data_ma-t3vr3-305 _entry.id ma-t3vr3-305 _entry.ma_collection_id ma-t3vr3 _struct.entry_id ma-t3vr3-305 _struct.pdbx_model_details ;Predicted interaction between Apoptosis regulator Bcl-2 (residue 1 - 239) and Bcl2-associated agonist of cell death (residue 1 - 168). 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 BCL2 (1-239) and BAD (1-168)' _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) BCL2 (P10415; 1 - 239)' 30583.775 1 . 2 polymer nat 'Homo sapiens (Human) BAD (Q92934; 1 - 168)' 21426.648 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 . BCL2_HUMAN P10415 . 1 239 9606 'Homo sapiens (Human)' 1993-04-01 3C49F2B714DC9CCB 2 UNP . BAD_HUMAN Q92934 . 1 168 9606 'Homo sapiens (Human)' 2001-09-26 69FD8D27DDEE3241 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 ;MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTS PLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRD GVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLF DFSWLSLKTLLSLALVGACITLGAYLGHK ; ;MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTS PLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRD GVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLF DFSWLSLKTLLSLALVGACITLGAYLGHK ; 2 polypeptide(L) no no B ;MFQIPEFEPSEQEDSSSAERGLGPSPAGDGPSGSGKHHRQAPGLLWDASHQQEQPTSSSHHGGAGAVEIR SRHSSYPAGTEDDEGMGEEPSPFRGRSRSAPPNLWAAQRYGRELRRMSDEFVDSFKKGLPRPKSAGTATQ MRQSSSWTRVFQSWWDRNLGRGSSAPSQ ; ;MFQIPEFEPSEQEDSSSAERGLGPSPAGDGPSGSGKHHRQAPGLLWDASHQQEQPTSSSHHGGAGAVEIR SRHSSYPAGTEDDEGMGEEPSPFRGRSRSAPPNLWAAQRYGRELRRMSDEFVDSFKKGLPRPKSAGTATQ MRQSSSWTRVFQSWWDRNLGRGSSAPSQ ; 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 HIS . 1 4 ALA . 1 5 GLY . 1 6 ARG . 1 7 THR . 1 8 GLY . 1 9 TYR . 1 10 ASP . 1 11 ASN . 1 12 ARG . 1 13 GLU . 1 14 ILE . 1 15 VAL . 1 16 MET . 1 17 LYS . 1 18 TYR . 1 19 ILE . 1 20 HIS . 1 21 TYR . 1 22 LYS . 1 23 LEU . 1 24 SER . 1 25 GLN . 1 26 ARG . 1 27 GLY . 1 28 TYR . 1 29 GLU . 1 30 TRP . 1 31 ASP . 1 32 ALA . 1 33 GLY . 1 34 ASP . 1 35 VAL . 1 36 GLY . 1 37 ALA . 1 38 ALA . 1 39 PRO . 1 40 PRO . 1 41 GLY . 1 42 ALA . 1 43 ALA . 1 44 PRO . 1 45 ALA . 1 46 PRO . 1 47 GLY . 1 48 ILE . 1 49 PHE . 1 50 SER . 1 51 SER . 1 52 GLN . 1 53 PRO . 1 54 GLY . 1 55 HIS . 1 56 THR . 1 57 PRO . 1 58 HIS . 1 59 PRO . 1 60 ALA . 1 61 ALA . 1 62 SER . 1 63 ARG . 1 64 ASP . 1 65 PRO . 1 66 VAL . 1 67 ALA . 1 68 ARG . 1 69 THR . 1 70 SER . 1 71 PRO . 1 72 LEU . 1 73 GLN . 1 74 THR . 1 75 PRO . 1 76 ALA . 1 77 ALA . 1 78 PRO . 1 79 GLY . 1 80 ALA . 1 81 ALA . 1 82 ALA . 1 83 GLY . 1 84 PRO . 1 85 ALA . 1 86 LEU . 1 87 SER . 1 88 PRO . 1 89 VAL . 1 90 PRO . 1 91 PRO . 1 92 VAL . 1 93 VAL . 1 94 HIS . 1 95 LEU . 1 96 THR . 1 97 LEU . 1 98 ARG . 1 99 GLN . 1 100 ALA . 1 101 GLY . 1 102 ASP . 1 103 ASP . 1 104 PHE . 1 105 SER . 1 106 ARG . 1 107 ARG . 1 108 TYR . 1 109 ARG . 1 110 ARG . 1 111 ASP . 1 112 PHE . 1 113 ALA . 1 114 GLU . 1 115 MET . 1 116 SER . 1 117 SER . 1 118 GLN . 1 119 LEU . 1 120 HIS . 1 121 LEU . 1 122 THR . 1 123 PRO . 1 124 PHE . 1 125 THR . 1 126 ALA . 1 127 ARG . 1 128 GLY . 1 129 ARG . 1 130 PHE . 1 131 ALA . 1 132 THR . 1 133 VAL . 1 134 VAL . 1 135 GLU . 1 136 GLU . 1 137 LEU . 1 138 PHE . 1 139 ARG . 1 140 ASP . 1 141 GLY . 1 142 VAL . 1 143 ASN . 1 144 TRP . 1 145 GLY . 1 146 ARG . 1 147 ILE . 1 148 VAL . 1 149 ALA . 1 150 PHE . 1 151 PHE . 1 152 GLU . 1 153 PHE . 1 154 GLY . 1 155 GLY . 1 156 VAL . 1 157 MET . 1 158 CYS . 1 159 VAL . 1 160 GLU . 1 161 SER . 1 162 VAL . 1 163 ASN . 1 164 ARG . 1 165 GLU . 1 166 MET . 1 167 SER . 1 168 PRO . 1 169 LEU . 1 170 VAL . 1 171 ASP . 1 172 ASN . 1 173 ILE . 1 174 ALA . 1 175 LEU . 1 176 TRP . 1 177 MET . 1 178 THR . 1 179 GLU . 1 180 TYR . 1 181 LEU . 1 182 ASN . 1 183 ARG . 1 184 HIS . 1 185 LEU . 1 186 HIS . 1 187 THR . 1 188 TRP . 1 189 ILE . 1 190 GLN . 1 191 ASP . 1 192 ASN . 1 193 GLY . 1 194 GLY . 1 195 TRP . 1 196 ASP . 1 197 ALA . 1 198 PHE . 1 199 VAL . 1 200 GLU . 1 201 LEU . 1 202 TYR . 1 203 GLY . 1 204 PRO . 1 205 SER . 1 206 MET . 1 207 ARG . 1 208 PRO . 1 209 LEU . 1 210 PHE . 1 211 ASP . 1 212 PHE . 1 213 SER . 1 214 TRP . 1 215 LEU . 1 216 SER . 1 217 LEU . 1 218 LYS . 1 219 THR . 1 220 LEU . 1 221 LEU . 1 222 SER . 1 223 LEU . 1 224 ALA . 1 225 LEU . 1 226 VAL . 1 227 GLY . 1 228 ALA . 1 229 CYS . 1 230 ILE . 1 231 THR . 1 232 LEU . 1 233 GLY . 1 234 ALA . 1 235 TYR . 1 236 LEU . 1 237 GLY . 1 238 HIS . 1 239 LYS . 2 1 MET . 2 2 PHE . 2 3 GLN . 2 4 ILE . 2 5 PRO . 2 6 GLU . 2 7 PHE . 2 8 GLU . 2 9 PRO . 2 10 SER . 2 11 GLU . 2 12 GLN . 2 13 GLU . 2 14 ASP . 2 15 SER . 2 16 SER . 2 17 SER . 2 18 ALA . 2 19 GLU . 2 20 ARG . 2 21 GLY . 2 22 LEU . 2 23 GLY . 2 24 PRO . 2 25 SER . 2 26 PRO . 2 27 ALA . 2 28 GLY . 2 29 ASP . 2 30 GLY . 2 31 PRO . 2 32 SER . 2 33 GLY . 2 34 SER . 2 35 GLY . 2 36 LYS . 2 37 HIS . 2 38 HIS . 2 39 ARG . 2 40 GLN . 2 41 ALA . 2 42 PRO . 2 43 GLY . 2 44 LEU . 2 45 LEU . 2 46 TRP . 2 47 ASP . 2 48 ALA . 2 49 SER . 2 50 HIS . 2 51 GLN . 2 52 GLN . 2 53 GLU . 2 54 GLN . 2 55 PRO . 2 56 THR . 2 57 SER . 2 58 SER . 2 59 SER . 2 60 HIS . 2 61 HIS . 2 62 GLY . 2 63 GLY . 2 64 ALA . 2 65 GLY . 2 66 ALA . 2 67 VAL . 2 68 GLU . 2 69 ILE . 2 70 ARG . 2 71 SER . 2 72 ARG . 2 73 HIS . 2 74 SER . 2 75 SER . 2 76 TYR . 2 77 PRO . 2 78 ALA . 2 79 GLY . 2 80 THR . 2 81 GLU . 2 82 ASP . 2 83 ASP . 2 84 GLU . 2 85 GLY . 2 86 MET . 2 87 GLY . 2 88 GLU . 2 89 GLU . 2 90 PRO . 2 91 SER . 2 92 PRO . 2 93 PHE . 2 94 ARG . 2 95 GLY . 2 96 ARG . 2 97 SER . 2 98 ARG . 2 99 SER . 2 100 ALA . 2 101 PRO . 2 102 PRO . 2 103 ASN . 2 104 LEU . 2 105 TRP . 2 106 ALA . 2 107 ALA . 2 108 GLN . 2 109 ARG . 2 110 TYR . 2 111 GLY . 2 112 ARG . 2 113 GLU . 2 114 LEU . 2 115 ARG . 2 116 ARG . 2 117 MET . 2 118 SER . 2 119 ASP . 2 120 GLU . 2 121 PHE . 2 122 VAL . 2 123 ASP . 2 124 SER . 2 125 PHE . 2 126 LYS . 2 127 LYS . 2 128 GLY . 2 129 LEU . 2 130 PRO . 2 131 ARG . 2 132 PRO . 2 133 LYS . 2 134 SER . 2 135 ALA . 2 136 GLY . 2 137 THR . 2 138 ALA . 2 139 THR . 2 140 GLN . 2 141 MET . 2 142 ARG . 2 143 GLN . 2 144 SER . 2 145 SER . 2 146 SER . 2 147 TRP . 2 148 THR . 2 149 ARG . 2 150 VAL . 2 151 PHE . 2 152 GLN . 2 153 SER . 2 154 TRP . 2 155 TRP . 2 156 ASP . 2 157 ARG . 2 158 ASN . 2 159 LEU . 2 160 GLY . 2 161 ARG . 2 162 GLY . 2 163 SER . 2 164 SER . 2 165 ALA . 2 166 PRO . 2 167 SER . 2 168 GLN . 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 HIS 3 3 HIS HIS A . A 1 4 ALA 4 4 ALA ALA A . A 1 5 GLY 5 5 GLY GLY A . A 1 6 ARG 6 6 ARG ARG A . A 1 7 THR 7 7 THR THR A . A 1 8 GLY 8 8 GLY GLY A . A 1 9 TYR 9 9 TYR TYR A . A 1 10 ASP 10 10 ASP ASP A . A 1 11 ASN 11 11 ASN ASN A . A 1 12 ARG 12 12 ARG ARG A . A 1 13 GLU 13 13 GLU GLU A . A 1 14 ILE 14 14 ILE ILE A . A 1 15 VAL 15 15 VAL VAL A . A 1 16 MET 16 16 MET MET A . A 1 17 LYS 17 17 LYS LYS A . A 1 18 TYR 18 18 TYR TYR A . A 1 19 ILE 19 19 ILE ILE A . A 1 20 HIS 20 20 HIS HIS A . A 1 21 TYR 21 21 TYR TYR A . A 1 22 LYS 22 22 LYS LYS A . A 1 23 LEU 23 23 LEU LEU A . A 1 24 SER 24 24 SER SER A . A 1 25 GLN 25 25 GLN GLN A . A 1 26 ARG 26 26 ARG ARG A . A 1 27 GLY 27 27 GLY GLY A . A 1 28 TYR 28 28 TYR TYR A . A 1 29 GLU 29 29 GLU GLU A . A 1 30 TRP 30 30 TRP TRP A . A 1 31 ASP 31 31 ASP ASP A . A 1 32 ALA 32 32 ALA ALA A . A 1 33 GLY 33 33 GLY GLY A . A 1 34 ASP 34 34 ASP ASP A . A 1 35 VAL 35 35 VAL VAL A . A 1 36 GLY 36 36 GLY GLY A . A 1 37 ALA 37 37 ALA ALA A . A 1 38 ALA 38 38 ALA ALA A . A 1 39 PRO 39 39 PRO PRO A . A 1 40 PRO 40 40 PRO PRO A . A 1 41 GLY 41 41 GLY GLY A . A 1 42 ALA 42 42 ALA ALA A . A 1 43 ALA 43 43 ALA ALA A . A 1 44 PRO 44 44 PRO PRO A . A 1 45 ALA 45 45 ALA ALA A . A 1 46 PRO 46 46 PRO PRO A . A 1 47 GLY 47 47 GLY GLY A . A 1 48 ILE 48 48 ILE ILE A . A 1 49 PHE 49 49 PHE PHE A . A 1 50 SER 50 50 SER SER A . A 1 51 SER 51 51 SER SER A . A 1 52 GLN 52 52 GLN GLN A . A 1 53 PRO 53 53 PRO PRO A . A 1 54 GLY 54 54 GLY GLY A . A 1 55 HIS 55 55 HIS HIS A . A 1 56 THR 56 56 THR THR A . A 1 57 PRO 57 57 PRO PRO A . A 1 58 HIS 58 58 HIS HIS A . A 1 59 PRO 59 59 PRO PRO A . A 1 60 ALA 60 60 ALA ALA A . A 1 61 ALA 61 61 ALA ALA A . A 1 62 SER 62 62 SER SER A . A 1 63 ARG 63 63 ARG ARG A . A 1 64 ASP 64 64 ASP ASP A . A 1 65 PRO 65 65 PRO PRO A . A 1 66 VAL 66 66 VAL VAL A . A 1 67 ALA 67 67 ALA ALA A . A 1 68 ARG 68 68 ARG ARG A . A 1 69 THR 69 69 THR THR A . A 1 70 SER 70 70 SER SER A . A 1 71 PRO 71 71 PRO PRO A . A 1 72 LEU 72 72 LEU LEU A . A 1 73 GLN 73 73 GLN GLN A . A 1 74 THR 74 74 THR THR 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 GLY 79 79 GLY GLY A . A 1 80 ALA 80 80 ALA ALA A . A 1 81 ALA 81 81 ALA ALA A . A 1 82 ALA 82 82 ALA ALA A . A 1 83 GLY 83 83 GLY GLY A . A 1 84 PRO 84 84 PRO PRO A . A 1 85 ALA 85 85 ALA ALA A . A 1 86 LEU 86 86 LEU LEU A . A 1 87 SER 87 87 SER SER A . A 1 88 PRO 88 88 PRO PRO A . A 1 89 VAL 89 89 VAL VAL A . A 1 90 PRO 90 90 PRO PRO A . A 1 91 PRO 91 91 PRO PRO A . A 1 92 VAL 92 92 VAL VAL A . A 1 93 VAL 93 93 VAL VAL A . A 1 94 HIS 94 94 HIS HIS A . A 1 95 LEU 95 95 LEU LEU A . A 1 96 THR 96 96 THR THR A . A 1 97 LEU 97 97 LEU LEU A . A 1 98 ARG 98 98 ARG ARG A . A 1 99 GLN 99 99 GLN GLN A . A 1 100 ALA 100 100 ALA ALA A . A 1 101 GLY 101 101 GLY GLY A . A 1 102 ASP 102 102 ASP ASP A . A 1 103 ASP 103 103 ASP ASP A . A 1 104 PHE 104 104 PHE PHE A . A 1 105 SER 105 105 SER SER A . A 1 106 ARG 106 106 ARG ARG A . A 1 107 ARG 107 107 ARG ARG A . A 1 108 TYR 108 108 TYR TYR A . A 1 109 ARG 109 109 ARG ARG A . A 1 110 ARG 110 110 ARG ARG A . A 1 111 ASP 111 111 ASP ASP A . A 1 112 PHE 112 112 PHE PHE A . A 1 113 ALA 113 113 ALA ALA A . A 1 114 GLU 114 114 GLU GLU A . A 1 115 MET 115 115 MET MET A . A 1 116 SER 116 116 SER SER A . A 1 117 SER 117 117 SER SER A . A 1 118 GLN 118 118 GLN GLN A . A 1 119 LEU 119 119 LEU LEU A . A 1 120 HIS 120 120 HIS HIS A . A 1 121 LEU 121 121 LEU LEU A . A 1 122 THR 122 122 THR THR A . A 1 123 PRO 123 123 PRO PRO A . A 1 124 PHE 124 124 PHE PHE A . A 1 125 THR 125 125 THR THR A . A 1 126 ALA 126 126 ALA ALA A . A 1 127 ARG 127 127 ARG ARG A . A 1 128 GLY 128 128 GLY GLY A . A 1 129 ARG 129 129 ARG ARG A . A 1 130 PHE 130 130 PHE PHE A . A 1 131 ALA 131 131 ALA ALA A . A 1 132 THR 132 132 THR THR A . A 1 133 VAL 133 133 VAL VAL A . A 1 134 VAL 134 134 VAL VAL A . A 1 135 GLU 135 135 GLU GLU A . A 1 136 GLU 136 136 GLU GLU A . A 1 137 LEU 137 137 LEU LEU A . A 1 138 PHE 138 138 PHE PHE A . A 1 139 ARG 139 139 ARG ARG A . A 1 140 ASP 140 140 ASP ASP A . A 1 141 GLY 141 141 GLY GLY A . A 1 142 VAL 142 142 VAL VAL A . A 1 143 ASN 143 143 ASN ASN A . A 1 144 TRP 144 144 TRP TRP A . A 1 145 GLY 145 145 GLY GLY A . A 1 146 ARG 146 146 ARG ARG A . A 1 147 ILE 147 147 ILE ILE A . A 1 148 VAL 148 148 VAL VAL A . A 1 149 ALA 149 149 ALA ALA A . A 1 150 PHE 150 150 PHE PHE A . A 1 151 PHE 151 151 PHE PHE A . A 1 152 GLU 152 152 GLU GLU A . A 1 153 PHE 153 153 PHE PHE A . A 1 154 GLY 154 154 GLY GLY A . A 1 155 GLY 155 155 GLY GLY A . A 1 156 VAL 156 156 VAL VAL A . A 1 157 MET 157 157 MET MET A . A 1 158 CYS 158 158 CYS CYS A . A 1 159 VAL 159 159 VAL VAL A . A 1 160 GLU 160 160 GLU GLU A . A 1 161 SER 161 161 SER SER A . A 1 162 VAL 162 162 VAL VAL A . A 1 163 ASN 163 163 ASN ASN A . A 1 164 ARG 164 164 ARG ARG A . A 1 165 GLU 165 165 GLU GLU A . A 1 166 MET 166 166 MET MET A . A 1 167 SER 167 167 SER SER A . A 1 168 PRO 168 168 PRO PRO A . A 1 169 LEU 169 169 LEU LEU A . A 1 170 VAL 170 170 VAL VAL A . A 1 171 ASP 171 171 ASP ASP A . A 1 172 ASN 172 172 ASN ASN A . A 1 173 ILE 173 173 ILE ILE A . A 1 174 ALA 174 174 ALA ALA A . A 1 175 LEU 175 175 LEU LEU A . A 1 176 TRP 176 176 TRP TRP A . A 1 177 MET 177 177 MET MET A . A 1 178 THR 178 178 THR THR A . A 1 179 GLU 179 179 GLU GLU A . A 1 180 TYR 180 180 TYR TYR A . A 1 181 LEU 181 181 LEU LEU A . A 1 182 ASN 182 182 ASN ASN A . A 1 183 ARG 183 183 ARG ARG A . A 1 184 HIS 184 184 HIS HIS A . A 1 185 LEU 185 185 LEU LEU A . A 1 186 HIS 186 186 HIS HIS A . A 1 187 THR 187 187 THR THR A . A 1 188 TRP 188 188 TRP TRP A . A 1 189 ILE 189 189 ILE ILE A . A 1 190 GLN 190 190 GLN GLN A . A 1 191 ASP 191 191 ASP ASP A . A 1 192 ASN 192 192 ASN ASN A . A 1 193 GLY 193 193 GLY GLY A . A 1 194 GLY 194 194 GLY GLY A . A 1 195 TRP 195 195 TRP TRP A . A 1 196 ASP 196 196 ASP ASP A . A 1 197 ALA 197 197 ALA ALA A . A 1 198 PHE 198 198 PHE PHE A . A 1 199 VAL 199 199 VAL VAL A . A 1 200 GLU 200 200 GLU GLU A . A 1 201 LEU 201 201 LEU LEU A . A 1 202 TYR 202 202 TYR TYR A . A 1 203 GLY 203 203 GLY GLY A . A 1 204 PRO 204 204 PRO PRO A . A 1 205 SER 205 205 SER SER A . A 1 206 MET 206 206 MET MET A . A 1 207 ARG 207 207 ARG ARG A . A 1 208 PRO 208 208 PRO PRO A . A 1 209 LEU 209 209 LEU LEU A . A 1 210 PHE 210 210 PHE PHE A . A 1 211 ASP 211 211 ASP ASP A . A 1 212 PHE 212 212 PHE PHE A . A 1 213 SER 213 213 SER SER A . A 1 214 TRP 214 214 TRP TRP A . A 1 215 LEU 215 215 LEU LEU A . A 1 216 SER 216 216 SER SER A . A 1 217 LEU 217 217 LEU LEU A . A 1 218 LYS 218 218 LYS LYS A . A 1 219 THR 219 219 THR THR A . A 1 220 LEU 220 220 LEU LEU A . A 1 221 LEU 221 221 LEU LEU A . A 1 222 SER 222 222 SER SER A . A 1 223 LEU 223 223 LEU LEU A . A 1 224 ALA 224 224 ALA ALA A . A 1 225 LEU 225 225 LEU LEU A . A 1 226 VAL 226 226 VAL VAL A . A 1 227 GLY 227 227 GLY GLY A . A 1 228 ALA 228 228 ALA ALA A . A 1 229 CYS 229 229 CYS CYS A . A 1 230 ILE 230 230 ILE ILE A . A 1 231 THR 231 231 THR THR A . A 1 232 LEU 232 232 LEU LEU A . A 1 233 GLY 233 233 GLY GLY A . A 1 234 ALA 234 234 ALA ALA A . A 1 235 TYR 235 235 TYR TYR A . A 1 236 LEU 236 236 LEU LEU A . A 1 237 GLY 237 237 GLY GLY A . A 1 238 HIS 238 238 HIS HIS A . A 1 239 LYS 239 239 LYS LYS A . B 2 1 MET 1 1 MET MET B . B 2 2 PHE 2 2 PHE PHE B . B 2 3 GLN 3 3 GLN GLN B . B 2 4 ILE 4 4 ILE ILE B . B 2 5 PRO 5 5 PRO PRO B . B 2 6 GLU 6 6 GLU GLU B . B 2 7 PHE 7 7 PHE PHE B . B 2 8 GLU 8 8 GLU GLU B . B 2 9 PRO 9 9 PRO PRO B . B 2 10 SER 10 10 SER SER B . B 2 11 GLU 11 11 GLU GLU B . B 2 12 GLN 12 12 GLN GLN B . B 2 13 GLU 13 13 GLU GLU B . B 2 14 ASP 14 14 ASP ASP B . B 2 15 SER 15 15 SER SER B . B 2 16 SER 16 16 SER SER B . B 2 17 SER 17 17 SER SER B . B 2 18 ALA 18 18 ALA ALA B . B 2 19 GLU 19 19 GLU GLU B . B 2 20 ARG 20 20 ARG ARG B . B 2 21 GLY 21 21 GLY GLY B . B 2 22 LEU 22 22 LEU LEU B . B 2 23 GLY 23 23 GLY GLY B . B 2 24 PRO 24 24 PRO PRO B . B 2 25 SER 25 25 SER SER B . B 2 26 PRO 26 26 PRO PRO B . B 2 27 ALA 27 27 ALA ALA B . B 2 28 GLY 28 28 GLY GLY B . B 2 29 ASP 29 29 ASP ASP B . B 2 30 GLY 30 30 GLY GLY B . B 2 31 PRO 31 31 PRO PRO B . B 2 32 SER 32 32 SER SER B . B 2 33 GLY 33 33 GLY GLY B . B 2 34 SER 34 34 SER SER B . B 2 35 GLY 35 35 GLY GLY B . B 2 36 LYS 36 36 LYS LYS B . B 2 37 HIS 37 37 HIS HIS B . B 2 38 HIS 38 38 HIS HIS B . B 2 39 ARG 39 39 ARG ARG B . B 2 40 GLN 40 40 GLN GLN B . B 2 41 ALA 41 41 ALA ALA B . B 2 42 PRO 42 42 PRO PRO B . B 2 43 GLY 43 43 GLY GLY B . B 2 44 LEU 44 44 LEU LEU B . B 2 45 LEU 45 45 LEU LEU B . B 2 46 TRP 46 46 TRP TRP B . B 2 47 ASP 47 47 ASP ASP B . B 2 48 ALA 48 48 ALA ALA B . B 2 49 SER 49 49 SER SER B . B 2 50 HIS 50 50 HIS HIS B . B 2 51 GLN 51 51 GLN GLN B . B 2 52 GLN 52 52 GLN GLN B . B 2 53 GLU 53 53 GLU GLU B . B 2 54 GLN 54 54 GLN GLN B . B 2 55 PRO 55 55 PRO PRO B . B 2 56 THR 56 56 THR THR B . B 2 57 SER 57 57 SER SER B . B 2 58 SER 58 58 SER SER B . B 2 59 SER 59 59 SER SER B . B 2 60 HIS 60 60 HIS HIS B . B 2 61 HIS 61 61 HIS HIS B . B 2 62 GLY 62 62 GLY GLY B . B 2 63 GLY 63 63 GLY GLY B . B 2 64 ALA 64 64 ALA ALA B . B 2 65 GLY 65 65 GLY GLY B . B 2 66 ALA 66 66 ALA ALA B . B 2 67 VAL 67 67 VAL VAL B . B 2 68 GLU 68 68 GLU GLU B . B 2 69 ILE 69 69 ILE ILE B . B 2 70 ARG 70 70 ARG ARG B . B 2 71 SER 71 71 SER SER B . B 2 72 ARG 72 72 ARG ARG B . B 2 73 HIS 73 73 HIS HIS B . B 2 74 SER 74 74 SER SER B . B 2 75 SER 75 75 SER SER B . B 2 76 TYR 76 76 TYR TYR B . B 2 77 PRO 77 77 PRO PRO B . B 2 78 ALA 78 78 ALA ALA B . B 2 79 GLY 79 79 GLY GLY B . B 2 80 THR 80 80 THR THR B . B 2 81 GLU 81 81 GLU GLU B . B 2 82 ASP 82 82 ASP ASP B . B 2 83 ASP 83 83 ASP ASP B . B 2 84 GLU 84 84 GLU GLU B . B 2 85 GLY 85 85 GLY GLY B . B 2 86 MET 86 86 MET MET B . B 2 87 GLY 87 87 GLY GLY B . B 2 88 GLU 88 88 GLU GLU B . B 2 89 GLU 89 89 GLU GLU B . B 2 90 PRO 90 90 PRO PRO B . B 2 91 SER 91 91 SER SER B . B 2 92 PRO 92 92 PRO PRO B . B 2 93 PHE 93 93 PHE PHE B . B 2 94 ARG 94 94 ARG ARG B . B 2 95 GLY 95 95 GLY GLY B . B 2 96 ARG 96 96 ARG ARG B . B 2 97 SER 97 97 SER SER B . B 2 98 ARG 98 98 ARG ARG B . B 2 99 SER 99 99 SER SER B . B 2 100 ALA 100 100 ALA ALA B . B 2 101 PRO 101 101 PRO PRO B . B 2 102 PRO 102 102 PRO PRO B . B 2 103 ASN 103 103 ASN ASN B . B 2 104 LEU 104 104 LEU LEU B . B 2 105 TRP 105 105 TRP TRP B . B 2 106 