data_ma-ornl-sphdiv-00684
_entry.id ma-ornl-sphdiv-00684
_entry.ma_collection_id ma-ornl-sphdiv

_struct.entry_id ma-ornl-sphdiv-00684
_struct.pdbx_model_details
'AlphaFold v2.0 was used to predict 5 structural models which were ranked with the pTM metric. The top ranked model was energy minimized with OpenMM version 7.6. The Amber ff99SB force field was used for parameters. MSAs and structural templates were calculated using Kalign, HMMER, and HHSuite using the MGnify, UniRef90, UniClust30, pdb70, RCSB PDB, and reduced BFD sequence libraries.'
_struct.pdbx_structure_determination_methodology computational
_struct.title 'AlphaFold2 model of Sphmag15G075800.1'

_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/ba728c4/archive/mmcif_ma-v1.4.5.dic
_audit_conform.dict_name mmcif_ma.dic
_audit_conform.dict_version 1.4.5

loop_
_citation.id
_citation.title
_citation.journal_abbrev
_citation.journal_volume
_citation.page_first
_citation.page_last
_citation.year
_citation.pdbx_database_id_PubMed
_citation.pdbx_database_id_DOI
primary 'Proteome-scale Deployment of Protein Structure Prediction Workflows on the Summit Supercomputer' 'In 2022 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW)' . 206 215 2022 . 10.1109/IPDPSW55747.2022.00045
2 'Highly accurate protein structure prediction with AlphaFold' Nature 596 583 589 2021 34265844 10.1038/s41586-021-03819-2

loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary 'Gao M' 1
primary 'Coletti M' 2
primary 'Davidson RB' 3
primary 'Prout R' 4
primary 'Abraham S' 5
primary 'Hernandez B' 6
primary 'Sedova A' 7
2 'Jumper J' 8
2 'Evans R' 9
2 'Pritzel A' 10
2 'Green T' 11
2 'Figurnov M' 12
2 'Ronneberger O' 13
2 'Tunyasuvunakool K' 14
2 'Bates R' 15
2 'Zidek A' 16
2 'Potapenko A' 17
2 'Bridgland A' 18
2 'Meyer C' 19
2 'Kohl SAA' 20
2 'Ballard AJ' 21
2 'Cowie A' 22
2 'Romera-Paredes  B' 23
2 'Nikolov S' 24
2 'Jain R' 25
2 'Adler J' 26
2 'Back T' 27
2 'Petersen S' 28
2 'Reiman D' 29
2 'Clancy E' 30
2 'Zielinski M' 31
2 'Steinegger M' 32
2 'Pacholska M' 33
2 'Berghammer T' 34
2 'Bodenstein S' 35
2 'Silver D' 36
2 'Vinyals O' 37
2 'Senior AW' 38
2 'Kavukcuoglu K' 39
2 'Kohli P' 40
2 'Hassabis D' 41

loop_
_software.pdbx_ordinal
_software.name
_software.classification
_software.description
_software.version
_software.type
_software.location
_software.citation_id
1 AlphaFold 'model building' . 2.0.1 program https://github.com/deepmind/alphafold 2

loop_
_ma_software_group.ordinal_id
_ma_software_group.group_id
_ma_software_group.software_id
_ma_software_group.parameter_group_id
1 1 1 .

loop_
_audit_author.name
_audit_author.pdbx_ordinal
'Gao M' 1
'Coletti M' 2
'Davidson RB' 3
'Prout R' 4
'Abraham S' 5
'Hernandez B' 6
'Sedova A' 7

loop_
_chem_comp.id
_chem_comp.type
_chem_comp.name
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.ma_provenance
ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094 'CCD Core'
ARG 'L-peptide linking' ARGININE 'C6 H15 N4 O2 1' 175.212 'CCD Core'
ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core'
ASP 'L-peptide linking' 'ASPARTIC ACID' 'C4 H7 N O4' 133.103 'CCD Core'
GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 'CCD Core'
GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 'CCD Core'
GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 'CCD Core'
HIS 'L-peptide linking' HISTIDINE 'C6 H10 N3 O2 1' 156.165 'CCD Core'
ILE 'L-peptide linking' ISOLEUCINE 'C6 H13 N O2' 131.175 'CCD Core'
LEU 'L-peptide linking' LEUCINE 'C6 H13 N O2' 131.175 'CCD Core'
LYS 'L-peptide linking' LYSINE 'C6 H15 N2 O2 1' 147.198 'CCD Core'
MET 'L-peptide linking' METHIONINE 'C5 H11 N O2 S' 149.208 'CCD Core'
PHE 'L-peptide linking' PHENYLALANINE 'C9 H11 N O2' 165.192 'CCD Core'
PRO 'L-peptide linking' PROLINE 'C5 H9 N O2' 115.132 'CCD Core'
SER 'L-peptide linking' SERINE 'C3 H7 N O3' 105.093 'CCD Core'
THR 'L-peptide linking' THREONINE 'C4 H9 N O3' 119.120 'CCD Core'
TRP 'L-peptide linking' TRYPTOPHAN 'C11 H12 N2 O2' 204.229 'CCD Core'
VAL 'L-peptide linking' VALINE 'C5 H11 N O2' 117.148 'CCD Core'

loop_
_entity.id
_entity.type
_entity.src_method
_entity.pdbx_description
_entity.formula_weight
_entity.pdbx_number_of_molecules
_entity.details
1 polymer man Sphmag15G075800.1 22687.964 1 .

loop_
_ma_target_ref_db_details.target_entity_id
_ma_target_ref_db_details.db_name
_ma_target_ref_db_details.db_name_other_details
_ma_target_ref_db_details.db_code
_ma_target_ref_db_details.db_accession
_ma_target_ref_db_details.seq_db_isoform
_ma_target_ref_db_details.seq_db_align_begin
_ma_target_ref_db_details.seq_db_align_end
_ma_target_ref_db_details.ncbi_taxonomy_id
_ma_target_ref_db_details.organism_scientific
_ma_target_ref_db_details.seq_db_sequence_version_date
_ma_target_ref_db_details.seq_db_sequence_checksum
1 Other Phytozyme . 41902678 ? 1 175 2779801 'Sphagnum divinum' . .

loop_
_entity_poly.entity_id
_entity_poly.type
_entity_poly.nstd_linkage
_entity_poly.nstd_monomer
_entity_poly.pdbx_strand_id
_entity_poly.pdbx_seq_one_letter_code
_entity_poly.pdbx_seq_one_letter_code_can
1 polypeptide(L) no no A
;MELSPFVHHHHHHGKKGRGGGGGGGGGGVADLWDVIDPLEIALTVLEEDAPRRARARDRRAIANTNVDWV
ETPEAHIFKVDLPGVGSSEIEVTVEDRTLKISGNRVKDVVNEGDTWHLAERPRGHFVRRFKLPKNADVDR
IAAVVTDGVLTVIVPKIEPRRRQERRHIEVREHGD
;
;MELSPFVHHHHHHGKKGRGGGGGGGGGGVADLWDVIDPLEIALTVLEEDAPRRARARDRRAIANTNVDWV
ETPEAHIFKVDLPGVGSSEIEVTVEDRTLKISGNRVKDVVNEGDTWHLAERPRGHFVRRFKLPKNADVDR
IAAVVTDGVLTVIVPKIEPRRRQERRHIEVREHGD
;

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 MET .
1 2 GLU .
1 3 LEU .
1 4 SER .
1 5 PRO .
1 6 PHE .
1 7 VAL .
1 8 HIS .
1 9 HIS .
1 10 HIS .
1 11 HIS .
1 12 HIS .
1 13 HIS .
1 14 GLY .
1 15 LYS .
1 16 LYS .
1 17 GLY .
1 18 ARG .
1 19 GLY .
1 20 GLY .
1 21 GLY .
1 22 GLY .
1 23 GLY .
1 24 GLY .
1 25 GLY .
1 26 GLY .
1 27 GLY .
1 28 GLY .
1 29 VAL .
1 30 ALA .
1 31 ASP .
1 32 LEU .
1 33 TRP .
1 34 ASP .
1 35 VAL .
1 36 ILE .
1 37 ASP .
1 38 PRO .
1 39 LEU .
1 40 GLU .
1 41 ILE .
1 42 ALA .
1 43 LEU .
1 44 THR .
1 45 VAL .
1 46 LEU .
1 47 GLU .
1 48 GLU .
1 49 ASP .
1 50 ALA .
1 51 PRO .
1 52 ARG .
1 53 ARG .
1 54 ALA .
1 55 ARG .
1 56 ALA .
1 57 ARG .
1 58 ASP .
1 59 ARG .
1 60 ARG .
1 61 ALA .
1 62 ILE .
1 63 ALA .
1 64 ASN .
1 65 THR .
1 66 ASN .
1 67 VAL .
1 68 ASP .
1 69 TRP .
1 70 VAL .
1 71 GLU .
1 72 THR .
1 73 PRO .
1 74 GLU .
1 75 ALA .
1 76 HIS .
1 77 ILE .
1 78 PHE .
1 79 LYS .
1 80 VAL .
1 81 ASP .
1 82 LEU .
1 83 PRO .
1 84 GLY .
1 85 VAL .
1 86 GLY .
1 87 SER .
1 88 SER .
1 89 GLU .
1 90 ILE .
1 91 GLU .
1 92 VAL .
1 93 THR .
1 94 VAL .
1 95 GLU .
1 96 ASP .
1 97 ARG .
1 98 THR .
1 99 LEU .
1 100 LYS .
1 101 ILE .
1 102 SER .
1 103 GLY .
1 104 ASN .
1 105 ARG .
1 106 VAL .
1 107 LYS .
1 108 ASP .
1 109 VAL .
1 110 VAL .
1 111 ASN .
1 112 GLU .
1 113 GLY .
1 114 ASP .
1 115 THR .
1 116 TRP .
1 117 HIS .
1 118 LEU .
1 119 ALA .
1 120 GLU .
1 121 ARG .
1 122 PRO .
1 123 ARG .
1 124 GLY .
1 125 HIS .
1 126 PHE .
1 127 VAL .
1 128 ARG .
1 129 ARG .
1 130 PHE .
1 131 LYS .
1 132 LEU .
1 133 PRO .
1 134 LYS .
1 135 ASN .
1 136 ALA .
1 137 ASP .
1 138 VAL .
1 139 ASP .
1 140 ARG .
1 141 ILE .
1 142 ALA .
1 143 ALA .
1 144 VAL .
1 145 VAL .
1 146 THR .
1 147 ASP .
1 148 GLY .
1 149 VAL .
1 150 LEU .
1 151 THR .
1 152 VAL .
1 153 ILE .
1 154 VAL .
1 155 PRO .
1 156 LYS .
1 157 ILE .
1 158 GLU .
1 159 PRO .
1 160 ARG .
1 161 ARG .
1 162 ARG .
1 163 GLN .
1 164 GLU .
1 165 ARG .
1 166 ARG .
1 167 HIS .
1 168 ILE .
1 169 GLU .
1 170 VAL .
1 171 ARG .
1 172 GLU .
1 173 HIS .
1 174 GLY .
1 175 ASP .

loop_
_struct_asym.id
_struct_asym.entity_id
_struct_asym.details
A 1 ?

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.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
A 1 1 MET 1 1 MET MET A .
A 1 2 GLU 2 2 GLU GLU A .
A 1 3 LEU 3 3 LEU LEU A .
A 1 4 SER 4 4 SER SER A .
A 1 5 PRO 5 5 PRO PRO A .
A 1 6 PHE 6 6 PHE PHE A .
A 1 7 VAL 7 7 VAL VAL A .
A 1 8 HIS 8 8 HIS HIS A .
A 1 9 HIS 9 9 HIS HIS A .
A 1 10 HIS 10 10 HIS HIS A .
A 1 11 HIS 11 11 HIS HIS A .
A 1 12 HIS 12 12 HIS HIS A .
A 1 13 HIS 13 13 HIS HIS A .
A 1 14 GLY 14 14 GLY GLY A .
A 1 15 LYS 15 15 LYS LYS A .
A 1 16 LYS 16 16 LYS LYS A .
A 1 17 GLY 17 17 GLY GLY A .
A 1 18 ARG 18 18 ARG ARG A .
A 1 19 GLY 19 19 GLY GLY A .
A 1 20 GLY 20 20 GLY GLY A .
A 1 21 GLY 21 21 GLY GLY A .
A 1 22 GLY 22 22 GLY GLY A .
A 1 23 GLY 23 23 GLY GLY A .
A 1 24 GLY 24 24 GLY GLY A .
A 1 25 GLY 25 25 GLY GLY A .
A 1 26 GLY 26 26 GLY GLY A .
A 1 27 GLY 27 27 GLY GLY A .
A 1 28 GLY 28 28 GLY GLY A .
A 1 29 VAL 29 29 VAL VAL A .
A 1 30 ALA 30 30 ALA ALA A .
A 1 31 ASP 31 31 ASP ASP A .
A 1 32 LEU 32 32 LEU LEU A .
A 1 33 TRP 33 33 TRP TRP A .
A 1 34 ASP 34 34 ASP ASP A .
A 1 35 VAL 35 35 VAL VAL A .
A 1 36 ILE 36 36 ILE ILE A .
A 1 37 ASP 37 37 ASP ASP A .
A 1 38 PRO 38 38 PRO PRO A .
A 1 39 LEU 39 39 LEU LEU A .
A 1 40 GLU 40 40 GLU GLU A .
A 1 41 ILE 41 41 ILE ILE A .
A 1 42 ALA 42 42 ALA ALA A .
A 1 43 LEU 43 43 LEU LEU A .
A 1 44 THR 44 44 THR THR A .
A 1 45 VAL 45 45 VAL VAL A .
A 1 46 LEU 46 46 LEU LEU A .
A 1 47 GLU 47 47 GLU GLU A .
A 1 48 GLU 48 48 GLU GLU A .
A 1 49 ASP 49 49 ASP ASP A .
A 1 50 ALA 50 50 ALA ALA A .
A 1 51 PRO 51 51 PRO PRO A .
A 1 52 ARG 52 52 ARG ARG A .
A 1 53 ARG 53 53 ARG ARG A .
A 1 54 ALA 54 54 ALA ALA A .
A 1 55 ARG 55 55 ARG ARG A .
A 1 56 ALA 56 56 ALA ALA A .
A 1 57 ARG 57 57 ARG ARG A .
A 1 58 ASP 58 58 ASP ASP A .
A 1 59 ARG 59 59 ARG ARG A .
A 1 60 ARG 60 60 ARG ARG A .
A 1 61 ALA 61 61 ALA ALA A .
A 1 62 ILE 62 62 ILE ILE A .
A 1 63 ALA 63 63 ALA ALA A .
A 1 64 ASN 64 64 ASN ASN A .
A 1 65 THR 65 65 THR THR A .
A 1 66 ASN 66 66 ASN ASN A .
A 1 67 VAL 67 67 VAL VAL A .
A 1 68 ASP 68 68 ASP ASP A .
A 1 69 TRP 69 69 TRP TRP A .
A 1 70 VAL 70 70 VAL VAL A .
A 1 71 GLU 71 71 GLU GLU A .
A 1 72 THR 72 72 THR THR A .
A 1 73 PRO 73 73 PRO PRO A .
A 1 74 GLU 74 74 GLU GLU A .
A 1 75 ALA 75 75 ALA ALA A .
A 1 76 HIS 76 76 HIS HIS A .
A 1 77 ILE 77 77 ILE ILE A .
A 1 78 PHE 78 78 PHE PHE A .
A 1 79 LYS 79 79 LYS LYS A .
A 1 80 VAL 80 80 VAL VAL A .
A 1 81 ASP 81 81 ASP ASP A .
A 1 82 LEU 82 82 LEU LEU A .
A 1 83 PRO 83 83 PRO PRO A .
A 1 84 GLY 84 84 GLY GLY A .
A 1 85 VAL 85 85 VAL VAL A .
A 1 86 GLY 86 86 GLY GLY A .
A 1 87 SER 87 87 SER SER A .
A 1 88 SER 88 88 SER SER A .
A 1 89 GLU 89 89 GLU GLU A .
A 1 90 ILE 90 90 ILE ILE A .
A 1 91 GLU 91 91 GLU GLU A .
A 1 92 VAL 92 92 VAL VAL A .
A 1 93 THR 93 93 THR THR A .
A 1 94 VAL 94 94 VAL VAL A .
A 1 95 GLU 95 95 GLU GLU A .
A 1 96 ASP 96 96 ASP ASP A .
A 1 97 ARG 97 97 ARG ARG A .
A 1 98 THR 98 98 THR THR A .
A 1 99 LEU 99 99 LEU LEU A .
A 1 100 LYS 100 100 LYS LYS A .
A 1 101 ILE 101 101 ILE ILE A .
A 1 102 SER 102 102 SER SER A .
A 1 103 GLY 103 103 GLY GLY A .
A 1 104 ASN 104 104 ASN ASN A .
A 1 105 ARG 105 105 ARG ARG A .
A 1 106 VAL 106 106 VAL VAL A .
A 1 107 LYS 107 107 LYS LYS A .
A 1 108 ASP 108 108 ASP ASP A .
A 1 109 VAL 109 109 VAL VAL A .
A 1 110 VAL 110 110 VAL VAL A .
A 1 111 ASN 111 111 ASN ASN A .
A 1 112 GLU 112 112 GLU GLU A .
A 1 113 GLY 113 113 GLY GLY A .
A 1 114 ASP 114 114 ASP ASP A .
A 1 115 THR 115 115 THR THR A .
A 1 116 TRP 116 116 TRP TRP A .
A 1 117 HIS 117 117 HIS HIS A .
A 1 118 LEU 118 118 LEU LEU A .
A 1 119 ALA 119 119 ALA ALA A .
A 1 120 GLU 120 120 GLU GLU A .
A 1 121 ARG 121 121 ARG ARG A .
A 1 122 PRO 122 122 PRO PRO A .
A 1 123 ARG 123 123 ARG ARG A .
A 1 124 GLY 124 124 GLY GLY A .
A 1 125 HIS 125 125 HIS HIS A .
A 1 126 PHE 126 126 PHE PHE A .
A 1 127 VAL 127 127 VAL VAL A .
A 1 128 ARG 128 128 ARG ARG A .
A 1 129 ARG 129 129 ARG ARG A .
A 1 130 PHE 130 130 PHE PHE A .
A 1 131 LYS 131 131 LYS LYS A .
A 1 132 LEU 132 132 LEU LEU A .
A 1 133 PRO 133 133 PRO PRO A .
A 1 134 LYS 134 134 LYS LYS A .
A 1 135 ASN 135 135 ASN ASN A .
A 1 136 ALA 136 136 ALA ALA A .
A 1 137 ASP 137 137 ASP ASP A .
A 1 138 VAL 138 138 VAL VAL A .
A 1 139 ASP 139 139 ASP ASP A .
A 1 140 ARG 140 140 ARG ARG A .
A 1 141 ILE 141 141 ILE ILE A .
A 1 142 ALA 142 142 ALA ALA A .
A 1 143 ALA 143 143 ALA ALA A .
A 1 144 VAL 144 144 VAL VAL A .
A 1 145 VAL 145 145 VAL VAL A .
A 1 146 THR 146 146 THR THR A .
A 1 147 ASP 147 147 ASP ASP A .
A 1 148 GLY 148 148 GLY GLY A .
A 1 149 VAL 149 149 VAL VAL A .
A 1 150 LEU 150 150 LEU LEU A .
A 1 151 THR 151 151 THR THR A .
A 1 152 VAL 152 152 VAL VAL A .
A 1 153 ILE 153 153 ILE ILE A .
A 1 154 VAL 154 154 VAL VAL A .
A 1 155 PRO 155 155 PRO PRO A .
A 1 156 LYS 156 156 LYS LYS A .
A 1 157 ILE 157 157 ILE ILE A .
A 1 158 GLU 158 158 GLU GLU A .
A 1 159 PRO 159 159 PRO PRO A .
A 1 160 ARG 160 160 ARG ARG A .
A 1 161 ARG 161 161 ARG ARG A .
A 1 162 ARG 162 162 ARG ARG A .
A 1 163 GLN 163 163 GLN GLN A .
A 1 164 GLU 164 164 GLU GLU A .
A 1 165 ARG 165 165 ARG ARG A .
A 1 166 ARG 166 166 ARG ARG A .
A 1 167 HIS 167 167 HIS HIS A .
A 1 168 ILE 168 168 ILE ILE A .
A 1 169 GLU 169 169 GLU GLU A .
A 1 170 VAL 170 170 VAL VAL A .
A 1 171 ARG 171 171 ARG ARG A .
A 1 172 GLU 172 172 GLU GLU A .
A 1 173 HIS 173 173 HIS HIS A .
A 1 174 GLY 174 174 GLY GLY A .
A 1 175 ASP 175 175 ASP ASP A .

loop_
_ma_data.id
_ma_data.name
_ma_data.content_type
_ma_data.content_type_other_details
1 Sphmag15G075800.1 target .
2 'Top scoring model' 'model coordinates' .

loop_
_ma_data_group.ordinal_id
_ma_data_group.group_id
_ma_data_group.data_id
1 1 1
2 2 2

loop_
_ma_target_entity.entity_id
_ma_target_entity.data_id
_ma_target_entity.origin
1 1 'reference database'

loop_
_ma_target_entity_instance.asym_id
_ma_target_entity_instance.entity_id
_ma_target_entity_instance.details
A 1 ?

loop_
_ma_protocol_step.ordinal_id
_ma_protocol_step.protocol_id
_ma_protocol_step.step_id
_ma_protocol_step.method_type
_ma_protocol_step.step_name
_ma_protocol_step.details
_ma_protocol_step.software_group_id
1 1 1 modeling AlphaFold . 1
2 1 2 'model selection' AlphaFold . 1

loop_
_ma_model_list.ordinal_id
_ma_model_list.model_id
_ma_model_list.model_group_id
_ma_model_list.model_name
_ma_model_list.model_group_name
_ma_model_list.data_id
_ma_model_list.model_type
_ma_model_list.model_type_other_details
1 1 1 'Top scoring model' . 2 'Ab initio model' .

