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boltzgen/example/hard_targets/3ch4.cif
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data_3CH4
#
_entry.id 3CH4
#
_audit_conform.dict_name mmcif_pdbx.dic
_audit_conform.dict_version 5.388
_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 3CH4 pdb_00003ch4 10.2210/pdb3ch4/pdb
RCSB RCSB046769 ? ?
WWPDB D_1000046769 ? ?
#
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 2008-07-29
2 'Structure model' 1 1 2011-07-13
3 'Structure model' 1 2 2024-03-13
#
_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' 'Data collection'
3 3 'Structure model' 'Database references'
4 3 'Structure model' 'Derived calculations'
#
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 3 'Structure model' chem_comp_atom
2 3 'Structure model' chem_comp_bond
3 3 'Structure model' database_2
4 3 'Structure model' struct_ref_seq_dif
5 3 'Structure model' struct_site
#
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 3 'Structure model' '_database_2.pdbx_DOI'
2 3 'Structure model' '_database_2.pdbx_database_accession'
3 3 'Structure model' '_struct_ref_seq_dif.details'
4 3 'Structure model' '_struct_site.pdbx_auth_asym_id'
5 3 'Structure model' '_struct_site.pdbx_auth_comp_id'
6 3 'Structure model' '_struct_site.pdbx_auth_seq_id'
#
_pdbx_database_status.status_code REL
_pdbx_database_status.entry_id 3CH4
_pdbx_database_status.recvd_initial_deposition_date 2008-03-07
_pdbx_database_status.deposit_site RCSB
_pdbx_database_status.process_site PDBJ
_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.status_code_nmr_data ?
_pdbx_database_status.methods_development_category ?
#
loop_
_audit_author.name
_audit_author.pdbx_ordinal
'Liang, D.-C.' 1
'Chang, Q.' 2
'Yan, X.-X.' 3
'Gu, S.-Y.' 4
#
_citation.id primary
_citation.title 'Crystal structure of human phosphomavelonate kinase at 1.8 A resolution'
_citation.journal_abbrev Proteins
_citation.journal_volume 73
_citation.page_first 254
_citation.page_last 258
_citation.year 2008
_citation.journal_id_ASTM PSFGEY
_citation.country US
_citation.journal_id_ISSN 0887-3585
_citation.journal_id_CSD 0867
_citation.book_publisher ?
_citation.pdbx_database_id_PubMed 18618710
_citation.pdbx_database_id_DOI 10.1002/prot.22151
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
_citation_author.identifier_ORCID
primary 'Chang, Q.' 1 ?
primary 'Yan, X.-X.' 2 ?
primary 'Gu, S.-Y.' 3 ?
primary 'Liu, J.-F.' 4 ?
primary 'Liang, D.-C.' 5 ?
#
loop_
_entity.id
_entity.type
_entity.src_method
_entity.pdbx_description
_entity.formula_weight
_entity.pdbx_number_of_molecules
_entity.pdbx_ec
_entity.pdbx_mutation
_entity.pdbx_fragment
_entity.details
1 polymer man 'Phosphomevalonate kinase' 23238.232 1 2.7.4.2 ? ? ?
2 non-polymer syn 'SULFATE ION' 96.063 2 ? ? ? ?
3 non-polymer syn '(4S)-2-METHYL-2,4-PENTANEDIOL' 118.174 2 ? ? ? ?
4 water nat water 18.015 148 ? ? ? ?
#
_entity_name_com.entity_id 1
_entity_name_com.name PMKase
#
_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
;GSMAPLGGAPRLVLLFSGKRKSGKDFVTEALQSRLGADVCAVLRLSGPLKEQYAQEHGLNFQRLLDTSTYKEAFRKDMIR
WGEEKRQADPGFFCRKIVEGISQPIWLVSDTRRVSDIQWFREAYGAVTQTVRVVALEQSRQQRGWVFTPGVDDAESECGL
DNFGDFDWVIENHGVEQRLEEQLENLIEFIRSRLKLHHHHHH
;
_entity_poly.pdbx_seq_one_letter_code_can
;GSMAPLGGAPRLVLLFSGKRKSGKDFVTEALQSRLGADVCAVLRLSGPLKEQYAQEHGLNFQRLLDTSTYKEAFRKDMIR
WGEEKRQADPGFFCRKIVEGISQPIWLVSDTRRVSDIQWFREAYGAVTQTVRVVALEQSRQQRGWVFTPGVDDAESECGL
DNFGDFDWVIENHGVEQRLEEQLENLIEFIRSRLKLHHHHHH
;
_entity_poly.pdbx_strand_id B
_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 '(4S)-2-METHYL-2,4-PENTANEDIOL' MPD
4 water HOH
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 GLY n
1 2 SER n
1 3 MET n
1 4 ALA n
1 5 PRO n
1 6 LEU n
1 7 GLY n
1 8 GLY n
1 9 ALA n
1 10 PRO n
1 11 ARG n
1 12 LEU n
1 13 VAL n
1 14 LEU n
1 15 LEU n
1 16 PHE n
1 17 SER n
1 18 GLY n
1 19 LYS n
1 20 ARG n
1 21 LYS n
1 22 SER n
1 23 GLY n
1 24 LYS n
1 25 ASP n
1 26 PHE n
1 27 VAL n
1 28 THR n
1 29 GLU n
1 30 ALA n
1 31 LEU n
1 32 GLN n
1 33 SER n
1 34 ARG n
1 35 LEU n
1 36 GLY n
1 37 ALA n
1 38 ASP n
1 39 VAL n
1 40 CYS n
1 41 ALA n
1 42 VAL n
1 43 LEU n
1 44 ARG n
1 45 LEU n
1 46 SER n
1 47 GLY n
1 48 PRO n
1 49 LEU n
1 50 LYS n
1 51 GLU n
1 52 GLN n
1 53 TYR n
1 54 ALA n
1 55 GLN n
1 56 GLU n
1 57 HIS n
1 58 GLY n
1 59 LEU n
1 60 ASN n
1 61 PHE n
1 62 GLN n
1 63 ARG n
1 64 LEU n
1 65 LEU n
1 66 ASP n
1 67 THR n
1 68 SER n
1 69 THR n
1 70 TYR n
1 71 LYS n
1 72 GLU n
1 73 ALA n
1 74 PHE n
1 75 ARG n
1 76 LYS n
1 77 ASP n
1 78 MET n
1 79 ILE n
1 80 ARG n
1 81 TRP n
1 82 GLY n
1 83 GLU n
1 84 GLU n
1 85 LYS n
1 86 ARG n
1 87 GLN n
1 88 ALA n
1 89 ASP n
1 90 PRO n
1 91 GLY n
1 92 PHE n
1 93 PHE n
1 94 CYS n
1 95 ARG n
1 96 LYS n
1 97 ILE n
1 98 VAL n
1 99 GLU n
1 100 GLY n
1 101 ILE n
1 102 SER n
1 103 GLN n
1 104 PRO n
1 105 ILE n
1 106 TRP n
1 107 LEU n
1 108 VAL n
1 109 SER n
1 110 ASP n
1 111 THR n
1 112 ARG n
1 113 ARG n
1 114 VAL n
1 115 SER n
1 116 ASP n
1 117 ILE n
1 118 GLN n
1 119 TRP n
1 120 PHE n
1 121 ARG n
1 122 GLU n
1 123 ALA n
1 124 TYR n
1 125 GLY n
1 126 ALA n
1 127 VAL n
1 128 THR n
1 129 GLN n
1 130 THR n
1 131 VAL n
1 132 ARG n
1 133 VAL n
1 134 VAL n
1 135 ALA n
1 136 LEU n
1 137 GLU n
1 138 GLN n
1 139 SER n
1 140 ARG n
1 141 GLN n
1 142 GLN n
1 143 ARG n
1 144 GLY n
1 145 TRP n
1 146 VAL n
1 147 PHE n
1 148 THR n
1 149 PRO n
1 150 GLY n
1 151 VAL n
1 152 ASP n
1 153 ASP n
1 154 ALA n
1 155 GLU n
1 156 SER n
1 157 GLU n
1 158 CYS n
1 159 GLY n
1 160 LEU n
1 161 ASP n
1 162 ASN n
1 163 PHE n
1 164 GLY n
1 165 ASP n
1 166 PHE n
1 167 ASP n
1 168 TRP n
1 169 VAL n
1 170 ILE n
1 171 GLU n
1 172 ASN n
1 173 HIS n
1 174 GLY n
1 175 VAL n
1 176 GLU n
1 177 GLN n
1 178 ARG n
1 179 LEU n
1 180 GLU n
1 181 GLU n
1 182 GLN n
1 183 LEU n
1 184 GLU n
1 185 ASN n
1 186 LEU n
1 187 ILE n
1 188 GLU n
1 189 PHE n
1 190 ILE n
1 191 ARG n
1 192 SER n
1 193 ARG n
1 194 LEU n
1 195 LYS n
1 196 LEU n
1 197 HIS n
1 198 HIS n
1 199 HIS n
1 200 HIS n
1 201 HIS n
1 202 HIS 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 Human
_entity_src_gen.gene_src_genus ?
_entity_src_gen.pdbx_gene_src_gene ?
_entity_src_gen.gene_src_species ?
_entity_src_gen.gene_src_strain ?
_entity_src_gen.gene_src_tissue ?
_entity_src_gen.gene_src_tissue_fraction ?
_entity_src_gen.gene_src_details ?
_entity_src_gen.pdbx_gene_src_fragment ?
_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens'
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606
_entity_src_gen.pdbx_gene_src_variant ?
_entity_src_gen.pdbx_gene_src_cell_line ?
_entity_src_gen.pdbx_gene_src_atcc ?
_entity_src_gen.pdbx_gene_src_organ ?
_entity_src_gen.pdbx_gene_src_organelle ?
_entity_src_gen.pdbx_gene_src_cell ?
_entity_src_gen.pdbx_gene_src_cellular_location ?
_entity_src_gen.host_org_common_name ?
_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli'
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562
_entity_src_gen.host_org_genus ?
_entity_src_gen.pdbx_host_org_gene ?
_entity_src_gen.pdbx_host_org_organ ?
_entity_src_gen.host_org_species ?
_entity_src_gen.pdbx_host_org_tissue ?
_entity_src_gen.pdbx_host_org_tissue_fraction ?
_entity_src_gen.pdbx_host_org_strain 'Rosetta (DE3)'
_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 'pET-22b(+)'
_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
CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158
GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129
GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067
HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162
HOH non-polymer . WATER ? 'H2 O' 18.015
ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173
LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173
LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195
MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211
MPD non-polymer . '(4S)-2-METHYL-2,4-PENTANEDIOL' ? 'C6 H14 O2' 118.174
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 GLY 1 -1 -1 GLY GLY B . n
A 1 2 SER 2 0 0 SER SER B . n
A 1 3 MET 3 1 1 MET MET B . n
A 1 4 ALA 4 2 2 ALA ALA B . n
A 1 5 PRO 5 3 3 PRO PRO B . n
A 1 6 LEU 6 4 4 LEU LEU B . n
A 1 7 GLY 7 5 5 GLY GLY B . n
A 1 8 GLY 8 6 6 GLY GLY B . n
A 1 9 ALA 9 7 7 ALA ALA B . n
A 1 10 PRO 10 8 8 PRO PRO B . n
A 1 11 ARG 11 9 9 ARG ARG B . n
A 1 12 LEU 12 10 10 LEU LEU B . n
A 1 13 VAL 13 11 11 VAL VAL B . n
A 1 14 LEU 14 12 12 LEU LEU B . n
A 1 15 LEU 15 13 13 LEU LEU B . n
A 1 16 PHE 16 14 14 PHE PHE B . n
A 1 17 SER 17 15 15 SER SER B . n
A 1 18 GLY 18 16 16 GLY GLY B . n
A 1 19 LYS 19 17 17 LYS LYS B . n
A 1 20 ARG 20 18 18 ARG ARG B . n
A 1 21 LYS 21 19 19 LYS LYS B . n
A 1 22 SER 22 20 20 SER SER B . n
A 1 23 GLY 23 21 21 GLY GLY B . n
A 1 24 LYS 24 22 22 LYS LYS B . n
A 1 25 ASP 25 23 23 ASP ASP B . n
A 1 26 PHE 26 24 24 PHE PHE B . n
A 1 27 VAL 27 25 25 VAL VAL B . n
A 1 28 THR 28 26 26 THR THR B . n
A 1 29 GLU 29 27 27 GLU GLU B . n
A 1 30 ALA 30 28 28 ALA ALA B . n
A 1 31 LEU 31 29 29 LEU LEU B . n
A 1 32 GLN 32 30 30 GLN GLN B . n
A 1 33 SER 33 31 31 SER SER B . n
A 1 34 ARG 34 32 32 ARG ARG B . n
A 1 35 LEU 35 33 33 LEU LEU B . n
A 1 36 GLY 36 34 34 GLY GLY B . n
A 1 37 ALA 37 35 35 ALA ALA B . n
A 1 38 ASP 38 36 36 ASP ASP B . n
A 1 39 VAL 39 37 37 VAL VAL B . n
A 1 40 CYS 40 38 38 CYS CYS B . n
A 1 41 ALA 41 39 39 ALA ALA B . n
A 1 42 VAL 42 40 40 VAL VAL B . n
A 1 43 LEU 43 41 41 LEU LEU B . n
A 1 44 ARG 44 42 42 ARG ARG B . n
A 1 45 LEU 45 43 43 LEU LEU B . n
A 1 46 SER 46 44 44 SER SER B . n
A 1 47 GLY 47 45 45 GLY GLY B . n
A 1 48 PRO 48 46 46 PRO PRO B . n
A 1 49 LEU 49 47 47 LEU LEU B . n
A 1 50 LYS 50 48 48 LYS LYS B . n
A 1 51 GLU 51 49 49 GLU GLU B . n
A 1 52 GLN 52 50 50 GLN GLN B . n
A 1 53 TYR 53 51 51 TYR TYR B . n
A 1 54 ALA 54 52 52 ALA ALA B . n
A 1 55 GLN 55 53 53 GLN GLN B . n
A 1 56 GLU 56 54 54 GLU GLU B . n
A 1 57 HIS 57 55 55 HIS HIS B . n
A 1 58 GLY 58 56 56 GLY GLY B . n
A 1 59 LEU 59 57 57 LEU LEU B . n
A 1 60 ASN 60 58 58 ASN ASN B . n
A 1 61 PHE 61 59 59 PHE PHE B . n
A 1 62 GLN 62 60 60 GLN GLN B . n
A 1 63 ARG 63 61 ? ? ? B . n
A 1 64 LEU 64 62 ? ? ? B . n
A 1 65 LEU 65 63 ? ? ? B . n
A 1 66 ASP 66 64 ? ? ? B . n
A 1 67 THR 67 65 ? ? ? B . n
A 1 68 SER 68 66 ? ? ? B . n
A 1 69 THR 69 67 ? ? ? B . n
A 1 70 TYR 70 68 68 TYR TYR B . n
A 1 71 LYS 71 69 69 LYS LYS B . n
A 1 72 GLU 72 70 70 GLU GLU B . n
A 1 73 ALA 73 71 71 ALA ALA B . n
A 1 74 PHE 74 72 72 PHE PHE B . n
A 1 75 ARG 75 73 73 ARG ARG B . n
A 1 76 LYS 76 74 74 LYS LYS B . n
A 1 77 ASP 77 75 75 ASP ASP B . n
A 1 78 MET 78 76 76 MET MET B . n
A 1 79 ILE 79 77 77 ILE ILE B . n
A 1 80 ARG 80 78 78 ARG ARG B . n
A 1 81 TRP 81 79 79 TRP TRP B . n
A 1 82 GLY 82 80 80 GLY GLY B . n
A 1 83 GLU 83 81 81 GLU GLU B . n
A 1 84 GLU 84 82 82 GLU GLU B . n
A 1 85 LYS 85 83 83 LYS LYS B . n
A 1 86 ARG 86 84 84 ARG ARG B . n
A 1 87 GLN 87 85 85 GLN GLN B . n
A 1 88 ALA 88 86 86 ALA ALA B . n
A 1 89 ASP 89 87 87 ASP ASP B . n
A 1 90 PRO 90 88 88 PRO PRO B . n
A 1 91 GLY 91 89 89 GLY GLY B . n
A 1 92 PHE 92 90 90 PHE PHE B . n
A 1 93 PHE 93 91 91 PHE PHE B . n
A 1 94 CYS 94 92 92 CYS CYS B . n
A 1 95 ARG 95 93 93 ARG ARG B . n
A 1 96 LYS 96 94 94 LYS LYS B . n
A 1 97 ILE 97 95 95 ILE ILE B . n
A 1 98 VAL 98 96 96 VAL VAL B . n
A 1 99 GLU 99 97 97 GLU GLU B . n
A 1 100 GLY 100 98 98 GLY GLY B . n
A 1 101 ILE 101 99 99 ILE ILE B . n
A 1 102 SER 102 100 100 SER SER B . n
A 1 103 GLN 103 101 101 GLN GLN B . n
A 1 104 PRO 104 102 102 PRO PRO B . n
A 1 105 ILE 105 103 103 ILE ILE B . n
A 1 106 TRP 106 104 104 TRP TRP B . n
A 1 107 LEU 107 105 105 LEU LEU B . n
A 1 108 VAL 108 106 106 VAL VAL B . n
A 1 109 SER 109 107 107 SER SER B . n
A 1 110 ASP 110 108 108 ASP ASP B . n
A 1 111 THR 111 109 109 THR THR B . n
A 1 112 ARG 112 110 110 ARG ARG B . n
A 1 113 ARG 113 111 111 ARG ARG B . n
A 1 114 VAL 114 112 112 VAL VAL B . n
A 1 115 SER 115 113 113 SER SER B . n
A 1 116 ASP 116 114 114 ASP ASP B . n
A 1 117 ILE 117 115 115 ILE ILE B . n
A 1 118 GLN 118 116 116 GLN GLN B . n
A 1 119 TRP 119 117 117 TRP TRP B . n
A 1 120 PHE 120 118 118 PHE PHE B . n
A 1 121 ARG 121 119 119 ARG ARG B . n
A 1 122 GLU 122 120 120 GLU GLU B . n
A 1 123 ALA 123 121 121 ALA ALA B . n
A 1 124 TYR 124 122 122 TYR TYR B . n
A 1 125 GLY 125 123 123 GLY GLY B . n
A 1 126 ALA 126 124 124 ALA ALA B . n
A 1 127 VAL 127 125 125 VAL VAL B . n
A 1 128 THR 128 126 126 THR THR B . n
A 1 129 GLN 129 127 127 GLN GLN B . n
A 1 130 THR 130 128 128 THR THR B . n
A 1 131 VAL 131 129 129 VAL VAL B . n
A 1 132 ARG 132 130 130 ARG ARG B . n
A 1 133 VAL 133 131 131 VAL VAL B . n
A 1 134 VAL 134 132 132 VAL VAL B . n
A 1 135 ALA 135 133 133 ALA ALA B . n
A 1 136 LEU 136 134 134 LEU LEU B . n
A 1 137 GLU 137 135 135 GLU GLU B . n
A 1 138 GLN 138 136 136 GLN GLN B . n
A 1 139 SER 139 137 137 SER SER B . n
A 1 140 ARG 140 138 138 ARG ARG B . n
A 1 141 GLN 141 139 139 GLN GLN B . n
A 1 142 GLN 142 140 140 GLN GLN B . n
A 1 143 ARG 143 141 141 ARG ARG B . n
A 1 144 GLY 144 142 142 GLY GLY B . n
A 1 145 TRP 145 143 143 TRP TRP B . n
A 1 146 VAL 146 144 144 VAL VAL B . n
A 1 147 PHE 147 145 145 PHE PHE B . n
A 1 148 THR 148 146 146 THR THR B . n
A 1 149 PRO 149 147 147 PRO PRO B . n
A 1 150 GLY 150 148 148 GLY GLY B . n
A 1 151 VAL 151 149 149 VAL VAL B . n
A 1 152 ASP 152 150 150 ASP ASP B . n
A 1 153 ASP 153 151 151 ASP ASP B . n
A 1 154 ALA 154 152 152 ALA ALA B . n
A 1 155 GLU 155 153 153 GLU GLU B . n
A 1 156 SER 156 154 154 SER SER B . n
A 1 157 GLU 157 155 155 GLU GLU B . n
A 1 158 CYS 158 156 156 CYS CYS B . n
A 1 159 GLY 159 157 157 GLY GLY B . n
A 1 160 LEU 160 158 158 LEU LEU B . n
A 1 161 ASP 161 159 159 ASP ASP B . n
A 1 162 ASN 162 160 160 ASN ASN B . n
A 1 163 PHE 163 161 161 PHE PHE B . n
A 1 164 GLY 164 162 162 GLY GLY B . n
A 1 165 ASP 165 163 163 ASP ASP B . n
A 1 166 PHE 166 164 164 PHE PHE B . n
A 1 167 ASP 167 165 165 ASP ASP B . n
A 1 168 TRP 168 166 166 TRP TRP B . n
A 1 169 VAL 169 167 167 VAL VAL B . n
A 1 170 ILE 170 168 168 ILE ILE B . n
A 1 171 GLU 171 169 169 GLU GLU B . n
A 1 172 ASN 172 170 170 ASN ASN B . n
A 1 173 HIS 173 171 171 HIS HIS B . n
A 1 174 GLY 174 172 172 GLY GLY B . n
A 1 175 VAL 175 173 173 VAL VAL B . n
A 1 176 GLU 176 174 174 GLU GLU B . n
A 1 177 GLN 177 175 175 GLN GLN B . n
A 1 178 ARG 178 176 176 ARG ARG B . n
A 1 179 LEU 179 177 177 LEU LEU B . n
A 1 180 GLU 180 178 178 GLU GLU B . n
A 1 181 GLU 181 179 179 GLU GLU B . n
A 1 182 GLN 182 180 180 GLN GLN B . n
A 1 183 LEU 183 181 181 LEU LEU B . n
A 1 184 GLU 184 182 182 GLU GLU B . n
A 1 185 ASN 185 183 183 ASN ASN B . n
A 1 186 LEU 186 184 184 LEU LEU B . n
A 1 187 ILE 187 185 185 ILE ILE B . n
A 1 188 GLU 188 186 186 GLU GLU B . n
A 1 189 PHE 189 187 187 PHE PHE B . n
A 1 190 ILE 190 188 188 ILE ILE B . n
A 1 191 ARG 191 189 189 ARG ARG B . n
A 1 192 SER 192 190 190 SER SER B . n
A 1 193 ARG 193 191 191 ARG ARG B . n
A 1 194 LEU 194 192 192 LEU LEU B . n
A 1 195 LYS 195 193 193 LYS LYS B . n
A 1 196 LEU 196 194 ? ? ? B . n
A 1 197 HIS 197 195 ? ? ? B . n
A 1 198 HIS 198 196 ? ? ? B . n
A 1 199 HIS 199 197 ? ? ? B . n
A 1 200 HIS 200 198 ? ? ? B . n
A 1 201 HIS 201 199 ? ? ? B . n
A 1 202 HIS 202 200 ? ? ? B . 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 1 201 201 SO4 SO4 B .
C 2 SO4 1 202 202 SO4 SO4 B .
D 3 MPD 1 203 203 MPD MPD B .
E 3 MPD 1 204 204 MPD MPD B .
F 4 HOH 1 205 205 HOH HOH B .
F 4 HOH 2 206 206 HOH HOH B .
F 4 HOH 3 207 207 HOH HOH B .
F 4 HOH 4 208 208 HOH HOH B .
F 4 HOH 5 209 209 HOH HOH B .
F 4 HOH 6 210 210 HOH HOH B .
F 4 HOH 7 211 211 HOH HOH B .
F 4 HOH 8 212 212 HOH HOH B .
F 4 HOH 9 213 213 HOH HOH B .
F 4 HOH 10 214 214 HOH HOH B .
F 4 HOH 11 215 215 HOH HOH B .
F 4 HOH 12 216 216 HOH HOH B .
F 4 HOH 13 217 217 HOH HOH B .
F 4 HOH 14 218 218 HOH HOH B .
F 4 HOH 15 219 219 HOH HOH B .
F 4 HOH 16 220 220 HOH HOH B .
F 4 HOH 17 221 221 HOH HOH B .
F 4 HOH 18 222 222 HOH HOH B .
F 4 HOH 19 223 223 HOH HOH B .
F 4 HOH 20 224 224 HOH HOH B .
F 4 HOH 21 225 225 HOH HOH B .
F 4 HOH 22 226 226 HOH HOH B .
F 4 HOH 23 227 227 HOH HOH B .
F 4 HOH 24 228 228 HOH HOH B .
F 4 HOH 25 229 229 HOH HOH B .
F 4 HOH 26 230 230 HOH HOH B .
F 4 HOH 27 231 231 HOH HOH B .
F 4 HOH 28 232 232 HOH HOH B .
F 4 HOH 29 233 233 HOH HOH B .
F 4 HOH 30 234 234 HOH HOH B .
F 4 HOH 31 235 235 HOH HOH B .
F 4 HOH 32 236 236 HOH HOH B .
F 4 HOH 33 237 237 HOH HOH B .
F 4 HOH 34 238 238 HOH HOH B .
F 4 HOH 35 239 239 HOH HOH B .
F 4 HOH 36 240 240 HOH HOH B .
F 4 HOH 37 241 241 HOH HOH B .
F 4 HOH 38 242 242 HOH HOH B .
F 4 HOH 39 243 243 HOH HOH B .
F 4 HOH 40 244 244 HOH HOH B .
F 4 HOH 41 245 245 HOH HOH B .
F 4 HOH 42 246 246 HOH HOH B .
F 4 HOH 43 247 247 HOH HOH B .
F 4 HOH 44 248 248 HOH HOH B .
F 4 HOH 45 249 249 HOH HOH B .
F 4 HOH 46 250 250 HOH HOH B .
F 4 HOH 47 251 251 HOH HOH B .
F 4 HOH 48 252 252 HOH HOH B .
F 4 HOH 49 253 253 HOH HOH B .
F 4 HOH 50 254 254 HOH HOH B .
F 4 HOH 51 255 255 HOH HOH B .
F 4 HOH 52 256 256 HOH HOH B .
F 4 HOH 53 257 257 HOH HOH B .
F 4 HOH 54 258 258 HOH HOH B .
F 4 HOH 55 259 259 HOH HOH B .
F 4 HOH 56 260 260 HOH HOH B .
F 4 HOH 57 261 261 HOH HOH B .
F 4 HOH 58 262 262 HOH HOH B .
F 4 HOH 59 263 263 HOH HOH B .
F 4 HOH 60 264 264 HOH HOH B .
F 4 HOH 61 265 265 HOH HOH B .
F 4 HOH 62 266 266 HOH HOH B .
F 4 HOH 63 267 267 HOH HOH B .
F 4 HOH 64 268 268 HOH HOH B .
F 4 HOH 65 269 269 HOH HOH B .
F 4 HOH 66 270 270 HOH HOH B .
F 4 HOH 67 271 271 HOH HOH B .
F 4 HOH 68 272 272 HOH HOH B .
F 4 HOH 69 273 273 HOH HOH B .
F 4 HOH 70 274 274 HOH HOH B .
F 4 HOH 71 275 275 HOH HOH B .
F 4 HOH 72 276 276 HOH HOH B .
F 4 HOH 73 277 277 HOH HOH B .
F 4 HOH 74 278 278 HOH HOH B .
F 4 HOH 75 279 279 HOH HOH B .
F 4 HOH 76 280 280 HOH HOH B .
F 4 HOH 77 281 281 HOH HOH B .
F 4 HOH 78 282 282 HOH HOH B .
F 4 HOH 79 283 283 HOH HOH B .
F 4 HOH 80 284 284 HOH HOH B .
F 4 HOH 81 285 285 HOH HOH B .
F 4 HOH 82 286 286 HOH HOH B .
F 4 HOH 83 287 287 HOH HOH B .
F 4 HOH 84 288 288 HOH HOH B .
F 4 HOH 85 289 289 HOH HOH B .
F 4 HOH 86 290 290 HOH HOH B .
F 4 HOH 87 291 291 HOH HOH B .
F 4 HOH 88 292 292 HOH HOH B .
F 4 HOH 89 293 293 HOH HOH B .
F 4 HOH 90 294 294 HOH HOH B .
F 4 HOH 91 295 295 HOH HOH B .
F 4 HOH 92 296 296 HOH HOH B .
F 4 HOH 93 297 297 HOH HOH B .
F 4 HOH 94 298 298 HOH HOH B .
F 4 HOH 95 299 299 HOH HOH B .
F 4 HOH 96 300 300 HOH HOH B .
F 4 HOH 97 301 301 HOH HOH B .
F 4 HOH 98 302 302 HOH HOH B .
F 4 HOH 99 303 303 HOH HOH B .
F 4 HOH 100 304 304 HOH HOH B .
F 4 HOH 101 305 305 HOH HOH B .
F 4 HOH 102 306 306 HOH HOH B .
F 4 HOH 103 307 307 HOH HOH B .
F 4 HOH 104 308 308 HOH HOH B .
F 4 HOH 105 309 309 HOH HOH B .
F 4 HOH 106 310 310 HOH HOH B .
F 4 HOH 107 311 311 HOH HOH B .
F 4 HOH 108 312 312 HOH HOH B .
F 4 HOH 109 313 313 HOH HOH B .
F 4 HOH 110 314 314 HOH HOH B .
F 4 HOH 111 315 315 HOH HOH B .
F 4 HOH 112 316 316 HOH HOH B .
F 4 HOH 113 317 317 HOH HOH B .
F 4 HOH 114 318 318 HOH HOH B .
F 4 HOH 115 319 319 HOH HOH B .
F 4 HOH 116 320 320 HOH HOH B .
F 4 HOH 117 321 321 HOH HOH B .
F 4 HOH 118 322 322 HOH HOH B .
F 4 HOH 119 323 323 HOH HOH B .
F 4 HOH 120 324 324 HOH HOH B .
F 4 HOH 121 325 325 HOH HOH B .
F 4 HOH 122 326 326 HOH HOH B .
F 4 HOH 123 327 327 HOH HOH B .
F 4 HOH 124 328 328 HOH HOH B .
F 4 HOH 125 329 329 HOH HOH B .
F 4 HOH 126 330 330 HOH HOH B .
F 4 HOH 127 331 331 HOH HOH B .
F 4 HOH 128 332 332 HOH HOH B .
F 4 HOH 129 333 334 HOH HOH B .
F 4 HOH 130 334 335 HOH HOH B .
F 4 HOH 131 335 336 HOH HOH B .
F 4 HOH 132 336 337 HOH HOH B .
F 4 HOH 133 337 338 HOH HOH B .
F 4 HOH 134 338 339 HOH HOH B .
F 4 HOH 135 339 340 HOH HOH B .
F 4 HOH 136 340 341 HOH HOH B .
F 4 HOH 137 341 342 HOH HOH B .
F 4 HOH 138 342 343 HOH HOH B .
F 4 HOH 139 343 344 HOH HOH B .
F 4 HOH 140 344 345 HOH HOH B .
F 4 HOH 141 345 346 HOH HOH B .
F 4 HOH 142 346 347 HOH HOH B .
F 4 HOH 143 347 348 HOH HOH B .
F 4 HOH 144 348 349 HOH HOH B .
F 4 HOH 145 349 350 HOH HOH B .
F 4 HOH 146 350 351 HOH HOH B .
F 4 HOH 147 351 352 HOH HOH B .
F 4 HOH 148 352 353 HOH HOH B .
#
loop_
_software.name
_software.classification
_software.version
_software.citation_id
_software.pdbx_ordinal
MAR345dtb 'data collection' . ? 1
SHARP phasing . ? 2
CNS refinement . ? 3
DENZO 'data reduction' . ? 4
SCALEPACK 'data scaling' . ? 5
#
_cell.entry_id 3CH4
_cell.length_a 93.140
_cell.length_b 32.625
_cell.length_c 61.786
_cell.angle_alpha 90.00
_cell.angle_beta 111.01
_cell.angle_gamma 90.00
_cell.Z_PDB 4
_cell.pdbx_unique_axis ?
_cell.length_a_esd ?
_cell.length_b_esd ?
_cell.length_c_esd ?
_cell.angle_alpha_esd ?
_cell.angle_beta_esd ?
_cell.angle_gamma_esd ?
#
_symmetry.entry_id 3CH4
_symmetry.space_group_name_H-M 'C 1 2 1'
_symmetry.pdbx_full_space_group_name_H-M ?
_symmetry.cell_setting ?
_symmetry.Int_Tables_number 5
_symmetry.space_group_name_Hall ?
#
_exptl.entry_id 3CH4
_exptl.method 'X-RAY DIFFRACTION'
_exptl.crystals_number 1
#
_exptl_crystal.id 1
_exptl_crystal.density_meas ?
_exptl_crystal.density_Matthews 1.89
_exptl_crystal.density_percent_sol 34.77
_exptl_crystal.description ?
_exptl_crystal.F_000 ?
_exptl_crystal.preparation ?
#
_exptl_crystal_grow.crystal_id 1
_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP'
_exptl_crystal_grow.temp 288
_exptl_crystal_grow.temp_details ?
_exptl_crystal_grow.pH 7.6
_exptl_crystal_grow.pdbx_details
;15-20% (v/v) Pentaerythritol ethoxylate (15/4 EO/OH), 15% (v/v) MPD, 0.1M Hepes, pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 288K
;
_exptl_crystal_grow.pdbx_pH_range .
#
_diffrn.id 1
_diffrn.ambient_temp 100
_diffrn.ambient_temp_details ?
_diffrn.crystal_id 1
#
_diffrn_detector.diffrn_id 1
_diffrn_detector.detector 'IMAGE PLATE'
_diffrn_detector.type 'MAR scanner 345 mm plate'
_diffrn_detector.pdbx_collection_date 2007-11-29
_diffrn_detector.details ?
#
_diffrn_radiation.diffrn_id 1
_diffrn_radiation.wavelength_id 1
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
_diffrn_radiation.monochromator GRAPHITE
_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
_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 RIGAKU
_diffrn_source.pdbx_synchrotron_site ?
_diffrn_source.pdbx_synchrotron_beamline ?
_diffrn_source.pdbx_wavelength ?
_diffrn_source.pdbx_wavelength_list 1.5418
#
_reflns.entry_id 3CH4
_reflns.observed_criterion_sigma_F 4.1
_reflns.observed_criterion_sigma_I 3
_reflns.d_resolution_high 1.76
_reflns.d_resolution_low 8
_reflns.number_all 17293
_reflns.number_obs 16987
_reflns.percent_possible_obs 99.4
_reflns.pdbx_Rmerge_I_obs 0.055
_reflns.pdbx_Rsym_value ?
_reflns.pdbx_netI_over_sigmaI 16.9
_reflns.B_iso_Wilson_estimate 17
_reflns.pdbx_redundancy 9.8
_reflns.R_free_details ?
_reflns.limit_h_max ?
_reflns.limit_h_min ?
_reflns.limit_k_max ?
_reflns.limit_k_min ?
_reflns.limit_l_max ?
_reflns.limit_l_min ?
_reflns.observed_criterion_F_max ?
_reflns.observed_criterion_F_min ?
_reflns.pdbx_chi_squared ?
_reflns.pdbx_scaling_rejects ?
_reflns.pdbx_diffrn_id 1
_reflns.pdbx_ordinal 1
#
_reflns_shell.d_res_high 1.76
_reflns_shell.d_res_low 1.80
_reflns_shell.percent_possible_all 98.2
_reflns_shell.Rmerge_I_obs 0.442
_reflns_shell.pdbx_Rsym_value ?
_reflns_shell.meanI_over_sigI_obs 5.4
_reflns_shell.pdbx_redundancy 9.0
_reflns_shell.percent_possible_obs ?
_reflns_shell.number_unique_all 1598
_reflns_shell.number_measured_all ?
_reflns_shell.number_measured_obs ?
_reflns_shell.number_unique_obs ?
_reflns_shell.pdbx_chi_squared ?
_reflns_shell.pdbx_diffrn_id ?
_reflns_shell.pdbx_ordinal 1
#
_refine.entry_id 3CH4
_refine.ls_d_res_high 1.76
_refine.ls_d_res_low 8
_refine.pdbx_ls_sigma_F 3
_refine.pdbx_ls_sigma_I ?
_refine.ls_number_reflns_all 17293
_refine.ls_number_reflns_obs 16987
_refine.ls_number_reflns_R_free 1698
_refine.ls_percent_reflns_obs ?
_refine.ls_R_factor_all 0.209
_refine.ls_R_factor_obs 0.199
_refine.ls_R_factor_R_work 0.199
_refine.ls_R_factor_R_free 0.221
_refine.ls_redundancy_reflns_obs ?
_refine.pdbx_data_cutoff_high_absF ?
_refine.pdbx_data_cutoff_low_absF ?
_refine.ls_number_parameters ?
_refine.ls_number_restraints ?
_refine.ls_percent_reflns_R_free ?
_refine.ls_R_factor_R_free_error ?
_refine.ls_R_factor_R_free_error_details ?
_refine.pdbx_method_to_determine_struct SAD
_refine.pdbx_starting_model ?
_refine.pdbx_ls_cross_valid_method THROUGHOUT
_refine.pdbx_R_Free_selection_details RANDOM
_refine.pdbx_stereochem_target_val_spec_case ?
_refine.pdbx_stereochemistry_target_values 'Engh & Huber'
_refine.solvent_model_details ?
_refine.solvent_model_param_bsol ?
_refine.solvent_model_param_ksol ?
_refine.occupancy_max ?
_refine.occupancy_min ?
_refine.pdbx_isotropic_thermal_model ?
_refine.B_iso_mean ?
_refine.aniso_B[1][1] ?
_refine.aniso_B[1][2] ?
_refine.aniso_B[1][3] ?
_refine.aniso_B[2][2] ?
_refine.aniso_B[2][3] ?
_refine.aniso_B[3][3] ?
_refine.details ?
_refine.B_iso_min ?
_refine.B_iso_max ?
_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.overall_SU_R_Cruickshank_DPI ?
_refine.overall_SU_R_free ?
_refine.overall_SU_ML ?
_refine.overall_SU_B ?
_refine.pdbx_overall_ESU_R_Free ?
_refine.pdbx_data_cutoff_high_rms_absF ?
_refine.pdbx_overall_ESU_R ?
_refine.ls_wR_factor_R_free ?
_refine.ls_wR_factor_R_work ?
_refine.overall_FOM_free_R_set ?
_refine.overall_FOM_work_R_set ?
_refine.pdbx_overall_phase_error ?
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine.pdbx_diffrn_id 1
_refine.pdbx_TLS_residual_ADP_flag ?
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
_refine.pdbx_overall_SU_R_Blow_DPI ?
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
#
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine_hist.cycle_id LAST
_refine_hist.pdbx_number_atoms_protein 1515
_refine_hist.pdbx_number_atoms_nucleic_acid 0
_refine_hist.pdbx_number_atoms_ligand 10
_refine_hist.number_atoms_solvent 164
_refine_hist.number_atoms_total 1689
_refine_hist.d_res_high 1.76
_refine_hist.d_res_low 8
#
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
c_bond_d 0.005 ? ? ? 'X-RAY DIFFRACTION' ?
c_angle_deg 1.523 ? ? ? 'X-RAY DIFFRACTION' ?
c_dihedral_angle_d 23.178 ? ? ? 'X-RAY DIFFRACTION' ?
c_improper_angle_d 0.851 ? ? ? 'X-RAY DIFFRACTION' ?
#
_refine_ls_shell.pdbx_total_number_of_bins_used ?
