data_ma-t3vr3-015 _entry.id ma-t3vr3-015 _entry.ma_collection_id ma-t3vr3 _struct.entry_id ma-t3vr3-015 _struct.pdbx_model_details ;Predicted interaction between Transcription initiation factor TFIID subunit 4 (residue 1 - 200) and Transformation/transcription domain-associated protein (residue 3681 - 3859). Model generated using AlphaFold2 with a 200 residue separation between the chains starting from a paired Multiple Sequence Alignment(pMSA). ; _struct.pdbx_structure_determination_methodology computational _struct.title 'Predicted interaction between TAF4 (1-200) and TRRAP (3681-3859)' _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 'Computed cancer interactome explains the effects of somatic mutations in cancers.' 'Protein Sci' 31 e4479 . 2022 36261849 10.1002/pro.4479 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 'Zhang, J.' 1 primary 'Pei, J.' 2 primary 'Durham, J.' 3 primary 'Bos, T.' 4 primary 'Cong, Q.' 5 2 'Jumper, J.' 6 2 'Evans, R.' 7 2 'Pritzel, A.' 8 2 'Green, T.' 9 2 'Figurnov, M.' 10 2 'Ronneberger, O.' 11 2 'Tunyasuvunakool, K.' 12 2 'Bates, R.' 13 2 'Zidek, A.' 14 2 'Potapenko, A.' 15 2 'Bridgland, A.' 16 2 'Meyer, C.' 17 2 'Kohl, S.A.A.' 18 2 'Ballard, A.J.' 19 2 'Cowie, A.' 20 2 'Romera-Paredes, B.' 21 2 'Nikolov, S.' 22 2 'Jain, R.' 23 2 'Adler, J.' 24 2 'Back, T.' 25 2 'Petersen, S.' 26 2 'Reiman, D.' 27 2 'Clancy, E.' 28 2 'Zielinski, M.' 29 2 'Steinegger, M.' 30 2 'Pacholska, M.' 31 2 'Berghammer, T.' 32 2 'Bodenstein, S.' 33 2 'Silver, D.' 34 2 'Vinyals, O.' 35 2 'Senior, A.W.' 36 2 'Kavukcuoglu, K.' 37 2 'Kohli, P.' 38 2 'Hassabis, D.' 39 loop_ _software.pdbx_ordinal _software.name _software.classification _software.description _software.version _software.type _software.location _software.citation_id 1 AlphaFold 'model building' 'Structure prediction' 2.0.0 package 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 'Zhang, J.' 1 'Pei, J.' 2 'Durham, J.' 3 'Bos, T.' 4 'Cong, Q.' 5 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' CYS 'L-peptide linking' CYSTEINE 'C3 H7 N O2 S' 121.154 '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' TYR 'L-peptide linking' TYROSINE 'C9 H11 N O3' 181.191 '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 nat 'Homo sapiens (Human) TAF4 (O00268; 1 - 200)' 22028.798 1 . 2 polymer nat 'Homo sapiens (Human) TRRAP (Q9Y4A5; 3681 - 3859)' 23002.474 1 . loop_ _entity_src_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_ncbi_taxonomy_id _entity_src_nat.pdbx_organism_scientific _entity_src_nat.common_name _entity_src_nat.strain 1 1 9606 'Homo sapiens (Human)' . . 2 2 9606 'Homo sapiens (Human)' . . 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 UNP . TAF4_HUMAN O00268 . 1 200 9606 'Homo sapiens (Human)' 2004-12-07 BC2F5B5F143DB145 2 UNP . TRRAP_HUMAN Q9Y4A5 . 3681 3859 9606 'Homo sapiens (Human)' 2006-10-17 391E467C0047B00B 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 ;MAAGSDLLDEVFFNSEVDEKVVSDLVGSLESQLAASAAHHHHLAPRTPEVRAAAAGALGNHVVSGSPAGA AGAGPAAPAEGAPGAAPEPPPAGRARPGGGGPQRPGPPSPRRPLVPAGPAPPAAKLRPPPEGSAGSCAPV PAAAAVAAGPEPAPAGPAKPAGPAALAARAGPGPGPGPGPGPGPGPGKPAGPGAAQTLNG ; ;MAAGSDLLDEVFFNSEVDEKVVSDLVGSLESQLAASAAHHHHLAPRTPEVRAAAAGALGNHVVSGSPAGA AGAGPAAPAEGAPGAAPEPPPAGRARPGGGGPQRPGPPSPRRPLVPAGPAPPAAKLRPPPEGSAGSCAPV PAAAAVAAGPEPAPAGPAKPAGPAALAARAGPGPGPGPGPGPGPGPGKPAGPGAAQTLNG ; 2 polypeptide(L) no no B ;FAEFVLHLNRLNPEMLQIAQDTGKLNVAYFRFDINDATGDLDANRPVPFRLTPNISEFLTTIGVSGPLTA SMIAVARCFAQPNFKVDGILKTVLRDEIIAWHKKTQEDTSSPLSAAGQPENMDSQQLVSLVQKAVTAIMT RLHNLAQFEGGESKVNTLVAAANSLDNLCRMDPAWHPWL ; ;FAEFVLHLNRLNPEMLQIAQDTGKLNVAYFRFDINDATGDLDANRPVPFRLTPNISEFLTTIGVSGPLTA SMIAVARCFAQPNFKVDGILKTVLRDEIIAWHKKTQEDTSSPLSAAGQPENMDSQQLVSLVQKAVTAIMT RLHNLAQFEGGESKVNTLVAAANSLDNLCRMDPAWHPWL ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET . 1 2 ALA . 1 3 ALA . 1 4 GLY . 1 5 SER . 1 6 ASP . 1 7 LEU . 1 8 LEU . 1 9 ASP . 1 10 GLU . 1 11 VAL . 1 12 PHE . 1 13 PHE . 1 14 ASN . 1 15 SER . 1 16 GLU . 1 17 VAL . 1 18 ASP . 1 19 GLU . 1 20 LYS . 1 21 VAL . 1 22 VAL . 1 23 SER . 1 24 ASP . 1 25 LEU . 1 26 VAL . 1 27 GLY . 1 28 SER . 1 29 LEU . 1 30 GLU . 1 31 SER . 1 32 GLN . 1 33 LEU . 1 34 ALA . 1 35 ALA . 1 36 SER . 1 37 ALA . 1 38 ALA . 1 39 HIS . 1 40 HIS . 1 41 HIS . 1 42 HIS . 1 43 LEU . 1 44 ALA . 1 45 PRO . 1 46 ARG . 1 47 THR . 1 48 PRO . 1 49 GLU . 1 50 VAL . 1 51 ARG . 1 52 ALA . 1 53 ALA . 1 54 ALA . 1 55 ALA . 1 56 GLY . 1 57 ALA . 1 58 LEU . 1 59 GLY . 1 60 ASN . 1 61 HIS . 1 62 VAL . 1 63 VAL . 1 64 SER . 1 65 GLY . 1 66 SER . 1 67 PRO . 1 68 ALA . 1 69 GLY . 1 70 ALA . 1 71 ALA . 1 72 GLY . 1 73 ALA . 1 74 GLY . 1 75 PRO . 1 76 ALA . 1 77 ALA . 1 78 PRO . 1 79 ALA . 1 80 GLU . 1 81 GLY . 1 82 ALA . 1 83 PRO . 1 84 GLY . 1 85 ALA . 1 86 ALA . 1 87 PRO . 1 88 GLU . 1 89 PRO . 1 90 PRO . 1 91 PRO . 1 92 ALA . 1 93 GLY . 1 94 ARG . 1 95 ALA . 1 96 ARG . 1 97 PRO . 1 98 GLY . 1 99 GLY . 1 100 GLY . 1 101 GLY . 1 102 PRO . 1 103 GLN . 1 104 ARG . 1 105 PRO . 1 106 GLY . 1 107 PRO . 1 108 PRO . 1 109 SER . 1 110 PRO . 1 111 ARG . 1 112 ARG . 1 113 PRO . 1 114 LEU . 1 115 VAL . 1 116 PRO . 1 117 ALA . 1 118 GLY . 1 119 PRO . 1 120 ALA . 1 121 PRO . 1 122 PRO . 1 123 ALA . 1 124 ALA . 1 125 LYS . 1 126 LEU . 1 127 ARG . 1 128 PRO . 1 129 PRO . 1 130 PRO . 1 131 GLU . 1 132 GLY . 1 133 SER . 1 134 ALA . 1 135 GLY . 1 136 SER . 1 137 CYS . 1 138 ALA . 1 139 PRO . 1 140 VAL . 1 141 PRO . 1 142 ALA . 1 143 ALA . 1 144 ALA . 1 145 ALA . 1 146 VAL . 1 147 ALA . 1 148 ALA . 1 149 GLY . 1 150 PRO . 1 151 GLU . 1 152 PRO . 1 153 ALA . 1 154 PRO . 1 155 ALA . 1 156 GLY . 1 157 PRO . 1 158 ALA . 1 159 LYS . 1 160 PRO . 1 161 ALA . 1 162 GLY . 1 163 PRO . 1 164 ALA . 1 165 ALA . 1 166 LEU . 1 167 ALA . 1 168 ALA . 1 169 ARG . 1 170 ALA . 1 171 GLY . 1 172 PRO . 1 173 GLY . 1 174 PRO . 1 175 GLY . 1 176 PRO . 1 177 GLY . 1 178 PRO . 1 179 GLY . 1 180 PRO . 1 181 GLY . 1 182 PRO . 1 183 GLY . 1 184 PRO . 1 185 GLY . 1 186 PRO . 1 187 GLY . 1 188 LYS . 1 189 PRO . 1 190 ALA . 1 191 GLY . 1 192 PRO . 1 193 GLY . 1 194 ALA . 1 195 ALA . 1 196 GLN . 1 197 THR . 1 198 LEU . 1 199 ASN . 1 200 GLY . 2 1 PHE . 2 2 ALA . 2 3 GLU . 2 4 PHE . 2 5 VAL . 2 6 LEU . 2 7 HIS . 2 8 LEU . 2 9 ASN . 2 10 ARG . 2 11 LEU . 2 12 ASN . 2 13 PRO . 2 14 GLU . 2 15 MET . 2 16 LEU . 2 17 GLN . 2 18 ILE . 2 19 ALA . 2 20 GLN . 2 21 ASP . 2 22 THR . 2 23 GLY . 2 24 LYS . 2 25 LEU . 2 26 ASN . 2 27 VAL . 2 28 ALA . 2 29 TYR . 2 30 PHE . 2 31 ARG . 2 32 PHE . 2 33 ASP . 2 34 ILE . 2 35 ASN . 2 36 ASP . 2 37 ALA . 2 38 THR . 2 39 GLY . 2 40 ASP . 2 41 LEU . 2 42 ASP . 2 43 ALA . 2 44 ASN . 2 45 ARG . 2 46 PRO . 2 47 VAL . 2 48 PRO . 2 49 PHE . 2 50 ARG . 2 51 LEU . 2 52 THR . 2 53 PRO . 2 54 ASN . 2 55 ILE . 2 56 SER . 2 57 GLU . 2 58 PHE . 2 59 LEU . 2 60 THR . 2 61 THR . 2 62 ILE . 2 63 GLY . 2 64 VAL . 2 65 SER . 2 66 GLY . 2 67 PRO . 2 68 LEU . 2 69 THR . 2 70 ALA . 2 71 SER . 2 72 MET . 2 73 ILE . 2 74 ALA . 2 75 VAL . 2 76 ALA . 2 77 ARG . 2 78 CYS . 2 79 PHE . 2 80 ALA . 2 81 GLN . 2 82 PRO . 2 83 ASN . 2 84 PHE . 2 85 LYS . 2 86 VAL . 2 87 ASP . 2 88 GLY . 2 89 ILE . 2 90 LEU . 2 91 LYS . 2 92 THR . 2 93 VAL . 2 94 LEU . 2 95 ARG . 2 96 ASP . 2 97 GLU . 2 98 ILE . 2 99 ILE . 2 100 ALA . 2 101 TRP . 2 102 HIS . 2 103 LYS . 2 104 LYS . 2 105 THR . 2 106 GLN . 2 107 GLU . 2 108 ASP . 2 109 THR . 2 110 SER . 2 111 SER . 2 112 PRO . 2 113 LEU . 2 114 SER . 2 115 ALA . 2 116 ALA . 2 117 GLY . 2 118 GLN . 2 119 PRO . 2 120 GLU . 2 121 ASN . 2 122 MET . 2 123 ASP . 2 124 SER . 2 125 GLN . 2 126 GLN . 2 127 LEU . 2 128 VAL . 2 129 SER . 2 130 LEU . 2 131 VAL . 2 132 GLN . 2 133 LYS . 2 134 ALA . 2 135 VAL . 2 136 THR . 2 137 ALA . 2 138 ILE . 2 139 MET . 2 140 THR . 2 141 ARG . 2 142 LEU . 2 143 HIS . 2 144 ASN . 2 145 LEU . 2 146 ALA . 2 147 GLN . 2 148 PHE . 2 149 GLU . 2 150 GLY . 2 151 GLY . 2 152 GLU . 2 153 SER . 2 154 LYS . 2 155 VAL . 2 156 ASN . 2 157 THR . 2 158 LEU . 2 159 VAL . 2 160 ALA . 2 161 ALA . 2 162 ALA . 2 163 ASN . 2 164 SER . 2 165 LEU . 2 166 ASP . 2 167 ASN . 2 168 LEU . 2 169 CYS . 2 170 ARG . 2 171 MET . 2 172 ASP . 2 173 PRO . 2 174 ALA . 2 175 TRP . 2 176 HIS . 2 177 PRO . 2 178 TRP . 2 179 LEU . loop_ _struct_asym.id _struct_asym.entity_id _struct_asym.details A 1 . B 2 . 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 ALA 2 2 ALA ALA A . A 1 3 ALA 3 3 ALA ALA A . A 1 4 GLY 4 4 GLY GLY A . A 1 5 SER 5 5 SER SER A . A 1 6 ASP 6 6 ASP ASP A . A 1 7 LEU 7 7 LEU LEU A . A 1 8 LEU 8 8 LEU LEU A . A 1 9 ASP 9 9 ASP ASP A . A 1 10 GLU 10 10 GLU GLU A . A 1 11 VAL 11 11 VAL VAL A . A 1 12 PHE 12 12 PHE PHE A . A 1 13 PHE 13 13 PHE PHE A . A 1 14 ASN 14 14 ASN ASN A . A 1 15 SER 15 15 SER SER A . A 1 16 GLU 16 16 GLU GLU A . A 1 17 VAL 17 17 VAL VAL A . A 1 18 ASP 18 18 ASP ASP A . A 1 19 GLU 19 19 GLU GLU A . A 1 20 LYS 20 20 LYS LYS A . A 1 21 VAL 21 21 VAL VAL A . A 1 22 VAL 22 22 VAL VAL A . A 1 23 SER 23 23 SER SER A . A 1 24 ASP 24 24 ASP ASP A . A 1 25 LEU 25 25 LEU LEU A . A 1 26 VAL 26 26 VAL VAL A . A 1 27 GLY 27 27 GLY GLY A . A 1 28 SER 28 28 SER SER A . A 1 29 LEU 29 29 LEU LEU A . A 1 30 GLU 30 30 GLU GLU A . A 1 31 SER 31 31 SER SER A . A 1 32 GLN 32 32 GLN GLN A . A 1 33 LEU 33 33 LEU LEU A . A 1 34 ALA 34 34 ALA ALA A . A 1 35 ALA 35 35 ALA ALA A . A 1 36 SER 36 36 SER SER A . A 1 37 ALA 37 37 ALA ALA A . A 1 38 ALA 38 38 ALA ALA A . A 1 39 HIS 39 39 HIS HIS A . A 1 40 HIS 40 40 HIS HIS A . A 1 41 HIS 41 41 HIS HIS A . A 1 42 HIS 42 42 HIS HIS A . A 1 43 LEU 43 43 LEU LEU A . A 1 44 ALA 44 44 ALA ALA A . A 1 45 PRO 45 45 PRO PRO A . A 1 46 ARG 46 46 ARG ARG A . A 1 47 THR 47 47 THR THR A . A 1 48 PRO 48 48 PRO PRO A . A 1 49 GLU 49 49 GLU GLU A . A 1 50 VAL 50 50 VAL VAL A . A 1 51 ARG 51 51 ARG ARG A . A 1 52 ALA 52 52 ALA ALA A . A 1 53 ALA 53 53 ALA ALA A . A 1 54 ALA 54 54 ALA ALA A . A 1 55 ALA 55 55 ALA ALA A . A 1 56 GLY 56 56 GLY GLY A . A 1 57 ALA 57 57 ALA ALA A . A 1 58 LEU 58 58 LEU LEU A . A 1 59 GLY 59 59 GLY GLY A . A 1 60 ASN 60 60 ASN ASN A . A 1 61 HIS 61 61 HIS HIS A . A 1 62 VAL 62 62 VAL VAL A . A 1 63 VAL 63 63 VAL VAL A . A 1 64 SER 64 64 SER SER A . A 1 65 GLY 65 65 GLY GLY A . A 1 66 SER 66 66 SER SER A . A 1 67 PRO 67 67 PRO PRO A . A 1 68 ALA 68 68 ALA ALA A . A 1 69 GLY 69 69 GLY GLY A . A 1 70 ALA 70 70 ALA ALA A . A 1 71 ALA 71 71 ALA ALA A . A 1 72 GLY 72 72 GLY GLY A . A 1 73 ALA 73 73 ALA ALA A . A 1 74 GLY 74 74 GLY GLY A . A 1 75 PRO 75 75 PRO PRO A . A 1 76 ALA 76 76 ALA ALA A . A 1 77 ALA 77 77 ALA ALA A . A 1 78 PRO 78 78 PRO PRO A . A 1 79 ALA 79 79 ALA ALA A . A 1 80 GLU 80 80 GLU GLU A . A 1 81 GLY 81 81 GLY GLY A . A 1 82 ALA 82 82 ALA ALA A . A 1 83 PRO 83 83 PRO PRO A . A 1 84 GLY 84 84 GLY GLY A . A 1 85 ALA 85 85 ALA ALA A . A 1 86 ALA 86 86 ALA ALA A . A 1 87 PRO 87 87 PRO PRO A . A 1 88 GLU 88 88 GLU GLU A . A 1 89 PRO 89 89 PRO PRO A . A 1 90 PRO 90 90 PRO PRO A . A 1 91 PRO 91 91 PRO PRO A . A 1 92 ALA 92 92 ALA ALA A . A 1 93 GLY 93 93 GLY GLY A . A 1 94 ARG 94 94 ARG ARG A . A 1 95 ALA 95 95 ALA ALA A . A 1 96 ARG 96 96 ARG ARG A . A 1 97 PRO 97 97 PRO PRO A . A 1 98 GLY 98 98 GLY GLY A . A 1 99 GLY 99 99 GLY GLY A . A 1 100 GLY 100 100 GLY GLY A . A 1 101 GLY 101 101 GLY GLY A . A 1 102 PRO 102 102 PRO PRO A . A 1 103 GLN 103 103 GLN GLN A . A 1 104 ARG 104 104 ARG ARG A . A 1 105 PRO 105 105 PRO PRO A . A 1 106 GLY 106 106 GLY GLY A . A 1 107 PRO 107 107 PRO PRO A . A 1 108 PRO 108 108 PRO PRO A . A 1 109 SER 109 109 SER SER A . A 1 110 PRO 110 110 PRO PRO A . A 1 111 ARG 111 111 ARG ARG A . A 1 112 ARG 112 112 ARG ARG A . A 1 113 PRO 113 113 PRO PRO A . A 1 114 LEU 114 114 LEU LEU A . A 1 115 VAL 115 115 VAL VAL A . A 1 116 PRO 116 116 PRO PRO A . A 1 117 ALA 117 117 ALA ALA A . A 1 118 GLY 118 118 GLY GLY A . A 1 119 PRO 119 119 PRO PRO A . A 1 120 ALA 120 120 ALA ALA A . A 1 121 PRO 121 121 PRO PRO A . A 1 122 PRO 122 122 PRO PRO A . A 1 123 ALA 123 123 ALA ALA A . A 1 124 ALA 124 124 ALA ALA A . A 1 125 LYS 125 125 LYS LYS A . A 1 126 LEU 126 126 LEU LEU A . A 1 127 ARG 127 127 ARG ARG A . A 1 128 PRO 128 128 PRO PRO A . A 1 129 PRO 129 129 PRO PRO A . A 1 130 PRO 130 130 PRO PRO A . A 1 131 GLU 131 131 GLU GLU A . A 1 132 GLY 132 132 GLY GLY A . A 1 133 SER 133 133 SER SER A . A 1 134 ALA 134 134 ALA ALA A . A 1 135 GLY 135 135 GLY GLY A . A 1 136 SER 136 136 SER SER A . A 1 137 CYS 137 137 CYS CYS A . A 1 138 ALA 138 138 ALA ALA A . A 1 139 PRO 139 139 PRO PRO A . A 1 140 VAL 140 140 VAL VAL A . A 1 141 PRO 141 141 PRO PRO A . A 1 142 ALA 142 142 ALA ALA A . A 1 143 ALA 143 143 ALA ALA A . A 1 144 ALA 144 144 ALA ALA A . A 1 145 ALA 145 145 ALA ALA A . A 1 146 VAL 146 146 VAL VAL A . A 1 147 ALA 147 147 ALA ALA A . A 1 148 ALA 148 148 ALA ALA A . A 1 149 GLY 149 149 GLY GLY A . A 1 150 PRO 150 150 PRO PRO A . A 1 151 GLU 151 151 GLU GLU A . A 1 152 PRO 152 152 PRO PRO A . A 1 153 ALA 153 153 ALA ALA A . A 1 154 PRO 154 154 PRO PRO A . A 1 155 ALA 155 155 ALA ALA A . A 1 156 GLY 156 156 GLY GLY A . A 1 157 PRO 157 157 PRO PRO A . A 1 158 ALA 158 158 ALA ALA A . A 1 159 LYS 159 159 LYS LYS A . A 1 160 PRO 160 160 PRO PRO A . A 1 161 ALA 161 161 ALA ALA A . A 1 162 GLY 162 162 GLY GLY A . A 1 163 PRO 163 163 PRO PRO A . A 1 164 ALA 164 164 ALA ALA A . A 1 165 ALA 165 165 ALA ALA A . A 1 166 LEU 166 166 LEU LEU A . A 1 167 ALA 167 167 ALA ALA A . A 1 168 ALA 168 168 ALA ALA A . A 1 169 ARG 169 169 ARG ARG A . A 1 170 ALA 170 170 ALA ALA A . A 1 171 GLY 171 171 GLY GLY A . A 1 172 PRO 172 172 PRO PRO A . A 1 173 GLY 173 173 GLY GLY A . A 1 174 PRO 174 174 PRO PRO A . A 1 175 GLY 175 175 GLY GLY A . A 1 176 PRO 176 176 PRO PRO A . A 1 177 GLY 177 177 GLY GLY A . A 1 178 PRO 178 178 PRO PRO A . A 1 179 GLY 179 179 GLY GLY A . A 1 180 PRO 180 180 PRO PRO A . A 1 181 GLY 181 181 GLY GLY A . A 1 182 PRO 182 182 PRO PRO A . A 1 183 GLY 183 183 GLY GLY A . A 1 184 PRO 184 184 PRO PRO A . A 1 185 GLY 185 185 GLY GLY A . A 1 186 PRO 186 186 PRO PRO A . A 1 187 GLY 187 187 GLY GLY A . A 1 188 LYS 188 188 LYS LYS A . A 1 189 PRO 189 189 PRO PRO A . A 1 190 ALA 190 190 ALA ALA A . A 1 191 GLY 191 191 GLY GLY A . A 1 192 PRO 192 192 PRO PRO A . A 1 193 GLY 193 193 GLY GLY A . A 1 194 ALA 194 194 ALA ALA A . A 1 195 ALA 195 195 ALA ALA A . A 1 196 GLN 196 196 GLN GLN A . A 1 197 THR 197 197 THR THR A . A 1 198 LEU 198 198 LEU LEU A . A 1 199 ASN 199 199 ASN ASN A . A 1 200 GLY 200 200 GLY GLY A . B 2 1 PHE 3681 3681 PHE PHE B . B 2 2 ALA 3682 3682 ALA ALA B . B 2 3 GLU 3683 3683 GLU GLU B . B 2 4 PHE 3684 3684 PHE PHE B . B 2 5 VAL 3685 3685 VAL VAL B . B 2 6 LEU 3686 3686 LEU LEU B . B 2 7 HIS 3687 3687 HIS HIS B . B 2 8 LEU 3688 3688 LEU LEU B . B 2 9 ASN 3689 3689 ASN ASN B . B 2 10 ARG 3690 3690 ARG ARG B . B 2 11 LEU 3691 3691 LEU LEU B . B 2 12 ASN 3692 3692 ASN ASN B . B 2 13 PRO 3693 3693 PRO PRO B . B 2 14 GLU 3694 3694 GLU GLU B . B 2 15 MET 3695 3695 MET MET B . B 2 16 LEU 3696 3696 LEU LEU B . B 2 17 GLN 3697 3697 GLN GLN B . B 2 18 ILE 3698 3698 ILE ILE B . B 2 19 ALA 3699 3699 ALA ALA B . B 2 20 GLN 3700 3700 GLN GLN B . B 2 21 ASP 3701 3701 ASP ASP B . B 2 22 THR 3702 3702 THR THR B . B 2 23 GLY 3703 3703 GLY GLY B . B 2 24 LYS 3704 3704 LYS LYS B . B 2 25 LEU 3705 3705 LEU LEU B . B 2 26 ASN 3706 3706 ASN ASN B . B 2 27 VAL 3707 3707 VAL VAL B . B 2 28 ALA 3708 3708 ALA ALA B . B 2 29 TYR 3709 3709 TYR TYR B . B 2 30 PHE 3710 3710 PHE PHE B . B 2 31 ARG 3711 3711 ARG ARG B . B 2 32 PHE 3712 3712 PHE PHE B . B 2 33 ASP 3713 3713 ASP ASP B . B 2 34 ILE 3714 3714 ILE ILE B . B 2 35 ASN 3715 3715 ASN ASN B . B 2 36 ASP 3716 3716 ASP ASP B . B 2 37 ALA 3717 3717 ALA ALA B . B 2 38 THR 3718 3718 THR THR B . B 2 39 GLY 3719 3719 GLY GLY B . B 2 40 ASP 3720 3720 ASP ASP B . B 2 41 LEU 3721 3721 LEU LEU B . B 2 42 ASP 3722 3722 ASP ASP B . B 2 43 ALA 3723 3723 ALA ALA B . B 2 44 ASN 3724 3724 ASN ASN B . B 2 45 ARG 3725 3725 ARG ARG B . B 2 46 PRO 3726 3726 PRO PRO B . B 2 47 VAL 3727 3727 VAL VAL B . B 2 48 PRO 3728 3728 PRO PRO B . B 2 49 PHE 3729 3729 PHE PHE B . B 2 50 ARG 3730 3730 ARG ARG B . B 2 51 LEU 3731 3731 LEU LEU B . B 2 52 THR 3732 3732 THR THR B . B 2 53 PRO 3733 3733 PRO PRO B . B 2 54 ASN 3734 3734 ASN ASN B . B 2 55 ILE 3735 3735 ILE ILE B . B 2 56 SER 3736 3736 SER SER B . B 2 57 GLU 3737 3737 GLU GLU B . B 2 58 PHE 3738 3738 PHE PHE B . B 2 59 LEU 3739 3739 LEU LEU B . B 2 60 THR 3740 3740 THR THR B . B 2 61 THR 3741 3741 THR THR B . B 2 62 ILE 3742 3742 ILE ILE B . B 2 63 GLY 3743 3743 GLY GLY B . B 2 64 VAL 3744 3744 VAL VAL B . B 2 65 SER 3745 3745 SER SER B . B 2 66 GLY 3746 3746 GLY GLY B . B 2 67 PRO 3747 3747 PRO PRO B . B 2 68 LEU 3748 3748 LEU LEU B . B 2 69 THR 3749 3749 THR THR B . B 2 70 ALA 3750 3750 ALA ALA B . B 2 71 SER 3751 3751 SER SER B . B 2 72 MET 3752 3752 MET MET B . B 2 73 ILE 3753 3753 ILE ILE B . B 2 74 ALA 3754 3754 ALA ALA B . B 2 75 VAL 3755 3755 VAL VAL B . B 2 76 ALA 3756 3756 ALA ALA B . B 2 77 ARG 3757 3757 ARG ARG B . B 2 78 CYS 3758 3758 CYS CYS B . B 2 79 PHE 3759 3759 PHE PHE B . B 2 80 ALA 3760 3760 ALA ALA B . B 2 81 GLN 3761 3761 GLN GLN B . B 2 82 PRO 3762 3762 PRO PRO B . B 2 83 ASN 3763 3763 ASN ASN B . B 2 84 PHE 3764 3764 PHE PHE B . B 2 85 LYS 3765 3765 LYS LYS B . B 2 86 VAL 3766 3766 VAL VAL B . B 2 87 ASP 3767 3767 ASP ASP B . B 2 88 GLY 3768 3768 GLY GLY B . B 2 89 ILE 3769 3769 ILE ILE B . B 2 90 LEU 3770 3770 LEU LEU B . B 2 91 LYS 3771 3771 LYS LYS B . B 2 92 THR 3772 3772 THR THR B . B 2 93 VAL 3773 3773 VAL VAL B . B 2 94 LEU 3774 3774 LEU LEU B . B 2 95 ARG 3775 3775 ARG ARG B . B 2 96 ASP 3776 3776 ASP ASP B . B 2 97 GLU 3777 3777 GLU GLU B . B 2 98 ILE 3778 3778 ILE ILE B . B 2 99 ILE 3779 3779 ILE ILE B . B 2 100 ALA 3780 3780 ALA ALA B . B 2 101 TRP 3781 3781 TRP TRP B . B 2 102 HIS 3782 3782 HIS HIS B . B 2 103 LYS 3783 3783 LYS LYS B . B 2 104 LYS 3784 3784 LYS LYS B . B 2 105 THR 3785 3785 THR THR B . B 2 106 GLN 3786 3786 GLN GLN B . B 2 107 GLU 3787 3787 GLU GLU B . B 2 108 ASP 3788 3788 ASP ASP B . B 2 109 THR 3789 3789 THR THR B . B 2 110 SER 3790 3790 SER SER B . B 2 111 SER 3791 3791 SER SER B . B 2 112 PRO 3792 3792 PRO PRO B . B 2 113 LEU 3793 3793 LEU LEU B . B 2 114 SER 3794 3794 SER SER B . B 2 115 ALA 3795 3795 ALA ALA B . B 2 116 ALA 3796 3796 ALA ALA B . B 2 117 GLY 3797 3797 GLY GLY B . B 2 118 GLN 3798 3798 GLN GLN B . B 2 119 PRO 3799 3799 PRO PRO B . B 2 120 GLU 3800 3800 GLU GLU B . B 2 121 ASN 3801 3801 ASN ASN B . B 2 122 MET 3802 3802 MET MET B . B 2 123 ASP 3803 3803 ASP ASP B . B 2 124 SER 3804 3804 SER SER B . B 2 125 GLN 3805 3805 GLN GLN B . B 2 126 GLN 3806 3806 GLN GLN B . B 2 127 LEU 3807 3807 LEU LEU B . B 2 128 VAL 3808 3808 VAL VAL B . B 2 129 SER 3809 3809 SER SER B . B 2 130 LEU 3810 3810 LEU LEU B . B 2 131 VAL 3811 3811 VAL VAL B . B 2 132 GLN 3812 3812 GLN GLN B . B 2 133 LYS 3813 3813 LYS LYS B . B 2 134 ALA 3814 3814 ALA ALA B . B 2 135 VAL 3815 3815 VAL VAL B . B 2 136 THR 3816 3816 THR THR B . B 2 137 ALA 3817 3817 ALA ALA B . B 2 138 ILE 3818 3818 ILE ILE B . B 2 139 MET 3819 3819 MET MET B . B 2 140 THR 3820 3820 THR THR B . B 2 141 ARG 3821 3821 ARG ARG B . B 2 142 LEU 3822 3822 LEU LEU B . B 2 143 HIS 3823 3823 HIS HIS B . B 2 144 ASN 3824 3824 ASN ASN B . B 2 145 LEU 3825 3825 LEU LEU B . B 2 146 ALA 3826 3826 ALA ALA B . B 2 147 GLN 3827 3827 GLN GLN B . B 2 148 PHE 3828 3828 PHE PHE B . B 2 149 GLU 3829 3829 GLU GLU B . B 2 150 GLY 3830 3830 GLY GLY B . B 2 151 GLY 3831 3831 GLY GLY B . B 2 152 GLU 3832 3832 GLU GLU B . B 2 153 SER 3833 3833 SER SER B . B 2 154 LYS 3834 3834 LYS LYS B . B 2 155 VAL 3835 3835 VAL VAL B . B 2 156 ASN 3836 3836 ASN ASN B . B 2 157 THR 3837 3837 THR THR B . B 2 158 LEU 3838 3838 LEU LEU B . B 2 159 VAL 3839 3839 VAL VAL B . B 2 160 ALA 3840 3840 ALA ALA B . B 2 161 ALA 3841 3841 ALA ALA B . B 2 162 ALA 3842 3842 ALA ALA B . B 2 163 ASN 3843 3843 ASN ASN B . B 2 164 SER 3844 3844 SER SER B . B 2 165 LEU 3845 3845 LEU LEU B . B 2 166 ASP 3846 3846 ASP ASP B . B 2 167 ASN 3847 3847 ASN ASN B . B 2 168 LEU 3848 3848 LEU LEU B . B 2 169 CYS 3849 3849 CYS CYS B . B 2 170 ARG 3850 3850 ARG ARG B . B 2 171 MET 3851 3851 MET MET B . B 2 172 ASP 3852 3852 ASP ASP B . B 2 173 PRO 3853 3853 PRO PRO B . B 2 174 ALA 3854 3854 ALA ALA B . B 2 175 TRP 3855 3855 TRP TRP B . B 2 176 HIS 3856 3856 HIS HIS B . B 2 177 PRO 3857 3857 PRO PRO B . B 2 178 TRP 3858 3858 TRP TRP B . B 2 179 LEU 3859 3859 LEU LEU B . loop_ _ma_data.id _ma_data.name _ma_data.content_type 1 'Homo sapiens (Human) TAF4 (O00268; 1 - 200)' target 2 'Homo sapiens (Human) TRRAP (Q9Y4A5; 3681 - 3859)' target 3 'Model 3' 'model coordinates' 4 'Paired MSA for the dimer' 'coevolution MSA' loop_ _ma_data_group.ordinal_id _ma_data_group.group_id _ma_data_group.data_id 1 1 1 2 1 2 3 2 1 4 2 2 5 2 4 6 3 4 7 4 3 loop_ _ma_target_entity.entity_id _ma_target_entity.data_id _ma_target_entity.origin 1 1 'reference database' 2 2 'reference database' loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.entity_id _ma_target_entity_instance.details A 1 . B 2 . 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 _ma_protocol_step.input_data_group_id _ma_protocol_step.output_data_group_id 1 1 1 'coevolution MSA' . 'Create paired MSAs for the dimers' . 1 3 2 1 2 modeling . "Model using AlphaFold ('model 3' parameters; pTM monomer version) with a 200 residue gap between the two chains, without templates and without model relaxation" 1 2 4 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 'Model 3' . 3 '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 -25.148 18.359 21.860 1.000 1 A 48.867 1 ATOM 2 C CA . MET 1 1 ? A -24.634 17.273 21.031 1.000 1 A 48.867 1 ATOM 3 C C . MET 1 1 ? A -24.413 17.741 19.596 1.000 1 A 48.867 1 ATOM 4 O O . MET 1 1 ? A -23.985 16.961 18.743 1.000 1 A 48.867 1 ATOM 5 C CB . MET 1 1 ? A -25.593 16.081 21.050 1.000 1 A 48.867 1 ATOM 6 C CG . MET 1 1 ? A -25.292 15.069 22.143 1.000 1 A 48.867 1 ATOM 7 S SD . MET 1 1 ? A -25.915 13.391 21.739 1.000 1 A 48.867 1 ATOM 8 C CE . MET 1 1 ? A -26.640 12.925 23.335 1.000 1 A 48.867 1 ATOM 9 N N . ALA 2 2 ? A -24.325 19.085 19.240 1.000 1 A 51.603 1 ATOM 10 C CA . ALA 2 2 ? A -24.270 19.712 17.921 1.000 1 A 51.603 1 ATOM 11 C C . ALA 2 2 ? A -22.864 20.220 17.613 1.000 1 A 51.603 1 ATOM 12 O O . ALA 2 2 ? A -22.459 20.278 16.450 1.000 1 A 51.603 1 ATOM 13 C CB . ALA 2 2 ? A -25.277 20.856 17.834 1.000 1 A 51.603 1 ATOM 14 N N . ALA 3 3 ? A -21.981 20.261 18.619 1.000 1 A 58.391 1 ATOM 15 C CA . ALA 3 3 ? A -20.671 20.841 18.333 1.000 1 A 58.391 1 ATOM 16 C C . ALA 3 3 ? A -19.701 19.779 17.822 1.000 1 A 58.391 1 ATOM 17 O O . ALA 3 3 ? A -18.858 20.060 16.967 1.000 1 A 58.391 1 ATOM 18 C CB . ALA 3 3 ? A -20.105 21.518 19.579 1.000 1 A 58.391 1 ATOM 19 N N . GLY 4 4 ? A -19.935 18.469 18.135 1.000 1 A 58.792 1 ATOM 20 C CA . GLY 4 4 ? A -19.027 17.406 17.734 1.000 1 A 58.792 1 ATOM 21 C C . GLY 4 4 ? A -19.232 16.956 16.300 1.000 1 A 58.792 1 ATOM 22 O O . GLY 4 4 ? A -18.265 16.680 15.586 1.000 1 A 58.792 1 ATOM 23 N N . SER 5 5 ? A -20.522 16.951 15.870 1.000 1 A 64.882 1 ATOM 24 C CA . SER 5 5 ? A -20.847 16.588 14.494 1.000 1 A 64.882 1 ATOM 25 C C . SER 5 5 ? A -20.360 17.649 13.513 1.000 1 A 64.882 1 ATOM 26 O O . SER 5 5 ? A -19.922 17.325 12.407 1.000 1 A 64.882 1 ATOM 27 C CB . SER 5 5 ? A -22.354 16.387 14.333 1.000 1 A 64.882 1 ATOM 28 O OG . SER 5 5 ? A -22.832 15.414 15.247 1.000 1 A 64.882 1 ATOM 29 N N . ASP 6 6 ? A -20.390 18.955 13.975 1.000 1 A 65.272 1 ATOM 30 C CA . ASP 6 6 ? A -19.955 20.073 13.143 1.000 1 A 65.272 1 ATOM 31 C C . ASP 6 6 ? A -18.449 20.018 12.894 1.000 1 A 65.272 1 ATOM 32 O O . ASP 6 6 ? A -17.985 20.326 11.794 1.000 1 A 65.272 1 ATOM 33 C CB . ASP 6 6 ? A -20.332 21.405 13.794 1.000 1 A 65.272 1 ATOM 34 C CG . ASP 6 6 ? A -21.748 21.846 13.466 1.000 1 A 65.272 1 ATOM 35 O OD1 . ASP 6 6 ? A -22.332 21.339 12.484 1.000 1 A 65.272 1 ATOM 36 O OD2 . ASP 6 6 ? A -22.283 22.710 14.193 1.000 1 A 65.272 1 ATOM 37 N N . LEU 7 7 ? A -17.711 19.539 13.887 1.000 1 A 69.293 1 ATOM 38 C CA . LEU 7 7 ? A -16.261 19.421 13.768 1.000 1 A 69.293 1 ATOM 39 C C . LEU 7 7 ? A -15.884 18.287 12.821 1.000 1 A 69.293 1 ATOM 40 O O . LEU 7 7 ? A -14.962 18.426 12.015 1.000 1 A 69.293 1 ATOM 41 C CB . LEU 7 7 ? A -15.629 19.186 15.142 1.000 1 A 69.293 1 ATOM 42 C CG . LEU 7 7 ? A -14.100 19.178 15.192 1.000 1 A 69.293 1 ATOM 43 C CD1 . LEU 7 7 ? A -13.552 20.560 14.852 1.000 1 A 69.293 1 ATOM 44 C CD2 . LEU 7 7 ? A -13.612 18.727 16.565 1.000 1 A 69.293 1 ATOM 45 N N . LEU 8 8 ? A -16.654 17.221 12.947 1.000 1 A 68.915 1 ATOM 46 C CA . LEU 8 8 ? A -16.377 16.069 12.097 1.000 1 A 68.915 1 ATOM 47 C C . LEU 8 8 ? A -16.687 16.383 10.637 1.000 1 A 68.915 1 ATOM 48 O O . LEU 8 8 ? A -15.931 16.001 9.741 1.000 1 A 68.915 1 ATOM 49 C CB . LEU 8 8 ? A -17.191 14.856 12.555 1.000 1 A 68.915 1 ATOM 50 C CG . LEU 8 8 ? A -16.773 14.220 13.882 1.000 1 A 68.915 1 ATOM 51 C CD1 . LEU 8 8 ? A -17.712 13.073 14.239 1.000 1 A 68.915 1 ATOM 52 C CD2 . LEU 8 8 ? A -15.330 13.734 13.811 1.000 1 A 68.915 1 ATOM 53 N N . ASP 9 9 ? A -17.732 17.106 10.493 1.000 1 A 67.392 1 ATOM 54 C CA . ASP 9 9 ? A -18.138 17.488 9.144 1.000 1 A 67.392 1 ATOM 55 C C . ASP 9 9 ? A -17.151 18.481 8.533 1.000 1 A 67.392 1 ATOM 56 O O . ASP 9 9 ? A -16.863 18.421 7.336 1.000 1 A 67.392 1 ATOM 57 C CB . ASP 9 9 ? A -19.546 18.087 9.157 1.000 1 A 67.392 1 ATOM 58 C CG . ASP 9 9 ? A -20.634 17.042 9.333 1.000 1 A 67.392 1 ATOM 59 O OD1 . ASP 9 9 ? A -20.403 15.860 8.999 1.000 1 A 67.392 1 ATOM 60 O OD2 . ASP 9 9 ? A -21.732 17.405 9.806 1.000 1 A 67.392 1 ATOM 61 N N . GLU 10 10 ? A -16.632 19.320 9.361 1.000 1 A 69.254 1 ATOM 62 C CA . GLU 10 10 ? A -15.696 20.335 8.887 1.000 1 A 69.254 1 ATOM 63 C C . GLU 10 10 ? A -14.341 19.720 8.549 1.000 1 A 69.254 1 ATOM 64 O O . GLU 10 10 ? A -13.723 20.081 7.544 1.000 1 A 69.254 1 ATOM 65 C CB . GLU 10 10 ? A -15.526 21.440 9.932 1.000 1 A 69.254 1 ATOM 66 C CG . GLU 10 10 ? A -14.845 22.692 9.399 1.000 1 A 69.254 1 ATOM 67 C CD . GLU 10 10 ? A -14.637 23.761 10.460 1.000 1 A 69.254 1 ATOM 68 O OE1 . GLU 10 10 ? A -13.879 24.725 10.210 1.000 1 A 69.254 1 ATOM 69 O OE2 . GLU 10 10 ? A -15.237 23.632 11.551 1.000 1 A 69.254 1 ATOM 70 N N . VAL 11 11 ? A -13.964 18.738 9.375 1.000 1 A 70.073 1 ATOM 71 C CA . VAL 11 11 ? A -12.637 18.155 9.208 1.000 1 A 70.073 1 ATOM 72 C C . VAL 11 11 ? A -12.648 17.169 8.042 1.000 1 A 70.073 1 ATOM 73 O O . VAL 11 11 ? A -11.724 17.152 7.226 1.000 1 A 70.073 1 ATOM 74 C CB . VAL 11 11 ? A -12.161 17.449 10.498 1.000 1 A 70.073 1 ATOM 75 C CG1 . VAL 11 11 ? A -10.836 16.726 10.260 1.000 1 A 70.073 1 ATOM 76 C CG2 . VAL 11 11 ? A -12.026 18.457 11.638 1.000 1 A 70.073 1 ATOM 77 N N . PHE 12 12 ? A -13.803 16.508 7.851 1.000 1 A 68.714 1 ATOM 78 C CA . PHE 12 12 ? A -13.785 15.397 6.906 1.000 1 A 68.714 1 ATOM 79 C C . PHE 12 12 ? A -14.465 15.788 5.599 1.000 1 A 68.714 1 ATOM 80 O O . PHE 12 12 ? A -14.107 15.285 4.533 1.000 1 A 68.714 1 ATOM 81 C CB . PHE 12 12 ? A -14.472 14.167 7.508 1.000 1 A 68.714 1 ATOM 82 C CG . PHE 12 12 ? A -13.653 13.468 8.559 1.000 1 A 68.714 1 ATOM 83 C CD1 . PHE 12 12 ? A -12.467 12.825 8.224 1.000 1 A 68.714 1 ATOM 84 C CD2 . PHE 12 12 ? A -14.068 13.455 9.884 1.000 1 A 68.714 1 ATOM 85 C CE1 . PHE 12 12 ? A -11.707 12.178 9.195 1.000 1 A 68.714 1 ATOM 86 C CE2 . PHE 12 12 ? A -13.314 12.810 10.861 1.000 1 A 68.714 1 ATOM 87 C CZ . PHE 12 12 ? A -12.134 12.171 10.513 1.000 1 A 68.714 1 ATOM 88 N N . PHE 13 13 ? A -15.458 16.688 5.588 1.000 1 A 65.245 1 ATOM 89 C CA . PHE 13 13 ? A -16.201 17.016 4.376 1.000 1 A 65.245 1 ATOM 90 C C . PHE 13 13 ? A -15.503 18.125 3.597 1.000 1 A 65.245 1 ATOM 91 O O . PHE 13 13 ? A -15.904 18.451 2.478 1.000 1 A 65.245 1 ATOM 92 C CB . PHE 13 13 ? A -17.633 17.438 4.719 1.000 1 A 65.245 1 ATOM 93 C CG . PHE 13 13 ? A -18.583 16.282 4.881 1.000 1 A 65.245 1 ATOM 94 C CD1 . PHE 13 13 ? A -19.089 15.620 3.770 1.000 1 A 65.245 1 ATOM 95 C CD2 . PHE 13 13 ? A -18.971 15.859 6.146 1.000 1 A 65.245 1 ATOM 96 C CE1 . PHE 13 13 ? A -19.969 14.550 3.917 1.000 1 A 65.245 1 ATOM 97 C CE2 . PHE 13 13 ? A -19.850 14.791 6.301 1.000 1 A 65.245 1 ATOM 98 C CZ . PHE 13 13 ? A -20.349 14.138 5.185 1.000 1 A 65.245 1 ATOM 99 N N . ASN 14 14 ? A -14.427 18.688 4.250 1.000 1 A 60.050 1 ATOM 100 C CA . ASN 14 14 ? A -13.739 19.663 3.411 1.000 1 A 60.050 1 ATOM 101 C C . ASN 14 14 ? A -13.028 18.991 2.239 1.000 1 A 60.050 1 ATOM 102 O O . ASN 14 14 ? A -12.493 19.670 1.361 1.000 1 A 60.050 1 ATOM 103 C CB . ASN 14 14 ? A -12.744 20.478 4.239 1.000 1 A 60.050 1 ATOM 104 C CG . ASN 14 14 ? A -13.395 21.649 4.947 1.000 1 A 60.050 1 ATOM 105 O OD1 . ASN 14 14 ? A -14.406 22.186 4.486 1.000 1 A 60.050 1 ATOM 106 N ND2 . ASN 14 14 ? A -12.821 22.055 6.074 1.000 1 A 60.050 1 ATOM 107 N N . SER 15 15 ? A -13.357 17.680 2.065 1.000 1 A 60.087 1 ATOM 108 C CA . SER 15 15 ? A -12.608 17.074 0.969 1.000 1 A 60.087 1 ATOM 109 C C . SER 15 15 ? A -13.512 16.782 -0.224 1.000 1 A 60.087 1 ATOM 110 O O . SER 15 15 ? A -13.966 15.649 -0.402 1.000 1 A 60.087 1 ATOM 111 C CB . SER 15 15 ? A -11.928 15.786 1.432 1.000 1 A 60.087 1 ATOM 112 O OG . SER 15 15 ? A -11.271 15.981 2.673 1.000 1 A 60.087 1 ATOM 113 N N . GLU 16 16 ? A -14.510 17.639 -0.581 1.000 1 A 63.734 1 ATOM 114 C CA . GLU 16 16 ? A -15.310 17.349 -1.767 1.000 1 A 63.734 1 ATOM 115 C C . GLU 16 16 ? A -14.466 16.694 -2.856 1.000 1 A 63.734 1 ATOM 116 O O . GLU 16 16 ? A -13.473 17.267 -3.308 1.000 1 A 63.734 1 ATOM 117 C CB . GLU 16 16 ? A -15.961 18.627 -2.303 1.000 1 A 63.734 1 ATOM 118 C CG . GLU 16 16 ? A -17.366 18.420 -2.849 1.000 1 A 63.734 1 ATOM 119 C CD . GLU 16 16 ? A -18.092 19.722 -3.147 1.000 1 A 63.734 1 ATOM 120 O OE1 . GLU 16 16 ? A -19.247 19.676 -3.629 1.000 1 A 63.734 1 ATOM 121 O OE2 . GLU 16 16 ? A -17.501 20.796 -2.898 1.000 1 A 63.734 1 ATOM 122 N N . VAL 17 17 ? A -14.290 15.448 -2.688 1.000 1 A 68.077 1 ATOM 123 C CA . VAL 17 17 ? A -13.671 14.666 -3.754 1.000 1 A 68.077 1 ATOM 124 C C . VAL 17 17 ? A -14.471 14.828 -5.045 1.000 1 A 68.077 1 ATOM 125 O O . VAL 17 17 ? A -15.642 14.448 -5.109 1.000 1 A 68.077 1 ATOM 126 C CB . VAL 17 17 ? A -13.568 13.172 -3.375 1.000 1 A 68.077 1 ATOM 127 C CG1 . VAL 17 17 ? A -12.888 12.378 -4.489 1.000 1 A 68.077 1 ATOM 128 C CG2 . VAL 17 17 ? A -12.811 13.007 -2.058 1.000 1 A 68.077 1 ATOM 129 N N . ASP 18 18 ? A -14.026 15.686 -5.911 1.000 1 A 80.549 1 ATOM 130 C CA . ASP 18 18 ? A -14.615 15.978 -7.214 1.000 1 A 80.549 1 ATOM 131 C C . ASP 18 18 ? A -14.376 14.832 -8.194 1.000 1 A 80.549 1 ATOM 132 O O . ASP 18 18 ? A -13.305 14.222 -8.195 1.000 1 A 80.549 1 ATOM 133 C CB . ASP 18 18 ? A -14.045 17.281 -7.779 1.000 1 A 80.549 1 ATOM 134 C CG . ASP 18 18 ? A -14.897 17.867 -8.892 1.000 1 A 80.549 1 ATOM 135 O OD1 . ASP 18 18 ? A -15.349 17.109 -9.778 1.000 1 A 80.549 1 ATOM 136 O OD2 . ASP 18 18 ? A -15.116 19.097 -8.885 1.000 1 A 80.549 1 ATOM 137 N N . GLU 19 19 ? A -15.395 14.340 -8.774 1.000 1 A 87.129 1 ATOM 138 C CA . GLU 19 19 ? A -15.323 13.326 -9.821 1.000 1 A 87.129 1 ATOM 139 C C . GLU 19 19 ? A -14.211 13.641 -10.818 1.000 1 A 87.129 1 ATOM 140 O O . GLU 19 19 ? A -13.566 12.731 -11.344 1.000 1 A 87.129 1 ATOM 141 C CB . GLU 19 19 ? A -16.664 13.208 -10.549 1.000 1 A 87.129 1 ATOM 142 C CG . GLU 19 19 ? A -16.784 11.966 -11.420 1.000 1 A 87.129 1 ATOM 143 C CD . GLU 19 19 ? A -18.147 11.825 -12.080 1.000 1 A 87.129 1 ATOM 144 O OE1 . GLU 19 19 ? A -18.301 10.966 -12.977 1.000 1 A 87.129 1 ATOM 145 O OE2 . GLU 19 19 ? A -19.067 12.581 -11.697 1.000 1 A 87.129 1 ATOM 146 N N . LYS 20 20 ? A -14.001 14.939 -11.051 1.000 1 A 89.254 1 ATOM 147 C CA . LYS 20 20 ? A -12.938 15.377 -11.951 1.000 1 A 89.254 1 ATOM 148 C C . LYS 20 20 ? A -11.564 14.998 -11.405 1.000 1 A 89.254 1 ATOM 149 O O . LYS 20 20 ? A -10.697 14.545 -12.154 1.000 1 A 89.254 1 ATOM 150 C CB . LYS 20 20 ? A -13.014 16.888 -12.177 1.000 1 A 89.254 1 ATOM 151 C CG . LYS 20 20 ? A -11.985 17.419 -13.164 1.000 1 A 89.254 1 ATOM 152 C CD . LYS 20 20 ? A -12.114 18.925 -13.349 1.000 1 A 89.254 1 ATOM 153 C CE . LYS 20 20 ? A -11.080 19.458 -14.332 1.000 1 A 89.254 1 ATOM 154 N NZ . LYS 20 20 ? A -9.724 19.553 -13.713 1.000 1 A 89.254 1 ATOM 155 N N . VAL 21 21 ? A -11.378 15.197 -10.131 1.000 1 A 87.666 1 ATOM 156 C CA . VAL 21 21 ? A -10.113 14.866 -9.483 1.000 1 A 87.666 1 ATOM 157 C C . VAL 21 21 ? A -9.844 13.368 -9.609 1.000 1 A 87.666 1 ATOM 158 O O . VAL 21 21 ? A -8.727 12.957 -9.933 1.000 1 A 87.666 1 ATOM 159 C CB . VAL 21 21 ? A -10.111 15.284 -7.996 1.000 1 A 87.666 1 ATOM 160 C CG1 . VAL 21 21 ? A -8.876 14.736 -7.283 1.000 1 A 87.666 1 ATOM 161 C CG2 . VAL 21 21 ? A -10.173 16.806 -7.870 1.000 1 A 87.666 1 ATOM 162 N N . VAL 22 22 ? A -10.874 12.574 -9.372 1.000 1 A 87.482 1 ATOM 163 C CA . VAL 22 22 ? A -10.742 11.123 -9.459 1.000 1 A 87.482 1 ATOM 164 C C . VAL 22 22 ? A -10.406 10.720 -10.893 1.000 1 A 87.482 1 ATOM 165 O O . VAL 22 22 ? A -9.509 9.905 -11.120 1.000 1 A 87.482 1 ATOM 166 C CB . VAL 22 22 ? A -12.030 10.407 -8.993 1.000 1 A 87.482 1 ATOM 167 C CG1 . VAL 22 22 ? A -11.920 8.900 -9.214 1.000 1 A 87.482 1 ATOM 168 C CG2 . VAL 22 22 ? A -12.309 10.716 -7.523 1.000 1 A 87.482 1 ATOM 169 N N . SER 23 23 ? A -11.123 11.315 -11.891 1.000 1 A 91.908 1 ATOM 170 C CA . SER 23 23 ? A -10.866 11.027 -13.298 1.000 1 A 91.908 1 ATOM 171 C C . SER 23 23 ? A -9.450 11.433 -13.695 1.000 1 A 91.908 1 ATOM 172 O O . SER 23 23 ? A -8.767 10.699 -14.412 1.000 1 A 91.908 1 ATOM 173 C CB . SER 23 23 ? A -11.880 11.747 -14.188 1.000 1 A 91.908 1 ATOM 174 O OG . SER 23 23 ? A -11.663 11.434 -15.553 1.000 1 A 91.908 1 ATOM 175 N N . ASP 24 24 ? A -8.951 12.612 -13.248 1.000 1 A 92.204 1 ATOM 176 C CA . ASP 24 24 ? A -7.597 13.085 -13.521 1.000 1 A 92.204 1 ATOM 177 C C . ASP 24 24 ? A -6.556 12.154 -12.904 1.000 1 A 92.204 1 ATOM 178 O O . ASP 24 24 ? A -5.519 11.883 -13.513 1.000 1 A 92.204 1 ATOM 179 C CB . ASP 24 24 ? A -7.409 14.508 -12.993 1.000 1 A 92.204 1 ATOM 180 C CG . ASP 24 24 ? A -8.163 15.547 -13.804 1.000 1 A 92.204 1 ATOM 181 O OD1 . ASP 24 24 ? A -8.612 15.234 -14.928 1.000 1 A 92.204 1 ATOM 182 O OD2 . ASP 24 24 ? A -8.308 16.689 -13.316 1.000 1 A 92.204 1 ATOM 183 N N . LEU 25 25 ? A -6.844 11.732 -11.637 1.000 1 A 90.835 1 ATOM 184 C CA . LEU 25 25 ? A -5.954 10.794 -10.961 1.000 1 A 90.835 1 ATOM 185 C C . LEU 25 25 ? A -5.826 9.498 -11.754 1.000 1 A 90.835 1 ATOM 186 O O . LEU 25 25 ? A -4.715 9.021 -11.998 1.000 1 A 90.835 1 ATOM 187 C CB . LEU 25 25 ? A -6.464 10.493 -9.549 1.000 1 A 90.835 1 ATOM 188 C CG . LEU 25 25 ? A -5.655 9.481 -8.737 1.000 1 A 90.835 1 ATOM 189 C CD1 . LEU 25 25 ? A -4.214 9.957 -8.580 1.000 1 A 90.835 1 ATOM 190 C CD2 . LEU 25 25 ? A -6.299 9.251 -7.374 1.000 1 A 90.835 1 ATOM 191 N N . VAL 26 26 ? A -6.991 8.967 -12.179 1.000 1 A 91.862 1 ATOM 192 C CA . VAL 26 26 ? A -6.992 7.728 -12.950 1.000 1 A 91.862 1 ATOM 193 C C . VAL 26 26 ? A -6.256 7.940 -14.271 1.000 1 A 91.862 1 ATOM 194 O O . VAL 26 26 ? A -5.456 7.097 -14.686 1.000 1 A 91.862 1 ATOM 195 C CB . VAL 26 26 ? A -8.429 7.225 -13.215 1.000 1 A 91.862 1 ATOM 196 C CG1 . VAL 26 26 ? A -8.417 6.042 -14.181 1.000 1 A 91.862 1 ATOM 197 C CG2 . VAL 26 26 ? A -9.109 6.841 -11.902 1.000 1 A 91.862 1 ATOM 198 N N . GLY 27 27 ? A -6.531 9.063 -14.935 1.000 1 A 93.986 1 ATOM 199 C CA . GLY 27 27 ? A -5.835 9.407 -16.164 1.000 1 A 93.986 1 ATOM 200 C C . GLY 27 27 ? A -4.332 9.519 -15.988 1.000 1 A 93.986 1 ATOM 201 O O . GLY 27 27 ? A -3.566 9.037 -16.825 1.000 1 A 93.986 1 ATOM 202 N N . SER 28 28 ? A -3.886 10.157 -14.945 1.000 1 A 92.869 1 ATOM 203 C CA . SER 28 28 ? A -2.467 10.300 -14.634 1.000 1 A 92.869 1 ATOM 204 C C . SER 28 28 ? A -1.822 8.946 -14.358 1.000 1 A 92.869 1 ATOM 205 O O . SER 28 28 ? A -0.706 8.681 -14.808 1.000 1 A 92.869 1 ATOM 206 C CB . SER 28 28 ? A -2.272 11.223 -13.431 1.000 1 A 92.869 1 ATOM 207 O OG . SER 28 28 ? A -0.894 11.397 -13.148 1.000 1 A 92.869 1 ATOM 208 N N . LEU 29 29 ? A -2.508 8.098 -13.625 1.000 1 A 91.884 1 ATOM 209 C CA . LEU 29 29 ? A -2.024 6.753 -13.330 1.000 1 A 91.884 1 ATOM 210 C C . LEU 29 29 ? A -1.828 5.952 -14.612 1.000 1 A 91.884 1 ATOM 211 O O . LEU 29 29 ? A -0.788 5.317 -14.799 1.000 1 A 91.884 1 ATOM 212 C CB . LEU 29 29 ? A -3.001 6.024 -12.403 1.000 1 A 91.884 1 ATOM 213 C CG . LEU 29 29 ? A -2.542 4.666 -11.868 1.000 1 A 91.884 1 ATOM 214 C CD1 . LEU 29 29 ? A -1.245 4.818 -11.080 1.000 1 A 91.884 1 ATOM 215 C CD2 . LEU 29 29 ? A -3.629 4.037 -11.003 1.000 1 A 91.884 1 ATOM 216 N N . GLU 30 30 ? A -2.815 6.011 -15.481 1.000 1 A 92.368 1 ATOM 217 C CA . GLU 30 30 ? A -2.741 5.283 -16.745 1.000 1 A 92.368 1 ATOM 218 C C . GLU 30 30 ? A -1.583 5.784 -17.603 1.000 1 A 92.368 1 ATOM 219 O O . GLU 30 30 ? A -0.878 4.989 -18.229 1.000 1 A 92.368 1 ATOM 220 C CB . GLU 30 30 ? A -4.058 5.405 -17.515 1.000 1 A 92.368 1 ATOM 221 C CG . GLU 30 30 ? A -5.208 4.625 -16.894 1.000 1 A 92.368 1 ATOM 222 C CD . GLU 30 30 ? A -6.508 4.753 -17.672 1.000 1 A 92.368 1 ATOM 223 O OE1 . GLU 30 30 ? A -7.434 3.941 -17.444 1.000 1 A 92.368 1 ATOM 224 O OE2 . GLU 30 30 ? A -6.602 5.671 -18.516 1.000 1 A 92.368 1 ATOM 225 N N . SER 31 31 ? A -1.438 7.100 -17.641 1.000 1 A 93.000 1 ATOM 226 C CA . SER 31 31 ? A -0.366 7.714 -18.419 1.000 1 A 93.000 1 ATOM 227 C C . SER 31 31 ? A 1.004 7.328 -17.872 1.000 1 A 93.000 1 ATOM 228 O O . SER 31 31 ? A 1.904 6.970 -18.635 1.000 1 A 93.000 1 ATOM 229 C CB . SER 31 31 ? A -0.512 9.236 -18.424 1.000 1 A 93.000 1 ATOM 230 O OG . SER 31 31 ? A 0.547 9.840 -19.147 1.000 1 A 93.000 1 ATOM 231 N N . GLN 32 32 ? A 1.175 7.289 -16.519 1.000 1 A 89.384 1 ATOM 232 C CA . GLN 32 32 ? A 2.452 6.985 -15.883 1.000 1 A 89.384 1 ATOM 233 C C . GLN 32 32 ? A 2.806 5.508 -16.038 1.000 1 A 89.384 1 ATOM 234 O O . GLN 32 32 ? A 3.972 5.162 -16.241 1.000 1 A 89.384 1 ATOM 235 C CB . GLN 32 32 ? A 2.418 7.363 -14.401 1.000 1 A 89.384 1 ATOM 236 C CG . GLN 32 32 ? A 2.430 8.865 -14.150 1.000 1 A 89.384 1 ATOM 237 C CD . GLN 32 32 ? A 2.551 9.213 -12.678 1.000 1 A 89.384 1 ATOM 238 O OE1 . GLN 32 32 ? A 2.038 8.497 -11.813 1.000 1 A 89.384 1 ATOM 239 N NE2 . GLN 32 32 ? A 3.230 10.317 -12.384 1.000 1 A 89.384 1 ATOM 240 N N . LEU 33 33 ? A 1.742 4.688 -15.922 1.000 1 A 89.195 1 ATOM 241 C CA . LEU 33 33 ? A 1.961 3.256 -16.089 1.000 1 A 89.195 1 ATOM 242 C C . LEU 33 33 ? A 2.310 2.923 -17.536 1.000 1 A 89.195 1 ATOM 243 O O . LEU 33 33 ? A 3.158 2.066 -17.793 1.000 1 A 89.195 1 ATOM 244 C CB . LEU 33 33 ? A 0.720 2.470 -15.657 1.000 1 A 89.195 1 ATOM 245 C CG . LEU 33 33 ? A 0.462 2.383 -14.152 1.000 1 A 89.195 1 ATOM 246 C CD1 . LEU 33 33 ? A -0.924 1.806 -13.885 1.000 1 A 89.195 1 ATOM 247 C CD2 . LEU 33 33 ? A 1.537 1.542 -13.473 1.000 1 A 89.195 1 ATOM 248 N N . ALA 34 34 ? A 1.715 3.616 -18.476 1.000 1 A 89.769 1 ATOM 249 C CA . ALA 34 34 ? A 2.036 3.433 -19.890 1.000 1 A 89.769 1 ATOM 250 C C . ALA 34 34 ? A 3.464 3.878 -20.190 1.000 1 A 89.769 1 ATOM 251 O O . ALA 34 34 ? A 4.174 3.229 -20.961 1.000 1 A 89.769 1 ATOM 252 C CB . ALA 34 34 ? A 1.047 4.201 -20.763 1.000 1 A 89.769 1 ATOM 253 N N . ALA 35 35 ? A 3.876 4.948 -19.579 1.000 1 A 87.491 1 ATOM 254 C CA . ALA 35 35 ? A 5.226 5.468 -19.781 1.000 1 A 87.491 1 ATOM 255 C C . ALA 35 35 ? A 6.271 4.528 -19.187 1.000 1 A 87.491 1 ATOM 256 O O . ALA 35 35 ? A 7.370 4.389 -19.730 1.000 1 A 87.491 1 ATOM 257 C CB . ALA 35 35 ? A 5.357 6.860 -19.167 1.000 1 A 87.491 1 ATOM 258 N N . SER 36 36 ? A 5.903 3.919 -18.010 1.000 1 A 82.428 1 ATOM 259 C CA . SER 36 36 ? A 6.819 3.000 -17.342 1.000 1 A 82.428 1 ATOM 260 C C . SER 36 36 ? A 7.019 1.728 -18.159 1.000 1 A 82.428 1 ATOM 261 O O . SER 36 36 ? A 8.086 1.112 -18.108 1.000 1 A 82.428 1 ATOM 262 C CB . SER 36 36 ? A 6.300 2.644 -15.949 1.000 1 A 82.428 1 ATOM 263 O OG . SER 36 36 ? A 6.194 3.804 -15.140 1.000 1 A 82.428 1 ATOM 264 N N . ALA 37 37 ? A 6.059 1.362 -18.945 1.000 1 A 76.283 1 ATOM 265 C CA . ALA 37 37 ? A 6.155 0.173 -19.788 1.000 1 A 76.283 1 ATOM 266 C C . ALA 37 37 ? A 7.007 0.445 -21.025 1.000 1 A 76.283 1 ATOM 267 O O . ALA 37 37 ? A 7.671 -0.458 -21.539 1.000 1 A 76.283 1 ATOM 268 C CB . ALA 37 37 ? A 4.763 -0.301 -20.199 1.000 1 A 76.283 1 ATOM 269 N N . ALA 38 38 ? A 7.098 1.735 -21.508 1.000 1 A 68.721 1 ATOM 270 C CA . ALA 38 38 ? A 7.811 2.104 -22.728 1.000 1 A 68.721 1 ATOM 271 C C . ALA 38 38 ? A 9.311 2.224 -22.471 1.000 1 A 68.721 1 ATOM 272 O O . ALA 38 38 ? A 10.122 1.960 -23.361 1.000 1 A 68.721 1 ATOM 273 C CB . ALA 38 38 ? A 7.264 3.415 -23.289 1.000 1 A 68.721 1 ATOM 274 N N . HIS 39 39 ? A 9.692 2.623 -21.259 1.000 1 A 58.433 1 ATOM 275 C CA . HIS 39 39 ? A 11.101 2.833 -20.947 1.000 1 A 58.433 1 ATOM 276 C C . HIS 39 39 ? A 11.846 1.507 -20.842 1.000 1 A 58.433 1 ATOM 277 O O . HIS 39 39 ? A 13.051 1.444 -21.097 1.000 1 A 58.433 1 ATOM 278 C CB . HIS 39 39 ? A 11.250 3.624 -19.646 1.000 1 A 58.433 1 ATOM 279 C CG . HIS 39 39 ? A 11.268 5.106 -19.844 1.000 1 A 58.433 1 ATOM 280 N ND1 . HIS 39 39 ? A 12.342 5.770 -20.397 1.000 1 A 58.433 1 ATOM 281 C CD2 . HIS 39 39 ? A 10.341 6.052 -19.564 1.000 1 A 58.433 1 ATOM 282 C CE1 . HIS 39 39 ? A 12.073 7.064 -20.448 1.000 1 A 58.433 1 ATOM 283 N NE2 . HIS 39 39 ? A 10.865 7.262 -19.948 1.000 1 A 58.433 1 ATOM 284 N N . HIS 40 40 ? A 11.148 0.364 -20.934 1.000 1 A 53.389 1 ATOM 285 C CA . HIS 40 40 ? A 11.914 -0.872 -20.832 1.000 1 A 53.389 1 ATOM 286 C C . HIS 40 40 ? A 12.037 -1.558 -22.189 1.000 1 A 53.389 1 ATOM 287 O O . HIS 40 40 ? A 12.793 -2.520 -22.336 1.000 1 A 53.389 1 ATOM 288 C CB . HIS 40 40 ? A 11.269 -1.821 -19.820 1.000 1 A 53.389 1 ATOM 289 C CG . HIS 40 40 ? A 11.603 -1.500 -18.398 1.000 1 A 53.389 1 ATOM 290 N ND1 . HIS 40 40 ? A 12.839 -1.762 -17.847 1.000 1 A 53.389 1 ATOM 291 C CD2 . HIS 40 40 ? A 10.862 -0.935 -17.417 1.000 1 A 53.389 1 ATOM 292 C CE1 . HIS 40 40 ? A 12.842 -1.372 -16.584 1.000 1 A 53.389 1 ATOM 293 N NE2 . HIS 40 40 ? A 11.654 -0.867 -16.297 1.000 1 A 53.389 1 ATOM 294 N N . HIS 41 41 ? A 11.447 -0.961 -23.268 1.000 1 A 46.946 1 ATOM 295 C CA . HIS 41 41 ? A 11.681 -1.554 -24.580 1.000 1 A 46.946 1 ATOM 296 C C . HIS 41 41 ? A 12.907 -0.944 -25.250 1.000 1 A 46.946 1 ATOM 297 O O . HIS 41 41 ? A 13.392 -1.464 -26.258 1.000 1 A 46.946 1 ATOM 298 C CB . HIS 41 41 ? A 10.452 -1.380 -25.473 1.000 1 A 46.946 1 ATOM 299 C CG . HIS 41 41 ? A 9.440 -2.470 -25.322 1.000 1 A 46.946 1 ATOM 300 N ND1 . HIS 41 41 ? A 9.602 -3.719 -25.883 1.000 1 A 46.946 1 ATOM 301 C CD2 . HIS 41 41 ? A 8.254 -2.499 -24.669 1.000 1 A 46.946 1 ATOM 302 C CE1 . HIS 41 41 ? A 8.555 -4.469 -25.582 1.000 1 A 46.946 1 ATOM 303 N NE2 . HIS 41 41 ? A 7.723 -3.753 -24.846 1.000 1 A 46.946 1 ATOM 304 N N . HIS 42 42 ? A 13.710 -0.149 -24.559 1.000 1 A 39.060 1 ATOM 305 C CA . HIS 42 42 ? A 14.902 0.318 -25.257 1.000 1 A 39.060 1 ATOM 306 C C . HIS 42 42 ? A 16.159 -0.348 -24.707 1.000 1 A 39.060 1 ATOM 307 O O . HIS 42 42 ? A 17.270 -0.049 -25.151 1.000 1 A 39.060 1 ATOM 308 C CB . HIS 42 42 ? A 15.024 1.839 -25.148 1.000 1 A 39.060 1 ATOM 309 C CG . HIS 42 42 ? A 14.964 2.542 -26.467 1.000 1 A 39.060 1 ATOM 310 N ND1 . HIS 42 42 ? A 16.002 2.513 -27.373 1.000 1 A 39.060 1 ATOM 311 C CD2 . HIS 42 42 ? A 13.988 3.290 -27.032 1.000 1 A 39.060 1 ATOM 312 C CE1 . HIS 42 42 ? A 15.666 3.216 -28.442 1.000 1 A 39.060 1 ATOM 313 N NE2 . HIS 42 42 ? A 14.448 3.698 -28.260 1.000 1 A 39.060 1 ATOM 314 N N . LEU 43 43 ? A 16.052 -1.552 -24.054 1.000 1 A 34.809 1 ATOM 315 C CA . LEU 43 43 ? A 17.325 -2.217 -23.799 1.000 1 A 34.809 1 ATOM 316 C C . LEU 43 43 ? A 17.543 -3.367 -24.776 1.000 1 A 34.809 1 ATOM 317 O O . LEU 43 43 ? A 18.524 -4.106 -24.664 1.000 1 A 34.809 1 ATOM 318 C CB . LEU 43 43 ? A 17.379 -2.738 -22.360 1.000 1 A 34.809 1 ATOM 319 C CG . LEU 43 43 ? A 17.575 -1.687 -21.266 1.000 1 A 34.809 1 ATOM 320 C CD1 . LEU 43 43 ? A 17.077 -2.219 -19.926 1.000 1 A 34.809 1 ATOM 321 C CD2 . LEU 43 43 ? A 19.041 -1.278 -21.173 1.000 1 A 34.809 1 ATOM 322 N N . ALA 44 44 ? A 17.211 -3.209 -26.043 1.000 1 A 31.915 1 ATOM 323 C CA . ALA 44 44 ? A 17.999 -4.002 -26.982 1.000 1 A 31.915 1 ATOM 324 C C . ALA 44 44 ? A 18.736 -3.107 -27.974 1.000 1 A 31.915 1 ATOM 325 O O . ALA 44 44 ? A 18.139 -2.207 -28.570 1.000 1 A 31.915 1 ATOM 326 C CB . ALA 44 44 ? A 17.103 -4.990 -27.726 1.000 1 A 31.915 1 ATOM 327 N N . PRO 45 45 ? A 20.006 -2.676 -27.681 1.000 1 A 37.664 1 ATOM 328 C CA . PRO 45 45 ? A 20.688 -1.984 -28.777 1.000 1 A 37.664 1 ATOM 329 C C . PRO 45 45 ? A 20.559 -2.718 -30.109 1.000 1 A 37.664 1 ATOM 330 O O . PRO 45 45 ? A 20.661 -3.947 -30.154 1.000 1 A 37.664 1 ATOM 331 C CB . PRO 45 45 ? A 22.146 -1.943 -28.315 1.000 1 A 37.664 1 ATOM 332 C CG . PRO 45 45 ? A 22.248 -3.012 -27.275 1.000 1 A 37.664 1 ATOM 333 C CD . PRO 45 45 ? A 20.886 -3.611 -27.073 1.000 1 A 37.664 1 ATOM 334 N N . ARG 46 46 ? A 19.522 -2.561 -30.880 1.000 1 A 30.488 1 ATOM 335 C CA . ARG 46 46 ? A 19.510 -2.895 -32.300 1.000 1 A 30.488 1 ATOM 336 C C . ARG 46 46 ? A 20.802 -2.451 -32.978 1.000 1 A 30.488 1 ATOM 337 O O . ARG 46 46 ? A 21.159 -1.271 -32.933 1.000 1 A 30.488 1 ATOM 338 C CB . ARG 46 46 ? A 18.307 -2.254 -32.994 1.000 1 A 30.488 1 ATOM 339 C CG . ARG 46 46 ? A 16.970 -2.857 -32.592 1.000 1 A 30.488 1 ATOM 340 C CD . ARG 46 46 ? A 16.051 -3.043 -33.791 1.000 1 A 30.488 1 ATOM 341 N NE . ARG 46 46 ? A 15.138 -4.166 -33.602 1.000 1 A 30.488 1 ATOM 342 C CZ . ARG 46 46 ? A 13.953 -4.288 -34.193 1.000 1 A 30.488 1 ATOM 343 N NH1 . ARG 46 46 ? A 13.513 -3.354 -35.028 1.000 1 A 30.488 1 ATOM 344 N NH2 . ARG 46 46 ? A 13.203 -5.353 -33.949 1.000 1 A 30.488 1 ATOM 345 N N . THR 47 47 ? A 21.982 -2.952 -32.664 1.000 1 A 31.276 1 ATOM 346 C CA . THR 47 47 ? A 23.076 -2.713 -33.599 1.000 1 A 31.276 1 ATOM 347 C C . THR 47 47 ? A 22.683 -3.138 -35.011 1.000 1 A 31.276 1 ATOM 348 O O . THR 47 47 ? A 22.067 -4.188 -35.200 1.000 1 A 31.276 1 ATOM 349 C CB . THR 47 47 ? A 24.351 -3.462 -33.170 1.000 1 A 31.276 1 ATOM 350 O OG1 . THR 47 47 ? A 23.992 -4.754 -32.665 1.000 1 A 31.276 1 ATOM 351 C CG2 . THR 47 47 ? A 25.102 -2.696 -32.086 1.000 1 A 31.276 1 ATOM 352 N N . PRO 48 48 ? A 22.591 -2.195 -35.976 1.000 1 A 34.992 1 ATOM 353 C CA . PRO 48 48 ? A 22.412 -2.474 -37.402 1.000 1 A 34.992 1 ATOM 354 C C . PRO 48 48 ? A 23.521 -3.352 -37.975 1.000 1 A 34.992 1 ATOM 355 O O . PRO 48 48 ? A 24.674 -3.255 -37.547 1.000 1 A 34.992 1 ATOM 356 C CB . PRO 48 48 ? A 22.433 -1.082 -38.039 1.000 1 A 34.992 1 ATOM 357 C CG . PRO 48 48 ? A 23.150 -0.220 -37.051 1.000 1 A 34.992 1 ATOM 358 C CD . PRO 48 48 ? A 23.448 -1.042 -35.830 1.000 1 A 34.992 1 ATOM 359 N N . GLU 49 49 ? A 23.367 -4.686 -38.058 1.000 1 A 27.364 1 ATOM 360 C CA . GLU 49 49 ? A 23.707 -5.627 -39.121 1.000 1 A 27.364 1 ATOM 361 C C . GLU 49 49 ? A 24.718 -5.022 -40.090 1.000 1 A 27.364 1 ATOM 362 O O . GLU 49 49 ? A 24.433 -4.018 -40.747 1.000 1 A 27.364 1 ATOM 363 C CB . GLU 49 49 ? A 22.449 -6.062 -39.876 1.000 1 A 27.364 1 ATOM 364 C CG . GLU 49 49 ? A 21.828 -7.347 -39.348 1.000 1 A 27.364 1 ATOM 365 C CD . GLU 49 49 ? A 21.730 -8.442 -40.398 1.000 1 A 27.364 1 ATOM 366 O OE1 . GLU 49 49 ? A 22.040 -9.614 -40.083 1.000 1 A 27.364 1 ATOM 367 O OE2 . GLU 49 49 ? A 21.340 -8.126 -41.544 1.000 1 A 27.364 1 ATOM 368 N N . VAL 50 50 ? A 25.954 -4.838 -39.703 1.000 1 A 32.471 1 ATOM 369 C CA . VAL 50 50 ? A 27.046 -4.822 -40.671 1.000 1 A 32.471 1 ATOM 370 C C . VAL 50 50 ? A 27.685 -6.207 -40.753 1.000 1 A 32.471 1 ATOM 371 O O . VAL 50 50 ? A 28.037 -6.796 -39.728 1.000 1 A 32.471 1 ATOM 372 C CB . VAL 50 50 ? A 28.112 -3.764 -40.308 1.000 1 A 32.471 1 ATOM 373 C CG1 . VAL 50 50 ? A 29.274 -3.805 -41.299 1.000 1 A 32.471 1 ATOM 374 C CG2 . VAL 50 50 ? A 27.488 -2.370 -40.269 1.000 1 A 32.471 1 ATOM 375 N N . ARG 51 51 ? A 27.203 -7.174 -41.555 1.000 1 A 26.869 1 ATOM 376 C CA . ARG 51 51 ? A 27.805 -8.043 -42.561 1.000 1 A 26.869 1 ATOM 377 C C . ARG 51 51 ? A 29.267 -7.678 -42.796 1.000 1 A 26.869 1 ATOM 378 O O . ARG 51 51 ? A 29.581 -6.532 -43.125 1.000 1 A 26.869 1 ATOM 379 C CB . ARG 51 51 ? A 27.027 -7.963 -43.876 1.000 1 A 26.869 1 ATOM 380 C CG . ARG 51 51 ? A 26.329 -9.258 -44.259 1.000 1 A 26.869 1 ATOM 381 C CD . ARG 51 51 ? A 25.559 -9.120 -45.565 1.000 1 A 26.869 1 ATOM 382 N NE . ARG 51 51 ? A 24.889 -10.364 -45.930 1.000 1 A 26.869 1 ATOM 383 C CZ . ARG 51 51 ? A 23.753 -10.440 -46.619 1.000 1 A 26.869 1 ATOM 384 N NH1 . ARG 51 51 ? A 23.137 -9.339 -47.033 1.000 1 A 26.869 1 ATOM 385 N NH2 . ARG 51 51 ? A 23.230 -11.625 -46.897 1.000 1 A 26.869 1 ATOM 386 N N . ALA 52 52 ? A 30.162 -8.258 -42.004 1.000 1 A 30.346 1 ATOM 387 C CA . ALA 52 52 ? A 31.491 -8.511 -42.553 1.000 1 A 30.346 1 ATOM 388 C C . ALA 52 52 ? A 32.134 -9.729 -41.894 1.000 1 A 30.346 1 ATOM 389 O O . ALA 52 52 ? A 32.136 -9.849 -40.667 1.000 1 A 30.346 1 ATOM 390 C CB . ALA 52 52 ? A 32.382 -7.284 -42.379 1.000 1 A 30.346 1 ATOM 391 N N . ALA 53 53 ? A 32.040 -10.961 -42.358 1.000 1 A 27.326 1 ATOM 392 C CA . ALA 53 53 ? A 33.013 -11.885 -42.935 1.000 1 A 27.326 1 ATOM 393 C C . ALA 53 53 ? A 34.414 -11.616 -42.391 1.000 1 A 27.326 1 ATOM 394 O O . ALA 53 53 ? A 34.882 -10.475 -42.400 1.000 1 A 27.326 1 ATOM 395 C CB . ALA 53 53 ? A 33.008 -11.780 -44.458 1.000 1 A 27.326 1 ATOM 396 N N . ALA 54 54 ? A 34.926 -12.463 -41.394 1.000 1 A 31.246 1 ATOM 397 C CA . ALA 54 54 ? A 36.302 -12.952 -41.414 1.000 1 A 31.246 1 ATOM 398 C C . ALA 54 54 ? A 36.591 -13.826 -40.196 1.000 1 A 31.246 1 ATOM 399 O O . ALA 54 54 ? A 36.270 -13.452 -39.066 1.000 1 A 31.246 1 ATOM 400 C CB . ALA 54 54 ? A 37.281 -11.783 -41.470 1.000 1 A 31.246 1 ATOM 401 N N . ALA 55 55 ? A 36.538 -15.168 -40.162 1.000 1 A 26.911 1 ATOM 402 C CA . ALA 55 55 ? A 37.629 -16.139 -40.176 1.000 1 A 26.911 1 ATOM 403 C C . ALA 55 55 ? A 38.671 -15.810 -39.111 1.000 1 A 26.911 1 ATOM 404 O O . ALA 55 55 ? A 39.155 -14.678 -39.036 1.000 1 A 26.911 1 ATOM 405 C CB . ALA 55 55 ? A 38.281 -16.188 -41.556 1.000 1 A 26.911 1 ATOM 406 N N . GLY 56 56 ? A 38.720 -16.607 -37.986 1.000 1 A 28.471 1 ATOM 407 C CA . GLY 56 56 ? A 39.987 -17.156 -37.531 1.000 1 A 28.471 1 ATOM 408 C C . GLY 56 56 ? A 40.030 -17.394 -36.033 1.000 1 A 28.471 1 ATOM 409 O O . GLY 56 56 ? A 39.587 -16.550 -35.252 1.000 1 A 28.471 1 ATOM 410 N N . ALA 57 57 ? A 39.936 -18.632 -35.561 1.000 1 A 26.510 1 ATOM 411 C CA . ALA 57 57 ? A 41.024 -19.491 -35.100 1.000 1 A 26.510 1 ATOM 412 C C . ALA 57 57 ? A 41.494 -19.081 -33.707 1.000 1 A 26.510 1 ATOM 413 O O . ALA 57 57 ? A 41.744 -17.900 -33.452 1.000 1 A 26.510 1 ATOM 414 C CB . ALA 57 57 ? A 42.189 -19.449 -36.085 1.000 1 A 26.510 1 ATOM 415 N N . LEU 58 58 ? A 41.304 -20.011 -32.683 1.000 1 A 26.643 1 ATOM 416 C CA . LEU 58 58 ? A 42.399 -20.609 -31.927 1.000 1 A 26.643 1 ATOM 417 C C . LEU 58 58 ? A 42.151 -20.492 -30.427 1.000 1 A 26.643 1 ATOM 418 O O . LEU 58 58 ? A 41.905 -19.397 -29.917 1.000 1 A 26.643 1 ATOM 419 C CB . LEU 58 58 ? A 43.729 -19.941 -32.290 1.000 1 A 26.643 1 ATOM 420 C CG . LEU 58 58 ? A 44.509 -20.567 -33.447 1.000 1 A 26.643 1 ATOM 421 C CD1 . LEU 58 58 ? A 45.361 -19.512 -34.144 1.000 1 A 26.643 1 ATOM 422 C CD2 . LEU 58 58 ? A 45.376 -21.718 -32.947 1.000 1 A 26.643 1 ATOM 423 N N . GLY 59 59 ? A 41.892 -21.651 -29.750 1.000 1 A 23.900 1 ATOM 424 C CA . GLY 59 59 ? A 42.900 -22.380 -28.997 1.000 1 A 23.900 1 ATOM 425 C C . GLY 59 59 ? A 42.839 -22.114 -27.505 1.000 1 A 23.900 1 ATOM 426 O O . GLY 59 59 ? A 42.630 -20.976 -27.080 1.000 1 A 23.900 1 ATOM 427 N N . ASN 60 60 ? A 42.542 -23.181 -26.706 1.000 1 A 26.188 1 ATOM 428 C CA . ASN 60 60 ? A 43.498 -23.918 -25.887 1.000 1 A 26.188 1 ATOM 429 C C . ASN 60 60 ? A 43.055 -23.980 -24.428 1.000 1 A 26.188 1 ATOM 430 O O . ASN 60 60 ? A 42.684 -22.961 -23.843 1.000 1 A 26.188 1 ATOM 431 C CB . ASN 60 60 ? A 44.890 -23.292 -25.993 1.000 1 A 26.188 1 ATOM 432 C CG . ASN 60 60 ? A 45.865 -24.163 -26.761 1.000 1 A 26.188 1 ATOM 433 O OD1 . ASN 60 60 ? A 45.466 -24.951 -27.622 1.000 1 A 26.188 1 ATOM 434 N ND2 . ASN 60 60 ? A 47.150 -24.026 -26.456 1.000 1 A 26.188 1 ATOM 435 N N . HIS 61 61 ? A 42.801 -25.239 -23.908 1.000 1 A 26.257 1 ATOM 436 C CA . HIS 61 61 ? A 43.639 -26.174 -23.166 1.000 1 A 26.257 1 ATOM 437 C C . HIS 61 61 ? A 43.396 -26.060 -21.665 1.000 1 A 26.257 1 ATOM 438 O O . HIS 61 61 ? A 43.389 -24.957 -21.115 1.000 1 A 26.257 1 ATOM 439 C CB . HIS 61 61 ? A 45.117 -25.934 -23.480 1.000 1 A 26.257 1 ATOM 440 C CG . HIS 61 61 ? A 45.837 -27.157 -23.951 1.000 1 A 26.257 1 ATOM 441 N ND1 . HIS 61 61 ? A 46.377 -28.083 -23.084 1.000 1 A 26.257 1 ATOM 442 C CD2 . HIS 61 61 ? A 46.102 -27.607 -25.200 1.000 1 A 26.257 1 ATOM 443 C CE1 . HIS 61 61 ? A 46.946 -29.051 -23.783 1.000 1 A 26.257 1 ATOM 444 N NE2 . HIS 61 61 ? A 46.793 -28.786 -25.069 1.000 1 A 26.257 1 ATOM 445 N N . VAL 62 62 ? A 42.895 -27.139 -21.005 1.000 1 A 23.789 1 ATOM 446 C CA . VAL 62 62 ? A 43.190 -28.294 -20.165 1.000 1 A 23.789 1 ATOM 447 C C . VAL 62 62 ? A 44.139 -27.887 -19.040 1.000 1 A 23.789 1 ATOM 448 O O . VAL 62 62 ? A 45.186 -27.285 -19.291 1.000 1 A 23.789 1 ATOM 449 C CB . VAL 62 62 ? A 43.801 -29.452 -20.986 1.000 1 A 23.789 1 ATOM 450 C CG1 . VAL 62 62 ? A 44.313 -30.557 -20.063 1.000 1 A 23.789 1 ATOM 451 C CG2 . VAL 62 62 ? A 42.775 -30.007 -21.971 1.000 1 A 23.789 1 ATOM 452 N N . VAL 63 63 ? A 43.659 -27.968 -17.742 1.000 1 A 29.008 1 ATOM 453 C CA . VAL 63 63 ? A 44.441 -28.374 -16.579 1.000 1 A 29.008 1 ATOM 454 C C . VAL 63 63 ? A 43.570 -29.199 -15.633 1.000 1 A 29.008 1 ATOM 455 O O . VAL 63 63 ? A 42.457 -28.793 -15.291 1.000 1 A 29.008 1 ATOM 456 C CB . VAL 63 63 ? A 45.026 -27.152 -15.835 1.000 1 A 29.008 1 ATOM 457 C CG1 . VAL 63 63 ? A 45.337 -27.503 -14.381 1.000 1 A 29.008 1 ATOM 458 C CG2 . VAL 63 63 ? A 46.280 -26.646 -16.545 1.000 1 A 29.008 1 ATOM 459 N N . SER 64 64 ? A 43.614 -30.579 -15.665 1.000 1 A 22.598 1 ATOM 460 C CA . SER 64 64 ? A 43.965 -31.789 -14.929 1.000 1 A 22.598 1 ATOM 461 C C . SER 64 64 ? A 44.789 -31.462 -13.688 1.000 1 A 22.598 1 ATOM 462 O O . SER 64 64 ? A 45.752 -30.696 -13.760 1.000 1 A 22.598 1 ATOM 463 C CB . SER 64 64 ? A 44.740 -32.756 -15.826 1.000 1 A 22.598 1 ATOM 464 O OG . SER 64 64 ? A 45.582 -32.048 -16.719 1.000 1 A 22.598 1 ATOM 465 N N . GLY 65 65 ? A 44.150 -31.648 -12.461 1.000 1 A 27.483 1 ATOM 466 C CA . GLY 65 65 ? A 44.865 -32.194 -11.318 1.000 1 A 27.483 1 ATOM 467 C C . GLY 65 65 ? A 43.950 -32.589 -10.174 1.000 1 A 27.483 1 ATOM 468 O O . GLY 65 65 ? A 43.009 -31.863 -9.847 1.000 1 A 27.483 1 ATOM 469 N N . SER 66 66 ? A 43.605 -33.879 -9.970 1.000 1 A 24.949 1 ATOM 470 C CA . SER 66 66 ? A 43.686 -34.884 -8.916 1.000 1 A 24.949 1 ATOM 471 C C . SER 66 66 ? A 44.756 -34.525 -7.890 1.000 1 A 24.949 1 ATOM 472 O O . SER 66 66 ? A 45.840 -34.062 -8.252 1.000 1 A 24.949 1 ATOM 473 C CB . SER 66 66 ? A 43.982 -36.262 -9.511 1.000 1 A 24.949 1 ATOM 474 O OG . SER 66 66 ? A 42.852 -37.111 -9.399 1.000 1 A 24.949 1 ATOM 475 N N . PRO 67 67 ? A 44.403 -34.903 -6.551 1.000 1 A 33.012 1 ATOM 476 C CA . PRO 67 67 ? A 44.760 -36.070 -5.742 1.000 1 A 33.012 1 ATOM 477 C C . PRO 67 67 ? A 43.789 -36.307 -4.587 1.000 1 A 33.012 1 ATOM 478 O O . PRO 67 67 ? A 42.984 -35.431 -4.263 1.000 1 A 33.012 1 ATOM 479 C CB . PRO 67 67 ? A 46.156 -35.724 -5.219 1.000 1 A 33.012 1 ATOM 480 C CG . PRO 67 67 ? A 46.128 -34.244 -5.007 1.000 1 A 33.012 1 ATOM 481 C CD . PRO 67 67 ? A 44.819 -33.714 -5.518 1.000 1 A 33.012 1 ATOM 482 N N . ALA 68 68 ? A 43.320 -37.553 -4.371 1.000 1 A 25.754 1 ATOM 483 C CA . ALA 68 68 ? A 43.679 -38.692 -3.530 1.000 1 A 25.754 1 ATOM 484 C C . ALA 68 68 ? A 43.846 -38.267 -2.073 1.000 1 A 25.754 1 ATOM 485 O O . ALA 68 68 ? A 44.549 -37.298 -1.780 1.000 1 A 25.754 1 ATOM 486 C CB . ALA 68 68 ? A 44.961 -39.346 -4.040 1.000 1 A 25.754 1 ATOM 487 N N . GLY 69 69 ? A 42.841 -38.680 -1.175 1.000 1 A 27.242 1 ATOM 488 C CA . GLY 69 69 ? A 43.201 -39.346 0.066 1.000 1 A 27.242 1 ATOM 489 C C . GLY 69 69 ? A 42.169 -39.163 1.163 1.000 1 A 27.242 1 ATOM 490 O O . GLY 69 69 ? A 41.634 -38.067 1.342 1.000 1 A 27.242 1 ATOM 491 N N . ALA 70 70 ? A 41.404 -40.203 1.535 1.000 1 A 27.911 1 ATOM 492 C CA . ALA 70 70 ? A 41.563 -41.108 2.671 1.000 1 A 27.911 1 ATOM 493 C C . ALA 70 70 ? A 40.755 -40.626 3.872 1.000 1 A 27.911 1 ATOM 494 O O . ALA 70 70 ? A 40.818 -39.450 4.240 1.000 1 A 27.911 1 ATOM 495 C CB . ALA 70 70 ? A 43.037 -41.240 3.044 1.000 1 A 27.911 1 ATOM 496 N N . ALA 71 71 ? A 39.701 -41.393 4.278 1.000 1 A 27.474 1 ATOM 497 C CA . ALA 71 71 ? A 39.645 -42.167 5.515 1.000 1 A 27.474 1 ATOM 498 C C . ALA 71 71 ? A 38.584 -41.612 6.462 1.000 1 A 27.474 1 ATOM 499 O O . ALA 71 71 ? A 38.536 -40.405 6.712 1.000 1 A 27.474 1 ATOM 500 C CB . ALA 71 71 ? A 41.010 -42.179 6.199 1.000 1 A 27.474 1 ATOM 501 N N . GLY 72 72 ? A 37.456 -42.340 6.637 1.000 1 A 25.047 1 ATOM 502 C CA . GLY 72 72 ? A 37.149 -43.013 7.889 1.000 1 A 25.047 1 ATOM 503 C C . GLY 72 72 ? A 35.908 -42.468 8.570 1.000 1 A 25.047 1 ATOM 504 O O . GLY 72 72 ? A 35.697 -41.254 8.609 1.000 1 A 25.047 1 ATOM 505 N N . ALA 73 73 ? A 34.836 -43.275 8.636 1.000 1 A 30.612 1 ATOM 506 C CA . ALA 73 73 ? A 34.290 -43.887 9.845 