ALA 106 106 ALA ALA B . B 2 107 ALA 107 107 ALA ALA B . B 2 108 GLN 108 108 GLN GLN B . B 2 109 ARG 109 109 ARG ARG B . B 2 110 TYR 110 110 TYR TYR B . B 2 111 GLY 111 111 GLY GLY B . B 2 112 ARG 112 112 ARG ARG B . B 2 113 GLU 113 113 GLU GLU B . B 2 114 LEU 114 114 LEU LEU B . B 2 115 ARG 115 115 ARG ARG B . B 2 116 ARG 116 116 ARG ARG B . B 2 117 MET 117 117 MET MET B . B 2 118 SER 118 118 SER SER B . B 2 119 ASP 119 119 ASP ASP B . B 2 120 GLU 120 120 GLU GLU B . B 2 121 PHE 121 121 PHE PHE B . B 2 122 VAL 122 122 VAL VAL B . B 2 123 ASP 123 123 ASP ASP B . B 2 124 SER 124 124 SER SER B . B 2 125 PHE 125 125 PHE PHE B . B 2 126 LYS 126 126 LYS LYS B . B 2 127 LYS 127 127 LYS LYS B . B 2 128 GLY 128 128 GLY GLY B . B 2 129 LEU 129 129 LEU LEU B . B 2 130 PRO 130 130 PRO PRO B . B 2 131 ARG 131 131 ARG ARG B . B 2 132 PRO 132 132 PRO PRO B . B 2 133 LYS 133 133 LYS LYS B . B 2 134 SER 134 134 SER SER B . B 2 135 ALA 135 135 ALA ALA B . B 2 136 GLY 136 136 GLY GLY B . B 2 137 THR 137 137 THR THR B . B 2 138 ALA 138 138 ALA ALA B . B 2 139 THR 139 139 THR THR B . B 2 140 GLN 140 140 GLN GLN B . B 2 141 MET 141 141 MET MET B . B 2 142 ARG 142 142 ARG ARG B . B 2 143 GLN 143 143 GLN GLN B . B 2 144 SER 144 144 SER SER B . B 2 145 SER 145 145 SER SER B . B 2 146 SER 146 146 SER SER B . B 2 147 TRP 147 147 TRP TRP B . B 2 148 THR 148 148 THR THR B . B 2 149 ARG 149 149 ARG ARG B . B 2 150 VAL 150 150 VAL VAL B . B 2 151 PHE 151 151 PHE PHE B . B 2 152 GLN 152 152 GLN GLN B . B 2 153 SER 153 153 SER SER B . B 2 154 TRP 154 154 TRP TRP B . B 2 155 TRP 155 155 TRP TRP B . B 2 156 ASP 156 156 ASP ASP B . B 2 157 ARG 157 157 ARG ARG B . B 2 158 ASN 158 158 ASN ASN B . B 2 159 LEU 159 159 LEU LEU B . B 2 160 GLY 160 160 GLY GLY B . B 2 161 ARG 161 161 ARG ARG B . B 2 162 GLY 162 162 GLY GLY B . B 2 163 SER 163 163 SER SER B . B 2 164 SER 164 164 SER SER B . B 2 165 ALA 165 165 ALA ALA B . B 2 166 PRO 166 166 PRO PRO B . B 2 167 SER 167 167 SER SER B . B 2 168 GLN 168 168 GLN GLN B . loop_ _ma_data.id _ma_data.name _ma_data.content_type 1 'Homo sapiens (Human) BCL2 (P10415; 1 - 239)' target 2 'Homo sapiens (Human) BAD (Q92934; 1 - 168)' 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 18.594 -7.049 -24.440 1.000 1 A 36.042 1 ATOM 2 C CA . MET 1 1 ? A 17.220 -7.257 -24.888 1.000 1 A 36.042 1 ATOM 3 C C . MET 1 1 ? A 16.534 -8.335 -24.056 1.000 1 A 36.042 1 ATOM 4 O O . MET 1 1 ? A 16.828 -9.522 -24.206 1.000 1 A 36.042 1 ATOM 5 C CB . MET 1 1 ? A 17.189 -7.640 -26.368 1.000 1 A 36.042 1 ATOM 6 C CG . MET 1 1 ? A 17.495 -6.485 -27.307 1.000 1 A 36.042 1 ATOM 7 S SD . MET 1 1 ? A 16.458 -6.514 -28.821 1.000 1 A 36.042 1 ATOM 8 C CE . MET 1 1 ? A 17.052 -5.011 -29.645 1.000 1 A 36.042 1 ATOM 9 N N . ALA 2 2 ? A 16.363 -8.231 -22.621 1.000 1 A 41.263 1 ATOM 10 C CA . ALA 2 2 ? A 15.843 -9.303 -21.777 1.000 1 A 41.263 1 ATOM 11 C C . ALA 2 2 ? A 14.345 -9.136 -21.539 1.000 1 A 41.263 1 ATOM 12 O O . ALA 2 2 ? A 13.877 -8.035 -21.239 1.000 1 A 41.263 1 ATOM 13 C CB . ALA 2 2 ? A 16.589 -9.343 -20.446 1.000 1 A 41.263 1 ATOM 14 N N . HIS 3 3 ? A 13.536 -9.480 -22.525 1.000 1 A 44.244 1 ATOM 15 C CA . HIS 3 3 ? A 12.129 -9.855 -22.445 1.000 1 A 44.244 1 ATOM 16 C C . HIS 3 3 ? A 11.704 -10.092 -20.999 1.000 1 A 44.244 1 ATOM 17 O O . HIS 3 3 ? A 12.035 -11.124 -20.412 1.000 1 A 44.244 1 ATOM 18 C CB . HIS 3 3 ? A 11.858 -11.105 -23.283 1.000 1 A 44.244 1 ATOM 19 C CG . HIS 3 3 ? A 12.030 -10.890 -24.754 1.000 1 A 44.244 1 ATOM 20 N ND1 . HIS 3 3 ? A 11.270 -9.989 -25.468 1.000 1 A 44.244 1 ATOM 21 C CD2 . HIS 3 3 ? A 12.878 -11.459 -25.642 1.000 1 A 44.244 1 ATOM 22 C CE1 . HIS 3 3 ? A 11.644 -10.014 -26.736 1.000 1 A 44.244 1 ATOM 23 N NE2 . HIS 3 3 ? A 12.619 -10.898 -26.868 1.000 1 A 44.244 1 ATOM 24 N N . ALA 4 4 ? A 12.096 -9.190 -20.022 1.000 1 A 48.603 1 ATOM 25 C CA . ALA 4 4 ? A 11.656 -9.321 -18.636 1.000 1 A 48.603 1 ATOM 26 C C . ALA 4 4 ? A 10.252 -9.915 -18.559 1.000 1 A 48.603 1 ATOM 27 O O . ALA 4 4 ? A 9.307 -9.366 -19.130 1.000 1 A 48.603 1 ATOM 28 C CB . ALA 4 4 ? A 11.695 -7.965 -17.935 1.000 1 A 48.603 1 ATOM 29 N N . GLY 5 5 ? A 9.974 -11.039 -18.986 1.000 1 A 49.246 1 ATOM 30 C CA . GLY 5 5 ? A 9.248 -12.181 -18.455 1.000 1 A 49.246 1 ATOM 31 C C . GLY 5 5 ? A 7.923 -11.804 -17.819 1.000 1 A 49.246 1 ATOM 32 O O . GLY 5 5 ? A 7.890 -11.063 -16.835 1.000 1 A 49.246 1 ATOM 33 N N . ARG 6 6 ? A 6.964 -11.274 -18.570 1.000 1 A 56.874 1 ATOM 34 C CA . ARG 6 6 ? A 5.510 -11.318 -18.459 1.000 1 A 56.874 1 ATOM 35 C C . ARG 6 6 ? A 5.070 -12.357 -17.434 1.000 1 A 56.874 1 ATOM 36 O O . ARG 6 6 ? A 4.445 -13.360 -17.787 1.000 1 A 56.874 1 ATOM 37 C CB . ARG 6 6 ? A 4.876 -11.622 -19.818 1.000 1 A 56.874 1 ATOM 38 C CG . ARG 6 6 ? A 4.442 -10.383 -20.586 1.000 1 A 56.874 1 ATOM 39 C CD . ARG 6 6 ? A 3.850 -10.740 -21.943 1.000 1 A 56.874 1 ATOM 40 N NE . ARG 6 6 ? A 4.051 -9.670 -22.917 1.000 1 A 56.874 1 ATOM 41 C CZ . ARG 6 6 ? A 3.607 -9.693 -24.170 1.000 1 A 56.874 1 ATOM 42 N NH1 . ARG 6 6 ? A 2.925 -10.736 -24.629 1.000 1 A 56.874 1 ATOM 43 N NH2 . ARG 6 6 ? A 3.847 -8.665 -24.972 1.000 1 A 56.874 1 ATOM 44 N N . THR 7 7 ? A 5.969 -12.694 -16.431 1.000 1 A 64.499 1 ATOM 45 C CA . THR 7 7 ? A 5.495 -13.661 -15.448 1.000 1 A 64.499 1 ATOM 46 C C . THR 7 7 ? A 4.503 -13.014 -14.487 1.000 1 A 64.499 1 ATOM 47 O O . THR 7 7 ? A 4.754 -11.925 -13.967 1.000 1 A 64.499 1 ATOM 48 C CB . THR 7 7 ? A 6.666 -14.266 -14.650 1.000 1 A 64.499 1 ATOM 49 O OG1 . THR 7 7 ? A 7.897 -13.970 -15.321 1.000 1 A 64.499 1 ATOM 50 C CG2 . THR 7 7 ? A 6.521 -15.779 -14.523 1.000 1 A 64.499 1 ATOM 51 N N . GLY 8 8 ? A 3.192 -13.216 -14.715 1.000 1 A 76.883 1 ATOM 52 C CA . GLY 8 8 ? A 2.141 -12.811 -13.794 1.000 1 A 76.883 1 ATOM 53 C C . GLY 8 8 ? A 2.232 -13.499 -12.445 1.000 1 A 76.883 1 ATOM 54 O O . GLY 8 8 ? A 2.339 -14.725 -12.374 1.000 1 A 76.883 1 ATOM 55 N N . TYR 9 9 ? A 2.794 -12.791 -11.509 1.000 1 A 88.358 1 ATOM 56 C CA . TYR 9 9 ? A 2.842 -13.271 -10.133 1.000 1 A 88.358 1 ATOM 57 C C . TYR 9 9 ? A 1.471 -13.179 -9.474 1.000 1 A 88.358 1 ATOM 58 O O . TYR 9 9 ? A 0.626 -12.385 -9.895 1.000 1 A 88.358 1 ATOM 59 C CB . TYR 9 9 ? A 3.866 -12.474 -9.320 1.000 1 A 88.358 1 ATOM 60 C CG . TYR 9 9 ? A 5.271 -12.556 -9.865 1.000 1 A 88.358 1 ATOM 61 C CD1 . TYR 9 9 ? A 5.842 -13.784 -10.193 1.000 1 A 88.358 1 ATOM 62 C CD2 . TYR 9 9 ? A 6.031 -11.406 -10.054 1.000 1 A 88.358 1 ATOM 63 C CE1 . TYR 9 9 ? A 7.137 -13.864 -10.694 1.000 1 A 88.358 1 ATOM 64 C CE2 . TYR 9 9 ? A 7.327 -11.475 -10.555 1.000 1 A 88.358 1 ATOM 65 C CZ . TYR 9 9 ? A 7.870 -12.706 -10.872 1.000 1 A 88.358 1 ATOM 66 O OH . TYR 9 9 ? A 9.152 -12.780 -11.368 1.000 1 A 88.358 1 ATOM 67 N N . ASP 10 10 ? A 1.309 -14.110 -8.579 1.000 1 A 91.883 1 ATOM 68 C CA . ASP 10 10 ? A 0.075 -14.110 -7.800 1.000 1 A 91.883 1 ATOM 69 C C . ASP 10 10 ? A 0.034 -12.928 -6.834 1.000 1 A 91.883 1 ATOM 70 O O . ASP 10 10 ? A 0.737 -12.922 -5.822 1.000 1 A 91.883 1 ATOM 71 C CB . ASP 10 10 ? A -0.073 -15.424 -7.029 1.000 1 A 91.883 1 ATOM 72 C CG . ASP 10 10 ? A -1.411 -15.549 -6.321 1.000 1 A 91.883 1 ATOM 73 O OD1 . ASP 10 10 ? A -2.298 -14.696 -6.539 1.000 1 A 91.883 1 ATOM 74 O OD2 . ASP 10 10 ? A -1.578 -16.508 -5.537 1.000 1 A 91.883 1 ATOM 75 N N . ASN 11 11 ? A -0.803 -11.879 -7.176 1.000 1 A 93.965 1 ATOM 76 C CA . ASN 11 11 ? A -0.908 -10.657 -6.385 1.000 1 A 93.965 1 ATOM 77 C C . ASN 11 11 ? A -1.438 -10.941 -4.982 1.000 1 A 93.965 1 ATOM 78 O O . ASN 11 11 ? A -1.116 -10.222 -4.035 1.000 1 A 93.965 1 ATOM 79 C CB . ASN 11 11 ? A -1.799 -9.634 -7.092 1.000 1 A 93.965 1 ATOM 80 C CG . ASN 11 11 ? A -1.158 -9.070 -8.345 1.000 1 A 93.965 1 ATOM 81 O OD1 . ASN 11 11 ? A 0.069 -9.001 -8.453 1.000 1 A 93.965 1 ATOM 82 N ND2 . ASN 11 11 ? A -1.984 -8.662 -9.301 1.000 1 A 93.965 1 ATOM 83 N N . ARG 12 12 ? A -2.212 -11.936 -4.872 1.000 1 A 95.554 1 ATOM 84 C CA . ARG 12 12 ? A -2.737 -12.319 -3.565 1.000 1 A 95.554 1 ATOM 85 C C . ARG 12 12 ? A -1.609 -12.692 -2.610 1.000 1 A 95.554 1 ATOM 86 O O . ARG 12 12 ? A -1.607 -12.276 -1.450 1.000 1 A 95.554 1 ATOM 87 C CB . ARG 12 12 ? A -3.718 -13.485 -3.701 1.000 1 A 95.554 1 ATOM 88 C CG . ARG 12 12 ? A -4.374 -13.893 -2.391 1.000 1 A 95.554 1 ATOM 89 C CD . ARG 12 12 ? A -5.427 -14.972 -2.600 1.000 1 A 95.554 1 ATOM 90 N NE . ARG 12 12 ? A -6.141 -15.276 -1.363 1.000 1 A 95.554 1 ATOM 91 C CZ . ARG 12 12 ? A -5.745 -16.169 -0.460 1.000 1 A 95.554 1 ATOM 92 N NH1 . ARG 12 12 ? A -4.628 -16.865 -0.639 1.000 1 A 95.554 1 ATOM 93 N NH2 . ARG 12 12 ? A -6.470 -16.366 0.631 1.000 1 A 95.554 1 ATOM 94 N N . GLU 13 13 ? A -0.736 -13.499 -3.163 1.000 1 A 94.664 1 ATOM 95 C CA . GLU 13 13 ? A 0.415 -13.908 -2.363 1.000 1 A 94.664 1 ATOM 96 C C . GLU 13 13 ? A 1.255 -12.703 -1.950 1.000 1 A 94.664 1 ATOM 97 O O . GLU 13 13 ? A 1.691 -12.608 -0.801 1.000 1 A 94.664 1 ATOM 98 C CB . GLU 13 13 ? A 1.277 -14.911 -3.132 1.000 1 A 94.664 1 ATOM 99 C CG . GLU 13 13 ? A 2.474 -15.425 -2.345 1.000 1 A 94.664 1 ATOM 100 C CD . GLU 13 13 ? A 3.323 -16.417 -3.124 1.000 1 A 94.664 1 ATOM 101 O OE1 . GLU 13 13 ? A 4.415 -16.793 -2.639 1.000 1 A 94.664 1 ATOM 102 O OE2 . GLU 13 13 ? A 2.894 -16.820 -4.228 1.000 1 A 94.664 1 ATOM 103 N N . ILE 14 14 ? A 1.479 -11.786 -2.787 1.000 1 A 96.050 1 ATOM 104 C CA . ILE 14 14 ? A 2.262 -10.583 -2.525 1.000 1 A 96.050 1 ATOM 105 C C . ILE 14 14 ? A 1.603 -9.771 -1.412 1.000 1 A 96.050 1 ATOM 106 O O . ILE 14 14 ? A 2.270 -9.349 -0.465 1.000 1 A 96.050 1 ATOM 107 C CB . ILE 14 14 ? A 2.418 -9.722 -3.798 1.000 1 A 96.050 1 ATOM 108 C CG1 . ILE 14 14 ? A 3.204 -10.488 -4.868 1.000 1 A 96.050 1 ATOM 109 C CG2 . ILE 14 14 ? A 3.097 -8.389 -3.468 1.000 1 A 96.050 1 ATOM 110 C CD1 . ILE 14 14 ? A 3.268 -9.780 -6.214 1.000 1 A 96.050 1 ATOM 111 N N . VAL 15 15 ? A 0.318 -9.579 -1.456 1.000 1 A 97.442 1 ATOM 112 C CA . VAL 15 15 ? A -0.438 -8.800 -0.481 1.000 1 A 97.442 1 ATOM 113 C C . VAL 15 15 ? A -0.388 -9.487 0.881 1.000 1 A 97.442 1 ATOM 114 O O . VAL 15 15 ? A -0.114 -8.845 1.898 1.000 1 A 97.442 1 ATOM 115 C CB . VAL 15 15 ? A -1.905 -8.604 -0.926 1.000 1 A 97.442 1 ATOM 116 C CG1 . VAL 15 15 ? A -2.745 -8.039 0.219 1.000 1 A 97.442 1 ATOM 117 C CG2 . VAL 15 15 ? A -1.975 -7.688 -2.146 1.000 1 A 97.442 1 ATOM 118 N N . MET 16 16 ? A -0.639 -10.773 0.870 1.000 1 A 96.203 1 ATOM 119 C CA . MET 16 16 ? A -0.687 -11.537 2.114 1.000 1 A 96.203 1 ATOM 120 C C . MET 16 16 ? A 0.654 -11.482 2.838 1.000 1 A 96.203 1 ATOM 121 O O . MET 16 16 ? A 0.703 -11.244 4.046 1.000 1 A 96.203 1 ATOM 122 C CB . MET 16 16 ? A -1.073 -12.991 1.839 1.000 1 A 96.203 1 ATOM 123 C CG . MET 16 16 ? A -2.523 -13.170 1.418 1.000 1 A 96.203 1 ATOM 124 S SD . MET 16 16 ? A -3.703 -12.577 2.691 1.000 1 A 96.203 1 ATOM 125 C CE . MET 16 16 ? A -3.534 -13.897 3.924 1.000 1 A 96.203 1 ATOM 126 N N . LYS 17 17 ? A 1.684 -11.694 2.099 1.000 1 A 95.913 1 ATOM 127 C CA . LYS 17 17 ? A 3.013 -11.680 2.702 1.000 1 A 95.913 1 ATOM 128 C C . LYS 17 17 ? A 3.370 -10.288 3.215 1.000 1 A 95.913 1 ATOM 129 O O . LYS 17 17 ? A 3.992 -10.150 4.270 1.000 1 A 95.913 1 ATOM 130 C CB . LYS 17 17 ? A 4.064 -12.153 1.697 1.000 1 A 95.913 1 ATOM 131 C CG . LYS 17 17 ? A 4.078 -13.659 1.478 1.000 1 A 95.913 1 ATOM 132 C CD . LYS 17 17 ? A 5.326 -14.103 0.727 1.000 1 A 95.913 1 ATOM 133 C CE . LYS 17 17 ? A 5.389 -15.619 0.592 1.000 1 A 95.913 1 ATOM 134 N NZ . LYS 17 17 ? A 6.580 -16.056 -0.197 1.000 1 A 95.913 1 ATOM 135 N N . TYR 18 18 ? A 2.996 -9.283 2.474 1.000 1 A 97.368 1 ATOM 136 C CA . TYR 18 18 ? A 3.279 -7.918 2.903 1.000 1 A 97.368 1 ATOM 137 C C . TYR 18 18 ? A 2.520 -7.579 4.181 1.000 1 A 97.368 1 ATOM 138 O O . TYR 18 18 ? A 3.085 -6.994 5.109 1.000 1 A 97.368 1 ATOM 139 C CB . TYR 18 18 ? A 2.914 -6.920 1.799 1.000 1 A 97.368 1 ATOM 140 C CG . TYR 18 18 ? A 3.392 -5.514 2.070 1.000 1 A 97.368 1 ATOM 141 C CD1 . TYR 18 18 ? A 2.525 -4.548 2.573 1.000 1 A 97.368 1 ATOM 142 C CD2 . TYR 18 18 ? A 4.711 -5.149 1.822 1.000 1 A 97.368 1 ATOM 143 C CE1 . TYR 18 18 ? A 2.960 -3.250 2.822 1.000 1 A 97.368 1 ATOM 144 C CE2 . TYR 18 18 ? A 5.157 -3.855 2.067 1.000 1 A 97.368 1 ATOM 145 C CZ . TYR 18 18 ? A 4.276 -2.914 2.567 1.000 1 A 97.368 1 ATOM 146 O OH . TYR 18 18 ? A 4.712 -1.631 2.811 1.000 1 A 97.368 1 ATOM 147 N N . ILE 19 19 ? A 1.236 -7.878 4.265 1.000 1 A 97.257 1 ATOM 148 C CA . ILE 19 19 ? A 0.413 -7.609 5.440 1.000 1 A 97.257 1 ATOM 149 C C . ILE 19 19 ? A 0.968 -8.368 6.643 1.000 1 A 97.257 1 ATOM 150 O O . ILE 19 19 ? A 1.052 -7.821 7.745 1.000 1 A 97.257 1 ATOM 151 C CB . ILE 19 19 ? A -1.063 -7.996 5.196 1.000 1 A 97.257 1 ATOM 152 C CG1 . ILE 19 19 ? A -1.713 -7.024 4.204 1.000 1 A 97.257 1 ATOM 153 C CG2 . ILE 19 19 ? A -1.837 -8.030 6.517 1.000 1 A 97.257 1 ATOM 154 C CD1 . ILE 19 19 ? A -3.136 -7.397 3.815 1.000 1 A 97.257 1 ATOM 155 N N . HIS 20 20 ? A 1.271 -9.610 6.371 1.000 1 A 96.402 1 ATOM 156 C CA . HIS 20 20 ? A 1.878 -10.388 7.445 1.000 1 A 96.402 1 ATOM 157 C C . HIS 20 20 ? A 3.125 -9.699 7.988 1.000 1 A 96.402 1 ATOM 158 O O . HIS 20 20 ? A 3.312 -9.613 9.204 1.000 1 A 96.402 1 ATOM 159 C CB . HIS 20 20 ? A 2.226 -11.795 6.956 1.000 1 A 96.402 1 ATOM 160 C CG . HIS 20 20 ? A 2.706 -12.706 8.041 1.000 1 A 96.402 1 ATOM 161 N ND1 . HIS 20 20 ? A 4.042 -12.887 8.324 1.000 1 A 96.402 1 ATOM 162 C CD2 . HIS 20 20 ? A 2.024 -13.485 8.914 1.000 1 A 96.402 1 ATOM 163 C CE1 . HIS 20 20 ? A 4.162 -13.741 9.326 1.000 1 A 96.402 1 ATOM 164 N NE2 . HIS 20 20 ? A 2.952 -14.119 9.703 1.000 1 A 96.402 1 ATOM 165 N N . TYR 21 21 ? A 3.928 -9.272 7.103 1.000 1 A 96.460 1 ATOM 166 C CA . TYR 21 21 ? A 5.146 -8.563 7.479 1.000 1 A 96.460 1 ATOM 167 C C . TYR 21 21 ? A 4.824 -7.326 8.308 1.000 1 A 96.460 1 ATOM 168 O O . TYR 21 21 ? A 5.417 -7.109 9.367 1.000 1 A 96.460 1 ATOM 169 C CB . TYR 21 21 ? A 5.942 -8.163 6.232 1.000 1 A 96.460 1 ATOM 170 C CG . TYR 21 21 ? A 6.999 -7.119 6.496 1.000 1 A 96.460 1 ATOM 171 C CD1 . TYR 21 21 ? A 6.830 -5.805 6.065 1.000 1 A 96.460 1 ATOM 172 C CD2 . TYR 21 21 ? A 8.168 -7.443 7.176 1.000 1 A 96.460 1 ATOM 173 C CE1 . TYR 21 21 ? A 7.802 -4.839 6.305 1.000 1 A 96.460 1 ATOM 174 C CE2 . TYR 21 21 ? A 9.147 -6.485 7.420 1.000 1 A 96.460 1 ATOM 175 C CZ . TYR 21 21 ? A 8.955 -5.188 6.982 1.000 1 A 96.460 1 ATOM 176 O OH . TYR 21 21 ? A 9.920 -4.236 7.222 1.000 1 A 96.460 1 ATOM 177 N N . LYS 22 22 ? A 3.914 -6.528 7.888 1.000 1 A 96.652 1 ATOM 178 C CA . LYS 22 22 ? A 3.555 -5.294 8.581 1.000 1 A 96.652 1 ATOM 179 C C . LYS 22 22 ? A 2.993 -5.587 9.970 1.000 1 A 96.652 1 ATOM 180 O O . LYS 22 22 ? A 3.324 -4.897 10.937 1.000 1 A 96.652 1 ATOM 181 C CB . LYS 22 22 ? A 2.540 -4.495 7.763 1.000 1 A 96.652 1 ATOM 182 C CG . LYS 22 22 ? A 3.132 -3.810 6.540 1.000 1 A 96.652 1 ATOM 183 C CD . LYS 22 22 ? A 4.127 -2.726 6.934 1.000 1 A 96.652 1 ATOM 184 C CE . LYS 22 22 ? A 4.628 -1.957 5.719 1.000 1 A 96.652 1 ATOM 185 N NZ . LYS 22 22 ? A 5.619 -0.906 6.098 1.000 1 A 96.652 1 ATOM 186 N N . LEU 23 23 ? A 2.210 -6.554 10.084 1.000 1 A 96.635 1 ATOM 187 C CA . LEU 23 23 ? A 1.641 -6.926 11.374 1.000 1 A 96.635 1 ATOM 188 C C . LEU 23 23 ? A 2.714 -7.492 12.299 1.000 1 A 96.635 1 ATOM 189 O O . LEU 23 23 ? A 2.735 -7.184 13.493 1.000 1 A 96.635 1 ATOM 190 C CB . LEU 23 23 ? A 0.518 -7.951 11.189 1.000 1 A 96.635 1 ATOM 191 C CG . LEU 23 23 ? A -0.785 -7.427 10.583 1.000 1 A 96.635 1 ATOM 192 C CD1 . LEU 23 23 ? A -1.724 -8.585 10.264 1.000 1 A 96.635 1 ATOM 193 C CD2 . LEU 23 23 ? A -1.453 -6.434 11.528 1.000 1 A 96.635 1 ATOM 194 N N . SER 24 24 ? A 3.616 -8.273 11.740 1.000 1 A 96.349 1 ATOM 195 C CA . SER 24 24 ? A 4.685 -8.869 12.534 1.000 1 A 96.349 1 ATOM 196 C C . SER 24 24 ? A 5.638 -7.804 13.068 1.000 1 A 96.349 1 ATOM 197 O O . SER 24 24 ? A 6.225 -7.970 14.139 1.000 1 A 96.349 1 ATOM 198 C CB . SER 24 24 ? A 5.464 -9.891 11.704 1.000 1 A 96.349 1 ATOM 199 O OG . SER 24 24 ? A 6.248 -9.244 10.717 1.000 1 A 96.349 1 ATOM 200 N N . GLN 25 25 ? A 5.818 -6.822 12.299 1.000 1 A 94.377 1 ATOM 201 C CA . GLN 25 25 ? A 6.670 -5.718 12.728 1.000 1 A 94.377 1 ATOM 202 C C . GLN 25 25 ? A 6.145 -5.087 14.015 1.000 1 A 94.377 1 ATOM 203 O O . GLN 25 25 ? A 6.919 -4.545 14.807 1.000 1 A 94.377 1 ATOM 204 C CB . GLN 25 25 ? A 6.773 -4.660 11.629 1.000 1 A 94.377 1 ATOM 205 C CG . GLN 25 25 ? A 7.716 -5.041 10.495 1.000 1 A 94.377 1 ATOM 206 C CD . GLN 25 25 ? A 7.932 -3.911 9.506 1.000 1 A 94.377 1 ATOM 207 O OE1 . GLN 25 25 ? A 7.182 -2.929 9.492 1.000 1 A 94.377 1 ATOM 208 N NE2 . GLN 25 25 ? A 8.957 -4.042 8.671 1.000 1 A 94.377 1 ATOM 209 N N . ARG 26 26 ? A 4.877 -5.231 14.214 1.000 1 A 94.328 1 ATOM 210 C CA . ARG 26 26 ? A 4.253 -4.631 15.389 1.000 1 A 94.328 1 