_refine_ls_shell.d_res_high 1.76
_refine_ls_shell.d_res_low 1.80
_refine_ls_shell.number_reflns_R_work ?
_refine_ls_shell.R_factor_R_work 0.199
_refine_ls_shell.percent_reflns_obs 98
_refine_ls_shell.R_factor_R_free 0.221
_refine_ls_shell.R_factor_R_free_error 0.01
_refine_ls_shell.percent_reflns_R_free ?
_refine_ls_shell.number_reflns_R_free 1698
_refine_ls_shell.number_reflns_all ?
_refine_ls_shell.R_factor_all ?
_refine_ls_shell.number_reflns_obs 16987
_refine_ls_shell.redundancy_reflns_obs ?
_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION'
#
_database_PDB_matrix.entry_id 3CH4
_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 3CH4
_struct.title 'The Crystal Structure of Human Phosphomavelonate Kinase At 1.8 A Resolution'
_struct.pdbx_model_details ?
_struct.pdbx_CASP_flag ?
_struct.pdbx_model_type_details ?
#
_struct_keywords.entry_id 3CH4
_struct_keywords.pdbx_keywords TRANSFERASE
_struct_keywords.text
;parallel beta-sheet with the strand order 23145, Walker A motif, Cholesterol biosynthesis, Kinase, Lipid synthesis, Peroxisome, Steroid biosynthesis, Sterol biosynthesis, Transferase
;
#
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 2 ?
D N N 3 ?
E N N 3 ?
F N N 4 ?
#
_struct_ref.id 1
_struct_ref.db_name UNP
_struct_ref.db_code PMVK_HUMAN
_struct_ref.pdbx_db_accession Q15126
_struct_ref.entity_id 1
_struct_ref.pdbx_seq_one_letter_code
;MAPLGGAPRLVLLFSGKRKSGKDFVTEALQSRLGADVCAVLRLSGPLKEQYAQEHGLNFQRLLDTSTYKEAFRKDMIRWG
EEKRQADPGFFCRKIVEGISQPIWLVSDTRRVSDIQWFREAYGAVTQTVRVVALEQSRQQRGWVFTPGVDDAESECGLDN
FGDFDWVIENHGVEQRLEEQLENLIEFIRSRL
;
_struct_ref.pdbx_align_begin 1
_struct_ref.pdbx_db_isoform ?
#
_struct_ref_seq.align_id 1
_struct_ref_seq.ref_id 1
_struct_ref_seq.pdbx_PDB_id_code 3CH4
_struct_ref_seq.pdbx_strand_id B
_struct_ref_seq.seq_align_beg 3
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
_struct_ref_seq.seq_align_end 194
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
_struct_ref_seq.pdbx_db_accession Q15126
_struct_ref_seq.db_align_beg 1
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
_struct_ref_seq.db_align_end 192
_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 192
#
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 3CH4 GLY B 1 ? UNP Q15126 ? ? 'expression tag' -1 1
1 3CH4 SER B 2 ? UNP Q15126 ? ? 'expression tag' 0 2
1 3CH4 LYS B 195 ? UNP Q15126 ? ? 'expression tag' 193 3
1 3CH4 LEU B 196 ? UNP Q15126 ? ? 'expression tag' 194 4
1 3CH4 HIS B 197 ? UNP Q15126 ? ? 'expression tag' 195 5
1 3CH4 HIS B 198 ? UNP Q15126 ? ? 'expression tag' 196 6
1 3CH4 HIS B 199 ? UNP Q15126 ? ? 'expression tag' 197 7
1 3CH4 HIS B 200 ? UNP Q15126 ? ? 'expression tag' 198 8
1 3CH4 HIS B 201 ? UNP Q15126 ? ? 'expression tag' 199 9
1 3CH4 HIS B 202 ? UNP Q15126 ? ? 'expression tag' 200 10
#
_pdbx_struct_assembly.id 1
_pdbx_struct_assembly.details author_and_software_defined_assembly
_pdbx_struct_assembly.method_details PISA
_pdbx_struct_assembly.oligomeric_details 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,E,F
#
_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
_struct_biol.details ?
#
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 GLY A 23 ? GLY A 36 ? GLY B 21 GLY B 34 1 ? 14
HELX_P HELX_P2 2 LEU A 45 ? GLU A 56 ? LEU B 43 GLU B 54 1 ? 12
HELX_P HELX_P3 3 ALA A 73 ? ASP A 89 ? ALA B 71 ASP B 87 1 ? 17
HELX_P HELX_P4 4 PHE A 93 ? VAL A 98 ? PHE B 91 VAL B 96 1 ? 6
HELX_P HELX_P5 5 ARG A 113 ? GLY A 125 ? ARG B 111 GLY B 123 1 ? 13
HELX_P HELX_P6 6 LEU A 136 ? ARG A 143 ? LEU B 134 ARG B 141 1 ? 8
HELX_P HELX_P7 7 ALA A 154 ? GLY A 159 ? ALA B 152 GLY B 157 1 ? 6
HELX_P HELX_P8 8 VAL A 175 ? SER A 192 ? VAL B 173 SER B 190 1 ? 18
#
_struct_conf_type.id HELX_P
_struct_conf_type.criteria ?
_struct_conf_type.reference ?
#
_struct_sheet.id A
_struct_sheet.type ?
_struct_sheet.number_strands 5
_struct_sheet.details ?
#
loop_
_struct_sheet_order.sheet_id
_struct_sheet_order.range_id_1
_struct_sheet_order.range_id_2
_struct_sheet_order.offset
_struct_sheet_order.sense
A 1 2 ? parallel
A 2 3 ? parallel
A 3 4 ? parallel
A 4 5 ? parallel
#
loop_
_struct_sheet_range.sheet_id
_struct_sheet_range.id
_struct_sheet_range.beg_label_comp_id
_struct_sheet_range.beg_label_asym_id
_struct_sheet_range.beg_label_seq_id
_struct_sheet_range.pdbx_beg_PDB_ins_code
_struct_sheet_range.end_label_comp_id
_struct_sheet_range.end_label_asym_id
_struct_sheet_range.end_label_seq_id
_struct_sheet_range.pdbx_end_PDB_ins_code
_struct_sheet_range.beg_auth_comp_id
_struct_sheet_range.beg_auth_asym_id
_struct_sheet_range.beg_auth_seq_id
_struct_sheet_range.end_auth_comp_id
_struct_sheet_range.end_auth_asym_id
_struct_sheet_range.end_auth_seq_id
A 1 CYS A 40 ? LEU A 43 ? CYS B 38 LEU B 41
A 2 ILE A 105 ? VAL A 108 ? ILE B 103 VAL B 106
A 3 LEU A 12 ? GLY A 18 ? LEU B 10 GLY B 16
A 4 THR A 128 ? ALA A 135 ? THR B 126 ALA B 133
A 5 TRP A 168 ? ASN A 172 ? TRP B 166 ASN B 170
#
loop_
_pdbx_struct_sheet_hbond.sheet_id
_pdbx_struct_sheet_hbond.range_id_1
_pdbx_struct_sheet_hbond.range_id_2
_pdbx_struct_sheet_hbond.range_1_label_atom_id
_pdbx_struct_sheet_hbond.range_1_label_comp_id
_pdbx_struct_sheet_hbond.range_1_label_asym_id
_pdbx_struct_sheet_hbond.range_1_label_seq_id
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code
_pdbx_struct_sheet_hbond.range_1_auth_atom_id
_pdbx_struct_sheet_hbond.range_1_auth_comp_id
_pdbx_struct_sheet_hbond.range_1_auth_asym_id
_pdbx_struct_sheet_hbond.range_1_auth_seq_id
_pdbx_struct_sheet_hbond.range_2_label_atom_id
_pdbx_struct_sheet_hbond.range_2_label_comp_id
_pdbx_struct_sheet_hbond.range_2_label_asym_id
_pdbx_struct_sheet_hbond.range_2_label_seq_id
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code
_pdbx_struct_sheet_hbond.range_2_auth_atom_id
_pdbx_struct_sheet_hbond.range_2_auth_comp_id
_pdbx_struct_sheet_hbond.range_2_auth_asym_id
_pdbx_struct_sheet_hbond.range_2_auth_seq_id
A 1 2 N ALA A 41 ? N ALA B 39 O LEU A 107 ? O LEU B 105
A 2 3 O TRP A 106 ? O TRP B 104 N LEU A 14 ? N LEU B 12
A 3 4 N LEU A 15 ? N LEU B 13 O GLN A 129 ? O GLN B 127
A 4 5 N VAL A 134 ? N VAL B 132 O ASN A 172 ? O ASN B 170
#
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
AC1 Software B SO4 201 ? 12 'BINDING SITE FOR RESIDUE SO4 B 201'
AC2 Software B SO4 202 ? 9 'BINDING SITE FOR RESIDUE SO4 B 202'
AC3 Software B MPD 203 ? 5 'BINDING SITE FOR RESIDUE MPD B 203'
AC4 Software B MPD 204 ? 6 'BINDING SITE FOR RESIDUE MPD B 204'
#
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 AC1 12 LYS A 21 ? LYS B 19 . ? 1_555 ?
2 AC1 12 SER A 22 ? SER B 20 . ? 1_555 ?
3 AC1 12 GLY A 23 ? GLY B 21 . ? 1_555 ?
4 AC1 12 LYS A 24 ? LYS B 22 . ? 1_555 ?
5 AC1 12 ASP A 25 ? ASP B 23 . ? 1_555 ?
6 AC1 12 PHE A 26 ? PHE B 24 . ? 1_555 ?
7 AC1 12 ARG A 143 ? ARG B 141 . ? 1_555 ?
8 AC1 12 GLU A 171 ? GLU B 169 . ? 4_556 ?
9 AC1 12 HIS A 173 ? HIS B 171 . ? 4_556 ?
10 AC1 12 HOH F . ? HOH B 207 . ? 1_555 ?
11 AC1 12 HOH F . ? HOH B 229 . ? 1_555 ?
12 AC1 12 HOH F . ? HOH B 247 . ? 1_555 ?
13 AC2 9 LYS A 21 ? LYS B 19 . ? 4_546 ?
14 AC2 9 ARG A 143 ? ARG B 141 . ? 4_546 ?
15 AC2 9 HIS A 173 ? HIS B 171 . ? 1_555 ?
16 AC2 9 ARG A 178 ? ARG B 176 . ? 1_555 ?
17 AC2 9 GLN A 182 ? GLN B 180 . ? 1_555 ?
18 AC2 9 HOH F . ? HOH B 253 . ? 1_555 ?
19 AC2 9 HOH F . ? HOH B 285 . ? 1_555 ?
20 AC2 9 HOH F . ? HOH B 326 . ? 4_546 ?
21 AC2 9 HOH F . ? HOH B 330 . ? 4_546 ?
22 AC3 5 ASN A 172 ? ASN B 170 . ? 1_555 ?
23 AC3 5 GLY A 174 ? GLY B 172 . ? 1_555 ?
24 AC3 5 GLU A 176 ? GLU B 174 . ? 1_555 ?
25 AC3 5 HOH F . ? HOH B 236 . ? 1_555 ?
26 AC3 5 HOH F . ? HOH B 252 . ? 1_555 ?
27 AC4 6 GLN A 142 ? GLN B 140 . ? 4_546 ?
28 AC4 6 GLY A 144 ? GLY B 142 . ? 4_546 ?
29 AC4 6 TRP A 168 ? TRP B 166 . ? 1_555 ?
30 AC4 6 ILE A 170 ? ILE B 168 . ? 1_555 ?
31 AC4 6 ASN A 185 ? ASN B 183 . ? 1_555 ?
32 AC4 6 HOH F . ? HOH B 285 . ? 1_555 ?
#
loop_
_pdbx_validate_rmsd_angle.id
_pdbx_validate_rmsd_angle.PDB_model_num
_pdbx_validate_rmsd_angle.auth_atom_id_1
_pdbx_validate_rmsd_angle.auth_asym_id_1
_pdbx_validate_rmsd_angle.auth_comp_id_1
_pdbx_validate_rmsd_angle.auth_seq_id_1
_pdbx_validate_rmsd_angle.PDB_ins_code_1
_pdbx_validate_rmsd_angle.label_alt_id_1
_pdbx_validate_rmsd_angle.auth_atom_id_2
_pdbx_validate_rmsd_angle.auth_asym_id_2
_pdbx_validate_rmsd_angle.auth_comp_id_2
_pdbx_validate_rmsd_angle.auth_seq_id_2
_pdbx_validate_rmsd_angle.PDB_ins_code_2
_pdbx_validate_rmsd_angle.label_alt_id_2
_pdbx_validate_rmsd_angle.auth_atom_id_3
_pdbx_validate_rmsd_angle.auth_asym_id_3
_pdbx_validate_rmsd_angle.auth_comp_id_3
_pdbx_validate_rmsd_angle.auth_seq_id_3
_pdbx_validate_rmsd_angle.PDB_ins_code_3
_pdbx_validate_rmsd_angle.label_alt_id_3
_pdbx_validate_rmsd_angle.angle_value
_pdbx_validate_rmsd_angle.angle_target_value
_pdbx_validate_rmsd_angle.angle_deviation
_pdbx_validate_rmsd_angle.angle_standard_deviation
_pdbx_validate_rmsd_angle.linker_flag
1 1 N B PHE 59 ? ? CA B PHE 59 ? ? C B PHE 59 ? ? 131.81 111.00 20.81 2.70 N
2 1 CB B LYS 69 ? ? CA B LYS 69 ? ? C B LYS 69 ? ? 97.36 110.40 -13.04 2.00 N
3 1 N B ALA 71 ? ? CA B ALA 71 ? ? C B ALA 71 ? ? 93.29 111.00 -17.71 2.70 N
#
loop_
_pdbx_validate_torsion.id
_pdbx_validate_torsion.PDB_model_num
_pdbx_validate_torsion.auth_comp_id
_pdbx_validate_torsion.auth_asym_id
_pdbx_validate_torsion.auth_seq_id
_pdbx_validate_torsion.PDB_ins_code
_pdbx_validate_torsion.label_alt_id
_pdbx_validate_torsion.phi
_pdbx_validate_torsion.psi
1 1 GLU B 54 ? ? -68.83 10.39
2 1 LEU B 57 ? ? -121.02 -155.70
3 1 ASN B 58 ? ? 174.40 114.06
4 1 PHE B 59 ? ? 68.30 -166.29
5 1 LYS B 69 ? ? 87.37 3.90
6 1 GLU B 70 ? ? -157.82 34.42
7 1 VAL B 149 ? ? -129.22 -63.65
8 1 ASP B 163 ? ? -83.04 41.85
#
loop_
_pdbx_unobs_or_zero_occ_residues.id
_pdbx_unobs_or_zero_occ_residues.PDB_model_num
_pdbx_unobs_or_zero_occ_residues.polymer_flag
_pdbx_unobs_or_zero_occ_residues.occupancy_flag
_pdbx_unobs_or_zero_occ_residues.auth_asym_id
_pdbx_unobs_or_zero_occ_residues.auth_comp_id
_pdbx_unobs_or_zero_occ_residues.auth_seq_id
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code
_pdbx_unobs_or_zero_occ_residues.label_asym_id
_pdbx_unobs_or_zero_occ_residues.label_comp_id
_pdbx_unobs_or_zero_occ_residues.label_seq_id
1 1 Y 1 B ARG 61 ? A ARG 63
2 1 Y 1 B LEU 62 ? A LEU 64
3 1 Y 1 B LEU 63 ? A LEU 65
4 1 Y 1 B ASP 64 ? A ASP 66
5 1 Y 1 B THR 65 ? A THR 67
6 1 Y 1 B SER 66 ? A SER 68
7 1 Y 1 B THR 67 ? A THR 69
8 1 Y 1 B LEU 194 ? A LEU 196
9 1 Y 1 B HIS 195 ? A HIS 197
10 1 Y 1 B HIS 196 ? A HIS 198
11 1 Y 1 B HIS 197 ? A HIS 199
12 1 Y 1 B HIS 198 ? A HIS 200
13 1 Y 1 B HIS 199 ? A HIS 201
14 1 Y 1 B HIS 200 ? A HIS 202
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.pdbx_aromatic_flag
_chem_comp_atom.pdbx_stereo_config
_chem_comp_atom.pdbx_ordinal
ALA N N N N 1
ALA CA C N S 2
ALA C C N N 3
ALA O O N N 4
ALA CB C N N 5
ALA OXT O N N 6
ALA H H N N 7
ALA H2 H N N 8
ALA HA H N N 9
ALA HB1 H N N 10
ALA HB2 H N N 11
ALA HB3 H N N 12
ALA HXT H N N 13
ARG N N N N 14
ARG CA C N S 15
ARG C C N N 16
ARG O O N N 17
ARG CB C N N 18
ARG CG C N N 19
ARG CD C N N 20
ARG NE N N N 21
ARG CZ C N N 22
ARG NH1 N N N 23
ARG NH2 N N N 24
ARG OXT O N N 25
ARG H H N N 26
ARG H2 H N N 27
ARG HA H N N 28
ARG HB2 H N N 29
ARG HB3 H N N 30
ARG HG2 H N N 31
ARG HG3 H N N 32
ARG HD2 H N N 33
ARG HD3 H N N 34
ARG HE H N N 35
ARG HH11 H N N 36
ARG HH12 H N N 37
ARG HH21 H N N 38
ARG HH22 H N N 39
ARG HXT H N N 40
ASN N N N N 41
ASN CA C N S 42
ASN C C N N 43
ASN O O N N 44
ASN CB C N N 45
ASN CG C N N 46
ASN OD1 O N N 47
ASN ND2 N N N 48
ASN OXT O N N 49
ASN H H N N 50
ASN H2 H N N 51
ASN HA H N N 52
ASN HB2 H N N 53
ASN HB3 H N N 54
ASN HD21 H N N 55
ASN HD22 H N N 56
ASN HXT H N N 57
ASP N N N N 58
ASP CA C N S 59
ASP C C N N 60
ASP O O N N 61
ASP CB C N N 62
ASP CG C N N 63
ASP OD1 O N N 64
ASP OD2 O N N 65
ASP OXT O N N 66
ASP H H N N 67
ASP H2 H N N 68
ASP HA H N N 69
ASP HB2 H N N 70
ASP HB3 H N N 71
ASP HD2 H N N 72
ASP HXT H N N 73
CYS N N N N 74
CYS CA C N R 75
CYS C C N N 76
CYS O O N N 77
CYS CB C N N 78
CYS SG S N N 79
CYS OXT O N N 80
CYS H H N N 81
CYS H2 H N N 82
CYS HA H N N 83
CYS HB2 H N N 84
CYS HB3 H N N 85
CYS HG H N N 86
CYS HXT H N N 87
GLN N N N N 88
GLN CA C N S 89
GLN C C N N 90
GLN O O N N 91
GLN CB C N N 92
GLN CG C N N 93
GLN CD C N N 94
GLN OE1 O N N 95
GLN NE2 N N N 96
GLN OXT O N N 97
GLN H H N N 98
GLN H2 H N N 99
GLN HA H N N 100
GLN HB2 H N N 101
GLN HB3 H N N 102
GLN HG2 H N N 103
GLN HG3 H N N 104
GLN HE21 H N N 105
GLN HE22 H N N 106
GLN HXT H N N 107
GLU N N N N 108
GLU CA C N S 109
GLU C C N N 110
GLU O O N N 111
GLU CB C N N 112
GLU CG C N N 113
GLU CD C N N 114
GLU OE1 O N N 115
GLU OE2 O N N 116
GLU OXT O N N 117
GLU H H N N 118
GLU H2 H N N 119
GLU HA H N N 120
GLU HB2 H N N 121
GLU HB3 H N N 122
GLU HG2 H N N 123
GLU HG3 H N N 124
GLU HE2 H N N 125
GLU HXT H N N 126
GLY N N N N 127
GLY CA C N N 128
GLY C C N N 129
GLY O O N N 130
GLY OXT O N N 131
GLY H H N N 132
GLY H2 H N N 133
GLY HA2 H N N 134
GLY HA3 H N N 135
GLY HXT H N N 136
HIS N N N N 137
HIS CA C N S 138
HIS C C N N 139
HIS O O N N 140
HIS CB C N N 141
HIS CG C Y N 142
HIS ND1 N Y N 143
HIS CD2 C Y N 144
HIS CE1 C Y N 145
HIS NE2 N Y N 146
HIS OXT O N N 147
HIS H H N N 148
HIS H2 H N N 149
HIS HA H N N 150
HIS HB2 H N N 151
HIS HB3 H N N 152
HIS HD1 H N N 153
HIS HD2 H N N 154
HIS HE1 H N N 155
HIS HE2 H N N 156
HIS HXT H N N 157
HOH O O N N 158
HOH H1 H N N 159
HOH H2 H N N 160
ILE N N N N 161
ILE CA C N S 162
ILE C C N N 163
ILE O O N N 164
ILE CB C N S 165
ILE CG1 C N N 166
ILE CG2 C N N 167
ILE CD1 C N N 168
ILE OXT O N N 169
ILE H H N N 170
ILE H2 H N N 171
ILE HA H N N 172
ILE HB H N N 173
ILE HG12 H N N 174
ILE HG13 H N N 175
ILE HG21 H N N 176
ILE HG22 H N N 177
ILE HG23 H N N 178
ILE HD11 H N N 179
ILE HD12 H N N 180
ILE HD13 H N N 181
ILE HXT H N N 182
LEU N N N N 183
LEU CA C N S 184
LEU C C N N 185
LEU O O N N 186
LEU CB C N N 187
LEU CG C N N 188
LEU CD1 C N N 189
LEU CD2 C N N 190
LEU OXT O N N 191
LEU H H N N 192
LEU H2 H N N 193
LEU HA H N N 194
LEU HB2 H N N 195
LEU HB3 H N N 196
LEU HG H N N 197
LEU HD11 H N N 198
LEU HD12 H N N 199
LEU HD13 H N N 200
LEU HD21 H N N 201
LEU HD22 H N N 202
LEU HD23 H N N 203
LEU HXT H N N 204
LYS N N N N 205
LYS CA C N S 206
LYS C C N N 207
LYS O O N N 208
LYS CB C N N 209
LYS CG C N N 210
LYS CD C N N 211
LYS CE C N N 212
LYS NZ N N N 213
LYS OXT O N N 214
LYS H H N N 215
LYS H2 H N N 216
LYS HA H N N 217
LYS HB2 H N N 218
LYS HB3 H N N 219
LYS HG2 H N N 220
LYS HG3 H N N 221
LYS HD2 H N N 222
LYS HD3 H N N 223
LYS HE2 H N N 224
LYS HE3 H N N 225
LYS HZ1 H N N 226
LYS HZ2 H N N 227
LYS HZ3 H N N 228
LYS HXT H N N 229
MET N N N N 230
MET CA C N S 231
MET C C N N 232
MET O O N N 233
MET CB C N N 234
MET CG C N N 235
MET SD S N N 236
MET CE C N N 237
MET OXT O N N 238
MET H H N N 239
MET H2 H N N 240
MET HA H N N 241
MET HB2 H N N 242
MET HB3 H N N 243
MET HG2 H N N 244
MET HG3 H N N 245
MET HE1 H N N 246
MET HE2 H N N 247
MET HE3 H N N 248
MET HXT H N N 249
MPD C1 C N N 250
MPD C2 C N N 251
MPD O2 O N N 252
MPD CM C N N 253
MPD C3 C N N 254
MPD C4 C N S 255
MPD O4 O N N 256
MPD C5 C N N 257
MPD H11 H N N 258
MPD H12 H N N 259
MPD H13 H N N 260
MPD HO2 H N N 261
MPD HM1 H N N 262
MPD HM2 H N N 263
MPD HM3 H N N 264
MPD H31 H N N 265
MPD H32 H N N 266
MPD H4 H N N 267
MPD HO4 H N N 268
MPD H51 H N N 269
MPD H52 H N N 270
MPD H53 H N N 271
PHE N N N N 272
PHE CA C N S 273
PHE C C N N 274
PHE O O N N 275
PHE CB C N N 276
PHE CG C Y N 277
PHE CD1 C Y N 278
PHE CD2 C Y N 279
PHE CE1 C Y N 280
PHE CE2 C Y N 281
PHE CZ C Y N 282
PHE OXT O N N 283
PHE H H N N 284
PHE H2 H N N 285
PHE HA H N N 286
PHE HB2 H N N 287
PHE HB3 H N N 288
PHE HD1 H N N 289
PHE HD2 H N N 290
PHE HE1 H N N 291
PHE HE2 H N N 292
PHE HZ H N N 293
PHE HXT H N N 294
PRO N N N N 295
PRO CA C N S 296
PRO C C N N 297
PRO O O N N 298
PRO CB C N N 299
PRO CG C N N 300
PRO CD C N N 301
PRO OXT O N N 302
PRO H H N N 303
PRO HA H N N 304
PRO HB2 H N N 305
PRO HB3 H N N 306
PRO HG2 H N N 307
PRO HG3 H N N 308
PRO HD2 H N N 309
PRO HD3 H N N 310
PRO HXT H N N 311
SER N N N N 312
SER CA C N S 313
SER C C N N 314
SER O O N N 315
SER CB C N N 316
SER OG O N N 317
SER OXT O N N 318
SER H H N N 319
SER H2 H N N 320
SER HA H N N 321
SER HB2 H N N 322
SER HB3 H N N 323
SER HG H N N 324
SER HXT H N N 325
SO4 S S N N 326
SO4 O1 O N N 327
SO4 O2 O N N 328
SO4 O3 O N N 329
SO4 O4 O N N 330
THR N N N N 331
THR CA C N S 332
THR C C N N 333
THR O O N N 334
THR CB C N R 335
THR OG1 O N N 336
THR CG2 C N N 337
THR OXT O N N 338
THR H H N N 339
THR H2 H N N 340
THR HA H N N 341
THR HB H N N 342
THR HG1 H N N 343
THR HG21 H N N 344
THR HG22 H N N 345
THR HG23 H N N 346
THR HXT H N N 347
TRP N N N N 348
TRP CA C N S 349
TRP C C N N 350
TRP O O N N 351
TRP CB C N N 352
TRP CG C Y N 353
TRP CD1 C Y N 354
TRP CD2 C Y N 355
TRP NE1 N Y N 356
TRP CE2 C Y N 357
TRP CE3 C Y N 358
TRP CZ2 C Y N 359
TRP CZ3 C Y N 360
TRP CH2 C Y N 361
TRP OXT O N N 362
TRP H H N N 363
TRP H2 H N N 364
TRP HA H N N 365
TRP HB2 H N N 366
TRP HB3 H N N 367
TRP HD1 H N N 368
TRP HE1 H N N 369
TRP HE3 H N N 370
TRP HZ2 H N N 371
TRP HZ3 H N N 372
TRP HH2 H N N 373
TRP HXT H N N 374
TYR N N N N 375
TYR CA C N S 376
TYR C C N N 377
TYR O O N N 378
TYR CB C N N 379
TYR CG C Y N 380
TYR CD1 C Y N 381
TYR CD2 C Y N 382
TYR CE1 C Y N 383
TYR CE2 C Y N 384
TYR CZ C Y N 385
TYR OH O N N 386
TYR OXT O N N 387
TYR H H N N 388
TYR H2 H N N 389
TYR HA H N N 390
TYR HB2 H N N 391
TYR HB3 H N N 392
TYR HD1 H N N 393
TYR HD2 H N N 394
TYR HE1 H N N 395
TYR HE2 H N N 396
TYR HH H N N 397
TYR HXT H N N 398
VAL N N N N 399
VAL CA C N S 400
VAL C C N N 401
VAL O O N N 402
VAL CB C N N 403
VAL CG1 C N N 404
VAL CG2 C N N 405
VAL OXT O N N 406
VAL H H N N 407
VAL H2 H N N 408
VAL HA H N N 409
VAL HB H N N 410
VAL HG11 H N N 411
VAL HG12 H N N 412
VAL HG13 H N N 413
VAL HG21 H N N 414
VAL HG22 H N N 415
VAL HG23 H N N 416
VAL HXT H N N 417
#
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
_chem_comp_bond.pdbx_aromatic_flag
_chem_comp_bond.pdbx_stereo_config
_chem_comp_bond.pdbx_ordinal
ALA N CA sing N N 1
ALA N H sing N N 2
ALA N H2 sing N N 3
ALA CA C sing N N 4
ALA CA CB sing N N 5
ALA CA HA sing N N 6
ALA C O doub N N 7
ALA C OXT sing N N 8
ALA CB HB1 sing N N 9
ALA CB HB2 sing N N 10
ALA CB HB3 sing N N 11
ALA OXT HXT sing N N 12
ARG N CA sing N N 13
ARG N H sing N N 14
ARG N H2 sing N N 15
ARG CA C sing N N 16
ARG CA CB sing N N 17
ARG CA HA sing N N 18
ARG C O doub N N 19
ARG C OXT sing N N 20
ARG CB CG sing N N 21
ARG CB HB2 sing N N 22
ARG CB HB3 sing N N 23
ARG CG CD sing N N 24
ARG CG HG2 sing N N 25
ARG CG HG3 sing N N 26
ARG CD NE sing N N 27
ARG CD HD2 sing N N 28
ARG CD HD3 sing N N 29
ARG NE CZ sing N N 30
ARG NE HE sing N N 31
ARG CZ NH1 sing N N 32
ARG CZ NH2 doub N N 33
ARG NH1 HH11 sing N N 34
ARG NH1 HH12 sing N N 35
ARG NH2 HH21 sing N N 36
ARG NH2 HH22 sing N N 37
ARG OXT HXT sing N N 38
ASN N CA sing N N 39
ASN N H sing N N 40
ASN N H2 sing N N 41
ASN CA C sing N N 42
ASN CA CB sing N N 43
ASN CA HA sing N N 44
ASN C O doub N N 45
ASN C OXT sing N N 46
ASN CB CG sing N N 47
ASN CB HB2 sing N N 48
ASN CB HB3 sing N N 49
ASN CG OD1 doub N N 50
ASN CG ND2 sing N N 51
ASN ND2 HD21 sing N N 52
ASN ND2 HD22 sing N N 53
ASN OXT HXT sing N N 54
ASP N CA sing N N 55
ASP N H sing N N 56
ASP N H2 sing N N 57
ASP CA C sing N N 58
ASP CA CB sing N N 59
ASP CA HA sing N N 60
ASP C O doub N N 61
ASP C OXT sing N N 62
ASP CB CG sing N N 63
ASP CB HB2 sing N N 64
ASP CB HB3 sing N N 65
ASP CG OD1 doub N N 66
ASP CG OD2 sing N N 67
ASP OD2 HD2 sing N N 68
ASP OXT HXT sing N N 69
CYS N CA sing N N 70
CYS N H sing N N 71
CYS N H2 sing N N 72
CYS CA C sing N N 73
CYS CA CB sing N N 74
CYS CA HA sing N N 75
CYS C O doub N N 76
CYS C OXT sing N N 77
CYS CB SG sing N N 78
CYS CB HB2 sing N N 79
CYS CB HB3 sing N N 80
CYS SG HG sing N N 81
CYS OXT HXT sing N N 82
GLN N CA sing N N 83
GLN N H sing N N 84
GLN N H2 sing N N 85
GLN CA C sing N N 86
GLN CA CB sing N N 87
GLN CA HA sing N N 88
GLN C O doub N N 89
GLN C OXT sing N N 90
GLN CB CG sing N N 91
GLN CB HB2 sing N N 92
GLN CB HB3 sing N N 93
GLN CG CD sing N N 94
GLN CG HG2 sing N N 95
GLN CG HG3 sing N N 96
GLN CD OE1 doub N N 97
GLN CD NE2 sing N N 98
GLN NE2 HE21 sing N N 99
GLN NE2 HE22 sing N N 100
GLN OXT HXT sing N N 101
GLU N CA sing N N 102
GLU N H sing N N 103
GLU N H2 sing N N 104
GLU CA C sing N N 105
GLU CA CB sing N N 106
GLU CA HA sing N N 107
GLU C O doub N N 108
GLU C OXT sing N N 109
GLU CB CG sing N N 110
GLU CB HB2 sing N N 111
GLU CB HB3 sing N N 112
GLU CG CD sing N N 113
GLU CG HG2 sing N N 114
GLU CG HG3 sing N N 115
GLU CD OE1 doub N N 116
GLU CD OE2 sing N N 117
GLU OE2 HE2 sing N N 118
GLU OXT HXT sing N N 119
GLY N CA sing N N 120
GLY N H sing N N 121
GLY N H2 sing N N 122
GLY CA C sing N N 123
GLY CA HA2 sing N N 124
GLY CA HA3 sing N N 125
GLY C O doub N N 126
GLY C OXT sing N N 127
GLY OXT HXT sing N N 128
HIS N CA sing N N 129
HIS N H sing N N 130
HIS N H2 sing N N 131
HIS CA C sing N N 132
HIS CA CB sing N N 133
HIS CA HA sing N N 134
HIS C O doub N N 135
HIS C OXT sing N N 136
HIS CB CG sing N N 137
HIS CB HB2 sing N N 138
HIS CB HB3 sing N N 139
HIS CG ND1 sing Y N 140
HIS CG CD2 doub Y N 141
HIS ND1 CE1 doub Y N 142
HIS ND1 HD1 sing N N 143
HIS CD2 NE2 sing Y N 144
HIS CD2 HD2 sing N N 145
HIS CE1 NE2 sing Y N 146
HIS CE1 HE1 sing N N 147
HIS NE2 HE2 sing N N 148
HIS OXT HXT sing N N 149
HOH O H1 sing N N 150
HOH O H2 sing N N 151
ILE N CA sing N N 152
ILE N H sing N N 153
ILE N H2 sing N N 154
ILE CA C sing N N 155
ILE CA CB sing N N 156
ILE CA HA sing N N 157
ILE C O doub N N 158
ILE C OXT sing N N 159
ILE CB CG1 sing N N 160
ILE CB CG2 sing N N 161
ILE CB HB sing N N 162
ILE CG1 CD1 sing N N 163
ILE CG1 HG12 sing N N 164
ILE CG1 HG13 sing N N 165
ILE CG2 HG21 sing N N 166
ILE CG2 HG22 sing N N 167
ILE CG2 HG23 sing N N 168
ILE CD1 HD11 sing N N 169
ILE CD1 HD12 sing N N 170
ILE CD1 HD13 sing N N 171
ILE OXT HXT sing N N 172
LEU N CA sing N N 173
LEU N H sing N N 174
LEU N H2 sing N N 175
LEU CA C sing N N 176
LEU CA CB sing N N 177
LEU CA HA sing N N 178
LEU C O doub N N 179
LEU C OXT sing N N 180
LEU CB CG sing N N 181
LEU CB HB2 sing N N 182
LEU CB HB3 sing N N 183
LEU CG CD1 sing N N 184
LEU CG CD2 sing N N 185
LEU CG HG sing N N 186
LEU CD1 HD11 sing N N 187
LEU CD1 HD12 sing N N 188
LEU CD1 HD13 sing N N 189
LEU CD2 HD21 sing N N 190
LEU CD2 HD22 sing N N 191
LEU CD2 HD23 sing N N 192
LEU OXT HXT sing N N 193
LYS N CA sing N N 194
LYS N H sing N N 195
LYS N H2 sing N N 196
LYS CA C sing N N 197
LYS CA CB sing N N 198
LYS CA HA sing N N 199