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_seq_id
_atom_site.auth_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.label_asym_id
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.label_entity_id
_atom_site.auth_asym_id
_atom_site.B_iso_or_equiv
_atom_site.pdbx_PDB_model_num
ATOM 1 N N . MET 1 1 ? A 33.276 23.056 -16.597 1.000 1 A 39.910 1
ATOM 2 C CA . MET 1 1 ? A 33.261 24.205 -15.672 1.000 1 A 39.910 1
ATOM 3 C C . MET 1 1 ? A 32.739 23.685 -14.351 1.000 1 A 39.910 1
ATOM 4 C CB . MET 1 1 ? A 32.390 25.362 -16.194 1.000 1 A 39.910 1
ATOM 5 O O . MET 1 1 ? A 31.572 23.329 -14.277 1.000 1 A 39.910 1
ATOM 6 C CG . MET 1 1 ? A 33.068 26.127 -17.336 1.000 1 A 39.910 1
ATOM 7 S SD . MET 1 1 ? A 32.027 27.426 -18.047 1.000 1 A 39.910 1
ATOM 8 C CE . MET 1 1 ? A 33.048 27.932 -19.458 1.000 1 A 39.910 1
ATOM 9 N N . GLU 2 2 ? A 33.629 23.513 -13.378 1.000 1 A 36.530 1
ATOM 10 C CA . GLU 2 2 ? A 33.271 23.106 -12.019 1.000 1 A 36.530 1
ATOM 11 C C . GLU 2 2 ? A 32.688 24.315 -11.284 1.000 1 A 36.530 1
ATOM 12 C CB . GLU 2 2 ? A 34.509 22.575 -11.282 1.000 1 A 36.530 1
ATOM 13 O O . GLU 2 2 ? A 33.302 25.381 -11.260 1.000 1 A 36.530 1
ATOM 14 C CG . GLU 2 2 ? A 35.006 21.240 -11.857 1.000 1 A 36.530 1
ATOM 15 C CD . GLU 2 2 ? A 36.190 20.663 -11.065 1.000 1 A 36.530 1
ATOM 16 O OE1 . GLU 2 2 ? A 36.324 19.421 -11.076 1.000 1 A 36.530 1
ATOM 17 O OE2 . GLU 2 2 ? A 36.960 21.469 -10.499 1.000 1 A 36.530 1
ATOM 18 N N . LEU 3 3 ? A 31.489 24.162 -10.723 1.000 1 A 33.750 1
ATOM 19 C CA . LEU 3 3 ? A 30.883 25.151 -9.841 1.000 1 A 33.750 1
ATOM 20 C C . LEU 3 3 ? A 31.042 24.655 -8.406 1.000 1 A 33.750 1
ATOM 21 C CB . LEU 3 3 ? A 29.419 25.408 -10.241 1.000 1 A 33.750 1
ATOM 22 O O . LEU 3 3 ? A 30.521 23.605 -8.033 1.000 1 A 33.750 1
ATOM 23 C CG . LEU 3 3 ? A 29.256 26.161 -11.577 1.000 1 A 33.750 1
ATOM 24 C CD1 . LEU 3 3 ? A 27.772 26.259 -11.933 1.000 1 A 33.750 1
ATOM 25 C CD2 . LEU 3 3 ? A 29.823 27.583 -11.523 1.000 1 A 33.750 1
ATOM 26 N N . SER 4 4 ? A 31.814 25.406 -7.630 1.000 1 A 36.800 1
ATOM 27 C CA . SER 4 4 ? A 32.065 25.179 -6.214 1.000 1 A 36.800 1
ATOM 28 C C . SER 4 4 ? A 30.813 25.460 -5.359 1.000 1 A 36.800 1
ATOM 29 C CB . SER 4 4 ? A 33.255 26.041 -5.769 1.000 1 A 36.800 1
ATOM 30 O O . SER 4 4 ? A 30.024 26.346 -5.698 1.000 1 A 36.800 1
ATOM 31 O OG . SER 4 4 ? A 33.211 27.331 -6.360 1.000 1 A 36.800 1
ATOM 32 N N . PRO 5 5 ? A 30.607 24.742 -4.234 1.000 1 A 35.320 1
ATOM 33 C CA . PRO 5 5 ? A 29.424 24.905 -3.392 1.000 1 A 35.320 1
ATOM 34 C C . PRO 5 5 ? A 29.557 26.113 -2.455 1.000 1 A 35.320 1
ATOM 35 C CB . PRO 5 5 ? A 29.261 23.594 -2.609 1.000 1 A 35.320 1
ATOM 36 O O . PRO 5 5 ? A 30.526 26.235 -1.705 1.000 1 A 35.320 1
ATOM 37 C CG . PRO 5 5 ? A 30.477 22.737 -2.968 1.000 1 A 35.320 1
ATOM 38 C CD . PRO 5 5 ? A 31.430 23.665 -3.711 1.000 1 A 35.320 1
ATOM 39 N N . PHE 6 6 ? A 28.548 26.986 -2.461 1.000 1 A 31.960 1
ATOM 40 C CA . PHE 6 6 ? A 28.446 28.131 -1.557 1.000 1 A 31.960 1
ATOM 41 C C . PHE 6 6 ? A 27.722 27.711 -0.267 1.000 1 A 31.960 1
ATOM 42 C CB . PHE 6 6 ? A 27.763 29.303 -2.287 1.000 1 A 31.960 1
ATOM 43 O O . PHE 6 6 ? A 26.518 27.460 -0.266 1.000 1 A 31.960 1
ATOM 44 C CG . PHE 6 6 ? A 28.344 30.667 -1.966 1.000 1 A 31.960 1
ATOM 45 C CD1 . PHE 6 6 ? A 27.755 31.494 -0.991 1.000 1 A 31.960 1
ATOM 46 C CD2 . PHE 6 6 ? A 29.477 31.119 -2.670 1.000 1 A 31.960 1
ATOM 47 C CE1 . PHE 6 6 ? A 28.285 32.773 -0.736 1.000 1 A 31.960 1
ATOM 48 C CE2 . PHE 6 6 ? A 30.011 32.394 -2.411 1.000 1 A 31.960 1
ATOM 49 C CZ . PHE 6 6 ? A 29.411 33.224 -1.448 1.000 1 A 31.960 1
ATOM 50 N N . VAL 7 7 ? A 28.462 27.625 0.840 1.000 1 A 39.880 1
ATOM 51 C CA . VAL 7 7 ? A 27.919 27.389 2.187 1.000 1 A 39.880 1
ATOM 52 C C . VAL 7 7 ? A 27.383 28.712 2.736 1.000 1 A 39.880 1
ATOM 53 C CB . VAL 7 7 ? A 29.001 26.783 3.108 1.000 1 A 39.880 1
ATOM 54 O O . VAL 7 7 ? A 28.155 29.630 3.007 1.000 1 A 39.880 1
ATOM 55 C CG1 . VAL 7 7 ? A 28.527 26.637 4.561 1.000 1 A 39.880 1
ATOM 56 C CG2 . VAL 7 7 ? A 29.419 25.392 2.610 1.000 1 A 39.880 1
ATOM 57 N N . HIS 8 8 ? A 26.063 28.822 2.911 1.000 1 A 36.050 1
ATOM 58 C CA . HIS 8 8 ? A 25.442 29.962 3.590 1.000 1 A 36.050 1
ATOM 59 C C . HIS 8 8 ? A 25.374 29.719 5.104 1.000 1 A 36.050 1
ATOM 60 C CB . HIS 8 8 ? A 24.070 30.304 2.980 1.000 1 A 36.050 1
ATOM 61 O O . HIS 8 8 ? A 24.740 28.778 5.580 1.000 1 A 36.050 1
ATOM 62 C CG . HIS 8 8 ? A 24.078 31.628 2.256 1.000 1 A 36.050 1
ATOM 63 C CD2 . HIS 8 8 ? A 23.757 32.853 2.780 1.000 1 A 36.050 1
ATOM 64 N ND1 . HIS 8 8 ? A 24.449 31.834 0.947 1.000 1 A 36.050 1
ATOM 65 C CE1 . HIS 8 8 ? A 24.354 33.149 0.688 1.000 1 A 36.050 1
ATOM 66 N NE2 . HIS 8 8 ? A 23.941 33.811 1.779 1.000 1 A 36.050 1
ATOM 67 N N . HIS 9 9 ? A 26.033 30.596 5.858 1.000 1 A 34.970 1
ATOM 68 C CA . HIS 9 9 ? A 26.038 30.642 7.318 1.000 1 A 34.970 1
ATOM 69 C C . HIS 9 9 ? A 24.741 31.313 7.805 1.000 1 A 34.970 1
ATOM 70 C CB . HIS 9 9 ? A 27.305 31.411 7.756 1.000 1 A 34.970 1
ATOM 71 O O . HIS 9 9 ? A 24.555 32.515 7.609 1.000 1 A 34.970 1
ATOM 72 C CG . HIS 9 9 ? A 28.027 30.825 8.939 1.000 1 A 34.970 1
ATOM 73 C CD2 . HIS 9 9 ? A 27.945 31.231 10.244 1.000 1 A 34.970 1
ATOM 74 N ND1 . HIS 9 9 ? A 28.988 29.840 8.881 1.000 1 A 34.970 1
ATOM 75 C CE1 . HIS 9 9 ? A 29.469 29.654 10.121 1.000 1 A 34.970 1
ATOM 76 N NE2 . HIS 9 9 ? A 28.861 30.480 10.985 1.000 1 A 34.970 1
ATOM 77 N N . HIS 10 10 ? A 23.829 30.561 8.427 1.000 1 A 37.740 1
ATOM 78 C CA . HIS 10 10 ? A 22.613 31.135 9.009 1.000 1 A 37.740 1
ATOM 79 C C . HIS 10 10 ? A 22.918 31.741 10.387 1.000 1 A 37.740 1
ATOM 80 C CB . HIS 10 10 ? A 21.464 30.111 9.031 1.000 1 A 37.740 1
ATOM 81 O O . HIS 10 10 ? A 23.258 31.039 11.337 1.000 1 A 37.740 1
ATOM 82 C CG . HIS 10 10 ? A 20.325 30.517 8.127 1.000 1 A 37.740 1
ATOM 83 C CD2 . HIS 10 10 ? A 20.182 30.206 6.800 1.000 1 A 37.740 1
ATOM 84 N ND1 . HIS 10 10 ? A 19.257 31.315 8.473 1.000 1 A 37.740 1
ATOM 85 C CE1 . HIS 10 10 ? A 18.484 31.471 7.384 1.000 1 A 37.740 1
ATOM 86 N NE2 . HIS 10 10 ? A 19.012 30.818 6.340 1.000 1 A 37.740 1
ATOM 87 N N . HIS 11 11 ? A 22.803 33.068 10.480 1.000 1 A 33.990 1
ATOM 88 C CA . HIS 11 11 ? A 22.950 33.825 11.719 1.000 1 A 33.990 1
ATOM 89 C C . HIS 11 11 ? A 21.767 33.587 12.666 1.000 1 A 33.990 1
ATOM 90 C CB . HIS 11 11 ? A 23.136 35.323 11.418 1.000 1 A 33.990 1
ATOM 91 O O . HIS 11 11 ? A 20.598 33.696 12.295 1.000 1 A 33.990 1
ATOM 92 C CG . HIS 11 11 ? A 24.543 35.804 11.661 1.000 1 A 33.990 1
ATOM 93 C CD2 . HIS 11 11 ? A 24.977 36.539 12.732 1.000 1 A 33.990 1
ATOM 94 N ND1 . HIS 11 11 ? A 25.634 35.587 10.850 1.000 1 A 33.990 1
ATOM 95 C CE1 . HIS 11 11 ? A 26.698 36.180 11.419 1.000 1 A 33.990 1
ATOM 96 N NE2 . HIS 11 11 ? A 26.344 36.771 12.570 1.000 1 A 33.990 1
ATOM 97 N N . HIS 12 12 ? A 22.114 33.304 13.917 1.000 1 A 32.250 1
ATOM 98 C CA . HIS 12 12 ? A 21.225 33.087 15.047 1.000 1 A 32.250 1
ATOM 99 C C . HIS 12 12 ? A 20.601 34.424 15.495 1.000 1 A 32.250 1
ATOM 100 C CB . HIS 12 12 ? A 22.093 32.431 16.141 1.000 1 A 32.250 1
ATOM 101 O O . HIS 12 12 ? A 21.307 35.348 15.904 1.000 1 A 32.250 1
ATOM 102 C CG . HIS 12 12 ? A 21.354 31.618 17.169 1.000 1 A 32.250 1
ATOM 103 C CD2 . HIS 12 12 ? A 21.337 30.250 17.250 1.000 1 A 32.250 1
ATOM 104 N ND1 . HIS 12 12 ? A 20.681 32.099 18.268 1.000 1 A 32.250 1
ATOM 105 C CE1 . HIS 12 12 ? A 20.258 31.045 18.987 1.000 1 A 32.250 1
ATOM 106 N NE2 . HIS 12 12 ? A 20.632 29.900 18.404 1.000 1 A 32.250 1
ATOM 107 N N . HIS 13 13 ? A 19.272 34.539 15.459 1.000 1 A 34.070 1
ATOM 108 C CA . HIS 13 13 ? A 18.541 35.629 16.110 1.000 1 A 34.070 1
ATOM 109 C C . HIS 13 13 ? A 17.666 35.063 17.225 1.000 1 A 34.070 1
ATOM 110 C CB . HIS 13 13 ? A 17.791 36.509 15.091 1.000 1 A 34.070 1
ATOM 111 O O . HIS 13 13 ? A 16.619 34.465 16.994 1.000 1 A 34.070 1
ATOM 112 C CG . HIS 13 13 ? A 18.474 37.835 14.836 1.000 1 A 34.070 1
ATOM 113 C CD2 . HIS 13 13 ? A 17.882 38.977 14.366 1.000 1 A 34.070 1
ATOM 114 N ND1 . HIS 13 13 ? A 19.799 38.138 15.071 1.000 1 A 34.070 1
ATOM 115 C CE1 . HIS 13 13 ? A 19.992 39.432 14.766 1.000 1 A 34.070 1
ATOM 116 N NE2 . HIS 13 13 ? A 18.848 39.986 14.337 1.000 1 A 34.070 1
ATOM 117 N N . GLY 14 14 ? A 18.145 35.245 18.458 1.000 1 A 28.180 1
ATOM 118 C CA . GLY 14 14 ? A 17.405 34.928 19.669 1.000 1 A 28.180 1
ATOM 119 C C . GLY 14 14 ? A 16.262 35.915 19.883 1.000 1 A 28.180 1
ATOM 120 O O . GLY 14 14 ? A 16.454 37.130 19.804 1.000 1 A 28.180 1
ATOM 121 N N . LYS 15 15 ? A 15.074 35.395 20.201 1.000 1 A 36.060 1
ATOM 122 C CA . LYS 15 15 ? A 13.930 36.200 20.631 1.000 1 A 36.060 1
ATOM 123 C C . LYS 15 15 ? A 13.478 35.764 22.025 1.000 1 A 36.060 1
ATOM 124 C CB . LYS 15 15 ? A 12.824 36.178 19.561 1.000 1 A 36.060 1
ATOM 125 O O . LYS 15 15 ? A 13.192 34.599 22.274 1.000 1 A 36.060 1
ATOM 126 C CG . LYS 15 15 ? A 12.020 37.490 19.549 1.000 1 A 36.060 1
ATOM 127 C CD . LYS 15 15 ? A 11.052 37.529 18.358 1.000 1 A 36.060 1
ATOM 128 C CE . LYS 15 15 ? A 10.337 38.884 18.269 1.000 1 A 36.060 1
ATOM 129 N NZ . LYS 15 15 ? A 9.416 38.938 17.104 1.000 1 A 36.060 1
ATOM 130 N N . LYS 16 16 ? A 13.479 36.753 22.922 1.000 1 A 31.150 1
ATOM 131 C CA . LYS 16 16 ? A 12.974 36.765 24.303 1.000 1 A 31.150 1
ATOM 132 C C . LYS 16 16 ? A 11.496 36.368 24.394 1.000 1 A 31.150 1
ATOM 133 C CB . LYS 16 16 ? A 13.053 38.221 24.812 1.000 1 A 31.150 1
ATOM 134 O O . LYS 16 16 ? A 10.714 36.758 23.534 1.000 1 A 31.150 1
ATOM 135 C CG . LYS 16 16 ? A 14.409 38.687 25.354 1.000 1 A 31.150 1
ATOM 136 C CD . LYS 16 16 ? A 14.362 40.206 25.603 1.000 1 A 31.150 1
ATOM 137 C CE . LYS 16 16 ? A 15.551 40.682 26.446 1.000 1 A 31.150 1
ATOM 138 N NZ . LYS 16 16 ? A 15.604 42.165 26.542 1.000 1 A 31.150 1
ATOM 139 N N . GLY 17 17 ? A 11.105 35.816 25.545 1.000 1 A 30.660 1
ATOM 140 C CA . GLY 17 17 ? A 9.723 35.888 26.030 1.000 1 A 30.660 1
ATOM 141 C C . GLY 17 17 ? A 9.425 34.925 27.176 1.000 1 A 30.660 1
ATOM 142 O O . GLY 17 17 ? A 9.323 33.731 26.961 1.000 1 A 30.660 1
ATOM 143 N N . ARG 18 18 ? A 9.315 35.466 28.391 1.000 1 A 27.940 1
ATOM 144 C CA . ARG 18 18 ? A 8.998 34.806 29.671 1.000 1 A 27.940 1
ATOM 145 C C . ARG 18 18 ? A 7.478 34.673 29.865 1.000 1 A 27.940 1
ATOM 146 C CB . ARG 18 18 ? A 9.556 35.710 30.798 1.000 1 A 27.940 1
ATOM 147 O O . ARG 18 18 ? A 6.756 35.585 29.480 1.000 1 A 27.940 1
ATOM 148 C CG . ARG 18 18 ? A 10.714 35.149 31.633 1.000 1 A 27.940 1
ATOM 149 C CD . ARG 18 18 ? A 11.324 36.299 32.464 1.000 1 A 27.940 1
ATOM 150 N NE . ARG 18 18 ? A 11.512 35.966 33.889 1.000 1 A 27.940 1
ATOM 151 N NH1 . ARG 18 18 ? A 11.960 38.102 34.628 1.000 1 A 27.940 1
ATOM 152 N NH2 . ARG 18 18 ? A 11.880 36.429 36.095 1.000 1 A 27.940 1
ATOM 153 C CZ . ARG 18 18 ? A 11.782 36.829 34.858 1.000 1 A 27.940 1
ATOM 154 N N . GLY 19 19 ? A 7.066 33.659 30.632 1.000 1 A 29.500 1
ATOM 155 C CA . GLY 19 19 ? A 5.764 33.557 31.321 1.000 1 A 29.500 1
ATOM 156 C C . GLY 19 19 ? A 4.953 32.350 30.838 1.000 1 A 29.500 1
ATOM 157 O O . GLY 19 19 ? A 4.814 32.170 29.642 1.000 1 A 29.500 1
ATOM 158 N N . GLY 20 20 ? A 4.420 31.451 31.664 1.000 1 A 24.740 1
ATOM 159 C CA . GLY 20 20 ? A 4.234 31.430 33.112 1.000 1 A 24.740 1
ATOM 160 C C . GLY 20 20 ? A 2.844 30.852 33.416 1.000 1 A 24.740 1
ATOM 161 O O . GLY 20 20 ? A 1.861 31.414 32.952 1.000 1 A 24.740 1
ATOM 162 N N . GLY 21 21 ? A 2.788 29.777 34.215 1.000 1 A 27.120 1
ATOM 163 C CA . GLY 21 21 ? A 1.564 29.179 34.784 1.000 1 A 27.120 1
ATOM 164 C C . GLY 21 21 ? A 0.855 28.187 33.850 1.000 1 A 27.120 1
ATOM 165 O O . GLY 21 21 ? A 0.712 28.446 32.668 1.000 1 A 27.120 1
ATOM 166 N N . GLY 22 22 ? A 0.387 27.017 34.273 1.000 1 A 24.660 1
ATOM 167 C CA . GLY 22 22 ? A 0.279 26.425 35.599 1.000 1 A 24.660 1
ATOM 168 C C . GLY 22 22 ? A -0.931 25.483 35.615 1.000 1 A 24.660 1
ATOM 169 O O . GLY 22 22 ? A -2.002 25.880 35.177 1.000 1 A 24.660 1
ATOM 170 N N . GLY 23 23 ? A -0.753 24.281 36.172 1.000 1 A 24.370 1
ATOM 171 C CA . GLY 23 23 ? A -1.808 23.575 36.909 1.000 1 A 24.370 1
ATOM 172 C C . GLY 23 23 ? A -2.652 22.515 36.187 1.000 1 A 24.370 1
ATOM 173 O O . GLY 23 23 ? A -3.397 22.821 35.268 1.000 1 A 24.370 1
ATOM 174 N N . GLY 24 24 ? A -2.621 21.305 36.768 1.000 1 A 25.610 1
ATOM 175 C CA . GLY 24 24 ? A -3.697 20.300 36.758 1.000 1 A 25.610 1
ATOM 176 C C . GLY 24 24 ? A -3.692 19.388 35.530 1.000 1 A 25.610 1
ATOM 177 O O . GLY 24 24 ? A -3.927 19.845 34.428 1.000 1 A 25.610 1
ATOM 178 N N . GLY 25 25 ? A -3.397 18.091 35.610 1.000 1 A 23.950 1
ATOM 179 C CA . GLY 25 25 ? A -3.824 17.131 36.625 1.000 1 A 23.950 1
ATOM 180 C C . GLY 25 25 ? A -4.979 16.314 36.045 1.000 1 A 23.950 1
ATOM 181 O O . GLY 25 25 ? A -6.061 16.850 35.844 1.000 1 A 23.950 1
ATOM 182 N N . GLY 26 26 ? A -4.751 15.028 35.775 1.000 1 A 26.340 1
ATOM 183 C CA . GLY 26 26 ? A -5.811 14.114 35.345 1.000 1 A 26.340 1
ATOM 184 C C . GLY 26 26 ? A -5.275 12.969 34.504 1.000 1 A 26.340 1
ATOM 185 O O . GLY 26 26 ? A -5.099 13.113 33.302 1.000 1 A 26.340 1
ATOM 186 N N . GLY 27 27 ? A -4.982 11.847 35.158 1.000 1 A 24.780 1
ATOM 187 C CA . GLY 27 27 ? A -4.522 10.631 34.506 1.000 1 A 24.780 1
ATOM 188 C C . GLY 27 27 ? A -5.556 10.041 33.549 1.000 1 A 24.780 1
ATOM 189 O O . GLY 27 27 ? A -6.733 9.911 33.874 1.000 1 A 24.780 1
ATOM 190 N N . GLY 28 28 ? A -5.067 9.617 32.394 1.000 1 A 27.890 1
ATOM 191 C CA . GLY 28 28 ? A -5.703 8.658 31.509 1.000 1 A 27.890 1
ATOM 192 C C . GLY 28 28 ? A -4.568 7.838 30.927 1.000 1 A 27.890 1
ATOM 193 O O . GLY 28 28 ? A -3.706 8.397 30.266 1.000 1 A 27.890 1
ATOM 194 N N . VAL 29 29 ? A -4.512 6.571 31.330 1.000 1 A 30.640 1
ATOM 195 C CA . VAL 29 29 ? A -3.600 5.510 30.886 1.000 1 A 30.640 1
ATOM 196 C C . VAL 29 29 ? A -2.788 5.848 29.632 1.000 1 A 30.640 1
ATOM 197 C CB . VAL 29 29 ? A -4.421 4.219 30.678 1.000 1 A 30.640 1
ATOM 198 O O . VAL 29 29 ? A -3.325 5.901 28.533 1.000 1 A 30.640 1
ATOM 199 C CG1 . VAL 29 29 ? A -4.871 3.685 32.048 1.000 1 A 30.640 1
ATOM 200 C CG2 . VAL 29 29 ? A -5.697 4.389 29.829 1.000 1 A 30.640 1
ATOM 201 N N . ALA 30 30 ? A -1.484 6.048 29.827 1.000 1 A 28.650 1
ATOM 202 C CA . ALA 30 30 ? A -0.500 6.003 28.759 1.000 1 A 28.650 1
ATOM 203 C C . ALA 30 30 ? A -0.613 4.639 28.061 1.000 1 A 28.650 1
ATOM 204 C CB . ALA 30 30 ? A 0.888 6.242 29.371 1.000 1 A 28.650 1
ATOM 205 O O . ALA 30 30 ? A -0.217 3.609 28.606 1.000 1 A 28.650 1
ATOM 206 N N . ASP 31 31 ? A -1.310 4.646 26.932 1.000 1 A 33.670 1
ATOM 207 C CA . ASP 31 31 ? A -0.937 3.990 25.688 1.000 1 A 33.670 1
ATOM 208 C C . ASP 31 31 ? A -0.183 2.662 25.856 1.000 1 A 33.670 1
ATOM 209 C CB . ASP 31 31 ? A -0.239 5.032 24.794 1.000 1 A 33.670 1
ATOM 210 O O . ASP 31 31 ? A 1.005 2.525 25.584 1.000 1 A 33.670 1
ATOM 211 C CG . ASP 31 31 ? A -1.117 6.285 24.629 1.000 1 A 33.670 1
ATOM 212 O OD1 . ASP 31 31 ? A -2.351 6.101 24.491 1.000 1 A 33.670 1
ATOM 213 O OD2 . ASP 31 31 ? A -0.592 7.411 24.766 1.000 1 A 33.670 1
ATOM 214 N N . LEU 32 32 ? A -0.935 1.615 26.208 1.000 1 A 29.060 1
ATOM 215 C CA . LEU 32 32 ? A -0.520 0.208 26.092 1.000 1 A 29.060 1
ATOM 216 C C . LEU 32 32 ? A -0.287 -0.230 24.620 1.000 1 A 29.060 1
ATOM 217 C CB . LEU 32 32 ? A -1.580 -0.643 26.832 1.000 1 A 29.060 1
ATOM 218 O O . LEU 32 32 ? A -0.084 -1.409 24.347 1.000 1 A 29.060 1
ATOM 219 C CG . LEU 32 32 ? A -1.309 -2.157 26.977 1.000 1 A 29.060 1
ATOM 220 C CD1 . LEU 32 32 ? A 0.026 -2.454 27.662 1.000 1 A 29.060 1
ATOM 221 C CD2 . LEU 32 32 ? A -2.428 -2.793 27.805 1.000 1 A 29.060 1
ATOM 222 N N . TRP 33 33 ? A -0.329 0.700 23.661 1.000 1 A 28.360 1
ATOM 223 C CA . TRP 33 33 ? A -0.177 0.433 22.228 1.000 1 A 28.360 1
ATOM 224 C C . TRP 33 33 ? A 1.183 0.844 21.648 1.000 1 A 28.360 1
ATOM 225 C CB . TRP 33 33 ? A -1.378 1.012 21.472 1.000 1 A 28.360 1
ATOM 226 O O . TRP 33 33 ? A 1.433 0.571 20.476 1.000 1 A 28.360 1
ATOM 227 C CG . TRP 33 33 ? A -2.675 0.350 21.835 1.000 1 A 28.360 1
ATOM 228 C CD1 . TRP 33 33 ? A -3.656 0.892 22.589 1.000 1 A 28.360 1
ATOM 229 C CD2 . TRP 33 33 ? A -3.118 -1.004 21.514 1.000 1 A 28.360 1
ATOM 230 C CE2 . TRP 33 33 ? A -4.392 -1.218 22.119 1.000 1 A 28.360 1
ATOM 231 C CE3 . TRP 33 33 ? A -2.565 -2.077 20.781 1.000 1 A 28.360 1
ATOM 232 N NE1 . TRP 33 33 ? A -4.673 -0.028 22.760 1.000 1 A 28.360 1
ATOM 233 C CH2 . TRP 33 33 ? A -4.502 -3.485 21.272 1.000 1 A 28.360 1