1.000 1 A 30.612 1 ATOM 507 C C . ALA 73 73 ? A 32.823 -43.513 10.035 1.000 1 A 30.612 1 ATOM 508 O O . ALA 73 73 ? A 32.471 -42.331 10.022 1.000 1 A 30.612 1 ATOM 509 C CB . ALA 73 73 ? A 35.105 -43.469 11.067 1.000 1 A 30.612 1 ATOM 510 N N . GLY 74 74 ? A 31.922 -44.357 9.609 1.000 1 A 23.660 1 ATOM 511 C CA . GLY 74 74 ? A 30.842 -45.121 10.213 1.000 1 A 23.660 1 ATOM 512 C C . GLY 74 74 ? A 30.228 -44.436 11.419 1.000 1 A 23.660 1 ATOM 513 O O . GLY 74 74 ? A 30.911 -43.706 12.139 1.000 1 A 23.660 1 ATOM 514 N N . PRO 75 75 ? A 29.006 -44.966 11.911 1.000 1 A 40.895 1 ATOM 515 C CA . PRO 75 75 ? A 27.631 -45.393 11.642 1.000 1 A 40.895 1 ATOM 516 C C . PRO 75 75 ? A 26.619 -44.758 12.593 1.000 1 A 40.895 1 ATOM 517 O O . PRO 75 75 ? A 27.006 -44.124 13.578 1.000 1 A 40.895 1 ATOM 518 C CB . PRO 75 75 ? A 27.688 -46.910 11.838 1.000 1 A 40.895 1 ATOM 519 C CG . PRO 75 75 ? A 28.664 -47.115 12.951 1.000 1 A 40.895 1 ATOM 520 C CD . PRO 75 75 ? A 29.281 -45.789 13.295 1.000 1 A 40.895 1 ATOM 521 N N . ALA 76 76 ? A 25.398 -44.606 12.184 1.000 1 A 34.485 1 ATOM 522 C CA . ALA 76 76 ? A 24.260 -44.936 13.038 1.000 1 A 34.485 1 ATOM 523 C C . ALA 76 76 ? A 22.941 -44.733 12.297 1.000 1 A 34.485 1 ATOM 524 O O . ALA 76 76 ? A 22.726 -43.690 11.675 1.000 1 A 34.485 1 ATOM 525 C CB . ALA 76 76 ? A 24.287 -44.093 14.311 1.000 1 A 34.485 1 ATOM 526 N N . ALA 77 77 ? A 22.409 -45.764 11.641 1.000 1 A 26.512 1 ATOM 527 C CA . ALA 77 77 ? A 21.086 -46.382 11.601 1.000 1 A 26.512 1 ATOM 528 C C . ALA 77 77 ? A 20.283 -46.041 12.853 1.000 1 A 26.512 1 ATOM 529 O O . ALA 77 77 ? A 20.832 -45.992 13.957 1.000 1 A 26.512 1 ATOM 530 C CB . ALA 77 77 ? A 21.211 -47.896 11.449 1.000 1 A 26.512 1 ATOM 531 N N . PRO 78 78 ? A 18.894 -46.324 12.816 1.000 1 A 46.362 1 ATOM 532 C CA . PRO 78 78 ? A 17.632 -46.322 12.073 1.000 1 A 46.362 1 ATOM 533 C C . PRO 78 78 ? A 16.440 -45.910 12.935 1.000 1 A 46.362 1 ATOM 534 O O . PRO 78 78 ? A 16.583 -45.731 14.147 1.000 1 A 46.362 1 ATOM 535 C CB . PRO 78 78 ? A 17.494 -47.774 11.608 1.000 1 A 46.362 1 ATOM 536 C CG . PRO 78 78 ? A 18.068 -48.588 12.722 1.000 1 A 46.362 1 ATOM 537 C CD . PRO 78 78 ? A 18.664 -47.655 13.737 1.000 1 A 46.362 1 ATOM 538 N N . ALA 79 79 ? A 15.398 -45.336 12.422 1.000 1 A 33.654 1 ATOM 539 C CA . ALA 79 79 ? A 14.081 -45.734 12.912 1.000 1 A 33.654 1 ATOM 540 C C . ALA 79 79 ? A 12.989 -44.833 12.344 1.000 1 A 33.654 1 ATOM 541 O O . ALA 79 79 ? A 13.140 -43.609 12.310 1.000 1 A 33.654 1 ATOM 542 C CB . ALA 79 79 ? A 14.050 -45.704 14.438 1.000 1 A 33.654 1 ATOM 543 N N . GLU 80 80 ? A 12.136 -45.312 11.424 1.000 1 A 27.455 1 ATOM 544 C CA . GLU 80 80 ? A 10.753 -45.744 11.606 1.000 1 A 27.455 1 ATOM 545 C C . GLU 80 80 ? A 9.778 -44.604 11.326 1.000 1 A 27.455 1 ATOM 546 O O . GLU 80 80 ? A 9.934 -43.502 11.856 1.000 1 A 27.455 1 ATOM 547 C CB . GLU 80 80 ? A 10.540 -46.283 13.022 1.000 1 A 27.455 1 ATOM 548 C CG . GLU 80 80 ? A 10.388 -47.796 13.088 1.000 1 A 27.455 1 ATOM 549 C CD . GLU 80 80 ? A 9.869 -48.289 14.429 1.000 1 A 27.455 1 ATOM 550 O OE1 . GLU 80 80 ? A 8.861 -49.031 14.454 1.000 1 A 27.455 1 ATOM 551 O OE2 . GLU 80 80 ? A 10.475 -47.930 15.463 1.000 1 A 27.455 1 ATOM 552 N N . GLY 81 81 ? A 9.112 -44.568 10.158 1.000 1 A 30.802 1 ATOM 553 C CA . GLY 81 81 ? A 7.662 -44.515 10.252 1.000 1 A 30.802 1 ATOM 554 C C . GLY 81 81 ? A 6.997 -44.048 8.971 1.000 1 A 30.802 1 ATOM 555 O O . GLY 81 81 ? A 7.435 -43.072 8.358 1.000 1 A 30.802 1 ATOM 556 N N . ALA 82 82 ? A 6.759 -44.936 8.019 1.000 1 A 26.923 1 ATOM 557 C CA . ALA 82 82 ? A 5.535 -44.996 7.223 1.000 1 A 26.923 1 ATOM 558 C C . ALA 82 82 ? A 4.323 -45.288 8.102 1.000 1 A 26.923 1 ATOM 559 O O . ALA 82 82 ? A 4.399 -46.100 9.027 1.000 1 A 26.923 1 ATOM 560 C CB . ALA 82 82 ? A 5.663 -46.054 6.130 1.000 1 A 26.923 1 ATOM 561 N N . PRO 83 83 ? A 3.121 -44.798 7.802 1.000 1 A 38.749 1 ATOM 562 C CA . PRO 83 83 ? A 2.240 -44.798 6.632 1.000 1 A 38.749 1 ATOM 563 C C . PRO 83 83 ? A 1.101 -43.789 6.752 1.000 1 A 38.749 1 ATOM 564 O O . PRO 83 83 ? A 0.850 -43.260 7.838 1.000 1 A 38.749 1 ATOM 565 C CB . PRO 83 83 ? A 1.700 -46.230 6.598 1.000 1 A 38.749 1 ATOM 566 C CG . PRO 83 83 ? A 1.560 -46.620 8.034 1.000 1 A 38.749 1 ATOM 567 C CD . PRO 83 83 ? A 2.137 -45.525 8.884 1.000 1 A 38.749 1 ATOM 568 N N . GLY 84 84 ? A 0.855 -42.951 5.751 1.000 1 A 34.752 1 ATOM 569 C CA . GLY 84 84 ? A -0.561 -42.681 5.558 1.000 1 A 34.752 1 ATOM 570 C C . GLY 84 84 ? A -0.903 -42.279 4.136 1.000 1 A 34.752 1 ATOM 571 O O . GLY 84 84 ? A -0.207 -41.459 3.533 1.000 1 A 34.752 1 ATOM 572 N N . ALA 85 85 ? A -1.151 -43.215 3.201 1.000 1 A 28.248 1 ATOM 573 C CA . ALA 85 85 ? A -2.211 -43.517 2.242 1.000 1 A 28.248 1 ATOM 574 C C . ALA 85 85 ? A -3.523 -42.851 2.648 1.000 1 A 28.248 1 ATOM 575 O O . ALA 85 85 ? A -3.947 -42.954 3.802 1.000 1 A 28.248 1 ATOM 576 C CB . ALA 85 85 ? A -2.400 -45.026 2.115 1.000 1 A 28.248 1 ATOM 577 N N . ALA 86 86 ? A -3.958 -41.726 1.910 1.000 1 A 28.583 1 ATOM 578 C CA . ALA 86 86 ? A -5.254 -41.485 1.281 1.000 1 A 28.583 1 ATOM 579 C C . ALA 86 86 ? A -5.644 -40.013 1.375 1.000 1 A 28.583 1 ATOM 580 O O . ALA 86 86 ? A -5.442 -39.376 2.411 1.000 1 A 28.583 1 ATOM 581 C CB . ALA 86 86 ? A -6.328 -42.359 1.924 1.000 1 A 28.583 1 ATOM 582 N N . PRO 87 87 ? A -6.574 -39.480 0.415 1.000 1 A 43.386 1 ATOM 583 C CA . PRO 87 87 ? A -7.432 -40.096 -0.600 1.000 1 A 43.386 1 ATOM 584 C C . PRO 87 87 ? A -7.668 -39.187 -1.804 1.000 1 A 43.386 1 ATOM 585 O O . PRO 87 87 ? A -7.338 -37.999 -1.760 1.000 1 A 43.386 1 ATOM 586 C CB . PRO 87 87 ? A -8.739 -40.356 0.152 1.000 1 A 43.386 1 ATOM 587 C CG . PRO 87 87 ? A -8.862 -39.214 1.109 1.000 1 A 43.386 1 ATOM 588 C CD . PRO 87 87 ? A -7.606 -38.393 1.036 1.000 1 A 43.386 1 ATOM 589 N N . GLU 88 88 ? A -7.418 -39.672 -2.996 1.000 1 A 32.831 1 ATOM 590 C CA . GLU 88 88 ? A -8.056 -39.548 -4.303 1.000 1 A 32.831 1 ATOM 591 C C . GLU 88 88 ? A -9.458 -38.959 -4.180 1.000 1 A 32.831 1 ATOM 592 O O . GLU 88 88 ? A -10.211 -39.320 -3.273 1.000 1 A 32.831 1 ATOM 593 C CB . GLU 88 88 ? A -8.116 -40.908 -5.003 1.000 1 A 32.831 1 ATOM 594 C CG . GLU 88 88 ? A -7.169 -41.032 -6.188 1.000 1 A 32.831 1 ATOM 595 C CD . GLU 88 88 ? A -7.436 -42.260 -7.044 1.000 1 A 32.831 1 ATOM 596 O OE1 . GLU 88 88 ? A -7.470 -42.136 -8.289 1.000 1 A 32.831 1 ATOM 597 O OE2 . GLU 88 88 ? A -7.615 -43.354 -6.464 1.000 1 A 32.831 1 ATOM 598 N N . PRO 89 89 ? A -9.733 -37.937 -5.023 1.000 1 A 44.064 1 ATOM 599 C CA . PRO 89 89 ? A -11.031 -37.267 -5.138 1.000 1 A 44.064 1 ATOM 600 C C . PRO 89 89 ? A -12.048 -38.085 -5.931 1.000 1 A 44.064 1 ATOM 601 O O . PRO 89 89 ? A -11.668 -38.924 -6.750 1.000 1 A 44.064 1 ATOM 602 C CB . PRO 89 89 ? A -10.691 -35.964 -5.867 1.000 1 A 44.064 1 ATOM 603 C CG . PRO 89 89 ? A -9.403 -36.245 -6.571 1.000 1 A 44.064 1 ATOM 604 C CD . PRO 89 89 ? A -8.759 -37.440 -5.929 1.000 1 A 44.064 1 ATOM 605 N N . PRO 90 90 ? A -13.305 -38.169 -5.390 1.000 1 A 36.436 1 ATOM 606 C CA . PRO 90 90 ? A -14.432 -38.913 -5.957 1.000 1 A 36.436 1 ATOM 607 C C . PRO 90 90 ? A -14.846 -38.399 -7.334 1.000 1 A 36.436 1 ATOM 608 O O . PRO 90 90 ? A -14.545 -37.256 -7.686 1.000 1 A 36.436 1 ATOM 609 C CB . PRO 90 90 ? A -15.550 -38.694 -4.934 1.000 1 A 36.436 1 ATOM 610 C CG . PRO 90 90 ? A -15.256 -37.360 -4.327 1.000 1 A 36.436 1 ATOM 611 C CD . PRO 90 90 ? A -13.871 -36.946 -4.734 1.000 1 A 36.436 1 ATOM 612 N N . PRO 91 91 ? A -15.360 -39.259 -8.241 1.000 1 A 44.106 1 ATOM 613 C CA . PRO 91 91 ? A -15.935 -38.900 -9.539 1.000 1 A 44.106 1 ATOM 614 C C . PRO 91 91 ? A -17.455 -38.762 -9.494 1.000 1 A 44.106 1 ATOM 615 O O . PRO 91 91 ? A -18.102 -39.313 -8.600 1.000 1 A 44.106 1 ATOM 616 C CB . PRO 91 91 ? A -15.518 -40.064 -10.443 1.000 1 A 44.106 1 ATOM 617 C CG . PRO 91 91 ? A -15.546 -41.266 -9.554 1.000 1 A 44.106 1 ATOM 618 C CD . PRO 91 91 ? A -15.805 -40.812 -8.146 1.000 1 A 44.106 1 ATOM 619 N N . ALA 92 92 ? A -17.920 -37.527 -9.810 1.000 1 A 37.007 1 ATOM 620 C CA . ALA 92 92 ? A -19.368 -37.423 -9.968 1.000 1 A 37.007 1 ATOM 621 C C . ALA 92 92 ? A -19.732 -36.362 -11.003 1.000 1 A 37.007 1 ATOM 622 O O . ALA 92 92 ? A -19.189 -35.255 -10.983 1.000 1 A 37.007 1 ATOM 623 C CB . ALA 92 92 ? A -20.028 -37.103 -8.628 1.000 1 A 37.007 1 ATOM 624 N N . GLY 93 93 ? A -20.090 -36.704 -12.258 1.000 1 A 31.385 1 ATOM 625 C CA . GLY 93 93 ? A -21.464 -36.740 -12.732 1.000 1 A 31.385 1 ATOM 626 C C . GLY 93 93 ? A -21.731 -35.767 -13.865 1.000 1 A 31.385 1 ATOM 627 O O . GLY 93 93 ? A -21.266 -34.626 -13.833 1.000 1 A 31.385 1 ATOM 628 N N . ARG 94 94 ? A -21.725 -36.279 -15.078 1.000 1 A 29.083 1 ATOM 629 C CA . ARG 94 94 ? A -22.674 -36.337 -16.185 1.000 1 A 29.083 1 ATOM 630 C C . ARG 94 94 ? A -24.014 -35.725 -15.790 1.000 1 A 29.083 1 ATOM 631 O O . ARG 94 94 ? A -24.610 -36.119 -14.786 1.000 1 A 29.083 1 ATOM 632 C CB . ARG 94 94 ? A -22.873 -37.782 -16.647 1.000 1 A 29.083 1 ATOM 633 C CG . ARG 94 94 ? A -22.273 -38.081 -18.012 1.000 1 A 29.083 1 ATOM 634 C CD . ARG 94 94 ? A -22.427 -39.548 -18.387 1.000 1 A 29.083 1 ATOM 635 N NE . ARG 94 94 ? A -21.924 -39.817 -19.731 1.000 1 A 29.083 1 ATOM 636 C CZ . ARG 94 94 ? A -21.827 -41.026 -20.276 1.000 1 A 29.083 1 ATOM 637 N NH1 . ARG 94 94 ? A -22.199 -42.107 -19.600 1.000 1 A 29.083 1 ATOM 638 N NH2 . ARG 94 94 ? A -21.355 -41.156 -21.508 1.000 1 A 29.083 1 ATOM 639 N N . ALA 95 95 ? A -24.327 -34.522 -16.222 1.000 1 A 37.110 1 ATOM 640 C CA . ALA 95 95 ? A -25.657 -34.006 -16.534 1.000 1 A 37.110 1 ATOM 641 C C . ALA 95 95 ? A -25.625 -33.121 -17.777 1.000 1 A 37.110 1 ATOM 642 O O . ALA 95 95 ? A -24.751 -32.262 -17.913 1.000 1 A 37.110 1 ATOM 643 C CB . ALA 95 95 ? A -26.218 -33.228 -15.346 1.000 1 A 37.110 1 ATOM 644 N N . ARG 96 96 ? A -25.944 -33.601 -19.000 1.000 1 A 33.941 1 ATOM 645 C CA . ARG 96 96 ? A -26.908 -33.492 -20.090 1.000 1 A 33.941 1 ATOM 646 C C . ARG 96 96 ? A -27.308 -32.040 -20.324 1.000 1 A 33.941 1 ATOM 647 O O . ARG 96 96 ? A -27.538 -31.292 -19.372 1.000 1 A 33.941 1 ATOM 648 C CB . ARG 96 96 ? A -28.150 -34.337 -19.796 1.000 1 A 33.941 1 ATOM 649 C CG . ARG 96 96 ? A -28.004 -35.801 -20.178 1.000 1 A 33.941 1 ATOM 650 C CD . ARG 96 96 ? A -29.355 -36.493 -20.290 1.000 1 A 33.941 1 ATOM 651 N NE . ARG 96 96 ? A -29.262 -37.740 -21.044 1.000 1 A 33.941 1 ATOM 652 C CZ . ARG 96 96 ? A -30.283 -38.333 -21.657 1.000 1 A 33.941 1 ATOM 653 N NH1 . ARG 96 96 ? A -31.500 -37.803 -21.616 1.000 1 A 33.941 1 ATOM 654 N NH2 . ARG 96 96 ? A -30.086 -39.466 -22.315 1.000 1 A 33.941 1 ATOM 655 N N . PRO 97 97 ? A -27.844 -31.719 -21.538 1.000 1 A 41.319 1 ATOM 656 C CA . PRO 97 97 ? A -27.787 -30.554 -22.423 1.000 1 A 41.319 1 ATOM 657 C C . PRO 97 97 ? A -29.119 -29.813 -22.511 1.000 1 A 41.319 1 ATOM 658 O O . PRO 97 97 ? A -30.176 -30.406 -22.281 1.000 1 A 41.319 1 ATOM 659 C CB . PRO 97 97 ? A -27.409 -31.158 -23.778 1.000 1 A 41.319 1 ATOM 660 C CG . PRO 97 97 ? A -28.081 -32.493 -23.802 1.000 1 A 41.319 1 ATOM 661 C CD . PRO 97 97 ? A -28.728 -32.725 -22.466 1.000 1 A 41.319 1 ATOM 662 N N . GLY 98 98 ? A -29.086 -28.464 -22.305 1.000 1 A 33.088 1 ATOM 663 C CA . GLY 98 98 ? A -30.203 -27.596 -22.641 1.000 1 A 33.088 1 ATOM 664 C C . GLY 98 98 ? A -29.769 -26.233 -23.148 1.000 1 A 33.088 1 ATOM 665 O O . GLY 98 98 ? A -28.850 -25.624 -22.597 1.000 1 A 33.088 1 ATOM 666 N N . GLY 99 99 ? A -29.760 -26.004 -24.470 1.000 1 A 32.490 1 ATOM 667 C CA . GLY 99 99 ? A -30.592 -24.973 -25.071 1.000 1 A 32.490 1 ATOM 668 C C . GLY 99 99 ? A -29.842 -24.105 -26.064 1.000 1 A 32.490 1 ATOM 669 O O . GLY 99 99 ? A -28.748 -23.621 -25.770 1.000 1 A 32.490 1 ATOM 670 N N . GLY 100 100 ? A -29.870 -24.471 -27.336 1.000 1 A 27.062 1 ATOM 671 C CA . GLY 100 100 ? A -30.467 -23.903 -28.535 1.000 1 A 27.062 1 ATOM 672 C C . GLY 100 100 ? A -30.476 -22.386 -28.535 1.000 1 A 27.062 1 ATOM 673 O O . GLY 100 100 ? A -30.994 -21.763 -27.607 1.000 1 A 27.062 1 ATOM 674 N N . GLY 101 101 ? A -29.525 -21.802 -29.343 1.000 1 A 33.282 1 ATOM 675 C CA . GLY 101 101 ? A -29.797 -20.884 -30.437 1.000 1 A 33.282 1 ATOM 676 C C . GLY 101 101 ? A -28.611 -20.003 -30.785 1.000 1 A 33.282 1 ATOM 677 O O . GLY 101 101 ? A -27.791 -19.687 -29.920 1.000 1 A 33.282 1 ATOM 678 N N . PRO 102 102 ? A -28.550 -19.440 -32.029 1.000 1 A 39.747 1 ATOM 679 C CA . PRO 102 102 ? A -27.915 -19.605 -33.339 1.000 1 A 39.747 1 ATOM 680 C C . PRO 102 102 ? A -26.704 -18.694 -33.527 1.000 1 A 39.747 1 ATOM 681 O O . PRO 102 102 ? A -26.559 -17.699 -32.813 1.000 1 A 39.747 1 ATOM 682 C CB . PRO 102 102 ? A -29.031 -19.240 -34.321 1.000 1 A 39.747 1 ATOM 683 C CG . PRO 102 102 ? A -29.809 -18.165 -33.632 1.000 1 A 39.747 1 ATOM 684 C CD . PRO 102 102 ? A -29.263 -17.996 -32.243 1.000 1 A 39.747 1 ATOM 685 N N . GLN 103 103 ? A -25.665 -19.214 -34.065 1.000 1 A 28.326 1 ATOM 686 C CA . GLN 103 103 ? A -24.808 -19.113 -35.242 1.000 1 A 28.326 1 ATOM 687 C C . GLN 103 103 ? A -24.715 -17.671 -35.732 1.000 1 A 28.326 1 ATOM 688 O O . GLN 103 103 ? A -25.736 -17.031 -35.993 1.000 1 A 28.326 1 ATOM 689 C CB . GLN 103 103 ? A -25.326 -20.016 -36.363 1.000 1 A 28.326 1 ATOM 690 C CG . GLN 103 103 ? A -24.746 -21.424 -36.337 1.000 1 A 28.326 1 ATOM 691 C CD . GLN 103 103 ? A -25.155 -22.250 -37.541 1.000 1 A 28.326 1 ATOM 692 O OE1 . GLN 103 103 ? A -24.805 -21.927 -38.681 1.000 1 A 28.326 1 ATOM 693 N NE2 . GLN 103 103 ? A -25.902 -23.322 -37.299 1.000 1 A 28.326 1 ATOM 694 N N . ARG 104 104 ? A -23.525 -17.108 -35.503 1.000 1 A 42.242 1 ATOM 695 C CA . ARG 104 104 ? A -22.823 -16.270 -36.469 1.000 1 A 42.242 1 ATOM 696 C C . ARG 104 104 ? A -21.379 -16.728 -36.645 1.000 1 A 42.242 1 ATOM 697 O O . ARG 104 104 ? A -20.671 -16.958 -35.662 1.000 1 A 42.242 1 ATOM 698 C CB . ARG 104 104 ? A -22.857 -14.803 -36.033 1.000 1 A 42.242 1 ATOM 699 C CG . ARG 104 104 ? A -23.276 -13.843 -37.135 1.000 1 A 42.242 1 ATOM 700 C CD . ARG 104 104 ? A -23.288 -12.400 -36.651 1.000 1 A 42.242 1 ATOM 701 N NE . ARG 104 104 ? A -23.752 -11.486 -37.692 1.000 1 A 42.242 1 ATOM 702 C CZ . ARG 104 104 ? A -23.061 -10.446 -38.150 1.000 1 A 42.242 1 ATOM 703 N NH1 . ARG 104 104 ? A -21.856 -10.167 -37.666 1.000 1 A 42.242 1 ATOM 704 N NH2 . ARG 104 104 ? A -23.578 -9.680 -39.099 1.000 1 A 42.242 1 ATOM 705 N N . PRO 105 105 ? A -20.941 -17.100 -37.903 1.000 1 A 40.337 1 ATOM 706 C CA . PRO 105 105 ? A -19.647 -17.609 -38.361 1.000 1 A 40.337 1 ATOM 707 C C . PRO 105 105 ? A -18.654 -16.494 -38.682 1.000 1 A 40.337 1 ATOM 708 O O . PRO 105 105 ? A -19.028 -15.483 -39.282 1.000 1 A 40.337 1 ATOM 709 C CB . PRO 105 105 ? A -20.005 -18.400 -39.622 1.000 1 A 40.337 1 ATOM 710 C CG . PRO 105 105 ? A -21.248 -17.750 -40.140 1.000 1 A 40.337 1 ATOM 711 C CD . PRO 105 105 ? A -21.652 -16.664 -39.185 1.000 1 A 40.337 1 ATOM 712 N N . GLY 106 106 ? A -17.700 -16.222 -37.810 1.000 1 A 41.911 1 ATOM 713 C CA . GLY 106 106 ? A -16.554 -15.390 -38.140 1.000 1 A 41.911 1 ATOM 714 C C . GLY 106 106 ? A -15.343 -16.191 -38.581 1.000 1 A 41.911 1 ATOM 715 O O . GLY 106 106 ? A -15.248 -17.387 -38.300 1.000 1 A 41.911 1 ATOM 716 N N . PRO 107 107 ? A -14.561 -15.767 -39.577 1.000 1 A 41.856 1 ATOM 717 C CA . PRO 107 107 ? A -13.562 -16.356 -40.471 1.000 1 A 41.856 1 ATOM 718 C C . PRO 107 107 ? A -12.354 -16.912 -39.720 1.000 1 A 41.856 1 ATOM 719 O O . PRO 107 107 ? A -12.087 -16.507 -38.586 1.000 1 A 41.856 1 ATOM 720 C CB . PRO 107 107 ? A -13.155 -15.184 -41.367 1.000 1 A 41.856 1 ATOM 721 C CG . PRO 107 107 ? A -13.487 -13.962 -40.572 1.000 1 A 41.856 1 ATOM 722 C CD . PRO 107 107 ? A -14.276 -14.379 -39.365 1.000 1 A 41.856 1 ATOM 723 N N . PRO 108 108 ? A -11.748 -18.004 -40.273 1.000 1 A 42.146 1 ATOM 724 C CA . PRO 108 108 ? A -10.756 -18.991 -39.841 1.000 1 A 42.146 1 ATOM 725 C C . PRO 108 108 ? A -9.341 -18.420 -39.783 1.000 1 A 42.146 1 ATOM 726 O O . PRO 108 108 ? A -8.989 -17.552 -40.586 1.000 1 A 42.146 1 ATOM 727 C CB . PRO 108 108 ? A -10.860 -20.085 -40.907 1.000 1 A 42.146 1 ATOM 728 C CG . PRO 108 108 ? A -11.349 -19.381 -42.131 1.000 1 A 42.146 1 ATOM 729 C CD . PRO 108 108 ? A -11.807 -18.006 -41.739 1.000 1 A 42.146 1 ATOM 730 N N . SER 109 109 ? A -8.842 -18.092 -38.605 1.000 1 A 43.583 1 ATOM 731 C CA . SER 109 109 ? A -7.435 -17.836 -38.314 1.000 1 A 43.583 1 ATOM 732 C C . SER 109 109 ? A -6.574 -19.053 -38.636 1.000 1 A 43.583 1 ATOM 733 O O . SER 109 109 ? A -7.003 -20.192 -38.440 1.000 1 A 43.583 1 ATOM 734 C CB . SER 109 109 ? A -7.253 -17.446 -36.847 1.000 1 A 43.583 1 ATOM 735 O OG . SER 109 109 ? A -7.953 -16.248 -36.554 1.000 1 A 43.583 1 ATOM 736 N N . PRO 110 110 ? A -5.530 -18.922 -39.465 1.000 1 A 42.304 1 ATOM 737 C CA . PRO 110 110 ? A -4.558 -19.863 -40.027 1.000 1 A 42.304 1 ATOM 738 C C . PRO 110 110 ? A -3.740 -20.577 -38.954 1.000 1 A 42.304 1 ATOM 739 O O . PRO 110 110 ? A -3.435 -19.990 -37.913 1.000 1 A 42.304 1 ATOM 740 C CB . PRO 110 110 ? A -3.664 -18.973 -40.893 1.000 1 A 42.304 1 ATOM 741 C CG . PRO 110 110 ? A -3.819 -17.602 -40.319 1.000 1 A 42.304 1 ATOM 742 C CD . PRO 110 110 ? A -4.882 -17.646 -39.259 1.000 1 A 42.304 1 ATOM 743 N N . ARG 111 111 ? A -4.065 -21.848 -38.672 1.000 1 A 34.138 1 ATOM 744 C CA . ARG 111 111 ? A -3.450 -23.103 -38.252 1.000 1 A 34.138 1 ATOM 745 C C . ARG 111 111 ? A -1.931 -23.032 -38.359 1.000 1 A 34.138 1 ATOM 746 O O . ARG 111 111 ? A -1.393 -22.715 -39.422 1.000 1 A 34.138 1 ATOM 747 C CB . ARG 111 111 ? A -3.981 -24.269 -39.089 1.000 1 A 34.138 1 ATOM 748 C CG . ARG 111 111 ? A -5.413 -24.660 -38.763 1.000 1 A 34.138 1 ATOM 749 C CD . ARG 111 111 ? A -5.816 -25.955 -39.454 1.000 1 A 34.138 1 ATOM 750 N NE . ARG 111 111 ? A -7.160 -26.376 -39.070 1.000 1 A 34.138 1 ATOM 751 C CZ . ARG 111 111 ? A -7.490 -27.608 -38.692 1.000 1 A 34.138 1 ATOM 752 N NH1 . ARG 111 111 ? A -6.576 -28.569 -38.640 1.000 1 A 34.138 1 ATOM 753 N NH2 . ARG 111 111 ? A -8.745 -27.881 -38.364 1.000 1 A 34.138 1 ATOM 754 N N . ARG 112 112 ? A -1.226 -22.488 -37.388 1.000 1 A 41.446 1 ATOM 755 C CA . ARG 112 112 ? A 0.200 -22.730 -37.193 1.000 1 A 41.446 1 ATOM 756 C C . ARG 112 112 ? A 0.451 -24.150 -36.698 1.000 1 A 41.446 1 ATOM 757 O O . ARG 112 112 ? A -0.202 -24.610 -35.758 1.000 1 A 41.446 1 ATOM 758 C CB . ARG 112 112 ? A 0.787 -21.719 -36.206 1.000 1 A 41.446 1 ATOM 759 C CG . ARG 112 112 ? A 2.171 -21.219 -36.587 1.000 1 A 41.446 1 ATOM 760 C CD . ARG 112 112 ? A 2.677 -20.163 -35.613 1.000 1 A 41.446 1 ATOM 761 N NE . ARG 112 112 ? A 3.979 -19.639 -36.016 1.000 1 A 41.446 1 ATOM 762 C CZ . ARG 112 112 ? A 4.958 -19.315 -35.176 1.000 1 A 41.446 1 ATOM 763 N NH1 . ARG 112 112 ? A 4.802 -19.457 -33.865 1.000 1 A 41.446 1 ATOM 764 N NH2 . ARG 112 112 ? A 6.103 -18.846 -35.651 1.000 1 A 41.446 1 ATOM 765 N N . PRO 113 113 ? A 1.152 -24.995 -37.474 1.000 1 A 39.699 1 ATOM 766 C CA . PRO 113 113 ? A 1.539 -26.389 -37.246 1.000 1 A 39.699 1 ATOM 767 C C . PRO 113 113 ? A 2.450 -26.558 -36.032 1.000 1 A 39.699 1 ATOM 768 O O . PRO 113 113 ? A 3.298 -25.701 -35.769 1.000 1 A 39.699 1 ATOM 769 C CB . PRO 113 113 ? A 2.272 -26.767 -38.536 1.000 1 A 39.699 1 ATOM 770 C CG . PRO 113 113 ? A 2.286 -25.512 -39.348 1.000 1 A 39.699 1 ATOM 771 C CD . PRO 113 113 ? A 1.808 -24.380 -38.486 1.000 1 A 39.699 1 ATOM 772 N N . LEU 114 114 ? A 1.943 -27.199 -34.925 1.000 1 A 33.879 1 ATOM 773 C CA . LEU 114 114 ? A 2.384 -27.961 -33.761 1.000 1 A 33.879 1 ATOM 774 C C . LEU 114 114 ? A 3.713 -28.655 -34.037 1.000 1 A 33.879 1 ATOM 775 O O . LEU 114 114 ? A 3.837 -29.405 -35.008 1.000 1 A 33.879 1 ATOM 776 C CB . LEU 114 114 ? A 1.326 -28.995 -33.366 1.000 1 A 33.879 1 ATOM 777 C CG . LEU 114 114 ? A 0.127 -28.471 -32.574 1.000 1 A 33.879 1 ATOM 778 C CD1 . LEU 114 114 ? A -1.070 -29.399 -32.748 1.000 1 A 33.879 1 ATOM 779 C CD2 . LEU 114 114 ? A 0.484 -28.320 -31.099 1.000 1 A 33.879 1 ATOM 780 N N . VAL 115 115 ? A 4.890 -27.978 -33.946 1.000 1 A 42.857 1 ATOM 781 C CA . VAL 115 115 ? A 6.203 -28.604 -33.835 1.000 1 A 42.857 1 ATOM 782 C C . VAL 115 115 ? A 6.259 -29.469 -32.578 1.000 1 A 42.857 1 ATOM 783 O O . VAL 115 115 ? A 5.854 -29.031 -31.498 1.000 1 A 42.857 1 ATOM 784 C CB . VAL 115 115 ? A 7.334 -27.552 -33.809 1.000 1 A 42.857 1 ATOM 785 C CG1 . VAL 115 115 ? A 8.694 -28.224 -33.633 1.000 1 A 42.857 1 ATOM 786 C CG2 . VAL 115 115 ? A 7.310 -26.713 -35.086 1.000 1 A 42.857 1 ATOM 787 N N . PRO 116 116 ? A 6.315 -30.847 -32.678 1.000 1 A 44.012 1 ATOM 788 C CA . PRO 116 116 ? A 6.477 -31.855 -31.627 1.000 1 A 44.012 1 ATOM 789 C C . PRO 116 116 ? A 7.783 -31.695 -30.852 1.000 1 A 44.012 1 ATOM 790 O O . PRO 116 116 ? A 8.791 -31.263 -31.417 1.000 1 A 44.012 1 ATOM 791 C CB . PRO 116 116 ? A 6.459 -33.176 -32.401 1.000 1 A 44.012 1 ATOM 792 C CG . PRO 116 116 ? A 6.703 -32.789 -33.824 1.000 1 A 44.012 1 ATOM 793 C CD . PRO 116 116 ? A 6.711 -31.290 -33.916 1.000 1 A 44.012 1 ATOM 794 N N . ALA 117 117 ? A 7.647 -31.338 -29.545 1.000 1 A 39.609 1 ATOM 795 C CA . ALA 117 117 ? A 8.370 -31.441 -28.280 1.000 1 A 39.609 1 ATOM 796 C C . ALA 117 117 ? A 9.517 -32.442 -28.383 1.000 1 A 39.609 1 ATOM 797 O O . ALA 117 117 ? A 9.323 -33.575 -28.830 1.000 1 A 39.609 1 ATOM 798 C CB . ALA 117 117 ? A 7.420 -31.840 -27.154 1.000 1 A 39.609 1 ATOM 799 N N . GLY 118 118 ? A 10.672 -32.067 -28.929 1.000 1 A 36.686 1 ATOM 800 C CA . GLY 118 118 ? A 11.970 -32.700 -28.756 1.000 1 A 36.686 1 ATOM 801 C C . GLY 118 118 ? A 12.291 -33.015 -27.307 1.000 1 A 36.686 1 ATOM 802 O O . GLY 118 118 ? A 11.727 -32.409 -26.394 1.000 1 A 36.686 1 ATOM 803 N N . PRO 119 119 ? A 12.839 -34.216 -27.014 1.000 1 A 41.959 1 ATOM 804 C CA . PRO 119 119 ? A 13.096 -34.918 -25.754 1.000 1 A 41.959 1 ATOM 805 C C . PRO 119 119 ? A 14.018 -34.136 -24.821 1.000 1 A 41.959 1 ATOM 806 O O . PRO 119 119 ? A 14.846 -33.347 -25.283 1.000 1 A 41.959 1 ATOM 807 C CB . PRO 119 119 ? A 13.757 -36.222 -26.207 1.000 1 A 41.959 1 ATOM 808 C CG . PRO 119 119 ? A 14.209 -35.956 -27.607 1.000 1 A 41.959 1 ATOM 809 C CD . PRO 119 119 ? A 13.705 -34.604 -28.022 1.000 1 A 41.959 1 ATOM 810 N N . ALA 120 120 ? A 13.497 -33.855 -23.578 1.000 1 A 38.797 1 ATOM 811 C CA . ALA 120 120 ? A 13.993 -33.416 -22.276 1.000 1 A 38.797 1 ATOM 812 C C . ALA 120 120 ? A 15.410 -33.924 -22.029 1.000 1 A 38.797 1 ATOM 813 O O . ALA 120 120 ? A 15.711 -35.093 -22.284 1.000 1 A 38.797 1 ATOM 814 C CB . ALA 120 120 ? A 13.060 -33.889 -21.164 1.000 1 A 38.797 1 ATOM 815 N N . PRO 121 121 ? A 16.436 -33.084 -22.055 1.000 1 A 39.444 1 ATOM 816 C CA . PRO 121 121 ? A 17.759 -33.563 -21.649 1.000 1 A 39.444 1 ATOM 817 C C . PRO 121 121 ? A 17.813 -33.974 -20.180 1.000 1 A 39.444 1 ATOM 818 O O . PRO 121 121 ? A 16.972 -33.548 -19.385 1.000 1 A 39.444 1 ATOM 819 C CB . PRO 121 121 ? A 18.667 -32.359 -21.913 1.000 1 A 39.444 1 ATOM 820 C CG . PRO 121 121 ? A 17.748 -31.181 -21.912 1.000 1 A 39.444 1 ATOM 821 C CD . PRO 121 121 ? A 16.332 -31.680 -21.898 1.000 1 A 39.444 1 ATOM 822 N N . PRO 122 122 ? A 18.469 -35.110 -19.830 1.000 1 A 38.308 1 ATOM 823 C CA . PRO 122 122 ? A 18.668 -35.763 -18.534 1.000 1 A 38.308 1 ATOM 824 C C . PRO 122 122 ? A 19.451 -34.896 -17.550 1.000 1 A 38.308 1 ATOM 825 O O . PRO 122 122 ? A 20.235 -34.039 -17.966 1.000 1 A 38.308 1 ATOM 826 C CB . PRO 122 122 ? A 19.453 -37.027 -18.892 1.000 1 A 38.308 1 ATOM 827 C CG . PRO 122 122 ? A 20.076 -36.727 -20.217 1.000 1 A 38.308 1 ATOM 828 C CD . PRO 122 122 ? A 19.359 -35.557 -20.827 1.000 1 A 38.308 1 ATOM 829 N N . ALA 123 123 ? A 18.824 -34.598 -16.343 1.000 1 A 34.124 1 ATOM 830 C CA . ALA 123 123 ? A 19.076 -34.211 -14.957 1.000 1 A 34.124 1 ATOM 831 C C . ALA 123 123 ? A 20.562 -34.302 -14.624 1.000 1 A 34.124 1 ATOM 832 O O . ALA 123 123 ? A 21.183 -35.351 -14.810 1.000 1 A 34.124 1 ATOM 833 C CB . ALA 123 123 ? A 18.265 -35.087 -14.005 1.000 1 A 34.124 1 ATOM 834 N N . ALA 124 124 ? A 21.388 -33.396 -15.104 1.000 1 A 34.223 1 ATOM 835 C CA . ALA 124 124 ? A 22.771 -33.123 -14.721 1.000 1 A 34.223 1 ATOM 836 C C . ALA 124 124 ? A 22.878 -32.826 -13.228 1.000 1 A 34.223 1 ATOM 837 O O . ALA 124 124 ? A 22.108 -32.027 -12.691 1.000 1 A 34.223 1 ATOM 838 C CB . ALA 124 124 ? A 23.328 -31.956 -15.533 1.000 1 A 34.223 1 ATOM 839 N N . LYS 125 125 ? A 23.026 -33.818 -12.340 1.000 1 A 33.045 1 ATOM 840 C CA . LYS 125 125 ? A 23.748 -34.078 -11.098 1.000 1 A 33.045 1 ATOM 841 C C . LYS 125 125 ? A 24.760 -32.973 -10.809 1.000 1 A 33.045 1 ATOM 842 O O . LYS 125 125 ? A 25.671 -32.734 -11.605 1.000 1 A 33.045 1 ATOM 843 C CB . LYS 125 125 ? A 24.456 -35.432 -11.162 1.000 1 A 33.045 1 ATOM 844 C CG . LYS 125 125 ? A 23.676 -36.569 -10.518 1.000 1 A 33.045 1 ATOM 845 C CD . LYS 125 125 ? A 24.434 -37.887 -10.606 1.000 1 A 33.045 1 ATOM 846 C CE . LYS 125 125 ? A 23.664 -39.022 -9.944 1.000 1 A 33.045 1 ATOM 847 N NZ . LYS 125 125 ? A 24.408 -40.314 -10.018 1.000 1 A 33.045 1 ATOM 848 N N . LEU 126 126 ? A 24.340 -31.806 -10.413 1.000 1 A 28.778 1 ATOM 849 C CA . LEU 126 126 ? A 25.116 -30.680 -9.905 1.000 1 A 28.778 1 ATOM 850 C C . LEU 126 126 ? A 25.604 -30.953 -8.486 1.000 1 A 28.778 1 ATOM 851 O O . LEU 126 126 ? A 24.817 -31.337 -7.618 1.000 1 A 28.778 1 ATOM 852 C CB . LEU 126 126 ? A 24.281 -29.397 -9.932 1.000 1 A 28.778 1 ATOM 853 C CG . LEU 126 126 ? A 24.269 -28.625 -11.252 1.000 1 A 28.778 1 ATOM 854 C CD1 . LEU 126 126 ? A 22.998 -27.790 -11.366 1.000 1 A 28.778 1 ATOM 855 C CD2 . LEU 126 126 ? A 25.507 -27.741 -11.366 1.000 1 A 28.778 1 ATOM 856 N N . ARG 127 127 ? A 26.749 -31.590 -8.304 1.000 1 A 33.124 1 ATOM 857 C CA . ARG 127 127 ? A 27.869 -31.611 -7.368 1.000 1 A 33.124 1 ATOM 858 C C . ARG 127 127 ? A 27.909 -30.336 -6.533 1.000 1 A 33.124 1 ATOM 859 O O . ARG 127 127 ? A 27.779 -29.233 -7.068 1.000 1 A 33.124 1 ATOM 860 C CB . ARG 127 127 ? A 29.192 -31.790 -8.116 1.000 1 A 33.124 1 ATOM 861 C CG . ARG 127 127 ? A 30.113 -32.830 -7.499 1.000 1 A 33.124 1 ATOM 862 C CD . ARG 127 127 ? A 31.373 -33.031 -8.328 1.000 1 A 33.124 1 ATOM 863 N NE . ARG 127 127 ? A 32.421 -33.701 -7.563 1.000 1 A 33.124 1 ATOM 864 C CZ . ARG 127 127 ? A 33.707 -33.730 -7.903 1.000 1 A 33.124 1 ATOM 865 N NH1 . ARG 127 127 ? A 34.131 -33.124 -9.006 1.000 1 A 33.124 1 ATOM 866 N NH2 . ARG 127 127 ? A 34.576 -34.369 -7.134 1.000 1 A 33.124 1 ATOM 867 N N . PRO 128 128 ? A 27.811 -30.425 -5.210 1.000 1 A 33.982 1 ATOM 868 C CA . PRO 128 128 ? A 27.972 -29.355 -4.222 1.000 1 A 33.982 1 ATOM 869 C C . PRO 128 128 ? A 29.410 -28.850 -4.128 1.000 1 A 33.982 1 ATOM 870 O O . PRO 128 128 ? A 30.350 -29.596 -4.414 1.000 1 A 33.982 1 ATOM 871 C CB . PRO 128 128 ? A 27.540 -30.018 -2.911 1.000 1 A 33.982 1 ATOM 872 C CG . PRO 128 128 ? A 27.572 -31.485 -3.196 1.000 1 A 33.982 1 ATOM 873 C CD . PRO 128 128 ? A 27.682 -31.680 -4.681 1.000 1 A 33.982 1 ATOM 874 N N . PRO 129 129 ? A 29.597 -27.478 -4.118 1.000 1 A 33.589 1 ATOM 875 C CA . PRO 129 129 ? A 30.884 -26.779 -4.089 1.000 1 A 33.589 1 ATOM 876 C C . PRO 129 129 ? A 31.657 -27.020 -2.794 1.000 1 A 33.589 1 ATOM 877 O O . PRO 129 129 ? A 31.074 -27.443 -1.792 1.000 1 A 33.589 1 ATOM 878 C CB . PRO 129 129 ? A 30.490 -25.307 -4.223 1.000 1 A 33.589 1 ATOM 879 C CG . PRO 129 129 ? A 29.079 -25.243 -3.735 1.000 1 A 33.589 1 ATOM 880 C CD . PRO 129 129 ? A 28.578 -26.645 -3.540 1.000 1 A 33.589 1 ATOM 881 N N . PRO 130 130 ? A 33.014 -27.030 -2.880 1.000 1 A 31.237 1 ATOM 882 C CA . PRO 130 130 ? A 34.129 -27.399 -2.005 1.000 1 A 31.237 1 ATOM 883 C C . PRO 130 130 ? A 34.321 -26.421 -0.849 1.000 1 A 31.237 1 ATOM 884 O O . PRO 130 130 ? A 33.998 -25.237 -0.978 1.000 1 A 31.237 1 ATOM 885 C CB . PRO 130 130 ? A 35.337 -27.378 -2.946 1.000 1 A 31.237 1 ATOM 886 C CG . PRO 130 130 ? A 35.035 -26.295 -3.931 1.000 1 A 31.237 1 ATOM 887 C CD . PRO 130 130 ? A 33.614 -25.852 -3.732 1.000 1 A 31.237 1 ATOM 888 N N . GLU 131 131 ? A 34.115 -26.925 0.401 1.000 1 A 27.468 1 ATOM 889 C CA . GLU 131 131 ? A 34.609 -26.780 1.767 1.000 1 A 27.468 1 ATOM 890 C C . GLU 131 131 ? A 36.120 -26.561 1.787 1.000 1 A 27.468 1 ATOM 891 O O . GLU 131 131 ? A 36.876 -27.363 1.236 1.000 1 A 27.468 1 ATOM 892 C CB . GLU 131 131 ? A 34.245 -28.009 2.604 1.000 1 A 27.468 1 ATOM 893 C CG . GLU 131 131 ? A 32.798 -28.025 3.075 1.000 1 A 27.468 1 ATOM 894 C CD . GLU 131 131 ? A 32.458 -29.238 3.926 1.000 1 A 27.468 1 ATOM 895 O OE1 . GLU 131 131 ? A 31.537 -29.149 4.769 1.000 1 A 27.468 1 ATOM 896 O OE2 . GLU 131 131 ? A 33.119 -30.286 3.749 1.000 1 A 27.468 1 ATOM 897 N N . GLY 132 132 ? A 36.627 -25.371 1.692 1.000 1 A 30.511 1 ATOM 898 C CA . GLY 132 132 ? A 37.926 -24.851 2.090 1.000 