LYS C O doub N N 200
LYS C OXT sing N N 201
LYS CB CG sing N N 202
LYS CB HB2 sing N N 203
LYS CB HB3 sing N N 204
LYS CG CD sing N N 205
LYS CG HG2 sing N N 206
LYS CG HG3 sing N N 207
LYS CD CE sing N N 208
LYS CD HD2 sing N N 209
LYS CD HD3 sing N N 210
LYS CE NZ sing N N 211
LYS CE HE2 sing N N 212
LYS CE HE3 sing N N 213
LYS NZ HZ1 sing N N 214
LYS NZ HZ2 sing N N 215
LYS NZ HZ3 sing N N 216
LYS OXT HXT sing N N 217
MET N CA sing N N 218
MET N H sing N N 219
MET N H2 sing N N 220
MET CA C sing N N 221
MET CA CB sing N N 222
MET CA HA sing N N 223
MET C O doub N N 224
MET C OXT sing N N 225
MET CB CG sing N N 226
MET CB HB2 sing N N 227
MET CB HB3 sing N N 228
MET CG SD sing N N 229
MET CG HG2 sing N N 230
MET CG HG3 sing N N 231
MET SD CE sing N N 232
MET CE HE1 sing N N 233
MET CE HE2 sing N N 234
MET CE HE3 sing N N 235
MET OXT HXT sing N N 236
MPD C1 C2 sing N N 237
MPD C1 H11 sing N N 238
MPD C1 H12 sing N N 239
MPD C1 H13 sing N N 240
MPD C2 O2 sing N N 241
MPD C2 CM sing N N 242
MPD C2 C3 sing N N 243
MPD O2 HO2 sing N N 244
MPD CM HM1 sing N N 245
MPD CM HM2 sing N N 246
MPD CM HM3 sing N N 247
MPD C3 C4 sing N N 248
MPD C3 H31 sing N N 249
MPD C3 H32 sing N N 250
MPD C4 O4 sing N N 251
MPD C4 C5 sing N N 252
MPD C4 H4 sing N N 253
MPD O4 HO4 sing N N 254
MPD C5 H51 sing N N 255
MPD C5 H52 sing N N 256
MPD C5 H53 sing N N 257
PHE N CA sing N N 258
PHE N H sing N N 259
PHE N H2 sing N N 260
PHE CA C sing N N 261
PHE CA CB sing N N 262
PHE CA HA sing N N 263
PHE C O doub N N 264
PHE C OXT sing N N 265
PHE CB CG sing N N 266
PHE CB HB2 sing N N 267
PHE CB HB3 sing N N 268
PHE CG CD1 doub Y N 269
PHE CG CD2 sing Y N 270
PHE CD1 CE1 sing Y N 271
PHE CD1 HD1 sing N N 272
PHE CD2 CE2 doub Y N 273
PHE CD2 HD2 sing N N 274
PHE CE1 CZ doub Y N 275
PHE CE1 HE1 sing N N 276
PHE CE2 CZ sing Y N 277
PHE CE2 HE2 sing N N 278
PHE CZ HZ sing N N 279
PHE OXT HXT sing N N 280
PRO N CA sing N N 281
PRO N CD sing N N 282
PRO N H sing N N 283
PRO CA C sing N N 284
PRO CA CB sing N N 285
PRO CA HA sing N N 286
PRO C O doub N N 287
PRO C OXT sing N N 288
PRO CB CG sing N N 289
PRO CB HB2 sing N N 290
PRO CB HB3 sing N N 291
PRO CG CD sing N N 292
PRO CG HG2 sing N N 293
PRO CG HG3 sing N N 294
PRO CD HD2 sing N N 295
PRO CD HD3 sing N N 296
PRO OXT HXT sing N N 297
SER N CA sing N N 298
SER N H sing N N 299
SER N H2 sing N N 300
SER CA C sing N N 301
SER CA CB sing N N 302
SER CA HA sing N N 303
SER C O doub N N 304
SER C OXT sing N N 305
SER CB OG sing N N 306
SER CB HB2 sing N N 307
SER CB HB3 sing N N 308
SER OG HG sing N N 309
SER OXT HXT sing N N 310
SO4 S O1 doub N N 311
SO4 S O2 doub N N 312
SO4 S O3 sing N N 313
SO4 S O4 sing N N 314
THR N CA sing N N 315
THR N H sing N N 316
THR N H2 sing N N 317
THR CA C sing N N 318
THR CA CB sing N N 319
THR CA HA sing N N 320
THR C O doub N N 321
THR C OXT sing N N 322
THR CB OG1 sing N N 323
THR CB CG2 sing N N 324
THR CB HB sing N N 325
THR OG1 HG1 sing N N 326
THR CG2 HG21 sing N N 327
THR CG2 HG22 sing N N 328
THR CG2 HG23 sing N N 329
THR OXT HXT sing N N 330
TRP N CA sing N N 331
TRP N H sing N N 332
TRP N H2 sing N N 333
TRP CA C sing N N 334
TRP CA CB sing N N 335
TRP CA HA sing N N 336
TRP C O doub N N 337
TRP C OXT sing N N 338
TRP CB CG sing N N 339
TRP CB HB2 sing N N 340
TRP CB HB3 sing N N 341
TRP CG CD1 doub Y N 342
TRP CG CD2 sing Y N 343
TRP CD1 NE1 sing Y N 344
TRP CD1 HD1 sing N N 345
TRP CD2 CE2 doub Y N 346
TRP CD2 CE3 sing Y N 347
TRP NE1 CE2 sing Y N 348
TRP NE1 HE1 sing N N 349
TRP CE2 CZ2 sing Y N 350
TRP CE3 CZ3 doub Y N 351
TRP CE3 HE3 sing N N 352
TRP CZ2 CH2 doub Y N 353
TRP CZ2 HZ2 sing N N 354
TRP CZ3 CH2 sing Y N 355
TRP CZ3 HZ3 sing N N 356
TRP CH2 HH2 sing N N 357
TRP OXT HXT sing N N 358
TYR N CA sing N N 359
TYR N H sing N N 360
TYR N H2 sing N N 361
TYR CA C sing N N 362
TYR CA CB sing N N 363
TYR CA HA sing N N 364
TYR C O doub N N 365
TYR C OXT sing N N 366
TYR CB CG sing N N 367
TYR CB HB2 sing N N 368
TYR CB HB3 sing N N 369
TYR CG CD1 doub Y N 370
TYR CG CD2 sing Y N 371
TYR CD1 CE1 sing Y N 372
TYR CD1 HD1 sing N N 373
TYR CD2 CE2 doub Y N 374
TYR CD2 HD2 sing N N 375
TYR CE1 CZ doub Y N 376
TYR CE1 HE1 sing N N 377
TYR CE2 CZ sing Y N 378
TYR CE2 HE2 sing N N 379
TYR CZ OH sing N N 380
TYR OH HH sing N N 381
TYR OXT HXT sing N N 382
VAL N CA sing N N 383
VAL N H sing N N 384
VAL N H2 sing N N 385
VAL CA C sing N N 386
VAL CA CB sing N N 387
VAL CA HA sing N N 388
VAL C O doub N N 389
VAL C OXT sing N N 390
VAL CB CG1 sing N N 391
VAL CB CG2 sing N N 392
VAL CB HB sing N N 393
VAL CG1 HG11 sing N N 394
VAL CG1 HG12 sing N N 395
VAL CG1 HG13 sing N N 396
VAL CG2 HG21 sing N N 397
VAL CG2 HG22 sing N N 398
VAL CG2 HG23 sing N N 399
VAL OXT HXT sing N N 400
#
_atom_sites.entry_id 3CH4
_atom_sites.fract_transf_matrix[1][1] 0.010737
_atom_sites.fract_transf_matrix[1][2] 0.000000
_atom_sites.fract_transf_matrix[1][3] 0.004124
_atom_sites.fract_transf_matrix[2][1] 0.000000
_atom_sites.fract_transf_matrix[2][2] 0.030651
_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] 0.017338
_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
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 . GLY A 1 1 ? 24.374 -3.301 -5.309 1.00 35.17 ? -1 GLY B N 1
ATOM 2 C CA . GLY A 1 1 ? 25.743 -3.566 -5.869 1.00 35.65 ? -1 GLY B CA 1
ATOM 3 C C . GLY A 1 1 ? 26.726 -2.846 -4.980 1.00 33.54 ? -1 GLY B C 1
ATOM 4 O O . GLY A 1 1 ? 27.235 -3.417 -4.017 1.00 34.71 ? -1 GLY B O 1
ATOM 5 N N . SER A 1 2 ? 27.017 -1.597 -5.323 1.00 32.35 ? 0 SER B N 1
ATOM 6 C CA . SER A 1 2 ? 27.873 -0.767 -4.485 1.00 29.35 ? 0 SER B CA 1
ATOM 7 C C . SER A 1 2 ? 26.766 -0.170 -3.628 1.00 25.34 ? 0 SER B C 1
ATOM 8 O O . SER A 1 2 ? 26.080 0.759 -4.044 1.00 23.02 ? 0 SER B O 1
ATOM 9 C CB . SER A 1 2 ? 28.557 0.323 -5.302 1.00 30.14 ? 0 SER B CB 1
ATOM 10 O OG . SER A 1 2 ? 29.227 1.226 -4.438 1.00 34.80 ? 0 SER B OG 1
ATOM 11 N N . MET A 1 3 ? 26.583 -0.734 -2.442 1.00 23.06 ? 1 MET B N 1
ATOM 12 C CA . MET A 1 3 ? 25.501 -0.338 -1.545 1.00 19.11 ? 1 MET B CA 1
ATOM 13 C C . MET A 1 3 ? 25.396 1.094 -1.045 1.00 18.39 ? 1 MET B C 1
ATOM 14 O O . MET A 1 3 ? 24.298 1.648 -1.014 1.00 15.71 ? 1 MET B O 1
ATOM 15 C CB . MET A 1 3 ? 25.476 -1.299 -0.360 1.00 18.30 ? 1 MET B CB 1
ATOM 16 C CG . MET A 1 3 ? 25.303 -2.740 -0.801 1.00 19.30 ? 1 MET B CG 1
ATOM 17 S SD . MET A 1 3 ? 25.209 -3.906 0.555 1.00 18.11 ? 1 MET B SD 1
ATOM 18 C CE . MET A 1 3 ? 23.609 -3.446 1.280 1.00 19.06 ? 1 MET B CE 1
ATOM 19 N N . ALA A 1 4 ? 26.515 1.690 -0.642 1.00 16.59 ? 2 ALA B N 1
ATOM 20 C CA . ALA A 1 4 ? 26.496 3.059 -0.136 1.00 17.18 ? 2 ALA B CA 1
ATOM 21 C C . ALA A 1 4 ? 27.704 3.832 -0.649 1.00 18.20 ? 2 ALA B C 1
ATOM 22 O O . ALA A 1 4 ? 28.670 4.042 0.079 1.00 17.87 ? 2 ALA B O 1
ATOM 23 C CB . ALA A 1 4 ? 26.497 3.046 1.384 1.00 18.47 ? 2 ALA B CB 1
ATOM 24 N N . PRO A 1 5 ? 27.654 4.288 -1.910 1.00 20.21 ? 3 PRO B N 1
ATOM 25 C CA . PRO A 1 5 ? 28.763 5.039 -2.514 1.00 21.56 ? 3 PRO B CA 1
ATOM 26 C C . PRO A 1 5 ? 29.210 6.322 -1.807 1.00 21.33 ? 3 PRO B C 1
ATOM 27 O O . PRO A 1 5 ? 30.389 6.665 -1.841 1.00 22.21 ? 3 PRO B O 1
ATOM 28 C CB . PRO A 1 5 ? 28.263 5.303 -3.934 1.00 21.58 ? 3 PRO B CB 1
ATOM 29 C CG . PRO A 1 5 ? 26.779 5.370 -3.764 1.00 21.96 ? 3 PRO B CG 1
ATOM 30 C CD . PRO A 1 5 ? 26.515 4.205 -2.841 1.00 20.78 ? 3 PRO B CD 1
ATOM 31 N N . LEU A 1 6 ? 28.286 7.029 -1.165 1.00 20.94 ? 4 LEU B N 1
ATOM 32 C CA . LEU A 1 6 ? 28.632 8.280 -0.489 1.00 19.32 ? 4 LEU B CA 1
ATOM 33 C C . LEU A 1 6 ? 28.952 8.113 0.996 1.00 19.84 ? 4 LEU B C 1
ATOM 34 O O . LEU A 1 6 ? 29.250 9.090 1.681 1.00 18.36 ? 4 LEU B O 1
ATOM 35 C CB . LEU A 1 6 ? 27.484 9.283 -0.636 1.00 19.93 ? 4 LEU B CB 1
ATOM 36 C CG . LEU A 1 6 ? 27.016 9.660 -2.045 1.00 19.38 ? 4 LEU B CG 1
ATOM 37 C CD1 . LEU A 1 6 ? 25.720 10.451 -1.942 1.00 18.61 ? 4 LEU B CD1 1
ATOM 38 C CD2 . LEU A 1 6 ? 28.092 10.466 -2.758 1.00 17.82 ? 4 LEU B CD2 1
ATOM 39 N N . GLY A 1 7 ? 28.892 6.883 1.493 1.00 20.03 ? 5 GLY B N 1
ATOM 40 C CA . GLY A 1 7 ? 29.155 6.658 2.904 1.00 22.95 ? 5 GLY B CA 1
ATOM 41 C C . GLY A 1 7 ? 30.617 6.572 3.295 1.00 25.72 ? 5 GLY B C 1
ATOM 42 O O . GLY A 1 7 ? 31.449 6.090 2.529 1.00 26.45 ? 5 GLY B O 1
ATOM 43 N N . GLY A 1 8 ? 30.936 7.056 4.491 1.00 26.64 ? 6 GLY B N 1
ATOM 44 C CA . GLY A 1 8 ? 32.308 6.984 4.958 1.00 26.56 ? 6 GLY B CA 1
ATOM 45 C C . GLY A 1 8 ? 32.508 5.581 5.493 1.00 26.16 ? 6 GLY B C 1
ATOM 46 O O . GLY A 1 8 ? 31.805 4.655 5.086 1.00 28.68 ? 6 GLY B O 1
ATOM 47 N N . ALA A 1 9 ? 33.461 5.395 6.394 1.00 23.25 ? 7 ALA B N 1
ATOM 48 C CA . ALA A 1 9 ? 33.650 4.074 6.956 1.00 22.67 ? 7 ALA B CA 1
ATOM 49 C C . ALA A 1 9 ? 33.897 4.206 8.452 1.00 20.55 ? 7 ALA B C 1
ATOM 50 O O . ALA A 1 9 ? 35.020 4.335 8.934 1.00 19.98 ? 7 ALA B O 1
ATOM 51 C CB . ALA A 1 9 ? 34.772 3.336 6.252 1.00 24.47 ? 7 ALA B CB 1
ATOM 52 N N . PRO A 1 10 ? 32.802 4.189 9.209 1.00 16.67 ? 8 PRO B N 1
ATOM 53 C CA . PRO A 1 10 ? 32.726 4.303 10.662 1.00 15.49 ? 8 PRO B CA 1
ATOM 54 C C . PRO A 1 10 ? 33.409 3.152 11.382 1.00 14.55 ? 8 PRO B C 1
ATOM 55 O O . PRO A 1 10 ? 33.637 2.088 10.804 1.00 14.32 ? 8 PRO B O 1
ATOM 56 C CB . PRO A 1 10 ? 31.226 4.315 10.907 1.00 13.71 ? 8 PRO B CB 1
ATOM 57 C CG . PRO A 1 10 ? 30.745 3.347 9.883 1.00 14.92 ? 8 PRO B CG 1
ATOM 58 C CD . PRO A 1 10 ? 31.495 3.801 8.651 1.00 17.07 ? 8 PRO B CD 1
ATOM 59 N N . ARG A 1 11 ? 33.736 3.377 12.648 1.00 14.83 ? 9 ARG B N 1
ATOM 60 C CA . ARG A 1 11 ? 34.364 2.352 13.466 1.00 15.86 ? 9 ARG B CA 1
ATOM 61 C C . ARG A 1 11 ? 33.251 1.576 14.155 1.00 13.78 ? 9 ARG B C 1
ATOM 62 O O . ARG A 1 11 ? 33.442 0.443 14.584 1.00 10.49 ? 9 ARG B O 1
ATOM 63 C CB . ARG A 1 11 ? 35.283 2.991 14.511 1.00 19.87 ? 9 ARG B CB 1
ATOM 64 C CG . ARG A 1 11 ? 36.502 3.689 13.907 1.00 25.32 ? 9 ARG B CG 1
ATOM 65 C CD . ARG A 1 11 ? 37.270 4.482 14.954 1.00 31.77 ? 9 ARG B CD 1
ATOM 66 N NE . ARG A 1 11 ? 38.039 3.635 15.860 1.00 37.08 ? 9 ARG B NE 1
ATOM 67 C CZ . ARG A 1 11 ? 39.337 3.375 15.723 1.00 38.37 ? 9 ARG B CZ 1
ATOM 68 N NH1 . ARG A 1 11 ? 40.021 3.898 14.713 1.00 40.41 ? 9 ARG B NH1 1
ATOM 69 N NH2 . ARG A 1 11 ? 39.952 2.593 16.599 1.00 38.47 ? 9 ARG B NH2 1
ATOM 70 N N . LEU A 1 12 ? 32.077 2.196 14.235 1.00 12.91 ? 10 LEU B N 1
ATOM 71 C CA . LEU A 1 12 ? 30.924 1.575 14.876 1.00 11.44 ? 10 LEU B CA 1
ATOM 72 C C . LEU A 1 12 ? 29.621 2.214 14.407 1.00 11.46 ? 10 LEU B C 1
ATOM 73 O O . LEU A 1 12 ? 29.505 3.436 14.347 1.00 11.57 ? 10 LEU B O 1
ATOM 74 C CB . LEU A 1 12 ? 31.025 1.721 16.400 1.00 12.38 ? 10 LEU B CB 1
ATOM 75 C CG . LEU A 1 12 ? 29.815 1.223 17.201 1.00 10.85 ? 10 LEU B CG 1
ATOM 76 C CD1 . LEU A 1 12 ? 29.691 -0.280 17.041 1.00 11.46 ? 10 LEU B CD1 1
ATOM 77 C CD2 . LEU A 1 12 ? 29.974 1.591 18.671 1.00 12.31 ? 10 LEU B CD2 1
ATOM 78 N N . VAL A 1 13 ? 28.646 1.378 14.073 1.00 10.55 ? 11 VAL B N 1
ATOM 79 C CA . VAL A 1 13 ? 27.343 1.861 13.649 1.00 10.72 ? 11 VAL B CA 1
ATOM 80 C C . VAL A 1 13 ? 26.309 1.219 14.562 1.00 10.33 ? 11 VAL B C 1
ATOM 81 O O . VAL A 1 13 ? 26.126 0.001 14.529 1.00 10.84 ? 11 VAL B O 1
ATOM 82 C CB . VAL A 1 13 ? 27.028 1.463 12.196 1.00 13.20 ? 11 VAL B CB 1
ATOM 83 C CG1 . VAL A 1 13 ? 25.626 1.924 11.827 1.00 13.96 ? 11 VAL B CG1 1
ATOM 84 C CG2 . VAL A 1 13 ? 28.049 2.079 11.255 1.00 11.84 ? 11 VAL B CG2 1
ATOM 85 N N . LEU A 1 14 ? 25.657 2.039 15.385 1.00 10.82 ? 12 LEU B N 1
ATOM 86 C CA . LEU A 1 14 ? 24.633 1.562 16.307 1.00 11.84 ? 12 LEU B CA 1
ATOM 87 C C . LEU A 1 14 ? 23.257 1.784 15.693 1.00 9.09 ? 12 LEU B C 1
ATOM 88 O O . LEU A 1 14 ? 22.889 2.915 15.379 1.00 10.45 ? 12 LEU B O 1
ATOM 89 C CB . LEU A 1 14 ? 24.730 2.308 17.642 1.00 14.45 ? 12 LEU B CB 1
ATOM 90 C CG . LEU A 1 14 ? 25.987 1.994 18.460 1.00 17.40 ? 12 LEU B CG 1
ATOM 91 C CD1 . LEU A 1 14 ? 26.011 2.829 19.732 1.00 18.75 ? 12 LEU B CD1 1
ATOM 92 C CD2 . LEU A 1 14 ? 26.009 0.510 18.789 1.00 18.11 ? 12 LEU B CD2 1
ATOM 93 N N . LEU A 1 15 ? 22.514 0.697 15.510 1.00 10.03 ? 13 LEU B N 1
ATOM 94 C CA . LEU A 1 15 ? 21.181 0.764 14.922 1.00 10.13 ? 13 LEU B CA 1
ATOM 95 C C . LEU A 1 15 ? 20.135 0.672 16.013 1.00 8.90 ? 13 LEU B C 1
ATOM 96 O O . LEU A 1 15 ? 19.849 -0.413 16.513 1.00 10.26 ? 13 LEU B O 1
ATOM 97 C CB . LEU A 1 15 ? 20.981 -0.383 13.936 1.00 11.53 ? 13 LEU B CB 1
ATOM 98 C CG . LEU A 1 15 ? 22.028 -0.479 12.823 1.00 13.47 ? 13 LEU B CG 1
ATOM 99 C CD1 . LEU A 1 15 ? 21.737 -1.701 11.976 1.00 14.48 ? 13 LEU B CD1 1
ATOM 100 C CD2 . LEU A 1 15 ? 22.010 0.788 11.968 1.00 13.05 ? 13 LEU B CD2 1
ATOM 101 N N . PHE A 1 16 ? 19.562 1.816 16.366 1.00 9.17 ? 14 PHE B N 1
ATOM 102 C CA . PHE A 1 16 ? 18.545 1.885 17.404 1.00 9.96 ? 14 PHE B CA 1
ATOM 103 C C . PHE A 1 16 ? 17.139 1.740 16.853 1.00 9.04 ? 14 PHE B C 1
ATOM 104 O O . PHE A 1 16 ? 16.860 2.106 15.715 1.00 7.55 ? 14 PHE B O 1
ATOM 105 C CB . PHE A 1 16 ? 18.647 3.221 18.144 1.00 9.34 ? 14 PHE B CB 1
ATOM 106 C CG . PHE A 1 16 ? 19.700 3.242 19.207 1.00 14.08 ? 14 PHE B CG 1
ATOM 107 C CD1 . PHE A 1 16 ? 19.395 2.857 20.510 1.00 12.21 ? 14 PHE B CD1 1
ATOM 108 C CD2 . PHE A 1 16 ? 21.006 3.621 18.905 1.00 16.57 ? 14 PHE B CD2 1
ATOM 109 C CE1 . PHE A 1 16 ? 20.378 2.850 21.497 1.00 15.76 ? 14 PHE B CE1 1
ATOM 110 C CE2 . PHE A 1 16 ? 21.996 3.614 19.890 1.00 14.83 ? 14 PHE B CE2 1
ATOM 111 C CZ . PHE A 1 16 ? 21.678 3.229 21.183 1.00 13.97 ? 14 PHE B CZ 1
ATOM 112 N N . SER A 1 17 ? 16.255 1.197 17.679 1.00 9.11 ? 15 SER B N 1
ATOM 113 C CA . SER A 1 17 ? 14.859 1.041 17.314 1.00 9.90 ? 15 SER B CA 1
ATOM 114 C C . SER A 1 17 ? 14.105 0.933 18.629 1.00 10.95 ? 15 SER B C 1
ATOM 115 O O . SER A 1 17 ? 14.702 0.641 19.672 1.00 9.49 ? 15 SER B O 1
ATOM 116 C CB . SER A 1 17 ? 14.632 -0.218 16.472 1.00 8.58 ? 15 SER B CB 1
ATOM 117 O OG . SER A 1 17 ? 14.896 -1.402 17.206 1.00 10.20 ? 15 SER B OG 1
ATOM 118 N N . GLY A 1 18 ? 12.801 1.191 18.578 1.00 11.98 ? 16 GLY B N 1
ATOM 119 C CA . GLY A 1 18 ? 11.988 1.111 19.777 1.00 10.49 ? 16 GLY B CA 1
ATOM 120 C C . GLY A 1 18 ? 10.636 1.759 19.560 1.00 10.38 ? 16 GLY B C 1
ATOM 121 O O . GLY A 1 18 ? 10.520 2.737 18.821 1.00 8.64 ? 16 GLY B O 1
ATOM 122 N N . LYS A 1 19 ? 9.608 1.202 20.188 1.00 10.33 ? 17 LYS B N 1
ATOM 123 C CA . LYS A 1 19 ? 8.260 1.741 20.070 1.00 9.97 ? 17 LYS B CA 1
ATOM 124 C C . LYS A 1 19 ? 8.189 3.127 20.704 1.00 9.77 ? 17 LYS B C 1
ATOM 125 O O . LYS A 1 19 ? 8.989 3.460 21.582 1.00 10.23 ? 17 LYS B O 1
ATOM 126 C CB . LYS A 1 19 ? 7.262 0.802 20.749 1.00 9.55 ? 17 LYS B CB 1
ATOM 127 C CG . LYS A 1 19 ? 7.093 -0.535 20.039 1.00 9.85 ? 17 LYS B CG 1
ATOM 128 C CD . LYS A 1 19 ? 6.159 -1.458 20.808 1.00 10.84 ? 17 LYS B CD 1
ATOM 129 C CE . LYS A 1 19 ? 5.956 -2.784 20.082 1.00 10.80 ? 17 LYS B CE 1
ATOM 130 N NZ . LYS A 1 19 ? 5.248 -2.592 18.774 1.00 12.26 ? 17 LYS B NZ 1
ATOM 131 N N . ARG A 1 20 ? 7.222 3.924 20.264 1.00 8.04 ? 18 ARG B N 1
ATOM 132 C CA . ARG A 1 20 ? 7.055 5.280 20.772 1.00 9.50 ? 18 ARG B CA 1
ATOM 133 C C . ARG A 1 20 ? 6.857 5.331 22.286 1.00 9.39 ? 18 ARG B C 1
ATOM 134 O O . ARG A 1 20 ? 6.407 4.362 22.895 1.00 8.89 ? 18 ARG B O 1
ATOM 135 C CB . ARG A 1 20 ? 5.872 5.957 20.068 1.00 10.53 ? 18 ARG B CB 1
ATOM 136 C CG . ARG A 1 20 ? 4.503 5.391 20.416 1.00 11.73 ? 18 ARG B CG 1
ATOM 137 C CD . ARG A 1 20 ? 3.440 5.837 19.410 1.00 14.97 ? 18 ARG B CD 1
ATOM 138 N NE . ARG A 1 20 ? 2.082 5.475 19.830 1.00 14.44 ? 18 ARG B NE 1
ATOM 139 C CZ . ARG A 1 20 ? 1.287 6.253 20.561 1.00 17.79 ? 18 ARG B CZ 1
ATOM 140 N NH1 . ARG A 1 20 ? 1.702 7.451 20.960 1.00 17.99 ? 18 ARG B NH1 1
ATOM 141 N NH2 . ARG A 1 20 ? 0.071 5.835 20.896 1.00 17.66 ? 18 ARG B NH2 1
ATOM 142 N N . LYS A 1 21 ? 7.210 6.470 22.876 1.00 9.57 ? 19 LYS B N 1
ATOM 143 C CA . LYS A 1 21 ? 7.076 6.705 24.310 1.00 11.37 ? 19 LYS B CA 1
ATOM 144 C C . LYS A 1 21 ? 7.799 5.678 25.182 1.00 12.70 ? 19 LYS B C 1
ATOM 145 O O . LYS A 1 21 ? 7.345 5.360 26.284 1.00 12.11 ? 19 LYS B O 1
ATOM 146 C CB . LYS A 1 21 ? 5.590 6.767 24.685 1.00 13.10 ? 19 LYS B CB 1
ATOM 147 C CG . LYS A 1 21 ? 4.857 7.986 24.114 1.00 15.92 ? 19 LYS B CG 1
ATOM 148 C CD . LYS A 1 21 ? 3.375 7.962 24.472 1.00 18.66 ? 19 LYS B CD 1
ATOM 149 C CE . LYS A 1 21 ? 2.625 9.173 23.932 1.00 18.94 ? 19 LYS B CE 1
ATOM 150 N NZ . LYS A 1 21 ? 3.033 10.431 24.603 1.00 23.77 ? 19 LYS B NZ 1
ATOM 151 N N . SER A 1 22 ? 8.939 5.184 24.705 1.00 9.85 ? 20 SER B N 1
ATOM 152 C CA . SER A 1 22 ? 9.698 4.188 25.455 1.00 9.35 ? 20 SER B CA 1
ATOM 153 C C . SER A 1 22 ? 11.046 4.716 25.962 1.00 9.84 ? 20 SER B C 1
ATOM 154 O O . SER A 1 22 ? 11.772 4.016 26.665 1.00 9.08 ? 20 SER B O 1
ATOM 155 C CB . SER A 1 22 ? 9.915 2.944 24.591 1.00 8.83 ? 20 SER B CB 1
ATOM 156 O OG . SER A 1 22 ? 8.675 2.391 24.170 1.00 11.28 ? 20 SER B OG 1
ATOM 157 N N . GLY A 1 23 ? 11.374 5.953 25.606 1.00 10.20 ? 21 GLY B N 1
ATOM 158 C CA . GLY A 1 23 ? 12.627 6.539 26.051 1.00 9.78 ? 21 GLY B CA 1
ATOM 159 C C . GLY A 1 23 ? 13.781 6.417 25.072 1.00 8.99 ? 21 GLY B C 1
ATOM 160 O O . GLY A 1 23 ? 14.936 6.641 25.438 1.00 8.64 ? 21 GLY B O 1
ATOM 161 N N . LYS A 1 24 ? 13.483 6.069 23.826 1.00 10.06 ? 22 LYS B N 1
ATOM 162 C CA . LYS A 1 24 ? 14.537 5.922 22.829 1.00 11.47 ? 22 LYS B CA 1
ATOM 163 C C . LYS A 1 24 ? 15.297 7.222 22.567 1.00 11.36 ? 22 LYS B C 1
ATOM 164 O O . LYS A 1 24 ? 16.528 7.212 22.491 1.00 11.30 ? 22 LYS B O 1
ATOM 165 C CB . LYS A 1 24 ? 13.961 5.382 21.520 1.00 10.89 ? 22 LYS B CB 1
ATOM 166 C CG . LYS A 1 24 ? 15.016 5.065 20.463 1.00 12.84 ? 22 LYS B CG 1
ATOM 167 C CD . LYS A 1 24 ? 14.421 4.305 19.281 1.00 13.20 ? 22 LYS B CD 1
ATOM 168 C CE . LYS A 1 24 ? 13.418 5.148 18.509 1.00 17.59 ? 22 LYS B CE 1
ATOM 169 N NZ . LYS A 1 24 ? 14.037 6.383 17.960 1.00 15.02 ? 22 LYS B NZ 1
ATOM 170 N N . ASP A 1 25 ? 14.579 8.336 22.426 1.00 11.67 ? 23 ASP B N 1
ATOM 171 C CA . ASP A 1 25 ? 15.230 9.630 22.186 1.00 12.56 ? 23 ASP B CA 1
ATOM 172 C C . ASP A 1 25 ? 16.092 10.026 23.379 1.00 12.36 ? 23 ASP B C 1
ATOM 173 O O . ASP A 1 25 ? 17.146 10.645 23.223 1.00 11.40 ? 23 ASP B O 1
ATOM 174 C CB . ASP A 1 25 ? 14.200 10.738 21.936 1.00 16.41 ? 23 ASP B CB 1
ATOM 175 C CG . ASP A 1 25 ? 13.551 10.640 20.573 1.00 20.55 ? 23 ASP B CG 1
ATOM 176 O OD1 . ASP A 1 25 ? 14.084 9.916 19.706 1.00 20.91 ? 23 ASP B OD1 1
ATOM 177 O OD2 . ASP A 1 25 ? 12.511 11.303 20.367 1.00 22.84 ? 23 ASP B OD2 1
ATOM 178 N N . PHE A 1 26 ? 15.630 9.684 24.576 1.00 9.57 ? 24 PHE B N 1
ATOM 179 C CA . PHE A 1 26 ? 16.384 9.991 25.783 1.00 10.35 ? 24 PHE B CA 1
ATOM 180 C C . PHE A 1 26 ? 17.734 9.283 25.680 1.00 9.75 ? 24 PHE B C 1
ATOM 181 O O . PHE A 1 26 ? 18.783 9.863 25.967 1.00 9.97 ? 24 PHE B O 1
ATOM 182 C CB . PHE A 1 26 ? 15.627 9.483 27.015 1.00 12.15 ? 24 PHE B CB 1
ATOM 183 C CG . PHE A 1 26 ? 16.230 9.919 28.326 1.00 11.34 ? 24 PHE B CG 1
ATOM 184 C CD1 . PHE A 1 26 ? 15.829 11.111 28.931 1.00 12.91 ? 24 PHE B CD1 1
ATOM 185 C CD2 . PHE A 1 26 ? 17.191 9.140 28.956 1.00 12.75 ? 24 PHE B CD2 1
ATOM 186 C CE1 . PHE A 1 26 ? 16.379 11.515 30.149 1.00 13.85 ? 24 PHE B CE1 1
ATOM 187 C CE2 . PHE A 1 26 ? 17.750 9.534 30.174 1.00 13.48 ? 24 PHE B CE2 1
ATOM 188 C CZ . PHE A 1 26 ? 17.345 10.719 30.771 1.00 13.62 ? 24 PHE B CZ 1
ATOM 189 N N . VAL A 1 27 ? 17.702 8.022 25.265 1.00 9.48 ? 25 VAL B N 1
ATOM 190 C CA . VAL A 1 27 ? 18.926 7.236 25.135 1.00 10.55 ? 25 VAL B CA 1
ATOM 191 C C . VAL A 1 27 ? 19.879 7.758 24.055 1.00 9.89 ? 25 VAL B C 1
ATOM 192 O O . VAL A 1 27 ? 21.064 7.969 24.316 1.00 9.73 ? 25 VAL B O 1
ATOM 193 C CB . VAL A 1 27 ? 18.607 5.758 24.834 1.00 10.39 ? 25 VAL B CB 1
ATOM 194 C CG1 . VAL A 1 27 ? 19.897 4.986 24.544 1.00 13.01 ? 25 VAL B CG1 1
ATOM 195 C CG2 . VAL A 1 27 ? 17.888 5.133 26.027 1.00 11.91 ? 25 VAL B CG2 1
ATOM 196 N N . THR A 1 28 ? 19.368 7.968 22.849 1.00 9.95 ? 26 THR B N 1
ATOM 197 C CA . THR A 1 28 ? 20.223 8.438 21.767 1.00 10.62 ? 26 THR B CA 1
ATOM 198 C C . THR A 1 28 ? 20.817 9.825 22.011 1.00 12.15 ? 26 THR B C 1
ATOM 199 O O . THR A 1 28 ? 21.991 10.059 21.712 1.00 10.63 ? 26 THR B O 1
ATOM 200 C CB . THR A 1 28 ? 19.482 8.400 20.399 1.00 9.16 ? 26 THR B CB 1
ATOM 201 O OG1 . THR A 1 28 ? 18.316 9.230 20.438 1.00 11.22 ? 26 THR B OG1 1
ATOM 202 C CG2 . THR A 1 28 ? 19.069 6.976 20.072 1.00 11.49 ? 26 THR B CG2 1
ATOM 203 N N . GLU A 1 29 ? 20.035 10.746 22.570 1.00 10.36 ? 27 GLU B N 1
ATOM 204 C CA . GLU A 1 29 ? 20.576 12.074 22.829 1.00 12.02 ? 27 GLU B CA 1
ATOM 205 C C . GLU A 1 29 ? 21.605 12.065 23.960 1.00 11.50 ? 27 GLU B C 1
ATOM 206 O O . GLU A 1 29 ? 22.553 12.852 23.948 1.00 13.45 ? 27 GLU B O 1
ATOM 207 C CB . GLU A 1 29 ? 19.456 13.073 23.131 1.00 13.60 ? 27 GLU B CB 1
ATOM 208 C CG . GLU A 1 29 ? 18.632 13.420 21.903 1.00 16.70 ? 27 GLU B CG 1
ATOM 209 C CD . GLU A 1 29 ? 18.103 14.841 21.934 1.00 19.55 ? 27 GLU B CD 1
ATOM 210 O OE1 . GLU A 1 29 ? 18.409 15.575 22.901 1.00 19.16 ? 27 GLU B OE1 1
ATOM 211 O OE2 . GLU A 1 29 ? 17.382 15.221 20.987 1.00 21.84 ? 27 GLU B OE2 1
ATOM 212 N N . ALA A 1 30 ? 21.426 11.175 24.931 1.00 10.59 ? 28 ALA B N 1
ATOM 213 C CA . ALA A 1 30 ? 22.370 11.078 26.037 1.00 11.65 ? 28 ALA B CA 1
ATOM 214 C C . ALA A 1 30 ? 23.716 10.584 25.502 1.00 12.67 ? 28 ALA B C 1
ATOM 215 O O . ALA A 1 30 ? 24.775 11.084 25.890 1.00 12.27 ? 28 ALA B O 1
ATOM 216 C CB . ALA A 1 30 ? 21.849 10.116 27.092 1.00 11.37 ? 28 ALA B CB 1
ATOM 217 N N . LEU A 1 31 ? 23.666 9.603 24.605 1.00 12.47 ? 29 LEU B N 1
ATOM 218 C CA . LEU A 1 31 ? 24.880 9.043 24.021 1.00 14.32 ? 29 LEU B CA 1
ATOM 219 C C . LEU A 1 31 ? 25.645 10.085 23.215 1.00 15.98 ? 29 LEU B C 1
ATOM 220 O O . LEU A 1 31 ? 26.861 10.219 23.364 1.00 16.20 ? 29 LEU B O 1
ATOM 221 C CB . LEU A 1 31 ? 24.546 7.841 23.127 1.00 14.37 ? 29 LEU B CB 1
ATOM 222 C CG . LEU A 1 31 ? 23.959 6.594 23.801 1.00 16.18 ? 29 LEU B CG 1
ATOM 223 C CD1 . LEU A 1 31 ? 23.671 5.537 22.741 1.00 15.58 ? 29 LEU B CD1 1
ATOM 224 C CD2 . LEU A 1 31 ? 24.920 6.051 24.855 1.00 15.29 ? 29 LEU B CD2 1
ATOM 225 N N . GLN A 1 32 ? 24.945 10.830 22.365 1.00 17.05 ? 30 GLN B N 1
ATOM 226 C CA . GLN A 1 32 ? 25.628 11.844 21.568 1.00 19.32 ? 30 GLN B CA 1
ATOM 227 C C . GLN A 1 32 ? 26.215 12.925 22.473 1.00 20.50 ? 30 GLN B C 1
ATOM 228 O O . GLN A 1 32 ? 27.326 13.410 22.238 1.00 20.63 ? 30 GLN B O 1
ATOM 229 C CB . GLN A 1 32 ? 24.677 12.475 20.547 1.00 19.03 ? 30 GLN B CB 1
ATOM 230 C CG . GLN A 1 32 ? 25.376 13.464 19.612 1.00 22.08 ? 30 GLN B CG 1
ATOM 231 C CD . GLN A 1 32 ? 24.488 13.945 18.485 1.00 23.35 ? 30 GLN B CD 1
ATOM 232 O OE1 . GLN A 1 32 ? 23.394 14.454 18.716 1.00 24.82 ? 30 GLN B OE1 1
ATOM 233 N NE2 . GLN A 1 32 ? 24.960 13.786 17.249 1.00 23.83 ? 30 GLN B NE2 1
ATOM 234 N N . SER A 1 33 ? 25.474 13.298 23.513 1.00 20.23 ? 31 SER B N 1