ATOM 234 C CZ2 . TRP 33 33 ? A -5.084 -2.435 22.005 1.000 1 A 28.360 1
ATOM 235 C CZ3 . TRP 33 33 ? A -3.247 -3.304 20.660 1.000 1 A 28.360 1
ATOM 236 N N . ASP 34 34 ? A 2.104 1.366 22.461 1.000 1 A 29.150 1
ATOM 237 C CA . ASP 34 34 ? A 3.471 1.701 22.037 1.000 1 A 29.150 1
ATOM 238 C C . ASP 34 34 ? A 4.439 0.499 22.024 1.000 1 A 29.150 1
ATOM 239 C CB . ASP 34 34 ? A 4.022 2.867 22.889 1.000 1 A 29.150 1
ATOM 240 O O . ASP 34 34 ? A 5.587 0.644 22.418 1.000 1 A 29.150 1
ATOM 241 C CG . ASP 34 34 ? A 3.507 4.246 22.486 1.000 1 A 29.150 1
ATOM 242 O OD1 . ASP 34 34 ? A 3.086 4.406 21.317 1.000 1 A 29.150 1
ATOM 243 O OD2 . ASP 34 34 ? A 3.614 5.148 23.344 1.000 1 A 29.150 1
ATOM 244 N N . VAL 35 35 ? A 4.051 -0.711 21.592 1.000 1 A 32.090 1
ATOM 245 C CA . VAL 35 35 ? A 5.066 -1.748 21.278 1.000 1 A 32.090 1
ATOM 246 C C . VAL 35 35 ? A 4.572 -2.783 20.266 1.000 1 A 32.090 1
ATOM 247 C CB . VAL 35 35 ? A 5.696 -2.473 22.511 1.000 1 A 32.090 1
ATOM 248 O O . VAL 35 35 ? A 4.545 -3.981 20.544 1.000 1 A 32.090 1
ATOM 249 C CG1 . VAL 35 35 ? A 7.136 -2.876 22.145 1.000 1 A 32.090 1
ATOM 250 C CG2 . VAL 35 35 ? A 5.777 -1.770 23.872 1.000 1 A 32.090 1
ATOM 251 N N . ILE 36 36 ? A 4.195 -2.372 19.056 1.000 1 A 27.050 1
ATOM 252 C CA . ILE 36 36 ? A 4.357 -3.304 17.937 1.000 1 A 27.050 1
ATOM 253 C C . ILE 36 36 ? A 5.012 -2.593 16.763 1.000 1 A 27.050 1
ATOM 254 C CB . ILE 36 36 ? A 3.073 -4.077 17.550 1.000 1 A 27.050 1
ATOM 255 O O . ILE 36 36 ? A 4.357 -1.894 15.992 1.000 1 A 27.050 1
ATOM 256 C CG1 . ILE 36 36 ? A 2.266 -4.662 18.737 1.000 1 A 27.050 1
ATOM 257 C CG2 . ILE 36 36 ? A 3.565 -5.233 16.672 1.000 1 A 27.050 1
ATOM 258 C CD1 . ILE 36 36 ? A 0.919 -5.306 18.370 1.000 1 A 27.050 1
ATOM 259 N N . ASP 37 37 ? A 6.320 -2.805 16.625 1.000 1 A 34.210 1
ATOM 260 C CA . ASP 37 37 ? A 7.047 -2.462 15.411 1.000 1 A 34.210 1
ATOM 261 C C . ASP 37 37 ? A 6.323 -3.092 14.205 1.000 1 A 34.210 1
ATOM 262 C CB . ASP 37 37 ? A 8.497 -2.979 15.492 1.000 1 A 34.210 1
ATOM 263 O O . ASP 37 37 ? A 6.094 -4.307 14.193 1.000 1 A 34.210 1
ATOM 264 C CG . ASP 37 37 ? A 9.484 -1.893 15.923 1.000 1 A 34.210 1
ATOM 265 O OD1 . ASP 37 37 ? A 9.402 -0.799 15.321 1.000 1 A 34.210 1
ATOM 266 O OD2 . ASP 37 37 ? A 10.341 -2.190 16.781 1.000 1 A 34.210 1
ATOM 267 N N . PRO 38 38 ? A 5.984 -2.331 13.148 1.000 1 A 34.740 1
ATOM 268 C CA . PRO 38 38 ? A 5.390 -2.892 11.933 1.000 1 A 34.740 1
ATOM 269 C C . PRO 38 38 ? A 6.235 -4.010 11.299 1.000 1 A 34.740 1
ATOM 270 C CB . PRO 38 38 ? A 5.230 -1.698 10.986 1.000 1 A 34.740 1
ATOM 271 O O . PRO 38 38 ? A 5.710 -4.840 10.556 1.000 1 A 34.740 1
ATOM 272 C CG . PRO 38 38 ? A 5.079 -0.509 11.936 1.000 1 A 34.740 1
ATOM 273 C CD . PRO 38 38 ? A 5.996 -0.878 13.098 1.000 1 A 34.740 1
ATOM 274 N N . LEU 39 39 ? A 7.537 -4.056 11.606 1.000 1 A 39.090 1
ATOM 275 C CA . LEU 39 39 ? A 8.429 -5.151 11.227 1.000 1 A 39.090 1
ATOM 276 C C . LEU 39 39 ? A 8.118 -6.463 11.971 1.000 1 A 39.090 1
ATOM 277 C CB . LEU 39 39 ? A 9.884 -4.693 11.441 1.000 1 A 39.090 1
ATOM 278 O O . LEU 39 39 ? A 8.243 -7.523 11.363 1.000 1 A 39.090 1
ATOM 279 C CG . LEU 39 39 ? A 10.377 -3.771 10.310 1.000 1 A 39.090 1
ATOM 280 C CD1 . LEU 39 39 ? A 11.524 -2.884 10.787 1.000 1 A 39.090 1
ATOM 281 C CD2 . LEU 39 39 ? A 10.869 -4.585 9.106 1.000 1 A 39.090 1
ATOM 282 N N . GLU 40 40 ? A 7.638 -6.417 13.215 1.000 1 A 35.650 1
ATOM 283 C CA . GLU 40 40 ? A 7.258 -7.611 13.982 1.000 1 A 35.650 1
ATOM 284 C C . GLU 40 40 ? A 5.839 -8.104 13.649 1.000 1 A 35.650 1
ATOM 285 C CB . GLU 40 40 ? A 7.430 -7.362 15.490 1.000 1 A 35.650 1
ATOM 286 O O . GLU 40 40 ? A 5.605 -9.310 13.626 1.000 1 A 35.650 1
ATOM 287 C CG . GLU 40 40 ? A 8.906 -7.294 15.928 1.000 1 A 35.650 1
ATOM 288 C CD . GLU 40 40 ? A 9.689 -8.594 15.656 1.000 1 A 35.650 1
ATOM 289 O OE1 . GLU 40 40 ? A 10.895 -8.501 15.330 1.000 1 A 35.650 1
ATOM 290 O OE2 . GLU 40 40 ? A 9.072 -9.682 15.725 1.000 1 A 35.650 1
ATOM 291 N N . ILE 41 41 ? A 4.885 -7.239 13.266 1.000 1 A 41.620 1
ATOM 292 C CA . ILE 41 41 ? A 3.614 -7.738 12.681 1.000 1 A 41.620 1
ATOM 293 C C . ILE 41 41 ? A 3.863 -8.393 11.328 1.000 1 A 41.620 1
ATOM 294 C CB . ILE 41 41 ? A 2.498 -6.674 12.611 1.000 1 A 41.620 1
ATOM 295 O O . ILE 41 41 ? A 3.306 -9.450 11.040 1.000 1 A 41.620 1
ATOM 296 C CG1 . ILE 41 41 ? A 1.924 -6.512 14.022 1.000 1 A 41.620 1
ATOM 297 C CG2 . ILE 41 41 ? A 1.328 -7.084 11.694 1.000 1 A 41.620 1
ATOM 298 C CD1 . ILE 41 41 ? A 1.220 -5.169 14.260 1.000 1 A 41.620 1
ATOM 299 N N . ALA 42 42 ? A 4.742 -7.818 10.507 1.000 1 A 41.420 1
ATOM 300 C CA . ALA 42 42 ? A 5.122 -8.469 9.264 1.000 1 A 41.420 1
ATOM 301 C C . ALA 42 42 ? A 5.867 -9.800 9.495 1.000 1 A 41.420 1
ATOM 302 C CB . ALA 42 42 ? A 5.920 -7.482 8.415 1.000 1 A 41.420 1
ATOM 303 O O . ALA 42 42 ? A 5.816 -10.657 8.617 1.000 1 A 41.420 1
ATOM 304 N N . LEU 43 43 ? A 6.513 -9.998 10.654 1.000 1 A 39.030 1
ATOM 305 C CA . LEU 43 43 ? A 7.108 -11.282 11.033 1.000 1 A 39.030 1
ATOM 306 C C . LEU 43 43 ? A 6.090 -12.260 11.653 1.000 1 A 39.030 1
ATOM 307 C CB . LEU 43 43 ? A 8.321 -11.030 11.954 1.000 1 A 39.030 1
ATOM 308 O O . LEU 43 43 ? A 6.205 -13.460 11.423 1.000 1 A 39.030 1
ATOM 309 C CG . LEU 43 43 ? A 9.199 -12.277 12.183 1.000 1 A 39.030 1
ATOM 310 C CD1 . LEU 43 43 ? A 10.012 -12.676 10.942 1.000 1 A 39.030 1
ATOM 311 C CD2 . LEU 43 43 ? A 10.210 -12.033 13.300 1.000 1 A 39.030 1
ATOM 312 N N . THR 44 44 ? A 5.082 -11.785 12.391 1.000 1 A 36.610 1
ATOM 313 C CA . THR 44 44 ? A 4.086 -12.650 13.060 1.000 1 A 36.610 1
ATOM 314 C C . THR 44 44 ? A 2.907 -13.047 12.170 1.000 1 A 36.610 1
ATOM 315 C CB . THR 44 44 ? A 3.566 -12.051 14.374 1.000 1 A 36.610 1
ATOM 316 O O . THR 44 44 ? A 2.297 -14.080 12.419 1.000 1 A 36.610 1
ATOM 317 C CG2 . THR 44 44 ? A 4.635 -12.018 15.463 1.000 1 A 36.610 1
ATOM 318 O OG1 . THR 44 44 ? A 3.140 -10.727 14.193 1.000 1 A 36.610 1
ATOM 319 N N . VAL 45 45 ? A 2.618 -12.312 11.088 1.000 1 A 44.230 1
ATOM 320 C CA . VAL 45 45 ? A 1.672 -12.739 10.027 1.000 1 A 44.230 1
ATOM 321 C C . VAL 45 45 ? A 2.388 -13.593 8.963 1.000 1 A 44.230 1
ATOM 322 C CB . VAL 45 45 ? A 0.860 -11.551 9.448 1.000 1 A 44.230 1
ATOM 323 O O . VAL 45 45 ? A 2.001 -13.633 7.797 1.000 1 A 44.230 1
ATOM 324 C CG1 . VAL 45 45 ? A -0.322 -11.968 8.550 1.000 1 A 44.230 1
ATOM 325 C CG2 . VAL 45 45 ? A 0.211 -10.722 10.569 1.000 1 A 44.230 1
ATOM 326 N N . LEU 46 46 ? A 3.476 -14.267 9.341 1.000 1 A 36.270 1
ATOM 327 C CA . LEU 46 46 ? A 4.071 -15.318 8.527 1.000 1 A 36.270 1
ATOM 328 C C . LEU 46 46 ? A 3.433 -16.643 8.932 1.000 1 A 36.270 1
ATOM 329 C CB . LEU 46 46 ? A 5.601 -15.334 8.682 1.000 1 A 36.270 1
ATOM 330 O O . LEU 46 46 ? A 3.657 -17.126 10.038 1.000 1 A 36.270 1
ATOM 331 C CG . LEU 46 46 ? A 6.298 -14.062 8.171 1.000 1 A 36.270 1
ATOM 332 C CD1 . LEU 46 46 ? A 7.804 -14.173 8.419 1.000 1 A 36.270 1
ATOM 333 C CD2 . LEU 46 46 ? A 6.101 -13.831 6.670 1.000 1 A 36.270 1
ATOM 334 N N . GLU 47 47 ? A 2.664 -17.228 8.014 1.000 1 A 42.990 1
ATOM 335 C CA . GLU 47 47 ? A 2.270 -18.636 8.064 1.000 1 A 42.990 1
ATOM 336 C C . GLU 47 47 ? A 3.504 -19.482 8.416 1.000 1 A 42.990 1
ATOM 337 C CB . GLU 47 47 ? A 1.690 -19.045 6.698 1.000 1 A 42.990 1
ATOM 338 O O . GLU 47 47 ? A 4.515 -19.462 7.700 1.000 1 A 42.990 1
ATOM 339 C CG . GLU 47 47 ? A 0.268 -18.488 6.504 1.000 1 A 42.990 1
ATOM 340 C CD . GLU 47 47 ? A -0.202 -18.453 5.041 1.000 1 A 42.990 1
ATOM 341 O OE1 . GLU 47 47 ? A -1.426 -18.574 4.829 1.000 1 A 42.990 1
ATOM 342 O OE2 . GLU 47 47 ? A 0.653 -18.241 4.146 1.000 1 A 42.990 1
ATOM 343 N N . GLU 48 48 ? A 3.450 -20.172 9.561 1.000 1 A 49.400 1
ATOM 344 C CA . GLU 48 48 ? A 4.606 -20.845 10.169 1.000 1 A 49.400 1
ATOM 345 C C . GLU 48 48 ? A 5.278 -21.850 9.216 1.000 1 A 49.400 1
ATOM 346 C CB . GLU 48 48 ? A 4.200 -21.520 11.495 1.000 1 A 49.400 1
ATOM 347 O O . GLU 48 48 ? A 6.498 -22.038 9.279 1.000 1 A 49.400 1
ATOM 348 C CG . GLU 48 48 ? A 4.001 -20.503 12.633 1.000 1 A 49.400 1
ATOM 349 C CD . GLU 48 48 ? A 3.788 -21.174 14.002 1.000 1 A 49.400 1
ATOM 350 O OE1 . GLU 48 48 ? A 4.417 -20.703 14.979 1.000 1 A 49.400 1
ATOM 351 O OE2 . GLU 48 48 ? A 3.018 -22.156 14.065 1.000 1 A 49.400 1
ATOM 352 N N . ASP 49 49 ? A 4.532 -22.378 8.244 1.000 1 A 48.380 1
ATOM 353 C CA . ASP 49 49 ? A 4.990 -23.389 7.289 1.000 1 A 48.380 1
ATOM 354 C C . ASP 49 49 ? A 5.638 -22.842 6.004 1.000 1 A 48.380 1
ATOM 355 C CB . ASP 49 49 ? A 3.832 -24.355 7.005 1.000 1 A 48.380 1
ATOM 356 O O . ASP 49 49 ? A 6.036 -23.610 5.122 1.000 1 A 48.380 1
ATOM 357 C CG . ASP 49 49 ? A 3.544 -25.270 8.198 1.000 1 A 48.380 1
ATOM 358 O OD1 . ASP 49 49 ? A 4.514 -25.618 8.912 1.000 1 A 48.380 1
ATOM 359 O OD2 . ASP 49 49 ? A 2.368 -25.662 8.341 1.000 1 A 48.380 1
ATOM 360 N N . ALA 50 50 ? A 5.833 -21.526 5.873 1.000 1 A 50.610 1
ATOM 361 C CA . ALA 50 50 ? A 6.495 -20.987 4.690 1.000 1 A 50.610 1
ATOM 362 C C . ALA 50 50 ? A 7.996 -21.380 4.654 1.000 1 A 50.610 1
ATOM 363 C CB . ALA 50 50 ? A 6.266 -19.476 4.612 1.000 1 A 50.610 1
ATOM 364 O O . ALA 50 50 ? A 8.753 -21.059 5.586 1.000 1 A 50.610 1
ATOM 365 N N . PRO 51 51 ? A 8.495 -22.015 3.568 1.000 1 A 50.650 1
ATOM 366 C CA . PRO 51 51 ? A 9.886 -22.448 3.473 1.000 1 A 50.650 1
ATOM 367 C C . PRO 51 51 ? A 10.843 -21.258 3.595 1.000 1 A 50.650 1
ATOM 368 C CB . PRO 51 51 ? A 10.008 -23.176 2.125 1.000 1 A 50.650 1
ATOM 369 O O . PRO 51 51 ? A 10.536 -20.147 3.167 1.000 1 A 50.650 1
ATOM 370 C CG . PRO 51 51 ? A 8.843 -22.627 1.300 1.000 1 A 50.650 1
ATOM 371 C CD . PRO 51 51 ? A 7.772 -22.350 2.351 1.000 1 A 50.650 1
ATOM 372 N N . ARG 52 52 ? A 12.064 -21.482 4.105 1.000 1 A 54.410 1
ATOM 373 C CA . ARG 52 52 ? A 13.059 -20.414 4.381 1.000 1 A 54.410 1
ATOM 374 C C . ARG 52 52 ? A 13.281 -19.433 3.212 1.000 1 A 54.410 1
ATOM 375 C CB . ARG 52 52 ? A 14.409 -21.035 4.791 1.000 1 A 54.410 1
ATOM 376 O O . ARG 52 52 ? A 13.571 -18.261 3.438 1.000 1 A 54.410 1
ATOM 377 C CG . ARG 52 52 ? A 14.355 -21.888 6.071 1.000 1 A 54.410 1
ATOM 378 C CD . ARG 52 52 ? A 15.762 -22.382 6.444 1.000 1 A 54.410 1
ATOM 379 N NE . ARG 52 52 ? A 15.721 -23.432 7.480 1.000 1 A 54.410 1
ATOM 380 N NH1 . ARG 52 52 ? A 17.952 -24.006 7.445 1.000 1 A 54.410 1
ATOM 381 N NH2 . ARG 52 52 ? A 16.547 -25.123 8.767 1.000 1 A 54.410 1
ATOM 382 C CZ . ARG 52 52 ? A 16.736 -24.178 7.890 1.000 1 A 54.410 1
ATOM 383 N N . ARG 53 53 ? A 13.125 -19.894 1.962 1.000 1 A 53.370 1
ATOM 384 C CA . ARG 53 53 ? A 13.199 -19.056 0.748 1.000 1 A 53.370 1
ATOM 385 C C . ARG 53 53 ? A 12.026 -18.078 0.599 1.000 1 A 53.370 1
ATOM 386 C CB . ARG 53 53 ? A 13.298 -19.937 -0.509 1.000 1 A 53.370 1
ATOM 387 O O . ARG 53 53 ? A 12.245 -16.988 0.082 1.000 1 A 53.370 1
ATOM 388 C CG . ARG 53 53 ? A 14.677 -20.590 -0.683 1.000 1 A 53.370 1
ATOM 389 C CD . ARG 53 53 ? A 14.735 -21.355 -2.013 1.000 1 A 53.370 1
ATOM 390 N NE . ARG 53 53 ? A 16.090 -21.861 -2.306 1.000 1 A 53.370 1
ATOM 391 N NH1 . ARG 53 53 ? A 15.623 -22.849 -4.334 1.000 1 A 53.370 1
ATOM 392 N NH2 . ARG 53 53 ? A 17.706 -22.891 -3.546 1.000 1 A 53.370 1
ATOM 393 C CZ . ARG 53 53 ? A 16.464 -22.527 -3.389 1.000 1 A 53.370 1
ATOM 394 N N . ALA 54 54 ? A 10.819 -18.452 1.020 1.000 1 A 54.710 1
ATOM 395 C CA . ALA 54 54 ? A 9.655 -17.566 1.048 1.000 1 A 54.710 1
ATOM 396 C C . ALA 54 54 ? A 9.860 -16.454 2.089 1.000 1 A 54.710 1
ATOM 397 C CB . ALA 54 54 ? A 8.398 -18.404 1.308 1.000 1 A 54.710 1
ATOM 398 O O . ALA 54 54 ? A 9.831 -15.280 1.732 1.000 1 A 54.710 1
ATOM 399 N N . ARG 55 55 ? A 10.267 -16.812 3.318 1.000 1 A 52.330 1
ATOM 400 C CA . ARG 55 55 ? A 10.574 -15.838 4.388 1.000 1 A 52.330 1
ATOM 401 C C . ARG 55 55 ? A 11.621 -14.794 3.969 1.000 1 A 52.330 1
ATOM 402 C CB . ARG 55 55 ? A 11.035 -16.566 5.665 1.000 1 A 52.330 1
ATOM 403 O O . ARG 55 55 ? A 11.477 -13.605 4.240 1.000 1 A 52.330 1
ATOM 404 C CG . ARG 55 55 ? A 9.994 -17.535 6.257 1.000 1 A 52.330 1
ATOM 405 C CD . ARG 55 55 ? A 10.470 -18.051 7.624 1.000 1 A 52.330 1
ATOM 406 N NE . ARG 55 55 ? A 9.574 -19.081 8.190 1.000 1 A 52.330 1
ATOM 407 N NH1 . ARG 55 55 ? A 10.371 -19.034 10.348 1.000 1 A 52.330 1
ATOM 408 N NH2 . ARG 55 55 ? A 8.702 -20.404 9.848 1.000 1 A 52.330 1
ATOM 409 C CZ . ARG 55 55 ? A 9.547 -19.500 9.448 1.000 1 A 52.330 1
ATOM 410 N N . ALA 56 56 ? A 12.686 -15.223 3.283 1.000 1 A 56.180 1
ATOM 411 C CA . ALA 56 56 ? A 13.733 -14.314 2.810 1.000 1 A 56.180 1
ATOM 412 C C . ALA 56 56 ? A 13.245 -13.346 1.715 1.000 1 A 56.180 1
ATOM 413 C CB . ALA 56 56 ? A 14.923 -15.149 2.322 1.000 1 A 56.180 1
ATOM 414 O O . ALA 56 56 ? A 13.686 -12.193 1.685 1.000 1 A 56.180 1
ATOM 415 N N . ARG 57 57 ? A 12.346 -13.801 0.828 1.000 1 A 57.500 1
ATOM 416 C CA . ARG 57 57 ? A 11.738 -12.954 -0.209 1.000 1 A 57.500 1
ATOM 417 C C . ARG 57 57 ? A 10.845 -11.886 0.407 1.000 1 A 57.500 1
ATOM 418 C CB . ARG 57 57 ? A 10.949 -13.795 -1.223 1.000 1 A 57.500 1
ATOM 419 O O . ARG 57 57 ? A 11.016 -10.720 0.059 1.000 1 A 57.500 1
ATOM 420 C CG . ARG 57 57 ? A 11.874 -14.437 -2.261 1.000 1 A 57.500 1
ATOM 421 C CD . ARG 57 57 ? A 11.040 -15.150 -3.328 1.000 1 A 57.500 1
ATOM 422 N NE . ARG 57 57 ? A 11.882 -15.605 -4.454 1.000 1 A 57.500 1
ATOM 423 N NH1 . ARG 57 57 ? A 11.913 -17.847 -3.968 1.000 1 A 57.500 1
ATOM 424 N NH2 . ARG 57 57 ? A 12.908 -17.102 -5.826 1.000 1 A 57.500 1
ATOM 425 C CZ . ARG 57 57 ? A 12.234 -16.845 -4.738 1.000 1 A 57.500 1
ATOM 426 N N . ASP 58 58 ? A 10.013 -12.255 1.375 1.000 1 A 60.510 1
ATOM 427 C CA . ASP 58 58 ? A 9.129 -11.316 2.071 1.000 1 A 60.510 1
ATOM 428 C C . ASP 58 58 ? A 9.931 -10.242 2.806 1.000 1 A 60.510 1
ATOM 429 C CB . ASP 58 58 ? A 8.210 -12.084 3.033 1.000 1 A 60.510 1
ATOM 430 O O . ASP 58 58 ? A 9.677 -9.049 2.641 1.000 1 A 60.510 1
ATOM 431 C CG . ASP 58 58 ? A 7.089 -12.834 2.305 1.000 1 A 60.510 1
ATOM 432 O OD1 . ASP 58 58 ? A 7.113 -12.865 1.054 1.000 1 A 60.510 1
ATOM 433 O OD2 . ASP 58 58 ? A 6.204 -13.352 3.012 1.000 1 A 60.510 1
ATOM 434 N N . ARG 59 59 ? A 11.002 -10.632 3.512 1.000 1 A 61.980 1
ATOM 435 C CA . ARG 59 59 ? A 11.880 -9.671 4.195 1.000 1 A 61.980 1
ATOM 436 C C . ARG 59 59 ? A 12.486 -8.647 3.236 1.000 1 A 61.980 1
ATOM 437 C CB . ARG 59 59 ? A 12.965 -10.429 4.970 1.000 1 A 61.980 1
ATOM 438 O O . ARG 59 59 ? A 12.623 -7.473 3.588 1.000 1 A 61.980 1
ATOM 439 C CG . ARG 59 59 ? A 13.693 -9.497 5.953 1.000 1 A 61.980 1
ATOM 440 C CD . ARG 59 59 ? A 14.703 -10.260 6.813 1.000 1 A 61.980 1
ATOM 441 N NE . ARG 59 59 ? A 15.858 -10.733 6.021 1.000 1 A 61.980 1
ATOM 442 N NH1 . ARG 59 59 ? A 16.773 -12.069 7.646 1.000 1 A 61.980 1
ATOM 443 N NH2 . ARG 59 59 ? A 17.819 -11.843 5.686 1.000 1 A 61.980 1
ATOM 444 C CZ . ARG 59 59 ? A 16.806 -11.546 6.452 1.000 1 A 61.980 1
ATOM 445 N N . ARG 60 60 ? A 12.874 -9.063 2.021 1.000 1 A 63.400 1
ATOM 446 C CA . ARG 60 60 ? A 13.421 -8.114 1.046 1.000 1 A 63.400 1
ATOM 447 C C . ARG 60 60 ? A 12.340 -7.240 0.418 1.000 1 A 63.400 1
ATOM 448 C CB . ARG 60 60 ? A 14.316 -8.800 -0.001 1.000 1 A 63.400 1
ATOM 449 O O . ARG 60 60 ? A 12.587 -6.049 0.245 1.000 1 A 63.400 1
ATOM 450 C CG . ARG 60 60 ? A 15.036 -7.812 -0.950 1.000 1 A 63.400 1
ATOM 451 C CD . ARG 60 60 ? A 16.179 -6.976 -0.336 1.000 1 A 63.400 1
ATOM 452 N NE . ARG 60 60 ? A 15.779 -6.165 0.830 1.000 1 A 63.400 1
ATOM 453 N NH1 . ARG 60 60 ? A 17.858 -5.587 1.595 1.000 1 A 63.400 1
ATOM 454 N NH2 . ARG 60 60 ? A 16.149 -5.479 2.989 1.000 1 A 63.400 1
ATOM 455 C CZ . ARG 60 60 ? A 16.582 -5.739 1.792 1.000 1 A 63.400 1
ATOM 456 N N . ALA 61 61 ? A 11.176 -7.814 0.133 1.000 1 A 71.600 1
ATOM 457 C CA . ALA 61 61 ? A 10.016 -7.124 -0.417 1.000 1 A 71.600 1
ATOM 458 C C . ALA 61 61 ? A 9.493 -6.012 0.519 1.000 1 A 71.600 1
ATOM 459 C CB . ALA 61 61 ? A 8.962 -8.203 -0.694 1.000 1 A 71.600 1
ATOM 460 O O . ALA 61 61 ? A 9.169 -4.919 0.048 1.000 1 A 71.600 1
ATOM 461 N N . ILE 62 62 ? A 9.493 -6.256 1.836 1.000 1 A 68.130 1
ATOM 462 C CA . ILE 62 62 ? A 9.085 -5.283 2.864 1.000 1 A 68.130 1
ATOM 463 C C . ILE 62 62 ? A 10.036 -4.086 2.903 1.000 1 A 68.130 1
ATOM 464 C CB . ILE 62 62 ? A 9.011 -5.979 4.245 1.000 1 A 68.130 1
ATOM 465 O O . ILE 62 62 ? A 9.604 -2.938 2.824 1.000 1 A 68.130 1
ATOM 466 C CG1 . ILE 62 62 ? A 7.813 -6.952 4.288 1.000 1 A 68.130 1
ATOM 467 C CG2 . ILE 62 62 ? A 8.898 -4.967 5.407 1.000 1 A 68.130 1