1 A 30.511 1 ATOM 899 C C . GLY 132 132 ? A 37.834 -23.574 2.903 1.000 1 A 30.511 1 ATOM 900 O O . GLY 132 132 ? A 36.969 -22.732 2.650 1.000 1 A 30.511 1 ATOM 901 N N . SER 133 133 ? A 38.089 -23.678 4.224 1.000 1 A 31.134 1 ATOM 902 C CA . SER 133 133 ? A 39.154 -23.067 5.012 1.000 1 A 31.134 1 ATOM 903 C C . SER 133 133 ? A 38.588 -22.142 6.083 1.000 1 A 31.134 1 ATOM 904 O O . SER 133 133 ? A 37.706 -21.327 5.805 1.000 1 A 31.134 1 ATOM 905 C CB . SER 133 133 ? A 40.111 -22.289 4.108 1.000 1 A 31.134 1 ATOM 906 O OG . SER 133 133 ? A 41.361 -22.095 4.746 1.000 1 A 31.134 1 ATOM 907 N N . ALA 134 134 ? A 38.399 -22.612 7.357 1.000 1 A 29.190 1 ATOM 908 C CA . ALA 134 134 ? A 38.875 -22.203 8.676 1.000 1 A 29.190 1 ATOM 909 C C . ALA 134 134 ? A 39.207 -20.714 8.702 1.000 1 A 29.190 1 ATOM 910 O O . ALA 134 134 ? A 40.111 -20.260 7.996 1.000 1 A 29.190 1 ATOM 911 C CB . ALA 134 134 ? A 40.098 -23.024 9.078 1.000 1 A 29.190 1 ATOM 912 N N . GLY 135 135 ? A 38.299 -19.855 8.874 1.000 1 A 30.138 1 ATOM 913 C CA . GLY 135 135 ? A 38.557 -18.552 9.466 1.000 1 A 30.138 1 ATOM 914 C C . GLY 135 135 ? A 37.460 -18.098 10.411 1.000 1 A 30.138 1 ATOM 915 O O . GLY 135 135 ? A 36.277 -18.321 10.149 1.000 1 A 30.138 1 ATOM 916 N N . SER 136 136 ? A 37.534 -18.441 11.689 1.000 1 A 27.179 1 ATOM 917 C CA . SER 136 136 ? A 37.345 -17.696 12.930 1.000 1 A 27.179 1 ATOM 918 C C . SER 136 136 ? A 37.033 -16.229 12.652 1.000 1 A 27.179 1 ATOM 919 O O . SER 136 136 ? A 37.763 -15.562 11.916 1.000 1 A 27.179 1 ATOM 920 C CB . SER 136 136 ? A 38.589 -17.803 13.814 1.000 1 A 27.179 1 ATOM 921 O OG . SER 136 136 ? A 39.696 -17.164 13.203 1.000 1 A 27.179 1 ATOM 922 N N . CYS 137 137 ? A 35.729 -15.819 12.515 1.000 1 A 30.803 1 ATOM 923 C CA . CYS 137 137 ? A 35.333 -14.463 12.880 1.000 1 A 30.803 1 ATOM 924 C C . CYS 137 137 ? A 33.866 -14.416 13.292 1.000 1 A 30.803 1 ATOM 925 O O . CYS 137 137 ? A 33.005 -14.964 12.602 1.000 1 A 30.803 1 ATOM 926 C CB . CYS 137 137 ? A 35.576 -13.502 11.717 1.000 1 A 30.803 1 ATOM 927 S SG . CYS 137 137 ? A 36.833 -12.250 12.059 1.000 1 A 30.803 1 ATOM 928 N N . ALA 138 138 ? A 33.451 -14.814 14.469 1.000 1 A 30.937 1 ATOM 929 C CA . ALA 138 138 ? A 32.481 -14.236 15.396 1.000 1 A 30.937 1 ATOM 930 C C . ALA 138 138 ? A 31.583 -13.225 14.690 1.000 1 A 30.937 1 ATOM 931 O O . ALA 138 138 ? A 32.049 -12.453 13.848 1.000 1 A 30.937 1 ATOM 932 C CB . ALA 138 138 ? A 33.197 -13.577 16.572 1.000 1 A 30.937 1 ATOM 933 N N . PRO 139 139 ? A 30.254 -13.212 14.983 1.000 1 A 30.047 1 ATOM 934 C CA . PRO 139 139 ? A 28.954 -12.882 14.394 1.000 1 A 30.047 1 ATOM 935 C C . PRO 139 139 ? A 28.657 -11.384 14.422 1.000 1 A 30.047 1 ATOM 936 O O . PRO 139 139 ? A 29.178 -10.664 15.278 1.000 1 A 30.047 1 ATOM 937 C CB . PRO 139 139 ? A 27.963 -13.652 15.270 1.000 1 A 30.047 1 ATOM 938 C CG . PRO 139 139 ? A 28.578 -13.651 16.633 1.000 1 A 30.047 1 ATOM 939 C CD . PRO 139 139 ? A 29.952 -13.053 16.536 1.000 1 A 30.047 1 ATOM 940 N N . VAL 140 140 ? A 28.748 -10.698 13.311 1.000 1 A 31.519 1 ATOM 941 C CA . VAL 140 140 ? A 28.216 -9.362 13.063 1.000 1 A 31.519 1 ATOM 942 C C . VAL 140 140 ? A 26.695 -9.378 13.199 1.000 1 A 31.519 1 ATOM 943 O O . VAL 140 140 ? A 26.026 -10.257 12.652 1.000 1 A 31.519 1 ATOM 944 C CB . VAL 140 140 ? A 28.622 -8.840 11.666 1.000 1 A 31.519 1 ATOM 945 C CG1 . VAL 140 140 ? A 28.538 -7.316 11.614 1.000 1 A 31.519 1 ATOM 946 C CG2 . VAL 140 140 ? A 30.029 -9.314 11.308 1.000 1 A 31.519 1 ATOM 947 N N . PRO 141 141 ? A 26.067 -8.709 14.191 1.000 1 A 30.263 1 ATOM 948 C CA . PRO 141 141 ? A 24.707 -8.496 14.692 1.000 1 A 30.263 1 ATOM 949 C C . PRO 141 141 ? A 23.799 -7.822 13.666 1.000 1 A 30.263 1 ATOM 950 O O . PRO 141 141 ? A 24.287 -7.173 12.737 1.000 1 A 30.263 1 ATOM 951 C CB . PRO 141 141 ? A 24.918 -7.594 15.910 1.000 1 A 30.263 1 ATOM 952 C CG . PRO 141 141 ? A 26.086 -6.732 15.550 1.000 1 A 30.263 1 ATOM 953 C CD . PRO 141 141 ? A 26.644 -7.209 14.240 1.000 1 A 30.263 1 ATOM 954 N N . ALA 142 142 ? A 22.654 -8.558 13.288 1.000 1 A 27.476 1 ATOM 955 C CA . ALA 142 142 ? A 21.218 -8.291 13.279 1.000 1 A 27.476 1 ATOM 956 C C . ALA 142 142 ? A 20.933 -6.838 12.910 1.000 1 A 27.476 1 ATOM 957 O O . ALA 142 142 ? A 21.533 -5.919 13.472 1.000 1 A 27.476 1 ATOM 958 C CB . ALA 142 142 ? A 20.607 -8.621 14.638 1.000 1 A 27.476 1 ATOM 959 N N . ALA 143 143 ? A 21.075 -6.453 11.641 1.000 1 A 27.417 1 ATOM 960 C CA . ALA 143 143 ? A 20.340 -5.440 10.888 1.000 1 A 27.417 1 ATOM 961 C C . ALA 143 143 ? A 19.158 -4.907 11.693 1.000 1 A 27.417 1 ATOM 962 O O . ALA 143 143 ? A 18.329 -5.681 12.177 1.000 1 A 27.417 1 ATOM 963 C CB . ALA 143 143 ? A 19.858 -6.012 9.557 1.000 1 A 27.417 1 ATOM 964 N N . ALA 144 144 ? A 19.429 -4.151 12.756 1.000 1 A 27.424 1 ATOM 965 C CA . ALA 144 144 ? A 19.039 -2.841 13.271 1.000 1 A 27.424 1 ATOM 966 C C . ALA 144 144 ? A 17.818 -2.302 12.531 1.000 1 A 27.424 1 ATOM 967 O O . ALA 144 144 ? A 17.779 -2.309 11.299 1.000 1 A 27.424 1 ATOM 968 C CB . ALA 144 144 ? A 20.202 -1.858 13.161 1.000 1 A 27.424 1 ATOM 969 N N . ALA 145 145 ? A 16.603 -2.660 12.900 1.000 1 A 25.642 1 ATOM 970 C CA . ALA 145 145 ? A 15.495 -1.873 13.435 1.000 1 A 25.642 1 ATOM 971 C C . ALA 145 145 ? A 15.561 -0.429 12.945 1.000 1 A 25.642 1 ATOM 972 O O . ALA 145 145 ? A 16.588 0.237 13.093 1.000 1 A 25.642 1 ATOM 973 C CB . ALA 145 145 ? A 15.500 -1.915 14.961 1.000 1 A 25.642 1 ATOM 974 N N . VAL 146 146 ? A 15.299 -0.122 11.715 1.000 1 A 29.088 1 ATOM 975 C CA . VAL 146 146 ? A 14.879 1.194 11.243 1.000 1 A 29.088 1 ATOM 976 C C . VAL 146 146 ? A 13.849 1.784 12.204 1.000 1 A 29.088 1 ATOM 977 O O . VAL 146 146 ? A 12.775 1.211 12.400 1.000 1 A 29.088 1 ATOM 978 C CB . VAL 146 146 ? A 14.296 1.124 9.814 1.000 1 A 29.088 1 ATOM 979 C CG1 . VAL 146 146 ? A 13.866 2.511 9.338 1.000 1 A 29.088 1 ATOM 980 C CG2 . VAL 146 146 ? A 15.315 0.517 8.851 1.000 1 A 29.088 1 ATOM 981 N N . ALA 147 147 ? A 14.130 1.936 13.516 1.000 1 A 24.896 1 ATOM 982 C CA . ALA 147 147 ? A 13.592 2.894 14.478 1.000 1 A 24.896 1 ATOM 983 C C . ALA 147 147 ? A 13.973 4.323 14.100 1.000 1 A 24.896 1 ATOM 984 O O . ALA 147 147 ? A 15.127 4.595 13.760 1.000 1 A 24.896 1 ATOM 985 C CB . ALA 147 147 ? A 14.085 2.569 15.885 1.000 1 A 24.896 1 ATOM 986 N N . ALA 148 148 ? A 13.288 4.995 13.263 1.000 1 A 26.047 1 ATOM 987 C CA . ALA 148 148 ? A 12.908 6.402 13.170 1.000 1 A 26.047 1 ATOM 988 C C . ALA 148 148 ? A 13.507 7.209 14.319 1.000 1 A 26.047 1 ATOM 989 O O . ALA 148 148 ? A 13.165 6.991 15.484 1.000 1 A 26.047 1 ATOM 990 C CB . ALA 148 148 ? A 11.388 6.544 13.161 1.000 1 A 26.047 1 ATOM 991 N N . GLY 149 149 ? A 14.779 7.327 14.444 1.000 1 A 22.855 1 ATOM 992 C CA . GLY 149 149 ? A 15.426 8.409 15.169 1.000 1 A 22.855 1 ATOM 993 C C . GLY 149 149 ? A 15.108 9.780 14.602 1.000 1 A 22.855 1 ATOM 994 O O . GLY 149 149 ? A 14.891 9.924 13.397 1.000 1 A 22.855 1 ATOM 995 N N . PRO 150 150 ? A 14.756 10.775 15.493 1.000 1 A 31.797 1 ATOM 996 C CA . PRO 150 150 ? A 14.384 12.167 15.229 1.000 1 A 31.797 1 ATOM 997 C C . PRO 150 150 ? A 15.567 13.016 14.767 1.000 1 A 31.797 1 ATOM 998 O O . PRO 150 150 ? A 16.708 12.755 15.156 1.000 1 A 31.797 1 ATOM 999 C CB . PRO 150 150 ? A 13.857 12.654 16.581 1.000 1 A 31.797 1 ATOM 1000 C CG . PRO 150 150 ? A 14.536 11.786 17.591 1.000 1 A 31.797 1 ATOM 1001 C CD . PRO 150 150 ? A 15.264 10.690 16.866 1.000 1 A 31.797 1 ATOM 1002 N N . GLU 151 151 ? A 15.763 13.277 13.504 1.000 1 A 29.919 1 ATOM 1003 C CA . GLU 151 151 ? A 16.593 14.284 12.850 1.000 1 A 29.919 1 ATOM 1004 C C . GLU 151 151 ? A 16.367 15.666 13.456 1.000 1 A 29.919 1 ATOM 1005 O O . GLU 151 151 ? A 15.240 16.015 13.814 1.000 1 A 29.919 1 ATOM 1006 C CB . GLU 151 151 ? A 16.313 14.317 11.345 1.000 1 A 29.919 1 ATOM 1007 C CG . GLU 151 151 ? A 17.568 14.378 10.487 1.000 1 A 29.919 1 ATOM 1008 C CD . GLU 151 151 ? A 17.275 14.590 9.010 1.000 1 A 29.919 1 ATOM 1009 O OE1 . GLU 151 151 ? A 17.731 15.608 8.441 1.000 1 A 29.919 1 ATOM 1010 O OE2 . GLU 151 151 ? A 16.583 13.732 8.417 1.000 1 A 29.919 1 ATOM 1011 N N . PRO 152 152 ? A 17.439 16.491 13.653 1.000 1 A 31.870 1 ATOM 1012 C CA . PRO 152 152 ? A 17.843 17.685 14.399 1.000 1 A 31.870 1 ATOM 1013 C C . PRO 152 152 ? A 17.340 18.978 13.761 1.000 1 A 31.870 1 ATOM 1014 O O . PRO 152 152 ? A 17.058 19.009 12.561 1.000 1 A 31.870 1 ATOM 1015 C CB . PRO 152 152 ? A 19.372 17.619 14.367 1.000 1 A 31.870 1 ATOM 1016 C CG . PRO 152 152 ? A 19.701 17.016 13.040 1.000 1 A 31.870 1 ATOM 1017 C CD . PRO 152 152 ? A 18.422 16.585 12.382 1.000 1 A 31.870 1 ATOM 1018 N N . ALA 153 153 ? A 16.550 19.742 14.570 1.000 1 A 29.365 1 ATOM 1019 C CA . ALA 153 153 ? A 16.249 21.147 14.834 1.000 1 A 29.365 1 ATOM 1020 C C . ALA 153 153 ? A 17.229 22.063 14.109 1.000 1 A 29.365 1 ATOM 1021 O O . ALA 153 153 ? A 18.432 21.793 14.074 1.000 1 A 29.365 1 ATOM 1022 C CB . ALA 153 153 ? A 16.277 21.424 16.335 1.000 1 A 29.365 1 ATOM 1023 N N . PRO 154 154 ? A 16.639 22.998 13.315 1.000 1 A 33.853 1 ATOM 1024 C CA . PRO 154 154 ? A 17.322 24.106 12.643 1.000 1 A 33.853 1 ATOM 1025 C C . PRO 154 154 ? A 17.599 25.281 13.578 1.000 1 A 33.853 1 ATOM 1026 O O . PRO 154 154 ? A 16.929 25.432 14.602 1.000 1 A 33.853 1 ATOM 1027 C CB . PRO 154 154 ? A 16.341 24.507 11.538 1.000 1 A 33.853 1 ATOM 1028 C CG . PRO 154 154 ? A 14.994 24.135 12.069 1.000 1 A 33.853 1 ATOM 1029 C CD . PRO 154 154 ? A 15.182 23.322 13.318 1.000 1 A 33.853 1 ATOM 1030 N N . ALA 155 155 ? A 18.934 25.571 13.892 1.000 1 A 30.753 1 ATOM 1031 C CA . ALA 155 155 ? A 19.767 26.769 13.947 1.000 1 A 30.753 1 ATOM 1032 C C . ALA 155 155 ? A 18.917 28.034 13.865 1.000 1 A 30.753 1 ATOM 1033 O O . ALA 155 155 ? A 18.056 28.154 12.990 1.000 1 A 30.753 1 ATOM 1034 C CB . ALA 155 155 ? A 20.800 26.752 12.823 1.000 1 A 30.753 1 ATOM 1035 N N . GLY 156 156 ? A 18.610 28.586 15.018 1.000 1 A 23.594 1 ATOM 1036 C CA . GLY 156 156 ? A 18.707 29.874 15.686 1.000 1 A 23.594 1 ATOM 1037 C C . GLY 156 156 ? A 18.296 31.037 14.803 1.000 1 A 23.594 1 ATOM 1038 O O . GLY 156 156 ? A 18.449 30.979 13.581 1.000 1 A 23.594 1 ATOM 1039 N N . PRO 157 157 ? A 17.748 32.124 15.384 1.000 1 A 32.159 1 ATOM 1040 C CA . PRO 157 157 ? A 18.284 33.211 16.207 1.000 1 A 32.159 1 ATOM 1041 C C . PRO 157 157 ? A 17.219 33.872 17.079 1.000 1 A 32.159 1 ATOM 1042 O O . PRO 157 157 ? A 16.022 33.673 16.855 1.000 1 A 32.159 1 ATOM 1043 C CB . PRO 157 157 ? A 18.834 34.197 15.173 1.000 1 A 32.159 1 ATOM 1044 C CG . PRO 157 157 ? A 17.897 34.095 14.013 1.000 1 A 32.159 1 ATOM 1045 C CD . PRO 157 157 ? A 16.918 32.990 14.286 1.000 1 A 32.159 1 ATOM 1046 N N . ALA 158 158 ? A 17.599 34.128 18.369 1.000 1 A 30.779 1 ATOM 1047 C CA . ALA 158 158 ? A 17.681 35.401 19.080 1.000 1 A 30.779 1 ATOM 1048 C C . ALA 158 158 ? A 16.746 35.416 20.286 1.000 1 A 30.779 1 ATOM 1049 O O . ALA 158 158 ? A 15.572 35.057 20.174 1.000 1 A 30.779 1 ATOM 1050 C CB . ALA 158 158 ? A 17.351 36.558 18.140 1.000 1 A 30.779 1 ATOM 1051 N N . LYS 159 159 ? A 17.288 35.183 21.500 1.000 1 A 24.046 1 ATOM 1052 C CA . LYS 159 159 ? A 17.276 35.840 22.804 1.000 1 A 24.046 1 ATOM 1053 C C . LYS 159 159 ? A 16.463 37.130 22.762 1.000 1 A 24.046 1 ATOM 1054 O O . LYS 159 159 ? A 16.578 37.912 21.815 1.000 1 A 24.046 1 ATOM 1055 C CB . LYS 159 159 ? A 18.703 36.134 23.270 1.000 1 A 24.046 1 ATOM 1056 C CG . LYS 159 159 ? A 18.920 35.934 24.763 1.000 1 A 24.046 1 ATOM 1057 C CD . LYS 159 159 ? A 20.368 36.193 25.156 1.000 1 A 24.046 1 ATOM 1058 C CE . LYS 159 159 ? A 20.587 35.993 26.650 1.000 1 A 24.046 1 ATOM 1059 N NZ . LYS 159 159 ? A 21.981 36.341 27.057 1.000 1 A 24.046 1 ATOM 1060 N N . PRO 160 160 ? A 15.684 37.334 23.941 1.000 1 A 33.298 1 ATOM 1061 C CA . PRO 160 160 ? A 16.019 37.904 25.248 1.000 1 A 33.298 1 ATOM 1062 C C . PRO 160 160 ? A 15.121 37.381 26.367 1.000 1 A 33.298 1 ATOM 1063 O O . PRO 160 160 ? A 14.058 36.817 26.098 1.000 1 A 33.298 1 ATOM 1064 C CB . PRO 160 160 ? A 15.815 39.407 25.041 1.000 1 A 33.298 1 ATOM 1065 C CG . PRO 160 160 ? A 14.678 39.508 24.076 1.000 1 A 33.298 1 ATOM 1066 C CD . PRO 160 160 ? A 14.312 38.124 23.623 1.000 1 A 33.298 1 ATOM 1067 N N . ALA 161 161 ? A 15.696 37.020 27.509 1.000 1 A 28.041 1 ATOM 1068 C CA . ALA 161 161 ? A 15.791 37.652 28.823 1.000 1 A 28.041 1 ATOM 1069 C C . ALA 161 161 ? A 14.498 37.474 29.612 1.000 1 A 28.041 1 ATOM 1070 O O . ALA 161 161 ? A 13.418 37.830 29.134 1.000 1 A 28.041 1 ATOM 1071 C CB . ALA 161 161 ? A 16.123 39.135 28.677 1.000 1 A 28.041 1 ATOM 1072 N N . GLY 162 162 ? A 14.528 36.567 30.589 1.000 1 A 32.304 1 ATOM 1073 C CA . GLY 162 162 ? A 14.208 36.895 31.970 1.000 1 A 32.304 1 ATOM 1074 C C . GLY 162 162 ? A 14.008 35.671 32.843 1.000 1 A 32.304 1 ATOM 1075 O O . GLY 162 162 ? A 13.548 34.631 32.367 1.000 1 A 32.304 1 ATOM 1076 N N . PRO 163 163 ? A 14.238 35.744 34.176 1.000 1 A 35.861 1 ATOM 1077 C CA . PRO 163 163 ? A 14.683 34.893 35.282 1.000 1 A 35.861 1 ATOM 1078 C C . PRO 163 163 ? A 13.523 34.364 36.123 1.000 1 A 35.861 1 ATOM 1079 O O . PRO 163 163 ? A 12.408 34.884 36.039 1.000 1 A 35.861 1 ATOM 1080 C CB . PRO 163 163 ? A 15.575 35.824 36.107 1.000 1 A 35.861 1 ATOM 1081 C CG . PRO 163 163 ? A 14.939 37.171 35.983 1.000 1 A 35.861 1 ATOM 1082 C CD . PRO 163 163 ? A 13.800 37.073 35.010 1.000 1 A 35.861 1 ATOM 1083 N N . ALA 164 164 ? A 13.568 33.029 36.447 1.000 1 A 38.988 1 ATOM 1084 C CA . ALA 164 164 ? A 12.988 32.556 37.701 1.000 1 A 38.988 1 ATOM 1085 C C . ALA 164 164 ? A 13.572 31.204 38.100 1.000 1 A 38.988 1 ATOM 1086 O O . ALA 164 164 ? A 13.680 30.298 37.269 1.000 1 A 38.988 1 ATOM 1087 C CB . ALA 164 164 ? A 11.469 32.462 37.582 1.000 1 A 38.988 1 ATOM 1088 N N . ALA 165 165 ? A 14.575 31.135 38.968 1.000 1 A 29.536 1 ATOM 1089 C CA . ALA 165 165 ? A 14.630 30.840 40.398 1.000 1 A 29.536 1 ATOM 1090 C C . ALA 165 165 ? A 13.956 29.506 40.709 1.000 1 A 29.536 1 ATOM 1091 O O . ALA 165 165 ? A 12.860 29.228 40.216 1.000 1 A 29.536 1 ATOM 1092 C CB . ALA 165 165 ? A 13.976 31.963 41.198 1.000 1 A 29.536 1 ATOM 1093 N N . LEU 166 166 ? A 14.721 28.501 41.146 1.000 1 A 28.097 1 ATOM 1094 C CA . LEU 166 166 ? A 14.783 27.929 42.487 1.000 1 A 28.097 1 ATOM 1095 C C . LEU 166 166 ? A 14.055 26.591 42.541 1.000 1 A 28.097 1 ATOM 1096 O O . LEU 166 166 ? A 12.904 26.487 42.110 1.000 1 A 28.097 1 ATOM 1097 C CB . LEU 166 166 ? A 14.177 28.895 43.509 1.000 1 A 28.097 1 ATOM 1098 C CG . LEU 166 166 ? A 15.168 29.663 44.386 1.000 1 A 28.097 1 ATOM 1099 C CD1 . LEU 166 166 ? A 14.765 31.131 44.480 1.000 1 A 28.097 1 ATOM 1100 C CD2 . LEU 166 166 ? A 15.252 29.036 45.773 1.000 1 A 28.097 1 ATOM 1101 N N . ALA 167 167 ? A 14.779 25.493 42.713 1.000 1 A 32.095 1 ATOM 1102 C CA . ALA 167 167 ? A 14.679 24.708 43.941 1.000 1 A 32.095 1 ATOM 1103 C C . ALA 167 167 ? A 14.490 23.226 43.631 1.000 1 A 32.095 1 ATOM 1104 O O . ALA 167 167 ? A 13.688 22.863 42.768 1.000 1 A 32.095 1 ATOM 1105 C CB . ALA 167 167 ? A 13.529 25.218 44.806 1.000 1 A 32.095 1 ATOM 1106 N N . ALA 168 168 ? A 15.522 22.408 43.877 1.000 1 A 32.146 1 ATOM 1107 C CA . ALA 168 168 ? A 15.617 21.524 45.035 1.000 1 A 32.146 1 ATOM 1108 C C . ALA 168 168 ? A 15.679 20.061 44.604 1.000 1 A 32.146 1 ATOM 1109 O O . ALA 168 168 ? A 14.893 19.622 43.761 1.000 1 A 32.146 1 ATOM 1110 C CB . ALA 168 168 ? A 14.436 21.749 45.975 1.000 1 A 32.146 1 ATOM 1111 N N . ARG 169 169 ? A 16.857 19.462 44.652 1.000 1 A 30.783 1 ATOM 1112 C CA . ARG 169 169 ? A 17.456 18.600 45.666 1.000 1 A 30.783 1 ATOM 1113 C C . ARG 169 169 ? A 16.812 17.217 45.659 1.000 1 A 30.783 1 ATOM 1114 O O . ARG 169 169 ? A 15.585 17.099 45.654 1.000 1 A 30.783 1 ATOM 1115 C CB . ARG 169 169 ? A 17.327 19.231 47.054 1.000 1 A 30.783 1 ATOM 1116 C CG . ARG 169 169 ? A 18.645 19.720 47.633 1.000 1 A 30.783 1 ATOM 1117 C CD . ARG 169 169 ? A 18.511 20.093 49.103 1.000 1 A 30.783 1 ATOM 1118 N NE . ARG 169 169 ? A 19.702 19.726 49.863 1.000 1 A 30.783 1 ATOM 1119 C CZ . ARG 169 169 ? A 19.730 19.522 51.177 1.000 1 A 30.783 1 ATOM 1120 N NH1 . ARG 169 169 ? A 18.627 19.646 51.906 1.000 1 A 30.783 1 ATOM 1121 N NH2 . ARG 169 169 ? A 20.870 19.192 51.767 1.000 1 A 30.783 1 ATOM 1122 N N . ALA 170 170 ? A 17.577 16.227 45.322 1.000 1 A 28.224 1 ATOM 1123 C CA . ALA 170 170 ? A 18.323 15.235 46.094 1.000 1 A 28.224 1 ATOM 1124 C C . ALA 170 170 ? A 17.398 14.143 46.623 1.000 1 A 28.224 1 ATOM 1125 O O . ALA 170 170 ? A 16.372 14.436 47.242 1.000 1 A 28.224 1 ATOM 1126 C CB . ALA 170 170 ? A 19.063 15.907 47.248 1.000 1 A 28.224 1 ATOM 1127 N N . GLY 171 171 ? A 17.508 12.950 46.112 1.000 1 A 31.580 1 ATOM 1128 C CA . GLY 171 171 ? A 17.959 11.812 46.897 1.000 1 A 31.580 1 ATOM 1129 C C . GLY 171 171 ? A 17.824 10.490 46.164 1.000 1 A 31.580 1 ATOM 1130 O O . GLY 171 171 ? A 16.847 10.270 45.446 1.000 1 A 31.580 1 ATOM 1131 N N . PRO 172 172 ? A 18.844 9.721 46.090 1.000 1 A 34.664 1 ATOM 1132 C CA . PRO 172 172 ? A 18.999 8.270 45.957 1.000 1 A 34.664 1 ATOM 1133 C C . PRO 172 172 ? A 19.076 7.559 47.306 1.000 1 A 34.664 1 ATOM 1134 O O . PRO 172 172 ? A 19.441 8.172 48.311 1.000 1 A 34.664 1 ATOM 1135 C CB . PRO 172 172 ? A 20.315 8.126 45.188 1.000 1 A 34.664 1 ATOM 1136 C CG . PRO 172 172 ? A 21.167 9.253 45.674 1.000 1 A 34.664 1 ATOM 1137 C CD . PRO 172 172 ? A 20.347 10.107 46.598 1.000 1 A 34.664 1 ATOM 1138 N N . GLY 173 173 ? A 18.291 6.504 47.434 1.000 1 A 33.678 1 ATOM 1139 C CA . GLY 173 173 ? A 18.785 5.406 48.249 1.000 1 A 33.678 1 ATOM 1140 C C . GLY 173 173 ? A 17.739 4.340 48.512 1.000 1 A 33.678 1 ATOM 1141 O O . GLY 173 173 ? A 16.553 4.648 48.655 1.000 1 A 33.678 1 ATOM 1142 N N . PRO 174 174 ? A 18.169 3.132 48.809 1.000 1 A 42.448 1 ATOM 1143 C CA . PRO 174 174 ? A 18.220 1.696 48.524 1.000 1 A 42.448 1 ATOM 1144 C C . PRO 174 174 ? A 17.454 0.863 49.550 1.000 1 A 42.448 1 ATOM 1145 O O . PRO 174 174 ? A 17.094 1.369 50.616 1.000 1 A 42.448 1 ATOM 1146 C CB . PRO 174 174 ? A 19.716 1.379 48.571 1.000 1 A 42.448 1 ATOM 1147 C CG . PRO 174 174 ? A 20.263 2.275 49.634 1.000 1 A 42.448 1 ATOM 1148 C CD . PRO 174 174 ? A 19.166 3.191 50.097 1.000 1 A 42.448 1 ATOM 1149 N N . GLY 175 175 ? A 16.830 -0.216 49.101 1.000 1 A 35.155 1 ATOM 1150 C CA . GLY 175 175 ? A 16.975 -1.403 49.929 1.000 1 A 35.155 1 ATOM 1151 C C . GLY 175 175 ? A 16.332 -2.635 49.322 1.000 1 A 35.155 1 ATOM 1152 O O . GLY 175 175 ? A 15.287 -2.542 48.674 1.000 1 A 35.155 1 ATOM 1153 N N . PRO 176 176 ? A 16.986 -3.719 49.249 1.000 1 A 38.800 1 ATOM 1154 C CA . PRO 176 176 ? A 16.599 -5.125 49.106 1.000 1 A 38.800 1 ATOM 1155 C C . PRO 176 176 ? A 16.357 -5.810 50.449 1.000 1 A 38.800 1 ATOM 1156 O O . PRO 176 176 ? A 16.889 -5.374 51.473 1.000 1 A 38.800 1 ATOM 1157 C CB . PRO 176 176 ? A 17.795 -5.748 48.383 1.000 1 A 38.800 1 ATOM 1158 C CG . PRO 176 176 ? A 18.986 -5.020 48.917 1.000 1 A 38.800 1 ATOM 1159 C CD . PRO 176 176 ? A 18.507 -3.910 49.807 1.000 1 A 38.800 1 ATOM 1160 N N . GLY 177 177 ? A 15.205 -6.509 50.477 1.000 1 A 37.256 1 ATOM 1161 C CA . GLY 177 177 ? A 15.138 -7.632 51.398 1.000 1 A 37.256 1 ATOM 1162 C C . GLY 177 177 ? A 13.998 -8.586 51.094 1.000 1 A 37.256 1 ATOM 1163 O O . GLY 177 177 ? A 12.959 -8.174 50.573 1.000 1 A 37.256 1 ATOM 1164 N N . PRO 178 178 ? A 14.137 -9.814 51.421 1.000 1 A 37.567 1 ATOM 1165 C CA . PRO 178 178 ? A 14.056 -11.250 51.147 1.000 1 A 37.567 1 ATOM 1166 C C . PRO 178 178 ? A 12.774 -11.882 51.684 1.000 1 A 37.567 1 ATOM 1167 O O . PRO 178 178 ? A 12.092 -11.287 52.523 1.000 1 A 37.567 1 ATOM 1168 C CB . PRO 178 178 ? A 15.285 -11.815 51.863 1.000 1 A 37.567 1 ATOM 1169 C CG . PRO 178 178 ? A 15.434 -10.972 53.088 1.000 1 A 37.567 1 ATOM 1170 C CD . PRO 178 178 ? A 14.425 -9.862 53.029 1.000 1 A 37.567 1 ATOM 1171 N N . GLY 179 179 ? A 12.206 -12.817 50.922 1.000 1 A 36.144 1 ATOM 1172 C CA . GLY 179 179 ? A 12.031 -14.166 51.436 1.000 1 A 36.144 1 ATOM 1173 C C . GLY 179 179 ? A 10.598 -14.656 51.350 1.000 1 A 36.144 1 ATOM 1174 O O . GLY 179 179 ? A 9.658 -13.871 51.491 1.000 1 A 36.144 1 ATOM 1175 N N . PRO 180 180 ? A 10.407 -15.918 51.284 1.000 1 A 42.286 1 ATOM 1176 C CA . PRO 180 180 ? A 9.549 -16.986 50.765 1.000 1 A 42.286 1 ATOM 1177 C C . PRO 180 180 ? A 8.611 -17.558 51.825 1.000 1 A 42.286 1 ATOM 1178 O O . PRO 180 180 ? A 8.835 -17.363 53.023 1.000 1 A 42.286 1 ATOM 1179 C CB . PRO 180 180 ? A 10.550 -18.044 50.294 1.000 1 A 42.286 1 ATOM 1180 C CG . PRO 180 180 ? A 11.678 -17.965 51.271 1.000 1 A 42.286 1 ATOM 1181 C CD . PRO 180 180 ? A 11.428 -16.809 52.196 1.000 1 A 42.286 1 ATOM 1182 N N . GLY 181 181 ? A 7.400 -17.922 51.321 1.000 1 A 37.201 1 ATOM 1183 C CA . GLY 181 181 ? A 6.801 -19.116 51.897 1.000 1 A 37.201 1 ATOM 1184 C C . GLY 181 181 ? A 5.447 -19.452 51.300 1.000 1 A 37.201 1 ATOM 1185 O O . GLY 181 181 ? A 4.714 -18.559 50.869 1.000 1 A 37.201 1 ATOM 1186 N N . PRO 182 182 ? A 5.094 -20.695 51.261 1.000 1 A 39.022 1 ATOM 1187 C CA . PRO 182 182 ? A 4.478 -21.839 50.585 1.000 1 A 39.022 1 ATOM 1188 C C . PRO 182 182 ? A 2.991 -21.982 50.903 1.000 1 A 39.022 1 ATOM 1189 O O . PRO 182 182 ? A 2.512 -21.429 51.896 1.000 1 A 39.022 1 ATOM 1190 C CB . PRO 182 182 ? A 5.268 -23.035 51.123 1.000 1 A 39.022 1 ATOM 1191 C CG . PRO 182 182 ? A 5.583 -22.677 52.540 1.000 1 A 39.022 1 ATOM 1192 C CD . PRO 182 182 ? A 5.125 -21.269 52.790 1.000 1 A 39.022 1 ATOM 1193 N N . GLY 183 183 ? A 2.191 -22.303 49.886 1.000 1 A 27.903 1 ATOM 1194 C CA . GLY 183 183 ? A 1.236 -23.384 49.700 1.000 1 A 27.903 1 ATOM 1195 C C . GLY 183 183 ? A 0.061 -23.313 50.656 1.000 1 A 27.903 1 ATOM 1196 O O . GLY 183 183 ? A 0.181 -22.770 51.757 1.000 1 A 27.903 1 ATOM 1197 N N . PRO 184 184 ? A -1.092 -24.017 50.435 1.000 1 A 39.770 1 ATOM 1198 C CA . PRO 184 184 ? A -1.705 -25.158 49.750 1.000 1 A 39.770 1 ATOM 1199 C C . PRO 184 184 ? A -3.169 -24.914 49.392 1.000 1 A 39.770 1 ATOM 1200 O O . PRO 184 184 ? A -3.778 -23.959 49.883 1.000 1 A 39.770 1 ATOM 1201 C CB . PRO 184 184 ? A -1.573 -26.293 50.768 1.000 1 A 39.770 1 ATOM 1202 C CG . PRO 184 184 ? A -1.739 -25.634 52.099 1.000 1 A 39.770 1 ATOM 1203 C CD . PRO 184 184 ? A -1.819 -24.149 51.889 1.000 1 A 39.770 1 ATOM 1204 N N . GLY 185 185 ? A -3.679 -25.388 48.286 1.000 1 A 38.350 1 ATOM 1205 C CA . GLY 185 185 ? A -4.637 -26.482 48.319 1.000 1 A 38.350 1 ATOM 1206 C C . GLY 185 185 ? A -5.773 -26.311 47.329 1.000 1 A 38.350 1 ATOM 1207 O O . GLY 185 185 ? A -6.186 -25.187 47.038 1.000 1 A 38.350 1 ATOM 1208 N N . PRO 186 186 ? A -6.286 -27.303 46.788 1.000 1 A 40.763 1 ATOM 1209 C CA . PRO 186 186 ? A -7.157 -27.735 45.693 1.000 1 A 40.763 1 ATOM 1210 C C . PRO 186 186 ? A -8.631 -27.777 46.092 1.000 1 A 40.763 1 ATOM 1211 O O . PRO 186 186 ? A -8.952 -28.047 47.252 1.000 1 A 40.763 1 ATOM 1212 C CB . PRO 186 186 ? A -6.641 -29.137 45.363 1.000 1 A 40.763 1 ATOM 1213 C CG . PRO 186 186 ? A -6.220 -29.709 46.679 1.000 1 A 40.763 1 ATOM 1214 C CD . PRO 186 186 ? A -6.344 -28.638 47.725 1.000 1 A 40.763 1 ATOM 1215 N N . GLY 187 187 ? A -9.476 -27.027 45.371 1.000 1 A 41.598 1 ATOM 1216 C CA . GLY 187 187 ? A -10.911 -27.258 45.313 1.000 1 A 41.598 1 ATOM 1217 C C . GLY 187 187 ? A -11.416 -27.525 43.908 1.000 1 A 41.598 1 ATOM 1218 O O . GLY 187 187 ? A -10.976 -26.884 42.952 1.000 1 A 41.598 1 ATOM 1219 N N . LYS 188 188 ? A -11.449 -28.827 43.414 1.000 1 A 36.229 1 ATOM 1220 C CA . LYS 188 188 ? A -12.439 -29.760 42.885 1.000 1 A 36.229 1 ATOM 1221 C C . LYS 188 188 ? A -13.741 -29.043 42.541 1.000 1 A 36.229 1 ATOM 1222 O O . LYS 188 188 ? A -14.234 -28.228 43.324 1.000 1 A 36.229 1 ATOM 1223 C CB . LYS 188 188 ? A -12.708 -30.882 43.888 1.000 1 A 36.229 1 ATOM 1224 C CG . LYS 188 188 ? A -12.173 -32.240 43.457 1.000 1 A 36.229 1 ATOM 1225 C CD . LYS 188 188 ? A -12.508 -33.322 44.475 1.000 1 A 36.229 1 ATOM 1226 C CE . LYS 188 188 ? A -11.907 -34.665 44.083 1.000 1 A 36.229 1 ATOM 1227 N NZ . LYS 188 188 ? A -12.398 -35.769 44.962 1.000 1 A 36.229 1 ATOM 1228 N N . PRO 189 189 ? A -14.645 -29.617 41.677 1.000 1 A 46.397 1 ATOM 1229 C CA . PRO 189 189 ? A -15.304 -29.330 40.400 1.000 1 A 46.397 1 ATOM 1230 C C . PRO 189 189 ? A -16.819 -29.188 40.537 1.000 1 A 46.397 1 ATOM 1231 O O . PRO 189 189 ? A -17.409 -29.715 41.484 1.000 1 A 46.397 1 ATOM 1232 C CB . PRO 189 189 ? A -14.945 -30.543 39.538 1.000 1 A 46.397 1 ATOM 1233 C CG . PRO 189 189 ? A -14.913 -31.694 40.491 1.000 1 A 46.397 1 ATOM 1234 C CD . PRO 189 189 ? A -15.108 -31.165 41.883 1.000 1 A 46.397 1 ATOM 1235 N N . ALA 190 190 ? A -17.402 -28.244 39.834 1.000 1 A 43.744 1 ATOM 1236 C CA . ALA 190 190 ? A -18.817 -28.183 39.473 1.000 1 A 43.744 1 ATOM 1237 C C . ALA 190 190 ? A -18.993 -28.093 37.960 1.000 1 A 43.744 1 ATOM 1238 O O . ALA 190 190 ? A -18.305 -27.318 37.293 1.000 1 A 43.744 1 ATOM 1239 C CB . ALA 190 190 ? A -19.489 -26.994 40.155 1.000 1 A 43.744 1 ATOM 1240 N N . GLY 191 191 ? A -19.160 -29.226 37.217 1.000 1 A 33.658 1 ATOM 1241 C CA . GLY 191 191 ? A -20.198 -29.815 36.385 1.000 1 A 33.658 1 ATOM 1242 C C . GLY 191 191 ? A -20.965 -28.789 35.573 1.000 1 A 33.658 1 ATOM 1243 O O . GLY 191 191 ? A -21.185 -27.665 36.031 1.000 1 A 33.658 1 ATOM 1244 N N . PRO 192 192 ? A -21.750 -29.243 34.478 1.000 1 A 46.084 1 ATOM 1245 C CA . PRO 192 192 ? A -21.733 -29.141 33.016 1.000 1 A 46.084 1 ATOM 1246 C C . PRO 192 192 ? A -22.971 -28.444 32.458 1.000 1 A 46.084 1 ATOM 1247 O O . PRO 192 192 ? A -23.972 -28.297 33.164 1.000 1 A 46.084 1 ATOM 1248 C CB . PRO 192 192 ? A -21.677 -30.602 32.562 1.000 1 A 46.084 1 ATOM 1249 C CG . PRO 192 192 ? A -22.485 -31.348 33.574 1.000 1 A 46.084 1 ATOM 1250 C CD . PRO 192 192 ? A -22.883 -30.394 34.664 1.000 1 A 46.084 1 ATOM 1251 N N . GLY 193 193 ? A -22.818 -27.447 31.469 1.000 1 A 35.861 1 ATOM 1252 C CA . GLY 193 193 ? A -24.010 -27.110 30.707 1.000 1 A 35.861 1 ATOM 1253 C C . GLY 193 193 ? A -23.700 -26.538 29.336 1.000 1 A 35.861 1 ATOM 1254 O O . GLY 193 193 ? A -22.752 -25.765 29.180 1.000 1 A 35.861 1 ATOM 1255 N N . ALA 194 194 ? A -23.773 -27.350 28.258 1.000 1 A 37.412 1 ATOM 1256 C CA . ALA 194 194 ? A -24.806 -27.287 27.228 1.000 1 A 37.412 1 ATOM 1257 C C . ALA 194 194 ? A -24.196 -27.032 25.853 1.000 1 A 37.412 1 ATOM 1258 O O . ALA 194 194 ? A -23.436 -26.078 25.672 1.000 1 A 37.412 1 ATOM 1259 C CB . ALA 194 194 ? A -25.826 -26.202 27.564 1.000 1 A 37.412 1 ATOM 1260 N N . ALA 195 195 ? A -23.903 -28.066 25.100 1.000 1 A 35.985 1 ATOM 1261 C CA . ALA 195 195 ? A -24.199 -28.619 23.781 1.000 1 A 35.985 1 ATOM 1262 C C . ALA 195 195 ? A -25.388 -27.907 23.141 1.000 1 A 35.985 1 ATOM 1263 O O . ALA 195 195 ? A -26.476 -27.862 23.720 1.000 1 A 35.985 1 ATOM 1264 C CB . ALA 195 195 ? A -24.471 -30.118 23.881 1.000 1 A 35.985 1 ATOM 1265 N N . GLN 196 196 ? A -25.211 -26.929 22.317 1.000 1 A 43.122 1 ATOM 1266 C CA . GLN 196 196 ? A -26.165 -26.443 21.326 1.000 1 A 43.122 1 ATOM 1267 C C . GLN 196 196 ? A -25.605 -26.574 19.912 1.000 1 A 43.122 1 ATOM 1268 O O . GLN 196 196 ? A -24.493 -26.121 19.634 1.000 1 A 43.122 1 ATOM 1269 C CB . GLN 196 196 ? A -26.538 -24.987 21.609 1.000 1 A 43.122 1 ATOM 1270 C CG . GLN 196 196 ? A -27.722 -24.828 22.554 1.000 1 A 43.122 1 ATOM 1271 C CD . GLN 196 196 ? A -28.070 -23.375 22.819 1.000 1 A 43.122 1 ATOM 1272 O OE1 . GLN 196 196 ? A -27.714 -22.485 22.039 1.000 1 A 43.122 1 ATOM 1273 N NE2 . GLN 196 196 ? A -28.769 -23.125 23.921 1.000 1 A 43.122 1 ATOM 1274 N N . THR 197 197 ? A -25.821 -27.686 19.175 1.000 1 A 40.349 1 ATOM 1275 C CA . THR 197 197 ? A -26.157 -28.116 17.822 1.000 1 A 40.349 1 ATOM 1276 C C . THR 197 197 ? A -27.417 -27.411 17.328 1.000 1 A 40.349 1 ATOM 1277 O O . THR 197 197 ? A -28.405 -27.309 18.058 1.000 1 A 40.349 1 ATOM 1278 C CB . THR 197 197 ? A -26.360 -29.641 17.755 1.000 1 A 40.349 1 ATOM 1279 O OG1 . THR 197 197 ? A -27.415 -30.017 18.648 1.000 1 A 40.349 1 ATOM 1280 C CG2 . THR 197 197 ? A -25.087 -30.383 18.148 1.000 1 A 40.349 1 ATOM 1281 N N . LEU 198 198 ? A -27.322 -26.421 16.474 1.000 1 A 39.908 1 ATOM 1282 C CA . LEU 198 198 ? A -28.443 -26.124 15.588 1.000 1 A 39.908 1 ATOM 1283 C C . LEU 198 198 ? A -27.950 -25.746 14.195 1.000 1 A 39.908 1 ATOM 1284 O O . LEU 198 198 ? A -27.139 -24.829 14.047 1.000 1 A 39.908 1 ATOM 1285 C CB . LEU 198 198 ? A -29.296 -24.991 16.165 1.000 1 A 39.908 1 ATOM 1286 C CG . LEU 198 198 ? A -30.738 -25.346 16.529 1.000 1 A 39.908 1 ATOM 1287 C CD1 . LEU 198 198 ? A -31.109 -24.738 17.878 1.000 1 A 39.908 1 ATOM 1288 C CD2 . LEU 198 198 ? A -31.696 -24.872 15.441 1.000 1 A 39.908 1 ATOM 1289 N N . ASN 199 199 ? A -27.789 -26.772 13.296 1.000 1 A 32.787 1 ATOM 1290 C CA . ASN 199 199 ? A -28.427 -26.949 11.996 1.000 1 A 32.787 1 ATOM 1291 C C . ASN 199 199 ? A -29.668 -26.072 11.857 1.000 1 A 32.787 1 ATOM 1292 O O . ASN 199 199 ? A -30.604 -26.183 12.650 1.000 1 A 32.787 1 ATOM 1293 C CB . ASN 199 199 ? A -28.787 -28.418 11.770 1.000 1 A 32.787 1 ATOM 1294 C CG . ASN 199 199 ? A -27.869 -29.098 10.773 1.000 1 A 32.787 1 ATOM 1295 O OD1 . ASN 199 199 ? A -27.056 -28.445 10.114 1.000 1 A 32.787 1 ATOM 1296 N ND2 . ASN 199 199 ? A -27.992 -30.415 10.656 1.000 1 A 32.787 1 ATOM 1297 N N . GLY 200 200 ? A -29.540 -24.860 11.289 1.000 1 A 40.270 1 ATOM 1298 C CA . GLY 200 200 ? A -30.196 -24.176 10.187 1.000 1 A 40.270 1 ATOM 1299 C C . GLY 200 200 ? A -29.274 -23.235 9.435 1.000 1 A 40.270 1 ATOM 1300 O O . GLY 200 200 ? A -28.543 -22.453 10.046 1.000 1 A 40.270 1 ATOM 1301 N N . PHE 1 3681 ? B 1.809 -3.300 -3.949 1.000 2 B 92.844 1 ATOM 1302 C CA . PHE 1 3681 ? B 1.953 -1.874 -3.680 1.000 2 B 92.844 1 ATOM 1303 C C . PHE 1 3681 ? B 0.925 -1.410 -2.656 1.000 2 B 92.844 1 ATOM 1304 O O . PHE 1 3681 ? B 1.279 -0.788 -1.652 1.000 2 B 92.844 1 ATOM 1305 C CB . PHE 1 3681 ? B 1.809 -1.065 -4.973 1.000 2 B 92.844 1 ATOM 1306 C CG . PHE 1 3681 ? B 1.815 0.425 -4.760 1.000 2 B 92.844 1 ATOM 1307 C CD1 . PHE 1 3681 ? B 0.627 1.118 -4.562 1.000 2 B 92.844 1 ATOM 1308 C CD2 . PHE 1 3681 ? B 3.010 1.133 -4.758 1.000 2 B 92.844 1 ATOM 1309 C CE1 . PHE 1 3681 ? B 0.629 2.496 -4.365 1.000 2 B 92.844 1 ATOM 1310 C CE2 . PHE 1 3681 ? B 3.020 2.511 -4.561 1.000 2 B 92.844 1 ATOM 1311 C CZ . PHE 1 3681 ? B 1.829 3.191 -4.366 1.000 2 B 92.844 1 ATOM 1312 N N . ALA 2 3682 ? B -0.354 -1.662 -2.955 1.000 2 B 92.825 1 ATOM 1313 C CA . ALA 2 3682 ? B -1.429 -1.247 -2.059 1.000 2 B 92.825 1 ATOM 1314 C C . ALA 2 3682 ? B -1.289 -1.907 -0.690 1.000 2 B 92.825 1 ATOM 1315 O O . ALA 2 3682 ? B -1.537 -1.275 0.339 1.000 2 B 92.825 1 ATOM 1316 C CB . ALA 2 3682 ? B -2.789 -1.579 -2.669 1.000 2 B 92.825 1 ATOM 1317 N N . GLU 3 3683 ? B -0.914 -3.190 -0.637 1.000 2 B 92.299 1 ATOM 1318 C CA . GLU 3 3683 ? B -0.714 -3.900 0.623 1.000 2 B 92.299 1 ATOM 1319 C C . GLU 3 3683 ? B 0.270 -3.160 1.524 1.000 2 B 92.299 1 ATOM 1320 O O . GLU 3 3683 ? B 0.009 -2.970 2.713 1.000 2 B 92.299 1 ATOM 1321 C CB . GLU 3 3683 ? B -0.220 -5.326 0.365 1.000 2 B 92.299 1 ATOM 1322 C CG . GLU 3 3683 ? B -0.110 -6.176 1.622 1.000 2 B 92.299 1 ATOM 1323 C CD . GLU 3 3683 ? B 0.261 -7.623 1.338 1.000 2 B 92.299 1 ATOM 1324 O OE1 . GLU 3 3683 ? B 0.498 -8.389 2.299 1.000 2 B 92.299 1 ATOM 1325 O OE2 . GLU 3 3683 ? B 0.317 -7.993 0.144 1.000 2 B 92.299 1 ATOM 1326 N N . PHE 4 3684 ? B 1.325 -2.722 1.013 1.000 2 B 94.729 1 ATOM 1327 C CA . PHE 4 3684 ? B 2.359 -2.056 1.796 1.000 2 B 94.729 1 ATOM 1328 C C . PHE 4 3684 ? B 1.949 -0.628 2.132 1.000 2 B 94.729 1 ATOM 1329 O O . PHE 4 3684 ? B 1.984 -0.224 3.297 1.000 2 B 94.729 1 ATOM 1330 C CB . PHE 4 3684 ? B 3.692 -2.056 1.040 1.000 2 B 94.729 1 ATOM 1331 C CG . PHE 4 3684 ? B 4.783 -1.285 1.733 1.000 2 B 94.729 1 ATOM 1332 C CD1 . PHE 4 3684 ? B 5.185 -0.043 1.257 1.000 2 B 94.729 1 ATOM 1333 C CD2 . PHE 4 3684 ? B 5.406 -1.802 2.862 1.000 2 B 94.729 1 ATOM 1334 C CE1 . PHE 4 3684 ? B 6.195 0.673 1.897 1.000 2 B 94.729 1 ATOM 1335 C CE2 . PHE 4 3684 ? B 6.415 -1.092 3.506 1.000 2 B 94.729 1 ATOM 1336 C CZ . PHE 4 3684 ? B 6.809 0.144 3.021 1.000 2 B 94.729 1 ATOM 1337 N N . VAL 5 3685 ? B 1.544 0.183 1.109 1.000 2 B 95.773 1 ATOM 1338 C CA . VAL 5 3685 ? B 1.339 1.619 1.268 1.000 2 B 95.773 1 ATOM 1339 C C . VAL 5 3685 ? B 0.101 1.874 2.124 1.000 2 B 95.773 1 ATOM 1340 O O . VAL 5 3685 ? B 0.110 2.745 2.996 1.000 2 B 95.773 1 ATOM 1341 C CB . VAL 5 3685 ? B 1.197 2.326 -0.099 1.000 2 B 95.773 1 ATOM 1342 C CG1 . VAL 5 3685 ? B 0.704 3.760 0.084 1.000 2 B 95.773 1 ATOM 1343 C CG2 . VAL 5 3685 ? B 2.528 2.307 -0.850 1.000 2 B 95.773 1 ATOM 1344 N N . LEU 6 3686 ? B -0.947 1.025 2.038 1.000 2 B 95.363 1 ATOM 1345 C CA . LEU 6 3686 ? B -2.220 1.286 2.700 1.000 2 B 95.363 1 ATOM 1346 C C . LEU 6 3686 ? B -2.347 0.464 3.978 1.000 2 B 95.363 1 ATOM 1347 O O . LEU 6 3686 ? B -3.385 0.498 4.643 1.000 2 B 95.363 1 ATOM 1348 C CB . LEU 6 3686 ? B -3.387 0.973 1.760 1.000 2 B 95.363 1 ATOM 1349 C CG . LEU 6 3686 ? B -3.465 1.800 0.476 1.000 2 B 95.363 1 ATOM 1350 C CD1 . LEU 6 3686 ? B -4.675 1.381 -0.352 1.000 2 B 95.363 1 ATOM 1351 C CD2 . LEU 6 3686 ? B -3.522 3.288 0.801 1.000 2 B 95.363 1 ATOM 1352 N N . HIS 7 3687 ? B -1.368 -0.227 4.393 1.000 2 B 95.102 1 ATOM 1353 C CA . HIS 7 3687 ? B -1.382 -1.051 5.597 1.000 2 B 95.102 1 ATOM 1354 C C . HIS 7 3687 ? B -2.540 -2.043 5.571 1.000 2 B 95.102 1 ATOM 1355 O O . HIS 7 3687 ? B -3.277 -2.168 6.552 1.000 2 B 95.102 1 ATOM 1356 C CB . HIS 7 3687 ? B -1.470 -0.173 6.846 1.000 2 B 95.102 1 ATOM 1357 C CG . HIS 7 3687 ? B -0.261 0.679 7.068 1.000 2 B 95.102 1 ATOM 1358 N ND1 . HIS 7 3687 ? B -0.033 1.843 6.367 1.000 2 B 95.102 1 ATOM 1359 C CD2 . HIS 7 3687 ? B 0.785 0.535 7.915 1.000 2 B 95.102 1 ATOM 1360 C CE1 . HIS 7 3687 ? B 1.105 2.379 6.774 1.000 2 B 95.102 1 ATOM 1361 N NE2 . HIS 7 3687 ? B 1.621 1.605 7.713 1.000 2 B 95.102 1 ATOM 1362 N N . LEU 8 3688 ? B -2.646 -2.678 4.442 1.000 2 B 93.341 1 ATOM 1363 C CA . LEU 8 3688 ? B -3.747 -3.622 4.285 1.000 2 B 93.341 1 ATOM 1364 C C . LEU 8 3688 ? B -3.386 -4.981 4.877 1.000 2 B 93.341 1 ATOM 1365 O O . LEU 8 3688 ? B -2.208 -5.280 5.083 1.000 2 B 93.341 1 ATOM 1366 C CB . LEU 8 3688 ? B -4.112 -3.778 2.806 1.000 2 B 93.341 1 ATOM 1367 C CG . LEU 8 3688 ? B -4.560 -2.508 2.081 1.000 2 B 93.341 1 ATOM 1368 C CD1 . LEU 8 3688 ? B -4.861 -2.811 0.617 1.000 2 B 93.341 1 ATOM 1369 C CD2 . LEU 8 3688 ? B -5.779 -1.901 2.769 1.000 2 B 93.341 1 ATOM 1370 N N . ASN 9 3689 ? B -4.461 -5.704 5.238 1.000 2 B 89.332 1 ATOM 1371 C CA . ASN 9 3689 ? B -4.251 -7.072 5.702 1.000 2 B 89.332 1 ATOM 1372 C C . ASN 9 3689 ? B -3.639 -7.946 4.612 1.000 2 B 89.332 1 ATOM 1373 O O . ASN 9 3689 ? B -3.581 -7.545 3.448 1.000 2 B 89.332 1 ATOM 1374 C CB . ASN 9 3689 ? B -5.567 -7.679 6.193 1.000 2 B 89.332 1 ATOM 1375 C CG . ASN 9 3689 ? B -6.624 -7.739 5.108 1.000 2 B 89.332 1 ATOM 1376 O OD1 . ASN 9 3689 ? B -6.391 -7.312 3.974 1.000 2 B 89.332 1 ATOM 1377 N ND2 . ASN 9 3689 ? B -7.793 -8.270 5.447 1.000 2 B 89.332 1 ATOM 1378 N N . ARG 10 3690 ? B -3.228 -9.135 5.079 1.000 2 B 84.878 1 ATOM 1379 C CA . ARG 10 3690 ? B -2.571 -10.078 4.179 1.000 2 B 84.878 1 ATOM 1380 C C . ARG 10 3690 ? B -3.533 -10.571 3.104 1.000 2 B 84.878 1 ATOM 1381 O O . ARG 10 3690 ? B -4.694 -10.871 3.393 1.000 2 B 84.878 1 ATOM 1382 C CB . ARG 10 3690 ? B -2.006 -11.265 4.962 1.000 2 B 84.878 1 ATOM 1383 C CG . ARG 10 3690 ? B -0.959 -10.880 5.995 1.000 2 B 84.878 1 ATOM 1384 C CD . ARG 10 3690 ? B -0.485 -12.085 6.795 1.000 2 B 84.878 1 ATOM 1385 N NE . ARG 10 3690 ? B 0.350 -11.688 7.925 1.000 2 B 84.878 1 ATOM 1386 C CZ . ARG 10 3690 ? B 1.343 -12.416 8.426 1.000 2 B 84.878 1 ATOM 1387 N NH1 . ARG 10 3690 ? B 1.646 -13.600 7.905 1.000 2 B 84.878 1 ATOM 1388 N NH2 . ARG 10 3690 ? B 2.039 -11.959 9.457 1.000 2 B 84.878 1 ATOM 1389 N N . LEU 11 3691 ? B -2.934 -10.530 1.831 1.000 2 B 80.616 1 ATOM 1390 C CA . LEU 11 3691 ? B -3.688 -11.031 0.687 1.000 2 B 80.616 1 ATOM 1391 C C . LEU 11 3691 ? B -3.750 -12.555 0.703 1.000 2 B 80.616 1 ATOM 1392 O O . LEU 11 3691 ? B -2.722 -13.224 0.574 1.000 2 B 80.616 1 ATOM 1393 C CB . LEU 11 3691 ? B -3.059 -10.548 -0.622 1.000 2 B 80.616 1 ATOM 1394 C CG . LEU 11 3691 ? B -3.787 -10.941 -1.909 1.000 2 B 80.616 1 ATOM 1395 C CD1 . LEU 11 3691 ? B -5.103 -10.179 -2.027 1.000 2 B 80.616 1 ATOM 1396 C CD2 . LEU 11 3691 ? B -2.903 -10.682 -3.124 1.000 2 B 80.616 1 ATOM 1397 N N . ASN 12 3692 ? B -4.992 -13.129 1.066 1.000 2 B 82.175 1 ATOM 1398 C CA . ASN 12 3692 ? B -5.213 -14.569 0.976 1.000 2 B 82.175 1 ATOM 1399 C C . ASN 12 3692 ? B -5.562 -14.995 -0.447 1.000 2 B 82.175 1 ATOM 1400 O O . ASN 12 3692 ? B -6.219 -14.253 -1.179 1.000 2 B 82.175 1 ATOM 1401 C CB . ASN 12 3692 ? B -6.314 -15.004 1.945 1.000 2 B 82.175 1 ATOM 1402 C CG . ASN 12 3692 ? B -5.919 -14.822 3.398 1.000 2 B 82.175 1 ATOM 1403 O OD1 . ASN 12 3692 ? B -4.795 -15.142 3.793 1.000 2 B 82.175 1 ATOM 1404 N ND2 . ASN 12 3692 ? B -6.841 -14.307 4.203 1.000 2 B 82.175 1 ATOM 1405 N N . PRO 13 3693 ? B -4.943 -16.073 -0.926 1.000 2 B 79.685 1 ATOM 1406 C CA . PRO 13 3693 ? B -5.223 -16.550 -2.282 1.000 2 B 79.685 1 ATOM 1407 C C . PRO 13 3693 ? B -6.718 -16.647 -2.577 1.000 2 B 79.685 1 ATOM 1408 O O . PRO 13 3693 ? B -7.135 -16.501 -3.729 1.000 2 B 79.685 1 ATOM 1409 C CB . PRO 13 3693 ? B -4.570 -17.934 -2.311 1.000 2 B 79.685 1 ATOM 1410 C CG . PRO 13 3693 ? B -3.528 -17.887 -1.241 1.000 2 B 79.685 1 ATOM 1411 C CD . PRO 13 3693 ? B -3.974 -16.919 -0.183 1.000 2 B 79.685 1 ATOM 1412 N N . GLU 14 3694 ? B -7.564 -16.822 -1.518 1.000 2 B 83.238 1 ATOM 1413 C CA . GLU 14 3694 ? B -9.007 -16.951 -1.702 1.000 2 B 83.238 1 ATOM 1414 C C . GLU 14 3694 ? B -9.633 -15.619 -2.107 1.000 2 B 83.238 1 ATOM 1415 O O . GLU 14 3694 ? B -10.758 -15.584 -2.610 1.000 2 B 83.238 1 ATOM 1416 C CB . GLU 14 3694 ? B -9.668 -17.477 -0.426 1.000 2 B 83.238 1 ATOM 1417 C CG . GLU 14 3694 ? B -9.691 -16.470 0.715 1.000 2 B 83.238 1 ATOM 1418 C CD . GLU 14 3694 ? B -8.413 -16.465 1.538 1.000 2 B 83.238 1 ATOM 1419 O OE1 . GLU 14 3694 ? B -8.398 -15.857 2.632 1.000 2 B 83.238 1 ATOM 1420 O OE2 . GLU 14 3694 ? B -7.418 -17.075 1.085 1.000 2 B 83.238 1 ATOM 1421 N N . MET 15 3695 ? B -8.828 -14.550 -1.949 1.000 2 B 85.281 1 ATOM 1422 C CA . MET 15 3695 ? B -9.322 -13.211 -2.259 1.000 2 B 85.281 1 ATOM 1423 C C . MET 15 3695 ? B -8.930 -12.801 -3.675 1.000 2 B 85.281 1 ATOM 1424 O O . MET 15 3695 ? B -9.415 -11.792 -4.190 1.000 2 B 85.281 1 ATOM 1425 C CB . MET 15 3695 ? B -8.786 -12.192 -1.252 1.000 2 B 85.281 1 ATOM 1426 C CG . MET 15 3695 ? B -9.225 -12.457 0.179 1.000 2 B 85.281 1 ATOM 1427 S SD . MET 15 3695 ? B -8.642 -11.163 1.343 1.000 2 B 85.281 1 ATOM 1428 C CE . MET 15 3695 ? B -6.948 -11.741 1.641 1.000 2 B 85.281 1 ATOM 1429 N N . LEU 16 3696 ? B -8.032 -13.659 -4.309 1.000 2 B 84.613 1 ATOM 1430 C CA . LEU 16 3696 ? B -7.525 -13.347 -5.641 1.000 2 B 84.613 1 ATOM 1431 C C . LEU 16 3696 ? B -8.280 -14.133 -6.708 1.000 2 B 84.613 1 ATOM 1432 O O . LEU 16 3696 ? B -8.298 -15.365 -6.680 1.000 2 B 84.613 1 ATOM 1433 C CB . LEU 16 3696 ? B -6.027 -13.651 -5.730 1.000 2 B 84.613 1 ATOM 1434 C CG . LEU 16 3696 ? B -5.337 -13.281 -7.044 1.000 2 B 84.613 1 ATOM 1435 C CD1 . LEU 16 3696 ? B -5.170 -11.768 -7.147 1.000 2 B 84.613 1 ATOM 1436 C CD2 . LEU 16 3696 ? B -3.987 -13.981 -7.155 1.000 2 B 84.613 1 ATOM 1437 N N . GLN 17 3697 ? B -8.995 -13.408 -7.562 1.000 2 B 87.887 1 ATOM 1438 C CA . GLN 17 3697 ? B -9.721 -14.008 -8.677 1.000 2 B 87.887 1 ATOM 1439 C C . GLN 17 3697 ? B -9.091 -13.625 -10.013 1.000 2 B 87.887 1 ATOM 1440 O O . GLN 17 3697 ? B -8.823 -12.448 -10.264 1.000 2 B 87.887 1 ATOM 1441 C CB . GLN 17 3697 ? B -11.191 -13.587 -8.649 1.000 2 B 87.887 1 ATOM 1442 C CG . GLN 17 3697 ? B -11.925 -14.000 -7.380 1.000 2 B 87.887 1 ATOM 1443 C CD . GLN 17 3697 ? B -13.369 -13.535 -7.360 1.000 2 B 87.887 1 ATOM 1444 O OE1 . GLN 17 3697 ? B -13.713 -12.508 -7.954 1.000 2 B 87.887 1 ATOM 1445 N NE2 . GLN 17 3697 ? B -14.224 -14.286 -6.675 1.000 2 B 87.887 1 ATOM 1446 N N . ILE 18 3698 ? B -8.766 -14.653 -10.785 1.000 2 B 89.341 1 ATOM 1447 C CA . ILE 18 3698 ? B -8.226 -14.428 -12.121 1.000 2 B 89.341 1 ATOM 1448 C C . ILE 18 3698 ? B -9.261 -14.829 -13.170 1.000 2 B 89.341 1 ATOM 1449 O O . ILE 18 3698 ? B -9.698 -15.982 -13.212 1.000 2 B 89.341 1 ATOM 1450 C CB . ILE 18 3698 ? B -6.912 -15.211 -12.339 1.000 2 B 89.341 1 ATOM 1451 C CG1 . ILE 18 3698 ? B -5.903 -14.879 -11.235 1.000 2 B 89.341 1 ATOM 1452 C CG2 . ILE 18 3698 ? B -6.328 -14.911 -13.723 1.000 2 B 89.341 1 ATOM 1453 C CD1 . ILE 18 3698 ? B -4.663 -15.762 -11.242 1.000 2 B 89.341 1 ATOM 1454 N N . ALA 19 3699 ? B -9.725 -13.734 -13.854 1.000 2 B 92.558 1 ATOM 1455 C CA . ALA 19 3699 ? B -10.657 -14.032 -14.939 1.000 2 B 92.558 1 ATOM 1456 C C . ALA 19 3699 ? B -9.992 -14.886 -16.014 1.000 2 B 92.558 1 ATOM 1457 O O . ALA 19 3699 ? B -8.953 -14.509 -16.562 1.000 2 B 92.558 1 ATOM 1458 C CB . ALA 19 3699 ? B -11.194 -12.739 -15.548 1.000 2 B 92.558 1 ATOM 1459 N N . GLN 20 3700 ? B -10.549 -16.049 -16.372 1.000 2 B 93.167 1 ATOM 1460 C CA . GLN 20 3700 ? B -9.968 -17.001 -17.313 1.000 2 B 93.167 1 ATOM 1461 C C . GLN 20 3700 ? B -10.001 -16.456 -18.738 1.000 2 B 93.167 1 ATOM 1462 O O . GLN 20 3700 ? B -9.086 -16.707 -19.525 1.000 2 B 93.167 1 ATOM 1463 C CB . GLN 20 3700 ? B -10.703 -18.341 -17.246 1.000 2 B 93.167 1 ATOM 1464 C CG . GLN 20 3700 ? B -10.467 -19.108 -15.952 1.000 2 B 93.167 1 ATOM 1465 C CD . GLN 20 3700 ? B -11.152 -20.461 -15.938 1.000 2 B 93.167 1 ATOM 1466 O OE1 . GLN 20 3700 ? B -11.980 -20.761 -16.804 1.000 2 B 93.167 1 ATOM 1467 N NE2 . GLN 20 3700 ? B -10.815 -21.287 -14.953 1.000 2 B 93.167 1 ATOM 1468 N N . ASP 21 3701 ? B -10.975 -15.680 -19.008 1.000 2 B 95.203 1 ATOM 1469 C CA . ASP 21 3701 ? B -11.178 -15.217 -20.377 1.000 2 B 95.203 1 ATOM 1470 C C . ASP 21 3701 ? B -10.282 -14.021 -20.691 1.000 2 B 95.203 1 ATOM 1471 O O . ASP 21 3701 ? B -9.722 -13.928 -21.785 1.000 2 B 95.203 1 ATOM 1472 C CB . ASP 21 3701 ? B -12.645 -14.851 -20.608 1.000 2 B 95.203 1 ATOM 1473 C CG . ASP 21 3701 ? B -13.167 -13.832 -19.610 1.000 2 B 95.203 1 ATOM 1474 O OD1 . ASP 21 3701 ? B -12.558 -13.670 -18.530 1.000 2 B 95.203 1 ATOM 1475 O OD2 . ASP 21 3701 ? B -14.197 -13.188 -19.904 1.000 2 B 95.203 1 ATOM 1476 N N . THR 22 3702 ? B -9.987 -13.104 -19.643 1.000 2 B 95.220 1 ATOM 1477 C CA . THR 22 3702 ? B -9.288 -11.849 -19.900 1.000 2 B 95.220 1 ATOM 1478 C C . THR 22 3702 ? B -7.921 -11.842 -19.222 1.000 2 B 95.220 1 ATOM 1479 O O . THR 22 3702 ? B -7.030 -11.087 -19.616 1.000 2 B 95.220 1 ATOM 1480 C CB . THR 22 3702 ? B -10.111 -10.642 -19.414 1.000 2 B 95.220 1 ATOM 1481 O OG1 . THR 22 3702 ? B -10.307 -10.743 -17.998 1.000 2 B 95.220 1 ATOM 1482 C CG2 . THR 22 3702 ? B -11.472 -10.592 -20.101 1.000 2 B 95.220 1 ATOM 1483 N N . GLY 23 3703 ? B -7.853 -12.792 -18.255 1.000 2 B 88.442 1 ATOM 1484 C CA . GLY 23 3703 ? B -6.622 -12.793 -17.481 1.000 2 B 88.442 1 ATOM 1485 C C . GLY 23 3703 ? B -6.543 -11.653 -16.483 1.000 2 B 88.442 1 ATOM 1486 O O . GLY 23 3703 ? B -5.489 -11.409 -15.892 1.000 2 B 88.442 1 ATOM 1487 N N . LYS 24 3704 ? B -7.609 -10.903 -16.267 1.000 2 B 88.009 1 ATOM 1488 C CA . LYS 24 3704 ? B -7.652 -9.796 -15.317 1.000 2 B 88.009 1 ATOM 1489 C C . LYS 24 3704 ? B -7.717 -10.306 -13.880 1.000 2 B 88.009 1 ATOM 1490 O O . LYS 24 3704 ? B -8.328 -11.343 -13.612 1.000 2 B 88.009 1 ATOM 1491 C CB . LYS 24 3704 ? B -8.849 -8.888 -15.605 1.000 2 B 88.009 1 ATOM 1492 C CG . LYS 24 3704 ? B -8.741 -8.119 -16.914 1.000 2 B 88.009 1 ATOM 1493 C CD . LYS 24 3704 ? B -9.929 -7.186 -17.113 1.000 2 B 88.009 1 ATOM 1494 C CE . LYS 24 3704 ? B -9.832 -6.431 -18.432 1.000 2 B 88.009 1 ATOM 1495 N NZ . LYS 24 3704 ? B -11.048 -5.600 -18.685 1.000 2 B 88.009 1 ATOM 1496 N N . LEU 25 3705 ? B -6.951 -9.661 -13.087 1.000 2 B 85.692 1 ATOM 1497 C CA . LEU 25 3705 ? B -6.869 -10.029 -11.678 1.000 2 B 85.692 1 ATOM 1498 C C . LEU 25 3705 ? B -7.814 -9.177 -10.838 1.000 2 B 85.692 1 ATOM 1499 O O . LEU 25 3705 ? B -7.880 -7.958 -11.014 1.000 2 B 85.692 1 ATOM 1500 C CB . LEU 25 3705 ? B -5.434 -9.876 -11.167 1.000 2 B 85.692 1 ATOM 1501 C CG . LEU 25 3705 ? B -5.146 -10.440 -9.775 1.000 2 B 85.692 1 ATOM 1502 C CD1 . LEU 25 3705 ? B -3.751 -11.055 -9.731 1.000 2 B 85.692 1 ATOM 1503 C CD2 . LEU 25 3705 ? B -5.291 -9.353 -8.716 1.000 2 B 85.692 1 ATOM 1504 N N . ASN 26 3706 ? B -8.659 -9.873 -10.104 1.000 2 B 87.786 1 ATOM 1505 C CA . ASN 26 3706 ? B -9.530 -9.198 -9.148 1.000 2 B 87.786 1 ATOM 1506 C C . ASN 26 3706 ? B -9.237 -9.637 -7.716 1.000 2 B 87.786 1 ATOM 1507 O O . ASN 26 3706 ? B -9.255 -10.832 -7.413 1.000 2 B 87.786 1 ATOM 1508 C CB . ASN 26 3706 ? B -11.000 -9.448 -9.490 1.000 2 B 87.786 1 ATOM 1509 C CG . ASN 26 3706 ? B -11.948 -8.666 -8.603 1.000 2 B 87.786 1 ATOM 1510 O OD1 . ASN 26 3706 ? B -11.563 -7.664 -7.995 1.000 2 B 87.786 1 ATOM 1511 N ND2 . ASN 26 3706 ? B -13.194 -9.116 -8.524 1.000 2 B 87.786 1 ATOM 1512 N N . VAL 27 3707 ? B -8.919 -8.732 -6.963 1.000 2 B 86.107 1 ATOM 1513 C CA . VAL 27 3707 ? B -8.666 -9.018 -5.555 1.000 2 B 86.107 1 ATOM 1514 C C . VAL 27 3707 ? B -9.841 -8.534 -4.709 1.000 2 B 86.107 1 ATOM 1515 O O . VAL 27 3707 ? B -10.163 -7.343 -4.706 1.000 2 B 86.107 1 ATOM 1516 C CB . VAL 27 3707 ? B -7.354 -8.362 -5.070 1.000 2 B 86.107 1 ATOM 1517 C CG1 . VAL 27 3707 ? B -7.043 -8.775 -3.632 1.000 2 B 86.107 1 ATOM 1518 C CG2 . VAL 27 3707 ? B -6.198 -8.732 -5.997 1.000 2 B 86.107 1 ATOM 1519 N N . ALA 28 3708 ? B -10.549 -9.599 -4.117 1.000 2 B 82.779 1 ATOM 1520 C CA . ALA 28 3708 ? B -11.710 -9.294 -3.285 1.000 2 B 82.779 1 ATOM 1521 C C . ALA 28 3708 ? B -11.313 -9.151 -1.819 1.000 2 B 82.779 1 ATOM 1522 O O . ALA 28 3708 ? B -10.378 -9.809 -1.356 1.000 2 B 82.779 1 ATOM 1523 C CB . ALA 28 3708 ? B -12.776 -10.376 -3.442 1.000 2 B 82.779 1 ATOM 1524 N N . TYR 29 3709 ? B -11.601 -7.945 -1.289 1.000 2 B 79.620 1 ATOM 1525 C CA . TYR 29 3709 ? B -11.723 -7.826 0.159 1.000 2 B 79.620 1 ATOM 1526 C C . TYR 29 3709 ? B -10.389 -7.441 0.789 1.000 2 B 79.620 1 ATOM 1527 O O . TYR 29 3709 ? B -9.669 -8.299 1.305 1.000 2 B 79.620 1 ATOM 1528 C CB . TYR 29 3709 ? B -12.228 -9.138 0.766 1.000 2 B 79.620 1 ATOM 1529 C CG . TYR 29 3709 ? B -13.642 -9.485 0.370 1.000 2 B 79.620 1 ATOM 1530 C CD1 . TYR 29 3709 ? B -14.730 -8.885 1.001 1.000 2 B 79.620 1 ATOM 1531 C CD2 . TYR 29 3709 ? B -13.894 -10.414 -0.634 1.000 2 B 79.620 1 ATOM 1532 C CE1 . TYR 29 3709 ? B -16.035 -9.203 0.641 1.000 2 B 79.620 1 ATOM 1533 C CE2 . TYR 29 3709 ? B -15.196 -10.739 -1.002 1.000 2 B 79.620 1 ATOM 1534 C CZ . TYR 29 3709 ? B -16.258 -10.130 -0.360 1.000 2 B 79.620 1 ATOM 1535 O OH . TYR 29 3709 ? B -17.548 -10.448 -0.721 1.000 2 B 79.620 1 ATOM 1536 N N . PHE 30 3710 ? B -9.956 -6.152 0.668 1.000 2 B 84.444 1 ATOM 1537 C CA . PHE 30 3710 ? B -8.885 -5.569 1.467 1.000 2 B 84.444 1 ATOM 1538 C C . PHE 30 3710 ? B -9.452 -4.795 2.651 1.000 2 B 84.444 1 ATOM 1539 O O . PHE 30 3710 ? B -10.478 -4.123 2.525 1.000 2 B 84.444 1 ATOM 1540 C CB . PHE 30 3710 ? B -8.011 -4.650 0.608 1.000 2 B 84.444 1 ATOM 1541 C CG . PHE 30 3710 ? B -6.944 -5.376 -0.166 1.000 2 B 84.444 1 ATOM 1542 C CD1 . PHE 30 3710 ? B -5.845 -5.925 0.485 1.000 2 B 84.444 1 ATOM 1543 C CD2 . PHE 30 3710 ? B -7.039 -5.509 -1.545 1.000 2 B 84.444 1 ATOM 1544 C CE1 . PHE 30 3710 ? B -4.856 -6.597 -0.229 1.000 2 B 84.444 1 ATOM 1545 C CE2 . PHE 30 3710 ? B -6.054 -6.180 -2.265 1.000 2 B 84.444 1 ATOM 1546 C CZ . PHE 30 3710 ? B -4.963 -6.722 -1.605 1.000 2 B 84.444 1 ATOM 1547 N N . ARG 31 3711 ? B -8.842 -5.200 3.735 1.000 2 B 90.005 1 ATOM 1548 C CA . ARG 31 3711 ? B -9.196 -4.417 4.914 1.000 2 B 90.005 1 ATOM 1549 C C . ARG 31 3711 ? B -7.973 -3.712 5.490 1.000 2 B 90.005 1 ATOM 1550 O O . ARG 31 3711 ? B -6.853 -4.217 5.387 1.000 2 B 90.005 1 ATOM 1551 C CB . ARG 31 3711 ? B -9.838 -5.308 5.979 1.000 2 B 90.005 1 ATOM 1552 C CG . ARG 31 3711 ? B -11.338 -5.486 5.812 1.000 2 B 90.005 1 ATOM 1553 C CD . ARG 31 3711 ? B -11.977 -6.087 7.056 1.000 2 B 90.005 1 ATOM 1554 N NE . ARG 31 3711 ? B -13.403 -6.335 6.863 1.000 2 B 90.005 1 ATOM 1555 C CZ . ARG 31 3711 ? B -13.953 -7.539 6.734 1.000 2 B 90.005 1 ATOM 1556 N NH1 . ARG 31 3711 ? B -13.203 -8.635 6.775 1.000 2 B 90.005 1 ATOM 1557 N NH2 . ARG 31 3711 ? B -15.262 -7.650 6.562 1.000 2 B 90.005 1 ATOM 1558 N N . PHE 32 3712 ? B -8.180 -2.516 5.942 1.000 2 B 94.163 1 ATOM 1559 C CA . PHE 32 3712 ? B -7.102 -1.847 6.660 1.000 2 B 94.163 1 ATOM 1560 C C . PHE 32 3712 ? B -6.716 -2.629 7.910 1.000 2 B 94.163 1 ATOM 1561 O O . PHE 32 3712 ? B -7.585 -3.073 8.664 1.000 2 B 94.163 1 ATOM 1562 C CB . PHE 32 3712 ? B -7.511 -0.420 7.039 1.000 2 B 94.163 1 ATOM 1563 C CG . PHE 32 3712 ? B -7.672 0.499 5.859 1.000 2 B 94.163 1 ATOM 1564 C CD1 . PHE 32 3712 ? B -6.562 1.072 5.250 1.000 2 B 94.163 1 ATOM 1565 C CD2 . PHE 32 3712 ? B -8.934 0.791 5.358 1.000 2 B 94.163 1 ATOM 1566 C CE1 . PHE 32 3712 ? B -6.707 1.923 4.157 1.000 2 B 94.163 1 ATOM 1567 C CE2 . PHE 32 3712 ? B -9.087 1.641 4.266 1.000 2 B 94.163 1 ATOM 1568 C CZ . PHE 32 3712 ? B -7.973 2.206 3.668 1.000 2 B 94.163 1 ATOM 1569 N N . ASP 33 3713 ? B -5.513 -2.902 8.047 1.000 2 B 93.551 1 ATOM 1570 C CA . ASP 33 3713 ? B -5.025 -3.630 9.214 1.000 2 B 93.551 1 ATOM 1571 C C . ASP 33 3713 ? B -4.891 -2.706 10.422 1.000 2 B 93.551 1 ATOM 1572 O O . ASP 33 3713 ? B -3.865 -2.043 10.592 1.000 2 B 93.551 1 ATOM 1573 C CB . ASP 33 3713 ? B -3.681 -4.296 8.909 1.000 2 B 93.551 1 ATOM 1574 C CG . ASP 33 3713 ? B -3.311 -5.372 9.914 1.000 2 B 93.551 1 ATOM 1575 O OD1 . ASP 33 3713 ? B -4.099 -5.631 10.849 1.000 2 B 93.551 1 ATOM 1576 O OD2 . ASP 33 3713 ? B -2.220 -5.965 9.771 1.000 2 B 93.551 1 ATOM 1577 N N . ILE 34 3714 ? B -5.914 -2.690 11.224 1.000 2 B 94.440 1 ATOM 1578 C CA . ILE 34 3714 ? B -5.963 -1.822 12.396 1.000 2 B 94.440 1 ATOM 1579 C C . ILE 34 3714 ? B -5.679 -2.638 13.655 1.000 2 B 94.440 1 ATOM 1580 O O . ILE 34 3714 ? B -6.310 -3.671 13.888 1.000 2 B 94.440 1 ATOM 1581 C CB . ILE 34 3714 ? B -7.329 -1.110 12.515 1.000 2 B 94.440 1 ATOM 1582 C CG1 . ILE 34 3714 ? B -7.614 -0.287 11.253 1.000 2 B 94.440 1 ATOM 1583 C CG2 . ILE 34 3714 ? B -7.370 -0.227 13.765 1.000 2 B 94.440 1 ATOM 1584 C CD1 . ILE 34 3714 ? B -8.999 0.345 11.226 1.000 2 B 94.440 1 ATOM 1585 N N . ASN 35 3715 ? B -4.653 -2.209 14.434 1.000 2 B 92.588 1 ATOM 1586 C CA . ASN 35 3715 ? B -4.334 -2.844 15.708 1.000 2 B 92.588 1 ATOM 1587 C C . ASN 35 3715 ? B -5.496 -2.741 16.692 1.000 2 B 92.588 1 ATOM 1588 O O . ASN 35 3715 ? B -5.950 -1.640 17.010 1.000 2 B 92.588 1 ATOM 1589 C CB . ASN 35 3715 ? B -3.070 -2.230 16.313 1.000 2 B 92.588 1 ATOM 1590 C CG . ASN 35 3715 ? B -2.588 -2.976 17.542 1.000 2 B 92.588 1 ATOM 1591 O OD1 . ASN 35 3715 ? B -3.325 -3.128 18.520 1.000 2 B 92.588 1 ATOM 1592 N ND2 . ASN 35 3715 ? B -1.348 -3.448 17.501 1.000 2 B 92.588 1 ATOM 1593 N N . ASP 36 3716 ? B -5.994 -3.885 17.157 1.000 2 B 89.797 1 ATOM 1594 C CA . ASP 36 3716 ? B -7.171 -3.960 18.018 1.000 2 B 89.797 1 ATOM 1595 C C . ASP 36 3716 ? B -6.932 -3.234 19.340 1.000 2 B 89.797 1 ATOM 1596 O O . ASP 36 3716 ? B -7.865 -2.688 19.932 1.000 2 B 89.797 1 ATOM 1597 C CB . ASP 36 3716 ? B -7.551 -5.419 18.281 1.000 2 B 89.797 1 ATOM 1598 C CG . ASP 36 3716 ? B -8.116 -6.114 17.055 1.000 2 B 89.797 1 ATOM 1599 O OD1 . ASP 36 3716 ? B -8.694 -5.434 16.180 1.000 2 B 89.797 1 ATOM 1600 O OD2 . ASP 36 3716 ? B -7.985 -7.354 16.965 1.000 2 B 89.797 1 ATOM 1601 N N . ALA 37 3717 ? B -5.688 -3.123 19.715 1.000 2 B 89.435 1 ATOM 1602 C CA . ALA 37 3717 ? B -5.346 -2.531 21.006 1.000 2 B 89.435 1 ATOM 1603 C C . ALA 37 3717 ? B -5.181 -1.018 20.888 1.000 2 B 89.435 1 ATOM 1604 O O . ALA 37 3717 ? B -5.706 -0.264 21.711 1.000 2 B 89.435 1 ATOM 1605 C CB . ALA 37 3717 ? B -4.070 -3.160 21.559 1.000 2 B 89.435 1 ATOM 1606 N N . THR 38 3718 ? B -4.513 -0.552 19.833 1.000 2 B 90.757 1 ATOM 1607 C CA . THR 38 3718 ? B -4.119 0.849 19.744 1.000 2 B 90.757 1 ATOM 1608 C C . THR 38 3718 ? B -5.008 1.599 18.755 1.000 2 B 90.757 1 ATOM 1609 O O . THR 38 3718 ? B -5.155 2.819 18.846 1.000 2 B 90.757 1 ATOM 1610 C CB . THR 38 3718 ? B -2.645 0.989 19.322 1.000 2 B 90.757 1 ATOM 1611 O OG1 . THR 38 3718 ? B -2.478 0.453 18.004 1.000 2 B 90.757 1 ATOM 1612 C CG2 . THR 38 3718 ? B -1.725 0.243 20.282 1.000 2 B 90.757 1 ATOM 1613 N N . GLY 39 3719 ? B -5.643 0.878 17.789 1.000 2 B 90.584 1 ATOM 1614 C CA . GLY 39 3719 ? B -6.408 1.513 16.728 1.000 2 B 90.584 1 ATOM 1615 C C . GLY 39 3719 ? B -5.539 2.065 15.614 1.000 2 B 90.584 1 ATOM 1616 O O . GLY 39 3719 ? B -6.037 2.725 14.700 1.000 2 B 90.584 1 ATOM 1617 N N . ASP 40 3720 ? B -4.243 1.805 15.722 1.000 2 B 93.466 1 ATOM 1618 C CA . ASP 40 3720 ? B -3.300 2.270 14.709 1.000 2 B 93.466 1 ATOM 1619 C C . ASP 40 3720 ? B -3.181 1.265 13.566 1.000 2 B 93.466 1 ATOM 1620 O O . ASP 40 3720 ? B -3.467 0.079 13.743 1.000 2 B 93.466 1 ATOM 1621 C CB . ASP 40 3720 ? B -1.926 2.524 15.332 1.000 2 B 93.466 1 ATOM 1622 C CG . ASP 40 3720 ? B -1.918 3.699 16.293 1.000 2 B 93.466 1 ATOM 1623 O OD1 . ASP 40 3720 ? B -2.758 4.613 16.146 1.000 2 B 93.466 1 ATOM 1624 O OD2 . ASP 40 3720 ? B -1.061 3.714 17.203 1.000 2 B 93.466 1 ATOM 1625 N N . LEU 41 3721 ? B -2.758 1.820 12.386 1.000 2 B 95.073 1 ATOM 1626 C CA . LEU 41 3721 ? B -2.466 0.934 11.264 1.000 2 B 95.073 1 ATOM 1627 C C . LEU 41 3721 ? B -1.230 0.086 11.548 1.000 2 B 95.073 1 ATOM 1628 O O . LEU 41 3721 ? B -0.186 0.615 11.936 1.000 2 B 95.073 1 ATOM 1629 C CB . LEU 41 3721 ? B -2.261 1.743 9.981 1.000 2 B 95.073 1 ATOM 1630 C CG . LEU 41 3721 ? B -3.461 2.555 9.492 1.000 2 B 95.073 1 ATOM 1631 C CD1 . LEU 41 3721 ? B -3.077 3.389 8.275 1.000 2 B 95.073 1 ATOM 1632 C CD2 . LEU 41 3721 ? B -4.633 1.635 9.168 1.000 2 B 95.073 1 ATOM 1633 N N . ASP 42 3722 ? B -1.432 -1.199 11.532 1.000 2 B 91.052 1 ATOM 1634 C CA . ASP 42 3722 ? B -0.349 -2.131 11.828 1.000 2 B 91.052 1 ATOM 1635 C C . ASP 42 3722 ? B 0.611 -2.252 10.646 1.000 2 B 91.052 1 ATOM 1636 O O . ASP 42 3722 ? B 0.195 -2.578 9.533 1.000 2 B 91.052 1 ATOM 1637 C CB . ASP 42 3722 ? B -0.910 -3.507 12.192 1.000 2 B 91.052 1 ATOM 1638 C CG . ASP 42 3722 ? B 0.146 -4.454 12.736 1.000 2 B 91.052 1 ATOM 1639 O OD1 . ASP 42 3722 ? B 1.294 -4.017 12.971 1.000 2 B 91.052 1 ATOM 1640 O OD2 . ASP 42 3722 ? B -0.171 -5.647 12.928 1.000 2 B 91.052 1 ATOM 1641 N N . ALA 43 3723 ? B 1.945 -1.947 10.903 1.000 2 B 85.081 1 ATOM 1642 C CA . ALA 43 3723 ? B 2.941 -2.017 9.837 1.000 2 B 85.081 1 ATOM 1643 C C . ALA 43 3723 ? B 4.036 -3.025 10.175 1.000 2 B 85.081 1 ATOM 1644 O O . ALA 43 3723 ? B 4.985 -3.201 9.407 1.000 2 B 85.081 1 ATOM 1645 C CB . ALA 43 3723 ? B 3.549 -0.640 9.585 1.000 2 B 85.081 1 ATOM 1646 N N . ASN 44 3724 ? B 3.974 -3.701 11.340 1.000 2 B 86.068 1 ATOM 1647 C CA . ASN 44 3724 ? B 5.102 -4.492 11.821 1.000 2 B 86.068 1 ATOM 1648 C C . ASN 44 3724 ? B 5.026 -5.934 11.326 1.000 2 B 86.068 1 ATOM 1649 O O . ASN 44 3724 ? B 4.659 -6.836 12.082 1.000 2 B 86.068 1 ATOM 1650 C CB . ASN 44 3724 ? B 5.169 -4.458 13.349 1.000 2 B 86.068 1 ATOM 1651 C CG . ASN 44 3724 ? B 5.449 -3.070 13.891 1.000 2 B 86.068 1 ATOM 1652 O OD1 . ASN 44 3724 ? B 6.158 -2.278 13.265 1.000 2 B 86.068 1 ATOM 1653 N ND2 . ASN 44 3724 ? B 4.893 -2.766 15.057 1.000 2 B 86.068 1 ATOM 1654 N N . ARG 45 3725 ? B 5.393 -6.061 9.943 1.000 2 B 88.571 1 ATOM 1655 C CA . ARG 45 3725 ? B 5.445 -7.412 9.395 1.000 2 B 88.571 1 ATOM 1656 C C . ARG 45 3725 ? B 6.798 -7.689 8.748 1.000 2 B 88.571 1 ATOM 1657 O O . ARG 45 3725 ? B 7.382 -6.806 8.116 1.000 2 B 88.571 1 ATOM 1658 C CB . ARG 45 3725 ? B 4.323 -7.622 8.375 1.000 2 B 88.571 1 ATOM 1659 C CG . ARG 45 3725 ? B 2.938 -7.290 8.906 1.000 2 B 88.571 1 ATOM 1660 C CD . ARG 45 3725 ? B 1.871 -7.439 7.830 1.000 2 B 88.571 1 ATOM 1661 N NE . ARG 45 3725 ? B 0.708 -6.601 8.105 1.000 2 B 88.571 1 ATOM 1662 C CZ . ARG 45 3725 ? B -0.425 -7.032 8.653 1.000 2 B 88.571 1 ATOM 1663 N NH1 . ARG 45 3725 ? B -0.569 -8.307 8.997 1.000 2 B 88.571 1 ATOM 1664 N NH2 . ARG 45 3725 ? B -1.421 -6.183 8.859 1.000 2 B 88.571 1 ATOM 1665 N N . PRO 46 3726 ? B 7.187 -8.936 9.033 1.000 2 B 91.311 1 ATOM 1666 C CA . PRO 46 3726 ? B 8.479 -9.275 8.434 1.000 2 B 91.311 1 ATOM 1667 C C . PRO 46 3726 ? B 8.474 -9.153 6.911 1.000 2 B 91.311 1 ATOM 1668 O O . PRO 46 3726 ? B 9.463 -8.713 6.320 1.000 2 B 91.311 1 ATOM 1669 C CB . PRO 46 3726 ? B 8.697 -10.728 8.864 1.000 2 B 91.311 1 ATOM 1670 C CG . PRO 46 3726 ? B 7.890 -10.882 10.112 1.000 2 B 91.311 1 ATOM 1671 C CD . PRO 46 3726 ? B 6.684 -9.992 10.014 1.000 2 B 91.311 1 ATOM 1672 N N . VAL 47 3727 ? B 7.340 -9.473 6.288 1.000 2 B 92.506 1 ATOM 1673 C CA . VAL 47 3727 ? B 7.196 -9.356 4.841 1.000 2 B 92.506 1 ATOM 1674 C C . VAL 47 3727 ? B 6.246 -8.207 4.508 1.000 2 B 92.506 1 ATOM 1675 O O . VAL 47 3727 ? B 5.064 -8.249 4.857 1.000 2 B 92.506 1 ATOM 1676 C CB . VAL 47 3727 ? B 6.682 -10.671 4.213 1.000 2 B 92.506 1 ATOM 1677 C CG1 . VAL 47 3727 ? B 6.553 -10.531 2.697 1.000 2 B 92.506 1 ATOM 1678 C CG2 . VAL 47 3727 ? B 7.611 -11.830 4.569 1.000 2 B 92.506 1 ATOM 1679 N N . PRO 48 3728 ? B 6.743 -7.173 3.787 1.000 2 B 92.858 1 ATOM 1680 C CA . PRO 48 3728 ? B 5.974 -5.946 3.563 1.000 2 B 