ATOM 235 C CA . SER A 1 33 ? 25.945 14.316 24.448 1.00 21.86 ? 31 SER B CA 1
ATOM 236 C C . SER A 1 33 ? 27.264 13.921 25.099 1.00 21.52 ? 31 SER B C 1
ATOM 237 O O . SER A 1 33 ? 28.216 14.703 25.112 1.00 23.22 ? 31 SER B O 1
ATOM 238 C CB . SER A 1 33 ? 24.907 14.559 25.546 1.00 22.52 ? 31 SER B CB 1
ATOM 239 O OG . SER A 1 33 ? 23.724 15.136 25.022 1.00 28.58 ? 31 SER B OG 1
ATOM 240 N N . ARG A 1 34 ? 27.311 12.707 25.638 1.00 22.01 ? 32 ARG B N 1
ATOM 241 C CA . ARG A 1 34 ? 28.497 12.196 26.320 1.00 22.95 ? 32 ARG B CA 1
ATOM 242 C C . ARG A 1 34 ? 29.700 12.038 25.395 1.00 24.06 ? 32 ARG B C 1
ATOM 243 O O . ARG A 1 34 ? 30.837 12.280 25.801 1.00 23.69 ? 32 ARG B O 1
ATOM 244 C CB . ARG A 1 34 ? 28.202 10.833 26.965 1.00 23.52 ? 32 ARG B CB 1
ATOM 245 C CG . ARG A 1 34 ? 26.956 10.766 27.852 1.00 26.92 ? 32 ARG B CG 1
ATOM 246 C CD . ARG A 1 34 ? 27.103 11.562 29.139 1.00 27.20 ? 32 ARG B CD 1
ATOM 247 N NE . ARG A 1 34 ? 25.843 11.650 29.878 1.00 28.15 ? 32 ARG B NE 1
ATOM 248 C CZ . ARG A 1 34 ? 25.344 10.700 30.667 1.00 28.34 ? 32 ARG B CZ 1
ATOM 249 N NH1 . ARG A 1 34 ? 25.991 9.557 30.849 1.00 27.96 ? 32 ARG B NH1 1
ATOM 250 N NH2 . ARG A 1 34 ? 24.184 10.897 31.281 1.00 26.72 ? 32 ARG B NH2 1
ATOM 251 N N . LEU A 1 35 ? 29.450 11.627 24.155 1.00 22.86 ? 33 LEU B N 1
ATOM 252 C CA . LEU A 1 35 ? 30.529 11.406 23.195 1.00 23.31 ? 33 LEU B CA 1
ATOM 253 C C . LEU A 1 35 ? 30.993 12.663 22.464 1.00 22.99 ? 33 LEU B C 1
ATOM 254 O O . LEU A 1 35 ? 32.181 12.804 22.156 1.00 24.01 ? 33 LEU B O 1
ATOM 255 C CB . LEU A 1 35 ? 30.099 10.346 22.175 1.00 22.79 ? 33 LEU B CB 1
ATOM 256 C CG . LEU A 1 35 ? 29.792 8.951 22.729 1.00 22.98 ? 33 LEU B CG 1
ATOM 257 C CD1 . LEU A 1 35 ? 29.020 8.142 21.695 1.00 22.01 ? 33 LEU B CD1 1
ATOM 258 C CD2 . LEU A 1 35 ? 31.089 8.248 23.119 1.00 23.39 ? 33 LEU B CD2 1
ATOM 259 N N . GLY A 1 36 ? 30.062 13.569 22.184 1.00 22.17 ? 34 GLY B N 1
ATOM 260 C CA . GLY A 1 36 ? 30.411 14.784 21.471 1.00 22.96 ? 34 GLY B CA 1
ATOM 261 C C . GLY A 1 36 ? 29.996 14.651 20.020 1.00 23.39 ? 34 GLY B C 1
ATOM 262 O O . GLY A 1 36 ? 30.142 13.583 19.429 1.00 22.75 ? 34 GLY B O 1
ATOM 263 N N . ALA A 1 37 ? 29.482 15.732 19.442 1.00 26.22 ? 35 ALA B N 1
ATOM 264 C CA . ALA A 1 37 ? 29.025 15.725 18.055 1.00 27.34 ? 35 ALA B CA 1
ATOM 265 C C . ALA A 1 37 ? 30.106 15.363 17.042 1.00 28.31 ? 35 ALA B C 1
ATOM 266 O O . ALA A 1 37 ? 29.799 14.829 15.975 1.00 29.84 ? 35 ALA B O 1
ATOM 267 C CB . ALA A 1 37 ? 28.423 17.076 17.704 1.00 29.33 ? 35 ALA B CB 1
ATOM 268 N N . ASP A 1 38 ? 31.364 15.654 17.362 1.00 28.63 ? 36 ASP B N 1
ATOM 269 C CA . ASP A 1 38 ? 32.460 15.345 16.448 1.00 27.94 ? 36 ASP B CA 1
ATOM 270 C C . ASP A 1 38 ? 32.862 13.874 16.512 1.00 25.24 ? 36 ASP B C 1
ATOM 271 O O . ASP A 1 38 ? 33.514 13.357 15.606 1.00 22.98 ? 36 ASP B O 1
ATOM 272 C CB . ASP A 1 38 ? 33.676 16.229 16.747 1.00 32.19 ? 36 ASP B CB 1
ATOM 273 C CG . ASP A 1 38 ? 34.273 15.969 18.118 1.00 35.55 ? 36 ASP B CG 1
ATOM 274 O OD1 . ASP A 1 38 ? 35.308 16.593 18.436 1.00 36.87 ? 36 ASP B OD1 1
ATOM 275 O OD2 . ASP A 1 38 ? 33.712 15.150 18.877 1.00 39.06 ? 36 ASP B OD2 1
ATOM 276 N N . VAL A 1 39 ? 32.473 13.202 17.587 1.00 21.63 ? 37 VAL B N 1
ATOM 277 C CA . VAL A 1 39 ? 32.783 11.789 17.746 1.00 18.99 ? 37 VAL B CA 1
ATOM 278 C C . VAL A 1 39 ? 31.593 10.949 17.290 1.00 17.65 ? 37 VAL B C 1
ATOM 279 O O . VAL A 1 39 ? 31.753 9.951 16.589 1.00 13.95 ? 37 VAL B O 1
ATOM 280 C CB . VAL A 1 39 ? 33.077 11.438 19.224 1.00 19.45 ? 37 VAL B CB 1
ATOM 281 C CG1 . VAL A 1 39 ? 33.166 9.923 19.394 1.00 20.78 ? 37 VAL B CG1 1
ATOM 282 C CG2 . VAL A 1 39 ? 34.370 12.101 19.669 1.00 21.89 ? 37 VAL B CG2 1
ATOM 283 N N . CYS A 1 40 ? 30.401 11.380 17.686 1.00 17.74 ? 38 CYS B N 1
ATOM 284 C CA . CYS A 1 40 ? 29.175 10.658 17.376 1.00 17.61 ? 38 CYS B CA 1
ATOM 285 C C . CYS A 1 40 ? 28.167 11.460 16.564 1.00 18.58 ? 38 CYS B C 1
ATOM 286 O O . CYS A 1 40 ? 27.878 12.617 16.872 1.00 21.82 ? 38 CYS B O 1
ATOM 287 C CB . CYS A 1 40 ? 28.534 10.198 18.686 1.00 19.38 ? 38 CYS B CB 1
ATOM 288 S SG . CYS A 1 40 ? 27.014 9.278 18.509 1.00 19.97 ? 38 CYS B SG 1
ATOM 289 N N . ALA A 1 41 ? 27.634 10.834 15.520 1.00 18.14 ? 39 ALA B N 1
ATOM 290 C CA . ALA A 1 41 ? 26.642 11.470 14.665 1.00 17.76 ? 39 ALA B CA 1
ATOM 291 C C . ALA A 1 41 ? 25.323 10.720 14.811 1.00 15.73 ? 39 ALA B C 1
ATOM 292 O O . ALA A 1 41 ? 25.308 9.492 14.880 1.00 15.30 ? 39 ALA B O 1
ATOM 293 C CB . ALA A 1 41 ? 27.098 11.434 13.211 1.00 18.69 ? 39 ALA B CB 1
ATOM 294 N N . VAL A 1 42 ? 24.221 11.457 14.874 1.00 14.67 ? 40 VAL B N 1
ATOM 295 C CA . VAL A 1 42 ? 22.907 10.831 14.982 1.00 14.85 ? 40 VAL B CA 1
ATOM 296 C C . VAL A 1 42 ? 22.259 10.949 13.613 1.00 12.30 ? 40 VAL B C 1
ATOM 297 O O . VAL A 1 42 ? 22.081 12.056 13.096 1.00 13.14 ? 40 VAL B O 1
ATOM 298 C CB . VAL A 1 42 ? 22.022 11.527 16.034 1.00 15.04 ? 40 VAL B CB 1
ATOM 299 C CG1 . VAL A 1 42 ? 20.613 10.959 15.987 1.00 17.22 ? 40 VAL B CG1 1
ATOM 300 C CG2 . VAL A 1 42 ? 22.616 11.322 17.419 1.00 18.38 ? 40 VAL B CG2 1
ATOM 301 N N . LEU A 1 43 ? 21.925 9.804 13.030 1.00 11.54 ? 41 LEU B N 1
ATOM 302 C CA . LEU A 1 43 ? 21.321 9.748 11.705 1.00 12.46 ? 41 LEU B CA 1
ATOM 303 C C . LEU A 1 43 ? 19.868 9.301 11.812 1.00 12.29 ? 41 LEU B C 1
ATOM 304 O O . LEU A 1 43 ? 19.556 8.353 12.531 1.00 11.88 ? 41 LEU B O 1
ATOM 305 C CB . LEU A 1 43 ? 22.100 8.771 10.822 1.00 12.16 ? 41 LEU B CB 1
ATOM 306 C CG . LEU A 1 43 ? 23.627 8.920 10.826 1.00 15.95 ? 41 LEU B CG 1
ATOM 307 C CD1 . LEU A 1 43 ? 24.230 7.963 9.803 1.00 13.70 ? 41 LEU B CD1 1
ATOM 308 C CD2 . LEU A 1 43 ? 24.012 10.364 10.510 1.00 15.13 ? 41 LEU B CD2 1
ATOM 309 N N . ARG A 1 44 ? 18.986 9.995 11.099 1.00 11.36 ? 42 ARG B N 1
ATOM 310 C CA . ARG A 1 44 ? 17.560 9.680 11.124 1.00 12.27 ? 42 ARG B CA 1
ATOM 311 C C . ARG A 1 44 ? 17.010 9.345 9.749 1.00 9.54 ? 42 ARG B C 1
ATOM 312 O O . ARG A 1 44 ? 17.037 10.177 8.844 1.00 9.09 ? 42 ARG B O 1
ATOM 313 C CB . ARG A 1 44 ? 16.768 10.860 11.701 1.00 15.20 ? 42 ARG B CB 1
ATOM 314 C CG . ARG A 1 44 ? 16.889 11.036 13.208 1.00 21.06 ? 42 ARG B CG 1
ATOM 315 C CD . ARG A 1 44 ? 16.209 12.321 13.663 1.00 24.42 ? 42 ARG B CD 1
ATOM 316 N NE . ARG A 1 44 ? 17.021 13.500 13.368 1.00 30.81 ? 42 ARG B NE 1
ATOM 317 C CZ . ARG A 1 44 ? 18.095 13.863 14.066 1.00 31.56 ? 42 ARG B CZ 1
ATOM 318 N NH1 . ARG A 1 44 ? 18.776 14.947 13.724 1.00 33.53 ? 42 ARG B NH1 1
ATOM 319 N NH2 . ARG A 1 44 ? 18.481 13.150 15.114 1.00 34.70 ? 42 ARG B NH2 1
ATOM 320 N N . LEU A 1 45 ? 16.501 8.125 9.604 1.00 9.86 ? 43 LEU B N 1
ATOM 321 C CA . LEU A 1 45 ? 15.914 7.667 8.348 1.00 9.96 ? 43 LEU B CA 1
ATOM 322 C C . LEU A 1 45 ? 14.712 8.539 7.974 1.00 11.22 ? 43 LEU B C 1
ATOM 323 O O . LEU A 1 45 ? 14.342 8.645 6.806 1.00 12.81 ? 43 LEU B O 1
ATOM 324 C CB . LEU A 1 45 ? 15.491 6.197 8.480 1.00 8.98 ? 43 LEU B CB 1
ATOM 325 C CG . LEU A 1 45 ? 16.629 5.164 8.524 1.00 9.73 ? 43 LEU B CG 1
ATOM 326 C CD1 . LEU A 1 45 ? 16.112 3.808 9.023 1.00 9.74 ? 43 LEU B CD1 1
ATOM 327 C CD2 . LEU A 1 45 ? 17.237 5.030 7.129 1.00 9.07 ? 43 LEU B CD2 1
ATOM 328 N N . SER A 1 46 ? 14.113 9.179 8.973 1.00 13.10 ? 44 SER B N 1
ATOM 329 C CA . SER A 1 46 ? 12.965 10.046 8.742 1.00 14.50 ? 44 SER B CA 1
ATOM 330 C C . SER A 1 46 ? 13.372 11.312 7.982 1.00 14.55 ? 44 SER B C 1
ATOM 331 O O . SER A 1 46 ? 12.538 11.970 7.363 1.00 14.98 ? 44 SER B O 1
ATOM 332 C CB . SER A 1 46 ? 12.327 10.433 10.079 1.00 15.56 ? 44 SER B CB 1
ATOM 333 O OG . SER A 1 46 ? 13.213 11.229 10.847 1.00 18.41 ? 44 SER B OG 1
ATOM 334 N N . GLY A 1 47 ? 14.657 11.650 8.038 1.00 13.72 ? 45 GLY B N 1
ATOM 335 C CA . GLY A 1 47 ? 15.139 12.832 7.347 1.00 13.87 ? 45 GLY B CA 1
ATOM 336 C C . GLY A 1 47 ? 14.950 12.702 5.849 1.00 15.03 ? 45 GLY B C 1
ATOM 337 O O . GLY A 1 47 ? 14.239 13.505 5.240 1.00 15.72 ? 45 GLY B O 1
ATOM 338 N N . PRO A 1 48 ? 15.581 11.700 5.219 1.00 13.46 ? 46 PRO B N 1
ATOM 339 C CA . PRO A 1 48 ? 15.447 11.503 3.774 1.00 14.12 ? 46 PRO B CA 1
ATOM 340 C C . PRO A 1 48 ? 14.015 11.174 3.368 1.00 15.00 ? 46 PRO B C 1
ATOM 341 O O . PRO A 1 48 ? 13.609 11.457 2.244 1.00 15.27 ? 46 PRO B O 1
ATOM 342 C CB . PRO A 1 48 ? 16.406 10.352 3.489 1.00 14.70 ? 46 PRO B CB 1
ATOM 343 C CG . PRO A 1 48 ? 17.470 10.547 4.530 1.00 18.20 ? 46 PRO B CG 1
ATOM 344 C CD . PRO A 1 48 ? 16.652 10.848 5.765 1.00 15.71 ? 46 PRO B CD 1
ATOM 345 N N . LEU A 1 49 ? 13.257 10.562 4.275 1.00 13.61 ? 47 LEU B N 1
ATOM 346 C CA . LEU A 1 49 ? 11.869 10.226 3.977 1.00 14.28 ? 47 LEU B CA 1
ATOM 347 C C . LEU A 1 49 ? 11.119 11.515 3.671 1.00 15.30 ? 47 LEU B C 1
ATOM 348 O O . LEU A 1 49 ? 10.441 11.628 2.652 1.00 15.57 ? 47 LEU B O 1
ATOM 349 C CB . LEU A 1 49 ? 11.207 9.526 5.171 1.00 14.74 ? 47 LEU B CB 1
ATOM 350 C CG . LEU A 1 49 ? 9.708 9.241 5.005 1.00 14.87 ? 47 LEU B CG 1
ATOM 351 C CD1 . LEU A 1 49 ? 9.490 8.299 3.830 1.00 16.18 ? 47 LEU B CD1 1
ATOM 352 C CD2 . LEU A 1 49 ? 9.155 8.633 6.282 1.00 17.64 ? 47 LEU B CD2 1
ATOM 353 N N . LYS A 1 50 ? 11.258 12.488 4.565 1.00 17.59 ? 48 LYS B N 1
ATOM 354 C CA . LYS A 1 50 ? 10.608 13.782 4.407 1.00 19.66 ? 48 LYS B CA 1
ATOM 355 C C . LYS A 1 50 ? 11.153 14.542 3.203 1.00 20.82 ? 48 LYS B C 1
ATOM 356 O O . LYS A 1 50 ? 10.386 15.024 2.369 1.00 20.04 ? 48 LYS B O 1
ATOM 357 C CB . LYS A 1 50 ? 10.809 14.627 5.667 1.00 21.61 ? 48 LYS B CB 1
ATOM 358 C CG . LYS A 1 50 ? 10.063 14.133 6.893 1.00 25.09 ? 48 LYS B CG 1
ATOM 359 C CD . LYS A 1 50 ? 10.491 14.904 8.132 1.00 28.23 ? 48 LYS B CD 1
ATOM 360 C CE . LYS A 1 50 ? 10.322 16.404 7.941 1.00 29.62 ? 48 LYS B CE 1
ATOM 361 N NZ . LYS A 1 50 ? 10.898 17.167 9.082 1.00 33.70 ? 48 LYS B NZ 1
ATOM 362 N N . GLU A 1 51 ? 12.478 14.638 3.109 1.00 21.32 ? 49 GLU B N 1
ATOM 363 C CA . GLU A 1 51 ? 13.111 15.362 2.007 1.00 22.64 ? 49 GLU B CA 1
ATOM 364 C C . GLU A 1 51 ? 12.757 14.801 0.634 1.00 22.37 ? 49 GLU B C 1
ATOM 365 O O . GLU A 1 51 ? 12.367 15.544 -0.266 1.00 24.25 ? 49 GLU B O 1
ATOM 366 C CB . GLU A 1 51 ? 14.647 15.373 2.154 1.00 23.11 ? 49 GLU B CB 1
ATOM 367 C CG . GLU A 1 51 ? 15.333 14.043 1.822 1.00 25.65 ? 49 GLU B CG 1
ATOM 368 C CD . GLU A 1 51 ? 16.821 14.185 1.486 1.00 24.57 ? 49 GLU B CD 1
ATOM 369 O OE1 . GLU A 1 51 ? 17.487 13.148 1.294 1.00 22.01 ? 49 GLU B OE1 1
ATOM 370 O OE2 . GLU A 1 51 ? 17.320 15.327 1.402 1.00 28.98 ? 49 GLU B OE2 1
ATOM 371 N N . GLN A 1 52 ? 12.897 13.491 0.472 1.00 20.69 ? 50 GLN B N 1
ATOM 372 C CA . GLN A 1 52 ? 12.616 12.856 -0.807 1.00 19.98 ? 50 GLN B CA 1
ATOM 373 C C . GLN A 1 52 ? 11.136 12.855 -1.161 1.00 21.99 ? 50 GLN B C 1
ATOM 374 O O . GLN A 1 52 ? 10.776 13.050 -2.324 1.00 20.36 ? 50 GLN B O 1
ATOM 375 C CB . GLN A 1 52 ? 13.153 11.426 -0.813 1.00 19.57 ? 50 GLN B CB 1
ATOM 376 C CG . GLN A 1 52 ? 14.671 11.329 -0.777 1.00 19.98 ? 50 GLN B CG 1
ATOM 377 C CD . GLN A 1 52 ? 15.318 11.938 -2.005 1.00 21.11 ? 50 GLN B CD 1
ATOM 378 O OE1 . GLN A 1 52 ? 14.890 11.683 -3.128 1.00 19.86 ? 50 GLN B OE1 1
ATOM 379 N NE2 . GLN A 1 52 ? 16.359 12.739 -1.797 1.00 19.30 ? 50 GLN B NE2 1
ATOM 380 N N . TYR A 1 53 ? 10.283 12.638 -0.165 1.00 20.61 ? 51 TYR B N 1
ATOM 381 C CA . TYR A 1 53 ? 8.843 12.621 -0.406 1.00 24.75 ? 51 TYR B CA 1
ATOM 382 C C . TYR A 1 53 ? 8.445 13.952 -0.998 1.00 27.17 ? 51 TYR B C 1
ATOM 383 O O . TYR A 1 53 ? 8.072 14.068 -2.165 1.00 26.11 ? 51 TYR B O 1
ATOM 384 C CB . TYR A 1 53 ? 8.065 12.439 0.898 1.00 25.09 ? 51 TYR B CB 1
ATOM 385 C CG . TYR A 1 53 ? 6.569 12.609 0.722 1.00 26.72 ? 51 TYR B CG 1
ATOM 386 C CD1 . TYR A 1 53 ? 5.787 11.575 0.212 1.00 26.95 ? 51 TYR B CD1 1
ATOM 387 C CD2 . TYR A 1 53 ? 5.942 13.820 1.027 1.00 29.31 ? 51 TYR B CD2 1
ATOM 388 C CE1 . TYR A 1 53 ? 4.414 11.737 0.008 1.00 27.59 ? 51 TYR B CE1 1
ATOM 389 C CE2 . TYR A 1 53 ? 4.570 13.996 0.825 1.00 31.03 ? 51 TYR B CE2 1
ATOM 390 C CZ . TYR A 1 53 ? 3.815 12.949 0.315 1.00 30.24 ? 51 TYR B CZ 1
ATOM 391 O OH . TYR A 1 53 ? 2.464 13.118 0.115 1.00 30.66 ? 51 TYR B OH 1
ATOM 392 N N . ALA A 1 54 ? 8.532 14.964 -0.154 1.00 30.29 ? 52 ALA B N 1
ATOM 393 C CA . ALA A 1 54 ? 8.177 16.301 -0.542 1.00 33.62 ? 52 ALA B CA 1
ATOM 394 C C . ALA A 1 54 ? 8.795 16.649 -1.900 1.00 35.34 ? 52 ALA B C 1
ATOM 395 O O . ALA A 1 54 ? 8.153 17.300 -2.725 1.00 35.05 ? 52 ALA B O 1
ATOM 396 C CB . ALA A 1 54 ? 8.626 17.249 0.539 1.00 33.03 ? 52 ALA B CB 1
ATOM 397 N N . GLN A 1 55 ? 10.019 16.183 -2.147 1.00 37.26 ? 53 GLN B N 1
ATOM 398 C CA . GLN A 1 55 ? 10.711 16.460 -3.407 1.00 38.48 ? 53 GLN B CA 1
ATOM 399 C C . GLN A 1 55 ? 10.034 15.860 -4.632 1.00 39.94 ? 53 GLN B C 1
ATOM 400 O O . GLN A 1 55 ? 9.757 16.566 -5.600 1.00 40.00 ? 53 GLN B O 1
ATOM 401 C CB . GLN A 1 55 ? 12.163 15.974 -3.344 1.00 38.77 ? 53 GLN B CB 1
ATOM 402 C CG . GLN A 1 55 ? 12.920 16.141 -4.653 1.00 38.21 ? 53 GLN B CG 1
ATOM 403 C CD . GLN A 1 55 ? 14.352 15.657 -4.566 1.00 39.39 ? 53 GLN B CD 1
ATOM 404 O OE1 . GLN A 1 55 ? 15.178 16.250 -3.871 1.00 40.13 ? 53 GLN B OE1 1
ATOM 405 N NE2 . GLN A 1 55 ? 14.653 14.570 -5.267 1.00 39.21 ? 53 GLN B NE2 1
ATOM 406 N N . GLU A 1 56 ? 9.784 14.556 -4.592 1.00 40.87 ? 54 GLU B N 1
ATOM 407 C CA . GLU A 1 56 ? 9.136 13.868 -5.703 1.00 42.20 ? 54 GLU B CA 1
ATOM 408 C C . GLU A 1 56 ? 7.680 14.289 -5.847 1.00 42.00 ? 54 GLU B C 1
ATOM 409 O O . GLU A 1 56 ? 6.927 13.687 -6.610 1.00 42.98 ? 54 GLU B O 1
ATOM 410 C CB . GLU A 1 56 ? 9.202 12.354 -5.503 1.00 43.55 ? 54 GLU B CB 1
ATOM 411 C CG . GLU A 1 56 ? 10.293 11.667 -6.306 1.00 46.17 ? 54 GLU B CG 1
ATOM 412 C CD . GLU A 1 56 ? 10.251 10.158 -6.161 1.00 47.44 ? 54 GLU B CD 1
ATOM 413 O OE1 . GLU A 1 56 ? 9.144 9.584 -6.252 1.00 47.55 ? 54 GLU B OE1 1
ATOM 414 O OE2 . GLU A 1 56 ? 11.325 9.546 -5.967 1.00 48.16 ? 54 GLU B OE2 1
ATOM 415 N N . HIS A 1 57 ? 7.296 15.332 -5.119 1.00 41.24 ? 55 HIS B N 1
ATOM 416 C CA . HIS A 1 57 ? 5.929 15.836 -5.140 1.00 42.00 ? 55 HIS B CA 1
ATOM 417 C C . HIS A 1 57 ? 5.888 17.325 -5.419 1.00 42.66 ? 55 HIS B C 1
ATOM 418 O O . HIS A 1 57 ? 4.866 17.972 -5.204 1.00 42.99 ? 55 HIS B O 1
ATOM 419 C CB . HIS A 1 57 ? 5.266 15.584 -3.787 1.00 40.87 ? 55 HIS B CB 1
ATOM 420 C CG . HIS A 1 57 ? 4.927 14.150 -3.539 1.00 40.05 ? 55 HIS B CG 1
ATOM 421 N ND1 . HIS A 1 57 ? 3.672 13.634 -3.773 1.00 40.33 ? 55 HIS B ND1 1
ATOM 422 C CD2 . HIS A 1 57 ? 5.687 13.115 -3.108 1.00 39.31 ? 55 HIS B CD2 1
ATOM 423 C CE1 . HIS A 1 57 ? 3.673 12.342 -3.498 1.00 38.66 ? 55 HIS B CE1 1
ATOM 424 N NE2 . HIS A 1 57 ? 4.883 12.003 -3.093 1.00 38.56 ? 55 HIS B NE2 1
ATOM 425 N N . GLY A 1 58 ? 6.984 17.877 -5.914 1.00 43.76 ? 56 GLY B N 1
ATOM 426 C CA . GLY A 1 58 ? 6.997 19.305 -6.132 1.00 45.92 ? 56 GLY B CA 1
ATOM 427 C C . GLY A 1 58 ? 7.398 19.838 -4.780 1.00 47.08 ? 56 GLY B C 1
ATOM 428 O O . GLY A 1 58 ? 6.544 20.162 -3.954 1.00 48.14 ? 56 GLY B O 1
ATOM 429 N N . LEU A 1 59 ? 8.700 19.929 -4.545 1.00 48.37 ? 57 LEU B N 1
ATOM 430 C CA . LEU A 1 59 ? 9.171 20.363 -3.246 1.00 49.40 ? 57 LEU B CA 1
ATOM 431 C C . LEU A 1 59 ? 10.043 21.589 -3.121 1.00 50.27 ? 57 LEU B C 1
ATOM 432 O O . LEU A 1 59 ? 10.057 22.510 -3.935 1.00 51.11 ? 57 LEU B O 1
ATOM 433 C CB . LEU A 1 59 ? 9.916 19.209 -2.565 1.00 49.92 ? 57 LEU B CB 1
ATOM 434 C CG . LEU A 1 59 ? 10.494 19.400 -1.154 1.00 50.84 ? 57 LEU B CG 1
ATOM 435 C CD1 . LEU A 1 59 ? 9.364 19.830 -0.233 1.00 50.65 ? 57 LEU B CD1 1
ATOM 436 C CD2 . LEU A 1 59 ? 11.228 18.168 -0.663 1.00 51.31 ? 57 LEU B CD2 1
ATOM 437 N N . ASN A 1 60 ? 10.763 21.519 -2.017 1.00 51.67 ? 58 ASN B N 1
ATOM 438 C CA . ASN A 1 60 ? 11.726 22.441 -1.487 1.00 51.97 ? 58 ASN B CA 1
ATOM 439 C C . ASN A 1 60 ? 12.049 21.808 -0.142 1.00 52.21 ? 58 ASN B C 1
ATOM 440 O O . ASN A 1 60 ? 11.149 21.680 0.686 1.00 52.63 ? 58 ASN B O 1
ATOM 441 C CB . ASN A 1 60 ? 11.109 23.805 -1.193 1.00 51.92 ? 58 ASN B CB 1
ATOM 442 C CG . ASN A 1 60 ? 11.124 24.722 -2.380 1.00 52.65 ? 58 ASN B CG 1
ATOM 443 O OD1 . ASN A 1 60 ? 11.917 24.549 -3.306 1.00 52.31 ? 58 ASN B OD1 1
ATOM 444 N ND2 . ASN A 1 60 ? 10.264 25.732 -2.351 1.00 52.98 ? 58 ASN B ND2 1
ATOM 445 N N . PHE A 1 61 ? 13.283 21.342 0.039 1.00 52.33 ? 59 PHE B N 1
ATOM 446 C CA . PHE A 1 61 ? 13.774 20.828 1.324 1.00 52.09 ? 59 PHE B CA 1
ATOM 447 C C . PHE A 1 61 ? 13.410 19.574 2.131 1.00 52.37 ? 59 PHE B C 1
ATOM 448 O O . PHE A 1 61 ? 12.752 18.635 1.673 1.00 53.06 ? 59 PHE B O 1
ATOM 449 C CB . PHE A 1 61 ? 13.737 21.996 2.315 1.00 51.31 ? 59 PHE B CB 1
ATOM 450 C CG . PHE A 1 61 ? 12.351 22.406 2.737 1.00 49.46 ? 59 PHE B CG 1
ATOM 451 C CD1 . PHE A 1 61 ? 11.915 23.715 2.565 1.00 48.68 ? 59 PHE B CD1 1
ATOM 452 C CD2 . PHE A 1 61 ? 11.474 21.475 3.291 1.00 48.79 ? 59 PHE B CD2 1
ATOM 453 C CE1 . PHE A 1 61 ? 10.627 24.088 2.937 1.00 49.12 ? 59 PHE B CE1 1
ATOM 454 C CE2 . PHE A 1 61 ? 10.185 21.838 3.666 1.00 48.92 ? 59 PHE B CE2 1
ATOM 455 C CZ . PHE A 1 61 ? 9.760 23.151 3.488 1.00 48.76 ? 59 PHE B CZ 1
ATOM 456 N N . GLN A 1 62 ? 13.884 19.645 3.379 1.00 52.06 ? 60 GLN B N 1
ATOM 457 C CA . GLN A 1 62 ? 13.758 18.641 4.429 1.00 51.72 ? 60 GLN B CA 1
ATOM 458 C C . GLN A 1 62 ? 12.359 18.077 4.683 1.00 52.25 ? 60 GLN B C 1
ATOM 459 O O . GLN A 1 62 ? 11.516 18.704 5.320 1.00 53.28 ? 60 GLN B O 1
ATOM 460 C CB . GLN A 1 62 ? 14.365 19.212 5.734 1.00 51.40 ? 60 GLN B CB 1
ATOM 461 C CG . GLN A 1 62 ? 13.394 19.855 6.751 1.00 51.77 ? 60 GLN B CG 1
ATOM 462 C CD . GLN A 1 62 ? 12.874 21.237 6.360 1.00 51.72 ? 60 GLN B CD 1
ATOM 463 O OE1 . GLN A 1 62 ? 11.950 21.761 6.987 1.00 50.93 ? 60 GLN B OE1 1
ATOM 464 N NE2 . GLN A 1 62 ? 13.476 21.837 5.342 1.00 52.55 ? 60 GLN B NE2 1
ATOM 465 N N . TYR A 1 70 ? -5.519 16.058 9.549 1.00 49.89 ? 68 TYR B N 1
ATOM 466 C CA . TYR A 1 70 ? -5.286 17.477 9.330 1.00 49.83 ? 68 TYR B CA 1
ATOM 467 C C . TYR A 1 70 ? -3.831 17.880 9.554 1.00 49.12 ? 68 TYR B C 1
ATOM 468 O O . TYR A 1 70 ? -3.465 18.320 10.645 1.00 49.42 ? 68 TYR B O 1
ATOM 469 C CB . TYR A 1 70 ? -6.204 18.304 10.236 1.00 51.33 ? 68 TYR B CB 1
ATOM 470 C CG . TYR A 1 70 ? -7.296 19.008 9.476 1.00 52.34 ? 68 TYR B CG 1
ATOM 471 C CD1 . TYR A 1 70 ? -8.335 18.294 8.874 1.00 53.06 ? 68 TYR B CD1 1
ATOM 472 C CD2 . TYR A 1 70 ? -7.243 20.385 9.285 1.00 53.11 ? 68 TYR B CD2 1
ATOM 473 C CE1 . TYR A 1 70 ? -9.286 18.943 8.090 1.00 53.78 ? 68 TYR B CE1 1
ATOM 474 C CE2 . TYR A 1 70 ? -8.177 21.040 8.509 1.00 53.65 ? 68 TYR B CE2 1
ATOM 475 C CZ . TYR A 1 70 ? -9.187 20.324 7.912 1.00 54.07 ? 68 TYR B CZ 1
ATOM 476 O OH . TYR A 1 70 ? -10.042 21.021 7.098 1.00 54.26 ? 68 TYR B OH 1
ATOM 477 N N . LYS A 1 71 ? -3.008 17.722 8.520 1.00 48.40 ? 69 LYS B N 1
ATOM 478 C CA . LYS A 1 71 ? -1.594 18.082 8.593 1.00 47.30 ? 69 LYS B CA 1
ATOM 479 C C . LYS A 1 71 ? -0.667 16.990 9.120 1.00 46.92 ? 69 LYS B C 1
ATOM 480 O O . LYS A 1 71 ? 0.534 17.204 9.292 1.00 46.39 ? 69 LYS B O 1
ATOM 481 C CB . LYS A 1 71 ? -1.356 19.098 9.712 1.00 46.76 ? 69 LYS B CB 1
ATOM 482 C CG . LYS A 1 71 ? -0.114 19.952 9.523 1.00 45.32 ? 69 LYS B CG 1
ATOM 483 C CD . LYS A 1 71 ? -0.061 21.083 10.537 1.00 44.84 ? 69 LYS B CD 1
ATOM 484 C CE . LYS A 1 71 ? 1.152 21.972 10.310 1.00 44.86 ? 69 LYS B CE 1
ATOM 485 N NZ . LYS A 1 71 ? 1.066 22.710 9.020 1.00 44.36 ? 69 LYS B NZ 1
ATOM 486 N N . GLU A 1 72 ? -1.240 15.819 9.373 1.00 47.08 ? 70 GLU B N 1
ATOM 487 C CA . GLU A 1 72 ? -0.511 14.679 9.918 1.00 47.01 ? 70 GLU B CA 1
ATOM 488 C C . GLU A 1 72 ? -1.275 13.394 9.573 1.00 45.73 ? 70 GLU B C 1
ATOM 489 O O . GLU A 1 72 ? -1.344 12.444 10.350 1.00 46.86 ? 70 GLU B O 1
ATOM 490 C CB . GLU A 1 72 ? -0.128 14.721 11.400 1.00 48.37 ? 70 GLU B CB 1
ATOM 491 C CG . GLU A 1 72 ? 0.198 13.388 12.042 1.00 50.20 ? 70 GLU B CG 1
ATOM 492 C CD . GLU A 1 72 ? -0.392 13.294 13.425 1.00 51.16 ? 70 GLU B CD 1
ATOM 493 O OE1 . GLU A 1 72 ? -0.508 12.171 13.961 1.00 51.57 ? 70 GLU B OE1 1
ATOM 494 O OE2 . GLU A 1 72 ? -0.739 14.358 13.979 1.00 52.10 ? 70 GLU B OE2 1
ATOM 495 N N . ALA A 1 73 ? -1.893 13.408 8.403 1.00 43.88 ? 71 ALA B N 1
ATOM 496 C CA . ALA A 1 73 ? -2.589 12.253 7.855 1.00 41.05 ? 71 ALA B CA 1
ATOM 497 C C . ALA A 1 73 ? -1.668 12.158 6.654 1.00 38.66 ? 71 ALA B C 1
ATOM 498 O O . ALA A 1 73 ? -1.637 11.178 5.907 1.00 38.95 ? 71 ALA B O 1
ATOM 499 C CB . ALA A 1 73 ? -3.999 12.619 7.431 1.00 40.74 ? 71 ALA B CB 1
ATOM 500 N N . PHE A 1 74 ? -0.916 13.250 6.518 1.00 35.72 ? 72 PHE B N 1
ATOM 501 C CA . PHE A 1 74 ? 0.099 13.449 5.501 1.00 32.86 ? 72 PHE B CA 1
ATOM 502 C C . PHE A 1 74 ? 1.262 12.581 5.945 1.00 29.56 ? 72 PHE B C 1
ATOM 503 O O . PHE A 1 74 ? 2.009 12.049 5.126 1.00 26.67 ? 72 PHE B O 1
ATOM 504 C CB . PHE A 1 74 ? 0.533 14.913 5.482 1.00 34.50 ? 72 PHE B CB 1
ATOM 505 C CG . PHE A 1 74 ? -0.184 15.745 4.463 1.00 37.99 ? 72 PHE B CG 1
ATOM 506 C CD1 . PHE A 1 74 ? 0.050 15.546 3.108 1.00 38.24 ? 72 PHE B CD1 1
ATOM 507 C CD2 . PHE A 1 74 ? -1.092 16.726 4.852 1.00 38.48 ? 72 PHE B CD2 1
ATOM 508 C CE1 . PHE A 1 74 ? -0.607 16.311 2.149 1.00 40.23 ? 72 PHE B CE1 1
ATOM 509 C CE2 . PHE A 1 74 ? -1.756 17.498 3.901 1.00 38.97 ? 72 PHE B CE2 1
ATOM 510 C CZ . PHE A 1 74 ? -1.512 17.289 2.547 1.00 40.10 ? 72 PHE B CZ 1
ATOM 511 N N . ARG A 1 75 ? 1.409 12.460 7.261 1.00 27.56 ? 73 ARG B N 1
ATOM 512 C CA . ARG A 1 75 ? 2.446 11.626 7.849 1.00 26.66 ? 73 ARG B CA 1
ATOM 513 C C . ARG A 1 75 ? 2.211 10.219 7.312 1.00 25.33 ? 73 ARG B C 1
ATOM 514 O O . ARG A 1 75 ? 3.149 9.509 6.950 1.00 23.83 ? 73 ARG B O 1
ATOM 515 C CB . ARG A 1 75 ? 2.326 11.643 9.379 1.00 29.22 ? 73 ARG B CB 1
ATOM 516 C CG . ARG A 1 75 ? 2.855 10.392 10.077 1.00 32.40 ? 73 ARG B CG 1
ATOM 517 C CD . ARG A 1 75 ? 2.690 10.487 11.590 1.00 35.42 ? 73 ARG B CD 1
ATOM 518 N NE . ARG A 1 75 ? 2.737 9.173 12.232 1.00 40.03 ? 73 ARG B NE 1
ATOM 519 C CZ . ARG A 1 75 ? 1.831 8.216 12.042 1.00 40.93 ? 73 ARG B CZ 1
ATOM 520 N NH1 . ARG A 1 75 ? 0.803 8.422 11.229 1.00 42.46 ? 73 ARG B NH1 1
ATOM 521 N NH2 . ARG A 1 75 ? 1.950 7.051 12.661 1.00 41.34 ? 73 ARG B NH2 1
ATOM 522 N N . LYS A 1 76 ? 0.939 9.832 7.253 1.00 24.61 ? 74 LYS B N 1
ATOM 523 C CA . LYS A 1 76 ? 0.552 8.517 6.756 1.00 22.54 ? 74 LYS B CA 1
ATOM 524 C C . LYS A 1 76 ? 0.847 8.417 5.260 1.00 20.77 ? 74 LYS B C 1
ATOM 525 O O . LYS A 1 76 ? 1.259 7.365 4.770 1.00 20.24 ? 74 LYS B O 1
ATOM 526 C CB . LYS A 1 76 ? -0.933 8.289 7.021 1.00 25.24 ? 74 LYS B CB 1
ATOM 527 C CG . LYS A 1 76 ? -1.315 8.475 8.479 1.00 28.47 ? 74 LYS B CG 1
ATOM 528 C CD . LYS A 1 76 ? -1.541 7.153 9.195 1.00 32.40 ? 74 LYS B CD 1
ATOM 529 C CE . LYS A 1 76 ? -2.871 6.524 8.804 1.00 34.87 ? 74 LYS B CE 1
ATOM 530 N NZ . LYS A 1 76 ? -3.688 7.417 7.930 1.00 38.11 ? 74 LYS B NZ 1
ATOM 531 N N . ASP A 1 77 ? 0.624 9.508 4.534 1.00 20.10 ? 75 ASP B N 1