ATOM 468 C CD1 . ILE 62 62 ? A 7.954 -8.016 5.381 1.000 1 A 68.130 1
ATOM 469 N N . ALA 63 63 ? A 11.338 -4.350 2.997 1.000 1 A 68.330 1
ATOM 470 C CA . ALA 63 63 ? A 12.348 -3.309 3.177 1.000 1 A 68.330 1
ATOM 471 C C . ALA 63 63 ? A 12.512 -2.372 1.970 1.000 1 A 68.330 1
ATOM 472 C CB . ALA 63 63 ? A 13.654 -4.029 3.438 1.000 1 A 68.330 1
ATOM 473 O O . ALA 63 63 ? A 13.087 -1.301 2.099 1.000 1 A 68.330 1
ATOM 474 N N . ASN 64 64 ? A 12.027 -2.784 0.800 1.000 1 A 79.400 1
ATOM 475 C CA . ASN 64 64 ? A 12.115 -2.021 -0.442 1.000 1 A 79.400 1
ATOM 476 C C . ASN 64 64 ? A 10.869 -1.152 -0.698 1.000 1 A 79.400 1
ATOM 477 C CB . ASN 64 64 ? A 12.385 -3.026 -1.571 1.000 1 A 79.400 1
ATOM 478 O O . ASN 64 64 ? A 10.655 -0.694 -1.819 1.000 1 A 79.400 1
ATOM 479 C CG . ASN 64 64 ? A 13.818 -3.525 -1.622 1.000 1 A 79.400 1
ATOM 480 N ND2 . ASN 64 64 ? A 14.109 -4.393 -2.561 1.000 1 A 79.400 1
ATOM 481 O OD1 . ASN 64 64 ? A 14.703 -3.175 -0.861 1.000 1 A 79.400 1
ATOM 482 N N . THR 65 65 ? A 10.006 -0.984 0.304 1.000 1 A 84.430 1
ATOM 483 C CA . THR 65 65 ? A 8.715 -0.305 0.162 1.000 1 A 84.430 1
ATOM 484 C C . THR 65 65 ? A 8.527 0.630 1.337 1.000 1 A 84.430 1
ATOM 485 C CB . THR 65 65 ? A 7.584 -1.338 0.074 1.000 1 A 84.430 1
ATOM 486 O O . THR 65 65 ? A 8.047 0.201 2.384 1.000 1 A 84.430 1
ATOM 487 C CG2 . THR 65 65 ? A 6.243 -0.722 -0.311 1.000 1 A 84.430 1
ATOM 488 O OG1 . THR 65 65 ? A 7.921 -2.271 -0.922 1.000 1 A 84.430 1
ATOM 489 N N . ASN 66 66 ? A 8.944 1.885 1.180 1.000 1 A 93.170 1
ATOM 490 C CA . ASN 66 66 ? A 8.750 2.913 2.197 1.000 1 A 93.170 1
ATOM 491 C C . ASN 66 66 ? A 7.258 3.214 2.321 1.000 1 A 93.170 1
ATOM 492 C CB . ASN 66 66 ? A 9.557 4.168 1.845 1.000 1 A 93.170 1
ATOM 493 O O . ASN 66 66 ? A 6.568 3.358 1.310 1.000 1 A 93.170 1
ATOM 494 C CG . ASN 66 66 ? A 11.055 3.950 1.882 1.000 1 A 93.170 1
ATOM 495 N ND2 . ASN 66 66 ? A 11.796 4.864 1.308 1.000 1 A 93.170 1
ATOM 496 O OD1 . ASN 66 66 ? A 11.566 2.967 2.400 1.000 1 A 93.170 1
ATOM 497 N N . VAL 67 67 ? A 6.766 3.236 3.558 1.000 1 A 97.040 1
ATOM 498 C CA . VAL 67 67 ? A 5.360 3.503 3.856 1.000 1 A 97.040 1
ATOM 499 C C . VAL 67 67 ? A 5.271 4.391 5.077 1.000 1 A 97.040 1
ATOM 500 C CB . VAL 67 67 ? A 4.527 2.231 4.120 1.000 1 A 97.040 1
ATOM 501 O O . VAL 67 67 ? A 5.792 4.009 6.125 1.000 1 A 97.040 1
ATOM 502 C CG1 . VAL 67 67 ? A 3.045 2.588 4.331 1.000 1 A 97.040 1
ATOM 503 C CG2 . VAL 67 67 ? A 4.610 1.227 2.974 1.000 1 A 97.040 1
ATOM 504 N N . ASP 68 68 ? A 4.520 5.477 4.949 1.000 1 A 98.290 1
ATOM 505 C CA . ASP 68 68 ? A 4.006 6.236 6.081 1.000 1 A 98.290 1
ATOM 506 C C . ASP 68 68 ? A 2.569 5.802 6.373 1.000 1 A 98.290 1
ATOM 507 C CB . ASP 68 68 ? A 4.059 7.742 5.805 1.000 1 A 98.290 1
ATOM 508 O O . ASP 68 68 ? A 1.747 5.682 5.460 1.000 1 A 98.290 1
ATOM 509 C CG . ASP 68 68 ? A 5.478 8.306 5.716 1.000 1 A 98.290 1
ATOM 510 O OD1 . ASP 68 68 ? A 6.390 7.712 6.333 1.000 1 A 98.290 1
ATOM 511 O OD2 . ASP 68 68 ? A 5.604 9.367 5.066 1.000 1 A 98.290 1
ATOM 512 N N . TRP 69 69 ? A 2.250 5.600 7.650 1.000 1 A 98.340 1
ATOM 513 C CA . TRP 69 69 ? A 0.879 5.440 8.126 1.000 1 A 98.340 1
ATOM 514 C C . TRP 69 69 ? A 0.527 6.634 9.010 1.000 1 A 98.340 1
ATOM 515 C CB . TRP 69 69 ? A 0.710 4.102 8.854 1.000 1 A 98.340 1
ATOM 516 O O . TRP 69 69 ? A 1.099 6.821 10.079 1.000 1 A 98.340 1
ATOM 517 C CG . TRP 69 69 ? A -0.662 3.797 9.389 1.000 1 A 98.340 1
ATOM 518 C CD1 . TRP 69 69 ? A -1.797 4.507 9.175 1.000 1 A 98.340 1
ATOM 519 C CD2 . TRP 69 69 ? A -1.073 2.644 10.187 1.000 1 A 98.340 1
ATOM 520 C CE2 . TRP 69 69 ? A -2.471 2.747 10.448 1.000 1 A 98.340 1
ATOM 521 C CE3 . TRP 69 69 ? A -0.415 1.496 10.677 1.000 1 A 98.340 1
ATOM 522 N NE1 . TRP 69 69 ? A -2.848 3.914 9.832 1.000 1 A 98.340 1
ATOM 523 C CH2 . TRP 69 69 ? A -2.502 0.639 11.625 1.000 1 A 98.340 1
ATOM 524 C CZ2 . TRP 69 69 ? A -3.186 1.771 11.155 1.000 1 A 98.340 1
ATOM 525 C CZ3 . TRP 69 69 ? A -1.122 0.503 11.385 1.000 1 A 98.340 1
ATOM 526 N N . VAL 70 70 ? A -0.418 7.447 8.545 1.000 1 A 98.260 1
ATOM 527 C CA . VAL 70 70 ? A -0.936 8.616 9.254 1.000 1 A 98.260 1
ATOM 528 C C . VAL 70 70 ? A -2.375 8.352 9.671 1.000 1 A 98.260 1
ATOM 529 C CB . VAL 70 70 ? A -0.822 9.879 8.383 1.000 1 A 98.260 1
ATOM 530 O O . VAL 70 70 ? A -3.206 7.948 8.858 1.000 1 A 98.260 1
ATOM 531 C CG1 . VAL 70 70 ? A -1.313 11.125 9.132 1.000 1 A 98.260 1
ATOM 532 C CG2 . VAL 70 70 ? A 0.630 10.128 7.950 1.000 1 A 98.260 1
ATOM 533 N N . GLU 71 71 ? A -2.694 8.607 10.932 1.000 1 A 98.170 1
ATOM 534 C CA . GLU 71 71 ? A -4.065 8.602 11.427 1.000 1 A 98.170 1
ATOM 535 C C . GLU 71 71 ? A -4.597 10.034 11.539 1.000 1 A 98.170 1
ATOM 536 C CB . GLU 71 71 ? A -4.137 7.821 12.742 1.000 1 A 98.170 1
ATOM 537 O O . GLU 71 71 ? A -3.918 10.948 12.000 1.000 1 A 98.170 1
ATOM 538 C CG . GLU 71 71 ? A -5.580 7.683 13.245 1.000 1 A 98.170 1
ATOM 539 C CD . GLU 71 71 ? A -5.712 6.770 14.469 1.000 1 A 98.170 1
ATOM 540 O OE1 . GLU 71 71 ? A -6.838 6.736 15.018 1.000 1 A 98.170 1
ATOM 541 O OE2 . GLU 71 71 ? A -4.750 6.052 14.795 1.000 1 A 98.170 1
ATOM 542 N N . THR 72 72 ? A -5.839 10.222 11.114 1.000 1 A 96.780 1
ATOM 543 C CA . THR 72 72 ? A -6.628 11.442 11.306 1.000 1 A 96.780 1
ATOM 544 C C . THR 72 72 ? A -7.860 11.100 12.150 1.000 1 A 96.780 1
ATOM 545 C CB . THR 72 72 ? A -7.048 12.043 9.955 1.000 1 A 96.780 1
ATOM 546 O O . THR 72 72 ? A -8.169 9.914 12.314 1.000 1 A 96.780 1
ATOM 547 C CG2 . THR 72 72 ? A -5.874 12.293 9.010 1.000 1 A 96.780 1
ATOM 548 O OG1 . THR 72 72 ? A -7.942 11.178 9.302 1.000 1 A 96.780 1
ATOM 549 N N . PRO 73 73 ? A -8.620 12.081 12.667 1.000 1 A 95.360 1
ATOM 550 C CA . PRO 73 73 ? A -9.889 11.797 13.341 1.000 1 A 95.360 1
ATOM 551 C C . PRO 73 73 ? A -10.854 10.944 12.505 1.000 1 A 95.360 1
ATOM 552 C CB . PRO 73 73 ? A -10.487 13.167 13.666 1.000 1 A 95.360 1
ATOM 553 O O . PRO 73 73 ? A -11.551 10.112 13.074 1.000 1 A 95.360 1
ATOM 554 C CG . PRO 73 73 ? A -9.247 14.045 13.829 1.000 1 A 95.360 1
ATOM 555 C CD . PRO 73 73 ? A -8.307 13.500 12.755 1.000 1 A 95.360 1
ATOM 556 N N . GLU 74 74 ? A -10.803 11.080 11.177 1.000 1 A 96.170 1
ATOM 557 C CA . GLU 74 74 ? A -11.761 10.490 10.234 1.000 1 A 96.170 1
ATOM 558 C C . GLU 74 74 ? A -11.263 9.224 9.524 1.000 1 A 96.170 1
ATOM 559 C CB . GLU 74 74 ? A -12.093 11.543 9.161 1.000 1 A 96.170 1
ATOM 560 O O . GLU 74 74 ? A -12.061 8.479 8.962 1.000 1 A 96.170 1
ATOM 561 C CG . GLU 74 74 ? A -12.617 12.878 9.713 1.000 1 A 96.170 1
ATOM 562 C CD . GLU 74 74 ? A -13.862 12.725 10.596 1.000 1 A 96.170 1
ATOM 563 O OE1 . GLU 74 74 ? A -14.053 13.613 11.456 1.000 1 A 96.170 1
ATOM 564 O OE2 . GLU 74 74 ? A -14.596 11.739 10.385 1.000 1 A 96.170 1
ATOM 565 N N . ALA 75 75 ? A -9.950 8.976 9.475 1.000 1 A 98.200 1
ATOM 566 C CA . ALA 75 75 ? A -9.384 7.922 8.629 1.000 1 A 98.200 1
ATOM 567 C C . ALA 75 75 ? A -7.955 7.516 9.010 1.000 1 A 98.200 1
ATOM 568 C CB . ALA 75 75 ? A -9.388 8.415 7.171 1.000 1 A 98.200 1
ATOM 569 O O . ALA 75 75 ? A -7.190 8.313 9.555 1.000 1 A 98.200 1
ATOM 570 N N . HIS 76 76 ? A -7.573 6.307 8.605 1.000 1 A 98.600 1
ATOM 571 C CA . HIS 76 76 ? A -6.189 5.863 8.461 1.000 1 A 98.600 1
ATOM 572 C C . HIS 76 76 ? A -5.733 6.063 7.011 1.000 1 A 98.600 1
ATOM 573 C CB . HIS 76 76 ? A -6.086 4.390 8.866 1.000 1 A 98.600 1
ATOM 574 O O . HIS 76 76 ? A -6.436 5.689 6.075 1.000 1 A 98.600 1
ATOM 575 C CG . HIS 76 76 ? A -6.380 4.160 10.324 1.000 1 A 98.600 1
ATOM 576 C CD2 . HIS 76 76 ? A -7.584 3.741 10.823 1.000 1 A 98.600 1
ATOM 577 N ND1 . HIS 76 76 ? A -5.556 4.408 11.406 1.000 1 A 98.600 1
ATOM 578 C CE1 . HIS 76 76 ? A -6.250 4.140 12.522 1.000 1 A 98.600 1
ATOM 579 N NE2 . HIS 76 76 ? A -7.493 3.732 12.214 1.000 1 A 98.600 1
ATOM 580 N N . ILE 77 77 ? A -4.556 6.650 6.818 1.000 1 A 98.720 1
ATOM 581 C CA . ILE 77 77 ? A -4.007 7.007 5.510 1.000 1 A 98.720 1
ATOM 582 C C . ILE 77 77 ? A -2.625 6.370 5.379 1.000 1 A 98.720 1
ATOM 583 C CB . ILE 77 77 ? A -3.946 8.543 5.336 1.000 1 A 98.720 1
ATOM 584 O O . ILE 77 77 ? A -1.733 6.656 6.173 1.000 1 A 98.720 1
ATOM 585 C CG1 . ILE 77 77 ? A -5.325 9.202 5.590 1.000 1 A 98.720 1
ATOM 586 C CG2 . ILE 77 77 ? A -3.428 8.879 3.923 1.000 1 A 98.720 1
ATOM 587 C CD1 . ILE 77 77 ? A -5.299 10.735 5.581 1.000 1 A 98.720 1
ATOM 588 N N . PHE 78 78 ? A -2.440 5.537 4.361 1.000 1 A 98.720 1
ATOM 589 C CA . PHE 78 78 ? A -1.166 4.904 4.036 1.000 1 A 98.720 1
ATOM 590 C C . PHE 78 78 ? A -0.598 5.550 2.779 1.000 1 A 98.720 1
ATOM 591 C CB . PHE 78 78 ? A -1.349 3.394 3.846 1.000 1 A 98.720 1
ATOM 592 O O . PHE 78 78 ? A -1.270 5.565 1.749 1.000 1 A 98.720 1
ATOM 593 C CG . PHE 78 78 ? A -1.929 2.688 5.053 1.000 1 A 98.720 1
ATOM 594 C CD1 . PHE 78 78 ? A -1.072 2.075 5.983 1.000 1 A 98.720 1
ATOM 595 C CD2 . PHE 78 78 ? A -3.322 2.667 5.263 1.000 1 A 98.720 1
ATOM 596 C CE1 . PHE 78 78 ? A -1.607 1.440 7.115 1.000 1 A 98.720 1
ATOM 597 C CE2 . PHE 78 78 ? A -3.855 2.040 6.403 1.000 1 A 98.720 1
ATOM 598 C CZ . PHE 78 78 ? A -2.996 1.422 7.327 1.000 1 A 98.720 1
ATOM 599 N N . LYS 79 79 ? A 0.626 6.071 2.851 1.000 1 A 98.550 1
ATOM 600 C CA . LYS 79 79 ? A 1.346 6.641 1.706 1.000 1 A 98.550 1
ATOM 601 C C . LYS 79 79 ? A 2.537 5.756 1.388 1.000 1 A 98.550 1
ATOM 602 C CB . LYS 79 79 ? A 1.804 8.069 2.009 1.000 1 A 98.550 1
ATOM 603 O O . LYS 79 79 ? A 3.360 5.524 2.266 1.000 1 A 98.550 1
ATOM 604 C CG . LYS 79 79 ? A 0.631 9.017 2.278 1.000 1 A 98.550 1
ATOM 605 C CD . LYS 79 79 ? A 1.187 10.413 2.553 1.000 1 A 98.550 1
ATOM 606 C CE . LYS 79 79 ? A 0.053 11.387 2.864 1.000 1 A 98.550 1
ATOM 607 N NZ . LYS 79 79 ? A 0.601 12.739 3.116 1.000 1 A 98.550 1
ATOM 608 N N . VAL 80 80 ? A 2.608 5.236 0.168 1.000 1 A 98.180 1
ATOM 609 C CA . VAL 80 80 ? A 3.612 4.255 -0.253 1.000 1 A 98.180 1
ATOM 610 C C . VAL 80 80 ? A 4.386 4.773 -1.454 1.000 1 A 98.180 1
ATOM 611 C CB . VAL 80 80 ? A 2.977 2.893 -0.592 1.000 1 A 98.180 1
ATOM 612 O O . VAL 80 80 ? A 3.792 5.052 -2.497 1.000 1 A 98.180 1
ATOM 613 C CG1 . VAL 80 80 ? A 4.062 1.829 -0.806 1.000 1 A 98.180 1
ATOM 614 C CG2 . VAL 80 80 ? A 1.978 2.421 0.473 1.000 1 A 98.180 1
ATOM 615 N N . ASP 81 81 ? A 5.710 4.818 -1.335 1.000 1 A 96.330 1
ATOM 616 C CA . ASP 81 81 ? A 6.589 5.216 -2.435 1.000 1 A 96.330 1
ATOM 617 C C . ASP 81 81 ? A 6.697 4.093 -3.476 1.000 1 A 96.330 1
ATOM 618 C CB . ASP 81 81 ? A 7.980 5.602 -1.919 1.000 1 A 96.330 1
ATOM 619 O O . ASP 81 81 ? A 7.374 3.070 -3.285 1.000 1 A 96.330 1
ATOM 620 C CG . ASP 81 81 ? A 8.018 6.900 -1.111 1.000 1 A 96.330 1
ATOM 621 O OD1 . ASP 81 81 ? A 7.098 7.729 -1.278 1.000 1 A 96.330 1
ATOM 622 O OD2 . ASP 81 81 ? A 9.010 7.031 -0.357 1.000 1 A 96.330 1
ATOM 623 N N . LEU 82 82 ? A 6.043 4.299 -4.617 1.000 1 A 95.260 1
ATOM 624 C CA . LEU 82 82 ? A 6.016 3.394 -5.765 1.000 1 A 95.260 1
ATOM 625 C C . LEU 82 82 ? A 6.400 4.121 -7.076 1.000 1 A 95.260 1
ATOM 626 C CB . LEU 82 82 ? A 4.633 2.712 -5.835 1.000 1 A 95.260 1
ATOM 627 O O . LEU 82 82 ? A 5.685 4.008 -8.075 1.000 1 A 95.260 1
ATOM 628 C CG . LEU 82 82 ? A 4.228 1.875 -4.612 1.000 1 A 95.260 1
ATOM 629 C CD1 . LEU 82 82 ? A 2.849 1.266 -4.806 1.000 1 A 95.260 1
ATOM 630 C CD2 . LEU 82 82 ? A 5.172 0.701 -4.363 1.000 1 A 95.260 1
ATOM 631 N N . PRO 83 83 ? A 7.531 4.855 -7.128 1.000 1 A 93.330 1
ATOM 632 C CA . PRO 83 83 ? A 7.929 5.573 -8.334 1.000 1 A 93.330 1
ATOM 633 C C . PRO 83 83 ? A 8.160 4.608 -9.503 1.000 1 A 93.330 1
ATOM 634 C CB . PRO 83 83 ? A 9.194 6.349 -7.960 1.000 1 A 93.330 1
ATOM 635 O O . PRO 83 83 ? A 8.854 3.597 -9.370 1.000 1 A 93.330 1
ATOM 636 C CG . PRO 83 83 ? A 9.793 5.521 -6.824 1.000 1 A 93.330 1
ATOM 637 C CD . PRO 83 83 ? A 8.554 5.004 -6.100 1.000 1 A 93.330 1
ATOM 638 N N . GLY 84 84 ? A 7.579 4.940 -10.657 1.000 1 A 91.720 1
ATOM 639 C CA . GLY 84 84 ? A 7.667 4.138 -11.881 1.000 1 A 91.720 1
ATOM 640 C C . GLY 84 84 ? A 6.802 2.871 -11.894 1.000 1 A 91.720 1
ATOM 641 O O . GLY 84 84 ? A 6.890 2.100 -12.844 1.000 1 A 91.720 1
ATOM 642 N N . VAL 85 85 ? A 5.972 2.639 -10.873 1.000 1 A 93.010 1
ATOM 643 C CA . VAL 85 85 ? A 5.034 1.509 -10.835 1.000 1 A 93.010 1
ATOM 644 C C . VAL 85 85 ? A 3.673 1.977 -11.340 1.000 1 A 93.010 1
ATOM 645 C CB . VAL 85 85 ? A 4.922 0.918 -9.422 1.000 1 A 93.010 1
ATOM 646 O O . VAL 85 85 ? A 3.077 2.893 -10.775 1.000 1 A 93.010 1
ATOM 647 C CG1 . VAL 85 85 ? A 4.128 -0.390 -9.419 1.000 1 A 93.010 1
ATOM 648 C CG2 . VAL 85 85 ? A 6.303 0.611 -8.830 1.000 1 A 93.010 1
ATOM 649 N N . GLY 86 86 ? A 3.180 1.362 -12.416 1.000 1 A 91.850 1
ATOM 650 C CA . GLY 86 86 ? A 1.838 1.634 -12.931 1.000 1 A 91.850 1
ATOM 651 C C . GLY 86 86 ? A 0.753 1.107 -11.990 1.000 1 A 91.850 1
ATOM 652 O O . GLY 86 86 ? A 0.960 0.116 -11.296 1.000 1 A 91.850 1
ATOM 653 N N . SER 87 87 ? A -0.428 1.729 -11.988 1.000 1 A 93.600 1
ATOM 654 C CA . SER 87 87 ? A -1.547 1.311 -11.128 1.000 1 A 93.600 1
ATOM 655 C C . SER 87 87 ? A -2.011 -0.128 -11.379 1.000 1 A 93.600 1
ATOM 656 C CB . SER 87 87 ? A -2.731 2.266 -11.294 1.000 1 A 93.600 1
ATOM 657 O O . SER 87 87 ? A -2.427 -0.794 -10.440 1.000 1 A 93.600 1
ATOM 658 O OG . SER 87 87 ? A -3.069 2.399 -12.664 1.000 1 A 93.600 1
ATOM 659 N N . SER 88 88 ? A -1.884 -0.633 -12.610 1.000 1 A 94.330 1
ATOM 660 C CA . SER 88 88 ? A -2.182 -2.028 -12.965 1.000 1 A 94.330 1
ATOM 661 C C . SER 88 88 ? A -1.242 -3.051 -12.317 1.000 1 A 94.330 1
ATOM 662 C CB . SER 88 88 ? A -2.117 -2.189 -14.487 1.000 1 A 94.330 1
ATOM 663 O O . SER 88 88 ? A -1.589 -4.222 -12.234 1.000 1 A 94.330 1
ATOM 664 O OG . SER 88 88 ? A -0.845 -1.806 -14.985 1.000 1 A 94.330 1
ATOM 665 N N . GLU 89 89 ? A -0.062 -2.622 -11.860 1.000 1 A 93.620 1
ATOM 666 C CA . GLU 89 89 ? A 0.946 -3.472 -11.209 1.000 1 A 93.620 1
ATOM 667 C C . GLU 89 89 ? A 0.817 -3.473 -9.677 1.000 1 A 93.620 1
ATOM 668 C CB . GLU 89 89 ? A 2.356 -3.004 -11.611 1.000 1 A 93.620 1
ATOM 669 O O . GLU 89 89 ? A 1.647 -4.067 -8.982 1.000 1 A 93.620 1
ATOM 670 C CG . GLU 89 89 ? A 2.632 -3.020 -13.120 1.000 1 A 93.620 1
ATOM 671 C CD . GLU 89 89 ? A 2.516 -4.422 -13.731 1.000 1 A 93.620 1
ATOM 672 O OE1 . GLU 89 89 ? A 1.972 -4.502 -14.855 1.000 1 A 93.620 1
ATOM 673 O OE2 . GLU 89 89 ? A 2.995 -5.389 -13.090 1.000 1 A 93.620 1
ATOM 674 N N . ILE 90 90 ? A -0.188 -2.771 -9.142 1.000 1 A 96.440 1
ATOM 675 C CA . ILE 90 90 ? A -0.429 -2.596 -7.711 1.000 1 A 96.440 1
ATOM 676 C C . ILE 90 90 ? A -1.728 -3.306 -7.344 1.000 1 A 96.440 1
ATOM 677 C CB . ILE 90 90 ? A -0.482 -1.099 -7.331 1.000 1 A 96.440 1
ATOM 678 O O . ILE 90 90 ? A -2.801 -2.991 -7.847 1.000 1 A 96.440 1
ATOM 679 C CG1 . ILE 90 90 ? A 0.816 -0.365 -7.737 1.000 1 A 96.440 1
ATOM 680 C CG2 . ILE 90 90 ? A -0.726 -0.940 -5.816 1.000 1 A 96.440 1
ATOM 681 C CD1 . ILE 90 90 ? A 0.739 1.161 -7.612 1.000 1 A 96.440 1
ATOM 682 N N . GLU 91 91 ? A -1.635 -4.223 -6.393 1.000 1 A 98.060 1
ATOM 683 C CA . GLU 91 91 ? A -2.764 -4.896 -5.776 1.000 1 A 98.060 1
ATOM 684 C C . GLU 91 91 ? A -2.939 -4.389 -4.340 1.000 1 A 98.060 1
ATOM 685 C CB . GLU 91 91 ? A -2.531 -6.408 -5.847 1.000 1 A 98.060 1
ATOM 686 O O . GLU 91 91 ? A -2.003 -4.413 -3.533 1.000 1 A 98.060 1
ATOM 687 C CG . GLU 91 91 ? A -3.723 -7.193 -5.290 1.000 1 A 98.060 1
ATOM 688 C CD . GLU 91 91 ? A -3.496 -8.708 -5.363 1.000 1 A 98.060 1
ATOM 689 O OE1 . GLU 91 91 ? A -4.481 -9.429 -5.621 1.000 1 A 98.060 1
ATOM 690 O OE2 . GLU 91 91 ? A -2.350 -9.142 -5.080 1.000 1 A 98.060 1
ATOM 691 N N . VAL 92 92 ? A -4.153 -3.943 -4.016 1.000 1 A 98.080 1
ATOM 692 C CA . VAL 92 92 ? A -4.554 -3.539 -2.664 1.000 1 A 98.080 1
ATOM 693 C C . VAL 92 92 ? A -5.738 -4.401 -2.249 1.000 1 A 98.080 1
ATOM 694 C CB . VAL 92 92 ? A -4.891 -2.038 -2.579 1.000 1 A 98.080 1
ATOM 695 O O . VAL 92 92 ? A -6.780 -4.377 -2.896 1.000 1 A 98.080 1
ATOM 696 C CG1 . VAL 92 92 ? A -5.199 -1.637 -1.131 1.000 1 A 98.080 1
ATOM 697 C CG2 . VAL 92 92 ? A -3.725 -1.166 -3.064 1.000 1 A 98.080 1
ATOM 698 N N . THR 93 93 ? A -5.576 -5.174 -1.180 1.000 1 A 98.280 1
ATOM 699 C CA . THR 93 93 ? A -6.589 -6.119 -0.684 1.000 1 A 98.280 1
ATOM 700 C C . THR 93 93 ? A -6.767 -5.977 0.822 1.000 1 A 98.280 1
ATOM 701 C CB . THR 93 93 ? A -6.239 -7.575 -1.047 1.000 1 A 98.280 1
ATOM 702 O O . THR 93 93 ? A -5.861 -5.520 1.524 1.000 1 A 98.280 1
ATOM 703 C CG2 . THR 93 93 ? A -6.398 -7.841 -2.542 1.000 1 A 98.280 1