92.858 1 ATOM 1681 C C . PRO 48 3728 ? B 4.781 -6.160 2.635 1.000 2 B 92.858 1 ATOM 1682 O O . PRO 48 3728 ? B 3.772 -5.460 2.749 1.000 2 B 92.858 1 ATOM 1683 C CB . PRO 48 3728 ? B 6.997 -5.000 2.928 1.000 2 B 92.858 1 ATOM 1684 C CG . PRO 48 3728 ? B 8.050 -5.899 2.364 1.000 2 B 92.858 1 ATOM 1685 C CD . PRO 48 3728 ? B 8.151 -7.119 3.233 1.000 2 B 92.858 1 ATOM 1686 N N . PHE 49 3729 ? B 4.850 -6.989 1.684 1.000 2 B 91.906 1 ATOM 1687 C CA . PHE 49 3729 ? B 3.757 -7.354 0.790 1.000 2 B 91.906 1 ATOM 1688 C C . PHE 49 3729 ? B 4.009 -8.716 0.155 1.000 2 B 91.906 1 ATOM 1689 O O . PHE 49 3729 ? B 5.139 -9.211 0.161 1.000 2 B 91.906 1 ATOM 1690 C CB . PHE 49 3729 ? B 3.575 -6.293 -0.300 1.000 2 B 91.906 1 ATOM 1691 C CG . PHE 49 3729 ? B 4.774 -6.129 -1.194 1.000 2 B 91.906 1 ATOM 1692 C CD1 . PHE 49 3729 ? B 5.782 -5.229 -0.872 1.000 2 B 91.906 1 ATOM 1693 C CD2 . PHE 49 3729 ? B 4.892 -6.876 -2.359 1.000 2 B 91.906 1 ATOM 1694 C CE1 . PHE 49 3729 ? B 6.893 -5.076 -1.698 1.000 2 B 91.906 1 ATOM 1695 C CE2 . PHE 49 3729 ? B 5.999 -6.729 -3.190 1.000 2 B 91.906 1 ATOM 1696 C CZ . PHE 49 3729 ? B 6.998 -5.827 -2.858 1.000 2 B 91.906 1 ATOM 1697 N N . ARG 50 3730 ? B 2.957 -9.324 -0.358 1.000 2 B 89.186 1 ATOM 1698 C CA . ARG 50 3730 ? B 3.038 -10.694 -0.856 1.000 2 B 89.186 1 ATOM 1699 C C . ARG 50 3730 ? B 3.722 -10.741 -2.218 1.000 2 B 89.186 1 ATOM 1700 O O . ARG 50 3730 ? B 3.206 -10.198 -3.197 1.000 2 B 89.186 1 ATOM 1701 C CB . ARG 50 3730 ? B 1.643 -11.316 -0.948 1.000 2 B 89.186 1 ATOM 1702 C CG . ARG 50 3730 ? B 1.648 -12.780 -1.358 1.000 2 B 89.186 1 ATOM 1703 C CD . ARG 50 3730 ? B 0.258 -13.394 -1.271 1.000 2 B 89.186 1 ATOM 1704 N NE . ARG 50 3730 ? B 0.304 -14.850 -1.382 1.000 2 B 89.186 1 ATOM 1705 C CZ . ARG 50 3730 ? B -0.720 -15.614 -1.750 1.000 2 B 89.186 1 ATOM 1706 N NH1 . ARG 50 3730 ? B -1.896 -15.075 -2.050 1.000 2 B 89.186 1 ATOM 1707 N NH2 . ARG 50 3730 ? B -0.569 -16.929 -1.818 1.000 2 B 89.186 1 ATOM 1708 N N . LEU 51 3731 ? B 4.943 -11.170 -2.305 1.000 2 B 90.457 1 ATOM 1709 C CA . LEU 51 3731 ? B 5.741 -11.527 -3.472 1.000 2 B 90.457 1 ATOM 1710 C C . LEU 51 3731 ? B 6.356 -12.913 -3.307 1.000 2 B 90.457 1 ATOM 1711 O O . LEU 51 3731 ? B 7.550 -13.037 -3.025 1.000 2 B 90.457 1 ATOM 1712 C CB . LEU 51 3731 ? B 6.844 -10.491 -3.705 1.000 2 B 90.457 1 ATOM 1713 C CG . LEU 51 3731 ? B 7.648 -10.635 -4.999 1.000 2 B 90.457 1 ATOM 1714 C CD1 . LEU 51 3731 ? B 6.728 -10.517 -6.210 1.000 2 B 90.457 1 ATOM 1715 C CD2 . LEU 51 3731 ? B 8.757 -9.591 -5.058 1.000 2 B 90.457 1 ATOM 1716 N N . THR 52 3732 ? B 5.481 -13.916 -3.368 1.000 2 B 86.953 1 ATOM 1717 C CA . THR 52 3732 ? B 5.864 -15.307 -3.158 1.000 2 B 86.953 1 ATOM 1718 C C . THR 52 3732 ? B 6.806 -15.782 -4.260 1.000 2 B 86.953 1 ATOM 1719 O O . THR 52 3732 ? B 6.859 -15.186 -5.338 1.000 2 B 86.953 1 ATOM 1720 C CB . THR 52 3732 ? B 4.628 -16.225 -3.104 1.000 2 B 86.953 1 ATOM 1721 O OG1 . THR 52 3732 ? B 3.960 -16.190 -4.371 1.000 2 B 86.953 1 ATOM 1722 C CG2 . THR 52 3732 ? B 3.657 -15.777 -2.017 1.000 2 B 86.953 1 ATOM 1723 N N . PRO 53 3733 ? B 7.604 -16.756 -3.985 1.000 2 B 87.872 1 ATOM 1724 C CA . PRO 53 3733 ? B 8.470 -17.313 -5.027 1.000 2 B 87.872 1 ATOM 1725 C C . PRO 53 3733 ? B 7.706 -17.671 -6.300 1.000 2 B 87.872 1 ATOM 1726 O O . PRO 53 3733 ? B 8.219 -17.481 -7.406 1.000 2 B 87.872 1 ATOM 1727 C CB . PRO 53 3733 ? B 9.051 -18.567 -4.369 1.000 2 B 87.872 1 ATOM 1728 C CG . PRO 53 3733 ? B 9.086 -18.251 -2.908 1.000 2 B 87.872 1 ATOM 1729 C CD . PRO 53 3733 ? B 7.863 -17.451 -2.564 1.000 2 B 87.872 1 ATOM 1730 N N . ASN 54 3734 ? B 6.487 -18.123 -6.199 1.000 2 B 87.254 1 ATOM 1731 C CA . ASN 54 3734 ? B 5.685 -18.474 -7.366 1.000 2 B 87.254 1 ATOM 1732 C C . ASN 54 3734 ? B 5.311 -17.239 -8.181 1.000 2 B 87.254 1 ATOM 1733 O O . ASN 54 3734 ? B 5.376 -17.259 -9.411 1.000 2 B 87.254 1 ATOM 1734 C CB . ASN 54 3734 ? B 4.426 -19.234 -6.944 1.000 2 B 87.254 1 ATOM 1735 C CG . ASN 54 3734 ? B 4.728 -20.631 -6.440 1.000 2 B 87.254 1 ATOM 1736 O OD1 . ASN 54 3734 ? B 5.765 -21.212 -6.770 1.000 2 B 87.254 1 ATOM 1737 N ND2 . ASN 54 3734 ? B 3.825 -21.179 -5.636 1.000 2 B 87.254 1 ATOM 1738 N N . ILE 55 3735 ? B 4.882 -16.148 -7.410 1.000 2 B 88.920 1 ATOM 1739 C CA . ILE 55 3735 ? B 4.532 -14.906 -8.090 1.000 2 B 88.920 1 ATOM 1740 C C . ILE 55 3735 ? B 5.779 -14.299 -8.729 1.000 2 B 88.920 1 ATOM 1741 O O . ILE 55 3735 ? B 5.737 -13.840 -9.873 1.000 2 B 88.920 1 ATOM 1742 C CB . ILE 55 3735 ? B 3.880 -13.895 -7.121 1.000 2 B 88.920 1 ATOM 1743 C CG1 . ILE 55 3735 ? B 2.543 -14.437 -6.604 1.000 2 B 88.920 1 ATOM 1744 C CG2 . ILE 55 3735 ? B 3.693 -12.537 -7.804 1.000 2 B 88.920 1 ATOM 1745 C CD1 . ILE 55 3735 ? B 1.890 -13.563 -5.542 1.000 2 B 88.920 1 ATOM 1746 N N . SER 56 3736 ? B 6.854 -14.401 -7.970 1.000 2 B 91.283 1 ATOM 1747 C CA . SER 56 3736 ? B 8.106 -13.867 -8.495 1.000 2 B 91.283 1 ATOM 1748 C C . SER 56 3736 ? B 8.556 -14.631 -9.736 1.000 2 B 91.283 1 ATOM 1749 O O . SER 56 3736 ? B 9.036 -14.032 -10.700 1.000 2 B 91.283 1 ATOM 1750 C CB . SER 56 3736 ? B 9.201 -13.920 -7.429 1.000 2 B 91.283 1 ATOM 1751 O OG . SER 56 3736 ? B 10.417 -13.393 -7.930 1.000 2 B 91.283 1 ATOM 1752 N N . GLU 57 3737 ? B 8.386 -15.963 -9.667 1.000 2 B 92.106 1 ATOM 1753 C CA . GLU 57 3737 ? B 8.723 -16.790 -10.822 1.000 2 B 92.106 1 ATOM 1754 C C . GLU 57 3737 ? B 7.832 -16.460 -12.016 1.000 2 B 92.106 1 ATOM 1755 O O . GLU 57 3737 ? B 8.304 -16.404 -13.153 1.000 2 B 92.106 1 ATOM 1756 C CB . GLU 57 3737 ? B 8.606 -18.275 -10.473 1.000 2 B 92.106 1 ATOM 1757 C CG . GLU 57 3737 ? B 9.087 -19.206 -11.576 1.000 2 B 92.106 1 ATOM 1758 C CD . GLU 57 3737 ? B 9.045 -20.675 -11.184 1.000 2 B 92.106 1 ATOM 1759 O OE1 . GLU 57 3737 ? B 9.381 -21.538 -12.026 1.000 2 B 92.106 1 ATOM 1760 O OE2 . GLU 57 3737 ? B 8.671 -20.964 -10.025 1.000 2 B 92.106 1 ATOM 1761 N N . PHE 58 3738 ? B 6.549 -16.282 -11.752 1.000 2 B 90.128 1 ATOM 1762 C CA . PHE 58 3738 ? B 5.591 -15.931 -12.794 1.000 2 B 90.128 1 ATOM 1763 C C . PHE 58 3738 ? B 5.961 -14.604 -13.445 1.000 2 B 90.128 1 ATOM 1764 O O . PHE 58 3738 ? B 5.920 -14.475 -14.671 1.000 2 B 90.128 1 ATOM 1765 C CB . PHE 58 3738 ? B 4.173 -15.857 -12.219 1.000 2 B 90.128 1 ATOM 1766 C CG . PHE 58 3738 ? B 3.133 -15.434 -13.221 1.000 2 B 90.128 1 ATOM 1767 C CD1 . PHE 58 3738 ? B 2.547 -14.176 -13.146 1.000 2 B 90.128 1 ATOM 1768 C CD2 . PHE 58 3738 ? B 2.741 -16.295 -14.238 1.000 2 B 90.128 1 ATOM 1769 C CE1 . PHE 58 3738 ? B 1.584 -13.782 -14.073 1.000 2 B 90.128 1 ATOM 1770 C CE2 . PHE 58 3738 ? B 1.780 -15.908 -15.167 1.000 2 B 90.128 1 ATOM 1771 C CZ . PHE 58 3738 ? B 1.202 -14.652 -15.082 1.000 2 B 90.128 1 ATOM 1772 N N . LEU 59 3739 ? B 6.366 -13.640 -12.749 1.000 2 B 92.545 1 ATOM 1773 C CA . LEU 59 3739 ? B 6.732 -12.317 -13.242 1.000 2 B 92.545 1 ATOM 1774 C C . LEU 59 3739 ? B 8.132 -12.331 -13.848 1.000 2 B 92.545 1 ATOM 1775 O O . LEU 59 3739 ? B 8.424 -11.560 -14.765 1.000 2 B 92.545 1 ATOM 1776 C CB . LEU 59 3739 ? B 6.662 -11.286 -12.113 1.000 2 B 92.545 1 ATOM 1777 C CG . LEU 59 3739 ? B 5.268 -10.971 -11.568 1.000 2 B 92.545 1 ATOM 1778 C CD1 . LEU 59 3739 ? B 5.363 -9.985 -10.409 1.000 2 B 92.545 1 ATOM 1779 C CD2 . LEU 59 3739 ? B 4.373 -10.422 -12.673 1.000 2 B 92.545 1 ATOM 1780 N N . THR 60 3740 ? B 8.982 -13.232 -13.463 1.000 2 B 95.381 1 ATOM 1781 C CA . THR 60 3740 ? B 10.376 -13.356 -13.876 1.000 2 B 95.381 1 ATOM 1782 C C . THR 60 3740 ? B 11.241 -12.309 -13.180 1.000 2 B 95.381 1 ATOM 1783 O O . THR 60 3740 ? B 10.725 -11.321 -12.653 1.000 2 B 95.381 1 ATOM 1784 C CB . THR 60 3740 ? B 10.521 -13.214 -15.402 1.000 2 B 95.381 1 ATOM 1785 O OG1 . THR 60 3740 ? B 10.177 -11.877 -15.786 1.000 2 B 95.381 1 ATOM 1786 C CG2 . THR 60 3740 ? B 9.609 -14.192 -16.135 1.000 2 B 95.381 1 ATOM 1787 N N . THR 61 3741 ? B 12.431 -12.562 -13.068 1.000 2 B 93.869 1 ATOM 1788 C CA . THR 61 3741 ? B 13.383 -11.674 -12.410 1.000 2 B 93.869 1 ATOM 1789 C C . THR 61 3741 ? B 13.405 -10.307 -13.089 1.000 2 B 93.869 1 ATOM 1790 O O . THR 61 3741 ? B 13.433 -9.275 -12.416 1.000 2 B 93.869 1 ATOM 1791 C CB . THR 61 3741 ? B 14.801 -12.274 -12.412 1.000 2 B 93.869 1 ATOM 1792 O OG1 . THR 61 3741 ? B 14.778 -13.543 -11.746 1.000 2 B 93.869 1 ATOM 1793 C CG2 . THR 61 3741 ? B 15.788 -11.356 -11.698 1.000 2 B 93.869 1 ATOM 1794 N N . ILE 62 3742 ? B 13.378 -10.339 -14.442 1.000 2 B 94.735 1 ATOM 1795 C CA . ILE 62 3742 ? B 13.386 -9.101 -15.213 1.000 2 B 94.735 1 ATOM 1796 C C . ILE 62 3742 ? B 12.076 -8.347 -14.994 1.000 2 B 94.735 1 ATOM 1797 O O . ILE 62 3742 ? B 12.069 -7.118 -14.895 1.000 2 B 94.735 1 ATOM 1798 C CB . ILE 62 3742 ? B 13.601 -9.374 -16.719 1.000 2 B 94.735 1 ATOM 1799 C CG1 . ILE 62 3742 ? B 14.957 -10.050 -16.951 1.000 2 B 94.735 1 ATOM 1800 C CG2 . ILE 62 3742 ? B 13.491 -8.076 -17.525 1.000 2 B 94.735 1 ATOM 1801 C CD1 . ILE 62 3742 ? B 15.164 -10.553 -18.373 1.000 2 B 94.735 1 ATOM 1802 N N . GLY 63 3743 ? B 11.047 -9.028 -14.865 1.000 2 B 94.676 1 ATOM 1803 C CA . GLY 63 3743 ? B 9.750 -8.413 -14.632 1.000 2 B 94.676 1 ATOM 1804 C C . GLY 63 3743 ? B 9.636 -7.758 -13.269 1.000 2 B 94.676 1 ATOM 1805 O O . GLY 63 3743 ? B 9.024 -6.696 -13.134 1.000 2 B 94.676 1 ATOM 1806 N N . VAL 64 3744 ? B 10.278 -8.374 -12.285 1.000 2 B 94.664 1 ATOM 1807 C CA . VAL 64 3744 ? B 10.239 -7.860 -10.919 1.000 2 B 94.664 1 ATOM 1808 C C . VAL 64 3744 ? B 11.130 -6.625 -10.806 1.000 2 B 94.664 1 ATOM 1809 O O . VAL 64 3744 ? B 10.716 -5.602 -10.254 1.000 2 B 94.664 1 ATOM 1810 C CB . VAL 64 3744 ? B 10.680 -8.931 -9.897 1.000 2 B 94.664 1 ATOM 1811 C CG1 . VAL 64 3744 ? B 10.829 -8.320 -8.505 1.000 2 B 94.664 1 ATOM 1812 C CG2 . VAL 64 3744 ? B 9.682 -10.088 -9.873 1.000 2 B 94.664 1 ATOM 1813 N N . SER 65 3745 ? B 12.374 -6.658 -11.315 1.000 2 B 91.442 1 ATOM 1814 C CA . SER 65 3745 ? B 13.332 -5.563 -11.204 1.000 2 B 91.442 1 ATOM 1815 C C . SER 65 3745 ? B 13.011 -4.446 -12.192 1.000 2 B 91.442 1 ATOM 1816 O O . SER 65 3745 ? B 13.505 -3.325 -12.052 1.000 2 B 91.442 1 ATOM 1817 C CB . SER 65 3745 ? B 14.755 -6.070 -11.439 1.000 2 B 91.442 1 ATOM 1818 O OG . SER 65 3745 ? B 14.885 -6.623 -12.737 1.000 2 B 91.442 1 ATOM 1819 N N . GLY 66 3746 ? B 12.152 -4.746 -13.158 1.000 2 B 91.878 1 ATOM 1820 C CA . GLY 66 3746 ? B 11.832 -3.772 -14.190 1.000 2 B 91.878 1 ATOM 1821 C C . GLY 66 3746 ? B 10.436 -3.195 -14.053 1.000 2 B 91.878 1 ATOM 1822 O O . GLY 66 3746 ? B 10.198 -2.325 -13.213 1.000 2 B 91.878 1 ATOM 1823 N N . PRO 67 3747 ? B 9.499 -3.869 -14.730 1.000 2 B 93.200 1 ATOM 1824 C CA . PRO 67 3747 ? B 8.141 -3.326 -14.804 1.000 2 B 93.200 1 ATOM 1825 C C . PRO 67 3747 ? B 7.472 -3.221 -13.435 1.000 2 B 93.200 1 ATOM 1826 O O . PRO 67 3747 ? B 6.809 -2.223 -13.142 1.000 2 B 93.200 1 ATOM 1827 C CB . PRO 67 3747 ? B 7.407 -4.332 -15.694 1.000 2 B 93.200 1 ATOM 1828 C CG . PRO 67 3747 ? B 8.466 -4.901 -16.582 1.000 2 B 93.200 1 ATOM 1829 C CD . PRO 67 3747 ? B 9.743 -5.002 -15.797 1.000 2 B 93.200 1 ATOM 1830 N N . LEU 68 3748 ? B 7.638 -4.204 -12.627 1.000 2 B 93.243 1 ATOM 1831 C CA . LEU 68 3748 ? B 6.993 -4.167 -11.319 1.000 2 B 93.243 1 ATOM 1832 C C . LEU 68 3748 ? B 7.491 -2.981 -10.500 1.000 2 B 93.243 1 ATOM 1833 O O . LEU 68 3748 ? B 6.690 -2.215 -9.959 1.000 2 B 93.243 1 ATOM 1834 C CB . LEU 68 3748 ? B 7.251 -5.471 -10.558 1.000 2 B 93.243 1 ATOM 1835 C CG . LEU 68 3748 ? B 6.693 -5.547 -9.136 1.000 2 B 93.243 1 ATOM 1836 C CD1 . LEU 68 3748 ? B 5.171 -5.446 -9.157 1.000 2 B 93.243 1 ATOM 1837 C CD2 . LEU 68 3748 ? B 7.139 -6.836 -8.454 1.000 2 B 93.243 1 ATOM 1838 N N . THR 69 3749 ? B 8.855 -2.832 -10.392 1.000 2 B 93.717 1 ATOM 1839 C CA . THR 69 3749 ? B 9.451 -1.751 -9.614 1.000 2 B 93.717 1 ATOM 1840 C C . THR 69 3749 ? B 9.103 -0.394 -10.219 1.000 2 B 93.717 1 ATOM 1841 O O . THR 69 3749 ? B 8.743 0.539 -9.499 1.000 2 B 93.717 1 ATOM 1842 C CB . THR 69 3749 ? B 10.981 -1.902 -9.530 1.000 2 B 93.717 1 ATOM 1843 O OG1 . THR 69 3749 ? B 11.299 -3.163 -8.928 1.000 2 B 93.717 1 ATOM 1844 C CG2 . THR 69 3749 ? B 11.599 -0.784 -8.697 1.000 2 B 93.717 1 ATOM 1845 N N . ALA 70 3750 ? B 9.205 -0.258 -11.538 1.000 2 B 92.881 1 ATOM 1846 C CA . ALA 70 3750 ? B 8.907 0.997 -12.223 1.000 2 B 92.881 1 ATOM 1847 C C . ALA 70 3750 ? B 7.449 1.399 -12.021 1.000 2 B 92.881 1 ATOM 1848 O O . ALA 70 3750 ? B 7.150 2.570 -11.775 1.000 2 B 92.881 1 ATOM 1849 C CB . ALA 70 3750 ? B 9.223 0.879 -13.712 1.000 2 B 92.881 1 ATOM 1850 N N . SER 71 3751 ? B 6.546 0.426 -12.133 1.000 2 B 93.803 1 ATOM 1851 C CA . SER 71 3751 ? B 5.125 0.709 -11.963 1.000 2 B 93.803 1 ATOM 1852 C C . SER 71 3751 ? B 4.811 1.116 -10.527 1.000 2 B 93.803 1 ATOM 1853 O O . SER 71 3751 ? B 3.997 2.012 -10.294 1.000 2 B 93.803 1 ATOM 1854 C CB . SER 71 3751 ? B 4.285 -0.508 -12.352 1.000 2 B 93.803 1 ATOM 1855 O OG . SER 71 3751 ? B 4.630 -1.632 -11.559 1.000 2 B 93.803 1 ATOM 1856 N N . MET 72 3752 ? B 5.482 0.509 -9.543 1.000 2 B 95.305 1 ATOM 1857 C CA . MET 72 3752 ? B 5.277 0.870 -8.143 1.000 2 B 95.305 1 ATOM 1858 C C . MET 72 3752 ? B 5.711 2.309 -7.883 1.000 2 B 95.305 1 ATOM 1859 O O . MET 72 3752 ? B 5.009 3.061 -7.205 1.000 2 B 95.305 1 ATOM 1860 C CB . MET 72 3752 ? B 6.044 -0.081 -7.224 1.000 2 B 95.305 1 ATOM 1861 C CG . MET 72 3752 ? B 5.422 -1.464 -7.115 1.000 2 B 95.305 1 ATOM 1862 S SD . MET 72 3752 ? B 6.388 -2.587 -6.033 1.000 2 B 95.305 1 ATOM 1863 C CE . MET 72 3752 ? B 5.973 -1.899 -4.406 1.000 2 B 95.305 1 ATOM 1864 N N . ILE 73 3753 ? B 6.822 2.703 -8.452 1.000 2 B 94.506 1 ATOM 1865 C CA . ILE 73 3753 ? B 7.343 4.054 -8.278 1.000 2 B 94.506 1 ATOM 1866 C C . ILE 73 3753 ? B 6.405 5.058 -8.944 1.000 2 B 94.506 1 ATOM 1867 O O . ILE 73 3753 ? B 6.083 6.097 -8.362 1.000 2 B 94.506 1 ATOM 1868 C CB . ILE 73 3753 ? B 8.770 4.188 -8.856 1.000 2 B 94.506 1 ATOM 1869 C CG1 . ILE 73 3753 ? B 9.752 3.320 -8.061 1.000 2 B 94.506 1 ATOM 1870 C CG2 . ILE 73 3753 ? B 9.214 5.654 -8.862 1.000 2 B 94.506 1 ATOM 1871 C CD1 . ILE 73 3753 ? B 11.119 3.175 -8.715 1.000 2 B 94.506 1 ATOM 1872 N N . ALA 74 3754 ? B 6.006 4.736 -10.182 1.000 2 B 93.724 1 ATOM 1873 C CA . ALA 74 3754 ? B 5.115 5.613 -10.937 1.000 2 B 93.724 1 ATOM 1874 C C . ALA 74 3754 ? B 3.812 5.853 -10.180 1.000 2 B 93.724 1 ATOM 1875 O O . ALA 74 3754 ? B 3.340 6.989 -10.087 1.000 2 B 93.724 1 ATOM 1876 C CB . ALA 74 3754 ? B 4.826 5.020 -12.313 1.000 2 B 93.724 1 ATOM 1877 N N . VAL 75 3755 ? B 3.271 4.748 -9.603 1.000 2 B 95.012 1 ATOM 1878 C CA . VAL 75 3755 ? B 2.016 4.854 -8.866 1.000 2 B 95.012 1 ATOM 1879 C C . VAL 75 3755 ? B 2.224 5.697 -7.609 1.000 2 B 95.012 1 ATOM 1880 O O . VAL 75 3755 ? B 1.399 6.555 -7.286 1.000 2 B 95.012 1 ATOM 1881 C CB . VAL 75 3755 ? B 1.459 3.463 -8.489 1.000 2 B 95.012 1 ATOM 1882 C CG1 . VAL 75 3755 ? B 0.258 3.598 -7.553 1.000 2 B 95.012 1 ATOM 1883 C CG2 . VAL 75 3755 ? B 1.076 2.684 -9.746 1.000 2 B 95.012 1 ATOM 1884 N N . ALA 76 3756 ? B 3.312 5.505 -6.913 1.000 2 B 95.641 1 ATOM 1885 C CA . ALA 76 3756 ? B 3.623 6.282 -5.716 1.000 2 B 95.641 1 ATOM 1886 C C . ALA 76 3756 ? B 3.720 7.771 -6.038 1.000 2 B 95.641 1 ATOM 1887 O O . ALA 76 3756 ? B 3.178 8.606 -5.311 1.000 2 B 95.641 1 ATOM 1888 C CB . ALA 76 3756 ? B 4.924 5.791 -5.086 1.000 2 B 95.641 1 ATOM 1889 N N . ARG 77 3757 ? B 4.301 8.148 -7.155 1.000 2 B 93.297 1 ATOM 1890 C CA . ARG 77 3757 ? B 4.460 9.538 -7.568 1.000 2 B 93.297 1 ATOM 1891 C C . ARG 77 3757 ? B 3.112 10.167 -7.905 1.000 2 B 93.297 1 ATOM 1892 O O . ARG 77 3757 ? B 2.868 11.333 -7.587 1.000 2 B 93.297 1 ATOM 1893 C CB . ARG 77 3757 ? B 5.400 9.638 -8.772 1.000 2 B 93.297 1 ATOM 1894 C CG . ARG 77 3757 ? B 6.859 9.375 -8.437 1.000 2 B 93.297 1 ATOM 1895 C CD . ARG 77 3757 ? B 7.746 9.463 -9.671 1.000 2 B 93.297 1 ATOM 1896 N NE . ARG 77 3757 ? B 7.840 10.832 -10.171 1.000 2 B 93.297 1 ATOM 1897 C CZ . ARG 77 3757 ? B 8.578 11.211 -11.210 1.000 2 B 93.297 1 ATOM 1898 N NH1 . ARG 77 3757 ? B 9.305 10.326 -11.884 1.000 2 B 93.297 1 ATOM 1899 N NH2 . ARG 77 3757 ? B 8.591 12.483 -11.580 1.000 2 B 93.297 1 ATOM 1900 N N . CYS 78 3758 ? B 2.352 9.356 -8.512 1.000 2 B 93.667 1 ATOM 1901 C CA . CYS 78 3758 ? B 1.025 9.840 -8.872 1.000 2 B 93.667 1 ATOM 1902 C C . CYS 78 3758 ? B 0.207 10.167 -7.629 1.000 2 B 93.667 1 ATOM 1903 O O . CYS 78 3758 ? B -0.440 11.214 -7.563 1.000 2 B 93.667 1 ATOM 1904 C CB . CYS 78 3758 ? B 0.288 8.803 -9.720 1.000 2 B 93.667 1 ATOM 1905 S SG . CYS 78 3758 ? B -1.346 9.341 -10.270 1.000 2 B 93.667 1 ATOM 1906 N N . PHE 79 3759 ? B 0.279 9.330 -6.598 1.000 2 B 94.387 1 ATOM 1907 C CA . PHE 79 3759 ? B -0.520 9.506 -5.391 1.000 2 B 94.387 1 ATOM 1908 C C . PHE 79 3759 ? B 0.089 10.574 -4.490 1.000 2 B 94.387 1 ATOM 1909 O O . PHE 79 3759 ? B -0.608 11.167 -3.663 1.000 2 B 94.387 1 ATOM 1910 C CB . PHE 79 3759 ? B -0.642 8.183 -4.628 1.000 2 B 94.387 1 ATOM 1911 C CG . PHE 79 3759 ? B -1.648 7.232 -5.220 1.000 2 B 94.387 1 ATOM 1912 C CD1 . PHE 79 3759 ? B -2.631 7.690 -6.087 1.000 2 B 94.387 1 ATOM 1913 C CD2 . PHE 79 3759 ? B -1.609 5.879 -4.907 1.000 2 B 94.387 1 ATOM 1914 C CE1 . PHE 79 3759 ? B -3.563 6.812 -6.636 1.000 2 B 94.387 1 ATOM 1915 C CE2 . PHE 79 3759 ? B -2.537 4.996 -5.452 1.000 2 B 94.387 1 ATOM 1916 C CZ . PHE 79 3759 ? B -3.514 5.465 -6.315 1.000 2 B 94.387 1 ATOM 1917 N N . ALA 80 3760 ? B 1.326 10.866 -4.669 1.000 2 B 93.998 1 ATOM 1918 C CA . ALA 80 3760 ? B 2.018 11.822 -3.809 1.000 2 B 93.998 1 ATOM 1919 C C . ALA 80 3760 ? B 1.805 13.253 -4.296 1.000 2 B 93.998 1 ATOM 1920 O O . ALA 80 3760 ? B 2.102 14.211 -3.579 1.000 2 B 93.998 1 ATOM 1921 C CB . ALA 80 3760 ? B 3.510 11.501 -3.749 1.000 2 B 93.998 1 ATOM 1922 N N . GLN 81 3761 ? B 1.191 13.385 -5.464 1.000 2 B 92.226 1 ATOM 1923 C CA . GLN 81 3761 ? B 0.927 14.715 -6.001 1.000 2 B 92.226 1 ATOM 1924 C C . GLN 81 3761 ? B -0.177 15.417 -5.214 1.000 2 B 92.226 1 ATOM 1925 O O . GLN 81 3761 ? B -1.251 14.852 -5.003 1.000 2 B 92.226 1 ATOM 1926 C CB . GLN 81 3761 ? B 0.545 14.632 -7.480 1.000 2 B 92.226 1 ATOM 1927 C CG . GLN 81 3761 ? B 1.687 14.191 -8.385 1.000 2 B 92.226 1 ATOM 1928 C CD . GLN 81 3761 ? B 1.271 14.073 -9.840 1.000 2 B 92.226 1 ATOM 1929 O OE1 . GLN 81 3761 ? B 0.094 14.231 -10.177 1.000 2 B 92.226 1 ATOM 1930 N NE2 . GLN 81 3761 ? B 2.234 13.794 -10.711 1.000 2 B 92.226 1 ATOM 1931 N N . PRO 82 3762 ? B 0.067 16.537 -4.713 1.000 2 B 89.215 1 ATOM 1932 C CA . PRO 82 3762 ? B -0.909 17.256 -3.892 1.000 2 B 89.215 1 ATOM 1933 C C . PRO 82 3762 ? B -2.152 17.668 -4.677 1.000 2 B 89.215 1 ATOM 1934 O O . PRO 82 3762 ? B -3.192 17.965 -4.084 1.000 2 B 89.215 1 ATOM 1935 C CB . PRO 82 3762 ? B -0.132 18.486 -3.415 1.000 2 B 89.215 1 ATOM 1936 C CG . PRO 82 3762 ? B 0.962 18.659 -4.418 1.000 2 B 89.215 1 ATOM 1937 C CD . PRO 82 3762 ? B 1.332 17.307 -4.958 1.000 2 B 89.215 1 ATOM 1938 N N . ASN 83 3763 ? B -2.152 17.570 -6.029 1.000 2 B 89.256 1 ATOM 1939 C CA . ASN 83 3763 ? B -3.243 18.028 -6.884 1.000 2 B 89.256 1 ATOM 1940 C C . ASN 83 3763 ? B -4.429 17.069 -6.841 1.000 2 B 89.256 1 ATOM 1941 O O . ASN 83 3763 ? B -5.562 17.464 -7.123 1.000 2 B 89.256 1 ATOM 1942 C CB . ASN 83 3763 ? B -2.757 18.206 -8.324 1.000 2 B 89.256 1 ATOM 1943 C CG . ASN 83 3763 ? B -1.727 19.310 -8.461 1.000 2 B 89.256 1 ATOM 1944 O OD1 . ASN 83 3763 ? B -1.786 20.321 -7.757 1.000 2 B 89.256 1 ATOM 1945 N ND2 . ASN 83 3763 ? B -0.775 19.124 -9.368 1.000 2 B 89.256 1 ATOM 1946 N N . PHE 84 3764 ? B -4.141 15.853 -6.364 1.000 2 B 90.021 1 ATOM 1947 C CA . PHE 84 3764 ? B -5.189 14.841 -6.431 1.000 2 B 90.021 1 ATOM 1948 C C . PHE 84 3764 ? B -5.891 14.698 -5.085 1.000 2 B 90.021 1 ATOM 1949 O O . PHE 84 3764 ? B -6.808 13.888 -4.941 1.000 2 B 90.021 1 ATOM 1950 C CB . PHE 84 3764 ? B -4.608 13.492 -6.865 1.000 2 B 90.021 1 ATOM 1951 C CG . PHE 84 3764 ? B -3.995 13.509 -8.239 1.000 2 B 90.021 1 ATOM 1952 C CD1 . PHE 84 3764 ? B -4.731 13.932 -9.339 1.000 2 B 90.021 1 ATOM 1953 C CD2 . PHE 84 3764 ? B -2.681 13.102 -8.431 1.000 2 B 90.021 1 ATOM 1954 C CE1 . PHE 84 3764 ? B -4.165 13.950 -10.612 1.000 2 B 90.021 1 ATOM 1955 C CE2 . PHE 84 3764 ? B -2.109 13.117 -9.700 1.000 2 B 90.021 1 ATOM 1956 C CZ . PHE 84 3764 ? B -2.853 13.540 -10.789 1.000 2 B 90.021 1 ATOM 1957 N N . LYS 85 3765 ? B -5.547 15.492 -4.112 1.000 2 B 90.075 1 ATOM 1958 C CA . LYS 85 3765 ? B -6.187 15.532 -2.800 1.000 2 B 90.075 1 ATOM 1959 C C . LYS 85 3765 ? B -6.345 14.128 -2.223 1.000 2 B 90.075 1 ATOM 1960 O O . LYS 85 3765 ? B -7.414 13.775 -1.721 1.000 2 B 90.075 1 ATOM 1961 C CB . LYS 85 3765 ? B -7.551 16.218 -2.889 1.000 2 B 90.075 1 ATOM 1962 C CG . LYS 85 3765 ? B -7.490 17.654 -3.390 1.000 2 B 90.075 1 ATOM 1963 C CD . LYS 85 3765 ? B -8.863 18.314 -3.366 1.000 2 B 90.075 1 ATOM 1964 C CE . LYS 85 3765 ? B -8.793 19.769 -3.807 1.000 2 B 90.075 1 ATOM 1965 N NZ . LYS 85 3765 ? B -10.148 20.394 -3.873 1.000 2 B 90.075 1 ATOM 1966 N N . VAL 86 3766 ? B -5.366 13.283 -2.428 1.000 2 B 92.310 1 ATOM 1967 C CA . VAL 86 3766 ? B -5.390 11.905 -1.947 1.000 2 B 92.310 1 ATOM 1968 C C . VAL 86 3766 ? B -5.566 11.891 -0.430 1.000 2 B 92.310 1 ATOM 1969 O O . VAL 86 3766 ? B -6.262 11.029 0.112 1.000 2 B 92.310 1 ATOM 1970 C CB . VAL 86 3766 ? B -4.104 11.144 -2.341 1.000 2 B 92.310 1 ATOM 1971 C CG1 . VAL 86 3766 ? B -4.095 9.745 -1.727 1.000 2 B 92.310 1 ATOM 1972 C CG2 . VAL 86 3766 ? B -3.977 11.065 -3.861 1.000 2 B 92.310 1 ATOM 1973 N N . ASP 87 3767 ? B -5.017 12.877 0.193 1.000 2 B 92.954 1 ATOM 1974 C CA . ASP 87 3767 ? B -5.141 13.014 1.641 1.000 2 B 92.954 1 ATOM 1975 C C . ASP 87 3767 ? B -6.605 13.128 2.058 1.000 2 B 92.954 1 ATOM 1976 O O . ASP 87 3767 ? B -7.035 12.482 3.017 1.000 2 B 92.954 1 ATOM 1977 C CB . ASP 87 3767 ? B -4.358 14.233 2.133 1.000 2 B 92.954 1 ATOM 1978 C CG . ASP 87 3767 ? B -4.361 14.368 3.646 1.000 2 B 92.954 1 ATOM 1979 O OD1 . ASP 87 3767 ? B -5.439 14.597 4.236 1.000 2 B 92.954 1 ATOM 1980 O OD2 . ASP 87 3767 ? B -3.275 14.248 4.253 1.000 2 B 92.954 1 ATOM 1981 N N . GLY 88 3768 ? B -7.366 13.917 1.381 1.000 2 B 91.389 1 ATOM 1982 C CA . GLY 88 3768 ? B -8.784 14.085 1.659 1.000 2 B 91.389 1 ATOM 1983 C C . GLY 88 3768 ? B -9.587 12.815 1.454 1.000 2 B 91.389 1 ATOM 1984 O O . GLY 88 3768 ? B -10.451 12.482 2.267 1.000 2 B 91.389 1 ATOM 1985 N N . ILE 89 3769 ? B -9.251 12.087 0.338 1.000 2 B 91.546 1 ATOM 1986 C CA . ILE 89 3769 ? B -9.927 10.827 0.049 1.000 2 B 91.546 1 ATOM 1987 C C . ILE 89 3769 ? B -9.626 9.815 1.151 1.000 2 B 91.546 1 ATOM 1988 O O . ILE 89 3769 ? B -10.528 9.127 1.634 1.000 2 B 91.546 1 ATOM 1989 C CB . ILE 89 3769 ? B -9.506 10.263 -1.327 1.000 2 B 91.546 1 ATOM 1990 C CG1 . ILE 89 3769 ? B -9.937 11.215 -2.449 1.000 2 B 91.546 1 ATOM 1991 C CG2 . ILE 89 3769 ? B -10.092 8.864 -1.539 1.000 2 B 91.546 1 ATOM 1992 C CD1 . ILE 89 3769 ? B -9.354 10.868 -3.812 1.000 2 B 91.546 1 ATOM 1993 N N . LEU 90 3770 ? B -8.424 9.737 1.625 1.000 2 B 94.357 1 ATOM 1994 C CA . LEU 90 3770 ? B -8.010 8.814 2.675 1.000 2 B 94.357 1 ATOM 1995 C C . LEU 90 3770 ? B -8.734 9.118 3.983 1.000 2 B 94.357 1 ATOM 1996 O O . LEU 90 3770 ? B -9.136 8.201 4.702 1.000 2 B 94.357 1 ATOM 1997 C CB . LEU 90 3770 ? B -6.495 8.887 2.888 1.000 2 B 94.357 1 ATOM 1998 C CG . LEU 90 3770 ? B -5.626 8.291 1.780 1.000 2 B 94.357 1 ATOM 1999 C CD1 . LEU 90 3770 ? B -4.153 8.583 2.048 1.000 2 B 94.357 1 ATOM 2000 C CD2 . LEU 90 3770 ? B -5.866 6.790 1.660 1.000 2 B 94.357 1 ATOM 2001 N N . LYS 91 3771 ? B -8.922 10.429 4.268 1.000 2 B 94.219 1 ATOM 2002 C CA . LYS 91 3771 ? B -9.610 10.826 5.493 1.000 2 B 94.219 1 ATOM 2003 C C . LYS 91 3771 ? B -11.037 10.285 5.522 1.000 2 B 94.219 1 ATOM 2004 O O . LYS 91 3771 ? B -11.489 9.766 6.545 1.000 2 B 94.219 1 ATOM 2005 C CB . LYS 91 3771 ? B -9.624 12.349 5.632 1.000 2 B 94.219 1 ATOM 2006 C CG . LYS 91 3771 ? B -8.286 12.946 6.043 1.000 2 B 94.219 1 ATOM 2007 C CD . LYS 91 3771 ? B -8.374 14.458 6.204 1.000 2 B 94.219 1 ATOM 2008 C CE . LYS 91 3771 ? B -7.023 15.062 6.563 1.000 2 B 94.219 1 ATOM 2009 N NZ . LYS 91 3771 ? B -7.044 16.553 6.483 1.000 2 B 94.219 1 ATOM 2010 N N . THR 92 3772 ? B -11.667 10.338 4.422 1.000 2 B 91.188 1 ATOM 2011 C CA . THR 92 3772 ? B -13.050 9.883 4.334 1.000 2 B 91.188 1 ATOM 2012 C C . THR 92 3772 ? B -13.131 8.366 4.481 1.000 2 B 91.188 1 ATOM 2013 O O . THR 92 3772 ? B -13.962 7.854 5.233 1.000 2 B 91.188 1 ATOM 2014 C CB . THR 92 3772 ? B -13.695 10.308 3.002 1.000 2 B 91.188 1 ATOM 2015 O OG1 . THR 92 3772 ? B -13.641 11.736 2.886 1.000 2 B 91.188 1 ATOM 2016 C CG2 . THR 92 3772 ? B -15.150 9.859 2.927 1.000 2 B 91.188 1 ATOM 2017 N N . VAL 93 3773 ? B -12.256 7.674 3.771 1.000 2 B 92.708 1 ATOM 2018 C CA . VAL 93 3773 ? B -12.273 6.215 3.772 1.000 2 B 92.708 1 ATOM 2019 C C . VAL 93 3773 ? B -11.859 5.694 5.146 1.000 2 B 92.708 1 ATOM 2020 O O . VAL 93 3773 ? B -12.505 4.800 5.698 1.000 2 B 92.708 1 ATOM 2021 C CB . VAL 93 3773 ? B -11.345 5.636 2.681 1.000 2 B 92.708 1 ATOM 2022 C CG1 . VAL 93 3773 ? B -11.257 4.115 2.798 1.000 2 B 92.708 1 ATOM 2023 C CG2 . VAL 93 3773 ? B -11.837 6.041 1.292 1.000 2 B 92.708 1 ATOM 2024 N N . LEU 94 3774 ? B -10.822 6.274 5.768 1.000 2 B 95.269 1 ATOM 2025 C CA . LEU 94 3774 ? B -10.277 5.806 7.038 1.000 2 B 95.269 1 ATOM 2026 C C . LEU 94 3774 ? B -11.226 6.126 8.188 1.000 2 B 95.269 1 ATOM 2027 O O . LEU 94 3774 ? B -11.267 5.401 9.184 1.000 2 B 95.269 1 ATOM 2028 C CB . LEU 94 3774 ? B -8.908 6.438 7.299 1.000 2 B 95.269 1 ATOM 2029 C CG . LEU 94 3774 ? B -7.736 5.876 6.492 1.000 2 B 95.269 1 ATOM 2030 C CD1 . LEU 94 3774 ? B -6.509 6.769 6.647 1.000 2 B 95.269 1 ATOM 2031 C CD2 . LEU 94 3774 ? B -7.423 4.449 6.927 1.000 2 B 95.269 1 ATOM 2032 N N . ARG 95 3775 ? B -11.972 7.213 7.972 1.000 2 B 93.358 1 ATOM 2033 C CA . ARG 95 3775 ? B -12.982 7.534 8.976 1.000 2 B 93.358 1 ATOM 2034 C C . ARG 95 3775 ? B -13.992 6.401 9.118 1.000 2 B 93.358 1 ATOM 2035 O O . ARG 95 3775 ? B -14.302 5.975 10.232 1.000 2 B 93.358 1 ATOM 2036 C CB . ARG 95 3775 ? B -13.701 8.836 8.618 1.000 2 B 93.358 1 ATOM 2037 C CG . ARG 95 3775 ? B -14.782 9.235 9.610 1.000 2 B 93.358 1 ATOM 2038 C CD . ARG 95 3775 ? B -15.655 10.360 9.071 1.000 2 B 93.358 1 ATOM 2039 N NE . ARG 95 3775 ? B -16.747 10.681 9.986 1.000 2 B 93.358 1 ATOM 2040 C CZ . ARG 95 3775 ? B -17.756 11.500 9.704 1.000 2 B 93.358 1 ATOM 2041 N NH1 . ARG 95 3775 ? B -17.833 12.099 8.521 1.000 2 B 93.358 1 ATOM 2042 N NH2 . ARG 95 3775 ? B -18.696 11.721 10.611 1.000 2 B 93.358 1 ATOM 2043 N N . ASP 96 3776 ? B -14.517 5.972 7.949 1.000 2 B 91.981 1 ATOM 2044 C CA . ASP 96 3776 ? B -15.513 4.905 7.951 1.000 2 B 91.981 1 ATOM 2045 C C . ASP 96 3776 ? B -14.936 3.615 8.530 1.000 2 B 91.981 1 ATOM 2046 O O . ASP 96 3776 ? B -15.611 2.909 9.281 1.000 2 B 91.981 1 ATOM 2047 C CB . ASP 96 3776 ? B -16.038 4.658 6.535 1.000 2 B 91.981 1 ATOM 2048 C CG . ASP 96 3776 ? B -16.951 5.765 6.039 1.000 2 B 91.981 1 ATOM 2049 O OD1 . ASP 96 3776 ? B -17.437 6.570 6.863 1.000 2 B 91.981 1 ATOM 2050 O OD2 . ASP 96 3776 ? B -17.188 5.832 4.813 1.000 2 B 91.981 1 ATOM 2051 N N . GLU 97 3777 ? B -13.659 3.474 8.256 1.000 2 B 93.876 1 ATOM 2052 C CA . GLU 97 3777 ? B -13.006 2.253 8.717 1.000 2 B 93.876 1 ATOM 2053 C C . GLU 97 3777 ? B -12.757 2.294 10.222 1.000 2 B 93.876 1 ATOM 2054 O O . GLU 97 3777 ? B -12.958 1.296 10.917 1.000 2 B 93.876 1 ATOM 2055 C CB . GLU 97 3777 ? B -11.687 2.035 7.971 1.000 2 B 93.876 1 ATOM 2056 C CG . GLU 97 3777 ? B -11.048 0.679 8.236 1.000 2 B 93.876 1 ATOM 2057 C CD . GLU 97 3777 ? B -11.913 -0.489 7.791 1.000 2 B 93.876 1 ATOM 2058 O OE1 . GLU 97 3777 ? B -11.720 -1.616 8.301 1.000 2 B 93.876 1 ATOM 2059 O OE2 . GLU 97 3777 ? B -12.790 -0.276 6.924 1.000 2 B 93.876 1 ATOM 2060 N N . ILE 98 3778 ? B -12.340 3.347 10.798 1.000 2 B 94.290 1 ATOM 2061 C CA . ILE 98 3778 ? B -12.022 3.508 12.213 1.000 2 B 94.290 1 ATOM 2062 C C . ILE 98 3778 ? B -13.305 3.462 13.039 1.000 2 B 94.290 1 ATOM 2063 O O . ILE 98 3778 ? B -13.334 2.868 14.119 1.000 2 B 94.290 1 ATOM 2064 C CB . ILE 98 3778 ? B -11.263 4.829 12.474 1.000 2 B 94.290 1 ATOM 2065 C CG1 . ILE 98 3778 ? B -9.856 4.765 11.868 1.000 2 B 94.290 1 ATOM 2066 C CG2 . ILE 98 3778 ? B -11.200 5.127 13.975 1.000 2 B 94.290 1 ATOM 2067 C CD1 . ILE 98 3778 ? B -9.089 6.078 11.945 1.000 2 B 94.290 1 ATOM 2068 N N . ILE 99 3779 ? B -14.425 4.049 12.536 1.000 2 B 92.458 1 ATOM 2069 C CA . ILE 99 3779 ? B -15.721 3.973 13.200 1.000 2 B 92.458 1 ATOM 2070 C C . ILE 99 3779 ? B -16.179 2.518 13.275 1.000 2 B 92.458 1 ATOM 2071 O O . ILE 99 3779 ? B -16.649 2.061 14.319 1.000 2 B 92.458 1 ATOM 2072 C CB . ILE 99 3779 ? B -16.780 4.831 12.473 