ATOM 532 C CA . ASP A 1 77 ? 0.904 9.534 3.099 1.00 19.84 ? 75 ASP B CA 1
ATOM 533 C C . ASP A 1 77 ? 2.388 9.236 2.900 1.00 18.90 ? 75 ASP B C 1
ATOM 534 O O . ASP A 1 77 ? 2.771 8.396 2.083 1.00 16.75 ? 75 ASP B O 1
ATOM 535 C CB . ASP A 1 77 ? 0.596 10.917 2.517 1.00 22.42 ? 75 ASP B CB 1
ATOM 536 C CG . ASP A 1 77 ? -0.887 11.189 2.397 1.00 25.11 ? 75 ASP B CG 1
ATOM 537 O OD1 . ASP A 1 77 ? -1.691 10.401 2.929 1.00 27.83 ? 75 ASP B OD1 1
ATOM 538 O OD2 . ASP A 1 77 ? -1.246 12.205 1.770 1.00 30.17 ? 75 ASP B OD2 1
ATOM 539 N N . MET A 1 78 ? 3.223 9.945 3.651 1.00 18.56 ? 76 MET B N 1
ATOM 540 C CA . MET A 1 78 ? 4.664 9.757 3.568 1.00 17.63 ? 76 MET B CA 1
ATOM 541 C C . MET A 1 78 ? 5.064 8.326 3.914 1.00 16.85 ? 76 MET B C 1
ATOM 542 O O . MET A 1 78 ? 5.926 7.738 3.259 1.00 14.63 ? 76 MET B O 1
ATOM 543 C CB . MET A 1 78 ? 5.377 10.737 4.500 1.00 20.79 ? 76 MET B CB 1
ATOM 544 C CG . MET A 1 78 ? 5.436 12.156 3.965 1.00 25.36 ? 76 MET B CG 1
ATOM 545 S SD . MET A 1 78 ? 6.359 13.281 5.041 1.00 29.95 ? 76 MET B SD 1
ATOM 546 C CE . MET A 1 78 ? 7.692 12.198 5.606 1.00 26.31 ? 76 MET B CE 1
ATOM 547 N N . ILE A 1 79 ? 4.442 7.762 4.945 1.00 16.15 ? 77 ILE B N 1
ATOM 548 C CA . ILE A 1 79 ? 4.757 6.395 5.337 1.00 17.02 ? 77 ILE B CA 1
ATOM 549 C C . ILE A 1 79 ? 4.407 5.426 4.211 1.00 17.71 ? 77 ILE B C 1
ATOM 550 O O . ILE A 1 79 ? 5.207 4.559 3.867 1.00 16.43 ? 77 ILE B O 1
ATOM 551 C CB . ILE A 1 79 ? 4.002 5.984 6.627 1.00 17.14 ? 77 ILE B CB 1
ATOM 552 C CG1 . ILE A 1 79 ? 4.515 6.812 7.809 1.00 17.02 ? 77 ILE B CG1 1
ATOM 553 C CG2 . ILE A 1 79 ? 4.197 4.493 6.899 1.00 16.25 ? 77 ILE B CG2 1
ATOM 554 C CD1 . ILE A 1 79 ? 3.819 6.518 9.120 1.00 18.77 ? 77 ILE B CD1 1
ATOM 555 N N . ARG A 1 80 ? 3.215 5.575 3.636 1.00 17.33 ? 78 ARG B N 1
ATOM 556 C CA . ARG A 1 80 ? 2.798 4.703 2.541 1.00 17.00 ? 78 ARG B CA 1
ATOM 557 C C . ARG A 1 80 ? 3.739 4.857 1.348 1.00 15.99 ? 78 ARG B C 1
ATOM 558 O O . ARG A 1 80 ? 4.102 3.875 0.694 1.00 14.41 ? 78 ARG B O 1
ATOM 559 C CB . ARG A 1 80 ? 1.364 5.028 2.102 1.00 20.64 ? 78 ARG B CB 1
ATOM 560 C CG . ARG A 1 80 ? 0.295 4.634 3.113 1.00 24.36 ? 78 ARG B CG 1
ATOM 561 C CD . ARG A 1 80 ? -1.103 4.687 2.493 1.00 29.15 ? 78 ARG B CD 1
ATOM 562 N NE . ARG A 1 80 ? -1.567 6.052 2.266 1.00 31.18 ? 78 ARG B NE 1
ATOM 563 C CZ . ARG A 1 80 ? -2.210 6.783 3.171 1.00 32.28 ? 78 ARG B CZ 1
ATOM 564 N NH1 . ARG A 1 80 ? -2.476 6.282 4.369 1.00 34.07 ? 78 ARG B NH1 1
ATOM 565 N NH2 . ARG A 1 80 ? -2.584 8.020 2.880 1.00 32.63 ? 78 ARG B NH2 1
ATOM 566 N N . TRP A 1 81 ? 4.118 6.098 1.065 1.00 14.61 ? 79 TRP B N 1
ATOM 567 C CA . TRP A 1 81 ? 5.019 6.392 -0.042 1.00 14.91 ? 79 TRP B CA 1
ATOM 568 C C . TRP A 1 81 ? 6.386 5.771 0.236 1.00 14.46 ? 79 TRP B C 1
ATOM 569 O O . TRP A 1 81 ? 6.979 5.139 -0.637 1.00 15.77 ? 79 TRP B O 1
ATOM 570 C CB . TRP A 1 81 ? 5.170 7.905 -0.214 1.00 14.51 ? 79 TRP B CB 1
ATOM 571 C CG . TRP A 1 81 ? 6.167 8.287 -1.272 1.00 15.94 ? 79 TRP B CG 1
ATOM 572 C CD1 . TRP A 1 81 ? 5.967 8.307 -2.622 1.00 18.06 ? 79 TRP B CD1 1
ATOM 573 C CD2 . TRP A 1 81 ? 7.535 8.662 -1.062 1.00 16.64 ? 79 TRP B CD2 1
ATOM 574 N NE1 . TRP A 1 81 ? 7.129 8.672 -3.269 1.00 18.90 ? 79 TRP B NE1 1
ATOM 575 C CE2 . TRP A 1 81 ? 8.104 8.896 -2.335 1.00 18.58 ? 79 TRP B CE2 1
ATOM 576 C CE3 . TRP A 1 81 ? 8.334 8.823 0.079 1.00 15.96 ? 79 TRP B CE3 1
ATOM 577 C CZ2 . TRP A 1 81 ? 9.445 9.281 -2.497 1.00 18.96 ? 79 TRP B CZ2 1
ATOM 578 C CZ3 . TRP A 1 81 ? 9.665 9.204 -0.083 1.00 17.24 ? 79 TRP B CZ3 1
ATOM 579 C CH2 . TRP A 1 81 ? 10.204 9.430 -1.364 1.00 16.72 ? 79 TRP B CH2 1
ATOM 580 N N . GLY A 1 82 ? 6.875 5.957 1.459 1.00 15.12 ? 80 GLY B N 1
ATOM 581 C CA . GLY A 1 82 ? 8.171 5.419 1.839 1.00 13.70 ? 80 GLY B CA 1
ATOM 582 C C . GLY A 1 82 ? 8.217 3.903 1.804 1.00 14.37 ? 80 GLY B C 1
ATOM 583 O O . GLY A 1 82 ? 9.242 3.313 1.477 1.00 12.20 ? 80 GLY B O 1
ATOM 584 N N . GLU A 1 83 ? 7.106 3.263 2.155 1.00 14.33 ? 81 GLU B N 1
ATOM 585 C CA . GLU A 1 83 ? 7.053 1.809 2.141 1.00 14.72 ? 81 GLU B CA 1
ATOM 586 C C . GLU A 1 83 ? 7.150 1.278 0.711 1.00 16.30 ? 81 GLU B C 1
ATOM 587 O O . GLU A 1 83 ? 7.795 0.259 0.461 1.00 16.33 ? 81 GLU B O 1
ATOM 588 C CB . GLU A 1 83 ? 5.773 1.324 2.841 1.00 16.82 ? 81 GLU B CB 1
ATOM 589 C CG . GLU A 1 83 ? 5.918 1.327 4.370 1.00 20.58 ? 81 GLU B CG 1
ATOM 590 C CD . GLU A 1 83 ? 4.628 1.027 5.121 1.00 24.17 ? 81 GLU B CD 1
ATOM 591 O OE1 . GLU A 1 83 ? 4.707 0.769 6.342 1.00 24.27 ? 81 GLU B OE1 1
ATOM 592 O OE2 . GLU A 1 83 ? 3.539 1.060 4.510 1.00 26.77 ? 81 GLU B OE2 1
ATOM 593 N N . GLU A 1 84 ? 6.532 1.979 -0.232 1.00 17.04 ? 82 GLU B N 1
ATOM 594 C CA . GLU A 1 84 ? 6.576 1.555 -1.630 1.00 19.60 ? 82 GLU B CA 1
ATOM 595 C C . GLU A 1 84 ? 8.018 1.638 -2.144 1.00 18.19 ? 82 GLU B C 1
ATOM 596 O O . GLU A 1 84 ? 8.486 0.752 -2.862 1.00 17.60 ? 82 GLU B O 1
ATOM 597 C CB . GLU A 1 84 ? 5.652 2.436 -2.479 1.00 22.04 ? 82 GLU B CB 1
ATOM 598 C CG . GLU A 1 84 ? 4.743 1.651 -3.410 1.00 29.92 ? 82 GLU B CG 1
ATOM 599 C CD . GLU A 1 84 ? 3.612 2.495 -3.976 1.00 31.72 ? 82 GLU B CD 1
ATOM 600 O OE1 . GLU A 1 84 ? 3.898 3.476 -4.693 1.00 33.72 ? 82 GLU B OE1 1
ATOM 601 O OE2 . GLU A 1 84 ? 2.436 2.178 -3.698 1.00 35.26 ? 82 GLU B OE2 1
ATOM 602 N N . LYS A 1 85 ? 8.722 2.699 -1.766 1.00 16.20 ? 83 LYS B N 1
ATOM 603 C CA . LYS A 1 85 ? 10.108 2.870 -2.184 1.00 17.18 ? 83 LYS B CA 1
ATOM 604 C C . LYS A 1 85 ? 10.974 1.795 -1.540 1.00 15.99 ? 83 LYS B C 1
ATOM 605 O O . LYS A 1 85 ? 11.777 1.145 -2.203 1.00 14.88 ? 83 LYS B O 1
ATOM 606 C CB . LYS A 1 85 ? 10.637 4.246 -1.759 1.00 18.77 ? 83 LYS B CB 1
ATOM 607 C CG . LYS A 1 85 ? 9.842 5.426 -2.295 1.00 23.26 ? 83 LYS B CG 1
ATOM 608 C CD . LYS A 1 85 ? 9.922 5.535 -3.812 1.00 24.46 ? 83 LYS B CD 1
ATOM 609 C CE . LYS A 1 85 ? 11.299 5.974 -4.283 1.00 23.59 ? 83 LYS B CE 1
ATOM 610 N NZ . LYS A 1 85 ? 11.295 6.241 -5.754 1.00 23.87 ? 83 LYS B NZ 1
ATOM 611 N N . ARG A 1 86 ? 10.784 1.606 -0.237 1.00 15.30 ? 84 ARG B N 1
ATOM 612 C CA . ARG A 1 86 ? 11.559 0.645 0.539 1.00 15.41 ? 84 ARG B CA 1
ATOM 613 C C . ARG A 1 86 ? 11.395 -0.813 0.112 1.00 15.92 ? 84 ARG B C 1
ATOM 614 O O . ARG A 1 86 ? 12.349 -1.588 0.168 1.00 15.26 ? 84 ARG B O 1
ATOM 615 C CB . ARG A 1 86 ? 11.212 0.792 2.026 1.00 14.78 ? 84 ARG B CB 1
ATOM 616 C CG . ARG A 1 86 ? 12.131 0.025 2.958 1.00 16.78 ? 84 ARG B CG 1
ATOM 617 C CD . ARG A 1 86 ? 11.753 0.223 4.428 1.00 18.44 ? 84 ARG B CD 1
ATOM 618 N NE . ARG A 1 86 ? 11.780 1.625 4.847 1.00 21.64 ? 84 ARG B NE 1
ATOM 619 C CZ . ARG A 1 86 ? 10.704 2.403 4.944 1.00 23.59 ? 84 ARG B CZ 1
ATOM 620 N NH1 . ARG A 1 86 ? 9.502 1.922 4.651 1.00 21.79 ? 84 ARG B NH1 1
ATOM 621 N NH2 . ARG A 1 86 ? 10.827 3.659 5.349 1.00 24.18 ? 84 ARG B NH2 1
ATOM 622 N N . GLN A 1 87 ? 10.189 -1.191 -0.303 1.00 16.40 ? 85 GLN B N 1
ATOM 623 C CA . GLN A 1 87 ? 9.932 -2.563 -0.728 1.00 18.66 ? 85 GLN B CA 1
ATOM 624 C C . GLN A 1 87 ? 10.717 -2.963 -1.974 1.00 19.46 ? 85 GLN B C 1
ATOM 625 O O . GLN A 1 87 ? 11.116 -4.118 -2.128 1.00 19.63 ? 85 GLN B O 1
ATOM 626 C CB . GLN A 1 87 ? 8.435 -2.761 -0.973 1.00 22.30 ? 85 GLN B CB 1
ATOM 627 C CG . GLN A 1 87 ? 7.652 -3.027 0.299 1.00 26.88 ? 85 GLN B CG 1
ATOM 628 C CD . GLN A 1 87 ? 6.156 -2.932 0.096 1.00 29.20 ? 85 GLN B CD 1
ATOM 629 O OE1 . GLN A 1 87 ? 5.626 -3.372 -0.924 1.00 32.88 ? 85 GLN B OE1 1
ATOM 630 N NE2 . GLN A 1 87 ? 5.463 -2.365 1.077 1.00 30.03 ? 85 GLN B NE2 1
ATOM 631 N N . ALA A 1 88 ? 10.944 -2.004 -2.860 1.00 19.24 ? 86 ALA B N 1
ATOM 632 C CA . ALA A 1 88 ? 11.682 -2.272 -4.088 1.00 18.99 ? 86 ALA B CA 1
ATOM 633 C C . ALA A 1 88 ? 13.166 -1.949 -3.936 1.00 18.56 ? 86 ALA B C 1
ATOM 634 O O . ALA A 1 88 ? 14.007 -2.473 -4.668 1.00 18.61 ? 86 ALA B O 1
ATOM 635 C CB . ALA A 1 88 ? 11.094 -1.451 -5.225 1.00 19.57 ? 86 ALA B CB 1
ATOM 636 N N . ASP A 1 89 ? 13.481 -1.097 -2.967 1.00 15.72 ? 87 ASP B N 1
ATOM 637 C CA . ASP A 1 89 ? 14.852 -0.650 -2.736 1.00 15.38 ? 87 ASP B CA 1
ATOM 638 C C . ASP A 1 89 ? 15.043 -0.426 -1.236 1.00 14.54 ? 87 ASP B C 1
ATOM 639 O O . ASP A 1 89 ? 14.950 0.698 -0.752 1.00 13.45 ? 87 ASP B O 1
ATOM 640 C CB . ASP A 1 89 ? 15.050 0.653 -3.514 1.00 14.34 ? 87 ASP B CB 1
ATOM 641 C CG . ASP A 1 89 ? 16.473 1.171 -3.474 1.00 17.89 ? 87 ASP B CG 1
ATOM 642 O OD1 . ASP A 1 89 ? 17.365 0.498 -2.911 1.00 17.00 ? 87 ASP B OD1 1
ATOM 643 O OD2 . ASP A 1 89 ? 16.687 2.271 -4.026 1.00 15.57 ? 87 ASP B OD2 1
ATOM 644 N N . PRO A 1 90 ? 15.320 -1.504 -0.489 1.00 15.51 ? 88 PRO B N 1
ATOM 645 C CA . PRO A 1 90 ? 15.527 -1.477 0.964 1.00 14.66 ? 88 PRO B CA 1
ATOM 646 C C . PRO A 1 90 ? 16.471 -0.391 1.469 1.00 15.03 ? 88 PRO B C 1
ATOM 647 O O . PRO A 1 90 ? 16.271 0.152 2.559 1.00 13.92 ? 88 PRO B O 1
ATOM 648 C CB . PRO A 1 90 ? 16.059 -2.876 1.264 1.00 17.79 ? 88 PRO B CB 1
ATOM 649 C CG . PRO A 1 90 ? 15.407 -3.717 0.212 1.00 19.08 ? 88 PRO B CG 1
ATOM 650 C CD . PRO A 1 90 ? 15.532 -2.863 -1.021 1.00 16.19 ? 88 PRO B CD 1
ATOM 651 N N . GLY A 1 91 ? 17.497 -0.075 0.683 1.00 13.25 ? 89 GLY B N 1
ATOM 652 C CA . GLY A 1 91 ? 18.454 0.933 1.102 1.00 13.00 ? 89 GLY B CA 1
ATOM 653 C C . GLY A 1 91 ? 18.178 2.344 0.619 1.00 12.39 ? 89 GLY B C 1
ATOM 654 O O . GLY A 1 91 ? 18.998 3.242 0.829 1.00 10.91 ? 89 GLY B O 1
ATOM 655 N N . PHE A 1 92 ? 17.022 2.556 -0.006 1.00 10.54 ? 90 PHE B N 1
ATOM 656 C CA . PHE A 1 92 ? 16.684 3.875 -0.530 1.00 11.40 ? 90 PHE B CA 1
ATOM 657 C C . PHE A 1 92 ? 16.922 5.013 0.453 1.00 11.65 ? 90 PHE B C 1
ATOM 658 O O . PHE A 1 92 ? 17.470 6.052 0.086 1.00 11.16 ? 90 PHE B O 1
ATOM 659 C CB . PHE A 1 92 ? 15.223 3.918 -0.995 1.00 12.69 ? 90 PHE B CB 1
ATOM 660 C CG . PHE A 1 92 ? 14.851 5.202 -1.686 1.00 12.78 ? 90 PHE B CG 1
ATOM 661 C CD1 . PHE A 1 92 ? 15.157 5.398 -3.032 1.00 13.91 ? 90 PHE B CD1 1
ATOM 662 C CD2 . PHE A 1 92 ? 14.238 6.234 -0.983 1.00 11.74 ? 90 PHE B CD2 1
ATOM 663 C CE1 . PHE A 1 92 ? 14.857 6.612 -3.664 1.00 14.19 ? 90 PHE B CE1 1
ATOM 664 C CE2 . PHE A 1 92 ? 13.938 7.443 -1.602 1.00 12.95 ? 90 PHE B CE2 1
ATOM 665 C CZ . PHE A 1 92 ? 14.248 7.634 -2.945 1.00 15.37 ? 90 PHE B CZ 1
ATOM 666 N N . PHE A 1 93 ? 16.505 4.831 1.703 1.00 11.59 ? 91 PHE B N 1
ATOM 667 C CA . PHE A 1 93 ? 16.691 5.880 2.694 1.00 10.14 ? 91 PHE B CA 1
ATOM 668 C C . PHE A 1 93 ? 18.000 5.710 3.449 1.00 9.64 ? 91 PHE B C 1
ATOM 669 O O . PHE A 1 93 ? 18.623 6.692 3.838 1.00 10.18 ? 91 PHE B O 1
ATOM 670 C CB . PHE A 1 93 ? 15.499 5.904 3.658 1.00 10.39 ? 91 PHE B CB 1
ATOM 671 C CG . PHE A 1 93 ? 14.197 6.195 2.974 1.00 9.05 ? 91 PHE B CG 1
ATOM 672 C CD1 . PHE A 1 93 ? 13.909 7.479 2.525 1.00 9.21 ? 91 PHE B CD1 1
ATOM 673 C CD2 . PHE A 1 93 ? 13.290 5.172 2.717 1.00 11.07 ? 91 PHE B CD2 1
ATOM 674 C CE1 . PHE A 1 93 ? 12.729 7.744 1.819 1.00 12.01 ? 91 PHE B CE1 1
ATOM 675 C CE2 . PHE A 1 93 ? 12.110 5.424 2.014 1.00 10.47 ? 91 PHE B CE2 1
ATOM 676 C CZ . PHE A 1 93 ? 11.832 6.710 1.565 1.00 11.76 ? 91 PHE B CZ 1
ATOM 677 N N . CYS A 1 94 ? 18.426 4.464 3.636 1.00 11.01 ? 92 CYS B N 1
ATOM 678 C CA . CYS A 1 94 ? 19.675 4.196 4.345 1.00 11.00 ? 92 CYS B CA 1
ATOM 679 C C . CYS A 1 94 ? 20.870 4.864 3.656 1.00 11.68 ? 92 CYS B C 1
ATOM 680 O O . CYS A 1 94 ? 21.702 5.480 4.319 1.00 11.03 ? 92 CYS B O 1
ATOM 681 C CB . CYS A 1 94 ? 19.919 2.688 4.452 1.00 11.10 ? 92 CYS B CB 1
ATOM 682 S SG . CYS A 1 94 ? 18.777 1.798 5.538 1.00 11.94 ? 92 CYS B SG 1
ATOM 683 N N . ARG A 1 95 ? 20.939 4.748 2.330 1.00 12.75 ? 93 ARG B N 1
ATOM 684 C CA . ARG A 1 95 ? 22.024 5.345 1.542 1.00 13.05 ? 93 ARG B CA 1
ATOM 685 C C . ARG A 1 95 ? 22.116 6.852 1.728 1.00 13.78 ? 93 ARG B C 1
ATOM 686 O O . ARG A 1 95 ? 23.202 7.436 1.660 1.00 15.05 ? 93 ARG B O 1
ATOM 687 C CB . ARG A 1 95 ? 21.826 5.079 0.043 1.00 15.28 ? 93 ARG B CB 1
ATOM 688 C CG . ARG A 1 95 ? 21.995 3.648 -0.409 1.00 15.98 ? 93 ARG B CG 1
ATOM 689 C CD . ARG A 1 95 ? 22.121 3.585 -1.932 1.00 14.73 ? 93 ARG B CD 1
ATOM 690 N NE . ARG A 1 95 ? 20.959 4.140 -2.621 1.00 12.64 ? 93 ARG B NE 1
ATOM 691 C CZ . ARG A 1 95 ? 19.826 3.475 -2.835 1.00 13.34 ? 93 ARG B CZ 1
ATOM 692 N NH1 . ARG A 1 95 ? 19.701 2.221 -2.421 1.00 11.23 ? 93 ARG B NH1 1
ATOM 693 N NH2 . ARG A 1 95 ? 18.810 4.068 -3.447 1.00 14.11 ? 93 ARG B NH2 1
ATOM 694 N N . LYS A 1 96 ? 20.969 7.481 1.946 1.00 10.87 ? 94 LYS B N 1
ATOM 695 C CA . LYS A 1 96 ? 20.905 8.921 2.108 1.00 11.41 ? 94 LYS B CA 1
ATOM 696 C C . LYS A 1 96 ? 21.331 9.452 3.473 1.00 11.68 ? 94 LYS B C 1
ATOM 697 O O . LYS A 1 96 ? 21.836 10.566 3.559 1.00 13.59 ? 94 LYS B O 1
ATOM 698 C CB . LYS A 1 96 ? 19.495 9.409 1.748 1.00 11.32 ? 94 LYS B CB 1
ATOM 699 C CG . LYS A 1 96 ? 19.169 9.201 0.267 1.00 9.83 ? 94 LYS B CG 1
ATOM 700 C CD . LYS A 1 96 ? 17.719 9.510 -0.074 1.00 10.61 ? 94 LYS B CD 1
ATOM 701 C CE . LYS A 1 96 ? 17.461 9.307 -1.574 1.00 10.95 ? 94 LYS B CE 1
ATOM 702 N NZ . LYS A 1 96 ? 17.879 7.958 -2.056 1.00 13.12 ? 94 LYS B NZ 1
ATOM 703 N N . ILE A 1 97 ? 21.157 8.672 4.536 1.00 10.24 ? 95 ILE B N 1
ATOM 704 C CA . ILE A 1 97 ? 21.560 9.152 5.855 1.00 12.05 ? 95 ILE B CA 1
ATOM 705 C C . ILE A 1 97 ? 23.056 8.986 6.132 1.00 12.06 ? 95 ILE B C 1
ATOM 706 O O . ILE A 1 97 ? 23.608 9.691 6.968 1.00 12.09 ? 95 ILE B O 1
ATOM 707 C CB . ILE A 1 97 ? 20.781 8.451 7.011 1.00 13.28 ? 95 ILE B CB 1
ATOM 708 C CG1 . ILE A 1 97 ? 21.107 6.960 7.050 1.00 13.29 ? 95 ILE B CG1 1
ATOM 709 C CG2 . ILE A 1 97 ? 19.286 8.671 6.848 1.00 14.67 ? 95 ILE B CG2 1
ATOM 710 C CD1 . ILE A 1 97 ? 20.461 6.237 8.231 1.00 14.60 ? 95 ILE B CD1 1
ATOM 711 N N . VAL A 1 98 ? 23.709 8.064 5.433 1.00 13.37 ? 96 VAL B N 1
ATOM 712 C CA . VAL A 1 98 ? 25.135 7.827 5.656 1.00 14.28 ? 96 VAL B CA 1
ATOM 713 C C . VAL A 1 98 ? 26.056 8.687 4.794 1.00 15.99 ? 96 VAL B C 1
ATOM 714 O O . VAL A 1 98 ? 27.276 8.657 4.962 1.00 15.52 ? 96 VAL B O 1
ATOM 715 C CB . VAL A 1 98 ? 25.497 6.345 5.411 1.00 13.47 ? 96 VAL B CB 1
ATOM 716 C CG1 . VAL A 1 98 ? 24.597 5.446 6.247 1.00 14.14 ? 96 VAL B CG1 1
ATOM 717 C CG2 . VAL A 1 98 ? 25.362 6.005 3.937 1.00 15.83 ? 96 VAL B CG2 1
ATOM 718 N N . GLU A 1 99 ? 25.476 9.458 3.881 1.00 15.66 ? 97 GLU B N 1
ATOM 719 C CA . GLU A 1 99 ? 26.267 10.293 2.982 1.00 16.71 ? 97 GLU B CA 1
ATOM 720 C C . GLU A 1 99 ? 26.991 11.442 3.684 1.00 16.41 ? 97 GLU B C 1
ATOM 721 O O . GLU A 1 99 ? 26.387 12.223 4.420 1.00 16.49 ? 97 GLU B O 1
ATOM 722 C CB . GLU A 1 99 ? 25.365 10.843 1.865 1.00 17.36 ? 97 GLU B CB 1
ATOM 723 C CG . GLU A 1 99 ? 24.337 11.873 2.326 1.00 20.98 ? 97 GLU B CG 1
ATOM 724 C CD . GLU A 1 99 ? 24.835 13.303 2.195 1.00 21.49 ? 97 GLU B CD 1
ATOM 725 O OE1 . GLU A 1 99 ? 24.206 14.213 2.776 1.00 24.39 ? 97 GLU B OE1 1
ATOM 726 O OE2 . GLU A 1 99 ? 25.847 13.524 1.496 1.00 24.57 ? 97 GLU B OE2 1
ATOM 727 N N . GLY A 1 100 ? 28.300 11.527 3.464 1.00 16.23 ? 98 GLY B N 1
ATOM 728 C CA . GLY A 1 100 ? 29.082 12.598 4.056 1.00 16.14 ? 98 GLY B CA 1
ATOM 729 C C . GLY A 1 100 ? 29.173 12.638 5.569 1.00 18.24 ? 98 GLY B C 1
ATOM 730 O O . GLY A 1 100 ? 29.328 13.712 6.145 1.00 18.25 ? 98 GLY B O 1
ATOM 731 N N . ILE A 1 101 ? 29.077 11.485 6.224 1.00 18.10 ? 99 ILE B N 1
ATOM 732 C CA . ILE A 1 101 ? 29.182 11.450 7.681 1.00 17.95 ? 99 ILE B CA 1
ATOM 733 C C . ILE A 1 101 ? 30.607 11.025 8.012 1.00 18.35 ? 99 ILE B C 1
ATOM 734 O O . ILE A 1 101 ? 30.984 9.873 7.804 1.00 20.19 ? 99 ILE B O 1
ATOM 735 C CB . ILE A 1 101 ? 28.186 10.447 8.305 1.00 17.37 ? 99 ILE B CB 1
ATOM 736 C CG1 . ILE A 1 101 ? 26.756 10.794 7.871 1.00 16.28 ? 99 ILE B CG1 1
ATOM 737 C CG2 . ILE A 1 101 ? 28.303 10.475 9.828 1.00 14.94 ? 99 ILE B CG2 1
ATOM 738 C CD1 . ILE A 1 101 ? 26.331 12.210 8.197 1.00 19.17 ? 99 ILE B CD1 1
ATOM 739 N N . SER A 1 102 ? 31.394 11.963 8.524 1.00 17.26 ? 100 SER B N 1
ATOM 740 C CA . SER A 1 102 ? 32.788 11.685 8.846 1.00 19.15 ? 100 SER B CA 1
ATOM 741 C C . SER A 1 102 ? 33.067 11.245 10.280 1.00 18.16 ? 100 SER B C 1
ATOM 742 O O . SER A 1 102 ? 34.198 10.887 10.598 1.00 17.83 ? 100 SER B O 1
ATOM 743 C CB . SER A 1 102 ? 33.645 12.907 8.502 1.00 19.56 ? 100 SER B CB 1
ATOM 744 O OG . SER A 1 102 ? 33.114 14.085 9.083 1.00 23.60 ? 100 SER B OG 1
ATOM 745 N N . GLN A 1 103 ? 32.056 11.266 11.146 1.00 16.18 ? 101 GLN B N 1
ATOM 746 C CA . GLN A 1 103 ? 32.265 10.839 12.530 1.00 16.03 ? 101 GLN B CA 1
ATOM 747 C C . GLN A 1 103 ? 32.519 9.335 12.585 1.00 14.73 ? 101 GLN B C 1
ATOM 748 O O . GLN A 1 103 ? 31.969 8.576 11.782 1.00 16.44 ? 101 GLN B O 1
ATOM 749 C CB . GLN A 1 103 ? 31.054 11.193 13.409 1.00 15.81 ? 101 GLN B CB 1
ATOM 750 C CG . GLN A 1 103 ? 30.937 12.678 13.750 1.00 16.97 ? 101 GLN B CG 1
ATOM 751 C CD . GLN A 1 103 ? 30.085 13.461 12.764 1.00 18.12 ? 101 GLN B CD 1
ATOM 752 O OE1 . GLN A 1 103 ? 29.920 13.066 11.607 1.00 15.84 ? 101 GLN B OE1 1
ATOM 753 N NE2 . GLN A 1 103 ? 29.545 14.587 13.220 1.00 19.67 ? 101 GLN B NE2 1
ATOM 754 N N . PRO A 1 104 ? 33.366 8.883 13.528 1.00 12.83 ? 102 PRO B N 1
ATOM 755 C CA . PRO A 1 104 ? 33.686 7.459 13.677 1.00 11.97 ? 102 PRO B CA 1
ATOM 756 C C . PRO A 1 104 ? 32.536 6.626 14.249 1.00 10.80 ? 102 PRO B C 1
ATOM 757 O O . PRO A 1 104 ? 32.476 5.416 14.030 1.00 11.21 ? 102 PRO B O 1
ATOM 758 C CB . PRO A 1 104 ? 34.910 7.474 14.593 1.00 12.83 ? 102 PRO B CB 1
ATOM 759 C CG . PRO A 1 104 ? 34.671 8.694 15.443 1.00 13.91 ? 102 PRO B CG 1
ATOM 760 C CD . PRO A 1 104 ? 34.221 9.702 14.408 1.00 12.99 ? 102 PRO B CD 1
ATOM 761 N N . ILE A 1 105 ? 31.640 7.270 14.990 1.00 10.62 ? 103 ILE B N 1
ATOM 762 C CA . ILE A 1 105 ? 30.496 6.564 15.560 1.00 10.89 ? 103 ILE B CA 1
ATOM 763 C C . ILE A 1 105 ? 29.200 7.064 14.929 1.00 10.11 ? 103 ILE B C 1
ATOM 764 O O . ILE A 1 105 ? 28.925 8.263 14.940 1.00 12.25 ? 103 ILE B O 1
ATOM 765 C CB . ILE A 1 105 ? 30.361 6.780 17.086 1.00 11.72 ? 103 ILE B CB 1
ATOM 766 C CG1 . ILE A 1 105 ? 31.661 6.414 17.807 1.00 11.09 ? 103 ILE B CG1 1
ATOM 767 C CG2 . ILE A 1 105 ? 29.209 5.924 17.614 1.00 11.37 ? 103 ILE B CG2 1
ATOM 768 C CD1 . ILE A 1 105 ? 32.067 4.969 17.657 1.00 13.27 ? 103 ILE B CD1 1
ATOM 769 N N . TRP A 1 106 ? 28.410 6.144 14.380 1.00 11.26 ? 104 TRP B N 1
ATOM 770 C CA . TRP A 1 106 ? 27.132 6.505 13.773 1.00 12.64 ? 104 TRP B CA 1
ATOM 771 C C . TRP A 1 106 ? 26.009 5.933 14.618 1.00 12.14 ? 104 TRP B C 1
ATOM 772 O O . TRP A 1 106 ? 26.009 4.748 14.939 1.00 11.55 ? 104 TRP B O 1
ATOM 773 C CB . TRP A 1 106 ? 26.984 5.922 12.364 1.00 11.82 ? 104 TRP B CB 1
ATOM 774 C CG . TRP A 1 106 ? 27.930 6.436 11.337 1.00 14.11 ? 104 TRP B CG 1
ATOM 775 C CD1 . TRP A 1 106 ? 28.910 7.370 11.507 1.00 14.84 ? 104 TRP B CD1 1
ATOM 776 C CD2 . TRP A 1 106 ? 28.007 6.016 9.971 1.00 14.97 ? 104 TRP B CD2 1
ATOM 777 N NE1 . TRP A 1 106 ? 29.595 7.557 10.329 1.00 15.14 ? 104 TRP B NE1 1
ATOM 778 C CE2 . TRP A 1 106 ? 29.059 6.738 9.367 1.00 15.39 ? 104 TRP B CE2 1
ATOM 779 C CE3 . TRP A 1 106 ? 27.285 5.096 9.193 1.00 15.05 ? 104 TRP B CE3 1
ATOM 780 C CZ2 . TRP A 1 106 ? 29.414 6.571 8.025 1.00 15.90 ? 104 TRP B CZ2 1
ATOM 781 C CZ3 . TRP A 1 106 ? 27.635 4.927 7.860 1.00 15.52 ? 104 TRP B CZ3 1
ATOM 782 C CH2 . TRP A 1 106 ? 28.692 5.665 7.288 1.00 14.48 ? 104 TRP B CH2 1
ATOM 783 N N . LEU A 1 107 ? 25.050 6.777 14.977 1.00 12.15 ? 105 LEU B N 1
ATOM 784 C CA . LEU A 1 107 ? 23.908 6.324 15.756 1.00 13.10 ? 105 LEU B CA 1
ATOM 785 C C . LEU A 1 107 ? 22.651 6.508 14.919 1.00 9.76 ? 105 LEU B C 1
ATOM 786 O O . LEU A 1 107 ? 22.150 7.619 14.802 1.00 9.83 ? 105 LEU B O 1
ATOM 787 C CB . LEU A 1 107 ? 23.774 7.138 17.048 1.00 16.57 ? 105 LEU B CB 1
ATOM 788 C CG . LEU A 1 107 ? 24.274 6.541 18.364 1.00 23.01 ? 105 LEU B CG 1
ATOM 789 C CD1 . LEU A 1 107 ? 25.747 6.201 18.267 1.00 23.93 ? 105 LEU B CD1 1
ATOM 790 C CD2 . LEU A 1 107 ? 24.020 7.534 19.491 1.00 23.00 ? 105 LEU B CD2 1
ATOM 791 N N . VAL A 1 108 ? 22.164 5.432 14.308 1.00 10.70 ? 106 VAL B N 1
ATOM 792 C CA . VAL A 1 108 ? 20.940 5.516 13.514 1.00 10.03 ? 106 VAL B CA 1
ATOM 793 C C . VAL A 1 108 ? 19.857 5.369 14.561 1.00 10.61 ? 106 VAL B C 1
ATOM 794 O O . VAL A 1 108 ? 19.655 4.292 15.111 1.00 10.69 ? 106 VAL B O 1
ATOM 795 C CB . VAL A 1 108 ? 20.847 4.381 12.482 1.00 11.68 ? 106 VAL B CB 1
ATOM 796 C CG1 . VAL A 1 108 ? 19.568 4.528 11.660 1.00 11.11 ? 106 VAL B CG1 1
ATOM 797 C CG2 . VAL A 1 108 ? 22.072 4.417 11.575 1.00 8.65 ? 106 VAL B CG2 1
ATOM 798 N N . SER A 1 109 ? 19.160 6.461 14.833 1.00 12.53 ? 107 SER B N 1
ATOM 799 C CA . SER A 1 109 ? 18.159 6.469 15.889 1.00 12.14 ? 107 SER B CA 1
ATOM 800 C C . SER A 1 109 ? 16.789 5.886 15.593 1.00 12.27 ? 107 SER B C 1
ATOM 801 O O . SER A 1 109 ? 16.059 5.558 16.530 1.00 11.57 ? 107 SER B O 1
ATOM 802 C CB . SER A 1 109 ? 17.968 7.897 16.397 1.00 14.85 ? 107 SER B CB 1
ATOM 803 O OG . SER A 1 109 ? 17.302 8.688 15.424 1.00 14.29 ? 107 SER B OG 1
ATOM 804 N N . ASP A 1 110 ? 16.440 5.725 14.319 1.00 10.42 ? 108 ASP B N 1
ATOM 805 C CA . ASP A 1 110 ? 15.101 5.241 14.003 1.00 9.74 ? 108 ASP B CA 1
ATOM 806 C C . ASP A 1 110 ? 14.897 4.096 13.020 1.00 10.31 ? 108 ASP B C 1
ATOM 807 O O . ASP A 1 110 ? 14.050 4.202 12.126 1.00 11.44 ? 108 ASP B O 1
ATOM 808 C CB . ASP A 1 110 ? 14.242 6.430 13.562 1.00 12.44 ? 108 ASP B CB 1
ATOM 809 C CG . ASP A 1 110 ? 14.761 7.087 12.287 1.00 13.88 ? 108 ASP B CG 1
ATOM 810 O OD1 . ASP A 1 110 ? 15.900 6.779 11.874 1.00 11.91 ? 108 ASP B OD1 1
ATOM 811 O OD2 . ASP A 1 110 ? 14.031 7.918 11.703 1.00 13.41 ? 108 ASP B OD2 1
ATOM 812 N N . THR A 1 111 ? 15.649 3.006 13.153 1.00 8.48 ? 109 THR B N 1
ATOM 813 C CA . THR A 1 111 ? 15.390 1.877 12.263 1.00 9.72 ? 109 THR B CA 1
ATOM 814 C C . THR A 1 111 ? 14.031 1.375 12.752 1.00 10.02 ? 109 THR B C 1
ATOM 815 O O . THR A 1 111 ? 13.733 1.448 13.946 1.00 9.78 ? 109 THR B O 1
ATOM 816 C CB . THR A 1 111 ? 16.457 0.761 12.376 1.00 11.48 ? 109 THR B CB 1
ATOM 817 O OG1 . THR A 1 111 ? 16.513 0.254 13.715 1.00 11.23 ? 109 THR B OG1 1
ATOM 818 C CG2 . THR A 1 111 ? 17.815 1.306 11.986 1.00 9.58 ? 109 THR B CG2 1
ATOM 819 N N . ARG A 1 112 ? 13.202 0.891 11.836 1.00 9.91 ? 110 ARG B N 1
ATOM 820 C CA . ARG A 1 112 ? 11.860 0.435 12.195 1.00 10.82 ? 110 ARG B CA 1
ATOM 821 C C . ARG A 1 112 ? 11.477 -0.900 11.590 1.00 12.42 ? 110 ARG B C 1
ATOM 822 O O . ARG A 1 112 ? 10.528 -1.544 12.042 1.00 10.21 ? 110 ARG B O 1
ATOM 823 C CB . ARG A 1 112 ? 10.831 1.473 11.747 1.00 12.27 ? 110 ARG B CB 1
ATOM 824 C CG . ARG A 1 112 ? 10.806 2.757 12.569 1.00 11.85 ? 110 ARG B CG 1
ATOM 825 C CD . ARG A 1 112 ? 9.919 3.781 11.887 1.00 12.54 ? 110 ARG B CD 1
ATOM 826 N NE . ARG A 1 112 ? 9.849 5.054 12.601 1.00 12.76 ? 110 ARG B NE 1
ATOM 827 C CZ . ARG A 1 112 ? 9.121 5.268 13.694 1.00 14.53 ? 110 ARG B CZ 1
ATOM 828 N NH1 . ARG A 1 112 ? 8.390 4.291 14.214 1.00 14.46 ? 110 ARG B NH1 1