ATOM 704 O OG1 . THR 93 93 ? A -4.898 -7.871 -0.737 1.000 1 A 98.280 1
ATOM 705 N N . VAL 94 94 ? A -7.938 -6.367 1.329 1.000 1 A 97.450 1
ATOM 706 C CA . VAL 94 94 ? A -8.187 -6.514 2.766 1.000 1 A 97.450 1
ATOM 707 C C . VAL 94 94 ? A -8.749 -7.900 3.038 1.000 1 A 97.450 1
ATOM 708 C CB . VAL 94 94 ? A -9.110 -5.421 3.335 1.000 1 A 97.450 1
ATOM 709 O O . VAL 94 94 ? A -9.772 -8.274 2.475 1.000 1 A 97.450 1
ATOM 710 C CG1 . VAL 94 94 ? A -9.379 -5.628 4.836 1.000 1 A 97.450 1
ATOM 711 C CG2 . VAL 94 94 ? A -8.471 -4.038 3.193 1.000 1 A 97.450 1
ATOM 712 N N . GLU 95 95 ? A -8.099 -8.631 3.936 1.000 1 A 95.620 1
ATOM 713 C CA . GLU 95 95 ? A -8.534 -9.943 4.420 1.000 1 A 95.620 1
ATOM 714 C C . GLU 95 95 ? A -8.322 -9.992 5.935 1.000 1 A 95.620 1
ATOM 715 C CB . GLU 95 95 ? A -7.750 -11.036 3.686 1.000 1 A 95.620 1
ATOM 716 O O . GLU 95 95 ? A -7.293 -9.531 6.426 1.000 1 A 95.620 1
ATOM 717 C CG . GLU 95 95 ? A -8.213 -12.449 4.068 1.000 1 A 95.620 1
ATOM 718 C CD . GLU 95 95 ? A -7.538 -13.526 3.203 1.000 1 A 95.620 1
ATOM 719 O OE1 . GLU 95 95 ? A -8.159 -14.597 3.030 1.000 1 A 95.620 1
ATOM 720 O OE2 . GLU 95 95 ? A -6.425 -13.256 2.685 1.000 1 A 95.620 1
ATOM 721 N N . ASP 96 96 ? A -9.313 -10.451 6.704 1.000 1 A 95.130 1
ATOM 722 C CA . ASP 96 96 ? A -9.255 -10.504 8.176 1.000 1 A 95.130 1
ATOM 723 C C . ASP 96 96 ? A -8.807 -9.190 8.850 1.000 1 A 95.130 1
ATOM 724 C CB . ASP 96 96 ? A -8.458 -11.737 8.626 1.000 1 A 95.130 1
ATOM 725 O O . ASP 96 96 ? A -8.050 -9.170 9.825 1.000 1 A 95.130 1
ATOM 726 C CG . ASP 96 96 ? A -9.162 -13.040 8.246 1.000 1 A 95.130 1
ATOM 727 O OD1 . ASP 96 96 ? A -10.416 -13.019 8.214 1.000 1 A 95.130 1
ATOM 728 O OD2 . ASP 96 96 ? A -8.442 -14.043 8.082 1.000 1 A 95.130 1
ATOM 729 N N . ARG 97 97 ? A -9.289 -8.054 8.321 1.000 1 A 94.200 1
ATOM 730 C CA . ARG 97 97 ? A -8.888 -6.682 8.707 1.000 1 A 94.200 1
ATOM 731 C C . ARG 97 97 ? A -7.401 -6.376 8.493 1.000 1 A 94.200 1
ATOM 732 C CB . ARG 97 97 ? A -9.316 -6.333 10.147 1.000 1 A 94.200 1
ATOM 733 O O . ARG 97 97 ? A -6.892 -5.406 9.041 1.000 1 A 94.200 1
ATOM 734 C CG . ARG 97 97 ? A -10.814 -6.480 10.420 1.000 1 A 94.200 1
ATOM 735 C CD . ARG 97 97 ? A -11.089 -5.969 11.840 1.000 1 A 94.200 1
ATOM 736 N NE . ARG 97 97 ? A -12.532 -5.916 12.136 1.000 1 A 94.200 1
ATOM 737 N NH1 . ARG 97 97 ? A -12.713 -7.838 13.383 1.000 1 A 94.200 1
ATOM 738 N NH2 . ARG 97 97 ? A -14.521 -6.579 13.005 1.000 1 A 94.200 1
ATOM 739 C CZ . ARG 97 97 ? A -13.243 -6.775 12.841 1.000 1 A 94.200 1
ATOM 740 N N . THR 98 98 ? A -6.694 -7.159 7.694 1.000 1 A 97.430 1
ATOM 741 C CA . THR 98 98 ? A -5.321 -6.877 7.273 1.000 1 A 97.430 1
ATOM 742 C C . THR 98 98 ? A -5.337 -6.219 5.904 1.000 1 A 97.430 1
ATOM 743 C CB . THR 98 98 ? A -4.477 -8.154 7.255 1.000 1 A 97.430 1
ATOM 744 O O . THR 98 98 ? A -5.684 -6.861 4.918 1.000 1 A 97.430 1
ATOM 745 C CG2 . THR 98 98 ? A -3.023 -7.869 6.873 1.000 1 A 97.430 1
ATOM 746 O OG1 . THR 98 98 ? A -4.498 -8.713 8.548 1.000 1 A 97.430 1
ATOM 747 N N . LEU 99 99 ? A -4.927 -4.952 5.833 1.000 1 A 98.140 1
ATOM 748 C CA . LEU 99 99 ? A -4.640 -4.271 4.575 1.000 1 A 98.140 1
ATOM 749 C C . LEU 99 99 ? A -3.319 -4.793 4.014 1.000 1 A 98.140 1
ATOM 750 C CB . LEU 99 99 ? A -4.598 -2.751 4.812 1.000 1 A 98.140 1
ATOM 751 O O . LEU 99 99 ? A -2.276 -4.663 4.656 1.000 1 A 98.140 1
ATOM 752 C CG . LEU 99 99 ? A -4.245 -1.928 3.557 1.000 1 A 98.140 1
ATOM 753 C CD1 . LEU 99 99 ? A -5.370 -1.965 2.525 1.000 1 A 98.140 1
ATOM 754 C CD2 . LEU 99 99 ? A -3.988 -0.472 3.940 1.000 1 A 98.140 1
ATOM 755 N N . LYS 100 100 ? A -3.351 -5.343 2.804 1.000 1 A 97.490 1
ATOM 756 C CA . LYS 100 100 ? A -2.180 -5.803 2.060 1.000 1 A 97.490 1
ATOM 757 C C . LYS 100 100 ? A -2.003 -4.948 0.809 1.000 1 A 97.490 1
ATOM 758 C CB . LYS 100 100 ? A -2.358 -7.293 1.746 1.000 1 A 97.490 1
ATOM 759 O O . LYS 100 100 ? A -2.924 -4.804 0.013 1.000 1 A 97.490 1
ATOM 760 C CG . LYS 100 100 ? A -1.195 -7.890 0.937 1.000 1 A 97.490 1
ATOM 761 C CD . LYS 100 100 ? A -1.554 -9.314 0.498 1.000 1 A 97.490 1
ATOM 762 C CE . LYS 100 100 ? A -0.498 -9.882 -0.455 1.000 1 A 97.490 1
ATOM 763 N NZ . LYS 100 100 ? A -1.076 -10.964 -1.290 1.000 1 A 97.490 1
ATOM 764 N N . ILE 101 101 ? A -0.796 -4.416 0.637 1.000 1 A 97.720 1
ATOM 765 C CA . ILE 101 101 ? A -0.355 -3.680 -0.552 1.000 1 A 97.720 1
ATOM 766 C C . ILE 101 101 ? A 0.774 -4.492 -1.177 1.000 1 A 97.720 1
ATOM 767 C CB . ILE 101 101 ? A 0.101 -2.249 -0.179 1.000 1 A 97.720 1
ATOM 768 O O . ILE 101 101 ? A 1.805 -4.694 -0.532 1.000 1 A 97.720 1
ATOM 769 C CG1 . ILE 101 101 ? A -1.037 -1.473 0.525 1.000 1 A 97.720 1
ATOM 770 C CG2 . ILE 101 101 ? A 0.588 -1.504 -1.437 1.000 1 A 97.720 1
ATOM 771 C CD1 . ILE 101 101 ? A -0.618 -0.113 1.094 1.000 1 A 97.720 1
ATOM 772 N N . SER 102 102 ? A 0.592 -4.975 -2.402 1.000 1 A 95.860 1
ATOM 773 C CA . SER 102 102 ? A 1.585 -5.787 -3.109 1.000 1 A 95.860 1
ATOM 774 C C . SER 102 102 ? A 1.668 -5.465 -4.592 1.000 1 A 95.860 1
ATOM 775 C CB . SER 102 102 ? A 1.350 -7.291 -2.895 1.000 1 A 95.860 1
ATOM 776 O O . SER 102 102 ? A 0.778 -4.843 -5.153 1.000 1 A 95.860 1
ATOM 777 O OG . SER 102 102 ? A 0.002 -7.713 -3.007 1.000 1 A 95.860 1
ATOM 778 N N . GLY 103 103 ? A 2.753 -5.888 -5.233 1.000 1 A 94.890 1
ATOM 779 C CA . GLY 103 103 ? A 2.935 -5.696 -6.667 1.000 1 A 94.890 1
ATOM 780 C C . GLY 103 103 ? A 4.322 -6.093 -7.147 1.000 1 A 94.890 1
ATOM 781 O O . GLY 103 103 ? A 5.095 -6.724 -6.414 1.000 1 A 94.890 1
ATOM 782 N N . ASN 104 104 ? A 4.657 -5.714 -8.380 1.000 1 A 91.320 1
ATOM 783 C CA . ASN 104 104 ? A 5.989 -5.900 -8.950 1.000 1 A 91.320 1
ATOM 784 C C . ASN 104 104 ? A 6.536 -4.591 -9.527 1.000 1 A 91.320 1
ATOM 785 C CB . ASN 104 104 ? A 5.962 -7.018 -10.005 1.000 1 A 91.320 1
ATOM 786 O O . ASN 104 104 ? A 5.892 -3.920 -10.323 1.000 1 A 91.320 1
ATOM 787 C CG . ASN 104 104 ? A 5.962 -8.399 -9.379 1.000 1 A 91.320 1
ATOM 788 N ND2 . ASN 104 104 ? A 4.940 -9.187 -9.613 1.000 1 A 91.320 1
ATOM 789 O OD1 . ASN 104 104 ? A 6.892 -8.784 -8.683 1.000 1 A 91.320 1
ATOM 790 N N . ARG 105 105 ? A 7.774 -4.246 -9.156 1.000 1 A 90.370 1
ATOM 791 C CA . ARG 105 105 ? A 8.554 -3.206 -9.836 1.000 1 A 90.370 1
ATOM 792 C C . ARG 105 105 ? A 9.281 -3.829 -11.021 1.000 1 A 90.370 1
ATOM 793 C CB . ARG 105 105 ? A 9.538 -2.520 -8.874 1.000 1 A 90.370 1
ATOM 794 O O . ARG 105 105 ? A 10.057 -4.775 -10.831 1.000 1 A 90.370 1
ATOM 795 C CG . ARG 105 105 ? A 8.827 -1.838 -7.699 1.000 1 A 90.370 1
ATOM 796 C CD . ARG 105 105 ? A 9.775 -0.934 -6.904 1.000 1 A 90.370 1
ATOM 797 N NE . ARG 105 105 ? A 9.074 -0.172 -5.848 1.000 1 A 90.370 1
ATOM 798 N NH1 . ARG 105 105 ? A 8.907 -1.828 -4.269 1.000 1 A 90.370 1
ATOM 799 N NH2 . ARG 105 105 ? A 8.374 0.228 -3.700 1.000 1 A 90.370 1
ATOM 800 C CZ . ARG 105 105 ? A 8.781 -0.586 -4.626 1.000 1 A 90.370 1
ATOM 801 N N . VAL 106 106 ? A 9.064 -3.292 -12.218 1.000 1 A 82.980 1
ATOM 802 C CA . VAL 106 106 ? A 9.805 -3.702 -13.417 1.000 1 A 82.980 1
ATOM 803 C C . VAL 106 106 ? A 11.291 -3.396 -13.210 1.000 1 A 82.980 1
ATOM 804 C CB . VAL 106 106 ? A 9.242 -3.047 -14.695 1.000 1 A 82.980 1
ATOM 805 O O . VAL 106 106 ? A 11.656 -2.392 -12.598 1.000 1 A 82.980 1
ATOM 806 C CG1 . VAL 106 106 ? A 9.919 -3.605 -15.954 1.000 1 A 82.980 1
ATOM 807 C CG2 . VAL 106 106 ? A 7.737 -3.318 -14.833 1.000 1 A 82.980 1
ATOM 808 N N . LYS 107 107 ? A 12.164 -4.303 -13.656 1.000 1 A 74.380 1
ATOM 809 C CA . LYS 107 107 ? A 13.612 -4.069 -13.629 1.000 1 A 74.380 1
ATOM 810 C C . LYS 107 107 ? A 13.973 -3.111 -14.760 1.000 1 A 74.380 1
ATOM 811 C CB . LYS 107 107 ? A 14.386 -5.384 -13.791 1.000 1 A 74.380 1
ATOM 812 O O . LYS 107 107 ? A 13.513 -3.322 -15.879 1.000 1 A 74.380 1
ATOM 813 C CG . LYS 107 107 ? A 14.198 -6.344 -12.609 1.000 1 A 74.380 1
ATOM 814 C CD . LYS 107 107 ? A 15.031 -7.608 -12.834 1.000 1 A 74.380 1
ATOM 815 C CE . LYS 107 107 ? A 14.866 -8.585 -11.668 1.000 1 A 74.380 1
ATOM 816 N NZ . LYS 107 107 ? A 15.539 -9.871 -11.977 1.000 1 A 74.380 1
ATOM 817 N N . ASP 108 108 ? A 14.826 -2.128 -14.485 1.000 1 A 74.700 1
ATOM 818 C CA . ASP 108 108 ? A 15.444 -1.351 -15.560 1.000 1 A 74.700 1
ATOM 819 C C . ASP 108 108 ? A 16.191 -2.304 -16.512 1.000 1 A 74.700 1
ATOM 820 C CB . ASP 108 108 ? A 16.401 -0.286 -15.005 1.000 1 A 74.700 1
ATOM 821 O O . ASP 108 108 ? A 16.793 -3.295 -16.075 1.000 1 A 74.700 1
ATOM 822 C CG . ASP 108 108 ? A 15.764 0.682 -14.003 1.000 1 A 74.700 1
ATOM 823 O OD1 . ASP 108 108 ? A 14.769 1.376 -14.315 1.000 1 A 74.700 1
ATOM 824 O OD2 . ASP 108 108 ? A 16.297 0.774 -12.876 1.000 1 A 74.700 1
ATOM 825 N N . VAL 109 109 ? A 16.126 -2.017 -17.813 1.000 1 A 75.430 1
ATOM 826 C CA . VAL 109 109 ? A 16.880 -2.754 -18.831 1.000 1 A 75.430 1
ATOM 827 C C . VAL 109 109 ? A 18.364 -2.484 -18.598 1.000 1 A 75.430 1
ATOM 828 C CB . VAL 109 109 ? A 16.450 -2.358 -20.259 1.000 1 A 75.430 1
ATOM 829 O O . VAL 109 109 ? A 18.796 -1.335 -18.585 1.000 1 A 75.430 1
ATOM 830 C CG1 . VAL 109 109 ? A 17.238 -3.133 -21.323 1.000 1 A 75.430 1
ATOM 831 C CG2 . VAL 109 109 ? A 14.957 -2.651 -20.480 1.000 1 A 75.430 1
ATOM 832 N N . VAL 110 110 ? A 19.140 -3.546 -18.385 1.000 1 A 77.170 1
ATOM 833 C CA . VAL 110 110 ? A 20.603 -3.464 -18.365 1.000 1 A 77.170 1
ATOM 834 C C . VAL 110 110 ? A 21.060 -3.529 -19.815 1.000 1 A 77.170 1
ATOM 835 C CB . VAL 110 110 ? A 21.221 -4.600 -17.527 1.000 1 A 77.170 1
ATOM 836 O O . VAL 110 110 ? A 20.900 -4.575 -20.443 1.000 1 A 77.170 1
ATOM 837 C CG1 . VAL 110 110 ? A 22.753 -4.522 -17.515 1.000 1 A 77.170 1
ATOM 838 C CG2 . VAL 110 110 ? A 20.736 -4.553 -16.070 1.000 1 A 77.170 1
ATOM 839 N N . ASN 111 111 ? A 21.590 -2.431 -20.350 1.000 1 A 85.540 1
ATOM 840 C CA . ASN 111 111 ? A 22.138 -2.436 -21.702 1.000 1 A 85.540 1
ATOM 841 C C . ASN 111 111 ? A 23.575 -2.954 -21.682 1.000 1 A 85.540 1
ATOM 842 C CB . ASN 111 111 ? A 22.045 -1.055 -22.360 1.000 1 A 85.540 1
ATOM 843 O O . ASN 111 111 ? A 24.340 -2.704 -20.744 1.000 1 A 85.540 1
ATOM 844 C CG . ASN 111 111 ? A 20.671 -0.441 -22.223 1.000 1 A 85.540 1
ATOM 845 N ND2 . ASN 111 111 ? A 20.571 0.612 -21.450 1.000 1 A 85.540 1
ATOM 846 O OD1 . ASN 111 111 ? A 19.687 -0.926 -22.763 1.000 1 A 85.540 1
ATOM 847 N N . GLU 112 112 ? A 23.959 -3.665 -22.737 1.000 1 A 88.390 1
ATOM 848 C CA . GLU 112 112 ? A 25.359 -4.013 -22.951 1.000 1 A 88.390 1
ATOM 849 C C . GLU 112 112 ? A 26.188 -2.735 -23.145 1.000 1 A 88.390 1
ATOM 850 C CB . GLU 112 112 ? A 25.508 -4.961 -24.148 1.000 1 A 88.390 1
ATOM 851 O O . GLU 112 112 ? A 25.818 -1.851 -23.915 1.000 1 A 88.390 1
ATOM 852 C CG . GLU 112 112 ? A 24.900 -6.344 -23.863 1.000 1 A 88.390 1
ATOM 853 C CD . GLU 112 112 ? A 25.124 -7.356 -24.999 1.000 1 A 88.390 1
ATOM 854 O OE1 . GLU 112 112 ? A 24.751 -8.533 -24.788 1.000 1 A 88.390 1
ATOM 855 O OE2 . GLU 112 112 ? A 25.669 -6.966 -26.056 1.000 1 A 88.390 1
ATOM 856 N N . GLY 113 113 ? A 27.311 -2.640 -22.430 1.000 1 A 92.600 1
ATOM 857 C CA . GLY 113 113 ? A 28.210 -1.480 -22.454 1.000 1 A 92.600 1
ATOM 858 C C . GLY 113 113 ? A 28.030 -0.494 -21.293 1.000 1 A 92.600 1
ATOM 859 O O . GLY 113 113 ? A 28.950 0.278 -21.023 1.000 1 A 92.600 1
ATOM 860 N N . ASP 114 114 ? A 26.917 -0.549 -20.556 1.000 1 A 91.310 1
ATOM 861 C CA . ASP 114 114 ? A 26.696 0.341 -19.412 1.000 1 A 91.310 1
ATOM 862 C C . ASP 114 114 ? A 27.625 -0.010 -18.235 1.000 1 A 91.310 1
ATOM 863 C CB . ASP 114 114 ? A 25.219 0.324 -18.966 1.000 1 A 91.310 1
ATOM 864 O O . ASP 114 114 ? A 27.674 -1.151 -17.767 1.000 1 A 91.310 1
ATOM 865 C CG . ASP 114 114 ? A 24.251 1.040 -19.922 1.000 1 A 91.310 1
ATOM 866 O OD1 . ASP 114 114 ? A 24.725 1.814 -20.780 1.000 1 A 91.310 1
ATOM 867 O OD2 . ASP 114 114 ? A 23.022 0.837 -19.759 1.000 1 A 91.310 1
ATOM 868 N N . THR 115 115 ? A 28.333 0.990 -17.696 1.000 1 A 92.870 1
ATOM 869 C CA . THR 115 115 ? A 29.090 0.853 -16.440 1.000 1 A 92.870 1
ATOM 870 C C . THR 115 115 ? A 28.240 1.334 -15.269 1.000 1 A 92.870 1
ATOM 871 C CB . THR 115 115 ? A 30.438 1.582 -16.486 1.000 1 A 92.870 1
ATOM 872 O O . THR 115 115 ? A 27.990 2.526 -15.100 1.000 1 A 92.870 1
ATOM 873 C CG2 . THR 115 115 ? A 31.246 1.393 -15.198 1.000 1 A 92.870 1
ATOM 874 O OG1 . THR 115 115 ? A 31.214 1.036 -17.527 1.000 1 A 92.870 1
ATOM 875 N N . TRP 116 116 ? A 27.800 0.396 -14.434 1.000 1 A 87.850 1
ATOM 876 C CA . TRP 116 116 ? A 27.008 0.685 -13.242 1.000 1 A 87.850 1
ATOM 877 C C . TRP 116 116 ? A 27.928 1.015 -12.064 1.000 1 A 87.850 1
ATOM 878 C CB . TRP 116 116 ? A 26.103 -0.514 -12.932 1.000 1 A 87.850 1
ATOM 879 O O . TRP 116 116 ? A 28.620 0.137 -11.555 1.000 1 A 87.850 1
ATOM 880 C CG . TRP 116 116 ? A 25.000 -0.755 -13.918 1.000 1 A 87.850 1
ATOM 881 C CD1 . TRP 116 116 ? A 25.148 -1.175 -15.197 1.000 1 A 87.850 1
ATOM 882 C CD2 . TRP 116 116 ? A 23.564 -0.561 -13.730 1.000 1 A 87.850 1
ATOM 883 C CE2 . TRP 116 116 ? A 22.899 -0.903 -14.946 1.000 1 A 87.850 1
ATOM 884 C CE3 . TRP 116 116 ? A 22.759 -0.104 -12.662 1.000 1 A 87.850 1
ATOM 885 N NE1 . TRP 116 116 ? A 23.915 -1.239 -15.813 1.000 1 A 87.850 1
ATOM 886 C CH2 . TRP 116 116 ? A 20.732 -0.391 -13.996 1.000 1 A 87.850 1
ATOM 887 C CZ2 . TRP 116 116 ? A 21.506 -0.823 -15.086 1.000 1 A 87.850 1
ATOM 888 C CZ3 . TRP 116 116 ? A 21.358 -0.029 -12.789 1.000 1 A 87.850 1
ATOM 889 N N . HIS 117 117 ? A 27.917 2.265 -11.599 1.000 1 A 93.200 1
ATOM 890 C CA . HIS 117 117 ? A 28.669 2.667 -10.402 1.000 1 A 93.200 1
ATOM 891 C C . HIS 117 117 ? A 27.945 2.302 -9.097 1.000 1 A 93.200 1
ATOM 892 C CB . HIS 117 117 ? A 28.957 4.171 -10.464 1.000 1 A 93.200 1
ATOM 893 O O . HIS 117 117 ? A 28.588 1.945 -8.113 1.000 1 A 93.200 1
ATOM 894 C CG . HIS 117 117 ? A 29.901 4.539 -11.579 1.000 1 A 93.200 1
ATOM 895 C CD2 . HIS 117 117 ? A 29.584 5.157 -12.759 1.000 1 A 93.200 1
ATOM 896 N ND1 . HIS 117 117 ? A 31.255 4.293 -11.599 1.000 1 A 93.200 1
ATOM 897 C CE1 . HIS 117 117 ? A 31.744 4.758 -12.760 1.000 1 A 93.200 1
ATOM 898 N NE2 . HIS 117 117 ? A 30.763 5.298 -13.496 1.000 1 A 93.200 1
ATOM 899 N N . LEU 118 118 ? A 26.610 2.387 -9.089 1.000 1 A 89.390 1
ATOM 900 C CA . LEU 118 118 ? A 25.761 2.090 -7.935 1.000 1 A 89.390 1
ATOM 901 C C . LEU 118 118 ? A 24.358 1.673 -8.398 1.000 1 A 89.390 1
ATOM 902 C CB . LEU 118 118 ? A 25.709 3.340 -7.037 1.000 1 A 89.390 1
ATOM 903 O O . LEU 118 118 ? A 23.820 2.241 -9.346 1.000 1 A 89.390 1
ATOM 904 C CG . LEU 118 118 ? A 24.930 3.165 -5.721 1.000 1 A 89.390 1
ATOM 905 C CD1 . LEU 118 118 ? A 25.554 2.081 -4.838 1.000 1 A 89.390 1
ATOM 906 C CD2 . LEU 118 118 ? A 24.930 4.490 -4.965 1.000 1 A 89.390 1
ATOM 907 N N . ALA 119 119 ? A 23.754 0.692 -7.723 1.000 1 A 86.520 1
ATOM 908 C CA . ALA 119 119 ? A 22.444 0.140 -8.073 1.000 1 A 86.520 1
ATOM 909 C C . ALA 119 119 ? A 21.589 -0.132 -6.821 1.000 1 A 86.520 1
ATOM 910 C CB . ALA 119 119 ? A 22.656 -1.120 -8.926 1.000 1 A 86.520 1
ATOM 911 O O . ALA 119 119 ? A 21.417 -1.279 -6.404 1.000 1 A 86.520 1
ATOM 912 N N . GLU 120 120 ? A 21.046 0.928 -6.221 1.000 1 A 88.780 1
ATOM 913 C CA . GLU 120 120 ? A 20.246 0.850 -4.982 1.000 1 A 88.780 1
ATOM 914 C C . GLU 120 120 ? A 18.735 0.855 -5.219 1.000 1 A 88.780 1
ATOM 915 C CB . GLU 120 120 ? A 20.624 2.015 -4.067 1.000 1 A 88.780 1
ATOM 916 O O . GLU 120 120 ? A 17.965 0.490 -4.329 1.000 1 A 88.780 1
ATOM 917 C CG . GLU 120 120 ? A 22.045 1.828 -3.527 1.000 1 A 88.780 1
ATOM 918 C CD . GLU 120 120 ? A 22.490 2.984 -2.627 1.000 1 A 88.780 1
ATOM 919 O OE1 . GLU 120 120 ? A 23.432 2.742 -1.843 1.000 1 A 88.780 1
ATOM 920 O OE2 . GLU 120 120 ? A 21.913 4.085 -2.755 1.000 1 A 88.780 1
ATOM 921 N N . ARG 121 121 ? A 18.294 1.236 -6.426 1.000 1 A 88.470 1
ATOM 922 C CA . ARG 121 121 ? A 16.868 1.319 -6.751 1.000 1 A 88.470 1
ATOM 923 C C . ARG 121 121 ? A 16.182 -0.038 -6.516 1.000 1 A 88.470 1
ATOM 924 C CB . ARG 121 121 ? A 16.640 1.819 -8.186 1.000 1 A 88.470 1
ATOM 925 O O . ARG 121 121 ? A 16.658 -1.067 -7.020 1.000 1 A 88.470 1
ATOM 926 C CG . ARG 121 121 ? A 16.999 3.307 -8.347 1.000 1 A 88.470 1
ATOM 927 C CD . ARG 121 121 ? A 16.768 3.806 -9.782 1.000 1 A 88.470 1
ATOM 928 N NE . ARG 121 121 ? A 15.340 3.780 -10.171 1.000 1 A 88.470 1
ATOM 929 N NH1 . ARG 121 121 ? A 15.614 3.406 -12.430 1.000 1 A 88.470 1
ATOM 930 N NH2 . ARG 121 121 ? A 13.582 3.455 -11.601 1.000 1 A 88.470 1
ATOM 931 C CZ . ARG 121 121 ? A 14.861 3.556 -11.387 1.000 1 A 88.470 1