1.000 2 B 92.458 1 ATOM 2073 C CG1 . ILE 99 3779 ? B -16.464 6.322 12.637 1.000 2 B 92.458 1 ATOM 2074 C CG2 . ILE 99 3779 ? B -18.185 4.510 12.991 1.000 2 B 92.458 1 ATOM 2075 C CD1 . ILE 99 3779 ? B -17.350 7.239 11.805 1.000 2 B 92.458 1 ATOM 2076 N N . ALA 100 3780 ? B -16.001 1.828 12.107 1.000 2 B 92.121 1 ATOM 2077 C CA . ALA 100 3780 ? B -16.368 0.415 12.063 1.000 2 B 92.121 1 ATOM 2078 C C . ALA 100 3780 ? B -15.546 -0.397 13.059 1.000 2 B 92.121 1 ATOM 2079 O O . ALA 100 3780 ? B -16.073 -1.290 13.727 1.000 2 B 92.121 1 ATOM 2080 C CB . ALA 100 3780 ? B -16.186 -0.138 10.651 1.000 2 B 92.121 1 ATOM 2081 N N . TRP 101 3781 ? B -14.280 -0.156 13.085 1.000 2 B 92.547 1 ATOM 2082 C CA . TRP 101 3781 ? B -13.394 -0.823 14.033 1.000 2 B 92.547 1 ATOM 2083 C C . TRP 101 3781 ? B -13.854 -0.586 15.468 1.000 2 B 92.547 1 ATOM 2084 O O . TRP 101 3781 ? B -13.897 -1.518 16.275 1.000 2 B 92.547 1 ATOM 2085 C CB . TRP 101 3781 ? B -11.953 -0.336 13.858 1.000 2 B 92.547 1 ATOM 2086 C CG . TRP 101 3781 ? B -11.036 -0.732 14.976 1.000 2 B 92.547 1 ATOM 2087 C CD1 . TRP 101 3781 ? B -10.475 -1.962 15.184 1.000 2 B 92.547 1 ATOM 2088 C CD2 . TRP 101 3781 ? B -10.577 0.104 16.042 1.000 2 B 92.547 1 ATOM 2089 N NE1 . TRP 101 3781 ? B -9.694 -1.939 16.316 1.000 2 B 92.547 1 ATOM 2090 C CE2 . TRP 101 3781 ? B -9.739 -0.684 16.861 1.000 2 B 92.547 1 ATOM 2091 C CE3 . TRP 101 3781 ? B -10.792 1.446 16.383 1.000 2 B 92.547 1 ATOM 2092 C CZ2 . TRP 101 3781 ? B -9.116 -0.174 18.002 1.000 2 B 92.547 1 ATOM 2093 C CZ3 . TRP 101 3781 ? B -10.171 1.952 17.520 1.000 2 B 92.547 1 ATOM 2094 C CH2 . TRP 101 3781 ? B -9.343 1.141 18.314 1.000 2 B 92.547 1 ATOM 2095 N N . HIS 102 3782 ? B -14.088 0.680 15.873 1.000 2 B 90.382 1 ATOM 2096 C CA . HIS 102 3782 ? B -14.495 1.056 17.222 1.000 2 B 90.382 1 ATOM 2097 C C . HIS 102 3782 ? B -15.781 0.343 17.628 1.000 2 B 90.382 1 ATOM 2098 O O . HIS 102 3782 ? B -15.918 -0.094 18.773 1.000 2 B 90.382 1 ATOM 2099 C CB . HIS 102 3782 ? B -14.680 2.571 17.323 1.000 2 B 90.382 1 ATOM 2100 C CG . HIS 102 3782 ? B -14.904 3.056 18.720 1.000 2 B 90.382 1 ATOM 2101 N ND1 . HIS 102 3782 ? B -13.895 3.120 19.657 1.000 2 B 90.382 1 ATOM 2102 C CD2 . HIS 102 3782 ? B -16.023 3.503 19.337 1.000 2 B 90.382 1 ATOM 2103 C CE1 . HIS 102 3782 ? B -14.386 3.586 20.793 1.000 2 B 90.382 1 ATOM 2104 N NE2 . HIS 102 3782 ? B -15.675 3.826 20.625 1.000 2 B 90.382 1 ATOM 2105 N N . LYS 103 3783 ? B -16.723 0.264 16.700 1.000 2 B 89.954 1 ATOM 2106 C CA . LYS 103 3783 ? B -17.983 -0.423 16.971 1.000 2 B 89.954 1 ATOM 2107 C C . LYS 103 3783 ? B -17.751 -1.904 17.257 1.000 2 B 89.954 1 ATOM 2108 O O . LYS 103 3783 ? B -18.387 -2.478 18.143 1.000 2 B 89.954 1 ATOM 2109 C CB . LYS 103 3783 ? B -18.947 -0.261 15.795 1.000 2 B 89.954 1 ATOM 2110 C CG . LYS 103 3783 ? B -19.520 1.142 15.653 1.000 2 B 89.954 1 ATOM 2111 C CD . LYS 103 3783 ? B -20.498 1.231 14.489 1.000 2 B 89.954 1 ATOM 2112 C CE . LYS 103 3783 ? B -21.202 2.581 14.451 1.000 2 B 89.954 1 ATOM 2113 N NZ . LYS 103 3783 ? B -22.147 2.680 13.299 1.000 2 B 89.954 1 ATOM 2114 N N . LYS 104 3784 ? B -16.862 -2.495 16.428 1.000 2 B 89.949 1 ATOM 2115 C CA . LYS 104 3784 ? B -16.535 -3.908 16.598 1.000 2 B 89.949 1 ATOM 2116 C C . LYS 104 3784 ? B -15.870 -4.160 17.949 1.000 2 B 89.949 1 ATOM 2117 O O . LYS 104 3784 ? B -16.159 -5.158 18.612 1.000 2 B 89.949 1 ATOM 2118 C CB . LYS 104 3784 ? B -15.623 -4.388 15.468 1.000 2 B 89.949 1 ATOM 2119 C CG . LYS 104 3784 ? B -15.266 -5.865 15.545 1.000 2 B 89.949 1 ATOM 2120 C CD . LYS 104 3784 ? B -14.306 -6.267 14.433 1.000 2 B 89.949 1 ATOM 2121 C CE . LYS 104 3784 ? B -13.713 -7.649 14.677 1.000 2 B 89.949 1 ATOM 2122 N NZ . LYS 104 3784 ? B -12.853 -8.091 13.539 1.000 2 B 89.949 1 ATOM 2123 N N . THR 105 3785 ? B -14.932 -3.317 18.383 1.000 2 B 87.133 1 ATOM 2124 C CA . THR 105 3785 ? B -14.204 -3.450 19.639 1.000 2 B 87.133 1 ATOM 2125 C C . THR 105 3785 ? B -15.148 -3.307 20.830 1.000 2 B 87.133 1 ATOM 2126 O O . THR 105 3785 ? B -14.971 -3.973 21.852 1.000 2 B 87.133 1 ATOM 2127 C CB . THR 105 3785 ? B -13.078 -2.404 19.746 1.000 2 B 87.133 1 ATOM 2128 O OG1 . THR 105 3785 ? B -12.205 -2.535 18.617 1.000 2 B 87.133 1 ATOM 2129 C CG2 . THR 105 3785 ? B -12.269 -2.596 21.024 1.000 2 B 87.133 1 ATOM 2130 N N . GLN 106 3786 ? B -16.159 -2.520 20.714 1.000 2 B 83.591 1 ATOM 2131 C CA . GLN 106 3786 ? B -17.132 -2.324 21.783 1.000 2 B 83.591 1 ATOM 2132 C C . GLN 106 3786 ? B -17.987 -3.572 21.984 1.000 2 B 83.591 1 ATOM 2133 O O . GLN 106 3786 ? B -18.333 -3.919 23.116 1.000 2 B 83.591 1 ATOM 2134 C CB . GLN 106 3786 ? B -18.025 -1.119 21.483 1.000 2 B 83.591 1 ATOM 2135 C CG . GLN 106 3786 ? B -17.340 0.223 21.700 1.000 2 B 83.591 1 ATOM 2136 C CD . GLN 106 3786 ? B -18.302 1.393 21.617 1.000 2 B 83.591 1 ATOM 2137 O OE1 . GLN 106 3786 ? B -19.509 1.210 21.428 1.000 2 B 83.591 1 ATOM 2138 N NE2 . GLN 106 3786 ? B -17.775 2.605 21.756 1.000 2 B 83.591 1 ATOM 2139 N N . GLU 107 3787 ? B -18.257 -4.252 20.907 1.000 2 B 83.134 1 ATOM 2140 C CA . GLU 107 3787 ? B -19.090 -5.449 20.969 1.000 2 B 83.134 1 ATOM 2141 C C . GLU 107 3787 ? B -18.334 -6.615 21.600 1.000 2 B 83.134 1 ATOM 2142 O O . GLU 107 3787 ? B -18.930 -7.452 22.281 1.000 2 B 83.134 1 ATOM 2143 C CB . GLU 107 3787 ? B -19.582 -5.835 19.572 1.000 2 B 83.134 1 ATOM 2144 C CG . GLU 107 3787 ? B -20.569 -4.843 18.972 1.000 2 B 83.134 1 ATOM 2145 C CD . GLU 107 3787 ? B -20.968 -5.183 17.545 1.000 2 B 83.134 1 ATOM 2146 O OE1 . GLU 107 3787 ? B -21.754 -4.422 16.937 1.000 2 B 83.134 1 ATOM 2147 O OE2 . GLU 107 3787 ? B -20.492 -6.220 17.031 1.000 2 B 83.134 1 ATOM 2148 N N . ASP 108 3788 ? B -16.984 -6.658 21.327 1.000 2 B 78.055 1 ATOM 2149 C CA . ASP 108 3788 ? B -16.181 -7.770 21.827 1.000 2 B 78.055 1 ATOM 2150 C C . ASP 108 3788 ? B -15.874 -7.600 23.314 1.000 2 B 78.055 1 ATOM 2151 O O . ASP 108 3788 ? B -15.746 -8.586 24.043 1.000 2 B 78.055 1 ATOM 2152 C CB . ASP 108 3788 ? B -14.880 -7.892 21.032 1.000 2 B 78.055 1 ATOM 2153 C CG . ASP 108 3788 ? B -15.093 -8.415 19.623 1.000 2 B 78.055 1 ATOM 2154 O OD1 . ASP 108 3788 ? B -16.163 -8.998 19.344 1.000 2 B 78.055 1 ATOM 2155 O OD2 . ASP 108 3788 ? B -14.181 -8.246 18.784 1.000 2 B 78.055 1 ATOM 2156 N N . THR 109 3789 ? B -15.741 -6.391 23.738 1.000 2 B 72.975 1 ATOM 2157 C CA . THR 109 3789 ? B -15.416 -6.152 25.140 1.000 2 B 72.975 1 ATOM 2158 C C . THR 109 3789 ? B -16.678 -6.167 25.998 1.000 2 B 72.975 1 ATOM 2159 O O . THR 109 3789 ? B -17.632 -5.438 25.720 1.000 2 B 72.975 1 ATOM 2160 C CB . THR 109 3789 ? B -14.683 -4.810 25.323 1.000 2 B 72.975 1 ATOM 2161 O OG1 . THR 109 3789 ? B -13.550 -4.768 24.447 1.000 2 B 72.975 1 ATOM 2162 C CG2 . THR 109 3789 ? B -14.206 -4.636 26.761 1.000 2 B 72.975 1 ATOM 2163 N N . SER 110 3790 ? B -17.555 -7.154 25.843 1.000 2 B 63.454 1 ATOM 2164 C CA . SER 110 3790 ? B -18.671 -7.468 26.729 1.000 2 B 63.454 1 ATOM 2165 C C . SER 110 3790 ? B -18.822 -6.416 27.823 1.000 2 B 63.454 1 ATOM 2166 O O . SER 110 3790 ? B -18.911 -6.752 29.006 1.000 2 B 63.454 1 ATOM 2167 C CB . SER 110 3790 ? B -18.484 -8.848 27.359 1.000 2 B 63.454 1 ATOM 2168 O OG . SER 110 3790 ? B -17.227 -8.938 28.009 1.000 2 B 63.454 1 ATOM 2169 N N . SER 111 3791 ? B -18.355 -5.161 27.645 1.000 2 B 55.466 1 ATOM 2170 C CA . SER 111 3791 ? B -18.858 -4.284 28.697 1.000 2 B 55.466 1 ATOM 2171 C C . SER 111 3791 ? B -20.305 -3.879 28.433 1.000 2 B 55.466 1 ATOM 2172 O O . SER 111 3791 ? B -20.620 -3.338 27.372 1.000 2 B 55.466 1 ATOM 2173 C CB . SER 111 3791 ? B -17.985 -3.034 28.817 1.000 2 B 55.466 1 ATOM 2174 O OG . SER 111 3791 ? B -18.454 -2.190 29.854 1.000 2 B 55.466 1 ATOM 2175 N N . PRO 112 3792 ? B -21.274 -4.695 28.925 1.000 2 B 48.164 1 ATOM 2176 C CA . PRO 112 3792 ? B -22.719 -4.474 29.008 1.000 2 B 48.164 1 ATOM 2177 C C . PRO 112 3792 ? B -23.077 -3.021 29.314 1.000 2 B 48.164 1 ATOM 2178 O O . PRO 112 3792 ? B -22.327 -2.329 30.006 1.000 2 B 48.164 1 ATOM 2179 C CB . PRO 112 3792 ? B -23.152 -5.395 30.152 1.000 2 B 48.164 1 ATOM 2180 C CG . PRO 112 3792 ? B -21.882 -5.750 30.857 1.000 2 B 48.164 1 ATOM 2181 C CD . PRO 112 3792 ? B -20.735 -5.124 30.118 1.000 2 B 48.164 1 ATOM 2182 N N . LEU 113 3793 ? B -23.251 -2.103 28.359 1.000 2 B 51.723 1 ATOM 2183 C CA . LEU 113 3793 ? B -24.362 -1.178 28.551 1.000 2 B 51.723 1 ATOM 2184 C C . LEU 113 3793 ? B -23.989 -0.076 29.536 1.000 2 B 51.723 1 ATOM 2185 O O . LEU 113 3793 ? B -23.710 -0.351 30.705 1.000 2 B 51.723 1 ATOM 2186 C CB . LEU 113 3793 ? B -25.602 -1.926 29.049 1.000 2 B 51.723 1 ATOM 2187 C CG . LEU 113 3793 ? B -26.585 -2.399 27.977 1.000 2 B 51.723 1 ATOM 2188 C CD1 . LEU 113 3793 ? B -26.671 -3.922 27.972 1.000 2 B 51.723 1 ATOM 2189 C CD2 . LEU 113 3793 ? B -27.961 -1.781 28.202 1.000 2 B 51.723 1 ATOM 2190 N N . SER 114 3794 ? B -22.890 0.687 29.364 1.000 2 B 51.000 1 ATOM 2191 C CA . SER 114 3794 ? B -23.045 1.905 30.153 1.000 2 B 51.000 1 ATOM 2192 C C . SER 114 3794 ? B -24.471 2.049 30.672 1.000 2 B 51.000 1 ATOM 2193 O O . SER 114 3794 ? B -25.427 1.666 29.994 1.000 2 B 51.000 1 ATOM 2194 C CB . SER 114 3794 ? B -22.669 3.133 29.323 1.000 2 B 51.000 1 ATOM 2195 O OG . SER 114 3794 ? B -21.271 3.359 29.363 1.000 2 B 51.000 1 ATOM 2196 N N . ALA 115 3795 ? B -24.819 1.554 31.838 1.000 2 B 53.401 1 ATOM 2197 C CA . ALA 115 3795 ? B -25.920 1.935 32.719 1.000 2 B 53.401 1 ATOM 2198 C C . ALA 115 3795 ? B -26.856 2.924 32.030 1.000 2 B 53.401 1 ATOM 2199 O O . ALA 115 3795 ? B -28.070 2.892 32.245 1.000 2 B 53.401 1 ATOM 2200 C CB . ALA 115 3795 ? B -25.381 2.531 34.017 1.000 2 B 53.401 1 ATOM 2201 N N . ALA 116 3796 ? B -26.509 3.350 30.762 1.000 2 B 56.044 1 ATOM 2202 C CA . ALA 116 3796 ? B -27.438 4.257 30.092 1.000 2 B 56.044 1 ATOM 2203 C C . ALA 116 3796 ? B -27.694 3.814 28.654 1.000 2 B 56.044 1 ATOM 2204 O O . ALA 116 3796 ? B -28.437 4.469 27.919 1.000 2 B 56.044 1 ATOM 2205 C CB . ALA 116 3796 ? B -26.899 5.685 30.118 1.000 2 B 56.044 1 ATOM 2206 N N . GLY 117 3797 ? B -27.674 2.504 28.322 1.000 2 B 54.482 1 ATOM 2207 C CA . GLY 117 3797 ? B -28.233 1.980 27.085 1.000 2 B 54.482 1 ATOM 2208 C C . GLY 117 3797 ? B -27.769 2.735 25.854 1.000 2 B 54.482 1 ATOM 2209 O O . GLY 117 3797 ? B -28.297 2.531 24.759 1.000 2 B 54.482 1 ATOM 2210 N N . GLN 118 3798 ? B -26.636 3.580 25.965 1.000 2 B 55.060 1 ATOM 2211 C CA . GLN 118 3798 ? B -26.205 4.235 24.735 1.000 2 B 55.060 1 ATOM 2212 C C . GLN 118 3798 ? B -24.799 3.794 24.339 1.000 2 B 55.060 1 ATOM 2213 O O . GLN 118 3798 ? B -23.924 3.649 25.196 1.000 2 B 55.060 1 ATOM 2214 C CB . GLN 118 3798 ? B -26.254 5.756 24.891 1.000 2 B 55.060 1 ATOM 2215 C CG . GLN 118 3798 ? B -27.371 6.421 24.098 1.000 2 B 55.060 1 ATOM 2216 C CD . GLN 118 3798 ? B -27.443 7.919 24.327 1.000 2 B 55.060 1 ATOM 2217 O OE1 . GLN 118 3798 ? B -26.541 8.512 24.928 1.000 2 B 55.060 1 ATOM 2218 N NE2 . GLN 118 3798 ? B -28.516 8.540 23.852 1.000 2 B 55.060 1 ATOM 2219 N N . PRO 119 3799 ? B -24.616 3.077 23.201 1.000 2 B 57.198 1 ATOM 2220 C CA . PRO 119 3799 ? B -23.276 2.794 22.681 1.000 2 B 57.198 1 ATOM 2221 C C . PRO 119 3799 ? B -22.309 3.959 22.875 1.000 2 B 57.198 1 ATOM 2222 O O . PRO 119 3799 ? B -22.703 5.121 22.748 1.000 2 B 57.198 1 ATOM 2223 C CB . PRO 119 3799 ? B -23.524 2.532 21.193 1.000 2 B 57.198 1 ATOM 2224 C CG . PRO 119 3799 ? B -24.891 3.077 20.932 1.000 2 B 57.198 1 ATOM 2225 C CD . PRO 119 3799 ? B -25.591 3.261 22.247 1.000 2 B 57.198 1 ATOM 2226 N N . GLU 120 3800 ? B -21.405 3.910 23.855 1.000 2 B 66.847 1 ATOM 2227 C CA . GLU 120 3800 ? B -20.388 4.948 23.996 1.000 2 B 66.847 1 ATOM 2228 C C . GLU 120 3800 ? B -19.774 5.306 22.645 1.000 2 B 66.847 1 ATOM 2229 O O . GLU 120 3800 ? B -19.282 4.431 21.930 1.000 2 B 66.847 1 ATOM 2230 C CB . GLU 120 3800 ? B -19.294 4.500 24.968 1.000 2 B 66.847 1 ATOM 2231 C CG . GLU 120 3800 ? B -19.755 4.418 26.417 1.000 2 B 66.847 1 ATOM 2232 C CD . GLU 120 3800 ? B -18.605 4.381 27.411 1.000 2 B 66.847 1 ATOM 2233 O OE1 . GLU 120 3800 ? B -18.821 4.706 28.601 1.000 2 B 66.847 1 ATOM 2234 O OE2 . GLU 120 3800 ? B -17.479 4.027 26.996 1.000 2 B 66.847 1 ATOM 2235 N N . ASN 121 3801 ? B -20.356 6.256 22.000 1.000 2 B 72.983 1 ATOM 2236 C CA . ASN 121 3801 ? B -19.800 6.851 20.790 1.000 2 B 72.983 1 ATOM 2237 C C . ASN 121 3801 ? B -18.369 7.334 21.009 1.000 2 B 72.983 1 ATOM 2238 O O . ASN 121 3801 ? B -17.986 7.662 22.134 1.000 2 B 72.983 1 ATOM 2239 C CB . ASN 121 3801 ? B -20.680 8.004 20.304 1.000 2 B 72.983 1 ATOM 2240 C CG . ASN 121 3801 ? B -21.961 7.525 19.648 1.000 2 B 72.983 1 ATOM 2241 O OD1 . ASN 121 3801 ? B -21.949 6.586 18.847 1.000 2 B 72.983 1 ATOM 2242 N ND2 . ASN 121 3801 ? B -23.074 8.165 19.984 1.000 2 B 72.983 1 ATOM 2243 N N . MET 122 3802 ? B -17.455 6.789 20.150 1.000 2 B 80.183 1 ATOM 2244 C CA . MET 122 3802 ? B -16.077 7.270 20.106 1.000 2 B 80.183 1 ATOM 2245 C C . MET 122 3802 ? B -16.028 8.791 20.191 1.000 2 B 80.183 1 ATOM 2246 O O . MET 122 3802 ? B -16.814 9.479 19.537 1.000 2 B 80.183 1 ATOM 2247 C CB . MET 122 3802 ? B -15.381 6.795 18.829 1.000 2 B 80.183 1 ATOM 2248 C CG . MET 122 3802 ? B -13.882 7.044 18.819 1.000 2 B 80.183 1 ATOM 2249 S SD . MET 122 3802 ? B -13.012 6.047 17.547 1.000 2 B 80.183 1 ATOM 2250 C CE . MET 122 3802 ? B -13.492 6.951 16.049 1.000 2 B 80.183 1 ATOM 2251 N N . ASP 123 3803 ? B -15.238 9.357 21.204 1.000 2 B 88.224 1 ATOM 2252 C CA . ASP 123 3803 ? B -14.954 10.785 21.302 1.000 2 B 88.224 1 ATOM 2253 C C . ASP 123 3803 ? B -14.509 11.351 19.955 1.000 2 B 88.224 1 ATOM 2254 O O . ASP 123 3803 ? B -13.635 10.784 19.296 1.000 2 B 88.224 1 ATOM 2255 C CB . ASP 123 3803 ? B -13.882 11.048 22.362 1.000 2 B 88.224 1 ATOM 2256 C CG . ASP 123 3803 ? B -13.653 12.527 22.620 1.000 2 B 88.224 1 ATOM 2257 O OD1 . ASP 123 3803 ? B -14.484 13.356 22.192 1.000 2 B 88.224 1 ATOM 2258 O OD2 . ASP 123 3803 ? B -12.630 12.865 23.254 1.000 2 B 88.224 1 ATOM 2259 N N . SER 124 3804 ? B -15.174 12.375 19.386 1.000 2 B 88.765 1 ATOM 2260 C CA . SER 124 3804 ? B -14.915 12.998 18.092 1.000 2 B 88.765 1 ATOM 2261 C C . SER 124 3804 ? B -13.449 13.396 17.954 1.000 2 B 88.765 1 ATOM 2262 O O . SER 124 3804 ? B -12.860 13.252 16.881 1.000 2 B 88.765 1 ATOM 2263 C CB . SER 124 3804 ? B -15.806 14.225 17.900 1.000 2 B 88.765 1 ATOM 2264 O OG . SER 124 3804 ? B -15.583 15.175 18.928 1.000 2 B 88.765 1 ATOM 2265 N N . GLN 125 3805 ? B -12.844 13.899 19.026 1.000 2 B 90.440 1 ATOM 2266 C CA . GLN 125 3805 ? B -11.448 14.323 18.992 1.000 2 B 90.440 1 ATOM 2267 C C . GLN 125 3805 ? B -10.515 13.128 18.821 1.000 2 B 90.440 1 ATOM 2268 O O . GLN 125 3805 ? B -9.514 13.212 18.106 1.000 2 B 90.440 1 ATOM 2269 C CB . GLN 125 3805 ? B -11.090 15.092 20.264 1.000 2 B 90.440 1 ATOM 2270 C CG . GLN 125 3805 ? B -11.717 16.478 20.342 1.000 2 B 90.440 1 ATOM 2271 C CD . GLN 125 3805 ? B -11.245 17.399 19.233 1.000 2 B 90.440 1 ATOM 2272 O OE1 . GLN 125 3805 ? B -10.057 17.430 18.897 1.000 2 B 90.440 1 ATOM 2273 N NE2 . GLN 125 3805 ? B -12.172 18.156 18.657 1.000 2 B 90.440 1 ATOM 2274 N N . GLN 126 3806 ? B -10.879 12.063 19.564 1.000 2 B 91.419 1 ATOM 2275 C CA . GLN 126 3806 ? B -10.101 10.836 19.430 1.000 2 B 91.419 1 ATOM 2276 C C . GLN 126 3806 ? B -10.194 10.278 18.012 1.000 2 B 91.419 1 ATOM 2277 O O . GLN 126 3806 ? B -9.194 9.831 17.448 1.000 2 B 91.419 1 ATOM 2278 C CB . GLN 126 3806 ? B -10.572 9.788 20.439 1.000 2 B 91.419 1 ATOM 2279 C CG . GLN 126 3806 ? B -9.735 8.516 20.441 1.000 2 B 91.419 1 ATOM 2280 C CD . GLN 126 3806 ? B -10.194 7.512 21.481 1.000 2 B 91.419 1 ATOM 2281 O OE1 . GLN 126 3806 ? B -11.038 7.820 22.330 1.000 2 B 91.419 1 ATOM 2282 N NE2 . GLN 126 3806 ? B -9.643 6.305 21.425 1.000 2 B 91.419 1 ATOM 2283 N N . LEU 127 3807 ? B -11.319 10.301 17.432 1.000 2 B 92.563 1 ATOM 2284 C CA . LEU 127 3807 ? B -11.529 9.840 16.064 1.000 2 B 92.563 1 ATOM 2285 C C . LEU 127 3807 ? B -10.680 10.642 15.083 1.000 2 B 92.563 1 ATOM 2286 O O . LEU 127 3807 ? B -9.988 10.067 14.240 1.000 2 B 92.563 1 ATOM 2287 C CB . LEU 127 3807 ? B -13.008 9.949 15.683 1.000 2 B 92.563 1 ATOM 2288 C CG . LEU 127 3807 ? B -13.365 9.587 14.241 1.000 2 B 92.563 1 ATOM 2289 C CD1 . LEU 127 3807 ? B -12.982 8.141 13.946 1.000 2 B 92.563 1 ATOM 2290 C CD2 . LEU 127 3807 ? B -14.851 9.815 13.984 1.000 2 B 92.563 1 ATOM 2291 N N . VAL 128 3808 ? B -10.736 11.946 15.171 1.000 2 B 93.618 1 ATOM 2292 C CA . VAL 128 3808 ? B -9.989 12.825 14.278 1.000 2 B 93.618 1 ATOM 2293 C C . VAL 128 3808 ? B -8.493 12.546 14.409 1.000 2 B 93.618 1 ATOM 2294 O O . VAL 128 3808 ? B -7.779 12.472 13.407 1.000 2 B 93.618 1 ATOM 2295 C CB . VAL 128 3808 ? B -10.280 14.314 14.572 1.000 2 B 93.618 1 ATOM 2296 C CG1 . VAL 128 3808 ? B -9.338 15.216 13.777 1.000 2 B 93.618 1 ATOM 2297 C CG2 . VAL 128 3808 ? B -11.737 14.645 14.253 1.000 2 B 93.618 1 ATOM 2298 N N . SER 129 3809 ? B -8.051 12.355 15.643 1.000 2 B 94.538 1 ATOM 2299 C CA . SER 129 3809 ? B -6.637 12.097 15.894 1.000 2 B 94.538 1 ATOM 2300 C C . SER 129 3809 ? B -6.193 10.783 15.260 1.000 2 B 94.538 1 ATOM 2301 O O . SER 129 3809 ? B -5.127 10.713 14.645 1.000 2 B 94.538 1 ATOM 2302 C CB . SER 129 3809 ? B -6.356 12.069 17.397 1.000 2 B 94.538 1 ATOM 2303 O OG . SER 129 3809 ? B -6.974 10.947 18.003 1.000 2 B 94.538 1 ATOM 2304 N N . LEU 130 3810 ? B -6.992 9.699 15.374 1.000 2 B 95.071 1 ATOM 2305 C CA . LEU 130 3810 ? B -6.659 8.392 14.819 1.000 2 B 95.071 1 ATOM 2306 C C . LEU 130 3810 ? B -6.645 8.437 13.294 1.000 2 B 95.071 1 ATOM 2307 O O . LEU 130 3810 ? B -5.765 7.851 12.660 1.000 2 B 95.071 1 ATOM 2308 C CB . LEU 130 3810 ? B -7.657 7.335 15.301 1.000 2 B 95.071 1 ATOM 2309 C CG . LEU 130 3810 ? B -7.517 6.884 16.756 1.000 2 B 95.071 1 ATOM 2310 C CD1 . LEU 130 3810 ? B -8.659 5.947 17.132 1.000 2 B 95.071 1 ATOM 2311 C CD2 . LEU 130 3810 ? B -6.168 6.209 16.979 1.000 2 B 95.071 1 ATOM 2312 N N . VAL 131 3811 ? B -7.607 9.145 12.749 1.000 2 B 95.830 1 ATOM 2313 C CA . VAL 131 3811 ? B -7.693 9.270 11.298 1.000 2 B 95.830 1 ATOM 2314 C C . VAL 131 3811 ? B -6.484 10.040 10.773 1.000 2 B 95.830 1 ATOM 2315 O O . VAL 131 3811 ? B -5.859 9.633 9.791 1.000 2 B 95.830 1 ATOM 2316 C CB . VAL 131 3811 ? B -9.000 9.971 10.865 1.000 2 B 95.830 1 ATOM 2317 C CG1 . VAL 131 3811 ? B -8.960 10.317 9.378 1.000 2 B 95.830 1 ATOM 2318 C CG2 . VAL 131 3811 ? B -10.207 9.089 11.179 1.000 2 B 95.830 1 ATOM 2319 N N . GLN 132 3812 ? B -6.158 11.127 11.412 1.000 2 B 95.986 1 ATOM 2320 C CA . GLN 132 3812 ? B -5.025 11.948 10.999 1.000 2 B 95.986 1 ATOM 2321 C C . GLN 132 3812 ? B -3.718 11.166 11.090 1.000 2 B 95.986 1 ATOM 2322 O O . GLN 132 3812 ? B -2.865 11.267 10.205 1.000 2 B 95.986 1 ATOM 2323 C CB . GLN 132 3812 ? B -4.939 13.214 11.853 1.000 2 B 95.986 1 ATOM 2324 C CG . GLN 132 3812 ? B -3.859 14.188 11.403 1.000 2 B 95.986 1 ATOM 2325 C CD . GLN 132 3812 ? B -4.071 14.685 9.985 1.000 2 B 95.986 1 ATOM 2326 O OE1 . GLN 132 3812 ? B -5.208 14.871 9.542 1.000 2 B 95.986 1 ATOM 2327 N NE2 . GLN 132 3812 ? B -2.977 14.903 9.264 1.000 2 B 95.986 1 ATOM 2328 N N . LYS 133 3813 ? B -3.610 10.456 12.182 1.000 2 B 96.641 1 ATOM 2329 C CA . LYS 133 3813 ? B -2.421 9.627 12.354 1.000 2 B 96.641 1 ATOM 2330 C C . LYS 133 3813 ? B -2.306 8.591 11.240 1.000 2 B 96.641 1 ATOM 2331 O O . LYS 133 3813 ? B -1.223 8.377 10.692 1.000 2 B 96.641 1 ATOM 2332 C CB . LYS 133 3813 ? B -2.444 8.931 13.716 1.000 2 B 96.641 1 ATOM 2333 C CG . LYS 133 3813 ? B -1.175 8.155 14.037 1.000 2 B 96.641 1 ATOM 2334 C CD . LYS 133 3813 ? B -1.245 7.513 15.416 1.000 2 B 96.641 1 ATOM 2335 C CE . LYS 133 3813 ? B -0.011 6.671 15.706 1.000 2 B 96.641 1 ATOM 2336 N NZ . LYS 133 3813 ? B -0.054 6.077 17.076 1.000 2 B 96.641 1 ATOM 2337 N N . ALA 134 3814 ? B -3.375 7.932 10.862 1.000 2 B 97.016 1 ATOM 2338 C CA . ALA 134 3814 ? B -3.398 6.923 9.806 1.000 2 B 97.016 1 ATOM 2339 C C . ALA 134 3814 ? B -3.067 7.542 8.450 1.000 2 B 97.016 1 ATOM 2340 O O . ALA 134 3814 ? B -2.273 6.988 7.686 1.000 2 B 97.016 1 ATOM 2341 C CB . ALA 134 3814 ? B -4.760 6.236 9.755 1.000 2 B 97.016 1 ATOM 2342 N N . VAL 135 3815 ? B -3.661 8.705 8.168 1.000 2 B 96.607 1 ATOM 2343 C CA . VAL 135 3815 ? B -3.423 9.389 6.901 1.000 2 B 96.607 1 ATOM 2344 C C . VAL 135 3815 ? B -1.946 9.760 6.784 1.000 2 B 96.607 1 ATOM 2345 O O . VAL 135 3815 ? B -1.329 9.553 5.737 1.000 2 B 96.607 1 ATOM 2346 C CB . VAL 135 3815 ? B -4.302 10.652 6.764 1.000 2 B 96.607 1 ATOM 2347 C CG1 . VAL 135 3815 ? B -3.865 11.487 5.561 1.000 2 B 96.607 1 ATOM 2348 C CG2 . VAL 135 3815 ? B -5.775 10.266 6.643 1.000 2 B 96.607 1 ATOM 2349 N N . THR 136 3816 ? B -1.410 10.277 7.870 1.000 2 B 96.907 1 ATOM 2350 C CA . THR 136 3816 ? B -0.004 10.663 7.890 1.000 2 B 96.907 1 ATOM 2351 C C . THR 136 3816 ? B 0.893 9.455 7.632 1.000 2 B 96.907 1 ATOM 2352 O O . THR 136 3816 ? B 1.863 9.546 6.877 1.000 2 B 96.907 1 ATOM 2353 C CB . THR 136 3816 ? B 0.378 11.311 9.234 1.000 2 B 96.907 1 ATOM 2354 O OG1 . THR 136 3816 ? B -0.406 12.494 9.427 1.000 2 B 96.907 1 ATOM 2355 C CG2 . THR 136 3816 ? B 1.857 11.684 9.264 1.000 2 B 96.907 1 ATOM 2356 N N . ALA 137 3817 ? B 0.542 8.345 8.264 1.000 2 B 96.739 1 ATOM 2357 C CA . ALA 137 3817 ? B 1.322 7.122 8.086 1.000 2 B 96.739 1 ATOM 2358 C C . ALA 137 3817 ? B 1.325 6.681 6.626 1.000 2 B 96.739 1 ATOM 2359 O O . ALA 137 3817 ? B 2.375 6.337 6.077 1.000 2 B 96.739 1 ATOM 2360 C CB . ALA 137 3817 ? B 0.773 6.008 8.975 1.000 2 B 96.739 1 ATOM 2361 N N . ILE 138 3818 ? B 0.182 6.720 5.969 1.000 2 B 97.376 1 ATOM 2362 C CA . ILE 138 3818 ? B 0.045 6.284 4.584 1.000 2 B 97.376 1 ATOM 2363 C C . ILE 138 3818 ? B 0.765 7.265 3.661 1.000 2 B 97.376 1 ATOM 2364 O O . ILE 138 3818 ? B 1.522 6.855 2.778 1.000 2 B 97.376 1 ATOM 2365 C CB . ILE 138 3818 ? B -1.439 6.155 4.175 1.000 2 B 97.376 1 ATOM 2366 C CG1 . ILE 138 3818 ? B -2.101 4.994 4.927 1.000 2 B 97.376 1 ATOM 2367 C CG2 . ILE 138 3818 ? B -1.568 5.971 2.660 1.000 2 B 97.376 1 ATOM 2368 C CD1 . ILE 138 3818 ? B -3.608 4.910 4.732 1.000 2 B 97.376 1 ATOM 2369 N N . MET 139 3819 ? B 0.596 8.584 3.895 1.000 2 B 96.979 1 ATOM 2370 C CA . MET 139 3819 ? B 1.206 9.601 3.044 1.000 2 B 96.979 1 ATOM 2371 C C . MET 139 3819 ? B 2.726 9.571 3.165 1.000 2 B 96.979 1 ATOM 2372 O O . MET 139 3819 ? B 3.436 9.782 2.180 1.000 2 B 96.979 1 ATOM 2373 C CB . MET 139 3819 ? B 0.681 10.992 3.405 1.000 2 B 96.979 1 ATOM 2374 C CG . MET 139 3819 ? B -0.747 11.245 2.948 1.000 2 B 96.979 1 ATOM 2375 S SD . MET 139 3819 ? B -0.966 10.975 1.146 1.000 2 B 96.979 1 ATOM 2376 C CE . MET 139 3819 ? B -0.056 12.404 0.495 1.000 2 B 96.979 1 ATOM 2377 N N . THR 140 3820 ? B 3.220 9.277 4.360 1.000 2 B 96.401 1 ATOM 2378 C CA . THR 140 3820 ? B 4.658 9.152 4.570 1.000 2 B 96.401 1 ATOM 2379 C C . THR 140 3820 ? B 5.229 8.008 3.737 1.000 2 B 96.401 1 ATOM 2380 O O . THR 140 3820 ? B 6.275 8.158 3.101 1.000 2 B 96.401 1 ATOM 2381 C CB . THR 140 3820 ? B 4.987 8.921 6.057 1.000 2 B 96.401 1 ATOM 2382 O OG1 . THR 140 3820 ? B 4.540 10.049 6.820 1.000 2 B 96.401 1 ATOM 2383 C CG2 . THR 140 3820 ? B 6.488 8.743 6.266 1.000 2 B 96.401 1 ATOM 2384 N N . ARG 141 3821 ? B 4.555 6.810 3.625 1.000 2 B 95.815 1 ATOM 2385 C CA . ARG 141 3821 ? B 5.007 5.683 2.816 1.000 2 B 95.815 1 ATOM 2386 C C . ARG 141 3821 ? B 4.986 6.032 1.332 1.000 2 B 95.815 1 ATOM 2387 O O . ARG 141 3821 ? B 5.916 5.694 0.596 1.000 2 B 95.815 1 ATOM 2388 C CB . ARG 141 3821 ? B 4.139 4.451 3.077 1.000 2 B 95.815 1 ATOM 2389 C CG . ARG 141 3821 ? B 4.444 3.748 4.390 1.000 2 B 95.815 1 ATOM 2390 C CD . ARG 141 3821 ? B 3.615 2.483 4.560 1.000 2 B 95.815 1 ATOM 2391 N NE . ARG 141 3821 ? B 3.933 1.793 5.806 1.000 2 B 95.815 1 ATOM 2392 C CZ . ARG 141 3821 ? B 3.445 0.608 6.162 1.000 2 B 95.815 1 ATOM 2393 N NH1 . ARG 141 3821 ? B 2.601 -0.044 5.370 1.000 2 B 95.815 1 ATOM 2394 N NH2 . ARG 141 3821 ? B 3.802 0.070 7.320 1.000 2 B 95.815 1 ATOM 2395 N N . LEU 142 3822 ? B 3.985 6.828 1.020 1.000 2 B 96.159 1 ATOM 2396 C CA . LEU 142 3822 ? B 3.858 7.219 -0.380 1.000 2 B 96.159 1 ATOM 2397 C C . LEU 142 3822 ? B 5.009 8.127 -0.798 1.000 2 B 96.159 1 ATOM 2398 O O . LEU 142 3822 ? B 5.630 7.909 -1.841 1.000 2 B 96.159 1 ATOM 2399 C CB . LEU 142 3822 ? B 2.521 7.926 -0.619 1.000 2 B 96.159 1 ATOM 2400 C CG . LEU 142 3822 ? B 1.306 7.024 -0.841 1.000 2 B 96.159 1 ATOM 2401 C CD1 . LEU 142 3822 ? B 0.021 7.843 -0.793 1.000 2 B 96.159 1 ATOM 2402 C CD2 . LEU 142 3822 ? B 1.425 6.284 -2.170 1.000 2 B 96.159 1 ATOM 2403 N N . HIS 143 3823 ? B 5.297 9.074 0.043 1.000 2 B 95.712 1 ATOM 2404 C CA . HIS 143 3823 ? B 6.368 10.016 -0.260 1.000 2 B 95.712 1 ATOM 2405 C C . HIS 143 3823 ? B 7.725 9.321 -0.281 1.000 2 B 95.712 1 ATOM 2406 O O . HIS 143 3823 ? B 8.563 9.611 -1.137 1.000 2 B 95.712 1 ATOM 2407 C CB . HIS 143 3823 ? B 6.379 11.160 0.756 1.000 2 B 95.712 1 ATOM 2408 C CG . HIS 143 3823 ? B 5.291 12.164 0.542 1.000 2 B 95.712 1 ATOM 2409 N ND1 . HIS 143 3823 ? B 5.104 12.813 -0.659 1.000 2 B 95.712 1 ATOM 2410 C CD2 . HIS 143 3823 ? B 4.331 12.626 1.377 1.000 2 B 95.712 1 ATOM 2411 C CE1 . HIS 143 3823 ? B 4.074 13.635 -0.552 1.000 2 B 95.712 1 ATOM 2412 N NE2 . HIS 143 3823 ? B 3.587 13.540 0.674 1.000 2 B 95.712 1 ATOM 2413 N N . ASN 144 3824 ? B 7.872 8.382 0.579 1.000 2 B 95.107 1 ATOM 2414 C CA . ASN 144 3824 ? B 9.123 7.633 0.625 1.000 2 B 95.107 1 ATOM 2415 C C . ASN 144 3824 ? B 9.326 6.801 -0.638 1.000 2 B 95.107 1 ATOM 2416 O O . ASN 144 3824 ? B 10.437 6.729 -1.167 1.000 2 B 95.107 1 ATOM 2417 C CB . ASN 144 3824 ? B 9.166 6.736 1.864 1.000 2 B 95.107 1 ATOM 2418 C CG . ASN 144 3824 ? B 9.377 7.519 3.145 1.000 2 B 95.107 1 ATOM 2419 O OD1 . ASN 144 3824 ? B 9.903 8.634 3.126 1.000 2 B 95.107 1 ATOM 2420 N ND2 . ASN 144 3824 ? B 8.966 6.941 4.268 1.000 2 B 95.107 1 ATOM 2421 N N . LEU 145 3825 ? B 8.237 6.217 -1.113 1.000 2 B 95.378 1 ATOM 2422 C CA . LEU 145 3825 ? B 8.340 5.360 -2.289 1.000 2 B 95.378 1 ATOM 2423 C C . LEU 145 3825 ? B 8.467 6.193 -3.560 1.000 2 B 95.378 1 ATOM 2424 O O . LEU 145 3825 ? B 8.999 5.720 -4.567 1.000 2 B 95.378 1 ATOM 2425 C CB . LEU 145 3825 ? B 7.121 4.439 -2.389 1.000 2 B 95.378 1 ATOM 2426 C CG . LEU 145 3825 ? B 6.993 3.364 -1.309 1.000 2 B 95.378 1 ATOM 2427 C CD1 . LEU 145 3825 ? B 5.797 2.463 -1.596 1.000 2 B 95.378 1 ATOM 2428 C CD2 . LEU 145 3825 ? B 8.276 2.544 -1.214 1.000 2 B 95.378 1 ATOM 2429 N N . ALA 146 3826 ? B 8.018 7.435 -3.464 1.000 2 B 94.053 1 ATOM 2430 C CA . ALA 146 3826 ? B 8.047 8.312 -4.631 1.000 2 B 94.053 1 ATOM 2431 C C . ALA 146 3826 ? B 9.447 8.872 -4.863 1.000 2 B 94.053 1 ATOM 2432 O O . ALA 146 3826 ? B 9.766 9.329 -5.963 1.000 2 B 94.053 1 ATOM 2433 C CB . ALA 146 3826 ? B 7.043 9.451 -4.466 1.000 2 B 94.053 1 ATOM 2434 N N . GLN 147 3827 ? B 10.288 8.801 -3.886 1.000 2 B 91.077 1 ATOM 2435 C CA . GLN 147 3827 ? B 11.642 9.334 -3.995 1.000 2 B 91.077 1 ATOM 2436 C C . GLN 147 3827 ? B 12.548 8.382 -4.770 1.000 2 B 91.077 1 ATOM 2437 O O . GLN 147 3827 ? B 12.620 7.192 -4.456 1.000 2 B 91.077 1 ATOM 2438 C CB . GLN 147 3827 ? B 12.227 9.603 -2.608 1.000 2 B 91.077 1 ATOM 2439 C CG . GLN 147 3827 ? B 11.485 10.678 -1.825 1.000 2 B 91.077 1 ATOM 2440 C CD . GLN 147 3827 ? B 12.082 10.920 -0.451 1.000 2 B 91.077 1 ATOM 2441 O OE1 . GLN 147 3827 ? B 12.856 10.103 0.058 1.000 2 B 91.077 1 ATOM 2442 N NE2 . GLN 147 3827 ? B 11.726 12.045 0.160 1.000 2 B 91.077 1 ATOM 2443 N N . PHE 148 3828 ? B 13.007 8.783 -5.902 1.000 2 B 83.714 1 ATOM 2444 C CA . PHE 148 3828 ? B 13.905 7.998 -6.740 1.000 2 B 83.714 1 ATOM 2445 C C . PHE 148 3828 ? B 15.155 8.797 -7.091 1.000 2 B 83.714 1 ATOM 2446 O O . PHE 148 3828 ? B 15.082 9.778 -7.835 1.000 2 B 83.714 1 ATOM 2447 C CB . PHE 148 3828 ? B 13.193 7.548 -8.019 1.000 2 B 83.714 1 ATOM 2448 C CG . PHE 148 3828 ? B 14.019 6.636 -8.885 1.000 2 B 83.714 1 ATOM 2449 C CD1 . PHE 148 3828 ? B 14.588 7.101 -10.065 1.000 2 B 83.714 1 ATOM 2450 C CD2 . PHE 148 3828 ? B 14.227 5.312 -8.520 1.000 2 B 83.714 1 ATOM 2451 C CE1 . PHE 148 3828 ? B 15.353 6.259 -10.868 1.000 2 B 83.714 1 ATOM 2452 C CE2 . PHE 148 3828 ? B 14.990 4.465 -9.318 1.000 2 B 83.714 1 ATOM 2453 C CZ . PHE 148 3828 ? B 15.552 4.940 -10.492 1.000 2 B 83.714 1 ATOM 2454 N N . GLU 149 3829 ? B 16.224 8.715 -6.195 1.000 2 B 81.089 1 ATOM 2455 C CA . GLU 149 3829 ? B 17.468 9.438 -6.444 1.000 2 B 81.089 1 ATOM 2456 C C . GLU 149 3829 ? B 18.622 8.476 -6.710 1.000 2 B 81.089 1 ATOM 2457 O O . GLU 149 3829 ? B 18.848 7.541 -5.939 1.000 2 B 81.089 1 ATOM 2458 C CB . GLU 149 3829 ? B 17.806 10.351 -5.263 1.000 2 B 81.089 1 ATOM 2459 C CG . GLU 149 3829 ? B 18.905 