ATOM 829 N NH2 . ARG A 1 112 ? 9.114 6.467 14.259 1.00 14.65 ? 110 ARG B NH2 1
ATOM 830 N N . ARG A 1 113 ? 12.214 -1.315 10.567 1.00 11.40 ? 111 ARG B N 1
ATOM 831 C CA . ARG A 1 113 ? 11.910 -2.560 9.883 1.00 11.03 ? 111 ARG B CA 1
ATOM 832 C C . ARG A 1 113 ? 13.112 -3.489 9.798 1.00 10.41 ? 111 ARG B C 1
ATOM 833 O O . ARG A 1 113 ? 14.258 -3.056 9.919 1.00 10.74 ? 111 ARG B O 1
ATOM 834 C CB . ARG A 1 113 ? 11.371 -2.237 8.484 1.00 13.22 ? 111 ARG B CB 1
ATOM 835 C CG . ARG A 1 113 ? 10.119 -1.354 8.515 1.00 16.46 ? 111 ARG B CG 1
ATOM 836 C CD . ARG A 1 113 ? 9.650 -0.956 7.123 1.00 19.04 ? 111 ARG B CD 1
ATOM 837 N NE . ARG A 1 113 ? 8.370 -0.248 7.162 1.00 20.20 ? 111 ARG B NE 1
ATOM 838 C CZ . ARG A 1 113 ? 8.199 0.993 7.615 1.00 21.54 ? 111 ARG B CZ 1
ATOM 839 N NH1 . ARG A 1 113 ? 9.227 1.697 8.072 1.00 19.24 ? 111 ARG B NH1 1
ATOM 840 N NH2 . ARG A 1 113 ? 6.984 1.529 7.630 1.00 21.70 ? 111 ARG B NH2 1
ATOM 841 N N . VAL A 1 114 ? 12.848 -4.774 9.600 1.00 9.94 ? 112 VAL B N 1
ATOM 842 C CA . VAL A 1 114 ? 13.919 -5.752 9.511 1.00 10.43 ? 112 VAL B CA 1
ATOM 843 C C . VAL A 1 114 ? 14.858 -5.420 8.350 1.00 11.72 ? 112 VAL B C 1
ATOM 844 O O . VAL A 1 114 ? 16.070 -5.608 8.457 1.00 10.94 ? 112 VAL B O 1
ATOM 845 C CB . VAL A 1 114 ? 13.358 -7.178 9.336 1.00 11.72 ? 112 VAL B CB 1
ATOM 846 C CG1 . VAL A 1 114 ? 14.494 -8.166 9.088 1.00 12.78 ? 112 VAL B CG1 1
ATOM 847 C CG2 . VAL A 1 114 ? 12.588 -7.583 10.590 1.00 12.87 ? 112 VAL B CG2 1
ATOM 848 N N . SER A 1 115 ? 14.298 -4.907 7.257 1.00 11.15 ? 113 SER B N 1
ATOM 849 C CA . SER A 1 115 ? 15.108 -4.554 6.097 1.00 11.74 ? 113 SER B CA 1
ATOM 850 C C . SER A 1 115 ? 16.158 -3.487 6.418 1.00 11.19 ? 113 SER B C 1
ATOM 851 O O . SER A 1 115 ? 17.231 -3.486 5.816 1.00 10.65 ? 113 SER B O 1
ATOM 852 C CB . SER A 1 115 ? 14.221 -4.095 4.928 1.00 10.83 ? 113 SER B CB 1
ATOM 853 O OG . SER A 1 115 ? 13.454 -2.956 5.263 1.00 11.31 ? 113 SER B OG 1
ATOM 854 N N . ASP A 1 116 ? 15.860 -2.585 7.356 1.00 8.52 ? 114 ASP B N 1
ATOM 855 C CA . ASP A 1 116 ? 16.822 -1.547 7.738 1.00 9.54 ? 114 ASP B CA 1
ATOM 856 C C . ASP A 1 116 ? 18.030 -2.209 8.387 1.00 10.95 ? 114 ASP B C 1
ATOM 857 O O . ASP A 1 116 ? 19.174 -1.833 8.132 1.00 9.17 ? 114 ASP B O 1
ATOM 858 C CB . ASP A 1 116 ? 16.234 -0.560 8.760 1.00 10.49 ? 114 ASP B CB 1
ATOM 859 C CG . ASP A 1 116 ? 15.073 0.243 8.214 1.00 12.04 ? 114 ASP B CG 1
ATOM 860 O OD1 . ASP A 1 116 ? 15.067 0.564 7.006 1.00 12.08 ? 114 ASP B OD1 1
ATOM 861 O OD2 . ASP A 1 116 ? 14.172 0.573 9.014 1.00 11.55 ? 114 ASP B OD2 1
ATOM 862 N N . ILE A 1 117 ? 17.768 -3.181 9.256 1.00 9.81 ? 115 ILE B N 1
ATOM 863 C CA . ILE A 1 117 ? 18.853 -3.874 9.935 1.00 10.81 ? 115 ILE B CA 1
ATOM 864 C C . ILE A 1 117 ? 19.639 -4.731 8.938 1.00 12.31 ? 115 ILE B C 1
ATOM 865 O O . ILE A 1 117 ? 20.874 -4.720 8.929 1.00 12.01 ? 115 ILE B O 1
ATOM 866 C CB . ILE A 1 117 ? 18.313 -4.759 11.088 1.00 8.84 ? 115 ILE B CB 1
ATOM 867 C CG1 . ILE A 1 117 ? 17.736 -3.863 12.191 1.00 9.82 ? 115 ILE B CG1 1
ATOM 868 C CG2 . ILE A 1 117 ? 19.422 -5.659 11.630 1.00 11.23 ? 115 ILE B CG2 1
ATOM 869 C CD1 . ILE A 1 117 ? 17.209 -4.624 13.404 1.00 11.52 ? 115 ILE B CD1 1
ATOM 870 N N . GLN A 1 118 ? 18.924 -5.455 8.086 1.00 12.27 ? 116 GLN B N 1
ATOM 871 C CA . GLN A 1 118 ? 19.576 -6.311 7.099 1.00 14.02 ? 116 GLN B CA 1
ATOM 872 C C . GLN A 1 118 ? 20.454 -5.513 6.141 1.00 13.02 ? 116 GLN B C 1
ATOM 873 O O . GLN A 1 118 ? 21.550 -5.951 5.789 1.00 12.90 ? 116 GLN B O 1
ATOM 874 C CB . GLN A 1 118 ? 18.533 -7.097 6.305 1.00 14.86 ? 116 GLN B CB 1
ATOM 875 C CG . GLN A 1 118 ? 17.711 -8.047 7.150 1.00 20.12 ? 116 GLN B CG 1
ATOM 876 C CD . GLN A 1 118 ? 16.708 -8.830 6.334 1.00 20.60 ? 116 GLN B CD 1
ATOM 877 O OE1 . GLN A 1 118 ? 15.954 -8.261 5.543 1.00 25.95 ? 116 GLN B OE1 1
ATOM 878 N NE2 . GLN A 1 118 ? 16.685 -10.142 6.526 1.00 23.31 ? 116 GLN B NE2 1
ATOM 879 N N . TRP A 1 119 ? 19.979 -4.344 5.720 1.00 12.15 ? 117 TRP B N 1
ATOM 880 C CA . TRP A 1 119 ? 20.764 -3.514 4.807 1.00 11.02 ? 117 TRP B CA 1
ATOM 881 C C . TRP A 1 119 ? 22.066 -3.063 5.472 1.00 10.80 ? 117 TRP B C 1
ATOM 882 O O . TRP A 1 119 ? 23.147 -3.165 4.886 1.00 10.40 ? 117 TRP B O 1
ATOM 883 C CB . TRP A 1 119 ? 19.974 -2.276 4.372 1.00 11.03 ? 117 TRP B CB 1
ATOM 884 C CG . TRP A 1 119 ? 20.684 -1.476 3.304 1.00 10.03 ? 117 TRP B CG 1
ATOM 885 C CD1 . TRP A 1 119 ? 20.580 -1.645 1.951 1.00 12.03 ? 117 TRP B CD1 1
ATOM 886 C CD2 . TRP A 1 119 ? 21.640 -0.423 3.503 1.00 11.82 ? 117 TRP B CD2 1
ATOM 887 N NE1 . TRP A 1 119 ? 21.415 -0.765 1.296 1.00 11.63 ? 117 TRP B NE1 1
ATOM 888 C CE2 . TRP A 1 119 ? 22.077 -0.005 2.224 1.00 11.36 ? 117 TRP B CE2 1
ATOM 889 C CE3 . TRP A 1 119 ? 22.178 0.202 4.636 1.00 10.26 ? 117 TRP B CE3 1
ATOM 890 C CZ2 . TRP A 1 119 ? 23.021 1.014 2.046 1.00 11.96 ? 117 TRP B CZ2 1
ATOM 891 C CZ3 . TRP A 1 119 ? 23.120 1.216 4.461 1.00 10.80 ? 117 TRP B CZ3 1
ATOM 892 C CH2 . TRP A 1 119 ? 23.533 1.609 3.171 1.00 12.14 ? 117 TRP B CH2 1
ATOM 893 N N . PHE A 1 120 ? 21.970 -2.554 6.695 1.00 10.56 ? 118 PHE B N 1
ATOM 894 C CA . PHE A 1 120 ? 23.164 -2.096 7.395 1.00 10.26 ? 118 PHE B CA 1
ATOM 895 C C . PHE A 1 120 ? 24.129 -3.230 7.727 1.00 12.20 ? 118 PHE B C 1
ATOM 896 O O . PHE A 1 120 ? 25.346 -3.055 7.655 1.00 10.04 ? 118 PHE B O 1
ATOM 897 C CB . PHE A 1 120 ? 22.774 -1.336 8.669 1.00 9.10 ? 118 PHE B CB 1
ATOM 898 C CG . PHE A 1 120 ? 22.650 0.147 8.466 1.00 8.91 ? 118 PHE B CG 1
ATOM 899 C CD1 . PHE A 1 120 ? 23.787 0.953 8.399 1.00 9.72 ? 118 PHE B CD1 1
ATOM 900 C CD2 . PHE A 1 120 ? 21.401 0.737 8.313 1.00 8.42 ? 118 PHE B CD2 1
ATOM 901 C CE1 . PHE A 1 120 ? 23.674 2.326 8.183 1.00 8.53 ? 118 PHE B CE1 1
ATOM 902 C CE2 . PHE A 1 120 ? 21.277 2.110 8.096 1.00 7.76 ? 118 PHE B CE2 1
ATOM 903 C CZ . PHE A 1 120 ? 22.411 2.906 8.031 1.00 8.21 ? 118 PHE B CZ 1
ATOM 904 N N . ARG A 1 121 ? 23.600 -4.395 8.089 1.00 12.35 ? 119 ARG B N 1
ATOM 905 C CA . ARG A 1 121 ? 24.474 -5.521 8.404 1.00 14.84 ? 119 ARG B CA 1
ATOM 906 C C . ARG A 1 121 ? 25.208 -6.019 7.158 1.00 16.74 ? 119 ARG B C 1
ATOM 907 O O . ARG A 1 121 ? 26.331 -6.513 7.245 1.00 15.99 ? 119 ARG B O 1
ATOM 908 C CB . ARG A 1 121 ? 23.676 -6.661 9.051 1.00 16.90 ? 119 ARG B CB 1
ATOM 909 C CG . ARG A 1 121 ? 23.385 -6.411 10.524 1.00 18.06 ? 119 ARG B CG 1
ATOM 910 C CD . ARG A 1 121 ? 22.659 -7.562 11.199 1.00 18.82 ? 119 ARG B CD 1
ATOM 911 N NE . ARG A 1 121 ? 22.630 -7.372 12.649 1.00 20.91 ? 119 ARG B NE 1
ATOM 912 C CZ . ARG A 1 121 ? 21.906 -8.104 13.492 1.00 22.56 ? 119 ARG B CZ 1
ATOM 913 N NH1 . ARG A 1 121 ? 21.139 -9.083 13.035 1.00 21.37 ? 119 ARG B NH1 1
ATOM 914 N NH2 . ARG A 1 121 ? 21.955 -7.858 14.795 1.00 21.89 ? 119 ARG B NH2 1
ATOM 915 N N . GLU A 1 122 ? 24.585 -5.876 5.995 1.00 14.98 ? 120 GLU B N 1
ATOM 916 C CA . GLU A 1 122 ? 25.224 -6.323 4.765 1.00 16.22 ? 120 GLU B CA 1
ATOM 917 C C . GLU A 1 122 ? 26.233 -5.289 4.266 1.00 16.00 ? 120 GLU B C 1
ATOM 918 O O . GLU A 1 122 ? 27.323 -5.644 3.811 1.00 18.23 ? 120 GLU B O 1
ATOM 919 C CB . GLU A 1 122 ? 24.170 -6.583 3.682 1.00 16.97 ? 120 GLU B CB 1
ATOM 920 C CG . GLU A 1 122 ? 24.711 -7.285 2.443 1.00 19.50 ? 120 GLU B CG 1
ATOM 921 C CD . GLU A 1 122 ? 25.104 -8.728 2.715 1.00 19.16 ? 120 GLU B CD 1
ATOM 922 O OE1 . GLU A 1 122 ? 24.225 -9.521 3.100 1.00 23.30 ? 120 GLU B OE1 1
ATOM 923 O OE2 . GLU A 1 122 ? 26.287 -9.076 2.541 1.00 20.35 ? 120 GLU B OE2 1
ATOM 924 N N . ALA A 1 123 ? 25.879 -4.012 4.372 1.00 14.92 ? 121 ALA B N 1
ATOM 925 C CA . ALA A 1 123 ? 26.750 -2.937 3.905 1.00 14.69 ? 121 ALA B CA 1
ATOM 926 C C . ALA A 1 123 ? 27.934 -2.628 4.821 1.00 17.03 ? 121 ALA B C 1
ATOM 927 O O . ALA A 1 123 ? 29.020 -2.297 4.346 1.00 17.17 ? 121 ALA B O 1
ATOM 928 C CB . ALA A 1 123 ? 25.932 -1.671 3.681 1.00 15.48 ? 121 ALA B CB 1
ATOM 929 N N . TYR A 1 124 ? 27.734 -2.741 6.130 1.00 17.45 ? 122 TYR B N 1
ATOM 930 C CA . TYR A 1 124 ? 28.804 -2.437 7.073 1.00 19.14 ? 122 TYR B CA 1
ATOM 931 C C . TYR A 1 124 ? 29.198 -3.605 7.972 1.00 21.91 ? 122 TYR B C 1
ATOM 932 O O . TYR A 1 124 ? 30.210 -3.542 8.673 1.00 25.36 ? 122 TYR B O 1
ATOM 933 C CB . TYR A 1 124 ? 28.394 -1.223 7.906 1.00 18.59 ? 122 TYR B CB 1
ATOM 934 C CG . TYR A 1 124 ? 28.286 0.034 7.073 1.00 20.03 ? 122 TYR B CG 1
ATOM 935 C CD1 . TYR A 1 124 ? 29.417 0.793 6.775 1.00 18.14 ? 122 TYR B CD1 1
ATOM 936 C CD2 . TYR A 1 124 ? 27.061 0.441 6.542 1.00 19.20 ? 122 TYR B CD2 1
ATOM 937 C CE1 . TYR A 1 124 ? 29.330 1.926 5.969 1.00 20.70 ? 122 TYR B CE1 1
ATOM 938 C CE2 . TYR A 1 124 ? 26.964 1.566 5.739 1.00 19.17 ? 122 TYR B CE2 1
ATOM 939 C CZ . TYR A 1 124 ? 28.100 2.304 5.456 1.00 19.08 ? 122 TYR B CZ 1
ATOM 940 O OH . TYR A 1 124 ? 28.004 3.418 4.659 1.00 23.01 ? 122 TYR B OH 1
ATOM 941 N N . GLY A 1 125 ? 28.400 -4.667 7.926 1.00 21.58 ? 123 GLY B N 1
ATOM 942 C CA . GLY A 1 125 ? 28.643 -5.865 8.713 1.00 24.35 ? 123 GLY B CA 1
ATOM 943 C C . GLY A 1 125 ? 29.537 -5.787 9.936 1.00 25.26 ? 123 GLY B C 1
ATOM 944 O O . GLY A 1 125 ? 29.057 -5.690 11.061 1.00 26.36 ? 123 GLY B O 1
ATOM 945 N N . ALA A 1 126 ? 30.843 -5.832 9.699 1.00 26.42 ? 124 ALA B N 1
ATOM 946 C CA . ALA A 1 126 ? 31.853 -5.806 10.750 1.00 27.08 ? 124 ALA B CA 1
ATOM 947 C C . ALA A 1 126 ? 31.712 -4.769 11.863 1.00 25.82 ? 124 ALA B C 1
ATOM 948 O O . ALA A 1 126 ? 32.129 -5.021 12.994 1.00 29.49 ? 124 ALA B O 1
ATOM 949 C CB . ALA A 1 126 ? 33.236 -5.677 10.113 1.00 28.04 ? 124 ALA B CB 1
ATOM 950 N N . VAL A 1 127 ? 31.135 -3.613 11.566 1.00 21.93 ? 125 VAL B N 1
ATOM 951 C CA . VAL A 1 127 ? 31.019 -2.576 12.586 1.00 18.01 ? 125 VAL B CA 1
ATOM 952 C C . VAL A 1 127 ? 29.603 -2.257 13.046 1.00 16.06 ? 125 VAL B C 1
ATOM 953 O O . VAL A 1 127 ? 29.404 -1.299 13.787 1.00 13.15 ? 125 VAL B O 1
ATOM 954 C CB . VAL A 1 127 ? 31.667 -1.251 12.111 1.00 17.85 ? 125 VAL B CB 1
ATOM 955 C CG1 . VAL A 1 127 ? 33.141 -1.475 11.794 1.00 17.92 ? 125 VAL B CG1 1
ATOM 956 C CG2 . VAL A 1 127 ? 30.929 -0.710 10.891 1.00 16.24 ? 125 VAL B CG2 1
ATOM 957 N N . THR A 1 128 ? 28.627 -3.052 12.619 1.00 15.57 ? 126 THR B N 1
ATOM 958 C CA . THR A 1 128 ? 27.237 -2.805 12.998 1.00 16.49 ? 126 THR B CA 1
ATOM 959 C C . THR A 1 128 ? 26.807 -3.532 14.273 1.00 16.82 ? 126 THR B C 1
ATOM 960 O O . THR A 1 128 ? 27.153 -4.692 14.484 1.00 16.76 ? 126 THR B O 1
ATOM 961 C CB . THR A 1 128 ? 26.283 -3.204 11.845 1.00 19.56 ? 126 THR B CB 1
ATOM 962 O OG1 . THR A 1 128 ? 26.530 -2.360 10.713 1.00 19.87 ? 126 THR B OG1 1
ATOM 963 C CG2 . THR A 1 128 ? 24.825 -3.059 12.266 1.00 21.25 ? 126 THR B CG2 1
ATOM 964 N N . GLN A 1 129 ? 26.056 -2.826 15.115 1.00 15.78 ? 127 GLN B N 1
ATOM 965 C CA . GLN A 1 129 ? 25.522 -3.362 16.368 1.00 15.47 ? 127 GLN B CA 1
ATOM 966 C C . GLN A 1 129 ? 24.086 -2.847 16.475 1.00 14.93 ? 127 GLN B C 1
ATOM 967 O O . GLN A 1 129 ? 23.848 -1.656 16.302 1.00 15.55 ? 127 GLN B O 1
ATOM 968 C CB . GLN A 1 129 ? 26.321 -2.845 17.568 1.00 18.64 ? 127 GLN B CB 1
ATOM 969 C CG . GLN A 1 129 ? 27.737 -3.385 17.705 1.00 21.12 ? 127 GLN B CG 1
ATOM 970 C CD . GLN A 1 129 ? 27.774 -4.793 18.262 1.00 22.90 ? 127 GLN B CD 1
ATOM 971 O OE1 . GLN A 1 129 ? 28.063 -5.749 17.544 1.00 26.24 ? 127 GLN B OE1 1
ATOM 972 N NE2 . GLN A 1 129 ? 27.475 -4.928 19.547 1.00 19.01 ? 127 GLN B NE2 1
ATOM 973 N N . THR A 1 130 ? 23.129 -3.726 16.753 1.00 13.38 ? 128 THR B N 1
ATOM 974 C CA . THR A 1 130 ? 21.743 -3.278 16.871 1.00 11.53 ? 128 THR B CA 1
ATOM 975 C C . THR A 1 130 ? 21.341 -3.173 18.335 1.00 10.67 ? 128 THR B C 1
ATOM 976 O O . THR A 1 130 ? 21.660 -4.049 19.137 1.00 9.09 ? 128 THR B O 1
ATOM 977 C CB . THR A 1 130 ? 20.771 -4.237 16.167 1.00 13.95 ? 128 THR B CB 1
ATOM 978 O OG1 . THR A 1 130 ? 20.907 -5.553 16.722 1.00 15.13 ? 128 THR B OG1 1
ATOM 979 C CG2 . THR A 1 130 ? 21.058 -4.275 14.669 1.00 14.72 ? 128 THR B CG2 1
ATOM 980 N N . VAL A 1 131 ? 20.644 -2.095 18.670 1.00 8.05 ? 129 VAL B N 1
ATOM 981 C CA . VAL A 1 131 ? 20.198 -1.872 20.038 1.00 8.13 ? 129 VAL B CA 1
ATOM 982 C C . VAL A 1 131 ? 18.697 -1.606 20.066 1.00 7.51 ? 129 VAL B C 1
ATOM 983 O O . VAL A 1 131 ? 18.206 -0.682 19.428 1.00 8.80 ? 129 VAL B O 1
ATOM 984 C CB . VAL A 1 131 ? 20.932 -0.674 20.666 1.00 8.90 ? 129 VAL B CB 1
ATOM 985 C CG1 . VAL A 1 131 ? 20.603 -0.578 22.156 1.00 9.62 ? 129 VAL B CG1 1
ATOM 986 C CG2 . VAL A 1 131 ? 22.432 -0.829 20.463 1.00 10.99 ? 129 VAL B CG2 1
ATOM 987 N N . ARG A 1 132 ? 17.971 -2.431 20.811 1.00 8.59 ? 130 ARG B N 1
ATOM 988 C CA . ARG A 1 132 ? 16.527 -2.277 20.919 1.00 8.79 ? 130 ARG B CA 1
ATOM 989 C C . ARG A 1 132 ? 16.179 -1.611 22.243 1.00 9.95 ? 130 ARG B C 1
ATOM 990 O O . ARG A 1 132 ? 16.709 -1.988 23.283 1.00 9.76 ? 130 ARG B O 1
ATOM 991 C CB . ARG A 1 132 ? 15.850 -3.647 20.857 1.00 7.31 ? 130 ARG B CB 1
ATOM 992 C CG . ARG A 1 132 ? 14.329 -3.611 20.960 1.00 9.23 ? 130 ARG B CG 1
ATOM 993 C CD . ARG A 1 132 ? 13.714 -2.909 19.756 1.00 9.05 ? 130 ARG B CD 1
ATOM 994 N NE . ARG A 1 132 ? 12.272 -3.122 19.680 1.00 8.08 ? 130 ARG B NE 1
ATOM 995 C CZ . ARG A 1 132 ? 11.506 -2.667 18.694 1.00 10.20 ? 130 ARG B CZ 1
ATOM 996 N NH1 . ARG A 1 132 ? 12.050 -1.974 17.703 1.00 8.21 ? 130 ARG B NH1 1
ATOM 997 N NH2 . ARG A 1 132 ? 10.201 -2.897 18.703 1.00 11.18 ? 130 ARG B NH2 1
ATOM 998 N N . VAL A 1 133 ? 15.301 -0.613 22.194 1.00 7.54 ? 131 VAL B N 1
ATOM 999 C CA . VAL A 1 133 ? 14.860 0.060 23.404 1.00 8.94 ? 131 VAL B CA 1
ATOM 1000 C C . VAL A 1 133 ? 13.440 -0.418 23.636 1.00 8.22 ? 131 VAL B C 1
ATOM 1001 O O . VAL A 1 133 ? 12.601 -0.351 22.737 1.00 8.48 ? 131 VAL B O 1
ATOM 1002 C CB . VAL A 1 133 ? 14.839 1.594 23.247 1.00 10.77 ? 131 VAL B CB 1
ATOM 1003 C CG1 . VAL A 1 133 ? 14.263 2.243 24.516 1.00 8.53 ? 131 VAL B CG1 1
ATOM 1004 C CG2 . VAL A 1 133 ? 16.256 2.101 22.993 1.00 9.90 ? 131 VAL B CG2 1
ATOM 1005 N N . VAL A 1 134 ? 13.185 -0.938 24.830 1.00 9.25 ? 132 VAL B N 1
ATOM 1006 C CA . VAL A 1 134 ? 11.856 -1.413 25.183 1.00 10.62 ? 132 VAL B CA 1
ATOM 1007 C C . VAL A 1 134 ? 11.535 -0.804 26.541 1.00 9.75 ? 132 VAL B C 1
ATOM 1008 O O . VAL A 1 134 ? 12.423 -0.628 27.368 1.00 10.53 ? 132 VAL B O 1
ATOM 1009 C CB . VAL A 1 134 ? 11.813 -2.957 25.281 1.00 11.51 ? 132 VAL B CB 1
ATOM 1010 C CG1 . VAL A 1 134 ? 12.737 -3.443 26.393 1.00 13.78 ? 132 VAL B CG1 1
ATOM 1011 C CG2 . VAL A 1 134 ? 10.387 -3.418 25.530 1.00 14.79 ? 132 VAL B CG2 1
ATOM 1012 N N . ALA A 1 135 ? 10.278 -0.458 26.768 1.00 9.48 ? 133 ALA B N 1
ATOM 1013 C CA . ALA A 1 135 ? 9.919 0.132 28.050 1.00 7.28 ? 133 ALA B CA 1
ATOM 1014 C C . ALA A 1 135 ? 8.802 -0.645 28.707 1.00 7.33 ? 133 ALA B C 1
ATOM 1015 O O . ALA A 1 135 ? 7.955 -1.215 28.025 1.00 6.90 ? 133 ALA B O 1
ATOM 1016 C CB . ALA A 1 135 ? 9.496 1.586 27.866 1.00 8.95 ? 133 ALA B CB 1
ATOM 1017 N N . LEU A 1 136 ? 8.811 -0.670 30.036 1.00 7.19 ? 134 LEU B N 1
ATOM 1018 C CA . LEU A 1 136 ? 7.756 -1.343 30.781 1.00 8.84 ? 134 LEU B CA 1
ATOM 1019 C C . LEU A 1 136 ? 6.470 -0.620 30.390 1.00 9.43 ? 134 LEU B C 1
ATOM 1020 O O . LEU A 1 136 ? 6.458 0.602 30.226 1.00 9.42 ? 134 LEU B O 1
ATOM 1021 C CB . LEU A 1 136 ? 8.005 -1.210 32.286 1.00 9.59 ? 134 LEU B CB 1
ATOM 1022 C CG . LEU A 1 136 ? 9.342 -1.773 32.775 1.00 11.43 ? 134 LEU B CG 1
ATOM 1023 C CD1 . LEU A 1 136 ? 9.462 -1.603 34.286 1.00 12.72 ? 134 LEU B CD1 1
ATOM 1024 C CD2 . LEU A 1 136 ? 9.443 -3.242 32.400 1.00 13.48 ? 134 LEU B CD2 1
ATOM 1025 N N . GLU A 1 137 ? 5.385 -1.366 30.245 1.00 9.64 ? 135 GLU B N 1
ATOM 1026 C CA . GLU A 1 137 ? 4.130 -0.763 29.827 1.00 10.31 ? 135 GLU B CA 1
ATOM 1027 C C . GLU A 1 137 ? 3.670 0.428 30.665 1.00 10.73 ? 135 GLU B C 1
ATOM 1028 O O . GLU A 1 137 ? 3.168 1.412 30.116 1.00 8.82 ? 135 GLU B O 1
ATOM 1029 C CB . GLU A 1 137 ? 3.037 -1.832 29.775 1.00 12.65 ? 135 GLU B CB 1
ATOM 1030 C CG . GLU A 1 137 ? 1.713 -1.336 29.241 1.00 15.25 ? 135 GLU B CG 1
ATOM 1031 C CD . GLU A 1 137 ? 0.887 -2.447 28.622 1.00 17.49 ? 135 GLU B CD 1
ATOM 1032 O OE1 . GLU A 1 137 ? -0.344 -2.278 28.500 1.00 18.78 ? 135 GLU B OE1 1
ATOM 1033 O OE2 . GLU A 1 137 ? 1.472 -3.485 28.243 1.00 18.67 ? 135 GLU B OE2 1
ATOM 1034 N N . GLN A 1 138 ? 3.838 0.354 31.982 1.00 10.41 ? 136 GLN B N 1
ATOM 1035 C CA . GLN A 1 138 ? 3.420 1.457 32.841 1.00 11.59 ? 136 GLN B CA 1
ATOM 1036 C C . GLN A 1 138 ? 4.231 2.731 32.598 1.00 11.36 ? 136 GLN B C 1
ATOM 1037 O O . GLN A 1 138 ? 3.727 3.835 32.799 1.00 10.54 ? 136 GLN B O 1
ATOM 1038 C CB . GLN A 1 138 ? 3.491 1.040 34.312 1.00 15.04 ? 136 GLN B CB 1
ATOM 1039 C CG . GLN A 1 138 ? 2.394 0.058 34.705 1.00 20.26 ? 136 GLN B CG 1
ATOM 1040 C CD . GLN A 1 138 ? 2.459 -0.335 36.167 1.00 23.66 ? 136 GLN B CD 1
ATOM 1041 O OE1 . GLN A 1 138 ? 3.426 -0.952 36.614 1.00 27.20 ? 136 GLN B OE1 1
ATOM 1042 N NE2 . GLN A 1 138 ? 1.427 0.025 36.922 1.00 27.29 ? 136 GLN B NE2 1
ATOM 1043 N N . SER A 1 139 ? 5.481 2.576 32.159 1.00 9.38 ? 137 SER B N 1
ATOM 1044 C CA . SER A 1 139 ? 6.334 3.721 31.870 1.00 10.88 ? 137 SER B CA 1
ATOM 1045 C C . SER A 1 139 ? 5.774 4.432 30.644 1.00 10.01 ? 137 SER B C 1
ATOM 1046 O O . SER A 1 139 ? 5.769 5.661 30.566 1.00 9.34 ? 137 SER B O 1
ATOM 1047 C CB . SER A 1 139 ? 7.774 3.264 31.595 1.00 12.17 ? 137 SER B CB 1
ATOM 1048 O OG . SER A 1 139 ? 8.596 4.370 31.247 1.00 17.36 ? 137 SER B OG 1
ATOM 1049 N N . ARG A 1 140 ? 5.297 3.654 29.678 1.00 9.91 ? 138 ARG B N 1
ATOM 1050 C CA . ARG A 1 140 ? 4.726 4.248 28.479 1.00 9.54 ? 138 ARG B CA 1
ATOM 1051 C C . ARG A 1 140 ? 3.423 4.951 28.858 1.00 9.08 ? 138 ARG B C 1
ATOM 1052 O O . ARG A 1 140 ? 3.124 6.035 28.360 1.00 7.17 ? 138 ARG B O 1
ATOM 1053 C CB . ARG A 1 140 ? 4.473 3.170 27.422 1.00 10.06 ? 138 ARG B CB 1
ATOM 1054 C CG . ARG A 1 140 ? 5.726 2.388 27.029 1.00 8.47 ? 138 ARG B CG 1
ATOM 1055 C CD . ARG A 1 140 ? 5.421 1.397 25.908 1.00 10.61 ? 138 ARG B CD 1
ATOM 1056 N NE . ARG A 1 140 ? 5.238 2.076 24.629 1.00 9.97 ? 138 ARG B NE 1
ATOM 1057 C CZ . ARG A 1 140 ? 4.604 1.559 23.582 1.00 10.18 ? 138 ARG B CZ 1
ATOM 1058 N NH1 . ARG A 1 140 ? 4.068 0.347 23.652 1.00 11.75 ? 138 ARG B NH1 1
ATOM 1059 N NH2 . ARG A 1 140 ? 4.529 2.251 22.452 1.00 10.02 ? 138 ARG B NH2 1
ATOM 1060 N N . GLN A 1 141 ? 2.659 4.336 29.757 1.00 9.55 ? 139 GLN B N 1
ATOM 1061 C CA . GLN A 1 141 ? 1.401 4.929 30.201 1.00 10.74 ? 139 GLN B CA 1
ATOM 1062 C C . GLN A 1 141 ? 1.626 6.271 30.893 1.00 10.51 ? 139 GLN B C 1
ATOM 1063 O O . GLN A 1 141 ? 0.848 7.212 30.709 1.00 10.14 ? 139 GLN B O 1
ATOM 1064 C CB . GLN A 1 141 ? 0.673 3.990 31.165 1.00 13.42 ? 139 GLN B CB 1
ATOM 1065 C CG . GLN A 1 141 ? 0.058 2.771 30.519 1.00 20.95 ? 139 GLN B CG 1
ATOM 1066 C CD . GLN A 1 141 ? -0.713 1.936 31.521 1.00 22.64 ? 139 GLN B CD 1
ATOM 1067 O OE1 . GLN A 1 141 ? -0.147 1.436 32.492 1.00 25.25 ? 139 GLN B OE1 1
ATOM 1068 N NE2 . GLN A 1 141 ? -2.015 1.788 31.296 1.00 26.12 ? 139 GLN B NE2 1
ATOM 1069 N N . GLN A 1 142 ? 2.688 6.355 31.692 1.00 9.83 ? 140 GLN B N 1
ATOM 1070 C CA . GLN A 1 142 ? 3.012 7.591 32.410 1.00 9.78 ? 140 GLN B CA 1
ATOM 1071 C C . GLN A 1 142 ? 3.272 8.709 31.410 1.00 9.84 ? 140 GLN B C 1
ATOM 1072 O O . GLN A 1 142 ? 2.985 9.878 31.681 1.00 8.46 ? 140 GLN B O 1
ATOM 1073 C CB . GLN A 1 142 ? 4.264 7.409 33.276 1.00 11.78 ? 140 GLN B CB 1
ATOM 1074 C CG . GLN A 1 142 ? 4.152 6.376 34.388 1.00 13.66 ? 140 GLN B CG 1
ATOM 1075 C CD . GLN A 1 142 ? 5.492 6.123 35.058 1.00 16.16 ? 140 GLN B CD 1
ATOM 1076 O OE1 . GLN A 1 142 ? 6.507 5.956 34.381 1.00 16.10 ? 140 GLN B OE1 1
ATOM 1077 N NE2 . GLN A 1 142 ? 5.502 6.089 36.386 1.00 17.82 ? 140 GLN B NE2 1
ATOM 1078 N N . ARG A 1 143 ? 3.824 8.333 30.256 1.00 9.62 ? 141 ARG B N 1
ATOM 1079 C CA . ARG A 1 143 ? 4.141 9.269 29.177 1.00 11.01 ? 141 ARG B CA 1
ATOM 1080 C C . ARG A 1 143 ? 2.892 9.642 28.385 1.00 14.31 ? 141 ARG B C 1
ATOM 1081 O O . ARG A 1 143 ? 2.959 10.423 27.433 1.00 14.19 ? 141 ARG B O 1
ATOM 1082 C CB . ARG A 1 143 ? 5.171 8.644 28.222 1.00 12.67 ? 141 ARG B CB 1
ATOM 1083 C CG . ARG A 1 143 ? 6.581 8.470 28.795 1.00 14.28 ? 141 ARG B CG 1
ATOM 1084 C CD . ARG A 1 143 ? 7.355 9.784 28.785 1.00 14.58 ? 141 ARG B CD 1
ATOM 1085 N NE . ARG A 1 143 ? 7.439 10.350 27.439 1.00 13.99 ? 141 ARG B NE 1
ATOM 1086 C CZ . ARG A 1 143 ? 8.235 9.895 26.473 1.00 13.36 ? 141 ARG B CZ 1
ATOM 1087 N NH1 . ARG A 1 143 ? 9.039 8.860 26.689 1.00 11.93 ? 141 ARG B NH1 1
ATOM 1088 N NH2 . ARG A 1 143 ? 8.214 10.470 25.278 1.00 10.14 ? 141 ARG B NH2 1
ATOM 1089 N N . GLY A 1 144 ? 1.754 9.075 28.773 1.00 13.93 ? 142 GLY B N 1
ATOM 1090 C CA . GLY A 1 144 ? 0.515 9.379 28.083 1.00 12.52 ? 142 GLY B CA 1
ATOM 1091 C C . GLY A 1 144 ? 0.170 8.427 26.954 1.00 13.22 ? 142 GLY B C 1
ATOM 1092 O O . GLY A 1 144 ? -0.711 8.713 26.143 1.00 13.95 ? 142 GLY B O 1
ATOM 1093 N N . TRP A 1 145 ? 0.845 7.285 26.905 1.00 12.93 ? 143 TRP B N 1
ATOM 1094 C CA . TRP A 1 145 ? 0.585 6.309 25.855 1.00 13.57 ? 143 TRP B CA 1
ATOM 1095 C C . TRP A 1 145 ? -0.728 5.551 26.036 1.00 14.52 ? 143 TRP B C 1
ATOM 1096 O O . TRP A 1 145 ? -1.053 5.097 27.132 1.00 14.25 ? 143 TRP B O 1
ATOM 1097 C CB . TRP A 1 145 ? 1.723 5.288 25.780 1.00 15.57 ? 143 TRP B CB 1
ATOM 1098 C CG . TRP A 1 145 ? 1.510 4.257 24.707 1.00 13.89 ? 143 TRP B CG 1
ATOM 1099 C CD1 . TRP A 1 145 ? 1.735 4.409 23.364 1.00 14.68 ? 143 TRP B CD1 1
ATOM 1100 C CD2 . TRP A 1 145 ? 0.974 2.940 24.877 1.00 15.35 ? 143 TRP B CD2 1
ATOM 1101 N NE1 . TRP A 1 145 ? 1.373 3.266 22.692 1.00 13.57 ? 143 TRP B NE1 1
ATOM 1102 C CE2 . TRP A 1 145 ? 0.903 2.347 23.595 1.00 14.41 ? 143 TRP B CE2 1
ATOM 1103 C CE3 . TRP A 1 145 ? 0.547 2.199 25.988 1.00 17.59 ? 143 TRP B CE3 1
ATOM 1104 C CZ2 . TRP A 1 145 ? 0.418 1.053 23.392 1.00 18.49 ? 143 TRP B CZ2 1
ATOM 1105 C CZ3 . TRP A 1 145 ? 0.062 0.905 25.784 1.00 20.57 ? 143 TRP B CZ3 1
ATOM 1106 C CH2 . TRP A 1 145 ? 0.006 0.349 24.494 1.00 17.86 ? 143 TRP B CH2 1
ATOM 1107 N N . VAL A 1 146 ? -1.471 5.417 24.942 1.00 15.38 ? 144 VAL B N 1
ATOM 1108 C CA . VAL A 1 146 ? -2.730 4.678 24.924 1.00 17.64 ? 144 VAL B CA 1
ATOM 1109 C C . VAL A 1 146 ? -2.767 3.957 23.579 1.00 15.66 ? 144 VAL B C 1
ATOM 1110 O O . VAL A 1 146 ? -2.546 4.580 22.543 1.00 15.50 ? 144 VAL B O 1
ATOM 1111 C CB . VAL A 1 146 ? -3.956 5.614 25.012 1.00 18.52 ? 144 VAL B CB 1
ATOM 1112 C CG1 . VAL A 1 146 ? -5.233 4.785 25.087 1.00 19.86 ? 144 VAL B CG1 1
ATOM 1113 C CG2 . VAL A 1 146 ? -3.831 6.531 26.222 1.00 16.57 ? 144 VAL B CG2 1
ATOM 1114 N N . PHE A 1 147 ? -3.031 2.653 23.585 1.00 16.67 ? 145 PHE B N 1
ATOM 1115 C CA . PHE A 1 147 ? -3.070 1.910 22.327 1.00 18.81 ? 145 PHE B CA 1
ATOM 1116 C C . PHE A 1 147 ? -3.952 2.654 21.336 1.00 20.64 ? 145 PHE B C 1
ATOM 1117 O O . PHE A 1 147 ? -5.117 2.949 21.623 1.00 20.21 ? 145 PHE B O 1