ATOM 932 N N . PRO 122 122 ? A 15.062 -0.068 -5.769 1.000 1 A 86.990 1
ATOM 933 C CA . PRO 122 122 ? A 14.349 -1.305 -5.498 1.000 1 A 86.990 1
ATOM 934 C C . PRO 122 122 ? A 13.727 -1.858 -6.782 1.000 1 A 86.990 1
ATOM 935 C CB . PRO 122 122 ? A 13.299 -0.951 -4.443 1.000 1 A 86.990 1
ATOM 936 O O . PRO 122 122 ? A 13.168 -1.122 -7.591 1.000 1 A 86.990 1
ATOM 937 C CG . PRO 122 122 ? A 13.026 0.531 -4.682 1.000 1 A 86.990 1
ATOM 938 C CD . PRO 122 122 ? A 14.387 1.057 -5.132 1.000 1 A 86.990 1
ATOM 939 N N . ARG 123 123 ? A 13.791 -3.181 -6.950 1.000 1 A 86.620 1
ATOM 940 C CA . ARG 123 123 ? A 13.285 -3.893 -8.131 1.000 1 A 86.620 1
ATOM 941 C C . ARG 123 123 ? A 12.619 -5.213 -7.751 1.000 1 A 86.620 1
ATOM 942 C CB . ARG 123 123 ? A 14.426 -4.063 -9.151 1.000 1 A 86.620 1
ATOM 943 O O . ARG 123 123 ? A 12.994 -5.821 -6.748 1.000 1 A 86.620 1
ATOM 944 C CG . ARG 123 123 ? A 15.588 -4.957 -8.676 1.000 1 A 86.620 1
ATOM 945 C CD . ARG 123 123 ? A 16.758 -4.900 -9.668 1.000 1 A 86.620 1
ATOM 946 N NE . ARG 123 123 ? A 17.824 -5.875 -9.342 1.000 1 A 86.620 1
ATOM 947 N NH1 . ARG 123 123 ? A 19.133 -4.505 -8.029 1.000 1 A 86.620 1
ATOM 948 N NH2 . ARG 123 123 ? A 19.816 -6.577 -8.484 1.000 1 A 86.620 1
ATOM 949 C CZ . ARG 123 123 ? A 18.912 -5.646 -8.621 1.000 1 A 86.620 1
ATOM 950 N N . GLY 124 124 ? A 11.699 -5.687 -8.587 1.000 1 A 88.630 1
ATOM 951 C CA . GLY 124 124 ? A 10.952 -6.925 -8.364 1.000 1 A 88.630 1
ATOM 952 C C . GLY 124 124 ? A 9.797 -6.774 -7.372 1.000 1 A 88.630 1
ATOM 953 O O . GLY 124 124 ? A 9.260 -5.681 -7.185 1.000 1 A 88.630 1
ATOM 954 N N . HIS 125 125 ? A 9.410 -7.896 -6.765 1.000 1 A 90.670 1
ATOM 955 C CA . HIS 125 125 ? A 8.226 -7.990 -5.915 1.000 1 A 90.670 1
ATOM 956 C C . HIS 125 125 ? A 8.313 -7.121 -4.657 1.000 1 A 90.670 1
ATOM 957 C CB . HIS 125 125 ? A 7.977 -9.458 -5.542 1.000 1 A 90.670 1
ATOM 958 O O . HIS 125 125 ? A 9.359 -7.052 -4.004 1.000 1 A 90.670 1
ATOM 959 C CG . HIS 125 125 ? A 6.718 -9.646 -4.735 1.000 1 A 90.670 1
ATOM 960 C CD2 . HIS 125 125 ? A 6.624 -10.120 -3.453 1.000 1 A 90.670 1
ATOM 961 N ND1 . HIS 125 125 ? A 5.448 -9.299 -5.132 1.000 1 A 90.670 1
ATOM 962 C CE1 . HIS 125 125 ? A 4.608 -9.571 -4.122 1.000 1 A 90.670 1
ATOM 963 N NE2 . HIS 125 125 ? A 5.281 -10.073 -3.076 1.000 1 A 90.670 1
ATOM 964 N N . PHE 126 126 ? A 7.184 -6.519 -4.293 1.000 1 A 92.860 1
ATOM 965 C CA . PHE 126 126 ? A 6.993 -5.834 -3.025 1.000 1 A 92.860 1
ATOM 966 C C . PHE 126 126 ? A 5.701 -6.248 -2.328 1.000 1 A 92.860 1
ATOM 967 C CB . PHE 126 126 ? A 7.040 -4.330 -3.219 1.000 1 A 92.860 1
ATOM 968 O O . PHE 126 126 ? A 4.706 -6.560 -2.982 1.000 1 A 92.860 1
ATOM 969 C CG . PHE 126 126 ? A 5.979 -3.714 -4.107 1.000 1 A 92.860 1
ATOM 970 C CD1 . PHE 126 126 ? A 6.201 -3.584 -5.490 1.000 1 A 92.860 1
ATOM 971 C CD2 . PHE 126 126 ? A 4.775 -3.250 -3.542 1.000 1 A 92.860 1
ATOM 972 C CE1 . PHE 126 126 ? A 5.233 -2.970 -6.303 1.000 1 A 92.860 1
ATOM 973 C CE2 . PHE 126 126 ? A 3.795 -2.665 -4.361 1.000 1 A 92.860 1
ATOM 974 C CZ . PHE 126 126 ? A 4.028 -2.521 -5.738 1.000 1 A 92.860 1
ATOM 975 N N . VAL 127 127 ? A 5.723 -6.206 -0.993 1.000 1 A 93.240 1
ATOM 976 C CA . VAL 127 127 ? A 4.550 -6.437 -0.147 1.000 1 A 93.240 1
ATOM 977 C C . VAL 127 127 ? A 4.686 -5.705 1.189 1.000 1 A 93.240 1
ATOM 978 C CB . VAL 127 127 ? A 4.271 -7.944 0.042 1.000 1 A 93.240 1
ATOM 979 O O . VAL 127 127 ? A 5.756 -5.698 1.801 1.000 1 A 93.240 1
ATOM 980 C CG1 . VAL 127 127 ? A 5.390 -8.702 0.766 1.000 1 A 93.240 1
ATOM 981 C CG2 . VAL 127 127 ? A 2.953 -8.186 0.790 1.000 1 A 93.240 1
ATOM 982 N N . ARG 128 128 ? A 3.590 -5.107 1.660 1.000 1 A 94.290 1
ATOM 983 C CA . ARG 128 128 ? A 3.419 -4.578 3.020 1.000 1 A 94.290 1
ATOM 984 C C . ARG 128 128 ? A 2.037 -4.976 3.536 1.000 1 A 94.290 1
ATOM 985 C CB . ARG 128 128 ? A 3.597 -3.049 3.027 1.000 1 A 94.290 1
ATOM 986 O O . ARG 128 128 ? A 1.072 -4.963 2.776 1.000 1 A 94.290 1
ATOM 987 C CG . ARG 128 128 ? A 5.028 -2.573 2.705 1.000 1 A 94.290 1
ATOM 988 C CD . ARG 128 128 ? A 6.059 -2.882 3.799 1.000 1 A 94.290 1
ATOM 989 N NE . ARG 128 128 ? A 5.775 -2.158 5.058 1.000 1 A 94.290 1
ATOM 990 N NH1 . ARG 128 128 ? A 7.333 -0.451 4.895 1.000 1 A 94.290 1
ATOM 991 N NH2 . ARG 128 128 ? A 5.999 -0.539 6.645 1.000 1 A 94.290 1
ATOM 992 C CZ . ARG 128 128 ? A 6.372 -1.066 5.514 1.000 1 A 94.290 1
ATOM 993 N N . ARG 129 129 ? A 1.954 -5.348 4.815 1.000 1 A 95.070 1
ATOM 994 C CA . ARG 129 129 ? A 0.709 -5.738 5.491 1.000 1 A 95.070 1
ATOM 995 C C . ARG 129 129 ? A 0.525 -4.900 6.751 1.000 1 A 95.070 1
ATOM 996 C CB . ARG 129 129 ? A 0.700 -7.240 5.822 1.000 1 A 95.070 1
ATOM 997 O O . ARG 129 129 ? A 1.478 -4.734 7.508 1.000 1 A 95.070 1
ATOM 998 C CG . ARG 129 129 ? A 0.635 -8.132 4.572 1.000 1 A 95.070 1
ATOM 999 C CD . ARG 129 129 ? A 0.575 -9.610 4.982 1.000 1 A 95.070 1
ATOM 1000 N NE . ARG 129 129 ? A 0.552 -10.522 3.818 1.000 1 A 95.070 1
ATOM 1001 N NH1 . ARG 129 129 ? A 2.828 -10.842 3.564 1.000 1 A 95.070 1
ATOM 1002 N NH2 . ARG 129 129 ? A 1.405 -12.004 2.313 1.000 1 A 95.070 1
ATOM 1003 C CZ . ARG 129 129 ? A 1.592 -11.105 3.238 1.000 1 A 95.070 1
ATOM 1004 N N . PHE 130 130 ? A -0.686 -4.404 6.968 1.000 1 A 96.540 1
ATOM 1005 C CA . PHE 130 130 ? A -1.053 -3.582 8.116 1.000 1 A 96.540 1
ATOM 1006 C C . PHE 130 130 ? A -2.353 -4.100 8.711 1.000 1 A 96.540 1
ATOM 1007 C CB . PHE 130 130 ? A -1.208 -2.116 7.694 1.000 1 A 96.540 1
ATOM 1008 O O . PHE 130 130 ? A -3.375 -4.163 8.030 1.000 1 A 96.540 1
ATOM 1009 C CG . PHE 130 130 ? A 0.036 -1.535 7.063 1.000 1 A 96.540 1
ATOM 1010 C CD1 . PHE 130 130 ? A 1.056 -1.010 7.876 1.000 1 A 96.540 1
ATOM 1011 C CD2 . PHE 130 130 ? A 0.174 -1.523 5.662 1.000 1 A 96.540 1
ATOM 1012 C CE1 . PHE 130 130 ? A 2.216 -0.475 7.292 1.000 1 A 96.540 1
ATOM 1013 C CE2 . PHE 130 130 ? A 1.336 -0.993 5.077 1.000 1 A 96.540 1
ATOM 1014 C CZ . PHE 130 130 ? A 2.360 -0.480 5.894 1.000 1 A 96.540 1
ATOM 1015 N N . LYS 131 131 ? A -2.328 -4.461 9.992 1.000 1 A 97.320 1
ATOM 1016 C CA . LYS 131 131 ? A -3.549 -4.814 10.710 1.000 1 A 97.320 1
ATOM 1017 C C . LYS 131 131 ? A -4.340 -3.539 10.996 1.000 1 A 97.320 1
ATOM 1018 C CB . LYS 131 131 ? A -3.183 -5.598 11.969 1.000 1 A 97.320 1
ATOM 1019 O O . LYS 131 131 ? A -3.869 -2.669 11.723 1.000 1 A 97.320 1
ATOM 1020 C CG . LYS 131 131 ? A -4.433 -6.203 12.618 1.000 1 A 97.320 1
ATOM 1021 C CD . LYS 131 131 ? A -4.000 -7.147 13.741 1.000 1 A 97.320 1
ATOM 1022 C CE . LYS 131 131 ? A -5.208 -7.876 14.326 1.000 1 A 97.320 1
ATOM 1023 N NZ . LYS 131 131 ? A -4.765 -8.943 15.256 1.000 1 A 97.320 1
ATOM 1024 N N . LEU 132 132 ? A -5.526 -3.432 10.414 1.000 1 A 98.000 1
ATOM 1025 C CA . LEU 132 132 ? A -6.408 -2.287 10.584 1.000 1 A 98.000 1
ATOM 1026 C C . LEU 132 132 ? A -7.101 -2.334 11.956 1.000 1 A 98.000 1
ATOM 1027 C CB . LEU 132 132 ? A -7.446 -2.227 9.451 1.000 1 A 98.000 1
ATOM 1028 O O . LEU 132 132 ? A -7.487 -3.413 12.427 1.000 1 A 98.000 1
ATOM 1029 C CG . LEU 132 132 ? A -6.865 -2.062 8.034 1.000 1 A 98.000 1
ATOM 1030 C CD1 . LEU 132 132 ? A -8.006 -2.177 7.021 1.000 1 A 98.000 1
ATOM 1031 C CD2 . LEU 132 132 ? A -6.168 -0.710 7.860 1.000 1 A 98.000 1
ATOM 1032 N N . PRO 133 133 ? A -7.314 -1.173 12.595 1.000 1 A 97.160 1
ATOM 1033 C CA . PRO 133 133 ? A -8.113 -1.079 13.811 1.000 1 A 97.160 1
ATOM 1034 C C . PRO 133 133 ? A -9.568 -1.521 13.618 1.000 1 A 97.160 1
ATOM 1035 C CB . PRO 133 133 ? A -8.004 0.382 14.247 1.000 1 A 97.160 1
ATOM 1036 O O . PRO 133 133 ? A -10.108 -1.551 12.513 1.000 1 A 97.160 1
ATOM 1037 C CG . PRO 133 133 ? A -6.623 0.762 13.731 1.000 1 A 97.160 1
ATOM 1038 C CD . PRO 133 133 ? A -6.629 0.093 12.362 1.000 1 A 97.160 1
ATOM 1039 N N . LYS 134 134 ? A -10.246 -1.851 14.724 1.000 1 A 95.380 1
ATOM 1040 C CA . LYS 134 134 ? A -11.635 -2.352 14.698 1.000 1 A 95.380 1
ATOM 1041 C C . LYS 134 134 ? A -12.645 -1.339 14.156 1.000 1 A 95.380 1
ATOM 1042 C CB . LYS 134 134 ? A -12.083 -2.767 16.104 1.000 1 A 95.380 1
ATOM 1043 O O . LYS 134 134 ? A -13.702 -1.748 13.690 1.000 1 A 95.380 1
ATOM 1044 C CG . LYS 134 134 ? A -11.367 -4.020 16.618 1.000 1 A 95.380 1
ATOM 1045 C CD . LYS 134 134 ? A -11.938 -4.406 17.989 1.000 1 A 95.380 1
ATOM 1046 C CE . LYS 134 134 ? A -11.238 -5.656 18.529 1.000 1 A 95.380 1
ATOM 1047 N NZ . LYS 134 134 ? A -11.742 -6.021 19.878 1.000 1 A 95.380 1
ATOM 1048 N N . ASN 135 135 ? A -12.340 -0.052 14.271 1.000 1 A 95.190 1
ATOM 1049 C CA . ASN 135 135 ? A -13.161 1.046 13.779 1.000 1 A 95.190 1
ATOM 1050 C C . ASN 135 135 ? A -12.825 1.437 12.332 1.000 1 A 95.190 1
ATOM 1051 C CB . ASN 135 135 ? A -13.065 2.247 14.744 1.000 1 A 95.190 1
ATOM 1052 O O . ASN 135 135 ? A -13.295 2.479 11.905 1.000 1 A 95.190 1
ATOM 1053 C CG . ASN 135 135 ? A -11.672 2.853 14.801 1.000 1 A 95.190 1
ATOM 1054 N ND2 . ASN 135 135 ? A -11.545 4.135 15.035 1.000 1 A 95.190 1
ATOM 1055 O OD1 . ASN 135 135 ? A -10.677 2.159 14.692 1.000 1 A 95.190 1
ATOM 1056 N N . ALA 136 136 ? A -12.034 0.662 11.585 1.000 1 A 97.360 1
ATOM 1057 C CA . ALA 136 136 ? A -11.833 0.885 10.155 1.000 1 A 97.360 1
ATOM 1058 C C . ALA 136 136 ? A -13.070 0.454 9.344 1.000 1 A 97.360 1
ATOM 1059 C CB . ALA 136 136 ? A -10.577 0.126 9.719 1.000 1 A 97.360 1
ATOM 1060 O O . ALA 136 136 ? A -13.565 -0.663 9.500 1.000 1 A 97.360 1
ATOM 1061 N N . ASP 137 137 ? A -13.543 1.331 8.462 1.000 1 A 96.780 1
ATOM 1062 C CA . ASP 137 137 ? A -14.619 1.078 7.504 1.000 1 A 96.780 1
ATOM 1063 C C . ASP 137 137 ? A -14.020 0.497 6.213 1.000 1 A 96.780 1
ATOM 1064 C CB . ASP 137 137 ? A -15.415 2.374 7.279 1.000 1 A 96.780 1
ATOM 1065 O O . ASP 137 137 ? A -13.617 1.214 5.293 1.000 1 A 96.780 1
ATOM 1066 C CG . ASP 137 137 ? A -16.715 2.154 6.501 1.000 1 A 96.780 1
ATOM 1067 O OD1 . ASP 137 137 ? A -16.837 1.111 5.824 1.000 1 A 96.780 1
ATOM 1068 O OD2 . ASP 137 137 ? A -17.592 3.047 6.595 1.000 1 A 96.780 1
ATOM 1069 N N . VAL 138 138 ? A -13.889 -0.832 6.192 1.000 1 A 95.480 1
ATOM 1070 C CA . VAL 138 138 ? A -13.232 -1.574 5.103 1.000 1 A 95.480 1
ATOM 1071 C C . VAL 138 138 ? A -14.001 -1.520 3.783 1.000 1 A 95.480 1
ATOM 1072 C CB . VAL 138 138 ? A -12.953 -3.038 5.495 1.000 1 A 95.480 1
ATOM 1073 O O . VAL 138 138 ? A -13.395 -1.664 2.724 1.000 1 A 95.480 1
ATOM 1074 C CG1 . VAL 138 138 ? A -11.982 -3.107 6.685 1.000 1 A 95.480 1
ATOM 1075 C CG2 . VAL 138 138 ? A -14.222 -3.823 5.853 1.000 1 A 95.480 1
ATOM 1076 N N . ASP 139 139 ? A -15.306 -1.250 3.832 1.000 1 A 95.560 1
ATOM 1077 C CA . ASP 139 139 ? A -16.175 -1.203 2.653 1.000 1 A 95.560 1
ATOM 1078 C C . ASP 139 139 ? A -16.039 0.123 1.885 1.000 1 A 95.560 1
ATOM 1079 C CB . ASP 139 139 ? A -17.631 -1.438 3.090 1.000 1 A 95.560 1
ATOM 1080 O O . ASP 139 139 ? A -16.518 0.256 0.758 1.000 1 A 95.560 1
ATOM 1081 C CG . ASP 139 139 ? A -17.863 -2.811 3.735 1.000 1 A 95.560 1
ATOM 1082 O OD1 . ASP 139 139 ? A -17.226 -3.791 3.290 1.000 1 A 95.560 1
ATOM 1083 O OD2 . ASP 139 139 ? A -18.696 -2.880 4.669 1.000 1 A 95.560 1
ATOM 1084 N N . ARG 140 140 ? A -15.378 1.122 2.486 1.000 1 A 96.680 1
ATOM 1085 C CA . ARG 140 140 ? A -15.211 2.475 1.929 1.000 1 A 96.680 1
ATOM 1086 C C . ARG 140 140 ? A -13.756 2.852 1.672 1.000 1 A 96.680 1
ATOM 1087 C CB . ARG 140 140 ? A -15.928 3.486 2.828 1.000 1 A 96.680 1
ATOM 1088 O O . ARG 140 140 ? A -13.433 4.039 1.589 1.000 1 A 96.680 1
ATOM 1089 C CG . ARG 140 140 ? A -17.442 3.247 2.842 1.000 1 A 96.680 1
ATOM 1090 C CD . ARG 140 140 ? A -18.132 4.297 3.707 1.000 1 A 96.680 1
ATOM 1091 N NE . ARG 140 140 ? A -18.018 5.662 3.158 1.000 1 A 96.680 1
ATOM 1092 N NH1 . ARG 140 140 ? A -18.584 6.712 5.108 1.000 1 A 96.680 1
ATOM 1093 N NH2 . ARG 140 140 ? A -18.004 7.934 3.323 1.000 1 A 96.680 1
ATOM 1094 C CZ . ARG 140 140 ? A -18.207 6.762 3.860 1.000 1 A 96.680 1
ATOM 1095 N N . ILE 141 141 ? A -12.879 1.861 1.551 1.000 1 A 97.750 1
ATOM 1096 C CA . ILE 141 141 ? A -11.474 2.092 1.218 1.000 1 A 97.750 1
ATOM 1097 C C . ILE 141 141 ? A -11.366 2.703 -0.180 1.000 1 A 97.750 1
ATOM 1098 C CB . ILE 141 141 ? A -10.643 0.801 1.363 1.000 1 A 97.750 1
ATOM 1099 O O . ILE 141 141 ? A -12.003 2.249 -1.128 1.000 1 A 97.750 1
ATOM 1100 C CG1 . ILE 141 141 ? A -10.666 0.391 2.850 1.000 1 A 97.750 1
ATOM 1101 C CG2 . ILE 141 141 ? A -9.193 1.004 0.871 1.000 1 A 97.750 1
ATOM 1102 C CD1 . ILE 141 141 ? A -9.946 -0.920 3.157 1.000 1 A 97.750 1
ATOM 1103 N N . ALA 142 142 ? A -10.518 3.719 -0.309 1.000 1 A 98.150 1
ATOM 1104 C CA . ALA 142 142 ? A -10.168 4.331 -1.582 1.000 1 A 98.150 1
ATOM 1105 C C . ALA 142 142 ? A -8.649 4.324 -1.771 1.000 1 A 98.150 1
ATOM 1106 C CB . ALA 142 142 ? A -10.760 5.743 -1.639 1.000 1 A 98.150 1
ATOM 1107 O O . ALA 142 142 ? A -7.894 4.440 -0.805 1.000 1 A 98.150 1
ATOM 1108 N N . ALA 143 143 ? A -8.195 4.217 -3.018 1.000 1 A 98.440 1
ATOM 1109 C CA . ALA 143 143 ? A -6.779 4.245 -3.359 1.000 1 A 98.440 1
ATOM 1110 C C . ALA 143 143 ? A -6.537 5.101 -4.605 1.000 1 A 98.440 1
ATOM 1111 C CB . ALA 143 143 ? A -6.273 2.809 -3.531 1.000 1 A 98.440 1
ATOM 1112 O O . ALA 143 143 ? A -7.302 5.041 -5.567 1.000 1 A 98.440 1
ATOM 1113 N N . VAL 144 144 ? A -5.466 5.891 -4.590 1.000 1 A 97.840 1
ATOM 1114 C CA . VAL 144 144 ? A -5.048 6.738 -5.713 1.000 1 A 97.840 1
ATOM 1115 C C . VAL 144 144 ? A -3.528 6.768 -5.804 1.000 1 A 97.840 1
ATOM 1116 C CB . VAL 144 144 ? A -5.654 8.153 -5.591 1.000 1 A 97.840 1
ATOM 1117 O O . VAL 144 144 ? A -2.850 6.759 -4.780 1.000 1 A 97.840 1
ATOM 1118 C CG1 . VAL 144 144 ? A -5.182 8.924 -4.350 1.000 1 A 97.840 1
ATOM 1119 C CG2 . VAL 144 144 ? A -5.379 9.000 -6.838 1.000 1 A 97.840 1
ATOM 1120 N N . VAL 145 145 ? A -2.986 6.804 -7.020 1.000 1 A 97.190 1
ATOM 1121 C CA . VAL 145 145 ? A -1.554 7.017 -7.258 1.000 1 A 97.190 1
ATOM 1122 C C . VAL 145 145 ? A -1.374 8.382 -7.903 1.000 1 A 97.190 1
ATOM 1123 C CB . VAL 145 145 ? A -0.931 5.907 -8.125 1.000 1 A 97.190 1
ATOM 1124 O O . VAL 145 145 ? A -1.927 8.630 -8.972 1.000 1 A 97.190 1
ATOM 1125 C CG1 . VAL 145 145 ? A 0.575 6.134 -8.320 1.000 1 A 97.190 1
ATOM 1126 C CG2 . VAL 145 145 ? A -1.111 4.528 -7.483 1.000 1 A 97.190 1
ATOM 1127 N N . THR 146 146 ? A -0.571 9.235 -7.272 1.000 1 A 96.880 1
ATOM 1128 C CA . THR 146 146 ? A -0.192 10.553 -7.796 1.000 1 A 96.880 1
ATOM 1129 C C . THR 146 146 ? A 1.312 10.715 -7.639 1.000 1 A 96.880 1
ATOM 1130 C CB . THR 146 146 ? A -0.933 11.684 -7.067 1.000 1 A 96.880 1
ATOM 1131 O O . THR 146 146 ? A 1.847 10.412 -6.577 1.000 1 A 96.880 1
ATOM 1132 C CG2 . THR 146 146 ? A -0.641 13.057 -7.667 1.000 1 A 96.880 1
ATOM 1133 O OG1 . THR 146 146 ? A -2.328 11.507 -7.163 1.000 1 A 96.880 1
ATOM 1134 N N . ASP 147 147 ? A 1.999 11.144 -8.700 1.000 1 A 96.610 1
ATOM 1135 C CA . ASP 147 147 ? A 3.442 11.439 -8.695 1.000 1 A 96.610 1
ATOM 1136 C C . ASP 147 147 ? A 4.323 10.322 -8.101 1.000 1 A 96.610 1
ATOM 1137 C CB . ASP 147 147 ? A 3.688 12.832 -8.094 1.000 1 A 96.610 1
ATOM 1138 O O . ASP 147 147 ? A 5.319 10.564 -7.424 1.000 1 A 96.610 1
ATOM 1139 C CG . ASP 147 147 ? A 2.900 13.916 -8.837 1.000 1 A 96.610 1
ATOM 1140 O OD1 . ASP 147 147 ? A 2.783 13.797 -10.079 1.000 1 A 96.610 1
ATOM 1141 O OD2 . ASP 147 147 ? A 2.380 14.827 -8.156 1.000 1 A 96.610 1
ATOM 1142 N N . GLY 148 148 ? A 3.952 9.063 -8.357 1.000 1 A 95.720 1
ATOM 1143 C CA . GLY 148 148 ? A 4.683 7.890 -7.870 1.000 1 A 95.720 1
ATOM 1144 C C . GLY 148 148 ? A 4.403 7.509 -6.413 1.000 1 A 95.720 1
ATOM 1145 O O . GLY 148 148 ? A 5.059 6.603 -5.905 1.000 1 A 95.720 1
ATOM 1146 N N . VAL 149 149 ? A 3.432 8.139 -5.748 1.000 1 A 98.000 1
ATOM 1147 C CA . VAL 149 149 ? A 3.007 7.791 -4.386 1.000 1 A 98.000 1
ATOM 1148 C C . VAL 149 149 ? A 1.600 7.203 -4.417 1.000 1 A 98.000 1
ATOM 1149 C CB . VAL 149 149 ? A 3.090 9.002 -3.437 1.000 1 A 98.000 1
ATOM 1150 O O . VAL 149 149 ? A 0.640 7.870 -4.807 1.000 1 A 98.000 1
ATOM 1151 C CG1 . VAL 149 149 ? A 2.729 8.602 -1.998 1.000 1 A 98.000 1
ATOM 1152 C CG2 . VAL 149 149 ? A 4.504 9.596 -3.419 1.000 1 A 98.000 1
ATOM 1153 N N . LEU 150 150 ? A 1.461 5.955 -3.970 1.000 1 A 98.530 1
ATOM 1154 C CA . LEU 150 150 ? A 0.158 5.352 -3.697 1.000 1 A 98.530 1
ATOM 1155 C C . LEU 150 150 ? A -0.355 5.866 -2.354 1.000 1 A 98.530 1
ATOM 1156 C CB . LEU 150 150 ? A 0.281 3.821 -3.713 1.000 1 A 98.530 1
ATOM 1157 O O . LEU 150 150 ? A 0.288 5.672 -1.328 1.000 1 A 98.530 1