11.360 -5.560 1.000 2 B 81.089 1 ATOM 2460 C CD . GLU 149 3829 ? B 19.100 12.379 -4.449 1.000 2 B 81.089 1 ATOM 2461 O OE1 . GLU 149 3829 ? B 19.950 13.286 -4.600 1.000 2 B 81.089 1 ATOM 2462 O OE2 . GLU 149 3829 ? B 18.399 12.269 -3.419 1.000 2 B 81.089 1 ATOM 2463 N N . GLY 150 3830 ? B 19.412 8.667 -8.011 1.000 2 B 72.526 1 ATOM 2464 C CA . GLY 150 3830 ? B 20.726 8.131 -8.330 1.000 2 B 72.526 1 ATOM 2465 C C . GLY 150 3830 ? B 20.691 6.671 -8.741 1.000 2 B 72.526 1 ATOM 2466 O O . GLY 150 3830 ? B 21.632 6.173 -9.362 1.000 2 B 72.526 1 ATOM 2467 N N . GLY 151 3831 ? B 19.743 5.827 -8.301 1.000 2 B 75.693 1 ATOM 2468 C CA . GLY 151 3831 ? B 19.630 4.416 -8.636 1.000 2 B 75.693 1 ATOM 2469 C C . GLY 151 3831 ? B 19.070 3.577 -7.503 1.000 2 B 75.693 1 ATOM 2470 O O . GLY 151 3831 ? B 18.779 2.393 -7.686 1.000 2 B 75.693 1 ATOM 2471 N N . GLU 152 3832 ? B 19.050 4.216 -6.336 1.000 2 B 82.538 1 ATOM 2472 C CA . GLU 152 3832 ? B 18.487 3.497 -5.197 1.000 2 B 82.538 1 ATOM 2473 C C . GLU 152 3832 ? B 17.040 3.912 -4.944 1.000 2 B 82.538 1 ATOM 2474 O O . GLU 152 3832 ? B 16.728 5.104 -4.901 1.000 2 B 82.538 1 ATOM 2475 C CB . GLU 152 3832 ? B 19.329 3.735 -3.941 1.000 2 B 82.538 1 ATOM 2476 C CG . GLU 152 3832 ? B 20.758 3.224 -4.054 1.000 2 B 82.538 1 ATOM 2477 C CD . GLU 152 3832 ? B 21.579 3.457 -2.795 1.000 2 B 82.538 1 ATOM 2478 O OE1 . GLU 152 3832 ? B 22.746 3.007 -2.740 1.000 2 B 82.538 1 ATOM 2479 O OE2 . GLU 152 3832 ? B 21.051 4.094 -1.857 1.000 2 B 82.538 1 ATOM 2480 N N . SER 153 3833 ? B 16.215 2.925 -5.122 1.000 2 B 90.091 1 ATOM 2481 C CA . SER 153 3833 ? B 14.803 3.152 -4.835 1.000 2 B 90.091 1 ATOM 2482 C C . SER 153 3833 ? B 14.347 2.345 -3.625 1.000 2 B 90.091 1 ATOM 2483 O O . SER 153 3833 ? B 14.768 1.201 -3.441 1.000 2 B 90.091 1 ATOM 2484 C CB . SER 153 3833 ? B 13.945 2.794 -6.050 1.000 2 B 90.091 1 ATOM 2485 O OG . SER 153 3833 ? B 12.566 2.854 -5.727 1.000 2 B 90.091 1 ATOM 2486 N N . LYS 154 3834 ? B 13.637 2.993 -2.689 1.000 2 B 94.383 1 ATOM 2487 C CA . LYS 154 3834 ? B 13.056 2.317 -1.532 1.000 2 B 94.383 1 ATOM 2488 C C . LYS 154 3834 ? B 12.163 1.157 -1.963 1.000 2 B 94.383 1 ATOM 2489 O O . LYS 154 3834 ? B 11.995 0.187 -1.221 1.000 2 B 94.383 1 ATOM 2490 C CB . LYS 154 3834 ? B 12.258 3.304 -0.678 1.000 2 B 94.383 1 ATOM 2491 C CG . LYS 154 3834 ? B 13.116 4.334 0.042 1.000 2 B 94.383 1 ATOM 2492 C CD . LYS 154 3834 ? B 12.286 5.184 0.995 1.000 2 B 94.383 1 ATOM 2493 C CE . LYS 154 3834 ? B 13.144 6.209 1.724 1.000 2 B 94.383 1 ATOM 2494 N NZ . LYS 154 3834 ? B 12.323 7.101 2.595 1.000 2 B 94.383 1 ATOM 2495 N N . VAL 155 3835 ? B 11.678 1.279 -3.154 1.000 2 B 95.064 1 ATOM 2496 C CA . VAL 155 3835 ? B 10.855 0.207 -3.704 1.000 2 B 95.064 1 ATOM 2497 C C . VAL 155 3835 ? B 11.698 -1.054 -3.878 1.000 2 B 95.064 1 ATOM 2498 O O . VAL 155 3835 ? B 11.251 -2.156 -3.552 1.000 2 B 95.064 1 ATOM 2499 C CB . VAL 155 3835 ? B 10.220 0.614 -5.052 1.000 2 B 95.064 1 ATOM 2500 C CG1 . VAL 155 3835 ? B 9.513 -0.577 -5.698 1.000 2 B 95.064 1 ATOM 2501 C CG2 . VAL 155 3835 ? B 9.245 1.774 -4.854 1.000 2 B 95.064 1 ATOM 2502 N N . ASN 156 3836 ? B 12.989 -0.881 -4.390 1.000 2 B 93.716 1 ATOM 2503 C CA . ASN 156 3836 ? B 13.892 -2.016 -4.550 1.000 2 B 93.716 1 ATOM 2504 C C . ASN 156 3836 ? B 14.208 -2.673 -3.210 1.000 2 B 93.716 1 ATOM 2505 O O . ASN 156 3836 ? B 14.322 -3.897 -3.125 1.000 2 B 93.716 1 ATOM 2506 C CB . ASN 156 3836 ? B 15.184 -1.580 -5.246 1.000 2 B 93.716 1 ATOM 2507 C CG . ASN 156 3836 ? B 15.013 -1.414 -6.743 1.000 2 B 93.716 1 ATOM 2508 O OD1 . ASN 156 3836 ? B 14.076 -1.954 -7.337 1.000 2 B 93.716 1 ATOM 2509 N ND2 . ASN 156 3836 ? B 15.917 -0.664 -7.363 1.000 2 B 93.716 1 ATOM 2510 N N . THR 157 3837 ? B 14.354 -1.871 -2.226 1.000 2 B 94.309 1 ATOM 2511 C CA . THR 157 3837 ? B 14.585 -2.383 -0.880 1.000 2 B 94.309 1 ATOM 2512 C C . THR 157 3837 ? B 13.391 -3.205 -0.402 1.000 2 B 94.309 1 ATOM 2513 O O . THR 157 3837 ? B 13.564 -4.249 0.230 1.000 2 B 94.309 1 ATOM 2514 C CB . THR 157 3837 ? B 14.853 -1.238 0.114 1.000 2 B 94.309 1 ATOM 2515 O OG1 . THR 157 3837 ? B 15.965 -0.462 -0.350 1.000 2 B 94.309 1 ATOM 2516 C CG2 . THR 157 3837 ? B 15.171 -1.779 1.504 1.000 2 B 94.309 1 ATOM 2517 N N . LEU 158 3838 ? B 12.179 -2.800 -0.718 1.000 2 B 95.123 1 ATOM 2518 C CA . LEU 158 3838 ? B 10.961 -3.506 -0.334 1.000 2 B 95.123 1 ATOM 2519 C C . LEU 158 3838 ? B 10.855 -4.842 -1.061 1.000 2 B 95.123 1 ATOM 2520 O O . LEU 158 3838 ? B 10.473 -5.850 -0.463 1.000 2 B 95.123 1 ATOM 2521 C CB . LEU 158 3838 ? B 9.728 -2.649 -0.633 1.000 2 B 95.123 1 ATOM 2522 C CG . LEU 158 3838 ? B 9.509 -1.437 0.274 1.000 2 B 95.123 1 ATOM 2523 C CD1 . LEU 158 3838 ? B 8.300 -0.635 -0.197 1.000 2 B 95.123 1 ATOM 2524 C CD2 . LEU 158 3838 ? B 9.333 -1.878 1.723 1.000 2 B 95.123 1 ATOM 2525 N N . VAL 159 3839 ? B 11.191 -4.749 -2.365 1.000 2 B 95.201 1 ATOM 2526 C CA . VAL 159 3839 ? B 11.154 -5.968 -3.168 1.000 2 B 95.201 1 ATOM 2527 C C . VAL 159 3839 ? B 12.153 -6.982 -2.614 1.000 2 B 95.201 1 ATOM 2528 O O . VAL 159 3839 ? B 11.835 -8.166 -2.479 1.000 2 B 95.201 1 ATOM 2529 C CB . VAL 159 3839 ? B 11.459 -5.678 -4.655 1.000 2 B 95.201 1 ATOM 2530 C CG1 . VAL 159 3839 ? B 11.642 -6.979 -5.432 1.000 2 B 95.201 1 ATOM 2531 C CG2 . VAL 159 3839 ? B 10.344 -4.835 -5.272 1.000 2 B 95.201 1 ATOM 2532 N N . ALA 160 3840 ? B 13.315 -6.523 -2.267 1.000 2 B 94.335 1 ATOM 2533 C CA . ALA 160 3840 ? B 14.336 -7.391 -1.686 1.000 2 B 94.335 1 ATOM 2534 C C . ALA 160 3840 ? B 13.871 -7.968 -0.352 1.000 2 B 94.335 1 ATOM 2535 O O . ALA 160 3840 ? B 14.092 -9.147 -0.067 1.000 2 B 94.335 1 ATOM 2536 C CB . ALA 160 3840 ? B 15.645 -6.627 -1.505 1.000 2 B 94.335 1 ATOM 2537 N N . ALA 161 3841 ? B 13.270 -7.097 0.452 1.000 2 B 94.578 1 ATOM 2538 C CA . ALA 161 3841 ? B 12.764 -7.531 1.751 1.000 2 B 94.578 1 ATOM 2539 C C . ALA 161 3841 ? B 11.652 -8.564 1.590 1.000 2 B 94.578 1 ATOM 2540 O O . ALA 161 3841 ? B 11.548 -9.503 2.382 1.000 2 B 94.578 1 ATOM 2541 C CB . ALA 161 3841 ? B 12.261 -6.333 2.553 1.000 2 B 94.578 1 ATOM 2542 N N . ALA 162 3842 ? B 10.823 -8.428 0.569 1.000 2 B 93.006 1 ATOM 2543 C CA . ALA 162 3842 ? B 9.703 -9.334 0.328 1.000 2 B 93.006 1 ATOM 2544 C C . ALA 162 3842 ? B 10.196 -10.704 -0.132 1.000 2 B 93.006 1 ATOM 2545 O O . ALA 162 3842 ? B 9.521 -11.715 0.076 1.000 2 B 93.006 1 ATOM 2546 C CB . ALA 162 3842 ? B 8.750 -8.740 -0.707 1.000 2 B 93.006 1 ATOM 2547 N N . ASN 163 3843 ? B 11.420 -10.754 -0.715 1.000 2 B 92.145 1 ATOM 2548 C CA . ASN 163 3843 ? B 11.969 -11.994 -1.256 1.000 2 B 92.145 1 ATOM 2549 C C . ASN 163 3843 ? B 13.088 -12.543 -0.375 1.000 2 B 92.145 1 ATOM 2550 O O . ASN 163 3843 ? B 13.708 -13.553 -0.710 1.000 2 B 92.145 1 ATOM 2551 C CB . ASN 163 3843 ? B 12.474 -11.780 -2.684 1.000 2 B 92.145 1 ATOM 2552 C CG . ASN 163 3843 ? B 11.357 -11.807 -3.709 1.000 2 B 92.145 1 ATOM 2553 O OD1 . ASN 163 3843 ? B 10.436 -12.624 -3.619 1.000 2 B 92.145 1 ATOM 2554 N ND2 . ASN 163 3843 ? B 11.429 -10.915 -4.689 1.000 2 B 92.145 1 ATOM 2555 N N . SER 164 3844 ? B 13.302 -11.899 0.716 1.000 2 B 93.159 1 ATOM 2556 C CA . SER 164 3844 ? B 14.386 -12.295 1.609 1.000 2 B 93.159 1 ATOM 2557 C C . SER 164 3844 ? B 14.048 -13.583 2.351 1.000 2 B 93.159 1 ATOM 2558 O O . SER 164 3844 ? B 12.988 -13.689 2.971 1.000 2 B 93.159 1 ATOM 2559 C CB . SER 164 3844 ? B 14.687 -11.182 2.613 1.000 2 B 93.159 1 ATOM 2560 O OG . SER 164 3844 ? B 15.619 -11.621 3.586 1.000 2 B 93.159 1 ATOM 2561 N N . LEU 165 3845 ? B 14.974 -14.524 2.298 1.000 2 B 91.355 1 ATOM 2562 C CA . LEU 165 3845 ? B 14.796 -15.812 2.960 1.000 2 B 91.355 1 ATOM 2563 C C . LEU 165 3845 ? B 14.625 -15.631 4.464 1.000 2 B 91.355 1 ATOM 2564 O O . LEU 165 3845 ? B 13.797 -16.302 5.084 1.000 2 B 91.355 1 ATOM 2565 C CB . LEU 165 3845 ? B 15.988 -16.729 2.676 1.000 2 B 91.355 1 ATOM 2566 C CG . LEU 165 3845 ? B 15.908 -18.143 3.254 1.000 2 B 91.355 1 ATOM 2567 C CD1 . LEU 165 3845 ? B 14.691 -18.875 2.697 1.000 2 B 91.355 1 ATOM 2568 C CD2 . LEU 165 3845 ? B 17.187 -18.917 2.954 1.000 2 B 91.355 1 ATOM 2569 N N . ASP 166 3846 ? B 15.326 -14.698 5.031 1.000 2 B 94.036 1 ATOM 2570 C CA . ASP 166 3846 ? B 15.260 -14.417 6.462 1.000 2 B 94.036 1 ATOM 2571 C C . ASP 166 3846 ? B 13.876 -13.909 6.859 1.000 2 B 94.036 1 ATOM 2572 O O . ASP 166 3846 ? B 13.327 -14.322 7.883 1.000 2 B 94.036 1 ATOM 2573 C CB . ASP 166 3846 ? B 16.329 -13.396 6.858 1.000 2 B 94.036 1 ATOM 2574 C CG . ASP 166 3846 ? B 17.737 -13.963 6.812 1.000 2 B 94.036 1 ATOM 2575 O OD1 . ASP 166 3846 ? B 17.915 -15.175 7.060 1.000 2 B 94.036 1 ATOM 2576 O OD2 . ASP 166 3846 ? B 18.678 -13.190 6.529 1.000 2 B 94.036 1 ATOM 2577 N N . ASN 167 3847 ? B 13.315 -13.072 6.074 1.000 2 B 93.400 1 ATOM 2578 C CA . ASN 167 3847 ? B 11.985 -12.542 6.353 1.000 2 B 93.400 1 ATOM 2579 C C . ASN 167 3847 ? B 10.904 -13.595 6.130 1.000 2 B 93.400 1 ATOM 2580 O O . ASN 167 3847 ? B 9.933 -13.664 6.887 1.000 2 B 93.400 1 ATOM 2581 C CB . ASN 167 3847 ? B 11.708 -11.307 5.493 1.000 2 B 93.400 1 ATOM 2582 C CG . ASN 167 3847 ? B 12.517 -10.100 5.926 1.000 2 B 93.400 1 ATOM 2583 O OD1 . ASN 167 3847 ? B 12.956 -10.012 7.076 1.000 2 B 93.400 1 ATOM 2584 N ND2 . ASN 167 3847 ? B 12.720 -9.162 5.009 1.000 2 B 93.400 1 ATOM 2585 N N . LEU 168 3848 ? B 11.189 -14.410 5.146 1.000 2 B 89.724 1 ATOM 2586 C CA . LEU 168 3848 ? B 10.201 -15.415 4.769 1.000 2 B 89.724 1 ATOM 2587 C C . LEU 168 3848 ? B 10.061 -16.475 5.857 1.000 2 B 89.724 1 ATOM 2588 O O . LEU 168 3848 ? B 8.974 -17.019 6.064 1.000 2 B 89.724 1 ATOM 2589 C CB . LEU 168 3848 ? B 10.587 -16.076 3.443 1.000 2 B 89.724 1 ATOM 2590 C CG . LEU 168 3848 ? B 10.438 -15.216 2.188 1.000 2 B 89.724 1 ATOM 2591 C CD1 . LEU 168 3848 ? B 10.981 -15.956 0.970 1.000 2 B 89.724 1 ATOM 2592 C CD2 . LEU 168 3848 ? B 8.978 -14.828 1.976 1.000 2 B 89.724 1 ATOM 2593 N N . CYS 169 3849 ? B 11.145 -16.720 6.574 1.000 2 B 90.052 1 ATOM 2594 C CA . CYS 169 3849 ? B 11.098 -17.724 7.631 1.000 2 B 90.052 1 ATOM 2595 C C . CYS 169 3849 ? B 10.283 -17.227 8.819 1.000 2 B 90.052 1 ATOM 2596 O O . CYS 169 3849 ? B 9.827 -18.024 9.641 1.000 2 B 90.052 1 ATOM 2597 C CB . CYS 169 3849 ? B 12.511 -18.089 8.087 1.000 2 B 90.052 1 ATOM 2598 S SG . CYS 169 3849 ? B 13.421 -16.709 8.813 1.000 2 B 90.052 1 ATOM 2599 N N . ARG 170 3850 ? B 10.086 -15.947 9.001 1.000 2 B 91.390 1 ATOM 2600 C CA . ARG 170 3850 ? B 9.346 -15.349 10.107 1.000 2 B 91.390 1 ATOM 2601 C C . ARG 170 3850 ? B 7.908 -15.044 9.702 1.000 2 B 91.390 1 ATOM 2602 O O . ARG 170 3850 ? B 7.127 -14.532 10.506 1.000 2 B 91.390 1 ATOM 2603 C CB . ARG 170 3850 ? B 10.037 -14.071 10.587 1.000 2 B 91.390 1 ATOM 2604 C CG . ARG 170 3850 ? B 11.422 -14.301 11.170 1.000 2 B 91.390 1 ATOM 2605 C CD . ARG 170 3850 ? B 12.095 -12.992 11.559 1.000 2 B 91.390 1 ATOM 2606 N NE . ARG 170 3850 ? B 13.469 -13.204 12.006 1.000 2 B 91.390 1 ATOM 2607 C CZ . ARG 170 3850 ? B 14.396 -12.254 12.084 1.000 2 B 91.390 1 ATOM 2608 N NH1 . ARG 170 3850 ? B 14.114 -11.001 11.745 1.000 2 B 91.390 1 ATOM 2609 N NH2 . ARG 170 3850 ? B 15.615 -12.557 12.505 1.000 2 B 91.390 1 ATOM 2610 N N . MET 171 3851 ? B 7.675 -15.399 8.377 1.000 2 B 87.942 1 ATOM 2611 C CA . MET 171 3851 ? B 6.354 -15.084 7.841 1.000 2 B 87.942 1 ATOM 2612 C C . MET 171 3851 ? B 5.300 -16.034 8.400 1.000 2 B 87.942 1 ATOM 2613 O O . MET 171 3851 ? B 5.591 -17.199 8.674 1.000 2 B 87.942 1 ATOM 2614 C CB . MET 171 3851 ? B 6.363 -15.152 6.313 1.000 2 B 87.942 1 ATOM 2615 C CG . MET 171 3851 ? B 5.047 -14.737 5.673 1.000 2 B 87.942 1 ATOM 2616 S SD . MET 171 3851 ? B 5.149 -14.662 3.843 1.000 2 B 87.942 1 ATOM 2617 C CE . MET 171 3851 ? B 5.422 -16.415 3.465 1.000 2 B 87.942 1 ATOM 2618 N N . ASP 172 3852 ? B 4.082 -15.579 8.617 1.000 2 B 85.315 1 ATOM 2619 C CA . ASP 172 3852 ? B 2.966 -16.411 9.056 1.000 2 B 85.315 1 ATOM 2620 C C . ASP 172 3852 ? B 2.741 -17.578 8.097 1.000 2 B 85.315 1 ATOM 2621 O O . ASP 172 3852 ? B 2.714 -17.390 6.879 1.000 2 B 85.315 1 ATOM 2622 C CB . ASP 172 3852 ? B 1.689 -15.577 9.178 1.000 2 B 85.315 1 ATOM 2623 C CG . ASP 172 3852 ? B 0.553 -16.327 9.850 1.000 2 B 85.315 1 ATOM 2624 O OD1 . ASP 172 3852 ? B 0.373 -17.533 9.577 1.000 2 B 85.315 1 ATOM 2625 O OD2 . ASP 172 3852 ? B -0.172 -15.705 10.657 1.000 2 B 85.315 1 ATOM 2626 N N . PRO 173 3853 ? B 2.610 -18.773 8.628 1.000 2 B 80.638 1 ATOM 2627 C CA . PRO 173 3853 ? B 2.444 -19.962 7.790 1.000 2 B 80.638 1 ATOM 2628 C C . PRO 173 3853 ? B 1.201 -19.891 6.904 1.000 2 B 80.638 1 ATOM 2629 O O . PRO 173 3853 ? B 1.134 -20.567 5.874 1.000 2 B 80.638 1 ATOM 2630 C CB . PRO 173 3853 ? B 2.324 -21.098 8.809 1.000 2 B 80.638 1 ATOM 2631 C CG . PRO 173 3853 ? B 2.984 -20.574 10.043 1.000 2 B 80.638 1 ATOM 2632 C CD . PRO 173 3853 ? B 2.799 -19.085 10.088 1.000 2 B 80.638 1 ATOM 2633 N N . ALA 174 3854 ? B 0.165 -19.073 7.186 1.000 2 B 78.874 1 ATOM 2634 C CA . ALA 174 3854 ? B -1.057 -18.942 6.397 1.000 2 B 78.874 1 ATOM 2635 C C . ALA 174 3854 ? B -0.773 -18.280 5.051 1.000 2 B 78.874 1 ATOM 2636 O O . ALA 174 3854 ? B -1.586 -18.362 4.128 1.000 2 B 78.874 1 ATOM 2637 C CB . ALA 174 3854 ? B -2.105 -18.143 7.168 1.000 2 B 78.874 1 ATOM 2638 N N . TRP 175 3855 ? B 0.461 -17.662 4.781 1.000 2 B 75.919 1 ATOM 2639 C CA . TRP 175 3855 ? B 0.911 -16.989 3.567 1.000 2 B 75.919 1 ATOM 2640 C C . TRP 175 3855 ? B 1.570 -17.977 2.610 1.000 2 B 75.919 1 ATOM 2641 O O . TRP 175 3855 ? B 2.373 -17.585 1.759 1.000 2 B 75.919 1 ATOM 2642 C CB . TRP 175 3855 ? B 1.888 -15.860 3.908 1.000 2 B 75.919 1 ATOM 2643 C CG . TRP 175 3855 ? B 1.257 -14.501 3.948 1.000 2 B 75.919 1 ATOM 2644 C CD1 . TRP 175 3855 ? B -0.042 -14.204 4.257 1.000 2 B 75.919 1 ATOM 2645 C CD2 . TRP 175 3855 ? B 1.897 -13.253 3.665 1.000 2 B 75.919 1 ATOM 2646 N NE1 . TRP 175 3855 ? B -0.247 -12.845 4.183 1.000 2 B 75.919 1 ATOM 2647 C CE2 . TRP 175 3855 ? B 0.927 -12.240 3.822 1.000 2 B 75.919 1 ATOM 2648 C CE3 . TRP 175 3855 ? B 3.200 -12.894 3.294 1.000 2 B 75.919 1 ATOM 2649 C CZ2 . TRP 175 3855 ? B 1.218 -10.889 3.620 1.000 2 B 75.919 1 ATOM 2650 C CZ3 . TRP 175 3855 ? B 3.488 -11.549 3.093 1.000 2 B 75.919 1 ATOM 2651 C CH2 . TRP 175 3855 ? B 2.500 -10.564 3.258 1.000 2 B 75.919 1 ATOM 2652 N N . HIS 176 3856 ? B 1.303 -19.329 2.877 1.000 2 B 64.332 1 ATOM 2653 C CA . HIS 176 3856 ? B 1.920 -20.391 2.091 1.000 2 B 64.332 1 ATOM 2654 C C . HIS 176 3856 ? B 2.152 -19.947 0.651 1.000 2 B 64.332 1 ATOM 2655 O O . HIS 176 3856 ? B 1.341 -19.211 0.085 1.000 2 B 64.332 1 ATOM 2656 C CB . HIS 176 3856 ? B 1.052 -21.651 2.118 1.000 2 B 64.332 1 ATOM 2657 C CG . HIS 176 3856 ? B 1.174 -22.435 3.386 1.000 2 B 64.332 1 ATOM 2658 N ND1 . HIS 176 3856 ? B 0.418 -22.162 4.505 1.000 2 B 64.332 1 ATOM 2659 C CD2 . HIS 176 3856 ? B 1.962 -23.488 3.708 1.000 2 B 64.332 1 ATOM 2660 C CE1 . HIS 176 3856 ? B 0.738 -23.015 5.464 1.000 2 B 64.332 1 ATOM 2661 N NE2 . HIS 176 3856 ? B 1.673 -23.830 5.006 1.000 2 B 64.332 1 ATOM 2662 N N . PRO 177 3857 ? B 3.161 -20.352 -0.027 1.000 2 B 62.886 1 ATOM 2663 C CA . PRO 177 3857 ? B 3.700 -20.100 -1.365 1.000 2 B 62.886 1 ATOM 2664 C C . PRO 177 3857 ? B 2.747 -20.534 -2.476 1.000 2 B 62.886 1 ATOM 2665 O O . PRO 177 3857 ? B 3.087 -20.440 -3.658 1.000 2 B 62.886 1 ATOM 2666 C CB . PRO 177 3857 ? B 4.984 -20.933 -1.391 1.000 2 B 62.886 1 ATOM 2667 C CG . PRO 177 3857 ? B 4.770 -21.997 -0.363 1.000 2 B 62.886 1 ATOM 2668 C CD . PRO 177 3857 ? B 3.744 -21.510 0.620 1.000 2 B 62.886 1 ATOM 2669 N N . TRP 178 3858 ? B 1.466 -20.926 -2.162 1.000 2 B 61.711 1 ATOM 2670 C CA . TRP 178 3858 ? B 0.805 -21.630 -3.256 1.000 2 B 61.711 1 ATOM 2671 C C . TRP 178 3858 ? B 0.145 -20.647 -4.217 1.000 2 B 61.711 1 ATOM 2672 O O . TRP 178 3858 ? B -0.369 -21.044 -5.265 1.000 2 B 61.711 1 ATOM 2673 C CB . TRP 178 3858 ? B -0.239 -22.610 -2.712 1.000 2 B 61.711 1 ATOM 2674 C CG . TRP 178 3858 ? B 0.275 -23.506 -1.626 1.000 2 B 61.711 1 ATOM 2675 C CD1 . TRP 178 3858 ? B 0.293 -23.247 -0.283 1.000 2 B 61.711 1 ATOM 2676 C CD2 . TRP 178 3858 ? B 0.850 -24.806 -1.792 1.000 2 B 61.711 1 ATOM 2677 N NE1 . TRP 178 3858 ? B 0.845 -24.309 0.396 1.000 2 B 61.711 1 ATOM 2678 C CE2 . TRP 178 3858 ? B 1.194 -25.278 -0.506 1.000 2 B 61.711 1 ATOM 2679 C CE3 . TRP 178 3858 ? B 1.106 -25.618 -2.904 1.000 2 B 61.711 1 ATOM 2680 C CZ2 . TRP 178 3858 ? B 1.783 -26.528 -0.302 1.000 2 B 61.711 1 ATOM 2681 C CZ3 . TRP 178 3858 ? B 1.692 -26.862 -2.699 1.000 2 B 61.711 1 ATOM 2682 C CH2 . TRP 178 3858 ? B 2.023 -27.303 -1.407 1.000 2 B 61.711 1 ATOM 2683 N N . LEU 179 3859 ? B 0.621 -19.436 -4.300 1.000 2 B 57.225 1 ATOM 2684 C CA . LEU 179 3859 ? B 0.504 -18.731 -5.572 1.000 2 B 57.225 1 ATOM 2685 C C . LEU 179 3859 ? B 1.880 -18.375 -6.124 1.000 2 B 57.225 1 ATOM 2686 O O . LEU 179 3859 ? B 2.131 -18.527 -7.322 1.000 2 B 57.225 1 ATOM 2687 C CB . LEU 179 3859 ? B -0.337 -17.463 -5.407 1.000 2 B 57.225 1 ATOM 2688 C CG . LEU 179 3859 ? B -1.854 -17.655 -5.367 1.000 2 B 57.225 1 ATOM 2689 C CD1 . LEU 179 3859 ? B -2.530 -16.419 -4.783 1.000 2 B 57.225 1 ATOM 2690 C CD2 . LEU 179 3859 ? B -2.392 -17.956 -6.761 1.000 2 B 57.225 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-t3vr3-015 https://modelarchive.org/api/projects/ma-t3vr3-015?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 _ma_associated_archive_file_details.data_id 1 1 ma-t3vr3-015_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error and contact probability' . 2 1 O00268-D1_Q9Y4A5-D32.i95.fas fasta 'multiple sequence alignments' 'Paired MSAs' 4 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 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT global . . 2 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT local . . 3 PAE 'Predicted aligned error (in Angstroms)' PAE local-pairwise . . 4 'contact probability' 'Contact probability of a pairwise interaction in [0,1]' 'contact probability' local-pairwise . . 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 1 63.656 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 2 48.867 2 1 A 2 ALA 2 51.603 3 1 A 3 ALA 2 58.391 4 1 A 4 GLY 2 58.792 5 1 A 5 SER 2 64.882 6 1 A 6 ASP 2 65.272 7 1 A 7 LEU 2 69.293 8 1 A 8 LEU 2 68.915 9 1 A 9 ASP 2 67.392 10 1 A 10 GLU 2 69.254 11 1 A 11 VAL 2 70.073 12 1 A 12 PHE 2 68.714 13 1 A 13 PHE 2 65.245 14 1 A 14 ASN 2 60.050 15 1 A 15 SER 2 60.087 16 1 A 16 GLU 2 63.734 17 1 A 17 VAL 2 68.077 18 1 A 18 ASP 2 80.549 19 1 A 19 GLU 2 87.129 20 1 A 20 LYS 2 89.254 21 1 A 21 VAL 2 87.666 22 1 A 22 VAL 2 87.482 23 1 A 23 SER 2 91.908 24 1 A 24 ASP 2 92.204 25 1 A 25 LEU 2 90.835 26 1 A 26 VAL 2 91.862 27 1 A 27 GLY 2 93.986 28 1 A 28 SER 2 92.869 29 1 A 29 LEU 2 91.884 30 1 A 30 GLU 2 92.368 31 1 A 31 SER 2 93.000 32 1 A 32 GLN 2 89.384 33 1 A 33 LEU 2 89.195 34 1 A 34 ALA 2 89.769 35 1 A 35 ALA 2 87.491 36 1 A 36 SER 2 82.428 37 1 A 37 ALA 2 76.283 38 1 A 38 ALA 2 68.721 39 1 A 39 HIS 2 58.433 40 1 A 40 HIS 2 53.389 41 1 A 41 HIS 2 46.946 42 1 A 42 HIS 2 39.060 43 1 A 43 LEU 2 34.809 44 1 A 44 ALA 2 31.915 45 1 A 45 PRO 2 37.664 46 1 A 46 ARG 2 30.488 47 1 A 47 THR 2 31.276 48 1 A 48 PRO 2 34.992 49 1 A 49 GLU 2 27.364 50 1 A 50 VAL 2 32.471 51 1 A 51 ARG 2 26.869 52 1 A 52 ALA 2 30.346 53 1 A 53 ALA 2 27.326 54 1 A 54 ALA 2 31.246 55 1 A 55 ALA 2 26.911 56 1 A 56 GLY 2 28.471 57 1 A 57 ALA 2 26.510 58 1 A 58 LEU 2 26.643 59 1 A 59 GLY 2 23.900 60 1 A 60 ASN 2 26.188 61 1 A 61 HIS 2 26.257 62 1 A 62 VAL 2 23.789 63 1 A 63 VAL 2 29.008 64 1 A 64 SER 2 22.598 65 1 A 65 GLY 2 27.483 66 1 A 66 SER 2 24.949 67 1 A 67 PRO 2 33.012 68 1 A 68 ALA 2 25.754 69 1 A 69 GLY 2 27.242 70 1 A 70 ALA 2 27.911 71 1 A 71 ALA 2 27.474 72 1 A 72 GLY 2 25.047 73 1 A 73 ALA 2 30.612 74 1 A 74 GLY 2 23.660 75 1 A 75 PRO 2 40.895 76 1 A 76 ALA 2 34.485 77 1 A 77 ALA 2 26.512 78 1 A 78 PRO 2 46.362 79 1 A 79 ALA 2 33.654 80 1 A 80 GLU 2 27.455 81 1 A 81 GLY 2 30.802 82 1 A 82 ALA 2 26.923 83 1 A 83 PRO 2 38.749 84 1 A 84 GLY 2 34.752 85 1 A 85 ALA 2 28.248 86 1 A 86 ALA 2 28.583 87 1 A 87 PRO 2 43.386 88 1 A 88 GLU 2 32.831 89 1 A 89 PRO 2 44.064 90 1 A 90 PRO 2 36.436 91 1 A 91 PRO 2 44.106 92 1 A 92 ALA 2 37.007 93 1 A 93 GLY 2 31.385 94 1 A 94 ARG 2 29.083 95 1 A 95 ALA 2 37.110 96 1 A 96 ARG 2 33.941 97 1 A 97 PRO 2 41.319 98 1 A 98 GLY 2 33.088 99 1 A 99 GLY 2 32.490 100 1 A 100 GLY 2 27.062 101 1 A 101 GLY 2 33.282 102 1 A 102 PRO 2 39.747 103 1 A 103 GLN 2 28.326 104 1 A 104 ARG 2 42.242 105 1 A 105 PRO 2 40.337 106 1 A 106 GLY 2 41.911 107 1 A 107 PRO 2 41.856 108 1 A 108 PRO 2 42.146 109 1 A 109 SER 2 43.583 110 1 A 110 PRO 2 42.304 111 1 A 111 ARG 2 34.138 112 1 A 112 ARG 2 41.446 113 1 A 113 PRO 2 39.699 114 1 A 114 LEU 2 33.879 115 1 A 115 VAL 2 42.857 116 1 A 116 PRO 2 44.012 117 1 A 117 ALA 2 39.609 118 1 A 118 GLY 2 36.686 119 1 A 119 PRO 2 41.959 120 1 A 120 ALA 2 38.797 121 1 A 121 PRO 2 39.444 122 1 A 122 PRO 2 38.308 123 1 A 123 ALA 2 34.124 124 1 A 124 ALA 2 34.223 125 1 A 125 LYS 2 33.045 126 1 A 126 LEU 2 28.778 127 1 A 127 ARG 2 33.124 128 1 A 128 PRO 2 33.982 129 1 A 129 PRO 2 33.589 130 1 A 130 PRO 2 31.237 131 1 A 131 GLU 2 27.468 132 1 A 132 GLY 2 30.511 133 1 A 133 SER 2 31.134 134 1 A 134 ALA 2 29.190 135 1 A 135 GLY 2 30.138 136 1 A 136 SER 2 27.179 137 1 A 137 CYS 2 30.803 138 1 A 138 ALA 2 30.937 139 1 A 139 PRO 2 30.047 140 1 A 140 VAL 2 31.519 141 1 A 141 PRO 2 30.263 142 1 A 142 ALA 2 27.476 143 1 A 143 ALA 2 27.417 144 1 A 144 ALA 2 27.424 145 1 A 145 ALA 2 25.642 146 1 A 146 VAL 2 29.088 147 1 A 147 ALA 2 24.896 148 1 A 148 ALA 2 26.047 149 1 A 149 GLY 2 22.855 150 1 A 150 PRO 2 31.797 151 1 A 151 GLU 2 29.919 152 1 A 152 PRO 2 31.870 153 1 A 153 ALA 2 29.365 154 1 A 154 PRO 2 33.853 155 1 A 155 ALA 2 30.753 156 1 A 156 GLY 2 23.594 157 1 A 157 PRO 2 32.159 158 1 A 158 ALA 2 30.779 159 1 A 159 LYS 2 24.046 160 1 A 160 PRO 2 33.298 161 1 A 161 ALA 2 28.041 162 1 A 162 GLY 2 32.304 163 1 A 163 PRO 2 35.861 164 1 A 164 ALA 2 38.988 165 1 A 165 ALA 2 29.536 166 1 A 166 LEU 2 28.097 167 1 A 167 ALA 2 32.095 168 1 A 168 ALA 2 32.146 169 1 A 169 ARG 2 30.783 170 1 A 170 ALA 2 28.224 171 1 A 171 GLY 2 31.580 172 1 A 172 PRO 2 34.664 173 1 A 173 GLY 2 33.678 174 1 A 174 PRO 2 42.448 175 1 A 175 GLY 2 35.155 176 1 A 176 PRO 2 38.800 177 1 A 177 GLY 2 37.256 178 1 A 178 PRO 2 37.567 179 1 A 179 GLY 2 36.144 180 1 A 180 PRO 2 42.286 181 1 A 181 GLY 2 37.201 182 1 A 182 PRO 2 39.022 183 1 A 183 GLY 2 27.903 184 1 A 184 PRO 2 39.770 185 1 A 185 GLY 2 38.350 186 1 A 186 PRO 2 40.763 187 1 A 187 GLY 2 41.598 188 1 A 188 LYS 2 36.229 189 1 A 189 PRO 2 46.397 190 1 A 190 ALA 2 43.744 191 1 A 191 GLY 2 33.658 192 1 A 192 PRO 2 46.084 193 1 A 193 GLY 2 35.861 194 1 A 194 ALA 2 37.412 195 1 A 195 ALA 2 35.985 196 1 A 196 GLN 2 43.122 197 1 A 197 THR 2 40.349 198 1 A 198 LEU 2 39.908 199 1 A 199 ASN 2 32.787 200 1 A 200 GLY 2 40.270 201 1 B 1 PHE 2 92.844 202 1 B 2 ALA 2 92.825 203 1 B 3 GLU 2 92.299 204 1 B 4 PHE 2 94.729 205 1 B 5 VAL 2 95.773 206 1 B 6 LEU 2 95.363 207 1 B 7 HIS 2 95.102 208 1 B 8 LEU 2 93.341 209 1 B 9 ASN 2 89.332 210 1 B 10 ARG 2 84.878 211 1 B 11 LEU 2 80.616 212 1 B 12 ASN 2 82.175 213 1 B 13 PRO 2 79.685 214 1 B 14 GLU 2 83.238 215 1 B 15 MET 2 85.281 216 1 B 16 LEU 2 84.613 217 1 B 17 GLN 2 87.887 218 1 B 18 ILE 2 89.341 219 1 B 19 ALA 2 92.558 220 1 B 20 GLN 2 93.167 221 1 B 21 ASP 2 95.203 222 1 B 22 THR 2 95.220 223 1 B 23 GLY 2 88.442 224 1 B 24 LYS 2 88.009 225 1 B 25 LEU 2 85.692 226 1 B 26 ASN 2 87.786 227 1 B 27 VAL 2 86.107 228 1 B 28 ALA 2 82.779 229 1 B 29 TYR 2 79.620 230 1 B 30 PHE 2 84.444 231 1 B 31 ARG 2 90.005 232 1 B 32 PHE 2 94.163 233 1 B 33 ASP 2 93.551 234 1 B 34 ILE 2 94.440 235 1 B 35 ASN 2 92.588 236 1 B 36 ASP 2 89.797 237 1 B 37 ALA 2 89.435 238 1 B 38 THR 2 90.757 239 1 B 39 GLY 2 90.584 240 1 B 40 ASP 2 93.466 241 1 B 41 LEU 2 95.073 242 1 B 42 ASP 2 91.052 243 1 B 43 ALA 2 85.081 244 1 B 44 ASN 2 86.068 245 1 B 45 ARG 2 88.571 246 1 B 46 PRO 2 91.311 247 1 B 47 VAL 2 92.506 248 1 B 48 PRO 2 92.858 249 1 B 49 PHE 2 91.906 250 1 B 50 ARG 2 89.186 251 1 B 51 LEU 2 90.457 252 1 B 52 THR 2 86.953 253 1 B 53 PRO 2 87.872 254 1 B 54 ASN 2 87.254 255 1 B 55 ILE 2 88.920 256 1 B 56 SER 2 91.283 257 1 B 57 GLU 2 92.106 258 1 B 58 PHE 2 90.128 259 1 B 59 LEU 2 92.545 260 1 B 60 THR 2 95.381 261 1 B 61 THR 2 93.869 262 1 B 62 ILE 2 94.735 263 1 B 63 GLY 2 94.676 264 1 B 64 VAL 2 94.664 265 1 B 65 SER 2 91.442 266 1 B 66 GLY 2 91.878 267 1 B 67 PRO 2 93.200 268 1 B 68 LEU 2 93.243 269 1 B 69 THR 2 93.717 270 1 B 70 ALA 2 92.881 271 1 B 71 SER 2 93.803 272 1 B 72 MET 2 95.305 273 1 B 73 ILE 2 94.506 274 1 B 74 ALA 2 93.724 275 1 B 75 VAL 2 95.012 276 1 B 76 ALA 2 95.641 277 1 B 77 ARG 2 93.297 278 1 B 78 CYS 2 93.667 279 1 B 79 PHE 2 94.387 280 1 B 80 ALA 2 93.998 281 1 B 81 GLN 2 92.226 282 1 B 82 PRO 2 89.215 283 1 B 83 ASN 2 89.256 284 1 B 84 PHE 2 90.021 285 1 B 85 LYS 2 90.075 286 1 B 86 VAL 2 92.310 287 1 B 87 ASP 2 92.954 288 1 B 88 GLY 2 91.389 289 1 B 89 ILE 2 91.546 290 1 B 90 LEU 2 94.357 291 1 B 91 LYS 2 94.219 292 1 B 92 THR 2 91.188 293 1 B 93 VAL 2 92.708 294 1 B 94 LEU 2 95.269 295 1 B 95 ARG 2 93.358 296 1 B 96 ASP 2 91.981 297 1 B 97 GLU 2 93.876 298 1 B 98 ILE 2 94.290 299 1 B 99 ILE 2 92.458 300 1 B 100 ALA 2 92.121 301 1 B 101 TRP 2 92.547 302 1 B 102 HIS 2 90.382 303 1 B 103 LYS 2 89.954 304 1 B 104 LYS 2 89.949 305 1 B 105 THR 2 87.133 306 1 B 106 GLN 2 83.591 307 1 B 107 GLU 2 83.134 308 1 B 108 ASP 2 78.055 309 1 B 109 THR 2 72.975 310 1 B 110 SER 2 63.454 311 1 B 111 SER 2 55.466 312 1 B 112 PRO 2 48.164 313 1 B 113 LEU 2 51.723 314 1 B 114 SER 2 51.000 315 1 B 115 ALA 2 53.401 316 1 B 116 ALA 2 56.044 317 1 B 117 GLY 2 54.482 318 1 B 118 GLN 2 55.060 319 1 B 119 PRO 2 57.198 320 1 B 120 GLU 2 66.847 321 1 B 121 ASN 2 72.983 322 1 B 122 MET 2 80.183 323 1 B 123 ASP 2 88.224 324 1 B 124 SER 2 88.765 325 1 B 125 GLN 2 90.440 326 1 B 126 GLN 2 91.419 327 1 B 127 LEU 2 92.563 328 1 B 128 VAL 2 93.618 329 1 B 129 SER 2 94.538 330 1 B 130 LEU 2 95.071 331 1 B 131 VAL 2 95.830 332 1 B 132 GLN 2 95.986 333 1 B 133 LYS 2 96.641 334 1 B 134 ALA 2 97.016 335 1 B 135 VAL 2 96.607 336 1 B 136 THR 2 96.907 337 1 B 137 ALA 2 96.739 338 1 B 138 ILE 2 97.376 339 1 B 139 MET 2 96.979 340 1 B 140 THR 2 96.401 341 1 B 141 ARG 2 95.815 342 1 B 142 LEU 2 96.159 343 1 B 143 HIS 2 95.712 344 1 B 144 ASN 2 95.107 345 1 B 145 LEU 2 95.378 346 1 B 146 ALA 2 94.053 347 1 B 147 GLN 2 91.077 348 1 B 148 PHE 2 83.714 349 1 B 149 GLU 2 81.089 350 1 B 150 GLY 2 72.526 351 1 B 151 GLY 2 75.693 352 1 B 152 GLU 2 82.538 353 1 B 153 SER 2 90.091 354 1 B 154 LYS 2 94.383 355 1 B 155 VAL 2 95.064 356 1 B 156 ASN 2 93.716 357 1 B 157 THR 2 94.309 358 1 B 158 LEU 2 95.123 359 1 B 159 VAL 2 95.201 360 1 B 160 ALA 2 94.335 361 1 B 161 ALA 2 94.578 362 1 B 162 ALA 2 93.006 363 1 B 163 ASN 2 92.145 364 1 B 164 SER 2 93.159 365 1 B 165 LEU 2 91.355 366 1 B 166 ASP 2 94.036 367 1 B 167 ASN 2 93.400 368 1 B 168 LEU 2 89.724 369 1 B 169 CYS 2 90.052 370 1 B 170 ARG 2 91.390 371 1 B 171 MET 2 87.942 372 1 B 172 ASP 2 85.315 373 1 B 173 PRO 2 80.638 374 1 B 174 ALA 2 78.874 375 1 B 175 TRP 2 75.919 376 1 B 176 HIS 2 64.332 377 1 B 177 PRO 2 62.886 378 1 B 178 TRP 2 61.711 379 1 B 179 LEU 2 57.225 _database_2.database_id ModelArchive _database_2.database_code ma-t3vr3-015 _database_2.pdbx_DOI 10.5452/ma-t3vr3-015 _pdbx_database_status.entry_id ma-t3vr3-015 _pdbx_database_status.date_coordinates 2022-09-28:22:27 _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 5 Prof. Qian Cong . Qian.Cong@UTSouthwestern.edu 'University of Texas Southwestern Medical Center' . . 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 2022-12-21 2 'Structure model' 1 1 2023-07-19 3 'Structure model' 1 2 2023-07-25 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' ? 2 3 'Structure model' repository Remediation 'Format compliance remediation' 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' Other 2 3 'Structure model' Other 3 3 'Structure model' 'Version format compliance' 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' exptl 2 3 'Structure model' ma_data 3 3 'Structure model' ma_associated_archive_file_details 4 3 'Structure model' audit_conform 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' '_exptl.entry_id' 2 2 'Structure model' '_exptl.method' 3 3 'Structure model' '_ma_data.content_type' 4 3 'Structure model' '_ma_data.content_type_other_details' 5 3 'Structure model' '_ma_associated_archive_file_details.data_id' 6 3 'Structure model' '_audit_conform.dict_location' 7 3 'Structure model' '_audit_conform.dict_version'