ATOM 1118 C CB . PHE A 1 147 ? -3.615 0.498 22.527 1.00 20.88 ? 145 PHE B CB 1
ATOM 1119 C CG . PHE A 1 147 ? -3.473 -0.368 21.311 1.00 23.09 ? 145 PHE B CG 1
ATOM 1120 C CD1 . PHE A 1 147 ? -2.259 -0.979 21.018 1.00 24.13 ? 145 PHE B CD1 1
ATOM 1121 C CD2 . PHE A 1 147 ? -4.535 -0.530 20.427 1.00 24.98 ? 145 PHE B CD2 1
ATOM 1122 C CE1 . PHE A 1 147 ? -2.103 -1.739 19.860 1.00 26.09 ? 145 PHE B CE1 1
ATOM 1123 C CE2 . PHE A 1 147 ? -4.389 -1.287 19.267 1.00 26.41 ? 145 PHE B CE2 1
ATOM 1124 C CZ . PHE A 1 147 ? -3.171 -1.892 18.983 1.00 26.29 ? 145 PHE B CZ 1
ATOM 1125 N N . THR A 1 148 ? -3.397 2.945 20.165 1.00 19.74 ? 146 THR B N 1
ATOM 1126 C CA . THR A 1 148 ? -4.119 3.687 19.144 1.00 20.20 ? 146 THR B CA 1
ATOM 1127 C C . THR A 1 148 ? -4.165 2.972 17.801 1.00 20.94 ? 146 THR B C 1
ATOM 1128 O O . THR A 1 148 ? -3.148 2.865 17.110 1.00 20.50 ? 146 THR B O 1
ATOM 1129 C CB . THR A 1 148 ? -3.475 5.071 18.939 1.00 21.03 ? 146 THR B CB 1
ATOM 1130 O OG1 . THR A 1 148 ? -3.458 5.773 20.188 1.00 20.10 ? 146 THR B OG1 1
ATOM 1131 C CG2 . THR A 1 148 ? -4.248 5.881 17.912 1.00 23.03 ? 146 THR B CG2 1
ATOM 1132 N N . PRO A 1 149 ? -5.349 2.466 17.413 1.00 20.39 ? 147 PRO B N 1
ATOM 1133 C CA . PRO A 1 149 ? -5.500 1.768 16.134 1.00 19.35 ? 147 PRO B CA 1
ATOM 1134 C C . PRO A 1 149 ? -5.008 2.668 15.006 1.00 18.51 ? 147 PRO B C 1
ATOM 1135 O O . PRO A 1 149 ? -5.294 3.865 14.994 1.00 18.48 ? 147 PRO B O 1
ATOM 1136 C CB . PRO A 1 149 ? -7.005 1.515 16.058 1.00 20.39 ? 147 PRO B CB 1
ATOM 1137 C CG . PRO A 1 149 ? -7.373 1.308 17.496 1.00 21.38 ? 147 PRO B CG 1
ATOM 1138 C CD . PRO A 1 149 ? -6.605 2.422 18.186 1.00 21.30 ? 147 PRO B CD 1
ATOM 1139 N N . GLY A 1 150 ? -4.261 2.097 14.066 1.00 18.90 ? 148 GLY B N 1
ATOM 1140 C CA . GLY A 1 150 ? -3.747 2.888 12.965 1.00 19.10 ? 148 GLY B CA 1
ATOM 1141 C C . GLY A 1 150 ? -2.355 3.428 13.237 1.00 20.13 ? 148 GLY B C 1
ATOM 1142 O O . GLY A 1 150 ? -1.712 3.991 12.350 1.00 22.68 ? 148 GLY B O 1
ATOM 1143 N N . VAL A 1 151 ? -1.894 3.267 14.474 1.00 19.87 ? 149 VAL B N 1
ATOM 1144 C CA . VAL A 1 151 ? -0.568 3.724 14.867 1.00 18.65 ? 149 VAL B CA 1
ATOM 1145 C C . VAL A 1 151 ? 0.189 2.601 15.561 1.00 18.00 ? 149 VAL B C 1
ATOM 1146 O O . VAL A 1 151 ? 1.203 2.125 15.059 1.00 16.34 ? 149 VAL B O 1
ATOM 1147 C CB . VAL A 1 151 ? -0.637 4.940 15.833 1.00 19.27 ? 149 VAL B CB 1
ATOM 1148 C CG1 . VAL A 1 151 ? 0.757 5.259 16.373 1.00 19.49 ? 149 VAL B CG1 1
ATOM 1149 C CG2 . VAL A 1 151 ? -1.200 6.155 15.108 1.00 19.71 ? 149 VAL B CG2 1
ATOM 1150 N N . ASP A 1 152 ? -0.324 2.166 16.708 1.00 15.96 ? 150 ASP B N 1
ATOM 1151 C CA . ASP A 1 152 ? 0.329 1.121 17.484 1.00 16.55 ? 150 ASP B CA 1
ATOM 1152 C C . ASP A 1 152 ? 0.237 -0.277 16.901 1.00 16.20 ? 150 ASP B C 1
ATOM 1153 O O . ASP A 1 152 ? 0.880 -1.201 17.398 1.00 15.40 ? 150 ASP B O 1
ATOM 1154 C CB . ASP A 1 152 ? -0.195 1.145 18.920 1.00 17.06 ? 150 ASP B CB 1
ATOM 1155 C CG . ASP A 1 152 ? 0.146 2.439 19.627 1.00 19.39 ? 150 ASP B CG 1
ATOM 1156 O OD1 . ASP A 1 152 ? 1.353 2.723 19.781 1.00 17.44 ? 150 ASP B OD1 1
ATOM 1157 O OD2 . ASP A 1 152 ? -0.784 3.178 20.015 1.00 19.76 ? 150 ASP B OD2 1
ATOM 1158 N N . ASP A 1 153 ? -0.562 -0.439 15.851 1.00 15.97 ? 151 ASP B N 1
ATOM 1159 C CA . ASP A 1 153 ? -0.669 -1.735 15.196 1.00 17.12 ? 151 ASP B CA 1
ATOM 1160 C C . ASP A 1 153 ? -0.170 -1.623 13.755 1.00 17.59 ? 151 ASP B C 1
ATOM 1161 O O . ASP A 1 153 ? -0.330 -2.546 12.956 1.00 18.80 ? 151 ASP B O 1
ATOM 1162 C CB . ASP A 1 153 ? -2.114 -2.258 15.229 1.00 18.78 ? 151 ASP B CB 1
ATOM 1163 C CG . ASP A 1 153 ? -3.120 -1.243 14.731 1.00 19.44 ? 151 ASP B CG 1
ATOM 1164 O OD1 . ASP A 1 153 ? -2.705 -0.188 14.210 1.00 19.79 ? 151 ASP B OD1 1
ATOM 1165 O OD2 . ASP A 1 153 ? -4.337 -1.505 14.856 1.00 22.57 ? 151 ASP B OD2 1
ATOM 1166 N N . ALA A 1 154 ? 0.453 -0.490 13.437 1.00 16.72 ? 152 ALA B N 1
ATOM 1167 C CA . ALA A 1 154 ? 0.988 -0.253 12.096 1.00 15.54 ? 152 ALA B CA 1
ATOM 1168 C C . ALA A 1 154 ? 2.436 -0.739 12.006 1.00 15.75 ? 152 ALA B C 1
ATOM 1169 O O . ALA A 1 154 ? 3.127 -0.841 13.025 1.00 14.08 ? 152 ALA B O 1
ATOM 1170 C CB . ALA A 1 154 ? 0.913 1.222 11.759 1.00 17.97 ? 152 ALA B CB 1
ATOM 1171 N N . GLU A 1 155 ? 2.898 -1.027 10.790 1.00 14.54 ? 153 GLU B N 1
ATOM 1172 C CA . GLU A 1 155 ? 4.264 -1.514 10.597 1.00 15.38 ? 153 GLU B CA 1
ATOM 1173 C C . GLU A 1 155 ? 5.339 -0.556 11.101 1.00 14.02 ? 153 GLU B C 1
ATOM 1174 O O . GLU A 1 155 ? 6.410 -0.988 11.530 1.00 13.61 ? 153 GLU B O 1
ATOM 1175 C CB . GLU A 1 155 ? 4.536 -1.828 9.121 1.00 19.00 ? 153 GLU B CB 1
ATOM 1176 C CG . GLU A 1 155 ? 5.946 -2.383 8.903 1.00 24.58 ? 153 GLU B CG 1
ATOM 1177 C CD . GLU A 1 155 ? 6.268 -2.691 7.456 1.00 28.54 ? 153 GLU B CD 1
ATOM 1178 O OE1 . GLU A 1 155 ? 6.209 -1.767 6.619 1.00 29.78 ? 153 GLU B OE1 1
ATOM 1179 O OE2 . GLU A 1 155 ? 6.592 -3.863 7.161 1.00 31.00 ? 153 GLU B OE2 1
ATOM 1180 N N . SER A 1 156 ? 5.067 0.741 11.044 1.00 14.01 ? 154 SER B N 1
ATOM 1181 C CA . SER A 1 156 ? 6.035 1.730 11.505 1.00 15.54 ? 154 SER B CA 1
ATOM 1182 C C . SER A 1 156 ? 6.420 1.469 12.968 1.00 15.33 ? 154 SER B C 1
ATOM 1183 O O . SER A 1 156 ? 7.562 1.704 13.376 1.00 12.61 ? 154 SER B O 1
ATOM 1184 C CB . SER A 1 156 ? 5.448 3.138 11.356 1.00 18.03 ? 154 SER B CB 1
ATOM 1185 O OG . SER A 1 156 ? 6.439 4.133 11.548 1.00 22.41 ? 154 SER B OG 1
ATOM 1186 N N . GLU A 1 157 ? 5.460 0.971 13.746 1.00 12.57 ? 155 GLU B N 1
ATOM 1187 C CA . GLU A 1 157 ? 5.677 0.675 15.159 1.00 12.12 ? 155 GLU B CA 1
ATOM 1188 C C . GLU A 1 157 ? 5.888 -0.802 15.486 1.00 11.77 ? 155 GLU B C 1
ATOM 1189 O O . GLU A 1 157 ? 6.451 -1.125 16.532 1.00 12.06 ? 155 GLU B O 1
ATOM 1190 C CB . GLU A 1 157 ? 4.493 1.182 15.988 1.00 11.47 ? 155 GLU B CB 1
ATOM 1191 C CG . GLU A 1 157 ? 4.425 2.687 16.129 1.00 13.23 ? 155 GLU B CG 1
ATOM 1192 C CD . GLU A 1 157 ? 5.519 3.229 17.024 1.00 12.34 ? 155 GLU B CD 1
ATOM 1193 O OE1 . GLU A 1 157 ? 5.578 2.813 18.202 1.00 11.47 ? 155 GLU B OE1 1
ATOM 1194 O OE2 . GLU A 1 157 ? 6.314 4.067 16.557 1.00 14.61 ? 155 GLU B OE2 1
ATOM 1195 N N . CYS A 1 158 ? 5.445 -1.694 14.602 1.00 11.74 ? 156 CYS B N 1
ATOM 1196 C CA . CYS A 1 158 ? 5.554 -3.133 14.852 1.00 11.86 ? 156 CYS B CA 1
ATOM 1197 C C . CYS A 1 158 ? 6.502 -3.898 13.931 1.00 11.94 ? 156 CYS B C 1
ATOM 1198 O O . CYS A 1 158 ? 6.625 -5.118 14.051 1.00 10.65 ? 156 CYS B O 1
ATOM 1199 C CB . CYS A 1 158 ? 4.167 -3.775 14.757 1.00 12.68 ? 156 CYS B CB 1
ATOM 1200 S SG . CYS A 1 158 ? 2.927 -2.996 15.810 1.00 12.31 ? 156 CYS B SG 1
ATOM 1201 N N . GLY A 1 159 ? 7.163 -3.189 13.021 1.00 11.72 ? 157 GLY B N 1
ATOM 1202 C CA . GLY A 1 159 ? 8.068 -3.837 12.085 1.00 9.26 ? 157 GLY B CA 1
ATOM 1203 C C . GLY A 1 159 ? 9.165 -4.719 12.662 1.00 10.86 ? 157 GLY B C 1
ATOM 1204 O O . GLY A 1 159 ? 9.674 -5.605 11.975 1.00 9.33 ? 157 GLY B O 1
ATOM 1205 N N . LEU A 1 160 ? 9.537 -4.490 13.915 1.00 9.55 ? 158 LEU B N 1
ATOM 1206 C CA . LEU A 1 160 ? 10.586 -5.291 14.534 1.00 10.43 ? 158 LEU B CA 1
ATOM 1207 C C . LEU A 1 160 ? 10.083 -6.113 15.716 1.00 11.38 ? 158 LEU B C 1
ATOM 1208 O O . LEU A 1 160 ? 10.875 -6.646 16.490 1.00 10.32 ? 158 LEU B O 1
ATOM 1209 C CB . LEU A 1 160 ? 11.734 -4.384 14.980 1.00 10.47 ? 158 LEU B CB 1
ATOM 1210 C CG . LEU A 1 160 ? 12.521 -3.756 13.825 1.00 9.34 ? 158 LEU B CG 1
ATOM 1211 C CD1 . LEU A 1 160 ? 13.378 -2.594 14.325 1.00 10.92 ? 158 LEU B CD1 1
ATOM 1212 C CD2 . LEU A 1 160 ? 13.378 -4.834 13.180 1.00 8.24 ? 158 LEU B CD2 1
ATOM 1213 N N . ASP A 1 161 ? 8.765 -6.226 15.837 1.00 12.26 ? 159 ASP B N 1
ATOM 1214 C CA . ASP A 1 161 ? 8.163 -6.978 16.934 1.00 13.08 ? 159 ASP B CA 1
ATOM 1215 C C . ASP A 1 161 ? 8.454 -8.471 16.894 1.00 14.83 ? 159 ASP B C 1
ATOM 1216 O O . ASP A 1 161 ? 8.450 -9.139 17.931 1.00 13.36 ? 159 ASP B O 1
ATOM 1217 C CB . ASP A 1 161 ? 6.652 -6.753 16.950 1.00 12.05 ? 159 ASP B CB 1
ATOM 1218 C CG . ASP A 1 161 ? 6.281 -5.372 17.440 1.00 13.20 ? 159 ASP B CG 1
ATOM 1219 O OD1 . ASP A 1 161 ? 7.197 -4.542 17.636 1.00 13.02 ? 159 ASP B OD1 1
ATOM 1220 O OD2 . ASP A 1 161 ? 5.076 -5.113 17.628 1.00 12.01 ? 159 ASP B OD2 1
ATOM 1221 N N . ASN A 1 162 ? 8.708 -8.997 15.701 1.00 15.03 ? 160 ASN B N 1
ATOM 1222 C CA . ASN A 1 162 ? 8.996 -10.418 15.559 1.00 17.33 ? 160 ASN B CA 1
ATOM 1223 C C . ASN A 1 162 ? 10.476 -10.676 15.327 1.00 15.77 ? 160 ASN B C 1
ATOM 1224 O O . ASN A 1 162 ? 10.871 -11.759 14.894 1.00 16.64 ? 160 ASN B O 1
ATOM 1225 C CB . ASN A 1 162 ? 8.175 -11.010 14.415 1.00 20.80 ? 160 ASN B CB 1
ATOM 1226 C CG . ASN A 1 162 ? 7.247 -12.102 14.884 1.00 28.14 ? 160 ASN B CG 1
ATOM 1227 O OD1 . ASN A 1 162 ? 7.693 -13.155 15.338 1.00 31.39 ? 160 ASN B OD1 1
ATOM 1228 N ND2 . ASN A 1 162 ? 5.943 -11.856 14.790 1.00 31.55 ? 160 ASN B ND2 1
ATOM 1229 N N . PHE A 1 163 ? 11.291 -9.670 15.618 1.00 15.19 ? 161 PHE B N 1
ATOM 1230 C CA . PHE A 1 163 ? 12.736 -9.773 15.453 1.00 14.79 ? 161 PHE B CA 1
ATOM 1231 C C . PHE A 1 163 ? 13.366 -9.892 16.839 1.00 15.80 ? 161 PHE B C 1
ATOM 1232 O O . PHE A 1 163 ? 13.046 -9.111 17.740 1.00 16.29 ? 161 PHE B O 1
ATOM 1233 C CB . PHE A 1 163 ? 13.265 -8.518 14.751 1.00 14.93 ? 161 PHE B CB 1
ATOM 1234 C CG . PHE A 1 163 ? 14.727 -8.573 14.412 1.00 14.79 ? 161 PHE B CG 1
ATOM 1235 C CD1 . PHE A 1 163 ? 15.158 -9.169 13.229 1.00 14.54 ? 161 PHE B CD1 1
ATOM 1236 C CD2 . PHE A 1 163 ? 15.673 -8.005 15.261 1.00 14.74 ? 161 PHE B CD2 1
ATOM 1237 C CE1 . PHE A 1 163 ? 16.515 -9.193 12.894 1.00 15.36 ? 161 PHE B CE1 1
ATOM 1238 C CE2 . PHE A 1 163 ? 17.031 -8.023 14.937 1.00 16.95 ? 161 PHE B CE2 1
ATOM 1239 C CZ . PHE A 1 163 ? 17.452 -8.618 13.748 1.00 16.20 ? 161 PHE B CZ 1
ATOM 1240 N N . GLY A 1 164 ? 14.258 -10.861 17.012 1.00 14.94 ? 162 GLY B N 1
ATOM 1241 C CA . GLY A 1 164 ? 14.898 -11.029 18.304 1.00 17.40 ? 162 GLY B CA 1
ATOM 1242 C C . GLY A 1 164 ? 16.417 -11.069 18.272 1.00 17.81 ? 162 GLY B C 1
ATOM 1243 O O . GLY A 1 164 ? 17.050 -11.184 19.321 1.00 17.56 ? 162 GLY B O 1
ATOM 1244 N N . ASP A 1 165 ? 17.005 -10.964 17.081 1.00 16.82 ? 163 ASP B N 1
ATOM 1245 C CA . ASP A 1 165 ? 18.461 -11.013 16.934 1.00 18.77 ? 163 ASP B CA 1
ATOM 1246 C C . ASP A 1 165 ? 19.186 -9.693 17.184 1.00 16.59 ? 163 ASP B C 1
ATOM 1247 O O . ASP A 1 165 ? 20.111 -9.339 16.455 1.00 17.12 ? 163 ASP B O 1
ATOM 1248 C CB . ASP A 1 165 ? 18.837 -11.531 15.542 1.00 22.94 ? 163 ASP B CB 1
ATOM 1249 C CG . ASP A 1 165 ? 18.447 -12.980 15.335 1.00 28.89 ? 163 ASP B CG 1
ATOM 1250 O OD1 . ASP A 1 165 ? 18.849 -13.824 16.164 1.00 33.00 ? 163 ASP B OD1 1
ATOM 1251 O OD2 . ASP A 1 165 ? 17.747 -13.277 14.344 1.00 34.54 ? 163 ASP B OD2 1
ATOM 1252 N N . PHE A 1 166 ? 18.769 -8.967 18.213 1.00 13.91 ? 164 PHE B N 1
ATOM 1253 C CA . PHE A 1 166 ? 19.410 -7.706 18.549 1.00 12.62 ? 164 PHE B CA 1
ATOM 1254 C C . PHE A 1 166 ? 20.723 -8.020 19.251 1.00 10.68 ? 164 PHE B C 1
ATOM 1255 O O . PHE A 1 166 ? 20.871 -9.079 19.853 1.00 11.72 ? 164 PHE B O 1
ATOM 1256 C CB . PHE A 1 166 ? 18.530 -6.893 19.504 1.00 11.64 ? 164 PHE B CB 1
ATOM 1257 C CG . PHE A 1 166 ? 17.211 -6.486 18.921 1.00 9.91 ? 164 PHE B CG 1
ATOM 1258 C CD1 . PHE A 1 166 ? 17.145 -5.519 17.924 1.00 12.05 ? 164 PHE B CD1 1
ATOM 1259 C CD2 . PHE A 1 166 ? 16.031 -7.062 19.379 1.00 12.16 ? 164 PHE B CD2 1
ATOM 1260 C CE1 . PHE A 1 166 ? 15.915 -5.128 17.389 1.00 11.42 ? 164 PHE B CE1 1
ATOM 1261 C CE2 . PHE A 1 166 ? 14.797 -6.680 18.852 1.00 12.55 ? 164 PHE B CE2 1
ATOM 1262 C CZ . PHE A 1 166 ? 14.740 -5.710 17.856 1.00 12.13 ? 164 PHE B CZ 1
ATOM 1263 N N . ASP A 1 167 ? 21.676 -7.103 19.182 1.00 10.38 ? 165 ASP B N 1
ATOM 1264 C CA . ASP A 1 167 ? 22.939 -7.322 19.869 1.00 11.64 ? 165 ASP B CA 1
ATOM 1265 C C . ASP A 1 167 ? 22.735 -6.910 21.318 1.00 11.08 ? 165 ASP B C 1
ATOM 1266 O O . ASP A 1 167 ? 23.205 -7.579 22.239 1.00 9.39 ? 165 ASP B O 1
ATOM 1267 C CB . ASP A 1 167 ? 24.047 -6.492 19.224 1.00 11.44 ? 165 ASP B CB 1
ATOM 1268 C CG . ASP A 1 167 ? 24.415 -7.003 17.855 1.00 14.35 ? 165 ASP B CG 1
ATOM 1269 O OD1 . ASP A 1 167 ? 25.004 -8.107 17.773 1.00 14.96 ? 165 ASP B OD1 1
ATOM 1270 O OD2 . ASP A 1 167 ? 24.103 -6.313 16.864 1.00 10.31 ? 165 ASP B OD2 1
ATOM 1271 N N . TRP A 1 168 ? 22.011 -5.813 21.514 1.00 10.22 ? 166 TRP B N 1
ATOM 1272 C CA . TRP A 1 168 ? 21.745 -5.319 22.855 1.00 10.84 ? 166 TRP B CA 1
ATOM 1273 C C . TRP A 1 168 ? 20.299 -4.865 23.011 1.00 10.55 ? 166 TRP B C 1
ATOM 1274 O O . TRP A 1 168 ? 19.657 -4.444 22.048 1.00 11.12 ? 166 TRP B O 1
ATOM 1275 C CB . TRP A 1 168 ? 22.670 -4.146 23.187 1.00 11.82 ? 166 TRP B CB 1
ATOM 1276 C CG . TRP A 1 168 ? 24.120 -4.437 22.946 1.00 14.11 ? 166 TRP B CG 1
ATOM 1277 C CD1 . TRP A 1 168 ? 24.892 -3.961 21.923 1.00 15.08 ? 166 TRP B CD1 1
ATOM 1278 C CD2 . TRP A 1 168 ? 24.968 -5.288 23.728 1.00 16.43 ? 166 TRP B CD2 1
ATOM 1279 N NE1 . TRP A 1 168 ? 26.168 -4.463 22.021 1.00 16.66 ? 166 TRP B NE1 1
ATOM 1280 C CE2 . TRP A 1 168 ? 26.243 -5.284 23.119 1.00 17.19 ? 166 TRP B CE2 1
ATOM 1281 C CE3 . TRP A 1 168 ? 24.773 -6.062 24.884 1.00 16.46 ? 166 TRP B CE3 1
ATOM 1282 C CZ2 . TRP A 1 168 ? 27.323 -6.017 23.627 1.00 18.14 ? 166 TRP B CZ2 1
ATOM 1283 C CZ3 . TRP A 1 168 ? 25.849 -6.794 25.392 1.00 17.15 ? 166 TRP B CZ3 1
ATOM 1284 C CH2 . TRP A 1 168 ? 27.107 -6.766 24.760 1.00 17.77 ? 166 TRP B CH2 1
ATOM 1285 N N . VAL A 1 169 ? 19.799 -4.958 24.237 1.00 9.67 ? 167 VAL B N 1
ATOM 1286 C CA . VAL A 1 169 ? 18.443 -4.537 24.554 1.00 9.71 ? 167 VAL B CA 1
ATOM 1287 C C . VAL A 1 169 ? 18.476 -3.686 25.815 1.00 9.60 ? 167 VAL B C 1
ATOM 1288 O O . VAL A 1 169 ? 19.002 -4.115 26.846 1.00 8.20 ? 167 VAL B O 1
ATOM 1289 C CB . VAL A 1 169 ? 17.509 -5.744 24.820 1.00 11.47 ? 167 VAL B CB 1
ATOM 1290 C CG1 . VAL A 1 169 ? 16.146 -5.250 25.291 1.00 9.67 ? 167 VAL B CG1 1
ATOM 1291 C CG2 . VAL A 1 169 ? 17.357 -6.579 23.559 1.00 11.18 ? 167 VAL B CG2 1
ATOM 1292 N N . ILE A 1 170 ? 17.931 -2.475 25.721 1.00 8.32 ? 168 ILE B N 1
ATOM 1293 C CA . ILE A 1 170 ? 17.863 -1.580 26.865 1.00 10.11 ? 168 ILE B CA 1
ATOM 1294 C C . ILE A 1 170 ? 16.413 -1.547 27.319 1.00 9.11 ? 168 ILE B C 1
ATOM 1295 O O . ILE A 1 170 ? 15.541 -1.080 26.584 1.00 10.74 ? 168 ILE B O 1
ATOM 1296 C CB . ILE A 1 170 ? 18.299 -0.145 26.500 1.00 10.58 ? 168 ILE B CB 1
ATOM 1297 C CG1 . ILE A 1 170 ? 19.782 -0.139 26.126 1.00 13.53 ? 168 ILE B CG1 1
ATOM 1298 C CG2 . ILE A 1 170 ? 18.039 0.798 27.675 1.00 11.58 ? 168 ILE B CG2 1
ATOM 1299 C CD1 . ILE A 1 170 ? 20.304 1.222 25.681 1.00 17.48 ? 168 ILE B CD1 1
ATOM 1300 N N . GLU A 1 171 ? 16.147 -2.068 28.511 1.00 7.73 ? 169 GLU B N 1
ATOM 1301 C CA . GLU A 1 171 ? 14.785 -2.054 29.023 1.00 8.52 ? 169 GLU B CA 1
ATOM 1302 C C . GLU A 1 171 ? 14.634 -0.873 29.970 1.00 9.61 ? 169 GLU B C 1
ATOM 1303 O O . GLU A 1 171 ? 15.287 -0.807 31.015 1.00 7.85 ? 169 GLU B O 1
ATOM 1304 C CB . GLU A 1 171 ? 14.448 -3.359 29.746 1.00 10.24 ? 169 GLU B CB 1
ATOM 1305 C CG . GLU A 1 171 ? 13.013 -3.378 30.279 1.00 12.59 ? 169 GLU B CG 1
ATOM 1306 C CD . GLU A 1 171 ? 12.656 -4.676 30.969 1.00 13.14 ? 169 GLU B CD 1
ATOM 1307 O OE1 . GLU A 1 171 ? 12.285 -5.646 30.278 1.00 16.70 ? 169 GLU B OE1 1
ATOM 1308 O OE2 . GLU A 1 171 ? 12.757 -4.727 32.207 1.00 13.28 ? 169 GLU B OE2 1
ATOM 1309 N N . ASN A 1 172 ? 13.790 0.073 29.575 1.00 8.61 ? 170 ASN B N 1
ATOM 1310 C CA . ASN A 1 172 ? 13.532 1.258 30.375 1.00 8.96 ? 170 ASN B CA 1
ATOM 1311 C C . ASN A 1 172 ? 12.520 0.903 31.462 1.00 8.69 ? 170 ASN B C 1
ATOM 1312 O O . ASN A 1 172 ? 11.385 0.538 31.162 1.00 8.67 ? 170 ASN B O 1
ATOM 1313 C CB . ASN A 1 172 ? 12.988 2.369 29.479 1.00 9.14 ? 170 ASN B CB 1
ATOM 1314 C CG . ASN A 1 172 ? 12.697 3.647 30.238 1.00 11.32 ? 170 ASN B CG 1
ATOM 1315 O OD1 . ASN A 1 172 ? 13.004 3.766 31.422 1.00 11.11 ? 170 ASN B OD1 1
ATOM 1316 N ND2 . ASN A 1 172 ? 12.104 4.615 29.551 1.00 11.34 ? 170 ASN B ND2 1
ATOM 1317 N N . HIS A 1 173 ? 12.948 1.008 32.719 1.00 10.23 ? 171 HIS B N 1
ATOM 1318 C CA . HIS A 1 173 ? 12.107 0.691 33.874 1.00 10.48 ? 171 HIS B CA 1
ATOM 1319 C C . HIS A 1 173 ? 11.371 1.902 34.442 1.00 12.37 ? 171 HIS B C 1
ATOM 1320 O O . HIS A 1 173 ? 10.686 1.786 35.461 1.00 10.97 ? 171 HIS B O 1
ATOM 1321 C CB . HIS A 1 173 ? 12.959 0.088 34.993 1.00 11.92 ? 171 HIS B CB 1
ATOM 1322 C CG . HIS A 1 173 ? 13.672 -1.169 34.605 1.00 14.95 ? 171 HIS B CG 1
ATOM 1323 N ND1 . HIS A 1 173 ? 13.195 -2.423 34.923 1.00 16.21 ? 171 HIS B ND1 1
ATOM 1324 C CD2 . HIS A 1 173 ? 14.828 -1.366 33.926 1.00 13.49 ? 171 HIS B CD2 1
ATOM 1325 C CE1 . HIS A 1 173 ? 14.029 -3.338 34.458 1.00 14.78 ? 171 HIS B CE1 1
ATOM 1326 N NE2 . HIS A 1 173 ? 15.027 -2.723 33.850 1.00 15.46 ? 171 HIS B NE2 1
ATOM 1327 N N . GLY A 1 174 ? 11.519 3.060 33.804 1.00 11.51 ? 172 GLY B N 1
ATOM 1328 C CA . GLY A 1 174 ? 10.851 4.253 34.295 1.00 12.30 ? 172 GLY B CA 1
ATOM 1329 C C . GLY A 1 174 ? 11.526 4.852 35.522 1.00 13.25 ? 172 GLY B C 1
ATOM 1330 O O . GLY A 1 174 ? 10.905 5.598 36.285 1.00 11.33 ? 172 GLY B O 1
ATOM 1331 N N . VAL A 1 175 ? 12.801 4.525 35.711 1.00 11.66 ? 173 VAL B N 1
ATOM 1332 C CA . VAL A 1 175 ? 13.582 5.030 36.836 1.00 12.71 ? 173 VAL B CA 1
ATOM 1333 C C . VAL A 1 175 ? 14.854 5.658 36.268 1.00 13.53 ? 173 VAL B C 1
ATOM 1334 O O . VAL A 1 175 ? 15.663 4.975 35.651 1.00 14.00 ? 173 VAL B O 1
ATOM 1335 C CB . VAL A 1 175 ? 13.967 3.888 37.805 1.00 14.22 ? 173 VAL B CB 1
ATOM 1336 C CG1 . VAL A 1 175 ? 14.793 4.433 38.958 1.00 14.82 ? 173 VAL B CG1 1
ATOM 1337 C CG2 . VAL A 1 175 ? 12.709 3.212 38.336 1.00 15.40 ? 173 VAL B CG2 1
ATOM 1338 N N . GLU A 1 176 ? 15.025 6.958 36.485 1.00 13.56 ? 174 GLU B N 1
ATOM 1339 C CA . GLU A 1 176 ? 16.180 7.672 35.958 1.00 14.48 ? 174 GLU B CA 1
ATOM 1340 C C . GLU A 1 176 ? 17.544 7.087 36.296 1.00 15.00 ? 174 GLU B C 1
ATOM 1341 O O . GLU A 1 176 ? 18.398 6.974 35.417 1.00 12.51 ? 174 GLU B O 1
ATOM 1342 C CB . GLU A 1 176 ? 16.109 9.146 36.374 1.00 15.27 ? 174 GLU B CB 1
ATOM 1343 C CG . GLU A 1 176 ? 15.000 9.891 35.623 1.00 15.13 ? 174 GLU B CG 1
ATOM 1344 C CD . GLU A 1 176 ? 14.530 11.151 36.320 1.00 18.32 ? 174 GLU B CD 1
ATOM 1345 O OE1 . GLU A 1 176 ? 15.143 12.224 36.118 1.00 11.94 ? 174 GLU B OE1 1
ATOM 1346 O OE2 . GLU A 1 176 ? 13.536 11.057 37.078 1.00 19.46 ? 174 GLU B OE2 1
ATOM 1347 N N . GLN A 1 177 ? 17.757 6.693 37.547 1.00 13.37 ? 175 GLN B N 1
ATOM 1348 C CA . GLN A 1 177 ? 19.061 6.149 37.915 1.00 15.21 ? 175 GLN B CA 1
ATOM 1349 C C . GLN A 1 177 ? 19.371 4.839 37.196 1.00 15.83 ? 175 GLN B C 1
ATOM 1350 O O . GLN A 1 177 ? 20.499 4.614 36.744 1.00 13.56 ? 175 GLN B O 1
ATOM 1351 C CB . GLN A 1 177 ? 19.155 5.952 39.431 1.00 17.53 ? 175 GLN B CB 1
ATOM 1352 C CG . GLN A 1 177 ? 20.524 5.484 39.889 1.00 22.96 ? 175 GLN B CG 1
ATOM 1353 C CD . GLN A 1 177 ? 20.725 5.634 41.381 1.00 27.23 ? 175 GLN B CD 1
ATOM 1354 O OE1 . GLN A 1 177 ? 20.686 6.745 41.919 1.00 29.08 ? 175 GLN B OE1 1
ATOM 1355 N NE2 . GLN A 1 177 ? 20.946 4.516 42.061 1.00 31.22 ? 175 GLN B NE2 1
ATOM 1356 N N . ARG A 1 178 ? 18.365 3.978 37.082 1.00 15.74 ? 176 ARG B N 1
ATOM 1357 C CA . ARG A 1 178 ? 18.545 2.700 36.411 1.00 16.03 ? 176 ARG B CA 1
ATOM 1358 C C . ARG A 1 178 ? 18.931 2.883 34.941 1.00 14.78 ? 176 ARG B C 1
ATOM 1359 O O . ARG A 1 178 ? 19.789 2.162 34.433 1.00 13.14 ? 176 ARG B O 1
ATOM 1360 C CB . ARG A 1 178 ? 17.263 1.870 36.505 1.00 18.48 ? 176 ARG B CB 1
ATOM 1361 C CG . ARG A 1 178 ? 17.320 0.576 35.713 1.00 23.80 ? 176 ARG B CG 1
ATOM 1362 C CD . ARG A 1 178 ? 17.525 -0.642 36.596 1.00 28.90 ? 176 ARG B CD 1
ATOM 1363 N NE . ARG A 1 178 ? 16.311 -1.022 37.313 1.00 30.10 ? 176 ARG B NE 1
ATOM 1364 C CZ . ARG A 1 178 ? 15.908 -2.278 37.483 1.00 30.37 ? 176 ARG B CZ 1
ATOM 1365 N NH1 . ARG A 1 178 ? 16.616 -3.281 36.984 1.00 32.56 ? 176 ARG B NH1 1
ATOM 1366 N NH2 . ARG A 1 178 ? 14.799 -2.535 38.161 1.00 30.07 ? 176 ARG B NH2 1
ATOM 1367 N N . LEU A 1 179 ? 18.298 3.840 34.262 1.00 12.70 ? 177 LEU B N 1
ATOM 1368 C CA . LEU A 1 179 ? 18.594 4.080 32.850 1.00 13.33 ? 177 LEU B CA 1
ATOM 1369 C C . LEU A 1 179 ? 19.984 4.686 32.676 1.00 14.25 ? 177 LEU B C 1
ATOM 1370 O O . LEU A 1 179 ? 20.675 4.405 31.697 1.00 14.28 ? 177 LEU B O 1
ATOM 1371 C CB . LEU A 1 179 ? 17.539 5.001 32.230 1.00 14.01 ? 177 LEU B CB 1
ATOM 1372 C CG . LEU A 1 179 ? 17.609 5.182 30.708 1.00 15.45 ? 177 LEU B CG 1
ATOM 1373 C CD1 . LEU A 1 179 ? 17.578 3.822 30.022 1.00 16.10 ? 177 LEU B CD1 1
ATOM 1374 C CD2 . LEU A 1 179 ? 16.442 6.038 30.239 1.00 16.39 ? 177 LEU B CD2 1
ATOM 1375 N N . GLU A 1 180 ? 20.391 5.517 33.631 1.00 13.38 ? 178 GLU B N 1
ATOM 1376 C CA . GLU A 1 180 ? 21.710 6.144 33.593 1.00 12.46 ? 178 GLU B CA 1
ATOM 1377 C C . GLU A 1 180 ? 22.792 5.070 33.633 1.00 13.39 ? 178 GLU B C 1
ATOM 1378 O O . GLU A 1 180 ? 23.798 5.160 32.927 1.00 12.86 ? 178 GLU B O 1
ATOM 1379 C CB . GLU A 1 180 ? 21.869 7.091 34.787 1.00 13.26 ? 178 GLU B CB 1
ATOM 1380 C CG . GLU A 1 180 ? 23.280 7.643 35.011 1.00 16.22 ? 178 GLU B CG 1
ATOM 1381 C CD . GLU A 1 180 ? 23.841 8.376 33.805 1.00 18.60 ? 178 GLU B CD 1
ATOM 1382 O OE1 . GLU A 1 180 ? 23.050 8.983 33.053 1.00 16.56 ? 178 GLU B OE1 1
ATOM 1383 O OE2 . GLU A 1 180 ? 25.080 8.358 33.621 1.00 18.05 ? 178 GLU B OE2 1
ATOM 1384 N N . GLU A 1 181 ? 22.584 4.052 34.464 1.00 13.35 ? 179 GLU B N 1
ATOM 1385 C CA . GLU A 1 181 ? 23.545 2.962 34.583 1.00 14.62 ? 179 GLU B CA 1
ATOM 1386 C C . GLU A 1 181 ? 23.673 2.220 33.256 1.00 14.69 ? 179 GLU B C 1
ATOM 1387 O O . GLU A 1 181 ? 24.768 1.835 32.851 1.00 13.85 ? 179 GLU B O 1
ATOM 1388 C CB . GLU A 1 181 ? 23.111 1.985 35.677 1.00 18.63 ? 179 GLU B CB 1
ATOM 1389 C CG . GLU A 1 181 ? 24.135 0.896 35.962 1.00 24.48 ? 179 GLU B CG 1
ATOM 1390 C CD . GLU A 1 181 ? 23.706 -0.040 37.078 1.00 28.20 ? 179 GLU B CD 1
ATOM 1391 O OE1 . GLU A 1 181 ? 23.214 0.455 38.119 1.00 29.53 ? 179 GLU B OE1 1
ATOM 1392 O OE2 . GLU A 1 181 ? 23.874 -1.270 36.919 1.00 29.37 ? 179 GLU B OE2 1
ATOM 1393 N N . GLN A 1 182 ? 22.545 2.014 32.586 1.00 13.65 ? 180 GLN B N 1
ATOM 1394 C CA . GLN A 1 182 ? 22.536 1.324 31.299 1.00 13.64 ? 180 GLN B CA 1
ATOM 1395 C C . GLN A 1 182 ? 23.270 2.181 30.268 1.00 13.77 ? 180 GLN B C 1
ATOM 1396 O O . GLN A 1 182 ? 24.018 1.666 29.429 1.00 14.41 ? 180 GLN B O 1
ATOM 1397 C CB . GLN A 1 182 ? 21.092 1.084 30.844 1.00 15.19 ? 180 GLN B CB 1
ATOM 1398 C CG . GLN A 1 182 ? 20.295 0.167 31.759 1.00 17.93 ? 180 GLN B CG 1
ATOM 1399 C CD . GLN A 1 182 ? 18.804 0.193 31.465 1.00 19.52 ? 180 GLN B CD 1
ATOM 1400 O OE1 . GLN A 1 182 ? 18.191 1.258 31.412 1.00 19.63 ? 180 GLN B OE1 1
ATOM 1401 N NE2 . GLN A 1 182 ? 18.214 -0.983 31.278 1.00 19.92 ? 180 GLN B NE2 1