ATOM 1158 C CG . LEU 150 150 ? A -0.964 3.061 -3.213 1.000 1 A 98.530 1
ATOM 1159 C CD1 . LEU 150 150 ? A -2.105 3.116 -4.225 1.000 1 A 98.530 1
ATOM 1160 C CD2 . LEU 150 150 ? A -0.600 1.603 -2.943 1.000 1 A 98.530 1
ATOM 1161 N N . THR 151 151 ? A -1.541 6.460 -2.352 1.000 1 A 98.720 1
ATOM 1162 C CA . THR 151 151 ? A -2.273 6.833 -1.143 1.000 1 A 98.720 1
ATOM 1163 C C . THR 151 151 ? A -3.487 5.927 -0.993 1.000 1 A 98.720 1
ATOM 1164 C CB . THR 151 151 ? A -2.681 8.309 -1.181 1.000 1 A 98.720 1
ATOM 1165 O O . THR 151 151 ? A -4.389 5.968 -1.828 1.000 1 A 98.720 1
ATOM 1166 C CG2 . THR 151 151 ? A -3.340 8.752 0.124 1.000 1 A 98.720 1
ATOM 1167 O OG1 . THR 151 151 ? A -1.533 9.112 -1.342 1.000 1 A 98.720 1
ATOM 1168 N N . VAL 152 152 ? A -3.522 5.124 0.072 1.000 1 A 98.780 1
ATOM 1169 C CA . VAL 152 152 ? A -4.685 4.318 0.471 1.000 1 A 98.780 1
ATOM 1170 C C . VAL 152 152 ? A -5.348 4.980 1.672 1.000 1 A 98.780 1
ATOM 1171 C CB . VAL 152 152 ? A -4.313 2.856 0.789 1.000 1 A 98.780 1
ATOM 1172 O O . VAL 152 152 ? A -4.703 5.203 2.695 1.000 1 A 98.780 1
ATOM 1173 C CG1 . VAL 152 152 ? A -5.568 2.024 1.077 1.000 1 A 98.780 1
ATOM 1174 C CG2 . VAL 152 152 ? A -3.550 2.193 -0.365 1.000 1 A 98.780 1
ATOM 1175 N N . ILE 153 153 ? A -6.635 5.290 1.557 1.000 1 A 98.670 1
ATOM 1176 C CA . ILE 153 153 ? A -7.442 5.910 2.606 1.000 1 A 98.670 1
ATOM 1177 C C . ILE 153 153 ? A -8.444 4.877 3.101 1.000 1 A 98.670 1
ATOM 1178 C CB . ILE 153 153 ? A -8.142 7.193 2.103 1.000 1 A 98.670 1
ATOM 1179 O O . ILE 153 153 ? A -9.260 4.373 2.332 1.000 1 A 98.670 1
ATOM 1180 C CG1 . ILE 153 153 ? A -7.107 8.190 1.532 1.000 1 A 98.670 1
ATOM 1181 C CG2 . ILE 153 153 ? A -8.950 7.831 3.253 1.000 1 A 98.670 1
ATOM 1182 C CD1 . ILE 153 153 ? A -7.716 9.451 0.910 1.000 1 A 98.670 1
ATOM 1183 N N . VAL 154 154 ? A -8.385 4.591 4.395 1.000 1 A 98.510 1
ATOM 1184 C CA . VAL 154 154 ? A -9.299 3.704 5.108 1.000 1 A 98.510 1
ATOM 1185 C C . VAL 154 154 ? A -10.087 4.559 6.100 1.000 1 A 98.510 1
ATOM 1186 C CB . VAL 154 154 ? A -8.528 2.574 5.813 1.000 1 A 98.510 1
ATOM 1187 O O . VAL 154 154 ? A -9.548 4.910 7.156 1.000 1 A 98.510 1
ATOM 1188 C CG1 . VAL 154 154 ? A -9.511 1.592 6.455 1.000 1 A 98.510 1
ATOM 1189 C CG2 . VAL 154 154 ? A -7.584 1.815 4.867 1.000 1 A 98.510 1
ATOM 1190 N N . PRO 155 155 ? A -11.330 4.954 5.776 1.000 1 A 98.400 1
ATOM 1191 C CA . PRO 155 155 ? A -12.154 5.744 6.681 1.000 1 A 98.400 1
ATOM 1192 C C . PRO 155 155 ? A -12.382 5.025 8.009 1.000 1 A 98.400 1
ATOM 1193 C CB . PRO 155 155 ? A -13.471 6.006 5.943 1.000 1 A 98.400 1
ATOM 1194 O O . PRO 155 155 ? A -12.315 3.798 8.094 1.000 1 A 98.400 1
ATOM 1195 C CG . PRO 155 155 ? A -13.093 5.832 4.473 1.000 1 A 98.400 1
ATOM 1196 C CD . PRO 155 155 ? A -12.036 4.734 4.523 1.000 1 A 98.400 1
ATOM 1197 N N . LYS 156 156 ? A -12.673 5.786 9.056 1.000 1 A 97.640 1
ATOM 1198 C CA . LYS 156 156 ? A -13.199 5.247 10.303 1.000 1 A 97.640 1
ATOM 1199 C C . LYS 156 156 ? A -14.714 5.114 10.195 1.000 1 A 97.640 1
ATOM 1200 C CB . LYS 156 156 ? A -12.767 6.117 11.484 1.000 1 A 97.640 1
ATOM 1201 O O . LYS 156 156 ? A -15.382 5.884 9.508 1.000 1 A 97.640 1
ATOM 1202 C CG . LYS 156 156 ? A -11.266 5.951 11.769 1.000 1 A 97.640 1
ATOM 1203 C CD . LYS 156 156 ? A -10.822 7.048 12.728 1.000 1 A 97.640 1
ATOM 1204 C CE . LYS 156 156 ? A -9.379 6.866 13.181 1.000 1 A 97.640 1
ATOM 1205 N NZ . LYS 156 156 ? A -8.991 7.960 14.093 1.000 1 A 97.640 1
ATOM 1206 N N . ILE 157 157 ? A -15.257 4.126 10.892 1.000 1 A 94.350 1
ATOM 1207 C CA . ILE 157 157 ? A -16.692 3.940 11.049 1.000 1 A 94.350 1
ATOM 1208 C C . ILE 157 157 ? A -17.201 5.121 11.869 1.000 1 A 94.350 1
ATOM 1209 C CB . ILE 157 157 ? A -17.008 2.584 11.720 1.000 1 A 94.350 1
ATOM 1210 O O . ILE 157 157 ? A -16.933 5.211 13.069 1.000 1 A 94.350 1
ATOM 1211 C CG1 . ILE 157 157 ? A -16.473 1.407 10.872 1.000 1 A 94.350 1
ATOM 1212 C CG2 . ILE 157 157 ? A -18.528 2.439 11.932 1.000 1 A 94.350 1
ATOM 1213 C CD1 . ILE 157 157 ? A -16.532 0.048 11.581 1.000 1 A 94.350 1
ATOM 1214 N N . GLU 158 158 ? A -17.949 6.008 11.218 1.000 1 A 82.100 1
ATOM 1215 C CA . GLU 158 158 ? A -18.679 7.064 11.908 1.000 1 A 82.100 1
ATOM 1216 C C . GLU 158 158 ? A -19.621 6.398 12.925 1.000 1 A 82.100 1
ATOM 1217 C CB . GLU 158 158 ? A -19.454 7.915 10.885 1.000 1 A 82.100 1
ATOM 1218 O O . GLU 158 158 ? A -20.395 5.503 12.543 1.000 1 A 82.100 1
ATOM 1219 C CG . GLU 158 158 ? A -20.193 9.128 11.478 1.000 1 A 82.100 1
ATOM 1220 C CD . GLU 158 158 ? A -19.284 10.156 12.164 1.000 1 A 82.100 1
ATOM 1221 O OE1 . GLU 158 158 ? A -19.835 10.955 12.957 1.000 1 A 82.100 1
ATOM 1222 O OE2 . GLU 158 158 ? A -18.071 10.122 11.895 1.000 1 A 82.100 1
ATOM 1223 N N . PRO 159 159 ? A -19.594 6.776 14.219 1.000 1 A 71.190 1
ATOM 1224 C CA . PRO 159 159 ? A -20.609 6.304 15.145 1.000 1 A 71.190 1
ATOM 1225 C C . PRO 159 159 ? A -21.960 6.662 14.538 1.000 1 A 71.190 1
ATOM 1226 C CB . PRO 159 159 ? A -20.340 7.022 16.472 1.000 1 A 71.190 1
ATOM 1227 O O . PRO 159 159 ? A -22.192 7.827 14.220 1.000 1 A 71.190 1
ATOM 1228 C CG . PRO 159 159 ? A -19.552 8.268 16.065 1.000 1 A 71.190 1
ATOM 1229 C CD . PRO 159 159 ? A -18.774 7.808 14.836 1.000 1 A 71.190 1
ATOM 1230 N N . ARG 160 160 ? A -22.840 5.663 14.333 1.000 1 A 63.770 1
ATOM 1231 C CA . ARG 160 160 ? A -24.189 5.895 13.794 1.000 1 A 63.770 1
ATOM 1232 C C . ARG 160 160 ? A -24.743 7.115 14.508 1.000 1 A 63.770 1
ATOM 1233 C CB . ARG 160 160 ? A -25.135 4.709 14.051 1.000 1 A 63.770 1
ATOM 1234 O O . ARG 160 160 ? A -24.975 7.033 15.716 1.000 1 A 63.770 1
ATOM 1235 C CG . ARG 160 160 ? A -24.836 3.478 13.191 1.000 1 A 63.770 1
ATOM 1236 C CD . ARG 160 160 ? A -25.921 2.417 13.427 1.000 1 A 63.770 1
ATOM 1237 N NE . ARG 160 160 ? A -25.666 1.201 12.634 1.000 1 A 63.770 1
ATOM 1238 N NH1 . ARG 160 160 ? A -27.771 0.277 12.751 1.000 1 A 63.770 1
ATOM 1239 N NH2 . ARG 160 160 ? A -26.160 -0.778 11.625 1.000 1 A 63.770 1
ATOM 1240 C CZ . ARG 160 160 ? A -26.531 0.244 12.343 1.000 1 A 63.770 1
ATOM 1241 N N . ARG 161 161 ? A -24.908 8.235 13.786 1.000 1 A 63.620 1
ATOM 1242 C CA . ARG 161 161 ? A -25.513 9.438 14.358 1.000 1 A 63.620 1
ATOM 1243 C C . ARG 161 161 ? A -26.773 8.958 15.045 1.000 1 A 63.620 1
ATOM 1244 C CB . ARG 161 161 ? A -25.842 10.489 13.289 1.000 1 A 63.620 1
ATOM 1245 O O . ARG 161 161 ? A -27.616 8.338 14.389 1.000 1 A 63.620 1
ATOM 1246 C CG . ARG 161 161 ? A -24.599 11.270 12.847 1.000 1 A 63.620 1
ATOM 1247 C CD . ARG 161 161 ? A -25.011 12.396 11.892 1.000 1 A 63.620 1
ATOM 1248 N NE . ARG 161 161 ? A -23.863 13.249 11.545 1.000 1 A 63.620 1
ATOM 1249 N NH1 . ARG 161 161 ? A -25.014 14.850 10.360 1.000 1 A 63.620 1
ATOM 1250 N NH2 . ARG 161 161 ? A -22.804 15.041 10.639 1.000 1 A 63.620 1
ATOM 1251 C CZ . ARG 161 161 ? A -23.901 14.373 10.851 1.000 1 A 63.620 1
ATOM 1252 N N . ARG 162 162 ? A -26.835 9.131 16.370 1.000 1 A 64.270 1
ATOM 1253 C CA . ARG 162 162 ? A -28.012 8.778 17.159 1.000 1 A 64.270 1
ATOM 1254 C C . ARG 162 162 ? A -29.185 9.358 16.388 1.000 1 A 64.270 1
ATOM 1255 C CB . ARG 162 162 ? A -27.872 9.391 18.561 1.000 1 A 64.270 1
ATOM 1256 O O . ARG 162 162 ? A -29.220 10.571 16.203 1.000 1 A 64.270 1
ATOM 1257 C CG . ARG 162 162 ? A -29.055 9.056 19.478 1.000 1 A 64.270 1
ATOM 1258 C CD . ARG 162 162 ? A -28.856 9.745 20.831 1.000 1 A 64.270 1
ATOM 1259 N NE . ARG 162 162 ? A -29.936 9.409 21.778 1.000 1 A 64.270 1
ATOM 1260 N NH1 . ARG 162 162 ? A -29.839 11.327 23.045 1.000 1 A 64.270 1
ATOM 1261 N NH2 . ARG 162 162 ? A -31.272 9.709 23.597 1.000 1 A 64.270 1
ATOM 1262 C CZ . ARG 162 162 ? A -30.342 10.149 22.796 1.000 1 A 64.270 1
ATOM 1263 N N . GLN 163 163 ? A -30.061 8.503 15.851 1.000 1 A 71.900 1
ATOM 1264 C CA . GLN 163 163 ? A -31.220 9.024 15.144 1.000 1 A 71.900 1
ATOM 1265 C C . GLN 163 163 ? A -31.936 9.913 16.146 1.000 1 A 71.900 1
ATOM 1266 C CB . GLN 163 163 ? A -32.151 7.926 14.609 1.000 1 A 71.900 1
ATOM 1267 O O . GLN 163 163 ? A -32.257 9.465 17.253 1.000 1 A 71.900 1
ATOM 1268 C CG . GLN 163 163 ? A -31.540 7.162 13.424 1.000 1 A 71.900 1
ATOM 1269 C CD . GLN 163 163 ? A -32.573 6.393 12.595 1.000 1 A 71.900 1
ATOM 1270 N NE2 . GLN 163 163 ? A -32.140 5.656 11.596 1.000 1 A 71.900 1
ATOM 1271 O OE1 . GLN 163 163 ? A -33.781 6.473 12.773 1.000 1 A 71.900 1
ATOM 1272 N N . GLU 164 164 ? A -32.095 11.187 15.800 1.000 1 A 79.940 1
ATOM 1273 C CA . GLU 164 164 ? A -32.886 12.064 16.639 1.000 1 A 79.940 1
ATOM 1274 C C . GLU 164 164 ? A -34.269 11.441 16.780 1.000 1 A 79.940 1
ATOM 1275 C CB . GLU 164 164 ? A -32.959 13.486 16.087 1.000 1 A 79.940 1
ATOM 1276 O O . GLU 164 164 ? A -34.801 10.841 15.834 1.000 1 A 79.940 1
ATOM 1277 C CG . GLU 164 164 ? A -31.579 14.160 16.110 1.000 1 A 79.940 1
ATOM 1278 C CD . GLU 164 164 ? A -31.665 15.690 16.031 1.000 1 A 79.940 1
ATOM 1279 O OE1 . GLU 164 164 ? A -30.636 16.321 16.354 1.000 1 A 79.940 1
ATOM 1280 O OE2 . GLU 164 164 ? A -32.752 16.204 15.688 1.000 1 A 79.940 1
ATOM 1281 N N . ARG 165 165 ? A -34.830 11.517 17.991 1.000 1 A 84.890 1
ATOM 1282 C CA . ARG 165 165 ? A -36.176 11.001 18.218 1.000 1 A 84.890 1
ATOM 1283 C C . ARG 165 165 ? A -37.099 11.673 17.197 1.000 1 A 84.890 1
ATOM 1284 C CB . ARG 165 165 ? A -36.629 11.193 19.679 1.000 1 A 84.890 1
ATOM 1285 O O . ARG 165 165 ? A -37.085 12.895 17.059 1.000 1 A 84.890 1
ATOM 1286 C CG . ARG 165 165 ? A -37.232 12.580 19.952 1.000 1 A 84.890 1
ATOM 1287 C CD . ARG 165 165 ? A -37.649 12.785 21.404 1.000 1 A 84.890 1
ATOM 1288 N NE . ARG 165 165 ? A -38.397 14.050 21.525 1.000 1 A 84.890 1
ATOM 1289 N NH1 . ARG 165 165 ? A -37.709 14.671 23.626 1.000 1 A 84.890 1
ATOM 1290 N NH2 . ARG 165 165 ? A -39.103 15.986 22.483 1.000 1 A 84.890 1
ATOM 1291 C CZ . ARG 165 165 ? A -38.398 14.892 22.541 1.000 1 A 84.890 1
ATOM 1292 N N . ARG 166 166 ? A -37.916 10.884 16.510 1.000 1 A 84.940 1
ATOM 1293 C CA . ARG 166 166 ? A -38.978 11.406 15.652 1.000 1 A 84.940 1
ATOM 1294 C C . ARG 166 166 ? A -40.290 11.298 16.406 1.000 1 A 84.940 1
ATOM 1295 C CB . ARG 166 166 ? A -38.978 10.689 14.295 1.000 1 A 84.940 1
ATOM 1296 O O . ARG 166 166 ? A -40.602 10.241 16.947 1.000 1 A 84.940 1
ATOM 1297 C CG . ARG 166 166 ? A -37.756 11.132 13.474 1.000 1 A 84.940 1
ATOM 1298 C CD . ARG 166 166 ? A -37.741 10.538 12.061 1.000 1 A 84.940 1
ATOM 1299 N NE . ARG 166 166 ? A -36.828 9.381 11.944 1.000 1 A 84.940 1
ATOM 1300 N NH1 . ARG 166 166 ? A -36.376 9.616 9.705 1.000 1 A 84.940 1
ATOM 1301 N NH2 . ARG 166 166 ? A -35.360 8.003 10.859 1.000 1 A 84.940 1
ATOM 1302 C CZ . ARG 166 166 ? A -36.197 9.004 10.845 1.000 1 A 84.940 1
ATOM 1303 N N . HIS 167 167 ? A -41.025 12.401 16.477 1.000 1 A 89.730 1
ATOM 1304 C CA . HIS 167 167 ? A -42.414 12.357 16.906 1.000 1 A 89.730 1
ATOM 1305 C C . HIS 167 167 ? A -43.238 11.761 15.763 1.000 1 A 89.730 1
ATOM 1306 C CB . HIS 167 167 ? A -42.881 13.763 17.295 1.000 1 A 89.730 1
ATOM 1307 O O . HIS 167 167 ? A -43.149 12.237 14.632 1.000 1 A 89.730 1
ATOM 1308 C CG . HIS 167 167 ? A -44.330 13.802 17.705 1.000 1 A 89.730 1
ATOM 1309 C CD2 . HIS 167 167 ? A -45.373 14.261 16.945 1.000 1 A 89.730 1
ATOM 1310 N ND1 . HIS 167 167 ? A -44.862 13.345 18.892 1.000 1 A 89.730 1
ATOM 1311 C CE1 . HIS 167 167 ? A -46.193 13.529 18.846 1.000 1 A 89.730 1
ATOM 1312 N NE2 . HIS 167 167 ? A -46.543 14.092 17.684 1.000 1 A 89.730 1
ATOM 1313 N N . ILE 168 168 ? A -43.991 10.707 16.058 1.000 1 A 90.530 1
ATOM 1314 C CA . ILE 168 168 ? A -44.980 10.137 15.148 1.000 1 A 90.530 1
ATOM 1315 C C . ILE 168 168 ? A -46.337 10.559 15.694 1.000 1 A 90.530 1
ATOM 1316 C CB . ILE 168 168 ? A -44.833 8.602 15.032 1.000 1 A 90.530 1
ATOM 1317 O O . ILE 168 168 ? A -46.656 10.262 16.845 1.000 1 A 90.530 1
ATOM 1318 C CG1 . ILE 168 168 ? A -43.416 8.233 14.529 1.000 1 A 90.530 1
ATOM 1319 C CG2 . ILE 168 168 ? A -45.914 8.039 14.090 1.000 1 A 90.530 1
ATOM 1320 C CD1 . ILE 168 168 ? A -43.151 6.725 14.425 1.000 1 A 90.530 1
ATOM 1321 N N . GLU 169 169 ? A -47.110 11.262 14.875 1.000 1 A 89.780 1
ATOM 1322 C CA . GLU 169 169 ? A -48.511 11.534 15.173 1.000 1 A 89.780 1
ATOM 1323 C C . GLU 169 169 ? A -49.286 10.215 15.039 1.000 1 A 89.780 1
ATOM 1324 C CB . GLU 169 169 ? A -49.030 12.616 14.213 1.000 1 A 89.780 1
ATOM 1325 O O . GLU 169 169 ? A -49.279 9.587 13.978 1.000 1 A 89.780 1
ATOM 1326 C CG . GLU 169 169 ? A -50.387 13.201 14.635 1.000 1 A 89.780 1
ATOM 1327 C CD . GLU 169 169 ? A -51.051 14.013 13.505 1.000 1 A 89.780 1
ATOM 1328 O OE1 . GLU 169 169 ? A -52.296 14.097 13.479 1.000 1 A 89.780 1
ATOM 1329 O OE2 . GLU 169 169 ? A -50.371 14.450 12.547 1.000 1 A 89.780 1
ATOM 1330 N N . VAL 170 170 ? A -49.924 9.774 16.122 1.000 1 A 89.940 1
ATOM 1331 C CA . VAL 170 170 ? A -50.854 8.640 16.091 1.000 1 A 89.940 1
ATOM 1332 C C . VAL 170 170 ? A -52.233 9.192 15.762 1.000 1 A 89.940 1
ATOM 1333 C CB . VAL 170 170 ? A -50.858 7.862 17.421 1.000 1 A 89.940 1
ATOM 1334 O O . VAL 170 170 ? A -52.706 10.099 16.442 1.000 1 A 89.940 1
ATOM 1335 C CG1 . VAL 170 170 ? A -51.849 6.691 17.386 1.000 1 A 89.940 1
ATOM 1336 C CG2 . VAL 170 170 ? A -49.465 7.289 17.718 1.000 1 A 89.940 1
ATOM 1337 N N . ARG 171 171 ? A -52.871 8.644 14.726 1.000 1 A 89.860 1
ATOM 1338 C CA . ARG 171 171 ? A -54.258 8.957 14.374 1.000 1 A 89.860 1
ATOM 1339 C C . ARG 171 171 ? A -55.137 7.756 14.665 1.000 1 A 89.860 1
ATOM 1340 C CB . ARG 171 171 ? A -54.373 9.407 12.912 1.000 1 A 89.860 1
ATOM 1341 O O . ARG 171 171 ? A -54.761 6.631 14.340 1.000 1 A 89.860 1
ATOM 1342 C CG . ARG 171 171 ? A -53.638 10.734 12.704 1.000 1 A 89.860 1
ATOM 1343 C CD . ARG 171 171 ? A -53.872 11.281 11.300 1.000 1 A 89.860 1
ATOM 1344 N NE . ARG 171 171 ? A -53.123 12.534 11.133 1.000 1 A 89.860 1
ATOM 1345 N NH1 . ARG 171 171 ? A -52.806 12.446 8.863 1.000 1 A 89.860 1
ATOM 1346 N NH2 . ARG 171 171 ? A -51.804 14.034 10.102 1.000 1 A 89.860 1
ATOM 1347 C CZ . ARG 171 171 ? A -52.588 13.000 10.028 1.000 1 A 89.860 1
ATOM 1348 N N . GLU 172 172 ? A -56.290 8.013 15.268 1.000 1 A 84.650 1
ATOM 1349 C CA . GLU 172 172 ? A -57.315 6.994 15.458 1.000 1 A 84.650 1
ATOM 1350 C C . GLU 172 172 ? A -57.966 6.669 14.112 1.000 1 A 84.650 1
ATOM 1351 C CB . GLU 172 172 ? A -58.339 7.423 16.520 1.000 1 A 84.650 1
ATOM 1352 O O . GLU 172 172 ? A -58.287 7.559 13.319 1.000 1 A 84.650 1
ATOM 1353 C CG . GLU 172 172 ? A -57.662 7.557 17.896 1.000 1 A 84.650 1
ATOM 1354 C CD . GLU 172 172 ? A -58.642 7.689 19.072 1.000 1 A 84.650 1
ATOM 1355 O OE1 . GLU 172 172 ? A -58.159 7.537 20.219 1.000 1 A 84.650 1
ATOM 1356 O OE2 . GLU 172 172 ? A -59.833 7.974 18.830 1.000 1 A 84.650 1
ATOM 1357 N N . HIS 173 173 ? A -58.111 5.374 13.835 1.000 1 A 79.110 1
ATOM 1358 C CA . HIS 173 173 ? A -58.903 4.901 12.711 1.000 1 A 79.110 1
ATOM 1359 C C . HIS 173 173 ? A -60.373 5.055 13.102 1.000 1 A 79.110 1
ATOM 1360 C CB . HIS 173 173 ? A -58.520 3.447 12.404 1.000 1 A 79.110 1
ATOM 1361 O O . HIS 173 173 ? A -60.812 4.400 14.041 1.000 1 A 79.110 1
ATOM 1362 C CG . HIS 173 173 ? A -59.246 2.876 11.214 1.000 1 A 79.110 1
ATOM 1363 C CD2 . HIS 173 173 ? A -58.725 2.658 9.967 1.000 1 A 79.110 1
ATOM 1364 N ND1 . HIS 173 173 ? A -60.567 2.495 11.168 1.000 1 A 79.110 1
ATOM 1365 C CE1 . HIS 173 173 ? A -60.835 2.069 9.925 1.000 1 A 79.110 1
ATOM 1366 N NE2 . HIS 173 173 ? A -59.735 2.140 9.153 1.000 1 A 79.110 1
ATOM 1367 N N . GLY 174 174 ? A -61.099 5.939 12.414 1.000 1 A 77.700 1
ATOM 1368 C CA . GLY 174 174 ? A -62.533 6.124 12.635 1.000 1 A 77.700 1
ATOM 1369 C C . GLY 174 174 ? A -63.313 4.834 12.377 1.000 1 A 77.700 1
ATOM 1370 O O . GLY 174 174 ? A -62.981 4.099 11.443 1.000 1 A 77.700 1
ATOM 1371 N N . ASP 175 175 ? A -64.294 4.575 13.241 1.000 1 A 60.500 1
ATOM 1372 C CA . ASP 175 175 ? A -65.229 3.443 13.181 1.000 1 A 60.500 1
ATOM 1373 C C . ASP 175 175 ? A -66.120 3.448 11.924 1.000 1 A 60.500 1
ATOM 1374 C CB . ASP 175 175 ? A -66.095 3.439 14.463 1.000 1 A 60.500 1
ATOM 1375 O O . ASP 175 175 ? A -66.480 4.550 11.438 1.000 1 A 60.500 1
ATOM 1376 C CG . ASP 175 175 ? A -65.332 3.223 15.785 1.000 1 A 60.500 1
ATOM 1377 O OD1 . ASP 175 175 ? A -64.512 2.277 15.865 1.000 1 A 60.500 1
ATOM 1378 O OD2 . ASP 175 175 ? A -65.621 3.981 16.743 1.000 1 A 60.500 1
ATOM 1379 O OXT . ASP 175 175 ? A -66.440 2.326 11.469 1.000 1 A 60.500 1