ATOM 211 C C . ARG 26 26 ? A 4.032 -5.670 16.483 1.000 1 A 94.328 1 ATOM 212 O O . ARG 26 26 ? A 3.448 -5.367 17.525 1.000 1 A 94.328 1 ATOM 213 C CB . ARG 26 26 ? A 2.924 -3.972 15.015 1.000 1 A 94.328 1 ATOM 214 C CG . ARG 26 26 ? A 3.062 -2.818 14.035 1.000 1 A 94.328 1 ATOM 215 C CD . ARG 26 26 ? A 3.689 -1.595 14.689 1.000 1 A 94.328 1 ATOM 216 N NE . ARG 26 26 ? A 3.629 -0.426 13.815 1.000 1 A 94.328 1 ATOM 217 C CZ . ARG 26 26 ? A 3.903 0.819 14.194 1.000 1 A 94.328 1 ATOM 218 N NH1 . ARG 26 26 ? A 4.262 1.083 15.446 1.000 1 A 94.328 1 ATOM 219 N NH2 . ARG 26 26 ? A 3.817 1.808 13.317 1.000 1 A 94.328 1 ATOM 220 N N . GLY 27 27 ? A 4.427 -6.844 16.207 1.000 1 A 95.048 1 ATOM 221 C CA . GLY 27 27 ? A 4.345 -7.899 17.205 1.000 1 A 95.048 1 ATOM 222 C C . GLY 27 27 ? A 3.041 -8.673 17.149 1.000 1 A 95.048 1 ATOM 223 O O . GLY 27 27 ? A 2.678 -9.357 18.108 1.000 1 A 95.048 1 ATOM 224 N N . TYR 28 28 ? A 2.358 -8.408 16.027 1.000 1 A 94.615 1 ATOM 225 C CA . TYR 28 28 ? A 1.107 -9.140 15.865 1.000 1 A 94.615 1 ATOM 226 C C . TYR 28 28 ? A 1.316 -10.397 15.029 1.000 1 A 94.615 1 ATOM 227 O O . TYR 28 28 ? A 2.110 -10.398 14.085 1.000 1 A 94.615 1 ATOM 228 C CB . TYR 28 28 ? A 0.043 -8.251 15.215 1.000 1 A 94.615 1 ATOM 229 C CG . TYR 28 28 ? A -0.324 -7.042 16.040 1.000 1 A 94.615 1 ATOM 230 C CD1 . TYR 28 28 ? A -0.844 -7.183 17.325 1.000 1 A 94.615 1 ATOM 231 C CD2 . TYR 28 28 ? A -0.153 -5.757 15.537 1.000 1 A 94.615 1 ATOM 232 C CE1 . TYR 28 28 ? A -1.186 -6.071 18.088 1.000 1 A 94.615 1 ATOM 233 C CE2 . TYR 28 28 ? A -0.491 -4.638 16.291 1.000 1 A 94.615 1 ATOM 234 C CZ . TYR 28 28 ? A -1.006 -4.805 17.564 1.000 1 A 94.615 1 ATOM 235 O OH . TYR 28 28 ? A -1.342 -3.701 18.315 1.000 1 A 94.615 1 ATOM 236 N N . GLU 29 29 ? A 0.722 -11.440 15.421 1.000 1 A 92.166 1 ATOM 237 C CA . GLU 29 29 ? A 0.715 -12.661 14.622 1.000 1 A 92.166 1 ATOM 238 C C . GLU 29 29 ? A -0.608 -12.828 13.880 1.000 1 A 92.166 1 ATOM 239 O O . GLU 29 29 ? A -1.678 -12.784 14.491 1.000 1 A 92.166 1 ATOM 240 C CB . GLU 29 29 ? A 0.980 -13.884 15.505 1.000 1 A 92.166 1 ATOM 241 C CG . GLU 29 29 ? A 1.159 -15.178 14.726 1.000 1 A 92.166 1 ATOM 242 C CD . GLU 29 29 ? A 1.421 -16.383 15.616 1.000 1 A 92.166 1 ATOM 243 O OE1 . GLU 29 29 ? A 1.425 -17.526 15.104 1.000 1 A 92.166 1 ATOM 244 O OE2 . GLU 29 29 ? A 1.622 -16.183 16.834 1.000 1 A 92.166 1 ATOM 245 N N . TRP 30 30 ? A -0.572 -12.849 12.606 1.000 1 A 90.445 1 ATOM 246 C CA . TRP 30 30 ? A -1.744 -12.977 11.745 1.000 1 A 90.445 1 ATOM 247 C C . TRP 30 30 ? A -1.704 -14.285 10.963 1.000 1 A 90.445 1 ATOM 248 O O . TRP 30 30 ? A -0.714 -14.584 10.290 1.000 1 A 90.445 1 ATOM 249 C CB . TRP 30 30 ? A -1.834 -11.792 10.779 1.000 1 A 90.445 1 ATOM 250 C CG . TRP 30 30 ? A -3.002 -11.858 9.842 1.000 1 A 90.445 1 ATOM 251 C CD1 . TRP 30 30 ? A -4.316 -12.041 10.175 1.000 1 A 90.445 1 ATOM 252 C CD2 . TRP 30 30 ? A -2.961 -11.744 8.416 1.000 1 A 90.445 1 ATOM 253 N NE1 . TRP 30 30 ? A -5.094 -12.048 9.041 1.000 1 A 90.445 1 ATOM 254 C CE2 . TRP 30 30 ? A -4.289 -11.868 7.949 1.000 1 A 90.445 1 ATOM 255 C CE3 . TRP 30 30 ? A -1.930 -11.549 7.488 1.000 1 A 90.445 1 ATOM 256 C CZ2 . TRP 30 30 ? A -4.611 -11.803 6.591 1.000 1 A 90.445 1 ATOM 257 C CZ3 . TRP 30 30 ? A -2.254 -11.484 6.137 1.000 1 A 90.445 1 ATOM 258 C CH2 . TRP 30 30 ? A -3.584 -11.611 5.704 1.000 1 A 90.445 1 ATOM 259 N N . ASP 31 31 ? A -2.759 -15.099 11.160 1.000 1 A 83.843 1 ATOM 260 C CA . ASP 31 31 ? A -2.893 -16.342 10.406 1.000 1 A 83.843 1 ATOM 261 C C . ASP 31 31 ? A -3.766 -16.143 9.169 1.000 1 A 83.843 1 ATOM 262 O O . ASP 31 31 ? A -4.952 -15.825 9.285 1.000 1 A 83.843 1 ATOM 263 C CB . ASP 31 31 ? A -3.476 -17.446 11.290 1.000 1 A 83.843 1 ATOM 264 C CG . ASP 31 31 ? A -3.241 -18.839 10.732 1.000 1 A 83.843 1 ATOM 265 O OD1 . ASP 31 31 ? A -2.614 -18.968 9.659 1.000 1 A 83.843 1 ATOM 266 O OD2 . ASP 31 31 ? A -3.691 -19.815 11.370 1.000 1 A 83.843 1 ATOM 267 N N . ALA 32 32 ? A -3.152 -15.868 8.084 1.000 1 A 69.265 1 ATOM 268 C CA . ALA 32 32 ? A -3.880 -15.680 6.832 1.000 1 A 69.265 1 ATOM 269 C C . ALA 32 32 ? A -4.950 -16.752 6.653 1.000 1 A 69.265 1 ATOM 270 O O . ALA 32 32 ? A -4.650 -17.948 6.678 1.000 1 A 69.265 1 ATOM 271 C CB . ALA 32 32 ? A -2.915 -15.692 5.648 1.000 1 A 69.265 1 ATOM 272 N N . GLY 33 33 ? A -5.863 -16.877 7.629 1.000 1 A 63.514 1 ATOM 273 C CA . GLY 33 33 ? A -7.002 -17.778 7.545 1.000 1 A 63.514 1 ATOM 274 C C . GLY 33 33 ? A -7.335 -18.186 6.122 1.000 1 A 63.514 1 ATOM 275 O O . GLY 33 33 ? A -7.157 -17.402 5.188 1.000 1 A 63.514 1 ATOM 276 N N . ASP 34 34 ? A -6.862 -19.332 5.643 1.000 1 A 49.431 1 ATOM 277 C CA . ASP 34 34 ? A -7.309 -20.092 4.480 1.000 1 A 49.431 1 ATOM 278 C C . ASP 34 34 ? A -8.589 -19.499 3.895 1.000 1 A 49.431 1 ATOM 279 O O . ASP 34 34 ? A -9.675 -19.689 4.446 1.000 1 A 49.431 1 ATOM 280 C CB . ASP 34 34 ? A -7.530 -21.560 4.850 1.000 1 A 49.431 1 ATOM 281 C CG . ASP 34 34 ? A -7.317 -22.505 3.681 1.000 1 A 49.431 1 ATOM 282 O OD1 . ASP 34 34 ? A -6.891 -22.049 2.598 1.000 1 A 49.431 1 ATOM 283 O OD2 . ASP 34 34 ? A -7.581 -23.716 3.843 1.000 1 A 49.431 1 ATOM 284 N N . VAL 35 35 ? A -8.704 -18.154 3.708 1.000 1 A 51.883 1 ATOM 285 C CA . VAL 35 35 ? A -9.782 -17.497 2.975 1.000 1 A 51.883 1 ATOM 286 C C . VAL 35 35 ? A -10.219 -18.374 1.804 1.000 1 A 51.883 1 ATOM 287 O O . VAL 35 35 ? A -11.357 -18.276 1.338 1.000 1 A 51.883 1 ATOM 288 C CB . VAL 35 35 ? A -9.355 -16.102 2.467 1.000 1 A 51.883 1 ATOM 289 C CG1 . VAL 35 35 ? A -10.524 -15.397 1.781 1.000 1 A 51.883 1 ATOM 290 C CG2 . VAL 35 35 ? A -8.818 -15.256 3.620 1.000 1 A 51.883 1 ATOM 291 N N . GLY 36 36 ? A -9.754 -19.677 1.680 1.000 1 A 47.313 1 ATOM 292 C CA . GLY 36 36 ? A -10.290 -20.485 0.596 1.000 1 A 47.313 1 ATOM 293 C C . GLY 36 36 ? A -10.679 -21.885 1.031 1.000 1 A 47.313 1 ATOM 294 O O . GLY 36 36 ? A -11.411 -22.580 0.323 1.000 1 A 47.313 1 ATOM 295 N N . ALA 37 37 ? A -10.747 -22.292 2.329 1.000 1 A 39.397 1 ATOM 296 C CA . ALA 37 37 ? A -11.151 -23.682 2.522 1.000 1 A 39.397 1 ATOM 297 C C . ALA 37 37 ? A -12.124 -23.813 3.691 1.000 1 A 39.397 1 ATOM 298 O O . ALA 37 37 ? A -11.977 -24.704 4.531 1.000 1 A 39.397 1 ATOM 299 C CB . ALA 37 37 ? A -9.927 -24.565 2.750 1.000 1 A 39.397 1 ATOM 300 N N . ALA 38 38 ? A -13.010 -22.870 3.967 1.000 1 A 36.371 1 ATOM 301 C CA . ALA 38 38 ? A -14.013 -23.359 4.909 1.000 1 A 36.371 1 ATOM 302 C C . ALA 38 38 ? A -15.290 -23.775 4.184 1.000 1 A 36.371 1 ATOM 303 O O . ALA 38 38 ? A -15.714 -23.116 3.232 1.000 1 A 36.371 1 ATOM 304 C CB . ALA 38 38 ? A -14.324 -22.293 5.957 1.000 1 A 36.371 1 ATOM 305 N N . PRO 39 39 ? A -15.679 -25.141 4.160 1.000 1 A 37.009 1 ATOM 306 C CA . PRO 39 39 ? A -17.000 -25.590 3.716 1.000 1 A 37.009 1 ATOM 307 C C . PRO 39 39 ? A -18.135 -24.751 4.299 1.000 1 A 37.009 1 ATOM 308 O O . PRO 39 39 ? A -18.016 -24.235 5.413 1.000 1 A 37.009 1 ATOM 309 C CB . PRO 39 39 ? A -17.071 -27.033 4.222 1.000 1 A 37.009 1 ATOM 310 C CG . PRO 39 39 ? A -15.878 -27.185 5.110 1.000 1 A 37.009 1 ATOM 311 C CD . PRO 39 39 ? A -15.146 -25.875 5.154 1.000 1 A 37.009 1 ATOM 312 N N . PRO 40 40 ? A -19.025 -24.099 3.300 1.000 1 A 40.071 1 ATOM 313 C CA . PRO 40 40 ? A -20.168 -23.237 3.608 1.000 1 A 40.071 1 ATOM 314 C C . PRO 40 40 ? A -20.954 -23.713 4.828 1.000 1 A 40.071 1 ATOM 315 O O . PRO 40 40 ? A -21.291 -24.895 4.927 1.000 1 A 40.071 1 ATOM 316 C CB . PRO 40 40 ? A -21.023 -23.319 2.341 1.000 1 A 40.071 1 ATOM 317 C CG . PRO 40 40 ? A -20.360 -24.360 1.499 1.000 1 A 40.071 1 ATOM 318 C CD . PRO 40 40 ? A -19.223 -24.954 2.281 1.000 1 A 40.071 1 ATOM 319 N N . GLY 41 41 ? A -20.416 -23.696 5.973 1.000 1 A 39.226 1 ATOM 320 C CA . GLY 41 41 ? A -21.335 -23.846 7.090 1.000 1 A 39.226 1 ATOM 321 C C . GLY 41 41 ? A -20.637 -23.890 8.436 1.000 1 A 39.226 1 ATOM 322 O O . GLY 41 41 ? A -21.290 -23.975 9.478 1.000 1 A 39.226 1 ATOM 323 N N . ALA 42 42 ? A -19.446 -23.219 8.598 1.000 1 A 32.942 1 ATOM 324 C CA . ALA 42 42 ? A -18.970 -23.152 9.977 1.000 1 A 32.942 1 ATOM 325 C C . ALA 42 42 ? A -18.572 -21.727 10.351 1.000 1 A 32.942 1 ATOM 326 O O . ALA 42 42 ? A -17.967 -21.013 9.548 1.000 1 A 32.942 1 ATOM 327 C CB . ALA 42 42 ? A -17.790 -24.100 10.180 1.000 1 A 32.942 1 ATOM 328 N N . ALA 43 43 ? A -19.420 -20.876 10.836 1.000 1 A 34.965 1 ATOM 329 C CA . ALA 43 43 ? A -19.265 -19.636 11.592 1.000 1 A 34.965 1 ATOM 330 C C . ALA 43 43 ? A -17.792 -19.270 11.748 1.000 1 A 34.965 1 ATOM 331 O O . ALA 43 43 ? A -16.950 -20.141 11.979 1.000 1 A 34.965 1 ATOM 332 C CB . ALA 43 43 ? A -19.926 -19.762 12.962 1.000 1 A 34.965 1 ATOM 333 N N . PRO 44 44 ? A -17.319 -18.145 11.103 1.000 1 A 38.413 1 ATOM 334 C CA . PRO 44 44 ? A -15.949 -17.631 11.168 1.000 1 A 38.413 1 ATOM 335 C C . PRO 44 44 ? A -15.411 -17.567 12.596 1.000 1 A 38.413 1 ATOM 336 O O . PRO 44 44 ? A -16.120 -17.135 13.508 1.000 1 A 38.413 1 ATOM 337 C CB . PRO 44 44 ? A -16.069 -16.229 10.566 1.000 1 A 38.413 1 ATOM 338 C CG . PRO 44 44 ? A -17.532 -16.038 10.330 1.000 1 A 38.413 1 ATOM 339 C CD . PRO 44 44 ? A -18.255 -17.268 10.800 1.000 1 A 38.413 1 ATOM 340 N N . ALA 45 45 ? A -14.876 -18.602 13.165 1.000 1 A 38.109 1 ATOM 341 C CA . ALA 45 45 ? A -14.109 -18.561 14.407 1.000 1 A 38.109 1 ATOM 342 C C . ALA 45 45 ? A -13.317 -17.261 14.521 1.000 1 A 38.109 1 ATOM 343 O O . ALA 45 45 ? A -12.732 -16.797 13.540 1.000 1 A 38.109 1 ATOM 344 C CB . ALA 45 45 ? A -13.170 -19.762 14.493 1.000 1 A 38.109 1 ATOM 345 N N . PRO 46 46 ? A -13.652 -16.353 15.401 1.000 1 A 42.721 1 ATOM 346 C CA . PRO 46 46 ? A -13.016 -15.071 15.716 1.000 1 A 42.721 1 ATOM 347 C C . PRO 46 46 ? A -11.503 -15.190 15.886 1.000 1 A 42.721 1 ATOM 348 O O . PRO 46 46 ? A -11.020 -16.146 16.496 1.000 1 A 42.721 1 ATOM 349 C CB . PRO 46 46 ? A -13.682 -14.660 17.031 1.000 1 A 42.721 1 ATOM 350 C CG . PRO 46 46 ? A -14.574 -15.807 17.382 1.000 1 A 42.721 1 ATOM 351 C CD . PRO 46 46 ? A -14.294 -16.937 16.433 1.000 1 A 42.721 1 ATOM 352 N N . GLY 47 47 ? A -10.644 -15.039 14.835 1.000 1 A 45.076 1 ATOM 353 C CA . GLY 47 47 ? A -9.280 -14.590 14.608 1.000 1 A 45.076 1 ATOM 354 C C . GLY 47 47 ? A -8.476 -14.455 15.887 1.000 1 A 45.076 1 ATOM 355 O O . GLY 47 47 ? A -8.992 -13.990 16.905 1.000 1 A 45.076 1 ATOM 356 N N . ILE 48 48 ? A -7.923 -15.550 16.425 1.000 1 A 38.212 1 ATOM 357 C CA . ILE 48 48 ? A -6.939 -15.894 17.446 1.000 1 A 38.212 1 ATOM 358 C C . ILE 48 48 ? A -5.821 -14.854 17.456 1.000 1 A 38.212 1 ATOM 359 O O . ILE 48 48 ? A -5.130 -14.666 16.452 1.000 1 A 38.212 1 ATOM 360 C CB . ILE 48 48 ? A -6.355 -17.306 17.215 1.000 1 A 38.212 1 ATOM 361 C CG1 . ILE 48 48 ? A -7.483 -18.337 17.095 1.000 1 A 38.212 1 ATOM 362 C CG2 . ILE 48 48 ? A -5.388 -17.681 18.342 1.000 1 A 38.212 1 ATOM 363 C CD1 . ILE 48 48 ? A -7.011 -19.725 16.682 1.000 1 A 38.212 1 ATOM 364 N N . PHE 49 49 ? A -5.978 -13.514 17.677 1.000 1 A 42.721 1 ATOM 365 C CA . PHE 49 49 ? A -4.883 -12.628 18.052 1.000 1 A 42.721 1 ATOM 366 C C . PHE 49 49 ? A -4.548 -12.777 19.531 1.000 1 A 42.721 1 ATOM 367 O O . PHE 49 49 ? A -5.438 -12.738 20.382 1.000 1 A 42.721 1 ATOM 368 C CB . PHE 49 49 ? A -5.238 -11.171 17.739 1.000 1 A 42.721 1 ATOM 369 C CG . PHE 49 49 ? A -5.280 -10.859 16.267 1.000 1 A 42.721 1 ATOM 370 C CD1 . PHE 49 49 ? A -4.106 -10.679 15.547 1.000 1 A 42.721 1 ATOM 371 C CD2 . PHE 49 49 ? A -6.495 -10.747 15.603 1.000 1 A 42.721 1 ATOM 372 C CE1 . PHE 49 49 ? A -4.142 -10.390 14.184 1.000 1 A 42.721 1 ATOM 373 C CE2 . PHE 49 49 ? A -6.539 -10.459 14.242 1.000 1 A 42.721 1 ATOM 374 C CZ . PHE 49 49 ? A -5.361 -10.280 13.535 1.000 1 A 42.721 1 ATOM 375 N N . SER 50 50 ? A -3.740 -13.822 19.968 1.000 1 A 38.767 1 ATOM 376 C CA . SER 50 50 ? A -3.183 -13.977 21.308 1.000 1 A 38.767 1 ATOM 377 C C . SER 50 50 ? A -2.162 -12.885 21.611 1.000 1 A 38.767 1 ATOM 378 O O . SER 50 50 ? A -1.216 -12.683 20.848 1.000 1 A 38.767 1 ATOM 379 C CB . SER 50 50 ? A -2.531 -15.352 21.462 1.000 1 A 38.767 1 ATOM 380 O OG . SER 50 50 ? A -2.146 -15.578 22.807 1.000 1 A 38.767 1 ATOM 381 N N . SER 51 51 ? A -2.500 -11.645 21.953 1.000 1 A 37.737 1 ATOM 382 C CA . SER 51 51 ? A -1.589 -10.819 22.738 1.000 1 A 37.737 1 ATOM 383 C C . SER 51 51 ? A -1.432 -11.362 24.154 1.000 1 A 37.737 1 ATOM 384 O O . SER 51 51 ? A -2.412 -11.767 24.782 1.000 1 A 37.737 1 ATOM 385 C CB . SER 51 51 ? A -2.085 -9.374 22.790 1.000 1 A 37.737 1 ATOM 386 O OG . SER 51 51 ? A -3.490 -9.330 22.972 1.000 1 A 37.737 1 ATOM 387 N N . GLN 52 52 ? A -0.390 -12.262 24.566 1.000 1 A 30.230 1 ATOM 388 C CA . GLN 52 52 ? A 0.208 -12.025 25.876 1.000 1 A 30.230 1 ATOM 389 C C . GLN 52 52 ? A 1.205 -13.123 26.233 1.000 1 A 30.230 1 ATOM 390 O O . GLN 52 52 ? A 0.903 -14.311 26.097 1.000 1 A 30.230 1 ATOM 391 C CB . GLN 52 52 ? A -0.875 -11.929 26.952 1.000 1 A 30.230 1 ATOM 392 C CG . GLN 52 52 ? A -1.227 -10.500 27.345 1.000 1 A 30.230 1 ATOM 393 C CD . GLN 52 52 ? A -1.076 -10.247 28.833 1.000 1 A 30.230 1 ATOM 394 O OE1 . GLN 52 52 ? A -1.115 -11.179 29.642 1.000 1 A 30.230 1 ATOM 395 N NE2 . GLN 52 52 ? A -0.903 -8.983 29.205 1.000 1 A 30.230 1 ATOM 396 N N . PRO 53 53 ? A 2.629 -12.828 26.433 1.000 1 A 37.575 1 ATOM 397 C CA . PRO 53 53 ? A 3.426 -13.739 27.258 1.000 1 A 37.575 1 ATOM 398 C C . PRO 53 53 ? A 3.244 -13.493 28.754 1.000 1 A 37.575 1 ATOM 399 O O . PRO 53 53 ? A 3.334 -12.350 29.210 1.000 1 A 37.575 1 ATOM 400 C CB . PRO 53 53 ? A 4.863 -13.439 26.825 1.000 1 A 37.575 1 ATOM 401 C CG . PRO 53 53 ? A 4.763 -12.196 26.002 1.000 1 A 37.575 1 ATOM 402 C CD . PRO 53 53 ? A 3.363 -11.663 26.111 1.000 1 A 37.575 1 ATOM 403 N N . GLY 54 54 ? A 2.245 -14.030 29.440 1.000 1 A 30.134 1 ATOM 404 C CA . GLY 54 54 ? A 2.256 -14.256 30.877 1.000 1 A 30.134 1 ATOM 405 C C . GLY 54 54 ? A 1.738 -15.627 31.270 1.000 1 A 30.134 1 ATOM 406 O O . GLY 54 54 ? A 0.721 -16.086 30.746 1.000 1 A 30.134 1 ATOM 407 N N . HIS 55 55 ? A 2.609 -16.710 31.356 1.000 1 A 28.668 1 ATOM 408 C CA . HIS 55 55 ? A 2.990 -17.698 32.360 1.000 1 A 28.668 1 ATOM 409 C C . HIS 55 55 ? A 1.763 -18.278 33.055 1.000 1 A 28.668 1 ATOM 410 O O . HIS 55 55 ? A 0.913 -17.532 33.548 1.000 1 A 28.668 1 ATOM 411 C CB . HIS 55 55 ? A 3.934 -17.077 33.391 1.000 1 A 28.668 1 ATOM 412 C CG . HIS 55 55 ? A 5.382 -17.319 33.102 1.000 1 A 28.668 1 ATOM 413 N ND1 . HIS 55 55 ? A 5.874 -18.558 32.754 1.000 1 A 28.668 1 ATOM 414 C CD2 . HIS 55 55 ? A 6.442 -16.477 33.106 1.000 1 A 28.668 1 ATOM 415 C CE1 . HIS 55 55 ? A 7.179 -18.468 32.557 1.000 1 A 28.668 1 ATOM 416 N NE2 . HIS 55 55 ? A 7.548 -17.215 32.765 1.000 1 A 28.668 1 ATOM 417 N N . THR 56 56 ? A 1.386 -19.547 32.821 1.000 1 A 33.719 1 ATOM 418 C CA . THR 56 56 ? A 1.430 -20.822 33.530 1.000 1 A 33.719 1 ATOM 419 C C . THR 56 56 ? A 0.552 -21.858 32.833 1.000 1 A 33.719 1 ATOM 420 O O . THR 56 56 ? A -0.570 -21.554 32.422 1.000 1 A 33.719 1 ATOM 421 C CB . THR 56 56 ? A 0.978 -20.663 34.993 1.000 1 A 33.719 1 ATOM 422 O OG1 . THR 56 56 ? A 0.036 -19.587 35.083 1.000 1 A 33.719 1 ATOM 423 C CG2 . THR 56 56 ? A 2.163 -20.362 35.905 1.000 1 A 33.719 1 ATOM 424 N N . PRO 57 57 ? A 0.932 -23.158 32.843 1.000 1 A 41.685 1 ATOM 425 C CA . PRO 57 57 ? A 0.552 -24.422 32.208 1.000 1 A 41.685 1 ATOM 426 C C . PRO 57 57 ? A -0.487 -25.198 33.014 1.000 1 A 41.685 1 ATOM 427 O O . PRO 57 57 ? A -0.524 -25.095 34.242 1.000 1 A 41.685 1 ATOM 428 C CB . PRO 57 57 ? A 1.873 -25.192 32.136 1.000 1 A 41.685 1 ATOM 429 C CG . PRO 57 57 ? A 2.634 -24.761 33.348 1.000 1 A 41.685 1 ATOM 430 C CD . PRO 57 57 ? A 1.832 -23.713 34.066 1.000 1 A 41.685 1 ATOM 431 N N . HIS 58 58 ? A -1.559 -25.658 32.326 1.000 1 A 32.142 1 ATOM 432 C CA . HIS 58 58 ? A -2.163 -26.924 32.724 1.000 1 A 32.142 1 ATOM 433 C C . HIS 58 58 ? A -2.651 -27.708 31.510 1.000 1 A 32.142 1 ATOM 434 O O . HIS 58 58 ? A -3.343 -27.159 30.649 1.000 1 A 32.142 1 ATOM 435 C CB . HIS 58 58 ? A -3.321 -26.684 33.695 1.000 1 A 32.142 1 ATOM 436 C CG . HIS 58 58 ? A -3.063 -27.200 35.075 1.000 1 A 32.142 1 ATOM 437 N ND1 . HIS 58 58 ? A -3.026 -28.545 35.371 1.000 1 A 32.142 1 ATOM 438 C CD2 . HIS 58 58 ? A -2.828 -26.548 36.238 1.000 1 A 32.142 1 ATOM 439 C CE1 . HIS 58 58 ? A -2.779 -28.698 36.662 1.000 1 A 32.142 1 ATOM 440 N NE2 . HIS 58 58 ? A -2.654 -27.502 37.210 1.000 1 A 32.142 1 ATOM 441 N N . PRO 59 59 ? A -2.299 -28.971 31.402 1.000 1 A 38.742 1 ATOM 442 C CA . PRO 59 59 ? A -2.640 -30.189 30.663 1.000 1 A 38.742 1 ATOM 443 C C . PRO 59 59 ? A -3.867 -30.900 31.232 1.000 1 A 38.742 1 ATOM 444 O O . PRO 59 59 ? A -4.169 -30.762 32.420 1.000 1 A 38.742 1 ATOM 445 C CB . PRO 59 59 ? A -1.388 -31.056 30.814 1.000 1 A 38.742 1 ATOM 446 C CG . PRO 59 59 ? A -0.830 -30.691 32.152 1.000 1 A 38.742 1 ATOM 447 C CD . PRO 59 59 ? A -1.666 -29.587 32.733 1.000 1 A 38.742 1 ATOM 448 N N . ALA 60 60 ? A -4.767 -31.386 30.326 1.000 1 A 29.421 1 ATOM 449 C CA . ALA 60 60 ? A -5.279 -32.754 30.335 1.000 1 A 29.421 1 ATOM 450 C C . ALA 60 60 ? A -6.756 -32.789 29.953 1.000 1 A 29.421 1 ATOM 451 O O . ALA 60 60 ? A -7.562 -32.030 30.495 1.000 1 A 29.421 1 ATOM 452 C CB . ALA 60 60 ? A -5.073 -33.390 31.708 1.000 1 A 29.421 1 ATOM 453 N N . ALA 61 61 ? A -7.136 -33.347 28.819 1.000 1 A 30.533 1 ATOM 454 C CA . ALA 61 61 ? A -7.939 -34.566 28.762 1.000 1 A 30.533 1 ATOM 455 C C . ALA 61 61 ? A -9.113 -34.404 27.800 1.000 1 A 30.533 1 ATOM 456 O O . ALA 61 61 ? A -9.832 -33.404 27.851 1.000 1 A 30.533 1 ATOM 457 C CB . ALA 61 61 ? A -8.443 -34.937 30.154 1.000 1 A 30.533 1 ATOM 458 N N . SER 62 62 ? A -9.169 -35.086 26.688 1.000 1 A 30.547 1 ATOM 459 C CA . SER 62 62 ? A -10.022 -36.229 26.379 1.000 1 A 30.547 1 ATOM 460 C C . SER 62 62 ? A -11.016 -35.894 25.271 1.000 1 A 30.547 1 ATOM 461 O O . SER 62 62 ? A -11.747 -34.906 25.364 1.000 1 A 30.547 1 ATOM 462 C CB . SER 62 62 ? A -10.775 -36.690 27.628 1.000 1 A 30.547 1 ATOM 463 O OG . SER 62 62 ? A -11.619 -35.661 28.114 1.000 1 A 30.547 1 ATOM 464 N N . ARG 63 63 ? A -10.895 -36.385 24.065 1.000 1 A 39.995 1 ATOM 465 C CA . ARG 63 63 ? A -11.978 -37.178 23.491 1.000 1 A 39.995 1 ATOM 466 C C . ARG 63 63 ? A -11.645 -37.611 22.067 1.000 1 A 39.995 1 ATOM 467 O O . ARG 63 63 ? A -11.238 -36.790 21.243 1.000 1 A 39.995 1 ATOM 468 C CB . ARG 63 63 ? A -13.289 -36.389 23.506 1.000 1 A 39.995 1 ATOM 469 C CG . ARG 63 63 ? A -14.428 -37.100 24.220 1.000 1 A 39.995 1 ATOM 470 C CD . ARG 63 63 ? A -15.703 -36.268 24.216 1.000 1 A 39.995 1 ATOM 471 N NE . ARG 63 63 ? A -16.825 -37.000 24.796 1.000 1 A 39.995 1 ATOM 472 C CZ . ARG 63 63 ? A -17.831 -36.441 25.463 1.000 1 A 39.995 1 ATOM 473 N NH1 . ARG 63 63 ? A -17.874 -35.126 25.649 1.000 1 A 39.995 1 ATOM 474 N NH2 . ARG 63 63 ? A -18.802 -37.201 25.949 1.000 1 A 39.995 1 ATOM 475 N N . ASP 64 64 ? A -11.110 -38.866 21.832 1.000 1 A 34.040 1 ATOM 476 C CA . ASP 64 64 ? A -11.335 -40.129 21.136 1.000 1 A 34.040 1 ATOM 477 C C . ASP 64 64 ? A -12.231 -39.931 19.916 1.000 1 A 34.040 1 ATOM 478 O O . ASP 64 64 ? A -13.218 -39.195 19.977 1.000 1 A 34.040 1 ATOM 479 C CB . ASP 64 64 ? A -11.953 -41.161 22.081 1.000 1 A 34.040 1 ATOM 480 C CG . ASP 64 64 ? A -10.916 -41.928 22.883 1.000 1 A 34.040 1 ATOM 481 O OD1 . ASP 64 64 ? A -9.746 -42.007 22.449 1.000 1 A 34.040 1 ATOM 482 O OD2 . ASP 64 64 ? A -11.272 -42.459 23.956 1.000 1 A 34.040 1 ATOM 483 N N . PRO 65 65 ? A -12.217 -40.861 18.916 1.000 1 A 48.950 1 ATOM 484 C CA . PRO 65 65 ? A -12.585 -41.156 17.530 1.000 1 A 48.950 1 ATOM 485 C C . PRO 65 65 ? A -13.823 -42.043 17.424 1.000 1 A 48.950 1 ATOM 486 O O . PRO 65 65 ? A -14.217 -42.680 18.405 1.000 1 A 48.950 1 ATOM 487 C CB . PRO 65 65 ? A -11.350 -41.875 16.982 1.000 1 A 48.950 1 ATOM 488 C CG . PRO 65 65 ? A -10.830 -42.672 18.134 1.000 1 A 48.950 1 ATOM 489 C CD . PRO 65 65 ? A -11.630 -42.323 19.356 1.000 1 A 48.950 1 ATOM 490 N N . VAL 66 66 ? A -14.836 -41.761 16.518 1.000 1 A 31.022 1 ATOM 491 C CA . VAL 66 66 ? A -15.634 -42.799 15.873 1.000 1 A 31.022 1 ATOM 492 C C . VAL 66 66 ? A -16.642 -42.160 14.921 1.000 1 A 31.022 1 ATOM 493 O O . VAL 66 66 ? A -17.356 -41.228 15.297 1.000 1 A 31.022 1 ATOM 494 C CB . VAL 66 66 ? A -16.365 -43.680 16.911 1.000 1 A 31.022 1 ATOM 495 C CG1 . VAL 66 66 ? A -17.239 -44.721 16.214 1.000 1 A 31.022 1 ATOM 496 C CG2 . VAL 66 66 ? A -15.359 -44.357 17.839 1.000 1 A 31.022 1 ATOM 497 N N . ALA 67 67 ? A -16.510 -42.213 13.579 1.000 1 A 31.762 1 ATOM 498 C CA . ALA 67 67 ? A -17.591 -42.864 12.843 1.000 1 A 31.762 1 ATOM 499 C C . ALA 67 67 ? A -17.796 -42.211 11.479 1.000 1 A 31.762 1 ATOM 500 O O . ALA 67 67 ? A -17.898 -40.986 11.379 1.000 1 A 31.762 1 ATOM 501 C CB . ALA 67 67 ? A -18.886 -42.822 13.650 1.000 1 A 31.762 1 ATOM 502 N N . ARG 68 68 ? A -17.346 -42.823 10.355 1.000 1 A 33.940 1 ATOM 503 C CA . ARG 68 68 ? A -18.164 -43.536 9.379 1.000 1 A 33.940 1 ATOM 504 C C . ARG 68 68 ? A -18.355 -42.706 8.114 1.000 1 A 33.940 1 ATOM 505 O O . ARG 68 68 ? A -18.673 -41.517 8.188 1.000 1 A 33.940 1 ATOM 506 C CB . ARG 68 68 ? A -19.525 -43.898 9.979 1.000 1 A 33.940 1 ATOM 507 C CG . ARG 68 68 ? A -19.485 -45.090 10.921 1.000 1 A 33.940 1 ATOM 508 C CD . ARG 68 68 ? A -20.874 -45.663 11.165 1.000 1 A 33.940 1 ATOM 509 N NE . ARG 68 68 ? A -21.436 -45.194 12.428 1.000 1 A 33.940 1 ATOM 510 C CZ . ARG 68 68 ? A -22.655 -44.680 12.571 1.000 1 A 33.940 1 ATOM 511 N NH1 . ARG 68 68 ? A -23.466 -44.558 11.526 1.000 1 A 33.940 1 ATOM 512 N NH2 . ARG 68 68 ? A -23.066 -44.284 13.767 1.000 1 A 33.940 1 ATOM 513 N N . THR 69 69 ? A -17.857 -43.143 6.953 1.000 1 A 30.397 1 ATOM 514 C CA . THR 69 69 ? A -18.274 -43.739 5.689 1.000 1 A 30.397 1 ATOM 515 C C . THR 69 69 ? A -18.936 -42.697 4.792 1.000 1 A 30.397 1 ATOM 516 O O . THR 69 69 ? A -19.822 -41.963 5.235 1.000 1 A 30.397 1 ATOM 517 C CB . THR 69 69 ? A -19.243 -44.914 5.918 1.000 1 A 30.397 1 ATOM 518 O OG1 . THR 69 69 ? A -19.938 -44.718 7.155 1.000 1 A 30.397 1 ATOM 519 C CG2 . THR 69 69 ? A -18.494 -46.242 5.974 1.000 1 A 30.397 1 ATOM 520 N N . SER 70 70 ? A -18.290 -42.259 3.706 1.000 1 A 33.158 1 ATOM 521 C CA . SER 70 70 ? A -18.803 -42.411 2.349 1.000 1 A 33.158 1 ATOM 522 C C . SER 70 70 ? A -17.735 -42.073 1.314 1.000 1 A 33.158 1 ATOM 523 O O . SER 70 70 ? A -17.072 -41.038 1.414 1.000 1 A 33.158 1 ATOM 524 C CB . SER 70 70 ? A -20.030 -41.525 2.136 1.000 1 A 33.158 1 ATOM 525 O OG . SER 70 70 ? A -20.853 -42.044 1.105 1.000 1 A 33.158 1 ATOM 526 N N . PRO 71 71 ? A -17.397 -42.982 0.342 1.000 1 A 40.602 1 ATOM 527 C CA . PRO 71 71 ? A -16.757 -42.692 -0.943 1.000 1 A 40.602 1 ATOM 528 C C . PRO 71 71 ? A -17.759 -42.290 -2.024 1.000 1 A 40.602 1 ATOM 529 O O . PRO 71 71 ? A -18.872 -42.819 -2.066 1.000 1 A 40.602 1 ATOM 530 C CB . PRO 71 71 ? A -16.070 -44.012 -1.300 1.000 1 A 40.602 1 ATOM 531 C CG . PRO 71 71 ? A -16.853 -45.059 -0.577 1.000 1 A 40.602 1 ATOM 532 C CD . PRO 71 71 ? A -17.943 -44.384 0.205 1.000 1 A 40.602 1 ATOM 533 N N . LEU 72 72 ? A -17.844 -41.047 -2.441 1.000 1 A 36.725 1 ATOM 534 C CA . LEU 72 72 ? A -18.528 -40.695 -3.680 1.000 1 A 36.725 1 ATOM 535 C C . LEU 72 72 ? A -17.526 -40.343 -4.774 1.000 1 A 36.725 1 ATOM 536 O O . LEU 72 72 ? A -16.687 -39.457 -4.592 1.000 1 A 36.725 1 ATOM 537 C CB . LEU 72 72 ? A -19.483 -39.521 -3.450 1.000 1 A 36.725 1 ATOM 538 C CG . LEU 72 72 ? A -20.953 -39.877 -3.219 1.000 1 A 36.725 1 ATOM 539 C CD1 . LEU 72 72 ? A -21.488 -39.149 -1.991 1.000 1 A 36.725 1 ATOM 540 C CD2 . LEU 72 72 ? A -21.785 -39.540 -4.451 1.000 1 A 36.725 1 ATOM 541 N N . GLN 73 73 ? A -17.026 -41.320 -5.503 1.000 1 A 29.152 1 ATOM 542 C CA . GLN 73 73 ? A -16.906 -41.585 -6.933 1.000 1 A 29.152 1 ATOM 543 C C . GLN 73 73 ? A -17.967 -40.824 -7.724 1.000 1 A 29.152 1 ATOM 544 O O . GLN 73 73 ? A -19.165 -41.015 -7.507 1.000 1 A 29.152 1 ATOM 545 C CB . GLN 73 73 ? A -17.016 -43.084 -7.214 1.000 1 A 29.152 1 ATOM 546 C CG . GLN 73 73 ? A -15.732 -43.856 -6.942 1.000 1 A 29.152 1 ATOM 547 C CD . GLN 73 73 ? A -15.843 -45.325 -7.305 1.000 1 A 29.152 1 ATOM 548 O OE1 . GLN 73 73 ? A -16.580 -45.698 -8.223 1.000 1 A 29.152 1 ATOM 549 N NE2 . GLN 73 73 ? A -15.112 -46.171 -6.586 1.000 1 A 29.152 1 ATOM 550 N N . THR 74 74 ? A -17.705 -39.647 -8.270 1.000 1 A 38.530 1 ATOM 551 C CA . THR 74 74 ? A -18.238 -39.095 -9.511 1.000 1 A 38.530 1 ATOM 552 C C . THR 74 74 ? A -17.217 -39.216 -10.639 1.000 1 A 38.530 1 ATOM 553 O O . THR 74 74 ? A -16.037 -38.916 -10.450 1.000 1 A 38.530 1 ATOM 554 C CB . THR 74 74 ? A -18.642 -37.619 -9.337 1.000 1 A 38.530 1 ATOM 555 O OG1 . THR 74 74 ? A -18.077 -37.115 -8.121 1.000 1 A 38.530 1 ATOM 556 C CG2 . THR 74 74 ? A -20.158 -37.467 -9.281 1.000 1 A 38.530 1 ATOM 557 N N . PRO 75 75 ? A -17.513 -40.005 -11.825 1.000 1 A 39.552 1 ATOM 558 C CA . PRO 75 75 ? A -16.917 -40.170 -13.153 1.000 1 A 39.552 1 ATOM 559 C C . PRO 75 75 ? A -17.090 -38.935 -14.034 1.000 1 A 39.552 1 ATOM 560 O O . PRO 75 75 ? A -18.130 -38.274 -13.981 1.000 1 A 39.552 1 ATOM 561 C CB . PRO 75 75 ? A -17.676 -41.366 -13.734 1.000 1 A 39.552 1 ATOM 562 C CG . PRO 75 75 ? A -18.916 -41.470 -12.906 1.000 1 A 39.552 1 ATOM 563 C CD . PRO 75 75 ? A -18.948 -40.315 -11.947 1.000 1 A 39.552 1 ATOM 564 N N . ALA 76 76 ? A -16.050 -38.282 -14.669 1.000 1 A 32.590 1 ATOM 565 C CA . ALA 76 76 ? A -15.657 -37.972 -16.042 1.000 1 A 32.590 1 ATOM 566 C C . ALA 76 76 ? A -16.320 -36.684 -16.523 1.000 1 A 32.590 1 ATOM 567 O O . ALA 76 76 ? A -17.541 -36.631 -16.688 1.000 1 A 32.590 1 ATOM 568 C CB . ALA 76 76 ? A -16.012 -39.129 -16.972 1.000 1 A 32.590 1 ATOM 569 N N . ALA 77 77 ? A -15.648 -35.529 -16.434 1.000 1 A 36.045 1 ATOM 570 C CA . ALA 77 77 ? A -15.560 -34.563 -17.526 1.000 1 A 36.045 1 ATOM 571 C C . ALA 77 77 ? A -14.110 -34.167 -17.792 1.000 1 A 36.045 1 ATOM 572 O O . ALA 77 77 ? A -13.354 -33.892 -16.857 1.000 1 A 36.045 1 ATOM 573 C CB . ALA 77 77 ? A -16.398 -33.326 -17.213 1.000 1 A 36.045 1 ATOM 574 N N . PRO 78 78 ? A -13.435 -34.483 -18.968 1.000 1 A 41.484 1 ATOM 575 C CA . PRO 78 78 ? A -12.251 -33.850 -19.552 1.000 1 A 41.484 1 ATOM 576 C C . PRO 78 78 ? A -12.555 -32.491 -20.178 1.000 1 A 41.484 1 ATOM 577 O O . PRO 78 78 ? A -13.638 -32.293 -20.735 1.000 1 A 41.484 1 ATOM 578 C CB . PRO 78 78 ? A -11.805 -34.854 -20.619 1.000 1 A 41.484 1 ATOM 579 C CG . PRO 78 78 ? A -13.051 -35.591 -20.994 1.000 1 A 41.484 1 ATOM 580 C CD . PRO 78 78 ? A -14.182 -35.075 -20.152 1.000 1 A 41.484 1 ATOM 581 N N . GLY 79 79 ? A -12.230 -31.297 -19.553 1.000 1 A 37.830 1 ATOM 582 C CA . GLY 79 79 ? A -11.825 -30.131 -20.322 1.000 1 A 37.830 1 ATOM 583 C C . GLY 79 79 ? A -12.268 -28.821 -19.697 1.000 1 A 37.830 1 ATOM 584 O O . GLY 79 79 ? A -13.460 -28.507 -19.681 1.000 1 A 37.830 1 ATOM 585 N N . ALA 80 80 ? A -11.605 -28.312 -18.545 1.000 1 A 40.674 1 ATOM 586 C CA . ALA 80 80 ? A -11.827 -26.874 -18.413 1.000 1 A 40.674 1 ATOM 587 C C . ALA 80 80 ? A -10.577 -26.171 -17.895 1.000 1 A 40.674 1 ATOM 588 O O . ALA 80 80 ? A -10.024 -26.555 -16.861 1.000 1 A 40.674 1 ATOM 589 C CB . ALA 80 80 ? A -13.010 -26.602 -17.487 1.000 1 A 40.674 1 ATOM 590 N N . ALA 81 81 ? A -9.477 -26.067 -18.680 1.000 1 A 39.793 1 ATOM 591 C CA . ALA 81 81 ? A -8.721 -24.862 -19.008 1.000 1 A 39.793 1 ATOM 592 C C . ALA 81 81 ? A -7.839 -24.432 -17.839 1.000 1 A 39.793 1 ATOM 593 O O . ALA 81 81 ? A -8.340 -23.968 -16.813 1.000 1 A 39.793 1 ATOM 594 C CB . ALA 81 81 ? A -9.667 -23.730 -19.400 1.000 1 A 39.793 1 ATOM 595 N N . ALA 82 82 ? A -6.913 -25.241 -17.393 1.000 1 A 45.958 1 ATOM 596 C CA . ALA 82 82 ? A -5.663 -24.966 -16.689 1.000 1 A 45.958 1 ATOM 597 C C . ALA 82 82 ? A -5.226 -23.518 -16.894 1.000 1 A 45.958 1 ATOM 598 O O . ALA 82 82 ? A -4.890 -23.116 -18.010 1.000 1 A 45.958 1 ATOM 599 C CB . ALA 82 82 ? A -4.567 -25.921 -17.158 1.000 1 A 45.958 1 ATOM 600 N N . GLY 83 83 ? A -6.093 -22.509 -16.649 1.000 1 A 45.370 1 ATOM 601 C CA . GLY 83 83 ? A -5.624 -21.136 -16.543 1.000 1 A 45.370 1 ATOM 602 C C . GLY 83 83 ? A -4.159 -21.034 -16.163 1.000 1 A 45.370 1 ATOM 603 O O . GLY 83 83 ? A -3.558 -22.014 -15.716 1.000 1 A 45.370 1 ATOM 604 N N . PRO 84 84 ? A -3.391 -20.232 -17.023 1.000 1 A 57.000 1 ATOM 605 C CA . PRO 84 84 ? A -1.957 -20.017 -16.814 1.000 1 A 57.000 1 ATOM 606 C C . PRO 84 84 ? A -1.556 -20.100 -15.343 1.000 1 A 57.000 1 ATOM 607 O O . PRO 84 84 ? A -2.241 -19.544 -14.481 1.000 1 A 57.000 1 ATOM 608 C CB . PRO 84 84 ? A -1.727 -18.607 -17.364 1.000 1 A 57.000 1 ATOM 609 C CG . PRO 84 84 ? A -3.055 -18.189 -17.909 1.000 1 A 57.000 1 ATOM 610 C CD . PRO 84 84 ? A -4.082 -19.204 -17.495 1.000 1 A 57.000 1 ATOM 611 N N . ALA 85 85 ? A -1.210 -21.201 -14.778 1.000 1 A 64.229 1 ATOM 612 C CA . ALA 85 85 ? A -0.614 -21.482 -13.475 1.000 1 A 64.229 1 ATOM 613 C C . ALA 85 85 ? A 0.289 -20.336 -13.025 1.000 1 A 64.229 1 ATOM 614 O O . ALA 85 85 ? A 1.121 -19.853 -13.797 1.000 1 A 64.229 1 ATOM 615 C CB . ALA 85 85 ? A 0.175 -22.789 -13.521 1.000 1 A 64.229 1 ATOM 616 N N . LEU 86 86 ? A -0.268 -19.225 -12.431 1.000 1 A 71.254 1 ATOM 617 C CA . LEU 86 86 ? A 0.528 -18.172 -11.810 1.000 1 A 71.254 1 ATOM 618 C C . LEU 86 86 ? A 1.764 -18.753 -11.131 1.000 1 A 71.254 1 ATOM 619 O O . LEU 86 86 ? A 1.705 -19.839 -10.550 1.000 1 A 71.254 1 ATOM 620 C CB . LEU 86 86 ? A -0.311 -17.395 -10.792 1.000 1 A 71.254 1 ATOM 621 C CG . LEU 86 86 ? A -1.513 -16.630 -11.346 1.000 1 A 71.254 1 ATOM 622 C CD1 . LEU 86 86 ? A -2.373 -16.095 -10.206 1.000 1 A 71.254 1 ATOM 623 C CD2 . LEU 86 86 ? A -1.052 -15.494 -12.253 1.000 1 A 71.254 1 ATOM 624 N N . SER 87 87 ? A 2.947 -18.230 -11.532 1.000 1 A 78.004 1 ATOM 625 C CA . SER 87 87 ? A 4.242 -18.604 -10.973 1.000 1 A 78.004 1 ATOM 626 C C . SER 87 87 ? A 4.401 -18.082 -9.548 1.000 1 A 78.004 1 ATOM 627 O O . SER 87 87 ? A 3.815 -17.059 -9.187 1.000 1 A 78.004 1 ATOM 628 C CB . SER 87 87 ? A 5.378 -18.073 -11.848 1.000 1 A 78.004 1 ATOM 629 O OG . SER 87 87 ? A 5.410 -16.656 -11.827 1.000 1 A 78.004 1 ATOM 630 N N . PRO 88 88 ? A 4.920 -18.982 -8.676 1.000 1 A 84.641 1 ATOM 631 C CA . PRO 88 88 ? A 5.237 -18.471 -7.340 1.000 1 A 84.641 1 ATOM 632 C C . PRO 88 88 ? A 6.069 -17.192 -7.380 1.000 1 A 84.641 1 ATOM 633 O O . PRO 88 88 ? A 6.853 -16.989 -8.310 1.000 1 A 84.641 1 ATOM 634 C CB . PRO 88 88 ? A 6.027 -19.617 -6.703 1.000 1 A 84.641 1 ATOM 635 C CG . PRO 88 88 ? A 6.586 -20.384 -7.858 1.000 1 A 84.641 1 ATOM 636 C CD . PRO 88 88 ? A 5.685 -20.186 -9.043 1.000 1 A 84.641 1 ATOM 637 N N . VAL 89 89 ? A 5.748 -16.220 -6.519 1.000 1 A 86.856 1 ATOM 638 C CA . VAL 89 89 ? A 6.419 -14.925 -6.456 1.000 1 A 86.856 1 ATOM 639 C C . VAL 89 89 ? A 7.823 -15.098 -5.880 1.000 1 A 86.856 1 ATOM 640 O O . VAL 89 89 ? A 7.988 -15.641 -4.785 1.000 1 A 86.856 1 ATOM 641 C CB . VAL 89 89 ? A 5.617 -13.911 -5.611 1.000 1 A 86.856 1 ATOM 642 C CG1 . VAL 89 89 ? A 6.320 -12.555 -5.584 1.000 1 A 86.856 1 ATOM 643 C CG2 . VAL 89 89 ? A 4.197 -13.768 -6.155 1.000 1 A 86.856 1 ATOM 644 N N . PRO 90 90 ? A 8.880 -14.807 -6.650 1.000 1 A 89.662 1 ATOM 645 C CA . PRO 90 90 ? A 10.249 -14.870 -6.132 1.000 1 A 89.662 1 ATOM 646 C C . PRO 90 90 ? A 10.430 -14.072 -4.843 1.000 1 A 89.662 1 ATOM 647 O O . PRO 90 90 ? A 9.842 -12.998 -4.690 1.000 1 A 89.662 1 ATOM 648 C CB . PRO 90 90 ? A 11.083 -14.271 -7.267 1.000 1 A 89.662 1 ATOM 649 C CG . PRO 90 90 ? A 10.223 -14.399 -8.483 1.000 1 A 89.662 1 ATOM 650 C CD . PRO 90 90 ? A 8.784 -14.312 -8.060 1.000 1 A 89.662 1 ATOM 651 N N . PRO 91 91 ? A 11.162 -14.591 -3.891 1.000 1 A 92.130 1 ATOM 652 C CA . PRO 91 91 ? A 11.385 -13.930 -2.603 1.000 1 A 92.130 1 ATOM 653 C C . PRO 91 91 ? A 11.907 -12.503 -2.754 1.000 1 A 92.130 1 ATOM 654 O O . PRO 91 91 ? A 11.611 -11.642 -1.921 1.000 1 A 92.130 1 ATOM 655 C CB . PRO 91 91 ? A 12.426 -14.823 -1.924 1.000 1 A 92.130 1 ATOM 656 C CG . PRO 91 91 ? A 12.271 -16.158 -2.579 1.000 1 A 92.130 1 ATOM 657 C CD . PRO 91 91 ? A 11.861 -15.943 -4.008 1.000 1 A 92.130 1 ATOM 658 N N . VAL 92 92 ? A 12.615 -12.257 -3.780 1.000 1 A 91.951 1 ATOM 659 C CA . VAL 92 92 ? A 13.252 -10.956 -3.962 1.000 1 A 91.951 1 ATOM 660 C C . VAL 92 92 ? A 12.184 -9.880 -4.147 1.000 1 A 91.951 1 ATOM 661 O O . VAL 92 92 ? A 12.387 -8.724 -3.766 1.000 1 A 91.951 1 ATOM 662 C CB . VAL 92 92 ? A 14.218 -10.961 -5.168 1.000 1 A 91.951 1 ATOM 663 C CG1 . VAL 92 92 ? A 13.448 -11.139 -6.476 1.000 1 A 91.951 1 ATOM 664 C CG2 . VAL 92 92 ? A 15.038 -9.673 -5.199 1.000 1 A 91.951 1 ATOM 665 N N . VAL 93 93 ? A 11.090 -10.232 -4.742 1.000 1 A 93.921 1 ATOM 666 C CA . VAL 93 93 ? A 9.998 -9.281 -4.927 1.000 1 A 93.921 1 ATOM 667 C C . VAL 93 93 ? A 9.459 -8.843 -3.567 1.000 1 A 93.921 1 ATOM 668 O O . VAL 93 93 ? A 9.267 -7.649 -3.324 1.000 1 A 93.921 1 ATOM 669 C CB . VAL 93 93 ? A 8.860 -9.883 -5.783 1.000 1 A 93.921 1 ATOM 670 C CG1 . VAL 93 93 ? A 7.652 -8.948 -5.808 1.000 1 A 93.921 1 ATOM 671 C CG2 . VAL 93 93 ? A 9.352 -10.164 -7.201 1.000 1 A 93.921 1 ATOM 672 N N . HIS 94 94 ? A 9.198 -9.821 -2.686 1.000 1 A 94.801 1 ATOM 673 C CA . HIS 94 94 ? A 8.695 -9.518 -1.351 1.000 1 A 94.801 1 ATOM 674 C C . HIS 94 94 ? A 9.687 -8.664 -0.569 1.000 1 A 94.801 1 ATOM 675 O O . HIS 94 94 ? A 9.296 -7.698 0.090 1.000 1 A 94.801 1 ATOM 676 C CB . HIS 94 94 ? A 8.396 -10.809 -0.586 1.000 1 A 94.801 1 ATOM 677 C CG . HIS 94 94 ? A 7.331 -11.648 -1.217 1.000 1 A 94.801 1 ATOM 678 N ND1 . HIS 94 94 ? A 6.008 -11.264 -1.257 1.000 1 A 94.801 1 ATOM 679 C CD2 . HIS 94 94 ? A 7.397 -12.849 -1.837 1.000 1 A 94.801 1 ATOM 680 C CE1 . HIS 94 94 ? A 5.304 -12.198 -1.874 1.000 1 A 94.801 1 ATOM 681 N NE2 . HIS 94 94 ? A 6.123 -13.171 -2.237 1.000 1 A 94.801 1 ATOM 682 N N . LEU 95 95 ? A 10.908 -8.993 -0.637 1.000 1 A 94.371 1 ATOM 683 C CA . LEU 95 95 ? A 11.958 -8.280 0.081 1.000 1 A 94.371 1 ATOM 684 C C . LEU 95 95 ? A 12.065 -6.837 -0.402 1.000 1 A 94.371 1 ATOM 685 O O . LEU 95 95 ? A 12.176 -5.914 0.407 1.000 1 A 94.371 1 ATOM 686 C CB . LEU 95 95 ? A 13.304 -8.989 -0.094 1.000 1 A 94.371 1 ATOM 687 C CG . LEU 95 95 ? A 13.476 -10.310 0.658 1.000 1 A 94.371 1 ATOM 688 C CD1 . LEU 95 95 ? A 14.798 -10.969 0.276 1.000 1 A 94.371 1 ATOM 689 C CD2 . LEU 95 95 ? A 13.402 -10.082 2.164 1.000 1 A 94.371 1 ATOM 690 N N . THR 96 96 ? A 12.093 -6.681 -1.711 1.000 1 A 94.733 1 ATOM 691 C CA . THR 96 96 ? A 12.199 -5.348 -2.294 1.000 1 A 94.733 1 ATOM 692 C C . THR 96 96 ? A 10.991 -4.495 -1.919 1.000 1 A 94.733 1 ATOM 693 O O . THR 96 96 ? A 11.136 -3.322 -1.571 1.000 1 A 94.733 1 ATOM 694 C CB . THR 96 96 ? A 12.326 -5.418 -3.827 1.000 1 A 94.733 1 ATOM 695 O OG1 . THR 96 96 ? A 13.458 -6.227 -4.171 1.000 1 A 94.733 1 ATOM 696 C CG2 . THR 96 96 ? A 12.508 -4.028 -4.428 1.000 1 A 94.733 1 ATOM 697 N N . LEU 97 97 ? A 9.807 -5.029 -1.998 1.000 1 A 96.485 1 ATOM 698 C CA . LEU 97 97 ? A 8.594 -4.316 -1.614 1.000 1 A 96.485 1 ATOM 699 C C . LEU 97 97 ? A 8.636 -3.926 -0.140 1.000 1 A 96.485 1 ATOM 700 O O . LEU 97 97 ? A 8.288 -2.799 0.219 1.000 1 A 96.485 1 ATOM 701 C CB . LEU 97 97 ? A 7.357 -5.174 -1.892 1.000 1 A 96.485 1 ATOM 702 C CG . LEU 97 97 ? A 6.002 -4.515 -1.628 1.000 1 A 96.485 1 ATOM 703 C CD1 . LEU 97 97 ? A 5.845 -3.263 -2.486 1.000 1 A 96.485 1 ATOM 704 C CD2 . LEU 97 97 ? A 4.868 -5.498 -1.896 1.000 1 A 96.485 1 ATOM 705 N N . ARG 98 98 ? A 9.085 -4.827 0.717 1.000 1 A 95.664 1 ATOM 706 C CA . ARG 98 98 ? A 9.214 -4.532 2.140 1.000 1 A 95.664 1 ATOM 707 C C . ARG 98 98 ? A 10.182 -3.377 2.375 1.000 1 A 95.664 1 ATOM 708 O O . ARG 98 98 ? A 9.895 -2.468 3.156 1.000 1 A 95.664 1 ATOM 709 C CB . ARG 98 98 ? A 9.681 -5.771 2.907 1.000 1 A 95.664 1 ATOM 710 C CG . ARG 98 98 ? A 8.641 -6.877 2.982 1.000 1 A 95.664 1 ATOM 711 C CD . ARG 98 98 ? A 9.173 -8.103 3.712 1.000 1 A 95.664 1 ATOM 712 N NE . ARG 98 98 ? A 8.260 -9.236 3.599 1.000 1 A 95.664 1 ATOM 713 C CZ . ARG 98 98 ? A 8.549 -10.483 3.962 1.000 1 A 95.664 1 ATOM 714 N NH1 . ARG 98 98 ? A 9.739 -10.781 4.472 1.000 1 A 95.664 1 ATOM 715 N NH2 . ARG 98 98 ? A 7.643 -11.438 3.815 1.000 1 A 95.664 1 ATOM 716 N N . GLN 99 99 ? A 11.144 -3.501 1.802 1.000 1 A 94.321 1 ATOM 717 C CA . GLN 99 99 ? A 12.176 -2.485 1.980 1.000 1 A 94.321 1 ATOM 718 C C . GLN 99 99 ? A 11.701 -1.125 1.475 1.000 1 A 94.321 1 ATOM 719 O O . GLN 99 99 ? A 11.884 -0.109 2.149 1.000 1 A 94.321 1 ATOM 720 C CB . GLN 99 99 ? A 13.462 -2.893 1.259 1.000 1 A 94.321 1 ATOM 721 C CG . GLN 99 99 ? A 14.663 -2.022 1.604 1.000 1 A 94.321 1 ATOM 722 C CD . GLN 99 99 ? A 15.986 -2.715 1.338 1.000 1 A 94.321 1 ATOM 723 O OE1 . GLN 99 99 ? A 16.023 -3.826 0.799 1.000 1 A 94.321 1 ATOM 724 N NE2 . GLN 99 99 ? A 17.082 -2.065 1.713 1.000 1 A 94.321 1 ATOM 725 N N . ALA 100 100 ? A 11.266 -1.121 0.229 1.000 1 A 95.105 1 ATOM 726 C CA . ALA 100 100 ? A 10.723 0.120 -0.317 1.000 1 A 95.105 1 ATOM 727 C C . ALA 100 100 ? A 9.634 0.688 0.590 1.000 1 A 95.105 1 ATOM 728 O O . ALA 100 100 ? A 9.580 1.898 0.823 1.000 1 A 95.105 1 ATOM 729 C CB . ALA 100 100 ? A 10.173 -0.112 -1.722 1.000 1 A 95.105 1 ATOM 730 N N . GLY 101 101 ? A 8.790 -0.181 1.012 1.000 1 A 96.239 1 ATOM 731 C CA . GLY 101 101 ? A 7.742 0.242 1.927 1.000 1 A 96.239 1 ATOM 732 C C . GLY 101 101 ? A 8.279 0.808 3.228 1.000 1 A 96.239 1 ATOM 733 O O . GLY 101 101 ? A 7.800 1.837 3.708 1.000 1 A 96.239 1 ATOM 734 N N . ASP 102 102 ? A 9.314 0.138 3.798 1.000 1 A 95.027 1 ATOM 735 C CA . ASP 102 102 ? A 9.945 0.622 5.023 1.000 1 A 95.027 1 ATOM 736 C C . ASP 102 102 ? A 10.575 1.996 4.809 1.000 1 A 95.027 1 ATOM 737 O O . ASP 102 102 ? A 10.495 2.864 5.681 1.000 1 A 95.027 1 ATOM 738 C CB . ASP 102 102 ? A 11.001 -0.371 5.512 1.000 1 A 95.027 1 ATOM 739 C CG . ASP 102 102 ? A 10.399 -1.642 6.085 1.000 1 A 95.027 1 ATOM 740 O OD1 . ASP 102 102 ? A 9.171 -1.687 6.312 1.000 1 A 95.027 1 ATOM 741 O OD2 . ASP 102 102 ? A 11.161 -2.607 6.314 1.000 1 A 95.027 1 ATOM 742 N N . ASP 103 103 ? A 11.182 2.137 3.703 1.000 1 A 94.217 1 ATOM 743 C CA . ASP 103 103 ? A 11.784 3.425 3.370 1.000 1 A 94.217 1 ATOM 744 C C . ASP 103 103 ? A 10.719 4.512 3.243 1.000 1 A 94.217 1 ATOM 745 O O . ASP 103 103 ? A 10.886 5.616 3.765 1.000 1 A 94.217 1 ATOM 746 C CB . ASP 103 103 ? A 12.588 3.322 2.072 1.000 1 A 94.217 1 ATOM 747 C CG . ASP 103 103 ? A 13.421 4.560 1.791 1.000 1 A 94.217 1 ATOM 748 O OD1 . ASP 103 103 ? A 14.154 5.020 2.693 1.000 1 A 94.217 1 ATOM 749 O OD2 . ASP 103 103 ? A 13.342 5.082 0.658 1.000 1 A 94.217 1 ATOM 750 N N . PHE 104 104 ? A 9.663 4.179 2.559 1.000 1 A 94.868 1 ATOM 751 C CA . PHE 104 104 ? A 8.557 5.114 2.390 1.000 1 A 94.868 1 ATOM 752 C C . PHE 104 104 ? A 7.975 5.515 3.740 1.000 1 A 94.868 1 ATOM 753 O O . PHE 104 104 ? A 7.762 6.700 4.003 1.000 1 A 94.868 1 ATOM 754 C CB . PHE 104 104 ? A 7.464 4.501 1.508 1.000 1 A 94.868 1 ATOM 755 C CG . PHE 104 104 ? A 6.352 5.457 1.168 1.000 1 A 94.868 1 ATOM 756 C CD1 . PHE 104 104 ? A 5.202 5.513 1.945 1.000 1 A 94.868 1 ATOM 757 C CD2 . PHE 104 104 ? A 6.458 6.301 0.070 1.000 1 A 94.868 1 ATOM 758 C CE1 . PHE 104 104 ? A 4.172 6.397 1.632 1.000 1 A 94.868 1 ATOM 759 C CE2 . PHE 104 104 ? A 5.433 7.187 -0.249 1.000 1 A 94.868 1 ATOM 760 C CZ . PHE 104 104 ? A 4.290 7.232 0.533 1.000 1 A 94.868 1 ATOM 761 N N . SER 105 105 ? A 7.707 4.544 4.591 1.000 1 A 94.019 1 ATOM 762 C CA . SER 105 105 ? A 7.105 4.786 5.898 1.000 1 A 94.019 1 ATOM 763 C C . SER 105 105 ? A 8.035 5.598 6.793 1.000 1 A 94.019 1 ATOM 764 O O . SER 105 105 ? A 7.583 6.470 7.538 1.000 1 A 94.019 1 ATOM 765 C CB . SER 105 105 ? A 6.755 3.463 6.581 1.000 1 A 94.019 1 ATOM 766 O OG . SER 105 105 ? A 6.075 3.692 7.803 1.000 1 A 94.019 1 ATOM 767 N N . ARG 106 106 ? A 9.292 5.342 6.697 1.000 1 A 93.796 1 ATOM 768 C CA . ARG 106 106 ? A 10.270 6.067 7.502 1.000 1 A 93.796 1 ATOM 769 C C . ARG 106 106 ? A 10.324 7.538 7.104 1.000 1 A 93.796 1 ATOM 770 O O . ARG 106 106 ? A 10.385 8.418 7.966 1.000 1 A 93.796 1 ATOM 771 C CB . ARG 106 106 ? A 11.656 5.435 7.362 1.000 1 A 93.796 1 ATOM 772 C CG . ARG 106 106 ? A 12.698 6.020 8.302 1.000 1 A 93.796 1 ATOM 773 C CD . ARG 106 106 ? A 14.012 5.254 8.234 1.000 1 A 93.796 1 ATOM 774 N NE . ARG 106 106 ? A 14.574 5.266 6.886 1.000 1 A 93.796 1 ATOM 775 C CZ . ARG 106 106 ? A 14.867 4.179 6.178 1.000 1 A 93.796 1 ATOM 776 N NH1 . ARG 106 106 ? A 14.657 2.967 6.677 1.000 1 A 93.796 1 ATOM 777 N NH2 . ARG 106 106 ? A 15.375 4.305 4.960 1.000 1 A 93.796 1 ATOM 778 N N . ARG 107 107 ? A 10.249 7.798 5.915 1.000 1 A 92.702 1 ATOM 779 C CA . ARG 107 107 ? A 10.338 9.162 5.404 1.000 1 A 92.702 1 ATOM 780 C C . ARG 107 107 ? A 9.094 9.966 5.766 1.000 1 A 92.702 1 ATOM 781 O O . ARG 107 107 ? A 9.175 11.173 6.002 1.000 1 A 92.702 1 ATOM 782 C CB . ARG 107 107 ? A 10.533 9.155 3.886 1.000 1 A 92.702 1 ATOM 783 C CG . ARG 107 107 ? A 11.941 8.786 3.448 1.000 1 A 92.702 1 ATOM 784 C CD . ARG 107 107 ? A 12.136 8.982 1.950 1.000 1 A 92.702 1 ATOM 785 N NE . ARG 107 107 ? A 11.865 7.756 1.207 1.000 1 A 92.702 1 ATOM 786 C CZ . ARG 107 107 ? A 12.018 7.616 -0.107 1.000 1 A 92.702 1 ATOM 787 N NH1 . ARG 107 107 ? A 12.444 8.631 -0.852 1.000 1 A 92.702 1 ATOM 788 N NH2 . ARG 107 107 ? A 11.743 6.455 -0.682 1.000 1 A 92.702 1 ATOM 789 N N . TYR 108 108 ? A 8.000 9.309 5.873 1.000 1 A 93.119 1 ATOM 790 C CA . TYR 108 108 ? A 6.754 10.040 6.074 1.000 1 A 93.119 1 ATOM 791 C C . TYR 108 108 ? A 6.027 9.547 7.319 1.000 1 A 93.119 1 ATOM 792 O O . TYR 108 108 ? A 4.796 9.472 7.339 1.000 1 A 93.119 1 ATOM 793 C CB . TYR 108 108 ? A 5.845 9.898 4.849 1.000 1 A 93.119 1 ATOM 794 C CG . TYR 108 108 ? A 6.485 10.359 3.562 1.000 1 A 93.119 1 ATOM 795 C CD1 . TYR 108 108 ? A 6.718 11.711 3.322 1.000 1 A 93.119 1 ATOM 796 C CD2 . TYR 108 108 ? A 6.857 9.443 2.583 1.000 1 A 93.119 1 ATOM 797 C CE1 . TYR 108 108 ? A 7.306 12.140 2.136 1.000 1 A 93.119 1 ATOM 798 C CE2 . TYR 108 108 ? A 7.446 9.860 1.394 1.000 1 A 93.119 1 ATOM 799 C CZ . TYR 108 108 ? A 7.666 11.209 1.180 1.000 1 A 93.119 1 ATOM 800 O OH . TYR 108 108 ? A 8.249 11.627 0.005 1.000 1 A 93.119 1 ATOM 801 N N . ARG 109 109 ? A 6.769 9.126 8.269 1.000 1 A 91.096 1 ATOM 802 C CA . ARG 109 109 ? A 6.265 8.540 9.508 1.000 1 A 91.096 1 ATOM 803 C C . ARG 109 109 ? A 5.272 9.475 10.190 1.000 1 A 91.096 1 ATOM 804 O O . ARG 109 109 ? A 4.191 9.047 10.601 1.000 1 A 91.096 1 ATOM 805 C CB . ARG 109 109 ? A 7.419 8.218 10.459 1.000 1 A 91.096 1 ATOM 806 C CG . ARG 109 109 ? A 6.988 7.508 11.732 1.000 1 A 91.096 1 ATOM 807 C CD . ARG 109 109 ? A 8.178 7.170 12.620 1.000 1 A 91.096 1 ATOM 808 N NE . ARG 109 109 ? A 7.767 6.444 13.819 1.000 1 A 91.096 1 ATOM 809 C CZ . ARG 109 109 ? A 8.601 5.964 14.737 1.000 1 A 91.096 1 ATOM 810 N NH1 . ARG 109 109 ? A 9.914 6.125 14.611 1.000 1 A 91.096 1 ATOM 811 N NH2 . ARG 109 109 ? A 8.120 5.319 15.789 1.000 1 A 91.096 1 ATOM 812 N N . ARG 110 110 ? A 5.650 10.710 10.319 1.000 1 A 92.210 1 ATOM 813 C CA . ARG 110 110 ? A 4.816 11.680 11.020 1.000 1 A 92.210 1 ATOM 814 C C . ARG 110 110 ? A 3.482 11.873 10.307 1.000 1 A 92.210 1 ATOM 815 O O . ARG 110 110 ? A 2.431 11.934 10.949 1.000 1 A 92.210 1 ATOM 816 C CB . ARG 110 110 ? A 5.541 13.021 11.147 1.000 1 A 92.210 1 ATOM 817 C CG . ARG 110 110 ? A 4.807 14.041 12.003 1.000 1 A 92.210 1 ATOM 818 C CD . ARG 110 110 ? A 5.625 15.310 12.195 1.000 1 A 92.210 1 ATOM 819 N NE . ARG 110 110 ? A 5.614 16.145 10.997 1.000 1 A 92.210 1 ATOM 820 C CZ . ARG 110 110 ? A 5.636 17.475 10.999 1.000 1 A 92.210 1 ATOM 821 N NH1 . ARG 110 110 ? A 5.670 18.150 12.142 1.000 1 A 92.210 1 ATOM 822 N NH2 . ARG 110 110 ? A 5.623 18.134 9.850 1.000 1 A 92.210 1 ATOM 823 N N . ASP 111 111 ? A 3.435 11.888 9.038 1.000 1 A 90.632 1 ATOM 824 C CA . ASP 111 111 ? A 2.224 12.087 8.249 1.000 1 A 90.632 1 ATOM 825 C C . ASP 111 111 ? A 1.274 10.900 8.392 1.000 1 A 90.632 1 ATOM 826 O O . ASP 111 111 ? A 0.064 11.082 8.541 1.000 1 A 90.632 1 ATOM 827 C CB . ASP 111 111 ? A 2.573 12.307 6.775 1.000 1 A 90.632 1 ATOM 828 C CG . ASP 111 111 ? A 3.296 13.619 6.527 1.000 1 A 90.632 1 ATOM 829 O OD1 . ASP 111 111 ? A 2.966 14.631 7.182 1.000 1 A 90.632 1 ATOM 830 O OD2 . ASP 111 111 ? A 4.201 13.642 5.665 1.000 1 A 90.632 1 ATOM 831 N N . PHE 112 112 ? A 1.858 9.731 8.458 1.000 1 A 88.898 1 ATOM 832 C CA . PHE 112 112 ? A 1.033 8.536 8.592 1.000 1 A 88.898 1 ATOM 833 C C . PHE 112 112 ? A 0.341 8.505 9.949 1.000 1 A 88.898 1 ATOM 834 O O . PHE 112 112 ? A -0.837 8.153 10.043 1.000 1 A 88.898 1 ATOM 835 C CB . PHE 112 112 ? A 1.879 7.273 8.405 1.000 1 A 88.898 1 ATOM 836 C CG . PHE 112 112 ? A 2.011 6.837 6.971 1.000 1 A 88.898 1 ATOM 837 C CD1 . PHE 112 112 ? A 0.939 6.254 6.306 1.000 1 A 88.898 1 ATOM 838 C CD2 . PHE 112 112 ? A 3.207 7.009 6.287 1.000 1 A 88.898 1 ATOM 839 C CE1 . PHE 112 112 ? A 1.058 5.849 4.978 1.000 1 A 88.898 1 ATOM 840 C CE2 . PHE 112 112 ? A 3.333 6.608 4.960 1.000 1 A 88.898 1 ATOM 841 C CZ . PHE 112 112 ? A 2.258 6.027 4.308 1.000 1 A 88.898 1 ATOM 842 N N . ALA 113 113 ? A 1.105 8.872 11.015 1.000 1 A 87.884 1 ATOM 843 C CA . ALA 113 113 ? A 0.542 8.872 12.363 1.000 1 A 87.884 1 ATOM 844 C C . ALA 113 113 ? A -0.616 9.860 12.474 1.000 1 A 87.884 1 ATOM 845 O O . ALA 113 113 ? A -1.651 9.548 13.067 1.000 1 A 87.884 1 ATOM 846 C CB . ALA 113 113 ? A 1.621 9.205 13.390 1.000 1 A 87.884 1 ATOM 847 N N . GLU 114 114 ? A -0.431 10.943 11.898 1.000 1 A 90.273 1 ATOM 848 C CA . GLU 114 114 ? A -1.445 11.992 11.947 1.000 1 A 90.273 1 ATOM 849 C C . GLU 114 114 ? A -2.662 11.623 11.103 1.000 1 A 90.273 1 ATOM 850 O O . GLU 114 114 ? A -3.801 11.754 11.555 1.000 1 A 90.273 1 ATOM 851 C CB . GLU 114 114 ? A -0.862 13.326 11.474 1.000 1 A 90.273 1 ATOM 852 C CG . GLU 114 114 ? A -1.846 14.485 11.540 1.000 1 A 90.273 1 ATOM 853 C CD . GLU 114 114 ? A -1.248 15.807 11.084 1.000 1 A 90.273 1 ATOM 854 O OE1 . GLU 114 114 ? A -1.986 16.816 11.016 1.000 1 A 90.273 1 ATOM 855 O OE2 . GLU 114 114 ? A -0.031 15.833 10.793 1.000 1 A 90.273 1 ATOM 856 N N . MET 115 115 ? A -2.494 11.121 9.940 1.000 1 A 86.912 1 ATOM 857 C CA . MET 115 115 ? A -3.559 10.867 8.974 1.000 1 A 86.912 1 ATOM 858 C C . MET 115 115 ? A -4.368 9.635 9.367 1.000 1 A 86.912 1 ATOM 859 O O . MET 115 115 ? A -5.591 9.618 9.220 1.000 1 A 86.912 1 ATOM 860 C CB . MET 115 115 ? A -2.981 10.688 7.569 1.000 1 A 86.912 1 ATOM 861 C CG . MET 115 115 ? A -2.464 11.976 6.950 1.000 1 A 86.912 1 ATOM 862 S SD . MET 115 115 ? A -1.956 11.760 5.200 1.000 1 A 86.912 1 ATOM 863 C CE . MET 115 115 ? A -0.414 10.831 5.427 1.000 1 A 86.912 1 ATOM 864 N N . SER 116 116 ? A -3.695 8.624 9.846 1.000 1 A 85.573 1 ATOM 865 C CA . SER 116 116 ? A -4.399 7.407 10.237 1.000 1 A 85.573 1 ATOM 866 C C . SER 116 116 ? A -5.355 7.669 11.395 1.000 1 A 85.573 1 ATOM 867 O O . SER 116 116 ? A -6.421 7.055 11.478 1.000 1 A 85.573 1 ATOM 868 C CB . SER 116 116 ? A -3.403 6.313 10.626 1.000 1 A 85.573 1 ATOM 869 O OG . SER 116 116 ? A -2.668 6.689 11.778 1.000 1 A 85.573 1 ATOM 870 N N . SER 117 117 ? A -5.053 8.570 12.323 1.000 1 A 86.599 1 ATOM 871 C CA . SER 117 117 ? A -5.916 8.890 13.456 1.000 1 A 86.599 1 ATOM 872 C C . SER 117 117 ? A -7.206 9.561 12.997 1.000 1 A 86.599 1 ATOM 873 O O . SER 117 117 ? A -8.236 9.462 13.667 1.000 1 A 86.599 1 ATOM 874 C CB . SER 117 117 ? A -5.185 9.796 14.447 1.000 1 A 86.599 1 ATOM 875 O OG . SER 117 117 ? A -4.931 11.067 13.874 1.000 1 A 86.599 1 ATOM 876 N N . GLN 118 118 ? A -7.161 10.053 11.761 1.000 1 A 86.007 1 ATOM 877 C CA . GLN 118 118 ? A -8.304 10.816 11.269 1.000 1 A 86.007 1 ATOM 878 C C . GLN 118 118 ? A -9.247 9.932 10.458 1.000 1 A 86.007 1 ATOM 879 O O . GLN 118 118 ? A -10.379 10.324 10.169 1.000 1 A 86.007 1 ATOM 880 C CB . GLN 118 118 ? A -7.835 12.000 10.422 1.000 1 A 86.007 1 ATOM 881 C CG . GLN 118 118 ? A -7.073 13.056 11.210 1.000 1 A 86.007 1 ATOM 882 C CD . GLN 118 118 ? A -6.503 14.150 10.326 1.000 1 A 86.007 1 ATOM 883 O OE1 . GLN 118 118 ? A -6.831 14.241 9.138 1.000 1 A 86.007 1 ATOM 884 N NE2 . GLN 118 118 ? A -5.646 14.989 10.898 1.000 1 A 86.007 1 ATOM 885 N N . LEU 119 119 ? A -8.864 8.693 10.008 1.000 1 A 85.755 1 ATOM 886 C CA . LEU 119 119 ? A -9.597 7.821 9.097 1.000 1 A 85.755 1 ATOM 887 C C . LEU 119 119 ? A -10.751 7.131 9.816 1.000 1 A 85.755 1 ATOM 888 O O . LEU 119 119 ? A -11.774 6.820 9.201 1.000 1 A 85.755 1 ATOM 889 C CB . LEU 119 119 ? A -8.661 6.774 8.487 1.000 1 A 85.755 1 ATOM 890 C CG . LEU 119 119 ? A -7.871 7.209 7.251 1.000 1 A 85.755 1 ATOM 891 C CD1 . LEU 119 119 ? A -6.721 6.241 6.991 1.000 1 A 85.755 1 ATOM 892 C CD2 . LEU 119 119 ? A -8.787 7.299 6.035 1.000 1 A 85.755 1 ATOM 893 N N . HIS 120 120 ? A -11.125 7.535 11.113 1.000 1 A 84.455 1 ATOM 894 C CA . HIS 120 120 ? A -12.221 6.962 11.885 1.000 1 A 84.455 1 ATOM 895 C C . HIS 120 120 ? A -12.623 5.595 11.341 1.000 1 A 84.455 1 ATOM 896 O O . HIS 120 120 ? A -13.764 5.402 10.916 1.000 1 A 84.455 1 ATOM 897 C CB . HIS 120 120 ? A -13.427 7.903 11.884 1.000 1 A 84.455 1 ATOM 898 C CG . HIS 120 120 ? A -13.164 9.217 12.546 1.000 1 A 84.455 1 ATOM 899 N ND1 . HIS 120 120 ? A -13.115 9.364 13.916 1.000 1 A 84.455 1 ATOM 900 C CD2 . HIS 120 120 ? A -12.931 10.445 12.025 1.000 1 A 84.455 1 ATOM 901 C CE1 . HIS 120 120 ? A -12.864 10.629 14.208 1.000 1 A 84.455 1 ATOM 902 N NE2 . HIS 120 120 ? A -12.748 11.306 13.079 1.000 1 A 84.455 1 ATOM 903 N N . LEU 121 121 ? A -11.795 4.652 11.419 1.000 1 A 88.085 1 ATOM 904 C CA . LEU 121 121 ? A -12.019 3.319 10.872 1.000 1 A 88.085 1 ATOM 905 C C . LEU 121 121 ? A -13.005 2.536 11.733 1.000 1 A 88.085 1 ATOM 906 O O . LEU 121 121 ? A -12.806 2.397 12.942 1.000 1 A 88.085 1 ATOM 907 C CB . LEU 121 121 ? A -10.697 2.554 10.766 1.000 1 A 88.085 1 ATOM 908 C CG . LEU 121 121 ? A -10.723 1.266 9.941 1.000 1 A 88.085 1 ATOM 909 C CD1 . LEU 121 121 ? A -10.959 1.584 8.469 1.000 1 A 88.085 1 ATOM 910 C CD2 . LEU 121 121 ? A -9.425 0.487 10.124 1.000 1 A 88.085 1 ATOM 911 N N . THR 122 122 ? A -14.176 2.181 11.140 1.000 1 A 89.388 1 ATOM 912 C CA . THR 122 122 ? A -15.180 1.256 11.655 1.000 1 A 89.388 1 ATOM 913 C C . THR 122 122 ? A -15.446 0.135 10.655 1.000 1 A 89.388 1 ATOM 914 O O . THR 122 122 ? A -15.093 0.249 9.479 1.000 1 A 89.388 1 ATOM 915 C CB . THR 122 122 ? A -16.498 1.984 11.977 1.000 