ATOM 1402 N N . LEU A 1 183 ? 23.053 3.491 30.338 1.00 11.96 ? 181 LEU B N 1
ATOM 1403 C CA . LEU A 1 183 ? 23.692 4.423 29.417 1.00 12.53 ? 181 LEU B CA 1
ATOM 1404 C C . LEU A 1 183 ? 25.199 4.408 29.618 1.00 14.09 ? 181 LEU B C 1
ATOM 1405 O O . LEU A 1 183 ? 25.970 4.449 28.657 1.00 14.22 ? 181 LEU B O 1
ATOM 1406 C CB . LEU A 1 183 ? 23.150 5.840 29.630 1.00 13.94 ? 181 LEU B CB 1
ATOM 1407 C CG . LEU A 1 183 ? 21.681 6.043 29.241 1.00 16.45 ? 181 LEU B CG 1
ATOM 1408 C CD1 . LEU A 1 183 ? 21.250 7.472 29.551 1.00 15.93 ? 181 LEU B CD1 1
ATOM 1409 C CD2 . LEU A 1 183 ? 21.500 5.741 27.759 1.00 20.59 ? 181 LEU B CD2 1
ATOM 1410 N N . GLU A 1 184 ? 25.615 4.347 30.876 1.00 12.59 ? 182 GLU B N 1
ATOM 1411 C CA . GLU A 1 184 ? 27.035 4.320 31.190 1.00 13.72 ? 182 GLU B CA 1
ATOM 1412 C C . GLU A 1 184 ? 27.676 3.040 30.668 1.00 14.39 ? 182 GLU B C 1
ATOM 1413 O O . GLU A 1 184 ? 28.823 3.058 30.215 1.00 14.66 ? 182 GLU B O 1
ATOM 1414 C CB . GLU A 1 184 ? 27.237 4.462 32.700 1.00 14.09 ? 182 GLU B CB 1
ATOM 1415 C CG . GLU A 1 184 ? 27.007 5.888 33.190 1.00 16.16 ? 182 GLU B CG 1
ATOM 1416 C CD . GLU A 1 184 ? 27.052 6.017 34.699 1.00 18.50 ? 182 GLU B CD 1
ATOM 1417 O OE1 . GLU A 1 184 ? 27.655 5.142 35.357 1.00 21.22 ? 182 GLU B OE1 1
ATOM 1418 O OE2 . GLU A 1 184 ? 26.496 7.005 35.227 1.00 17.98 ? 182 GLU B OE2 1
ATOM 1419 N N . ASN A 1 185 ? 26.947 1.928 30.726 1.00 14.22 ? 183 ASN B N 1
ATOM 1420 C CA . ASN A 1 185 ? 27.476 0.665 30.217 1.00 17.55 ? 183 ASN B CA 1
ATOM 1421 C C . ASN A 1 185 ? 27.681 0.763 28.709 1.00 18.26 ? 183 ASN B C 1
ATOM 1422 O O . ASN A 1 185 ? 28.722 0.367 28.181 1.00 18.19 ? 183 ASN B O 1
ATOM 1423 C CB . ASN A 1 185 ? 26.516 -0.490 30.495 1.00 21.54 ? 183 ASN B CB 1
ATOM 1424 C CG . ASN A 1 185 ? 26.555 -0.952 31.928 1.00 24.36 ? 183 ASN B CG 1
ATOM 1425 O OD1 . ASN A 1 185 ? 27.621 -1.040 32.534 1.00 28.58 ? 183 ASN B OD1 1
ATOM 1426 N ND2 . ASN A 1 185 ? 25.389 -1.276 32.476 1.00 27.39 ? 183 ASN B ND2 1
ATOM 1427 N N . LEU A 1 186 ? 26.680 1.298 28.019 1.00 16.82 ? 184 LEU B N 1
ATOM 1428 C CA . LEU A 1 186 ? 26.745 1.435 26.570 1.00 18.08 ? 184 LEU B CA 1
ATOM 1429 C C . LEU A 1 186 ? 27.851 2.395 26.145 1.00 17.49 ? 184 LEU B C 1
ATOM 1430 O O . LEU A 1 186 ? 28.585 2.122 25.192 1.00 15.28 ? 184 LEU B O 1
ATOM 1431 C CB . LEU A 1 186 ? 25.389 1.901 26.030 1.00 19.09 ? 184 LEU B CB 1
ATOM 1432 C CG . LEU A 1 186 ? 25.142 1.762 24.525 1.00 21.30 ? 184 LEU B CG 1
ATOM 1433 C CD1 . LEU A 1 186 ? 25.548 0.373 24.044 1.00 22.93 ? 184 LEU B CD1 1
ATOM 1434 C CD2 . LEU A 1 186 ? 23.667 2.012 24.246 1.00 21.31 ? 184 LEU B CD2 1
ATOM 1435 N N . ILE A 1 187 ? 27.973 3.513 26.856 1.00 15.01 ? 185 ILE B N 1
ATOM 1436 C CA . ILE A 1 187 ? 29.007 4.498 26.552 1.00 16.55 ? 185 ILE B CA 1
ATOM 1437 C C . ILE A 1 187 ? 30.400 3.865 26.625 1.00 17.12 ? 185 ILE B C 1
ATOM 1438 O O . ILE A 1 187 ? 31.251 4.113 25.771 1.00 14.78 ? 185 ILE B O 1
ATOM 1439 C CB . ILE A 1 187 ? 28.939 5.703 27.527 1.00 16.36 ? 185 ILE B CB 1
ATOM 1440 C CG1 . ILE A 1 187 ? 27.843 6.674 27.078 1.00 18.42 ? 185 ILE B CG1 1
ATOM 1441 C CG2 . ILE A 1 187 ? 30.281 6.415 27.595 1.00 17.16 ? 185 ILE B CG2 1
ATOM 1442 C CD1 . ILE A 1 187 ? 28.158 7.414 25.779 1.00 20.15 ? 185 ILE B CD1 1
ATOM 1443 N N . GLU A 1 188 ? 30.641 3.046 27.643 1.00 17.52 ? 186 GLU B N 1
ATOM 1444 C CA . GLU A 1 188 ? 31.953 2.419 27.759 1.00 19.34 ? 186 GLU B CA 1
ATOM 1445 C C . GLU A 1 188 ? 32.172 1.394 26.648 1.00 19.58 ? 186 GLU B C 1
ATOM 1446 O O . GLU A 1 188 ? 33.303 1.145 26.237 1.00 17.89 ? 186 GLU B O 1
ATOM 1447 C CB . GLU A 1 188 ? 32.128 1.784 29.143 1.00 20.68 ? 186 GLU B CB 1
ATOM 1448 C CG . GLU A 1 188 ? 32.144 2.812 30.283 1.00 23.47 ? 186 GLU B CG 1
ATOM 1449 C CD . GLU A 1 188 ? 33.072 3.999 30.016 1.00 23.83 ? 186 GLU B CD 1
ATOM 1450 O OE1 . GLU A 1 188 ? 32.572 5.138 29.901 1.00 26.27 ? 186 GLU B OE1 1
ATOM 1451 O OE2 . GLU A 1 188 ? 34.300 3.801 29.919 1.00 22.44 ? 186 GLU B OE2 1
ATOM 1452 N N . PHE A 1 189 ? 31.088 0.810 26.149 1.00 18.06 ? 187 PHE B N 1
ATOM 1453 C CA . PHE A 1 189 ? 31.194 -0.155 25.060 1.00 18.92 ? 187 PHE B CA 1
ATOM 1454 C C . PHE A 1 189 ? 31.589 0.618 23.800 1.00 19.14 ? 187 PHE B C 1
ATOM 1455 O O . PHE A 1 189 ? 32.492 0.219 23.065 1.00 18.60 ? 187 PHE B O 1
ATOM 1456 C CB . PHE A 1 189 ? 29.851 -0.862 24.838 1.00 19.88 ? 187 PHE B CB 1
ATOM 1457 C CG . PHE A 1 189 ? 29.832 -1.774 23.640 1.00 22.14 ? 187 PHE B CG 1
ATOM 1458 C CD1 . PHE A 1 189 ? 30.481 -3.005 23.668 1.00 23.04 ? 187 PHE B CD1 1
ATOM 1459 C CD2 . PHE A 1 189 ? 29.166 -1.394 22.476 1.00 22.57 ? 187 PHE B CD2 1
ATOM 1460 C CE1 . PHE A 1 189 ? 30.469 -3.848 22.553 1.00 22.56 ? 187 PHE B CE1 1
ATOM 1461 C CE2 . PHE A 1 189 ? 29.148 -2.225 21.359 1.00 23.88 ? 187 PHE B CE2 1
ATOM 1462 C CZ . PHE A 1 189 ? 29.802 -3.456 21.398 1.00 24.38 ? 187 PHE B CZ 1
ATOM 1463 N N . ILE A 1 190 ? 30.910 1.737 23.565 1.00 17.43 ? 188 ILE B N 1
ATOM 1464 C CA . ILE A 1 190 ? 31.188 2.573 22.404 1.00 16.91 ? 188 ILE B CA 1
ATOM 1465 C C . ILE A 1 190 ? 32.623 3.091 22.430 1.00 18.08 ? 188 ILE B C 1
ATOM 1466 O O . ILE A 1 190 ? 33.312 3.091 21.407 1.00 17.07 ? 188 ILE B O 1
ATOM 1467 C CB . ILE A 1 190 ? 30.224 3.770 22.352 1.00 18.00 ? 188 ILE B CB 1
ATOM 1468 C CG1 . ILE A 1 190 ? 28.796 3.266 22.113 1.00 17.26 ? 188 ILE B CG1 1
ATOM 1469 C CG2 . ILE A 1 190 ? 30.657 4.748 21.267 1.00 17.12 ? 188 ILE B CG2 1
ATOM 1470 C CD1 . ILE A 1 190 ? 27.727 4.336 22.277 1.00 15.98 ? 188 ILE B CD1 1
ATOM 1471 N N . ARG A 1 191 ? 33.070 3.528 23.602 1.00 16.87 ? 189 ARG B N 1
ATOM 1472 C CA . ARG A 1 191 ? 34.420 4.052 23.748 1.00 18.91 ? 189 ARG B CA 1
ATOM 1473 C C . ARG A 1 191 ? 35.502 3.034 23.402 1.00 18.77 ? 189 ARG B C 1
ATOM 1474 O O . ARG A 1 191 ? 36.569 3.398 22.897 1.00 18.60 ? 189 ARG B O 1
ATOM 1475 C CB . ARG A 1 191 ? 34.630 4.572 25.174 1.00 17.08 ? 189 ARG B CB 1
ATOM 1476 C CG . ARG A 1 191 ? 33.922 5.890 25.456 1.00 19.86 ? 189 ARG B CG 1
ATOM 1477 C CD . ARG A 1 191 ? 34.092 6.297 26.908 1.00 19.01 ? 189 ARG B CD 1
ATOM 1478 N NE . ARG A 1 191 ? 35.498 6.447 27.269 1.00 21.25 ? 189 ARG B NE 1
ATOM 1479 C CZ . ARG A 1 191 ? 36.131 7.611 27.359 1.00 20.26 ? 189 ARG B CZ 1
ATOM 1480 N NH1 . ARG A 1 191 ? 35.480 8.742 27.118 1.00 22.97 ? 189 ARG B NH1 1
ATOM 1481 N NH2 . ARG A 1 191 ? 37.415 7.646 27.690 1.00 20.70 ? 189 ARG B NH2 1
ATOM 1482 N N . SER A 1 192 ? 35.231 1.760 23.663 1.00 19.43 ? 190 SER B N 1
ATOM 1483 C CA . SER A 1 192 ? 36.208 0.718 23.370 1.00 22.62 ? 190 SER B CA 1
ATOM 1484 C C . SER A 1 192 ? 36.470 0.645 21.866 1.00 24.53 ? 190 SER B C 1
ATOM 1485 O O . SER A 1 192 ? 37.459 0.055 21.431 1.00 23.39 ? 190 SER B O 1
ATOM 1486 C CB . SER A 1 192 ? 35.710 -0.641 23.863 1.00 22.77 ? 190 SER B CB 1
ATOM 1487 O OG . SER A 1 192 ? 34.629 -1.103 23.070 1.00 25.17 ? 190 SER B OG 1
ATOM 1488 N N . ARG A 1 193 ? 35.576 1.245 21.084 1.00 24.98 ? 191 ARG B N 1
ATOM 1489 C CA . ARG A 1 193 ? 35.695 1.255 19.630 1.00 26.12 ? 191 ARG B CA 1
ATOM 1490 C C . ARG A 1 193 ? 36.426 2.484 19.103 1.00 25.19 ? 191 ARG B C 1
ATOM 1491 O O . ARG A 1 193 ? 36.679 2.593 17.902 1.00 24.98 ? 191 ARG B O 1
ATOM 1492 C CB . ARG A 1 193 ? 34.308 1.186 18.984 1.00 28.01 ? 191 ARG B CB 1
ATOM 1493 C CG . ARG A 1 193 ? 33.827 -0.224 18.686 1.00 31.25 ? 191 ARG B CG 1
ATOM 1494 C CD . ARG A 1 193 ? 33.812 -1.096 19.926 1.00 33.87 ? 191 ARG B CD 1
ATOM 1495 N NE . ARG A 1 193 ? 33.440 -2.471 19.605 1.00 36.72 ? 191 ARG B NE 1
ATOM 1496 C CZ . ARG A 1 193 ? 33.419 -3.468 20.484 1.00 37.28 ? 191 ARG B CZ 1
ATOM 1497 N NH1 . ARG A 1 193 ? 33.750 -3.248 21.750 1.00 37.58 ? 191 ARG B NH1 1
ATOM 1498 N NH2 . ARG A 1 193 ? 33.069 -4.686 20.094 1.00 38.23 ? 191 ARG B NH2 1
ATOM 1499 N N . LEU A 1 194 ? 36.762 3.405 19.999 1.00 24.99 ? 192 LEU B N 1
ATOM 1500 C CA . LEU A 1 194 ? 37.456 4.627 19.616 1.00 25.26 ? 192 LEU B CA 1
ATOM 1501 C C . LEU A 1 194 ? 38.935 4.590 19.990 1.00 27.51 ? 192 LEU B C 1
ATOM 1502 O O . LEU A 1 194 ? 39.679 5.525 19.687 1.00 27.59 ? 192 LEU B O 1
ATOM 1503 C CB . LEU A 1 194 ? 36.787 5.836 20.276 1.00 25.53 ? 192 LEU B CB 1
ATOM 1504 C CG . LEU A 1 194 ? 35.346 6.110 19.838 1.00 25.06 ? 192 LEU B CG 1
ATOM 1505 C CD1 . LEU A 1 194 ? 34.738 7.207 20.699 1.00 26.41 ? 192 LEU B CD1 1
ATOM 1506 C CD2 . LEU A 1 194 ? 35.330 6.506 18.369 1.00 26.24 ? 192 LEU B CD2 1
ATOM 1507 N N . LYS A 1 195 ? 39.355 3.512 20.647 1.00 29.04 ? 193 LYS B N 1
ATOM 1508 C CA . LYS A 1 195 ? 40.748 3.361 21.055 1.00 31.49 ? 193 LYS B CA 1
ATOM 1509 C C . LYS A 1 195 ? 41.660 3.204 19.844 1.00 32.97 ? 193 LYS B C 1
ATOM 1510 O O . LYS A 1 195 ? 41.244 2.514 18.891 1.00 34.57 ? 193 LYS B O 1
ATOM 1511 C CB . LYS A 1 195 ? 40.906 2.140 21.967 1.00 32.87 ? 193 LYS B CB 1
ATOM 1512 C CG . LYS A 1 195 ? 40.543 2.383 23.427 1.00 33.61 ? 193 LYS B CG 1
ATOM 1513 C CD . LYS A 1 195 ? 40.904 1.177 24.290 1.00 34.44 ? 193 LYS B CD 1
ATOM 1514 C CE . LYS A 1 195 ? 39.830 0.102 24.232 1.00 35.95 ? 193 LYS B CE 1
ATOM 1515 N NZ . LYS A 1 195 ? 40.364 -1.252 24.553 1.00 35.87 ? 193 LYS B NZ 1
HETATM 1516 S S . SO4 B 2 . ? 11.042 8.945 23.460 1.00 11.61 ? 201 SO4 B S 1
HETATM 1517 O O1 . SO4 B 2 . ? 12.176 9.391 24.286 1.00 11.22 ? 201 SO4 B O1 1
HETATM 1518 O O2 . SO4 B 2 . ? 11.567 8.203 22.295 1.00 14.75 ? 201 SO4 B O2 1
HETATM 1519 O O3 . SO4 B 2 . ? 10.161 8.079 24.257 1.00 11.05 ? 201 SO4 B O3 1
HETATM 1520 O O4 . SO4 B 2 . ? 10.267 10.102 22.982 1.00 13.06 ? 201 SO4 B O4 1
HETATM 1521 S S . SO4 C 2 . ? 18.663 -3.592 33.714 1.00 30.47 ? 202 SO4 B S 1
HETATM 1522 O O1 . SO4 C 2 . ? 20.020 -3.587 33.144 1.00 33.80 ? 202 SO4 B O1 1
HETATM 1523 O O2 . SO4 C 2 . ? 17.673 -3.589 32.623 1.00 31.79 ? 202 SO4 B O2 1
HETATM 1524 O O3 . SO4 C 2 . ? 18.486 -4.792 34.549 1.00 32.20 ? 202 SO4 B O3 1
HETATM 1525 O O4 . SO4 C 2 . ? 18.479 -2.392 34.539 1.00 30.81 ? 202 SO4 B O4 1
HETATM 1526 C C1 . MPD D 3 . ? 13.652 8.541 30.731 1.00 19.04 ? 203 MPD B C1 1
HETATM 1527 C C2 . MPD D 3 . ? 12.680 7.845 31.737 1.00 22.20 ? 203 MPD B C2 1
HETATM 1528 O O2 . MPD D 3 . ? 11.638 7.169 31.021 1.00 17.41 ? 203 MPD B O2 1
HETATM 1529 C CM . MPD D 3 . ? 13.460 6.844 32.521 1.00 22.29 ? 203 MPD B CM 1
HETATM 1530 C C3 . MPD D 3 . ? 12.024 9.022 32.510 1.00 22.14 ? 203 MPD B C3 1
HETATM 1531 C C4 . MPD D 3 . ? 10.900 8.788 33.591 1.00 24.74 ? 203 MPD B C4 1
HETATM 1532 O O4 . MPD D 3 . ? 10.569 7.344 33.624 1.00 23.42 ? 203 MPD B O4 1
HETATM 1533 C C5 . MPD D 3 . ? 11.417 9.087 35.066 1.00 23.03 ? 203 MPD B C5 1
HETATM 1534 C C1 . MPD E 3 . ? 22.611 -1.390 27.712 1.00 33.59 ? 204 MPD B C1 1
HETATM 1535 C C2 . MPD E 3 . ? 23.595 -2.529 28.018 1.00 34.70 ? 204 MPD B C2 1
HETATM 1536 O O2 . MPD E 3 . ? 23.668 -2.730 29.445 1.00 33.24 ? 204 MPD B O2 1
HETATM 1537 C CM . MPD E 3 . ? 23.112 -3.795 27.386 1.00 32.19 ? 204 MPD B CM 1
HETATM 1538 C C3 . MPD E 3 . ? 24.981 -1.992 27.583 1.00 34.45 ? 204 MPD B C3 1
HETATM 1539 C C4 . MPD E 3 . ? 26.269 -2.877 27.762 1.00 36.03 ? 204 MPD B C4 1
HETATM 1540 O O4 . MPD E 3 . ? 25.930 -4.063 28.537 1.00 37.64 ? 204 MPD B O4 1
HETATM 1541 C C5 . MPD E 3 . ? 26.752 -3.421 26.365 1.00 35.82 ? 204 MPD B C5 1
HETATM 1542 O O . HOH F 4 . ? 8.786 -2.827 16.114 1.00 9.52 ? 205 HOH B O 1
HETATM 1543 O O . HOH F 4 . ? 8.562 -0.378 24.216 1.00 9.57 ? 206 HOH B O 1
HETATM 1544 O O . HOH F 4 . ? 10.744 5.631 22.466 1.00 10.20 ? 207 HOH B O 1
HETATM 1545 O O . HOH F 4 . ? 24.893 16.549 1.474 1.00 10.84 ? 208 HOH B O 1
HETATM 1546 O O . HOH F 4 . ? 9.963 -1.207 21.966 1.00 9.39 ? 209 HOH B O 1
HETATM 1547 O O . HOH F 4 . ? 8.886 -0.736 14.098 1.00 10.43 ? 210 HOH B O 1
HETATM 1548 O O . HOH F 4 . ? 8.912 5.118 28.625 1.00 10.64 ? 211 HOH B O 1
HETATM 1549 O O . HOH F 4 . ? 14.301 2.820 5.536 1.00 11.03 ? 212 HOH B O 1
HETATM 1550 O O . HOH F 4 . ? 12.066 1.971 8.285 1.00 13.36 ? 213 HOH B O 1
HETATM 1551 O O . HOH F 4 . ? 15.167 -0.808 4.787 1.00 11.05 ? 214 HOH B O 1
HETATM 1552 O O . HOH F 4 . ? 3.887 -4.588 27.502 1.00 13.09 ? 215 HOH B O 1
HETATM 1553 O O . HOH F 4 . ? 5.478 -2.311 26.957 1.00 13.58 ? 216 HOH B O 1
HETATM 1554 O O . HOH F 4 . ? 16.077 2.634 3.424 1.00 11.61 ? 217 HOH B O 1
HETATM 1555 O O . HOH F 4 . ? 11.216 -7.953 19.509 1.00 18.54 ? 218 HOH B O 1
HETATM 1556 O O . HOH F 4 . ? 12.110 2.528 15.971 1.00 12.55 ? 219 HOH B O 1
HETATM 1557 O O . HOH F 4 . ? 18.880 12.088 27.569 1.00 11.91 ? 220 HOH B O 1
HETATM 1558 O O . HOH F 4 . ? 2.974 -1.056 19.144 1.00 11.34 ? 221 HOH B O 1
HETATM 1559 O O . HOH F 4 . ? 11.470 -5.588 6.513 1.00 17.41 ? 222 HOH B O 1
HETATM 1560 O O . HOH F 4 . ? 17.294 12.056 34.428 1.00 16.74 ? 223 HOH B O 1
HETATM 1561 O O . HOH F 4 . ? 3.709 1.630 19.734 1.00 14.67 ? 224 HOH B O 1
HETATM 1562 O O . HOH F 4 . ? 17.332 -1.774 15.796 1.00 13.58 ? 225 HOH B O 1
HETATM 1563 O O . HOH F 4 . ? 18.499 -3.557 29.590 1.00 20.00 ? 226 HOH B O 1
HETATM 1564 O O . HOH F 4 . ? 10.666 -0.034 16.285 1.00 15.50 ? 227 HOH B O 1
HETATM 1565 O O . HOH F 4 . ? 17.068 18.113 22.948 1.00 21.95 ? 228 HOH B O 1
HETATM 1566 O O . HOH F 4 . ? 8.107 8.733 21.567 1.00 18.32 ? 229 HOH B O 1
HETATM 1567 O O . HOH F 4 . ? 15.949 8.265 19.180 1.00 22.51 ? 230 HOH B O 1
HETATM 1568 O O . HOH F 4 . ? 14.811 3.024 33.947 1.00 18.59 ? 231 HOH B O 1
HETATM 1569 O O . HOH F 4 . ? 7.822 4.309 5.443 1.00 19.31 ? 232 HOH B O 1
HETATM 1570 O O . HOH F 4 . ? 20.677 9.900 32.284 1.00 20.43 ? 233 HOH B O 1
HETATM 1571 O O . HOH F 4 . ? 11.348 5.018 16.009 1.00 23.08 ? 234 HOH B O 1
HETATM 1572 O O . HOH F 4 . ? 28.024 14.756 1.474 1.00 15.74 ? 235 HOH B O 1
HETATM 1573 O O . HOH F 4 . ? 9.801 7.569 29.167 1.00 23.42 ? 236 HOH B O 1
HETATM 1574 O O . HOH F 4 . ? 16.215 1.117 33.104 1.00 17.82 ? 237 HOH B O 1
HETATM 1575 O O . HOH F 4 . ? 7.997 7.303 31.677 1.00 23.89 ? 238 HOH B O 1
HETATM 1576 O O . HOH F 4 . ? -1.630 6.780 29.348 1.00 17.71 ? 239 HOH B O 1
HETATM 1577 O O . HOH F 4 . ? 2.160 -1.047 21.711 1.00 20.18 ? 240 HOH B O 1
HETATM 1578 O O . HOH F 4 . ? 4.006 9.234 20.043 1.00 20.07 ? 241 HOH B O 1
HETATM 1579 O O . HOH F 4 . ? -1.210 8.252 0.363 1.00 16.29 ? 242 HOH B O 1
HETATM 1580 O O . HOH F 4 . ? -0.953 8.146 22.772 1.00 16.34 ? 243 HOH B O 1
HETATM 1581 O O . HOH F 4 . ? 9.781 -5.334 9.277 1.00 19.52 ? 244 HOH B O 1
HETATM 1582 O O . HOH F 4 . ? 28.877 8.322 30.658 1.00 19.88 ? 245 HOH B O 1
HETATM 1583 O O . HOH F 4 . ? 17.426 17.723 20.109 1.00 31.30 ? 246 HOH B O 1
HETATM 1584 O O . HOH F 4 . ? 12.187 7.876 19.280 1.00 26.90 ? 247 HOH B O 1
HETATM 1585 O O . HOH F 4 . ? 15.104 -1.251 -6.841 1.00 28.40 ? 248 HOH B O 1
HETATM 1586 O O . HOH F 4 . ? 3.079 1.783 8.953 1.00 20.76 ? 249 HOH B O 1
HETATM 1587 O O . HOH F 4 . ? 21.887 -8.699 6.004 1.00 23.85 ? 250 HOH B O 1
HETATM 1588 O O . HOH F 4 . ? 8.892 4.501 17.650 1.00 25.64 ? 251 HOH B O 1
HETATM 1589 O O . HOH F 4 . ? 8.830 6.941 35.508 1.00 19.58 ? 252 HOH B O 1
HETATM 1590 O O . HOH F 4 . ? 20.688 -0.677 35.038 1.00 21.64 ? 253 HOH B O 1
HETATM 1591 O O . HOH F 4 . ? 33.536 0.719 8.424 1.00 20.66 ? 254 HOH B O 1
HETATM 1592 O O . HOH F 4 . ? 10.087 11.046 19.799 1.00 32.06 ? 255 HOH B O 1
HETATM 1593 O O . HOH F 4 . ? 31.337 10.236 2.617 1.00 26.58 ? 256 HOH B O 1
HETATM 1594 O O . HOH F 4 . ? 18.519 11.419 19.123 1.00 27.87 ? 257 HOH B O 1
HETATM 1595 O O . HOH F 4 . ? 18.470 9.007 33.540 1.00 29.29 ? 258 HOH B O 1
HETATM 1596 O O . HOH F 4 . ? 0.443 5.087 6.479 1.00 23.14 ? 259 HOH B O 1
HETATM 1597 O O . HOH F 4 . ? 35.169 1.619 30.639 1.00 23.67 ? 260 HOH B O 1
HETATM 1598 O O . HOH F 4 . ? -3.565 9.228 5.311 1.00 32.96 ? 261 HOH B O 1
HETATM 1599 O O . HOH F 4 . ? 7.421 -1.175 -4.323 1.00 34.16 ? 262 HOH B O 1
HETATM 1600 O O . HOH F 4 . ? 16.196 13.208 19.708 1.00 25.02 ? 263 HOH B O 1
HETATM 1601 O O . HOH F 4 . ? 12.877 10.189 13.130 1.00 25.98 ? 264 HOH B O 1
HETATM 1602 O O . HOH F 4 . ? 17.016 11.477 16.495 1.00 28.22 ? 265 HOH B O 1
HETATM 1603 O O . HOH F 4 . ? -2.657 3.047 28.061 1.00 20.47 ? 266 HOH B O 1
HETATM 1604 O O . HOH F 4 . ? 9.418 -8.142 13.047 1.00 22.50 ? 267 HOH B O 1
HETATM 1605 O O . HOH F 4 . ? 9.055 -0.998 3.878 1.00 26.96 ? 268 HOH B O 1
HETATM 1606 O O . HOH F 4 . ? 28.274 17.150 24.206 1.00 30.84 ? 269 HOH B O 1
HETATM 1607 O O . HOH F 4 . ? 32.111 7.326 0.107 1.00 35.69 ? 270 HOH B O 1
HETATM 1608 O O . HOH F 4 . ? 19.885 -9.501 10.773 1.00 37.40 ? 271 HOH B O 1
HETATM 1609 O O . HOH F 4 . ? 8.050 4.851 8.570 1.00 12.63 ? 272 HOH B O 1
HETATM 1610 O O . HOH F 4 . ? 6.413 -2.120 24.596 1.00 17.50 ? 273 HOH B O 1
HETATM 1611 O O . HOH F 4 . ? 11.808 7.874 15.779 1.00 25.43 ? 274 HOH B O 1
HETATM 1612 O O . HOH F 4 . ? 10.903 -3.071 4.295 1.00 24.83 ? 275 HOH B O 1
HETATM 1613 O O . HOH F 4 . ? 12.807 5.102 6.492 1.00 25.75 ? 276 HOH B O 1
HETATM 1614 O O . HOH F 4 . ? 1.091 -0.930 8.399 1.00 27.60 ? 277 HOH B O 1
HETATM 1615 O O . HOH F 4 . ? 14.108 13.852 10.699 1.00 31.86 ? 278 HOH B O 1
HETATM 1616 O O . HOH F 4 . ? 30.304 5.316 30.996 1.00 36.96 ? 279 HOH B O 1
HETATM 1617 O O . HOH F 4 . ? 25.881 -8.902 22.414 1.00 27.29 ? 280 HOH B O 1
HETATM 1618 O O . HOH F 4 . ? 14.866 2.975 -5.974 1.00 28.49 ? 281 HOH B O 1
HETATM 1619 O O . HOH F 4 . ? 11.300 7.579 12.059 1.00 31.37 ? 282 HOH B O 1
HETATM 1620 O O . HOH F 4 . ? -3.768 1.327 26.116 1.00 32.16 ? 283 HOH B O 1
HETATM 1621 O O . HOH F 4 . ? 30.178 -2.117 28.719 1.00 31.19 ? 284 HOH B O 1
HETATM 1622 O O . HOH F 4 . ? 21.081 -3.367 30.784 1.00 33.56 ? 285 HOH B O 1
HETATM 1623 O O . HOH F 4 . ? 35.807 10.779 8.463 1.00 36.84 ? 286 HOH B O 1
HETATM 1624 O O . HOH F 4 . ? 24.349 14.447 14.755 1.00 31.52 ? 287 HOH B O 1
HETATM 1625 O O . HOH F 4 . ? 10.209 -10.517 11.375 1.00 34.85 ? 288 HOH B O 1
HETATM 1626 O O . HOH F 4 . ? 20.341 11.910 9.150 1.00 29.72 ? 289 HOH B O 1
HETATM 1627 O O . HOH F 4 . ? 15.802 16.636 18.178 1.00 46.26 ? 290 HOH B O 1
HETATM 1628 O O . HOH F 4 . ? 0.413 -3.046 23.117 1.00 35.52 ? 291 HOH B O 1
HETATM 1629 O O . HOH F 4 . ? 1.082 3.956 8.875 1.00 29.78 ? 292 HOH B O 1
HETATM 1630 O O . HOH F 4 . ? 3.206 -1.229 26.049 1.00 30.45 ? 293 HOH B O 1
HETATM 1631 O O . HOH F 4 . ? 33.145 9.886 0.474 1.00 40.55 ? 294 HOH B O 1
HETATM 1632 O O . HOH F 4 . ? 12.315 -4.105 1.349 1.00 28.25 ? 295 HOH B O 1
HETATM 1633 O O . HOH F 4 . ? 22.722 11.913 8.057 1.00 42.44 ? 296 HOH B O 1
HETATM 1634 O O . HOH F 4 . ? 0.798 4.839 11.419 1.00 29.07 ? 297 HOH B O 1
HETATM 1635 O O . HOH F 4 . ? 38.560 -1.279 26.804 1.00 35.04 ? 298 HOH B O 1
HETATM 1636 O O . HOH F 4 . ? 3.140 -6.804 16.635 1.00 31.00 ? 299 HOH B O 1
HETATM 1637 O O . HOH F 4 . ? 44.053 1.218 18.749 1.00 34.69 ? 300 HOH B O 1
HETATM 1638 O O . HOH F 4 . ? 25.260 6.512 -0.619 1.00 33.36 ? 301 HOH B O 1
HETATM 1639 O O . HOH F 4 . ? 32.669 8.055 8.945 1.00 33.73 ? 302 HOH B O 1
HETATM 1640 O O . HOH F 4 . ? 12.406 4.632 9.957 1.00 27.67 ? 303 HOH B O 1
HETATM 1641 O O . HOH F 4 . ? 13.638 -0.273 38.820 1.00 38.25 ? 304 HOH B O 1
HETATM 1642 O O . HOH F 4 . ? 26.222 -9.535 19.798 1.00 30.80 ? 305 HOH B O 1
HETATM 1643 O O . HOH F 4 . ? 27.057 15.220 15.529 1.00 29.51 ? 306 HOH B O 1
HETATM 1644 O O . HOH F 4 . ? 2.362 1.584 0.188 1.00 30.19 ? 307 HOH B O 1
HETATM 1645 O O . HOH F 4 . ? 0.413 12.038 24.342 1.00 37.87 ? 308 HOH B O 1
HETATM 1646 O O . HOH F 4 . ? -3.512 8.797 29.082 1.00 36.85 ? 309 HOH B O 1
HETATM 1647 O O . HOH F 4 . ? 2.544 4.187 13.484 1.00 31.82 ? 310 HOH B O 1
HETATM 1648 O O . HOH F 4 . ? 40.420 -3.593 22.621 1.00 43.98 ? 311 HOH B O 1
HETATM 1649 O O . HOH F 4 . ? 30.534 2.514 1.117 1.00 35.63 ? 312 HOH B O 1
HETATM 1650 O O . HOH F 4 . ? 27.063 -7.914 11.274 1.00 37.41 ? 313 HOH B O 1
HETATM 1651 O O . HOH F 4 . ? 27.852 -7.188 14.165 1.00 37.56 ? 314 HOH B O 1
HETATM 1652 O O . HOH F 4 . ? 19.193 17.579 18.382 1.00 45.44 ? 315 HOH B O 1
HETATM 1653 O O . HOH F 4 . ? 21.480 -10.166 8.714 1.00 37.13 ? 316 HOH B O 1
HETATM 1654 O O . HOH F 4 . ? 31.303 9.825 29.322 1.00 39.00 ? 317 HOH B O 1
HETATM 1655 O O . HOH F 4 . ? 2.325 25.016 7.537 1.00 42.95 ? 318 HOH B O 1
HETATM 1656 O O . HOH F 4 . ? 24.397 -5.738 14.067 1.00 35.69 ? 319 HOH B O 1
HETATM 1657 O O . HOH F 4 . ? 16.374 14.960 9.886 1.00 39.79 ? 320 HOH B O 1
HETATM 1658 O O . HOH F 4 . ? 29.505 14.649 9.351 1.00 40.60 ? 321 HOH B O 1
HETATM 1659 O O . HOH F 4 . ? 13.711 5.495 -6.669 1.00 40.21 ? 322 HOH B O 1
HETATM 1660 O O . HOH F 4 . ? 26.103 -8.870 15.537 1.00 36.34 ? 323 HOH B O 1
HETATM 1661 O O . HOH F 4 . ? 31.092 17.751 24.008 1.00 39.52 ? 324 HOH B O 1
HETATM 1662 O O . HOH F 4 . ? 37.443 -0.055 16.519 1.00 44.36 ? 325 HOH B O 1
HETATM 1663 O O . HOH F 4 . ? 6.121 10.072 20.958 1.00 49.45 ? 326 HOH B O 1
HETATM 1664 O O . HOH F 4 . ? 36.310 12.639 6.857 1.00 46.66 ? 327 HOH B O 1
HETATM 1665 O O . HOH F 4 . ? -4.576 6.234 13.239 1.00 42.36 ? 328 HOH B O 1
HETATM 1666 O O . HOH F 4 . ? 9.956 -14.260 15.738 1.00 41.65 ? 329 HOH B O 1
HETATM 1667 O O . HOH F 4 . ? 1.941 14.125 24.429 1.00 45.47 ? 330 HOH B O 1
HETATM 1668 O O . HOH F 4 . ? 6.701 -2.032 4.006 1.00 42.61 ? 331 HOH B O 1
HETATM 1669 O O . HOH F 4 . ? -5.391 -3.476 16.157 1.00 39.32 ? 332 HOH B O 1
HETATM 1670 O O . HOH F 4 . ? 29.119 -7.622 4.793 1.00 36.61 ? 333 HOH B O 1
HETATM 1671 O O . HOH F 4 . ? 13.941 14.574 -7.854 1.00 38.95 ? 334 HOH B O 1
HETATM 1672 O O . HOH F 4 . ? -6.367 1.483 26.219 1.00 48.04 ? 335 HOH B O 1
HETATM 1673 O O . HOH F 4 . ? -6.198 6.000 21.506 1.00 40.84 ? 336 HOH B O 1
HETATM 1674 O O . HOH F 4 . ? 18.001 12.748 8.533 1.00 41.53 ? 337 HOH B O 1
HETATM 1675 O O . HOH F 4 . ? 21.365 2.111 38.697 1.00 40.57 ? 338 HOH B O 1
HETATM 1676 O O . HOH F 4 . ? 27.110 -8.799 8.531 1.00 43.24 ? 339 HOH B O 1
HETATM 1677 O O . HOH F 4 . ? 35.773 -0.456 14.611 1.00 36.57 ? 340 HOH B O 1
HETATM 1678 O O . HOH F 4 . ? 3.607 -3.281 23.399 1.00 41.79 ? 341 HOH B O 1
HETATM 1679 O O . HOH F 4 . ? 13.493 -7.479 5.288 1.00 42.13 ? 342 HOH B O 1
HETATM 1680 O O . HOH F 4 . ? 27.360 14.119 10.638 1.00 49.04 ? 343 HOH B O 1
HETATM 1681 O O . HOH F 4 . ? 13.915 -5.343 -5.122 1.00 38.57 ? 344 HOH B O 1
HETATM 1682 O O . HOH F 4 . ? 42.206 0.111 17.136 1.00 47.90 ? 345 HOH B O 1
HETATM 1683 O O . HOH F 4 . ? -1.890 12.830 22.898 1.00 31.41 ? 346 HOH B O 1
HETATM 1684 O O . HOH F 4 . ? -6.490 -1.224 13.438 1.00 31.63 ? 347 HOH B O 1
HETATM 1685 O O . HOH F 4 . ? -7.026 1.655 23.212 1.00 29.15 ? 348 HOH B O 1
HETATM 1686 O O . HOH F 4 . ? 26.890 -11.822 18.696 1.00 32.18 ? 349 HOH B O 1
HETATM 1687 O O . HOH F 4 . ? -0.859 1.064 35.892 1.00 33.73 ? 350 HOH B O 1
HETATM 1688 O O . HOH F 4 . ? -0.963 11.371 20.931 1.00 33.76 ? 351 HOH B O 1
HETATM 1689 O O . HOH F 4 . ? 28.578 -7.608 20.239 1.00 34.30 ? 352 HOH B O 1
#
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