loop_
_atom_type.symbol
C
N
O
S

loop_
_ma_entry_associated_files.id
_ma_entry_associated_files.entry_id
_ma_entry_associated_files.file_url
_ma_entry_associated_files.file_type
_ma_entry_associated_files.file_format
_ma_entry_associated_files.file_content
_ma_entry_associated_files.details
1 ma-ornl-sphdiv-00684 https://modelarchive.org/api/projects/ma-ornl-sphdiv-00684?type=materials_procedures__accompanying_data_file_name archive zip 'archive with multiple files' .

loop_
_ma_associated_archive_file_details.id
_ma_associated_archive_file_details.archive_file_id
_ma_associated_archive_file_details.file_path
_ma_associated_archive_file_details.file_format
_ma_associated_archive_file_details.file_content
_ma_associated_archive_file_details.description
1 1 ma-ornl-sphdiv-00684_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error'

loop_
_ma_qa_metric.id
_ma_qa_metric.name
_ma_qa_metric.description
_ma_qa_metric.type
_ma_qa_metric.mode
_ma_qa_metric.type_other_details
_ma_qa_metric.software_group_id
1 pLDDT . pLDDT local . 1
2 pLDDT . pLDDT global . 1
3 PAE . PAE local-pairwise . 1

loop_
_ma_qa_metric_global.ordinal_id
_ma_qa_metric_global.model_id
_ma_qa_metric_global.metric_id
_ma_qa_metric_global.metric_value
1 1 2 72.610

loop_
_ma_qa_metric_local.ordinal_id
_ma_qa_metric_local.model_id
_ma_qa_metric_local.label_asym_id
_ma_qa_metric_local.label_seq_id
_ma_qa_metric_local.label_comp_id
_ma_qa_metric_local.metric_id
_ma_qa_metric_local.metric_value
1 1 A 1 MET 1 39.910
2 1 A 2 GLU 1 36.530
3 1 A 3 LEU 1 33.750
4 1 A 4 SER 1 36.800
5 1 A 5 PRO 1 35.320
6 1 A 6 PHE 1 31.960
7 1 A 7 VAL 1 39.880
8 1 A 8 HIS 1 36.050
9 1 A 9 HIS 1 34.970
10 1 A 10 HIS 1 37.740
11 1 A 11 HIS 1 33.990
12 1 A 12 HIS 1 32.250
13 1 A 13 HIS 1 34.070
14 1 A 14 GLY 1 28.180
15 1 A 15 LYS 1 36.060
16 1 A 16 LYS 1 31.150
17 1 A 17 GLY 1 30.660
18 1 A 18 ARG 1 27.940
19 1 A 19 GLY 1 29.500
20 1 A 20 GLY 1 24.740
21 1 A 21 GLY 1 27.120
22 1 A 22 GLY 1 24.660
23 1 A 23 GLY 1 24.370
24 1 A 24 GLY 1 25.610
25 1 A 25 GLY 1 23.950
26 1 A 26 GLY 1 26.340
27 1 A 27 GLY 1 24.780
28 1 A 28 GLY 1 27.890
29 1 A 29 VAL 1 30.640
30 1 A 30 ALA 1 28.650
31 1 A 31 ASP 1 33.670
32 1 A 32 LEU 1 29.060
33 1 A 33 TRP 1 28.360
34 1 A 34 ASP 1 29.150
35 1 A 35 VAL 1 32.090
36 1 A 36 ILE 1 27.050
37 1 A 37 ASP 1 34.210
38 1 A 38 PRO 1 34.740
39 1 A 39 LEU 1 39.090
40 1 A 40 GLU 1 35.650
41 1 A 41 ILE 1 41.620
42 1 A 42 ALA 1 41.420
43 1 A 43 LEU 1 39.030
44 1 A 44 THR 1 36.610
45 1 A 45 VAL 1 44.230
46 1 A 46 LEU 1 36.270
47 1 A 47 GLU 1 42.990
48 1 A 48 GLU 1 49.400
49 1 A 49 ASP 1 48.380
50 1 A 50 ALA 1 50.610
51 1 A 51 PRO 1 50.650
52 1 A 52 ARG 1 54.410
53 1 A 53 ARG 1 53.370
54 1 A 54 ALA 1 54.710
55 1 A 55 ARG 1 52.330
56 1 A 56 ALA 1 56.180
57 1 A 57 ARG 1 57.500
58 1 A 58 ASP 1 60.510
59 1 A 59 ARG 1 61.980
60 1 A 60 ARG 1 63.400
61 1 A 61 ALA 1 71.600
62 1 A 62 ILE 1 68.130
63 1 A 63 ALA 1 68.330
64 1 A 64 ASN 1 79.400
65 1 A 65 THR 1 84.430
66 1 A 66 ASN 1 93.170
67 1 A 67 VAL 1 97.040
68 1 A 68 ASP 1 98.290
69 1 A 69 TRP 1 98.340
70 1 A 70 VAL 1 98.260
71 1 A 71 GLU 1 98.170
72 1 A 72 THR 1 96.780
73 1 A 73 PRO 1 95.360
74 1 A 74 GLU 1 96.170
75 1 A 75 ALA 1 98.200
76 1 A 76 HIS 1 98.600
77 1 A 77 ILE 1 98.720
78 1 A 78 PHE 1 98.720
79 1 A 79 LYS 1 98.550
80 1 A 80 VAL 1 98.180
81 1 A 81 ASP 1 96.330
82 1 A 82 LEU 1 95.260
83 1 A 83 PRO 1 93.330
84 1 A 84 GLY 1 91.720
85 1 A 85 VAL 1 93.010
86 1 A 86 GLY 1 91.850
87 1 A 87 SER 1 93.600
88 1 A 88 SER 1 94.330
89 1 A 89 GLU 1 93.620
90 1 A 90 ILE 1 96.440
91 1 A 91 GLU 1 98.060
92 1 A 92 VAL 1 98.080
93 1 A 93 THR 1 98.280
94 1 A 94 VAL 1 97.450
95 1 A 95 GLU 1 95.620
96 1 A 96 ASP 1 95.130
97 1 A 97 ARG 1 94.200
98 1 A 98 THR 1 97.430
99 1 A 99 LEU 1 98.140
100 1 A 100 LYS 1 97.490
101 1 A 101 ILE 1 97.720
102 1 A 102 SER 1 95.860
103 1 A 103 GLY 1 94.890
104 1 A 104 ASN 1 91.320
105 1 A 105 ARG 1 90.370
106 1 A 106 VAL 1 82.980
107 1 A 107 LYS 1 74.380
108 1 A 108 ASP 1 74.700
109 1 A 109 VAL 1 75.430
110 1 A 110 VAL 1 77.170
111 1 A 111 ASN 1 85.540
112 1 A 112 GLU 1 88.390
113 1 A 113 GLY 1 92.600
114 1 A 114 ASP 1 91.310
115 1 A 115 THR 1 92.870
116 1 A 116 TRP 1 87.850
117 1 A 117 HIS 1 93.200
118 1 A 118 LEU 1 89.390
119 1 A 119 ALA 1 86.520
120 1 A 120 GLU 1 88.780
121 1 A 121 ARG 1 88.470
122 1 A 122 PRO 1 86.990
123 1 A 123 ARG 1 86.620
124 1 A 124 GLY 1 88.630
125 1 A 125 HIS 1 90.670
126 1 A 126 PHE 1 92.860
127 1 A 127 VAL 1 93.240
128 1 A 128 ARG 1 94.290
129 1 A 129 ARG 1 95.070
130 1 A 130 PHE 1 96.540
131 1 A 131 LYS 1 97.320
132 1 A 132 LEU 1 98.000
133 1 A 133 PRO 1 97.160
134 1 A 134 LYS 1 95.380
135 1 A 135 ASN 1 95.190
136 1 A 136 ALA 1 97.360
137 1 A 137 ASP 1 96.780
138 1 A 138 VAL 1 95.480
139 1 A 139 ASP 1 95.560
140 1 A 140 ARG 1 96.680
141 1 A 141 ILE 1 97.750
142 1 A 142 ALA 1 98.150
143 1 A 143 ALA 1 98.440
144 1 A 144 VAL 1 97.840
145 1 A 145 VAL 1 97.190
146 1 A 146 THR 1 96.880
147 1 A 147 ASP 1 96.610
148 1 A 148 GLY 1 95.720
149 1 A 149 VAL 1 98.000
150 1 A 150 LEU 1 98.530
151 1 A 151 THR 1 98.720
152 1 A 152 VAL 1 98.780
153 1 A 153 ILE 1 98.670
154 1 A 154 VAL 1 98.510
155 1 A 155 PRO 1 98.400
156 1 A 156 LYS 1 97.640
157 1 A 157 ILE 1 94.350
158 1 A 158 GLU 1 82.100
159 1 A 159 PRO 1 71.190
160 1 A 160 ARG 1 63.770
161 1 A 161 ARG 1 63.620
162 1 A 162 ARG 1 64.270
163 1 A 163 GLN 1 71.900
164 1 A 164 GLU 1 79.940
165 1 A 165 ARG 1 84.890
166 1 A 166 ARG 1 84.940
167 1 A 167 HIS 1 89.730
168 1 A 168 ILE 1 90.530
169 1 A 169 GLU 1 89.780
170 1 A 170 VAL 1 89.940
171 1 A 171 ARG 1 89.860
172 1 A 172 GLU 1 84.650
173 1 A 173 HIS 1 79.110
174 1 A 174 GLY 1 77.700
175 1 A 175 ASP 1 60.500

_database_2.database_id ModelArchive
_database_2.database_code ma-ornl-sphdiv-00684
_database_2.pdbx_DOI 10.5452/ma-ornl-sphdiv-00684

_pdbx_database_status.entry_id ma-ornl-sphdiv-00684
_pdbx_database_status.date_coordinates 2022-09-28:17:40
_pdbx_database_status.status_code REL

loop_
_pdbx_contact_author.id
_pdbx_contact_author.name_salutation
_pdbx_contact_author.name_first
_pdbx_contact_author.name_last
_pdbx_contact_author.name_mi
_pdbx_contact_author.email
_pdbx_contact_author.address_1
_pdbx_contact_author.address_2
_pdbx_contact_author.address_3
1 Dr. Mu Gao . mu.gao@gatech.edu 'Center for the Study of Systems Biology, Georgia Institute of Technology, Atlanta, GA USA' . .
7 Dr. Ada Sedova . sedovaaa@ornl.gov 'Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, TN USA' . .

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 2022-09-28
2 'Structure model' 1 1 2023-06-08
3 'Structure model' 1 2 2023-06-22
4 'Structure model' 1 3 2023-07-17
5 'Structure model' 1 4 2023-07-23

loop_
_pdbx_audit_revision_details.ordinal
_pdbx_audit_revision_details.revision_ordinal
_pdbx_audit_revision_details.data_content_type
_pdbx_audit_revision_details.provider
_pdbx_audit_revision_details.type
_pdbx_audit_revision_details.description
1 1 'Structure model' repository 'Initial release' ?

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' 'Database references'
2 2 'Structure model' 'Source and taxonomy'
3 3 'Structure model' 'Version format compliance'
4 4 'Structure model' Other
5 5 'Structure model' Other

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 2 'Structure model' ma_target_ref_db_details
2 3 'Structure model' audit_conform
3 4 'Structure model' ma_associated_archive_file_details
4 5 'Structure model' exptl

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 2 'Structure model' '_ma_target_ref_db_details.ncbi_taxonomy_id'
2 2 'Structure model' '_ma_target_ref_db_details.organism_scientific'
3 3 'Structure model' '_audit_conform.dict_location'
4 3 'Structure model' '_audit_conform.dict_version'
5 4 'Structure model' '_ma_associated_archive_file_details.file_path'
6 5 'Structure model' '_exptl.entry_id'
7 5 'Structure model' '_exptl.method'