETATM 1410 O O . HOH D 4 . ? 33.470 -0.854 -4.262 0.52 28.74 ? 341 HOH A O 1
HETATM 1411 O O . HOH D 4 . ? 22.575 24.287 -2.606 0.43 29.70 ? 342 HOH A O 1
HETATM 1412 O O . HOH D 4 . ? 22.240 7.639 -3.096 0.48 32.51 ? 343 HOH A O 1
HETATM 1413 O O . HOH D 4 . ? 27.808 31.684 -2.151 0.47 30.12 ? 344 HOH A O 1
HETATM 1414 O O . HOH D 4 . ? 22.873 8.351 -0.576 0.52 25.11 ? 345 HOH A O 1
HETATM 1415 O O . HOH D 4 . ? 32.753 24.245 -0.422 0.34 33.11 ? 346 HOH A O 1
HETATM 1416 O O . HOH D 4 . ? 20.818 3.110 1.969 0.55 28.70 ? 347 HOH A O 1
HETATM 1417 O O . HOH D 4 . ? 21.687 1.047 6.500 0.44 33.04 ? 348 HOH A O 1
HETATM 1418 O O . HOH D 4 . ? 44.016 3.183 6.980 0.46 27.76 ? 349 HOH A O 1
HETATM 1419 O O . HOH D 4 . ? 31.348 29.185 13.989 0.51 29.17 ? 350 HOH A O 1
HETATM 1420 O O . HOH D 4 . ? 17.886 6.997 14.175 0.49 30.17 ? 351 HOH A O 1
HETATM 1421 O O . HOH D 4 . ? 48.947 18.764 18.533 0.44 29.43 ? 352 HOH A O 1
HETATM 1422 O O . HOH D 4 . ? 44.060 8.591 24.273 0.53 29.69 ? 353 HOH A O 1
HETATM 1423 O O . HOH D 4 . ? 39.764 23.195 24.466 0.43 29.89 ? 354 HOH A O 1
#