1 A 89.388 1 ATOM 916 O OG1 . THR 122 122 ? A -17.123 2.391 10.753 1.000 1 A 89.388 1 ATOM 917 C CG2 . THR 122 122 ? A -16.249 3.216 12.841 1.000 1 A 89.388 1 ATOM 918 N N . PRO 123 123 ? A -15.867 -1.045 11.143 1.000 1 A 89.947 1 ATOM 919 C CA . PRO 123 123 ? A -16.146 -2.147 10.219 1.000 1 A 89.947 1 ATOM 920 C C . PRO 123 123 ? A -17.090 -1.743 9.089 1.000 1 A 89.947 1 ATOM 921 O O . PRO 123 123 ? A -16.962 -2.238 7.966 1.000 1 A 89.947 1 ATOM 922 C CB . PRO 123 123 ? A -16.792 -3.205 11.117 1.000 1 A 89.947 1 ATOM 923 C CG . PRO 123 123 ? A -16.223 -2.951 12.476 1.000 1 A 89.947 1 ATOM 924 C CD . PRO 123 123 ? A -16.042 -1.470 12.648 1.000 1 A 89.947 1 ATOM 925 N N . PHE 124 124 ? A -17.965 -0.764 9.290 1.000 1 A 90.453 1 ATOM 926 C CA . PHE 124 124 ? A -18.967 -0.398 8.297 1.000 1 A 90.453 1 ATOM 927 C C . PHE 124 124 ? A -18.423 0.657 7.342 1.000 1 A 90.453 1 ATOM 928 O O . PHE 124 124 ? A -18.821 0.712 6.176 1.000 1 A 90.453 1 ATOM 929 C CB . PHE 124 124 ? A -20.239 0.116 8.979 1.000 1 A 90.453 1 ATOM 930 C CG . PHE 124 124 ? A -20.968 -0.932 9.774 1.000 1 A 90.453 1 ATOM 931 C CD1 . PHE 124 124 ? A -21.735 -1.900 9.136 1.000 1 A 90.453 1 ATOM 932 C CD2 . PHE 124 124 ? A -20.887 -0.951 11.160 1.000 1 A 90.453 1 ATOM 933 C CE1 . PHE 124 124 ? A -22.411 -2.872 9.870 1.000 1 A 90.453 1 ATOM 934 C CE2 . PHE 124 124 ? A -21.559 -1.919 11.900 1.000 1 A 90.453 1 ATOM 935 C CZ . PHE 124 124 ? A -22.322 -2.878 11.253 1.000 1 A 90.453 1 ATOM 936 N N . THR 125 125 ? A -17.534 1.456 7.824 1.000 1 A 90.196 1 ATOM 937 C CA . THR 125 125 ? A -17.053 2.559 6.999 1.000 1 A 90.196 1 ATOM 938 C C . THR 125 125 ? A -15.717 2.207 6.350 1.000 1 A 90.196 1 ATOM 939 O O . THR 125 125 ? A -15.250 2.916 5.456 1.000 1 A 90.196 1 ATOM 940 C CB . THR 125 125 ? A -16.902 3.850 7.825 1.000 1 A 90.196 1 ATOM 941 O OG1 . THR 125 125 ? A -15.977 3.620 8.894 1.000 1 A 90.196 1 ATOM 942 C CG2 . THR 125 125 ? A -18.241 4.287 8.411 1.000 1 A 90.196 1 ATOM 943 N N . ALA 126 126 ? A -15.051 1.174 6.753 1.000 1 A 92.306 1 ATOM 944 C CA . ALA 126 126 ? A -13.687 0.828 6.362 1.000 1 A 92.306 1 ATOM 945 C C . ALA 126 126 ? A -13.575 0.669 4.848 1.000 1 A 92.306 1 ATOM 946 O O . ALA 126 126 ? A -12.648 1.197 4.229 1.000 1 A 92.306 1 ATOM 947 C CB . ALA 126 126 ? A -13.240 -0.452 7.063 1.000 1 A 92.306 1 ATOM 948 N N . ARG 127 127 ? A -14.528 0.019 4.295 1.000 1 A 92.615 1 ATOM 949 C CA . ARG 127 127 ? A -14.500 -0.220 2.855 1.000 1 A 92.615 1 ATOM 950 C C . ARG 127 127 ? A -14.612 1.089 2.081 1.000 1 A 92.615 1 ATOM 951 O O . ARG 127 127 ? A -13.860 1.321 1.132 1.000 1 A 92.615 1 ATOM 952 C CB . ARG 127 127 ? A -15.627 -1.170 2.445 1.000 1 A 92.615 1 ATOM 953 C CG . ARG 127 127 ? A -15.632 -1.517 0.965 1.000 1 A 92.615 1 ATOM 954 C CD . ARG 127 127 ? A -16.704 -2.545 0.630 1.000 1 A 92.615 1 ATOM 955 N NE . ARG 127 127 ? A -16.785 -2.790 -0.807 1.000 1 A 92.615 1 ATOM 956 C CZ . ARG 127 127 ? A -16.356 -3.893 -1.414 1.000 1 A 92.615 1 ATOM 957 N NH1 . ARG 127 127 ? A -15.803 -4.879 -0.716 1.000 1 A 92.615 1 ATOM 958 N NH2 . ARG 127 127 ? A -16.480 -4.012 -2.728 1.000 1 A 92.615 1 ATOM 959 N N . GLY 128 128 ? A -15.589 1.876 2.410 1.000 1 A 92.292 1 ATOM 960 C CA . GLY 128 128 ? A -15.765 3.162 1.756 1.000 1 A 92.292 1 ATOM 961 C C . GLY 128 128 ? A -14.552 4.065 1.878 1.000 1 A 92.292 1 ATOM 962 O O . GLY 128 128 ? A -14.132 4.684 0.898 1.000 1 A 92.292 1 ATOM 963 N N . ARG 129 129 ? A -13.936 3.989 3.054 1.000 1 A 92.348 1 ATOM 964 C CA . ARG 129 129 ? A -12.767 4.834 3.274 1.000 1 A 92.348 1 ATOM 965 C C . ARG 129 129 ? A -11.569 4.329 2.477 1.000 1 A 92.348 1 ATOM 966 O O . ARG 129 129 ? A -10.804 5.124 1.926 1.000 1 A 92.348 1 ATOM 967 C CB . ARG 129 129 ? A -12.419 4.895 4.763 1.000 1 A 92.348 1 ATOM 968 C CG . ARG 129 129 ? A -13.496 5.538 5.621 1.000 1 A 92.348 1 ATOM 969 C CD . ARG 129 129 ? A -13.676 7.013 5.290 1.000 1 A 92.348 1 ATOM 970 N NE . ARG 129 129 ? A -14.667 7.644 6.157 1.000 1 A 92.348 1 ATOM 971 C CZ . ARG 129 129 ? A -15.083 8.902 6.043 1.000 1 A 92.348 1 ATOM 972 N NH1 . ARG 129 129 ? A -14.600 9.692 5.091 1.000 1 A 92.348 1 ATOM 973 N NH2 . ARG 129 129 ? A -15.989 9.374 6.887 1.000 1 A 92.348 1 ATOM 974 N N . PHE 130 130 ? A -11.443 3.070 2.502 1.000 1 A 94.624 1 ATOM 975 C CA . PHE 130 130 ? A -10.400 2.450 1.692 1.000 1 A 94.624 1 ATOM 976 C C . PHE 130 130 ? A -10.524 2.874 0.233 1.000 1 A 94.624 1 ATOM 977 O O . PHE 130 130 ? A -9.552 3.335 -0.369 1.000 1 A 94.624 1 ATOM 978 C CB . PHE 130 130 ? A -10.469 0.923 1.802 1.000 1 A 94.624 1 ATOM 979 C CG . PHE 130 130 ? A -9.484 0.206 0.919 1.000 1 A 94.624 1 ATOM 980 C CD1 . PHE 130 130 ? A -9.847 -0.214 -0.354 1.000 1 A 94.624 1 ATOM 981 C CD2 . PHE 130 130 ? A -8.192 -0.048 1.364 1.000 1 A 94.624 1 ATOM 982 C CE1 . PHE 130 130 ? A -8.937 -0.878 -1.174 1.000 1 A 94.624 1 ATOM 983 C CE2 . PHE 130 130 ? A -7.277 -0.711 0.551 1.000 1 A 94.624 1 ATOM 984 C CZ . PHE 130 130 ? A -7.652 -1.126 -0.717 1.000 1 A 94.624 1 ATOM 985 N N . ALA 131 131 ? A -11.671 2.771 -0.297 1.000 1 A 94.288 1 ATOM 986 C CA . ALA 131 131 ? A -11.927 3.070 -1.704 1.000 1 A 94.288 1 ATOM 987 C C . ALA 131 131 ? A -11.655 4.539 -2.011 1.000 1 A 94.288 1 ATOM 988 O O . ALA 131 131 ? A -11.044 4.863 -3.033 1.000 1 A 94.288 1 ATOM 989 C CB . ALA 131 131 ? A -13.365 2.710 -2.070 1.000 1 A 94.288 1 ATOM 990 N N . THR 132 132 ? A -12.097 5.405 -1.185 1.000 1 A 94.216 1 ATOM 991 C CA . THR 132 132 ? A -11.932 6.839 -1.397 1.000 1 A 94.216 1 ATOM 992 C C . THR 132 132 ? A -10.454 7.217 -1.412 1.000 1 A 94.216 1 ATOM 993 O O . THR 132 132 ? A -10.009 7.970 -2.280 1.000 1 A 94.216 1 ATOM 994 C CB . THR 132 132 ? A -12.662 7.651 -0.311 1.000 1 A 94.216 1 ATOM 995 O OG1 . THR 132 132 ? A -14.060 7.343 -0.351 1.000 1 A 94.216 1 ATOM 996 C CG2 . THR 132 132 ? A -12.477 9.149 -0.529 1.000 1 A 94.216 1 ATOM 997 N N . VAL 133 133 ? A -9.715 6.658 -0.478 1.000 1 A 95.396 1 ATOM 998 C CA . VAL 133 133 ? A -8.293 6.974 -0.399 1.000 1 A 95.396 1 ATOM 999 C C . VAL 133 133 ? A -7.580 6.465 -1.650 1.000 1 A 95.396 1 ATOM 1000 O O . VAL 133 133 ? A -6.800 7.194 -2.267 1.000 1 A 95.396 1 ATOM 1001 C CB . VAL 133 133 ? A -7.647 6.367 0.867 1.000 1 A 95.396 1 ATOM 1002 C CG1 . VAL 133 133 ? A -6.127 6.518 0.822 1.000 1 A 95.396 1 ATOM 1003 C CG2 . VAL 133 133 ? A -8.216 7.024 2.123 1.000 1 A 95.396 1 ATOM 1004 N N . VAL 134 134 ? A -7.834 5.245 -2.058 1.000 1 A 96.029 1 ATOM 1005 C CA . VAL 134 134 ? A -7.138 4.608 -3.171 1.000 1 A 96.029 1 ATOM 1006 C C . VAL 134 134 ? A -7.520 5.293 -4.481 1.000 1 A 96.029 1 ATOM 1007 O O . VAL 134 134 ? A -6.675 5.486 -5.357 1.000 1 A 96.029 1 ATOM 1008 C CB . VAL 134 134 ? A -7.455 3.097 -3.247 1.000 1 A 96.029 1 ATOM 1009 C CG1 . VAL 134 134 ? A -6.920 2.498 -4.547 1.000 1 A 96.029 1 ATOM 1010 C CG2 . VAL 134 134 ? A -6.871 2.368 -2.039 1.000 1 A 96.029 1 ATOM 1011 N N . GLU 135 135 ? A -8.734 5.786 -4.582 1.000 1 A 95.038 1 ATOM 1012 C CA . GLU 135 135 ? A -9.159 6.513 -5.774 1.000 1 A 95.038 1 ATOM 1013 C C . GLU 135 135 ? A -8.400 7.829 -5.918 1.000 1 A 95.038 1 ATOM 1014 O O . GLU 135 135 ? A -8.021 8.215 -7.026 1.000 1 A 95.038 1 ATOM 1015 C CB . GLU 135 135 ? A -10.667 6.777 -5.734 1.000 1 A 95.038 1 ATOM 1016 C CG . GLU 135 135 ? A -11.515 5.546 -6.018 1.000 1 A 95.038 1 ATOM 1017 C CD . GLU 135 135 ? A -13.009 5.816 -5.943 1.000 1 A 95.038 1 ATOM 1018 O OE1 . GLU 135 135 ? A -13.807 4.866 -6.111 1.000 1 A 95.038 1 ATOM 1019 O OE2 . GLU 135 135 ? A -13.385 6.987 -5.714 1.000 1 A 95.038 1 ATOM 1020 N N . GLU 136 136 ? A -8.303 8.355 -4.730 1.000 1 A 95.749 1 ATOM 1021 C CA . GLU 136 136 ? A -7.554 9.607 -4.748 1.000 1 A 95.749 1 ATOM 1022 C C . GLU 136 136 ? A -6.069 9.359 -4.996 1.000 1 A 95.749 1 ATOM 1023 O O . GLU 136 136 ? A -5.415 10.130 -5.701 1.000 1 A 95.749 1 ATOM 1024 C CB . GLU 136 136 ? A -7.748 10.368 -3.433 1.000 1 A 95.749 1 ATOM 1025 C CG . GLU 136 136 ? A -7.152 11.768 -3.439 1.000 1 A 95.749 1 ATOM 1026 C CD . GLU 136 136 ? A -7.792 12.688 -4.467 1.000 1 A 95.749 1 ATOM 1027 O OE1 . GLU 136 136 ? A -7.184 13.726 -4.815 1.000 1 A 95.749 1 ATOM 1028 O OE2 . GLU 136 136 ? A -8.910 12.369 -4.928 1.000 1 A 95.749 1 ATOM 1029 N N . LEU 137 137 ? A -5.575 8.310 -4.543 1.000 1 A 96.403 1 ATOM 1030 C CA . LEU 137 137 ? A -4.165 7.965 -4.690 1.000 1 A 96.403 1 ATOM 1031 C C . LEU 137 137 ? A -3.808 7.753 -6.157 1.000 1 A 96.403 1 ATOM 1032 O O . LEU 137 137 ? A -2.763 8.218 -6.620 1.000 1 A 96.403 1 ATOM 1033 C CB . LEU 137 137 ? A -3.834 6.705 -3.885 1.000 1 A 96.403 1 ATOM 1034 C CG . LEU 137 137 ? A -2.403 6.180 -4.006 1.000 1 A 96.403 1 ATOM 1035 C CD1 . LEU 137 137 ? A -1.409 7.237 -3.534 1.000 1 A 96.403 1 ATOM 1036 C CD2 . LEU 137 137 ? A -2.238 4.890 -3.209 1.000 1 A 96.403 1 ATOM 1037 N N . PHE 138 138 ? A -4.706 7.224 -6.959 1.000 1 A 96.577 1 ATOM 1038 C CA . PHE 138 138 ? A -4.394 6.871 -8.339 1.000 1 A 96.577 1 ATOM 1039 C C . PHE 138 138 ? A -5.169 7.752 -9.311 1.000 1 A 96.577 1 ATOM 1040 O O . PHE 138 138 ? A -5.346 7.393 -10.477 1.000 1 A 96.577 1 ATOM 1041 C CB . PHE 138 138 ? A -4.708 5.395 -8.603 1.000 1 A 96.577 1 ATOM 1042 C CG . PHE 138 138 ? A -3.810 4.442 -7.862 1.000 1 A 96.577 1 ATOM 1043 C CD1 . PHE 138 138 ? A -2.476 4.299 -8.222 1.000 1 A 96.577 1 ATOM 1044 C CD2 . PHE 138 138 ? A -4.301 3.688 -6.804 1.000 1 A 96.577 1 ATOM 1045 C CE1 . PHE 138 138 ? A -1.642 3.417 -7.538 1.000 1 A 96.577 1 ATOM 1046 C CE2 . PHE 138 138 ? A -3.474 2.804 -6.115 1.000 1 A 96.577 1 ATOM 1047 C CZ . PHE 138 138 ? A -2.145 2.670 -6.485 1.000 1 A 96.577 1 ATOM 1048 N N . ARG 139 139 ? A -5.680 8.852 -8.858 1.000 1 A 94.938 1 ATOM 1049 C CA . ARG 139 139 ? A -6.513 9.742 -9.660 1.000 1 A 94.938 1 ATOM 1050 C C . ARG 139 139 ? A -5.763 10.228 -10.896 1.000 1 A 94.938 1 ATOM 1051 O O . ARG 139 139 ? A -6.334 10.301 -11.986 1.000 1 A 94.938 1 ATOM 1052 C CB . ARG 139 139 ? A -6.981 10.937 -8.827 1.000 1 A 94.938 1 ATOM 1053 C CG . ARG 139 139 ? A -7.945 11.858 -9.557 1.000 1 A 94.938 1 ATOM 1054 C CD . ARG 139 139 ? A -8.376 13.029 -8.686 1.000 1 A 94.938 1 ATOM 1055 N NE . ARG 139 139 ? A -9.276 13.930 -9.401 1.000 1 A 94.938 1 ATOM 1056 C CZ . ARG 139 139 ? A -9.778 15.055 -8.899 1.000 1 A 94.938 1 ATOM 1057 N NH1 . ARG 139 139 ? A -9.477 15.440 -7.664 1.000 1 A 94.938 1 ATOM 1058 N NH2 . ARG 139 139 ? A -10.587 15.801 -9.637 1.000 1 A 94.938 1 ATOM 1059 N N . ASP 140 140 ? A -4.433 10.468 -10.830 1.000 1 A 93.832 1 ATOM 1060 C CA . ASP 140 140 ? A -3.654 11.075 -11.905 1.000 1 A 93.832 1 ATOM 1061 C C . ASP 140 140 ? A -2.794 10.032 -12.615 1.000 1 A 93.832 1 ATOM 1062 O O . ASP 140 140 ? A -1.989 10.371 -13.485 1.000 1 A 93.832 1 ATOM 1063 C CB . ASP 140 140 ? A -2.772 12.200 -11.360 1.000 1 A 93.832 1 ATOM 1064 C CG . ASP 140 140 ? A -3.573 13.363 -10.801 1.000 1 A 93.832 1 ATOM 1065 O OD1 . ASP 140 140 ? A -4.728 13.572 -11.233 1.000 1 A 93.832 1 ATOM 1066 O OD2 . ASP 140 140 ? A -3.044 14.079 -9.923 1.000 1 A 93.832 1 ATOM 1067 N N . GLY 141 141 ? A -2.949 8.875 -12.252 1.000 1 A 94.088 1 ATOM 1068 C CA . GLY 141 141 ? A -2.164 7.832 -12.893 1.000 1 A 94.088 1 ATOM 1069 C C . GLY 141 141 ? A -1.429 6.946 -11.905 1.000 1 A 94.088 1 ATOM 1070 O O . GLY 141 141 ? A -1.498 7.167 -10.695 1.000 1 A 94.088 1 ATOM 1071 N N . VAL 142 142 ? A -0.906 5.845 -12.503 1.000 1 A 95.760 1 ATOM 1072 C CA . VAL 142 142 ? A -0.235 4.840 -11.686 1.000 1 A 95.760 1 ATOM 1073 C C . VAL 142 142 ? A 1.276 4.936 -11.886 1.000 1 A 95.760 1 ATOM 1074 O O . VAL 142 142 ? A 1.749 5.125 -13.009 1.000 1 A 95.760 1 ATOM 1075 C CB . VAL 142 142 ? A -0.728 3.415 -12.021 1.000 1 A 95.760 1 ATOM 1076 C CG1 . VAL 142 142 ? A -0.056 2.384 -11.115 1.000 1 A 95.760 1 ATOM 1077 C CG2 . VAL 142 142 ? A -2.248 3.333 -11.893 1.000 1 A 95.760 1 ATOM 1078 N N . ASN 143 143 ? A 2.011 4.986 -10.847 1.000 1 A 95.100 1 ATOM 1079 C CA . ASN 143 143 ? A 3.462 4.836 -10.827 1.000 1 A 95.100 1 ATOM 1080 C C . ASN 143 143 ? A 3.918 3.940 -9.680 1.000 1 A 95.100 1 ATOM 1081 O O . ASN 143 143 ? A 3.112 3.552 -8.832 1.000 1 A 95.100 1 ATOM 1082 C CB . ASN 143 143 ? A 4.142 6.204 -10.735 1.000 1 A 95.100 1 ATOM 1083 C CG . ASN 143 143 ? A 3.812 6.935 -9.448 1.000 1 A 95.100 1 ATOM 1084 O OD1 . ASN 143 143 ? A 3.955 6.384 -8.353 1.000 1 A 95.100 1 ATOM 1085 N ND2 . ASN 143 143 ? A 3.370 8.181 -9.570 1.000 1 A 95.100 1 ATOM 1086 N N . TRP 144 144 ? A 5.182 3.469 -9.732 1.000 1 A 95.717 1 ATOM 1087 C CA . TRP 144 144 ? A 5.666 2.511 -8.744 1.000 1 A 95.717 1 ATOM 1088 C C . TRP 144 144 ? A 5.601 3.098 -7.338 1.000 1 A 95.717 1 ATOM 1089 O O . TRP 144 144 ? A 5.309 2.387 -6.374 1.000 1 A 95.717 1 ATOM 1090 C CB . TRP 144 144 ? A 7.101 2.083 -9.066 1.000 1 A 95.717 1 ATOM 1091 C CG . TRP 144 144 ? A 7.208 1.134 -10.221 1.000 1 A 95.717 1 ATOM 1092 C CD1 . TRP 144 144 ? A 7.891 1.331 -11.389 1.000 1 A 95.717 1 ATOM 1093 C CD2 . TRP 144 144 ? A 6.608 -0.162 -10.321 1.000 1 A 95.717 1 ATOM 1094 N NE1 . TRP 144 144 ? A 7.753 0.235 -12.209 1.000 1 A 95.717 1 ATOM 1095 C CE2 . TRP 144 144 ? A 6.971 -0.694 -11.578 1.000 1 A 95.717 1 ATOM 1096 C CE3 . TRP 144 144 ? A 5.800 -0.925 -9.468 1.000 1 A 95.717 1 ATOM 1097 C CZ2 . TRP 144 144 ? A 6.552 -1.958 -12.002 1.000 1 A 95.717 1 ATOM 1098 C CZ3 . TRP 144 144 ? A 5.383 -2.181 -9.893 1.000 1 A 95.717 1 ATOM 1099 C CH2 . TRP 144 144 ? A 5.761 -2.683 -11.149 1.000 1 A 95.717 1 ATOM 1100 N N . GLY 145 145 ? A 5.937 4.393 -7.162 1.000 1 A 96.117 1 ATOM 1101 C CA . GLY 145 145 ? A 5.820 5.051 -5.871 1.000 1 A 96.117 1 ATOM 1102 C C . GLY 145 145 ? A 4.419 4.986 -5.293 1.000 1 A 96.117 1 ATOM 1103 O O . GLY 145 145 ? A 4.245 4.732 -4.099 1.000 1 A 96.117 1 ATOM 1104 N N . ARG 146 146 ? A 3.474 5.104 -6.061 1.000 1 A 97.548 1 ATOM 1105 C CA . ARG 146 146 ? A 2.084 5.064 -5.619 1.000 1 A 97.548 1 ATOM 1106 C C . ARG 146 146 ? A 1.671 3.646 -5.239 1.000 1 A 97.548 1 ATOM 1107 O O . ARG 146 146 ? A 0.888 3.450 -4.307 1.000 1 A 97.548 1 ATOM 1108 C CB . ARG 146 146 ? A 1.157 5.605 -6.709 1.000 1 A 97.548 1 ATOM 1109 C CG . ARG 146 146 ? A 1.295 7.100 -6.949 1.000 1 A 97.548 1 ATOM 1110 C CD . ARG 146 146 ? A 0.312 7.596 -8.000 1.000 1 A 97.548 1 ATOM 1111 N NE . ARG 146 146 ? A 0.512 9.011 -8.300 1.000 1 A 97.548 1 ATOM 1112 C CZ . ARG 146 146 ? A -0.261 9.732 -9.107 1.000 1 A 97.548 1 ATOM 1113 N NH1 . ARG 146 146 ? A -1.307 9.181 -9.713 1.000 1 A 97.548 1 ATOM 1114 N NH2 . ARG 146 146 ? A 0.012 11.012 -9.310 1.000 1 A 97.548 1 ATOM 1115 N N . ILE 147 147 ? A 2.155 2.723 -5.997 1.000 1 A 97.739 1 ATOM 1116 C CA . ILE 147 147 ? A 1.899 1.326 -5.667 1.000 1 A 97.739 1 ATOM 1117 C C . ILE 147 147 ? A 2.492 1.001 -4.298 1.000 1 A 97.739 1 ATOM 1118 O O . ILE 147 147 ? A 1.850 0.342 -3.477 1.000 1 A 97.739 1 ATOM 1119 C CB . ILE 147 147 ? A 2.477 0.376 -6.740 1.000 1 A 97.739 1 ATOM 1120 C CG1 . ILE 147 147 ? A 1.731 0.553 -8.068 1.000 1 A 97.739 1 ATOM 1121 C CG2 . ILE 147 147 ? A 2.413 -1.078 -6.266 1.000 1 A 97.739 1 ATOM 1122 C CD1 . ILE 147 147 ? A 2.311 -0.260 -9.217 1.000 1 A 97.739 1 ATOM 1123 N N . VAL 148 148 ? A 3.685 1.493 -4.040 1.000 1 A 97.528 1 ATOM 1124 C CA . VAL 148 148 ? A 4.300 1.314 -2.729 1.000 1 A 97.528 1 ATOM 1125 C C . VAL 148 148 ? A 3.432 1.968 -1.656 1.000 1 A 97.528 1 ATOM 1126 O O . VAL 148 148 ? A 3.192 1.380 -0.599 1.000 1 A 97.528 1 ATOM 1127 C CB . VAL 148 148 ? A 5.729 1.899 -2.687 1.000 1 A 97.528 1 ATOM 1128 C CG1 . VAL 148 148 ? A 6.272 1.899 -1.259 1.000 1 A 97.528 1 ATOM 1129 C CG2 . VAL 148 148 ? A 6.655 1.112 -3.614 1.000 1 A 97.528 1 ATOM 1130 N N . ALA 149 149 ? A 2.994 3.170 -1.915 1.000 1 A 97.598 1 ATOM 1131 C CA . ALA 149 149 ? A 2.124 3.878 -0.980 1.000 1 A 97.598 1 ATOM 1132 C C . ALA 149 149 ? A 0.834 3.100 -0.734 1.000 1 A 97.598 1 ATOM 1133 O O . ALA 149 149 ? A 0.321 3.074 0.387 1.000 1 A 97.598 1 ATOM 1134 C CB . ALA 149 149 ? A 1.806 5.277 -1.502 1.000 1 A 97.598 1 ATOM 1135 N N . PHE 150 150 ? A 0.304 2.524 -1.775 1.000 1 A 98.248 1 ATOM 1136 C CA . PHE 150 150 ? A -0.885 1.686 -1.680 1.000 1 A 98.248 1 ATOM 1137 C C . PHE 150 150 ? A -0.678 0.563 -0.671 1.000 1 A 98.248 1 ATOM 1138 O O . PHE 150 150 ? A -1.526 0.335 0.194 1.000 1 A 98.248 1 ATOM 1139 C CB . PHE 150 150 ? A -1.244 1.102 -3.050 1.000 1 A 98.248 1 ATOM 1140 C CG . PHE 150 150 ? A -2.307 0.038 -2.996 1.000 1 A 98.248 1 ATOM 1141 C CD1 . PHE 150 150 ? A -1.989 -1.295 -3.228 1.000 1 A 98.248 1 ATOM 1142 C CD2 . PHE 150 150 ? A -3.625 0.371 -2.714 1.000 1 A 98.248 1 ATOM 1143 C CE1 . PHE 150 150 ? A -2.971 -2.282 -3.179 1.000 1 A 98.248 1 ATOM 1144 C CE2 . PHE 150 150 ? A -4.612 -0.610 -2.664 1.000 1 A 98.248 1 ATOM 1145 C CZ . PHE 150 150 ? A -4.283 -1.935 -2.898 1.000 1 A 98.248 1 ATOM 1146 N N . PHE 151 151 ? A 0.451 -0.121 -0.793 1.000 1 A 98.263 1 ATOM 1147 C CA . PHE 151 151 ? A 0.748 -1.208 0.132 1.000 1 A 98.263 1 ATOM 1148 C C . PHE 151 151 ? A 0.937 -0.678 1.548 1.000 1 A 98.263 1 ATOM 1149 O O . PHE 151 151 ? A 0.466 -1.286 2.512 1.000 1 A 98.263 1 ATOM 1150 C CB . PHE 151 151 ? A 2.000 -1.969 -0.315 1.000 1 A 98.263 1 ATOM 1151 C CG . PHE 151 151 ? A 1.723 -3.062 -1.312 1.000 1 A 98.263 1 ATOM 1152 C CD1 . PHE 151 151 ? A 1.374 -4.338 -0.887 1.000 1 A 98.263 1 ATOM 1153 C CD2 . PHE 151 151 ? A 1.812 -2.813 -2.676 1.000 1 A 98.263 1 ATOM 1154 C CE1 . PHE 151 151 ? A 1.117 -5.351 -1.808 1.000 1 A 98.263 1 ATOM 1155 C CE2 . PHE 151 151 ? A 1.556 -3.820 -3.602 1.000 1 A 98.263 1 ATOM 1156 C CZ . PHE 151 151 ? A 1.210 -5.089 -3.166 1.000 1 A 98.263 1 ATOM 1157 N N . GLU 152 152 ? A 1.556 0.411 1.646 1.000 1 A 97.612 1 ATOM 1158 C CA . GLU 152 152 ? A 1.777 1.007 2.961 1.000 1 A 97.612 1 ATOM 1159 C C . GLU 152 152 ? A 0.459 1.430 3.603 1.000 1 A 97.612 1 ATOM 1160 O O . GLU 152 152 ? A 0.252 1.225 4.801 1.000 1 A 97.612 1 ATOM 1161 C CB . GLU 152 152 ? A 2.720 2.208 2.855 1.000 1 A 97.612 1 ATOM 1162 C CG . GLU 152 152 ? A 4.172 1.829 2.604 1.000 1 A 97.612 1 ATOM 1163 C CD . GLU 152 152 ? A 4.761 0.952 3.698 1.000 1 A 97.612 1 ATOM 1164 O OE1 . GLU 152 152 ? A 5.397 -0.077 3.375 1.000 1 A 97.612 1 ATOM 1165 O OE2 . GLU 152 152 ? A 4.585 1.297 4.888 1.000 1 A 97.612 1 ATOM 1166 N N . PHE 153 153 ? A -0.328 2.044 2.847 1.000 1 A 97.073 1 ATOM 1167 C CA . PHE 153 153 ? A -1.650 2.423 3.332 1.000 1 A 97.073 1 ATOM 1168 C C . PHE 153 153 ? A -2.420 1.201 3.816 1.000 1 A 97.073 1 ATOM 1169 O O . PHE 153 153 ? A -3.000 1.217 4.904 1.000 1 A 97.073 1 ATOM 1170 C CB . PHE 153 153 ? A -2.442 3.141 2.234 1.000 1 A 97.073 1 ATOM 1171 C CG . PHE 153 153 ? A -3.904 3.306 2.549 1.000 1 A 97.073 1 ATOM 1172 C CD1 . PHE 153 153 ? A -4.872 2.685 1.770 1.000 1 A 97.073 1 ATOM 1173 C CD2 . PHE 153 153 ? A -4.311 4.084 3.626 1.000 1 A 97.073 1 ATOM 1174 C CE1 . PHE 153 153 ? A -6.226 2.835 2.059 1.000 1 A 97.073 1 ATOM 1175 C CE2 . PHE 153 153 ? A -5.662 4.239 3.921 1.000 1 A 97.073 1 ATOM 1176 C CZ . PHE 153 153 ? A -6.618 3.615 3.136 1.000 1 A 97.073 1 ATOM 1177 N N . GLY 154 154 ? A -2.481 0.177 3.030 1.000 1 A 96.962 1 ATOM 1178 C CA . GLY 154 154 ? A -3.123 -1.066 3.426 1.000 1 A 96.962 1 ATOM 1179 C C . GLY 154 154 ? A -2.550 -1.655 4.701 1.000 1 A 96.962 1 ATOM 1180 O O . GLY 154 154 ? A -3.296 -2.110 5.570 1.000 1 A 96.962 1 ATOM 1181 N N . GLY 155 155 ? A -1.220 -1.669 4.823 1.000 1 A 96.374 1 ATOM 1182 C CA . GLY 155 155 ? A -0.558 -2.125 6.034 1.000 1 A 96.374 1 ATOM 1183 C C . GLY 155 155 ? A -0.959 -1.337 7.267 1.000 1 A 96.374 1 ATOM 1184 O O . GLY 155 155 ? A -1.229 -1.917 8.320 1.000 1 A 96.374 1 ATOM 1185 N N . VAL 156 156 ? A -1.045 -0.048 7.098 1.000 1 A 94.684 1 ATOM 1186 C CA . VAL 156 156 ? A -1.420 0.841 8.193 1.000 1 A 94.684 1 ATOM 1187 C C . VAL 156 156 ? A -2.863 0.566 8.611 1.000 1 A 94.684 1 ATOM 1188 O O . VAL 156 156 ? A -3.170 0.506 9.804 1.000 1 A 94.684 1 ATOM 1189 C CB . VAL 156 156 ? A -1.252 2.326 7.801 1.000 1 A 94.684 1 ATOM 1190 C CG1 . VAL 156 156 ? A -1.933 3.234 8.823 1.000 1 A 94.684 1 ATOM 1191 C CG2 . VAL 156 156 ? A 0.229 2.678 7.672 1.000 1 A 94.684 1 ATOM 1192 N N . MET 157 157 ? A -3.704 0.338 7.661 1.000 1 A 94.943 1 ATOM 1193 C CA . MET 157 157 ? A -5.102 0.041 7.958 1.000 1 A 94.943 1 ATOM 1194 C C . MET 157 157 ? A -5.228 -1.271 8.726 1.000 1 A 94.943 1 ATOM 1195 O O . MET 157 157 ? A -6.042 -1.381 9.645 1.000 1 A 94.943 1 ATOM 1196 C CB . MET 157 157 ? A -5.924 -0.027 6.669 1.000 1 A 94.943 1 ATOM 1197 C CG . MET 157 157 ? A -6.301 1.335 6.110 1.000 1 A 94.943 1 ATOM 1198 S SD . MET 157 157 ? A -7.643 1.237 4.863 1.000 1 A 94.943 1 ATOM 1199 C CE . MET 157 157 ? A -9.006 0.648 5.907 1.000 1 A 94.943 1 ATOM 1200 N N . CYS 158 158 ? A -4.405 -2.196 8.346 1.000 1 A 96.028 1 ATOM 1201 C CA . CYS 158 158 ? A -4.430 -3.489 9.021 1.000 1 A 96.028 1 ATOM 1202 C C . CYS 158 158 ? A -3.942 -3.364 10.459 1.000 1 A 96.028 1 ATOM 1203 O O . CYS 158 158 ? A -4.547 -3.923 11.375 1.000 1 A 96.028 1 ATOM 1204 C CB . CYS 158 158 ? A -3.571 -4.504 8.267 1.000 1 A 96.028 1 ATOM 1205 S SG . CYS 158 158 ? A -4.286 -5.040 6.698 1.000 1 A 96.028 1 ATOM 1206 N N . VAL 159 159 ? A -2.892 -2.693 10.652 1.000 1 A 95.073 1 ATOM 1207 C CA . VAL 159 159 ? A -2.347 -2.492 11.990 1.000 1 A 95.073 1 ATOM 1208 C C . VAL 159 159 ? A -3.363 -1.751 12.856 1.000 1 A 95.073 1 ATOM 1209 O O . VAL 159 159 ? A -3.606 -2.133 14.003 1.000 1 A 95.073 1 ATOM 1210 C CB . VAL 159 159 ? A -1.013 -1.712 11.948 1.000 1 A 95.073 1 ATOM 1211 C CG1 . VAL 159 159 ? A -0.587 -1.295 13.354 1.000 1 A 95.073 1 ATOM 1212 C CG2 . VAL 159 159 ? A 0.075 -2.554 11.284 1.000 1 A 95.073 1 ATOM 1213 N N . GLU 160 160 ? A -3.943 -0.768 12.293 1.000 1 A 93.933 1 ATOM 1214 C CA . GLU 160 160 ? A -4.957 0 13.010 1.000 1 A 93.933 1 ATOM 1215 C C . GLU 160 160 ? A -6.169 -0.863 13.345 1.000 1 A 93.933 1 ATOM 1216 O O . GLU 160 160 ? A -6.755 -0.729 14.422 1.000 1 A 93.933 1 ATOM 1217 C CB . GLU 160 160 ? A -5.389 1.218 12.189 1.000 1 A 93.933 1 ATOM 1218 C CG . GLU 160 160 ? A -6.336 2.153 12.928 1.000 1 A 93.933 1 ATOM 1219 C CD . GLU 160 160 ? A -5.691 2.840 14.121 1.000 1 A 93.933 1 ATOM 1220 O OE1 . GLU 160 160 ? A -6.425 3.364 14.990 1.000 1 A 93.933 1 ATOM 1221 O OE2 . GLU 160 160 ? A -4.442 2.854 14.188 1.000 1 A 93.933 1 ATOM 1222 N N . SER 161 161 ? A -6.585 -1.693 12.439 1.000 1 A 94.483 1 ATOM 1223 C CA . SER 161 161 ? A -7.715 -2.588 12.664 1.000 1 A 94.483 1 ATOM 1224 C C . SER 161 161 ? A -7.465 -3.506 13.856 1.000 1 A 94.483 1 ATOM 1225 O O . SER 161 161 ? A -8.355 -3.715 14.683 1.000 1 A 94.483 1 ATOM 1226 C CB . SER 161 161 ? A -7.994 -3.426 11.415 1.000 1 A 94.483 1 ATOM 1227 O OG . SER 161 161 ? A -8.348 -2.596 10.322 1.000 1 A 94.483 1 ATOM 1228 N N . VAL 162 162 ? A -6.250 -4.048 13.936 1.000 1 A 94.831 1 ATOM 1229 C CA . VAL 162 162 ? A -5.904 -4.917 15.056 1.000 1 A 94.831 1 ATOM 1230 C C . VAL 162 162 ? A -5.869 -4.106 16.349 1.000 1 A 94.831 1 ATOM 1231 O O . VAL 162 162 ? A -6.360 -4.557 17.386 1.000 1 A 94.831 1 ATOM 1232 C CB . VAL 162 162 ? A -4.546 -5.619 14.831 1.000 1 A 94.831 1 ATOM 1233 C CG1 . VAL 162 162 ? A -4.130 -6.403 16.075 1.000 1 A 94.831 1 ATOM 1234 C CG2 . VAL 162 162 ? A -4.618 -6.541 13.615 1.000 1 A 94.831 1 ATOM 1235 N N . ASN 163 163 ? A -5.359 -2.897 16.316 1.000 1 A 93.407 1 ATOM 1236 C CA . ASN 163 163 ? A -5.263 -2.020 17.479 1.000 1 A 93.407 1 ATOM 1237 C C . ASN 163 163 ? A -6.642 -1.648 18.016 1.000 1 A 93.407 1 ATOM 1238 O O . ASN 163 163 ? A -6.819 -1.487 19.225 1.000 1 A 93.407 1 ATOM 1239 C CB . ASN 163 163 ? A -4.470 -0.757 17.135 1.000 1 A 93.407 1 ATOM 1240 C CG . ASN 163 163 ? A -2.974 -1.001 17.093 1.000 1 A 93.407 1 ATOM 1241 O OD1 . ASN 163 163 ? A -2.484 -2.015 17.596 1.000 1 A 93.407 1 ATOM 1242 N ND2 . ASN 163 163 ? A -2.239 -0.074 16.491 1.000 1 A 93.407 1 ATOM 1243 N N . ARG 164 164 ? A -7.589 -1.691 17.154 1.000 1 A 93.378 1 ATOM 1244 C CA . ARG 164 164 ? A -8.945 -1.320 17.544 1.000 1 A 93.378 1 ATOM 1245 C C . ARG 164 164 ? A -9.805 -2.558 17.778 1.000 1 A 93.378 1 ATOM 1246 O O . ARG 164 164 ? A -11.027 -2.457 17.902 1.000 1 A 93.378 1 ATOM 1247 C CB . ARG 164 164 ? A -9.587 -0.430 16.479 1.000 1 A 93.378 1 ATOM 1248 C CG . ARG 164 164 ? A -8.931 0.935 16.339 1.000 1 A 93.378 1 ATOM 1249 C CD . ARG 164 164 ? A -9.663 1.812 15.333 1.000 1 A 93.378 1 ATOM 1250 N NE . ARG 164 164 ? A -9.004 3.104 15.165 1.000 1 A 93.378 1 ATOM 1251 C CZ . ARG 164 164 ? A -9.631 4.245 14.890 1.000 1 A 93.378 1 ATOM 1252 N NH1 . ARG 164 164 ? A -10.951 4.276 14.746 1.000 1 A 93.378 1 ATOM 1253 N NH2 . ARG 164 164 ? A -8.933 5.364 14.758 1.000 1 A 93.378 1 ATOM 1254 N N . GLU 165 165 ? A -9.119 -3.723 17.751 1.000 1 A 92.460 1 ATOM 1255 C CA . GLU 165 165 ? A -9.780 -5.001 17.999 1.000 1 A 92.460 1 ATOM 1256 C C . GLU 165 165 ? A -10.784 -5.326 16.897 1.000 1 A 92.460 1 ATOM 1257 O O . GLU 165 165 ? A -11.878 -5.822 17.173 1.000 1 A 92.460 1 ATOM 1258 C CB . GLU 165 165 ? A -10.480 -4.989 19.361 1.000 1 A 92.460 1 ATOM 1259 C CG . GLU 165 165 ? A -9.533 -4.804 20.537 1.000 1 A 92.460 1 ATOM 1260 C CD . GLU 165 165 ? A -10.233 -4.854 21.885 1.000 1 A 92.460 1 ATOM 1261 O OE1 . GLU 165 165 ? A -9.547 -4.771 22.930 1.000 1 A 92.460 1 ATOM 1262 O OE2 . GLU 165 165 ? A -11.478 -4.979 21.898 1.000 1 A 92.460 1 ATOM 1263 N N . MET 166 166 ? A -10.599 -4.873 15.733 1.000 1 A 94.013 1 ATOM 1264 C CA . MET 166 166 ? A -11.388 -5.208 14.551 1.000 1 A 94.013 1 ATOM 1265 C C . MET 166 166 ? A -10.608 -6.131 13.620 1.000 1 A 94.013 1 ATOM 1266 O O . MET 166 166 ? A -10.497 -5.862 12.423 1.000 1 A 94.013 1 ATOM 1267 C CB . MET 166 166 ? A -11.803 -3.940 13.803 1.000 1 A 94.013 1 ATOM 1268 C CG . MET 166 166 ? A -12.658 -2.993 14.629 1.000 1 A 94.013 1 ATOM 1269 S SD . MET 166 166 ? A -13.082 -1.455 13.722 1.000 1 A 94.013 1 ATOM 1270 C CE . MET 166 166 ? A -11.567 -0.495 13.995 1.000 1 A 94.013 1 ATOM 1271 N N . SER 167 167 ? A -10.054 -7.161 14.095 1.000 1 A 91.920 1 ATOM 1272 C CA . SER 167 167 ? A -9.111 -8.069 13.449 1.000 1 A 91.920 1 ATOM 1273 C C . SER 167 167 ? A -9.708 -8.676 12.183 1.000 1 A 91.920 1 ATOM 1274 O O . SER 167 167 ? A -9.019 -8.812 11.170 1.000 1 A 91.920 1 ATOM 1275 C CB . SER 167 167 ? A -8.694 -9.182 14.411 1.000 1 A 91.920 1 ATOM 1276 O OG . SER 167 167 ? A -7.935 -8.659 15.487 1.000 1 A 91.920 1 ATOM 1277 N N . PRO 168 168 ? A -11.051 -9.008 12.201 1.000 1 A 92.297 1 ATOM 1278 C CA . PRO 168 168 ? A -11.616 -9.565 10.970 1.000 1 A 92.297 1 ATOM 1279 C C . PRO 168 168 ? A -11.511 -8.607 9.786 1.000 1 A 92.297 1 ATOM 1280 O O . PRO 168 168 ? A -11.560 -9.038 8.631 1.000 1 A 92.297 1 ATOM 1281 C CB . PRO 168 168 ? A -13.080 -9.820 11.338 1.000 1 A 92.297 1 ATOM 1282 C CG . PRO 168 168 ? A -13.083 -9.943 12.827 1.000 1 A 92.297 1 ATOM 1283 C CD . PRO 168 168 ? A -12.010 -9.052 13.382 1.000 1 A 92.297 1 ATOM 1284 N N . LEU 169 169 ? A -11.283 -7.317 10.094 1.000 1 A 93.878 1 ATOM 1285 C CA . LEU 169 169 ? A -11.146 -6.318 9.040 1.000 1 A 93.878 1 ATOM 1286 C C . LEU 169 169 ? A -9.858 -6.533 8.252 1.000 1 A 93.878 1 ATOM 1287 O O . LEU 169 169 ? A -9.787 -6.199 7.067 1.000 1 A 93.878 1 ATOM 1288 C CB . LEU 169 169 ? A -11.166 -4.907 9.632 1.000 1 A 93.878 1 ATOM 1289 C CG . LEU 169 169 ? A -12.546 -4.308 9.911 1.000 1 A 93.878 1 ATOM 1290 C CD1 . LEU 169 169 ? A -12.406 -2.925 10.538 1.000 1 A 93.878 1 ATOM 1291 C CD2 . LEU 169 169 ? A -13.369 -4.240 8.630 1.000 1 A 93.878 1 ATOM 1292 N N . VAL 170 170 ? A -8.920 -7.170 8.920 1.000 1 A 96.218 1 ATOM 1293 C CA . VAL 170 170 ? A -7.631 -7.414 8.281 1.000 1 A 96.218 1 ATOM 1294 C C . VAL 170 170 ? A -7.819 -8.323 7.068 1.000 1 A 96.218 1 ATOM 1295 O O . VAL 170 170 ? A -7.267 -8.062 5.997 1.000 1 A 96.218 1 ATOM 1296 C CB . VAL 170 170 ? A -6.619 -8.042 9.266 1.000 1 A 96.218 1 ATOM 1297 C CG1 . VAL 170 170 ? A -5.323 -8.410 8.546 1.000 1 A 96.218 1 ATOM 1298 C CG2 . VAL 170 170 ? A -6.338 -7.085 10.423 1.000 1 A 96.218 1 ATOM 1299 N N . ASP 171 171 ? A -8.622 -9.381 7.212 1.000 1 A 95.485 1 ATOM 1300 C CA . ASP 171 171 ? A -8.909 -10.284 6.101 1.000 1 A 95.485 1 ATOM 1301 C C . ASP 171 171 ? A -9.610 -9.547 4.962 1.000 1 A 95.485 1 ATOM 1302 O O . ASP 171 171 ? A -9.286 -9.752 3.791 1.000 1 A 95.485 1 ATOM 1303 C CB . ASP 171 171 ? A -9.765 -11.460 6.573 1.000 1 A 95.485 1 ATOM 1304 C CG . ASP 171 171 ? A -9.017 -12.407 7.495 1.000 1 A 95.485 1 ATOM 1305 O OD1 . ASP 171 171 ? A -7.794 -12.593 7.317 1.000 1 A 95.485 1 ATOM 1306 O OD2 . ASP 171 171 ? A -9.657 -12.973 8.407 1.000 1 A 95.485 1 ATOM 1307 N N . ASN 172 172 ? A -10.557 -8.677 5.326 1.000 1 A 95.494 1 ATOM 1308 C CA . ASN 172 172 ? A -11.278 -7.899 4.324 1.000 1 A 95.494 1 ATOM 1309 C C . ASN 172 172 ? A -10.351 -6.935 3.589 1.000 1 A 95.494 1 ATOM 1310 O O . ASN 172 172 ? A -10.430 -6.801 2.367 1.000 1 A 95.494 1 ATOM 1311 C CB . ASN 172 172 ? A -12.435 -7.134 4.970 1.000 1 A 95.494 1 ATOM 1312 C CG . ASN 172 172 ? A -13.558 -8.047 5.422 1.000 1 A 95.494 1 ATOM 1313 O OD1 . ASN 172 172 ? A -13.839 -9.067 4.788 1.000 1 A 95.494 1 ATOM 1314 N ND2 . ASN 172 172 ? A -14.207 -7.688 6.524 1.000 1 A 95.494 1 ATOM 1315 N N . ILE 173 173 ? A -9.503 -6.296 4.321 1.000 1 A 96.039 1 ATOM 1316 C CA . ILE 173 173 ? A -8.570 -5.341 3.733 1.000 1 A 96.039 1 ATOM 1317 C C . ILE 173 173 ? A -7.644 -6.059 2.754 1.000 1 A 96.039 1 ATOM 1318 O O . ILE 173 173 ? A -7.388 -5.564 1.654 1.000 1 A 96.039 1 ATOM 1319 C CB . ILE 173 173 ? A -7.743 -4.616 4.819 1.000 1 A 96.039 1 ATOM 1320 C CG1 . ILE 173 173 ? A -8.648 -3.713 5.665 1.000 1 A 96.039 1 ATOM 1321 C CG2 . ILE 173 173 ? A -6.604 -3.812 4.185 1.000 1 A 96.039 1 ATOM 1322 C CD1 . ILE 173 173 ? A -7.996 -3.207 6.944 1.000 1 A 96.039 1 ATOM 1323 N N . ALA 174 174 ? A -7.097 -7.222 3.140 1.000 1 A 96.989 1 ATOM 1324 C CA . ALA 174 174 ? A -6.256 -8.016 2.248 1.000 1 A 96.989 1 ATOM 1325 C C . ALA 174 174 ? A -7.000 -8.368 0.963 1.000 1 A 96.989 1 ATOM 1326 O O . ALA 174 174 ? A -6.432 -8.299 -0.130 1.000 1 A 96.989 1 ATOM 1327 C CB . ALA 174 174 ? A -5.784 -9.286 2.951 1.000 1 A 96.989 1 ATOM 1328 N N . LEU 175 175 ? A -8.235 -8.740 1.124 1.000 1 A 96.333 1 ATOM 1329 C CA . LEU 175 175 ? A -9.070 -9.061 -0.028 1.000 1 A 96.333 1 ATOM 1330 C C . LEU 175 175 ? A -9.244 -7.843 -0.929 1.000 1 A 96.333 1 ATOM 1331 O O . LEU 175 175 ? A -9.113 -7.945 -2.151 1.000 1 A 96.333 1 ATOM 1332 C CB . LEU 175 175 ? A -10.439 -9.573 0.427 1.000 1 A 96.333 1 ATOM 1333 C CG . LEU 175 175 ? A -11.365 -10.100 -0.670 1.000 1 A 96.333 1 ATOM 1334 C CD1 . LEU 175 175 ? A -12.187 -11.275 -0.151 1.000 1 A 96.333 1 ATOM 1335 C CD2 . LEU 175 175 ? A -12.275 -8.988 -1.181 1.000 1 A 96.333 1 ATOM 1336 N N . TRP 176 176 ? A -9.545 -6.723 -0.343 1.000 1 A 96.599 1 ATOM 1337 C CA . TRP 176 176 ? A -9.741 -5.491 -1.100 1.000 1 A 96.599 1 ATOM 1338 C C . TRP 176 176 ? A -8.460 -5.085 -1.822 1.000 1 A 96.599 1 ATOM 1339 O O . TRP 176 176 ? A -8.499 -4.675 -2.984 1.000 1 A 96.599 1 ATOM 1340 C CB . TRP 176 176 ? A -10.201 -4.360 -0.176 1.000 1 A 96.599 1 ATOM 1341 C CG . TRP 176 176 ? A -11.465 -4.660 0.572 1.000 1 A 96.599 1 ATOM 1342 C CD1 . TRP 176 176 ? A -12.451 -5.535 0.206 1.000 1 A 96.599 1 ATOM 1343 C CD2 . TRP 176 176 ? A -11.882 -4.082 1.812 1.000 1 A 96.599 1 ATOM 1344 N NE1 . TRP 176 176 ? A -13.455 -5.535 1.146 1.000 1 A 96.599 1 ATOM 1345 C CE2 . TRP 176 176 ? A -13.131 -4.653 2.141 1.000 1 A 96.599 1 ATOM 1346 C CE3 . TRP 176 176 ? A -11.319 -3.136 2.679 1.000 1 A 96.599 1 ATOM 1347 C CZ2 . TRP 176 176 ? A -13.827 -4.308 3.302 1.000 1 A 96.599 1 ATOM 1348 C CZ3 . TRP 176 176 ? A -12.013 -2.794 3.834 1.000 1 A 96.599 1 ATOM 1349 C CH2 . TRP 176 176 ? A -13.254 -3.380 4.133 1.000 1 A 96.599 1 ATOM 1350 N N . MET 177 177 ? A -7.403 -5.166 -1.181 1.000 1 A 97.833 1 ATOM 1351 C CA . MET 177 177 ? A -6.117 -4.835 -1.789 1.000 1 A 97.833 1 ATOM 1352 C C . MET 177 177 ? A -5.835 -5.734 -2.988 1.000 1 A 97.833 1 ATOM 1353 O O . MET 177 177 ? A -5.429 -5.254 -4.048 1.000 1 A 97.833 1 ATOM 1354 C CB . MET 177 177 ? A -4.989 -4.961 -0.764 1.000 1 A 97.833 1 ATOM 1355 C CG . MET 177 177 ? A -5.000 -3.872 0.297 1.000 1 A 97.833 1 ATOM 1356 S SD . MET 177 177 ? A -3.564 -3.984 1.434 1.000 1 A 97.833 1 ATOM 1357 C CE . MET 177 177 ? A -2.244 -3.387 0.341 1.000 1 A 97.833 1 ATOM 1358 N N . THR 178 178 ? A -5.992 -7.053 -2.742 1.000 1 A 96.804 1 ATOM 1359 C CA . THR 178 178 ? A -5.749 -8.029 -3.798 1.000 1 A 96.804 1 ATOM 1360 C C . THR 178 178 ? A -6.659 -7.769 -4.994 1.000 1 A 96.804 1 ATOM 1361 O O . THR 178 178 ? A -6.210 -7.802 -6.142 1.000 1 A 96.804 1 ATOM 1362 C CB . THR 178 178 ? A -5.962 -9.467 -3.289 1.000 1 A 96.804 1 ATOM 1363 O OG1 . THR 178 178 ? A -5.066 -9.720 -2.200 1.000 1 A 96.804 1 ATOM 1364 C CG2 . THR 178 178 ? A -5.701 -10.485 -4.394 1.000 1 A 96.804 1 ATOM 1365 N N . GLU 179 179 ? A -7.874 -7.530 -4.705 1.000 1 A 96.059 1 ATOM 1366 C CA . GLU 179 179 ? A -8.842 -7.253 -5.762 1.000 1 A 96.059 1 ATOM 1367 C C . GLU 179 179 ? A -8.450 -6.013 -6.559 1.000 1 A 96.059 1 ATOM 1368 O O . GLU 179 179 ? A -8.515 -6.014 -7.790 1.000 1 A 96.059 1 ATOM 1369 C CB . GLU 179 179 ? A -10.245 -7.079 -5.174 1.000 1 A 96.059 1 ATOM 1370 C CG . GLU 179 179 ? A -11.336 -6.921 -6.224 1.000 1 A 96.059 1 ATOM 1371 C CD . GLU 179 179 ? A -12.736 -6.877 -5.632 1.000 1 A 96.059 1 ATOM 1372 O OE1 . GLU 179 179 ? A -13.704 -6.616 -6.382 1.000 1 A 96.059 1 ATOM 1373 O OE2 . GLU 179 179 ? A -12.866 -7.103 -4.408 1.000 1 A 96.059 1 ATOM 1374 N N . TYR 180 180 ? A -8.077 -4.969 -5.829 1.000 1 A 96.179 1 ATOM 1375 C CA . TYR 180 180 ? A -7.703 -3.727 -6.494 1.000 1 A 96.179 1 ATOM 1376 C C . TYR 180 180 ? A -6.464 -3.923 -7.359 1.000 1 A 96.179 1 ATOM 1377 O O . TYR 180 180 ? A -6.415 -3.457 -8.500 1.000 1 A 96.179 1 ATOM 1378 C CB . TYR 180 180 ? A -7.452 -2.620 -5.466 1.000 1 A 96.179 1 ATOM 1379 C CG . TYR 180 180 ? A -7.397 -1.235 -6.065 1.000 1 A 96.179 1 ATOM 1380 C CD1 . TYR 180 180 ? A -6.187 -0.679 -6.472 1.000 1 A 96.179 1 ATOM 1381 C CD2 . TYR 180 180 ? A -8.554 -0.481 -6.224 1.000 1 A 96.179 1 ATOM 1382 C CE1 . TYR 180 180 ? A -6.131 0.597 -7.023 1.000 1 A 96.179 1 ATOM 1383 C CE2 . TYR 180 180 ? A -8.511 0.796 -6.774 1.000 1 A 96.179 1 ATOM 1384 C CZ . TYR 180 180 ? A -7.296 1.326 -7.170 1.000 1 A 96.179 1 ATOM 1385 O OH . TYR 180 180 ? A -7.247 2.589 -7.715 1.000 1 A 96.179 1 ATOM 1386 N N . LEU 181 181 ? A -5.511 -4.600 -6.909 1.000 1 A 95.745 1 ATOM 1387 C CA . LEU 181 181 ? A -4.277 -4.876 -7.637 1.000 1 A 95.745 1 ATOM 1388 C C . LEU 181 181 ? A -4.560 -5.677 -8.903 1.000 1 A 95.745 1 ATOM 1389 O O . LEU 181 181 ? A -4.022 -5.371 -9.970 1.000 1 A 95.745 1 ATOM 1390 C CB . LEU 181 181 ? A -3.289 -5.637 -6.748 1.000 1 A 95.745 1 ATOM 1391 C CG . LEU 181 181 ? A -2.417 -4.788 -5.822 1.000 1 A 95.745 1 ATOM 1392 C CD1 . LEU 181 181 ? A -1.680 -5.677 -4.826 1.000 1 A 95.745 1 ATOM 1393 C CD2 . LEU 181 181 ? A -1.431 -3.954 -6.633 1.000 1 A 95.745 1 ATOM 1394 N N . ASN 182 182 ? A -5.378 -6.705 -8.818 1.000 1 A 94.742 1 ATOM 1395 C CA . ASN 182 182 ? A -5.683 -7.586 -9.940 1.000 1 A 94.742 1 ATOM 1396 C C . ASN 182 182 ? A -6.512 -6.873 -11.004 1.000 1 A 94.742 1 ATOM 1397 O O . ASN 182 182 ? A -6.272 -7.042 -12.201 1.000 1 A 94.742 1 ATOM 1398 C CB . ASN 182 182 ? A -6.410 -8.842 -9.455 1.000 1 A 94.742 1 ATOM 1399 C CG . ASN 182 182 ? A -5.484 -9.821 -8.760 1.000 1 A 94.742 1 ATOM 1400 O OD1 . ASN 182 182 ? A -4.281 -9.858 -9.033 1.000 1 A 94.742 1 ATOM 1401 N ND2 . ASN 182 182 ? A -6.037 -10.620 -7.855 1.000 1 A 94.742 1 ATOM 1402 N N . ARG 183 183 ? A -7.344 -6.010 -10.545 1.000 1 A 92.381 1 ATOM 1403 C CA . ARG 183 183 ? A -8.298 -5.443 -11.493 1.000 1 A 92.381 1 ATOM 1404 C C . ARG 183 183 ? A -7.766 -4.147 -12.095 1.000 1 A 92.381 1 ATOM 1405 O O . ARG 183 183 ? A -7.897 -3.916 -13.299 1.000 1 A 92.381 1 ATOM 1406 C CB . ARG 183 183 ? A -9.646 -5.192 -10.814 1.000 1 A 92.381 1 ATOM 1407 C CG . ARG 183 183 ? A -10.450 -6.456 -10.554 1.000 1 A 92.381 1 ATOM 1408 C CD . ARG 183 183 ? A -11.837 -6.140 -10.012 1.000 1 A 92.381 1 ATOM 1409 N NE . ARG 183 183 ? A -12.782 -5.848 -11.086 1.000 1 A 92.381 1 ATOM 1410 C CZ . ARG 183 183 ? A -14.098 -5.742 -10.930 1.000 1 A 92.381 1 ATOM 1411 N NH1 . ARG 183 183 ? A -14.654 -5.902 -9.735 1.000 1 A 92.381 1 ATOM 1412 N NH2 . ARG 183 183 ? A -14.865 -5.473 -11.976 1.000 1 A 92.381 1 ATOM 1413 N N . HIS 184 184 ? A -7.086 -3.432 -11.169 1.000 1 A 91.995 1 ATOM 1414 C CA . HIS 184 184 ? A -6.843 -2.074 -11.643 1.000 1 A 91.995 1 ATOM 1415 C C . HIS 184 184 ? A -5.360 -1.841 -11.911 1.000 1 A 91.995 1 ATOM 1416 O O . HIS 184 184 ? A -4.999 -1.018 -12.756 1.000 1 A 91.995 1 ATOM 1417 C CB . HIS 184 184 ? A -7.361 -1.052 -10.630 1.000 1 A 91.995 1 ATOM 1418 C CG . HIS 184 184 ? A -8.831 -1.153 -10.372 1.000 1 A 91.995 1 ATOM 1419 N ND1 . HIS 184 184 ? A -9.777 -0.801 -11.310 1.000 1 A 91.995 1 ATOM 1420 C CD2 . HIS 184 184 ? A -9.515 -1.572 -9.282 1.000 1 A 91.995 1 ATOM 1421 C CE1 . HIS 184 184 ? A -10.983 -0.997 -10.806 1.000 1 A 91.995 1 ATOM 1422 N NE2 . HIS 184 184 ? A -10.852 -1.465 -9.576 1.000 1 A 91.995 1 ATOM 1423 N N . LEU 185 185 ? A -4.575 -2.583 -11.258 1.000 1 A 94.985 1 ATOM 1424 C CA . LEU 185 185 ? A -3.151 -2.276 -11.334 1.000 1 A 94.985 1 ATOM 1425 C C . LEU 185 185 ? A -2.407 -3.339 -12.134 1.000 1 A 94.985 1 ATOM 1426 O O . LEU 185 185 ? A -1.300 -3.095 -12.619 1.000 1 A 94.985 1 ATOM 1427 C CB . LEU 185 185 ? A -2.552 -2.164 -9.929 1.000 1 A 94.985 1 ATOM 1428 C CG . LEU 185 185 ? A -3.108 -1.050 -9.041 1.000 1 A 94.985 1 ATOM 1429 C CD1 . LEU 185 185 ? A -2.369 -1.016 -7.708 1.000 1 A 94.985 1 ATOM 1430 C CD2 . LEU 185 185 ? A -3.010 0.297 -9.747 1.000 1 A 94.985 1 ATOM 1431 N N . HIS 186 186 ? A -3.097 -4.498 -12.364 1.000 1 A 93.547 1 ATOM 1432 C CA . HIS 186 186 ? A -2.436 -5.643 -12.979 1.000 1 A 93.547 1 ATOM 1433 C C . HIS 186 186 ? A -1.929 -5.301 -14.377 1.000 1 A 93.547 1 ATOM 1434 O O . HIS 186 186 ? A -0.767 -5.559 -14.700 1.000 1 A 93.547 1 ATOM 1435 C CB . HIS 186 186 ? A -3.386 -6.840 -13.044 1.000 1 A 93.547 1 ATOM 1436 C CG . HIS 186 186 ? A -2.772 -8.062 -13.649 1.000 1 A 93.547 1 ATOM 1437 N ND1 . HIS 186 186 ? A -1.843 -8.834 -12.986 1.000 1 A 93.547 1 ATOM 1438 C CD2 . HIS 186 186 ? A -2.959 -8.646 -14.856 1.000 1 A 93.547 1 ATOM 1439 C CE1 . HIS 186 186 ? A -1.483 -9.842 -13.762 1.000 1 A 93.547 1 ATOM 1440 N NE2 . HIS 186 186 ? A -2.145 -9.751 -14.902 1.000 1 A 93.547 1 ATOM 1441 N N . THR 187 187 ? A -2.813 -4.654 -15.125 1.000 1 A 91.940 1 ATOM 1442 C CA . THR 187 187 ? A -2.465 -4.337 -16.505 1.000 1 A 91.940 1 ATOM 1443 C C . THR 187 187 ? A -1.301 -3.351 -16.556 1.000 1 A 91.940 1 ATOM 1444 O O . THR 187 187 ? A -0.371 -3.520 -17.347 1.000 1 A 91.940 1 ATOM 1445 C CB . THR 187 187 ? A -3.670 -3.754 -17.266 1.000 1 A 91.940 1 ATOM 1446 O OG1 . THR 187 187 ? A -4.750 -4.695 -17.233 1.000 1 A 91.940 1 ATOM 1447 C CG2 . THR 187 187 ? A -3.312 -3.459 -18.719 1.000 1 A 91.940 1 ATOM 1448 N N . TRP 188 188 ? A -1.381 -2.322 -15.722 1.000 1 A 94.078 1 ATOM 1449 C CA . TRP 188 188 ? A -0.316 -1.326 -15.688 1.000 1 A 94.078 1 ATOM 1450 C C . TRP 188 188 ? A 1.010 -1.959 -15.277 1.000 1 A 94.078 1 ATOM 1451 O O . TRP 188 188 ? A 2.050 -1.684 -15.880 1.000 1 A 94.078 1 ATOM 1452 C CB . TRP 188 188 ? A -0.672 -0.189 -14.726 1.000 1 A 94.078 1 ATOM 1453 C CG . TRP 188 188 ? A 0.293 0.957 -14.753 1.000 1 A 94.078 1 ATOM 1454 C CD1 . TRP 188 188 ? A 0.220 2.078 -15.532 1.000 1 A 94.078 1 ATOM 1455 C CD2 . TRP 188 188 ? A 1.481 1.092 -13.967 1.000 1 A 94.078 1 ATOM 1456 N NE1 . TRP 188 188 ? A 1.292 2.902 -15.277 1.000 1 A 94.078 1 ATOM 1457 C CE2 . TRP 188 188 ? A 2.080 2.321 -14.322 1.000 1 A 94.078 1 ATOM 1458 C CE3 . TRP 188 188 ? A 2.098 0.292 -12.996 1.000 1 A 94.078 1 ATOM 1459 C CZ2 . TRP 188 188 ? A 3.268 2.769 -13.738 1.000 1 A 94.078 1 ATOM 1460 C CZ3 . TRP 188 188 ? A 3.280 0.739 -12.416 1.000 1 A 94.078 1 ATOM 1461 C CH2 . TRP 188 188 ? A 3.850 1.967 -12.791 1.000 1 A 94.078 1 ATOM 1462 N N . ILE 189 189 ? A 1.034 -2.775 -14.273 1.000 1 A 93.022 1 ATOM 1463 C CA . ILE 189 189 ? A 2.227 -3.438 -13.756 1.000 1 A 93.022 1 ATOM 1464 C C . ILE 189 189 ? A 2.852 -4.301 -14.850 1.000 1 A 93.022 1 ATOM 1465 O O . ILE 189 189 ? A 4.064 -4.252 -15.072 1.000 1 A 93.022 1 ATOM 1466 C CB . ILE 189 189 ? A 1.902 -4.298 -12.514 1.000 1 A 93.022 1 ATOM 1467 C CG1 . ILE 189 189 ? A 1.546 -3.401 -11.323 1.000 1 A 93.022 1 ATOM 1468 C CG2 . ILE 189 189 ? A 3.076 -5.220 -12.174 1.000 1 A 93.022 1 ATOM 1469 C CD1 . ILE 189 189 ? A 0.989 -4.157 -10.124 1.000 1 A 93.022 1 ATOM 1470 N N . GLN 190 190 ? A 2.060 -4.998 -15.567 1.000 1 A 92.200 1 ATOM 1471 C CA . GLN 190 190 ? A 2.558 -5.869 -16.626 1.000 1 A 92.200 1 ATOM 1472 C C . GLN 190 190 ? A 3.138 -5.055 -17.780 1.000 1 A 92.200 1 ATOM 1473 O O . GLN 190 190 ? A 4.177 -5.413 -18.338 1.000 1 A 92.200 1 ATOM 1474 C CB . GLN 190 190 ? A 1.444 -6.784 -17.137 1.000 1 A 92.200 1 ATOM 1475 C CG . GLN 190 190 ? A 0.995 -7.830 -16.125 1.000 1 A 92.200 1 ATOM 1476 C CD . GLN 190 190 ? A 2.136 -8.704 -15.639 1.000 1 A 92.200 1 ATOM 1477 O OE1 . GLN 190 190 ? A 2.984 -9.135 -16.426 1.000 1 A 92.200 1 ATOM 1478 N NE2 . GLN 190 190 ? A 2.164 -8.974 -14.338 1.000 1 A 92.200 1 ATOM 1479 N N . ASP 191 191 ? A 2.439 -3.943 -18.091 1.000 1 A 91.523 1 ATOM 1480 C CA . ASP 191 191 ? A 2.881 -3.086 -19.186 1.000 1 A 91.523 1 ATOM 1481 C C . ASP 191 191 ? A 4.208 -2.408 -18.852 1.000 1 A 91.523 1 ATOM 1482 O O . ASP 191 191 ? A 4.919 -1.949 -19.748 1.000 1 A 91.523 1 ATOM 1483 C CB . ASP 191 191 ? A 1.818 -2.033 -19.506 1.000 1 A 91.523 1 ATOM 1484 C CG . ASP 191 191 ? A 0.596 -2.614 -20.195 1.000 1 A 91.523 1 ATOM 1485 O OD1 . ASP 191 191 ? A 0.651 -3.773 -20.659 1.000 1 A 91.523 1 ATOM 1486 O OD2 . ASP 191 191 ? A -0.431 -1.906 -20.277 1.000 1 A 91.523 1 ATOM 1487 N N . ASN 192 192 ? A 4.530 -2.371 -17.596 1.000 1 A 91.149 1 ATOM 1488 C CA . ASN 192 192 ? A 5.765 -1.720 -17.173 1.000 1 A 91.149 1 ATOM 1489 C C . ASN 192 192 ? A 6.819 -2.739 -16.750 1.000 1 A 91.149 1 ATOM 1490 O O . ASN 192 192 ? A 7.735 -2.412 -15.993 1.000 1 A 91.149 1 ATOM 1491 C CB . ASN 192 192 ? A 5.490 -0.735 -16.035 1.000 1 A 91.149 1 ATOM 1492 C CG . ASN 192 192 ? A 4.829 0.542 -16.514 1.000 1 A 91.149 1 ATOM 1493 O OD1 . ASN 192 192 ? A 5.503 1.483 -16.942 1.000 1 A 91.149 1 ATOM 1494 N ND2 . ASN 192 192 ? A 3.503 0.584 -16.448 1.000 1 A 91.149 1 ATOM 1495 N N . GLY 193 193 ? A 6.754 -3.977 -17.234 1.000 1 A 90.645 1 ATOM 1496 C CA . GLY 193 193 ? A 7.792 -4.974 -17.024 1.000 1 A 90.645 1 ATOM 1497 C C . GLY 193 193 ? A 7.485 -5.923 -15.882 1.000 1 A 90.645 1 ATOM 1498 O O . GLY 193 193 ? A 8.328 -6.739 -15.502 1.000 1 A 90.645 1 ATOM 1499 N N . GLY 194 194 ? A 6.327 -5.729 -15.227 1.000 1 A 91.985 1 ATOM 1500 C CA . GLY 194 194 ? A 5.947 -6.599 -14.126 1.000 1 A 91.985 1 ATOM 1501 C C . GLY 194 194 ? A 6.707 -6.309 -12.846 1.000 1 A 91.985 1 ATOM 1502 O O . GLY 194 194 ? A 7.341 -5.260 -12.718 1.000 1 A 91.985 1 ATOM 1503 N N . TRP 195 195 ? A 6.549 -7.196 -11.928 1.000 1 A 93.433 1 ATOM 1504 C CA . TRP 195 195 ? A 7.193 -7.053 -10.627 1.000 1 A 93.433 1 ATOM 1505 C C . TRP 195 195 ? A 8.708 -7.177 -10.753 1.000 1 A 93.433 1 ATOM 1506 O O . TRP 195 195 ? A 9.452 -6.646 -9.925 1.000 1 A 93.433 1 ATOM 1507 C CB . TRP 195 195 ? A 6.662 -8.101 -9.645 1.000 1 A 93.433 1 ATOM 1508 C CG . TRP 195 195 ? A 5.257 -7.850 -9.187 1.000 1 A 93.433 1 ATOM 1509 C CD1 . TRP 195 195 ? A 4.128 -8.504 -9.596 1.000 1 A 93.433 1 ATOM 1510 C CD2 . TRP 195 195 ? A 4.831 -6.870 -8.236 1.000 1 A 93.433 1 ATOM 1511 N NE1 . TRP 195 195 ? A 3.025 -7.990 -8.955 1.000 1 A 93.433 1 ATOM 1512 C CE2 . TRP 195 195 ? A 3.428 -6.987 -8.115 1.000 1 A 93.433 1 ATOM 1513 C CE3 . TRP 195 195 ? A 5.499 -5.904 -7.472 1.000 1 A 93.433 1 ATOM 1514 C CZ2 . TRP 195 195 ? A 2.682 -6.172 -7.260 1.000 1 A 93.433 1 ATOM 1515 C CZ3 . TRP 195 195 ? A 4.755 -5.094 -6.622 1.000 1 A 93.433 1 ATOM 1516 C CH2 . TRP 195 195 ? A 3.361 -5.235 -6.525 1.000 1 A 93.433 1 ATOM 1517 N N . ASP 196 196 ? A 9.165 -7.755 -11.832 1.000 1 A 91.574 1 ATOM 1518 C CA . ASP 196 196 ? A 10.601 -7.849 -12.078 1.000 1 A 91.574 1 ATOM 1519 C C . ASP 196 196 ? A 11.208 -6.469 -12.324 1.000 1 A 91.574 1 ATOM 1520 O O . ASP 196 196 ? A 12.322 -6.187 -11.879 1.000 1 A 91.574 1 ATOM 1521 C CB . ASP 196 196 ? A 10.883 -8.766 -13.269 1.000 1 A 91.574 1 ATOM 1522 C CG . ASP 196 196 ? A 10.551 -10.222 -12.989 1.000 1 A 91.574 1 ATOM 1523 O OD1 . ASP 196 196 ? A 10.793 -10.695 -11.857 1.000 1 A 91.574 1 ATOM 1524 O OD2 . ASP 196 196 ? A 10.046 -10.902 -13.908 1.000 1 A 91.574 1 ATOM 1525 N N . ALA 197 197 ? A 10.478 -5.665 -13.065 1.000 1 A 91.147 1 ATOM 1526 C CA . ALA 197 197 ? A 10.907 -4.287 -13.291 1.000 1 A 91.147 1 ATOM 1527 C C . ALA 197 197 ? A 10.956 -3.506 -11.980 1.000 1 A 91.147 1 ATOM 1528 O O . ALA 197 197 ? A 11.845 -2.676 -11.779 1.000 1 A 91.147 1 ATOM 1529 C CB . ALA 197 197 ? A 9.975 -3.595 -14.283 1.000 1 A 91.147 1 ATOM 1530 N N . PHE 198 198 ? A 9.937 -3.784 -11.172 1.000 1 A 93.020 1 ATOM 1531 C CA . PHE 198 198 ? A 9.916 -3.168 -9.850 1.000 1 A 93.020 1 ATOM 1532 C C . PHE 198 198 ? A 11.191 -3.495 -9.081 1.000 1 A 93.020 1 ATOM 1533 O O . PHE 198 198 ? A 11.820 -2.605 -8.505 1.000 1 A 93.020 1 ATOM 1534 C CB . PHE 198 198 ? A 8.691 -3.634 -9.057 1.000 1 A 93.020 1 ATOM 1535 C CG . PHE 198 198 ? A 8.704 -3.207 -7.614 1.000 1 A 93.020 1 ATOM 1536 C CD1 . PHE 198 198 ? A 9.050 -4.106 -6.612 1.000 1 A 93.020 1 ATOM 1537 C CD2 . PHE 198 198 ? A 8.369 -1.907 -7.260 1.000 1 A 93.020 1 ATOM 1538 C CE1 . PHE 198 198 ? A 9.063 -3.713 -5.276 1.000 1 A 93.020 1 ATOM 1539 C CE2 . PHE 198 198 ? A 8.379 -1.508 -5.926 1.000 1 A 93.020 1 ATOM 1540 C CZ . PHE 198 198 ? A 8.725 -2.413 -4.936 1.000 1 A 93.020 1 ATOM 1541 N N . VAL 199 199 ? A 11.572 -4.731 -9.067 1.000 1 A 92.463 1 ATOM 1542 C CA . VAL 199 199 ? A 12.765 -5.193 -8.366 1.000 1 A 92.463 1 ATOM 1543 C C . VAL 199 199 ? A 14.006 -4.535 -8.968 1.000 1 A 92.463 1 ATOM 1544 O O . VAL 199 199 ? A 14.921 -4.142 -8.241 1.000 1 A 92.463 1 ATOM 1545 C CB . VAL 199 199 ? A 12.897 -6.731 -8.424 1.000 1 A 92.463 1 ATOM 1546 C CG1 . VAL 199 199 ? A 14.253 -7.178 -7.880 1.000 1 A 92.463 1 ATOM 1547 C CG2 . VAL 199 199 ? A 11.761 -7.393 -7.645 1.000 1 A 92.463 1 ATOM 1548 N N . GLU 200 200 ? A 14.050 -4.409 -10.175 1.000 1 A 90.837 1 ATOM 1549 C CA . GLU 200 200 ? A 15.177 -3.786 -10.862 1.000 1 A 90.837 1 ATOM 1550 C C . GLU 200 200 ? A 15.309 -2.314 -10.481 1.000 1 A 90.837 1 ATOM 1551 O O . GLU 200 200 ? A 16.420 -1.811 -10.303 1.000 1 A 90.837 1 ATOM 1552 C CB . GLU 200 200 ? A 15.027 -3.925 -12.379 1.000 1 A 90.837 1 ATOM 1553 C CG . GLU 200 200 ? A 16.245 -3.461 -13.163 1.000 1 A 90.837 1 ATOM 1554 C CD . GLU 200 200 ? A 16.120 -3.693 -14.660 1.000 1 A 90.837 1 ATOM 1555 O OE1 . GLU 200 200 ? A 17.011 -3.250 -15.420 1.000 1 A 90.837 1 ATOM 1556 O OE2 . GLU 200 200 ? A 15.122 -4.322 -15.077 1.000 1 A 90.837 1 ATOM 1557 N N . LEU 201 201 ? A 14.142 -1.684 -10.405 1.000 1 A 89.633 1 ATOM 1558 C CA . LEU 201 201 ? A 14.122 -0.261 -10.087 1.000 1 A 89.633 1 ATOM 1559 C C . LEU 201 201 ? A 14.550 -0.021 -8.643 1.000 1 A 89.633 1 ATOM 1560 O O . LEU 201 201 ? A 15.345 0.882 -8.368 1.000 1 A 89.633 1 ATOM 1561 C CB . LEU 201 201 ? A 12.725 0.321 -10.321 1.000 1 A 89.633 1 ATOM 1562 C CG . LEU 201 201 ? A 12.559 1.816 -10.045 1.000 1 A 89.633 1 ATOM 1563 C CD1 . LEU 201 201 ? A 13.433 2.630 -10.993 1.000 1 A 89.633 1 ATOM 1564 C CD2 . LEU 201 201 ? A 11.095 2.224 -10.175 1.000 1 A 89.633 1 ATOM 1565 N N . TYR 202 202 ? A 14.111 -0.839 -7.749 1.000 1 A 88.494 1 ATOM 1566 C CA . TYR 202 202 ? A 14.334 -0.596 -6.328 1.000 1 A 88.494 1 ATOM 1567 C C . TYR 202 202 ? A 15.439 -1.495 -5.788 1.000 1 A 88.494 1 ATOM 1568 O O . TYR 202 202 ? A 15.921 -1.293 -4.671 1.000 1 A 88.494 1 ATOM 1569 C CB . TYR 202 202 ? A 13.043 -0.822 -5.536 1.000 1 A 88.494 1 ATOM 1570 C CG . TYR 202 202 ? A 12.050 0.309 -5.657 1.000 1 A 88.494 1 ATOM 1571 C CD1 . TYR 202 202 ? A 12.232 1.499 -4.956 1.000 1 A 88.494 1 ATOM 1572 C CD2 . TYR 202 202 ? A 10.929 0.189 -6.471 1.000 1 A 88.494 1 ATOM 1573 C CE1 . TYR 202 202 ? A 11.319 2.543 -5.063 1.000 1 A 88.494 1 ATOM 1574 C CE2 . TYR 202 202 ? A 10.009 1.227 -6.585 1.000 1 A 88.494 1 ATOM 1575 C CZ . TYR 202 202 ? A 10.213 2.398 -5.879 1.000 1 A 88.494 1 ATOM 1576 O OH . TYR 202 202 ? A 9.306 3.428 -5.989 1.000 1 A 88.494 1 ATOM 1577 N N . GLY 203 203 ? A 15.798 -2.505 -6.616 1.000 1 A 81.344 1 ATOM 1578 C CA . GLY 203 203 ? A 16.799 -3.471 -6.193 1.000 1 A 81.344 1 ATOM 1579 C C . GLY 203 203 ? A 18.146 -2.841 -5.890 1.000 1 A 81.344 1 ATOM 1580 O O . GLY 203 203 ? A 18.703 -3.046 -4.810 1.000 1 A 81.344 1 ATOM 1581 N N . PRO 204 204 ? A 18.692 -2.074 -7.002 1.000 1 A 71.035 1 ATOM 1582 C CA . PRO 204 204 ? A 20.050 -1.542 -6.868 1.000 1 A 71.035 1 ATOM 1583 C C . PRO 204 204 ? A 20.167 -0.495 -5.762 1.000 1 A 71.035 1 ATOM 1584 O O . PRO 204 204 ? A 21.231 -0.349 -5.155 1.000 1 A 71.035 1 ATOM 1585 C CB . PRO 204 204 ? A 20.323 -0.920 -8.239 1.000 1 A 71.035 1 ATOM 1586 C CG . PRO 204 204 ? A 19.350 -1.583 -9.160 1.000 1 A 71.035 1 ATOM 1587 C CD . PRO 204 204 ? A 18.139 -1.983 -8.366 1.000 1 A 71.035 1 ATOM 1588 N N . SER 205 205 ? A 19.039 0.338 -5.625 1.000 1 A 58.455 1 ATOM 1589 C CA . SER 205 205 ? A 19.085 1.342 -4.567 1.000 1 A 58.455 1 ATOM 1590 C C . SER 205 205 ? A 19.006 0.697 -3.188 1.000 1 A 58.455 1 ATOM 1591 O O . SER 205 205 ? A 19.344 1.325 -2.182 1.000 1 A 58.455 1 ATOM 1592 C CB . SER 205 205 ? A 17.946 2.349 -4.734 1.000 1 A 58.455 1 ATOM 1593 O OG . SER 205 205 ? A 17.863 2.796 -6.077 1.000 1 A 58.455 1 ATOM 1594 N N . MET 206 206 ? A 18.719 -0.661 -3.266 1.000 1 A 55.928 1 ATOM 1595 C CA . MET 206 206 ? A 18.359 -1.282 -1.994 1.000 1 A 55.928 1 ATOM 1596 C C . MET 206 206 ? A 19.433 -2.266 -1.546 1.000 1 A 55.928 1 ATOM 1597 O O . MET 206 206 ? A 19.283 -2.931 -0.519 1.000 1 A 55.928 1 ATOM 1598 C CB . MET 206 206 ? A 17.010 -1.994 -2.106 1.000 1 A 55.928 1 ATOM 1599 C CG . MET 206 206 ? A 15.851 -1.065 -2.428 1.000 1 A 55.928 1 ATOM 1600 S SD . MET 206 206 ? A 14.221 -1.892 -2.262 1.000 1 A 55.928 1 ATOM 1601 C CE . MET 206 206 ? A 13.122 -0.535 -2.758 1.000 1 A 55.928 1 ATOM 1602 N N . ARG 207 207 ? A 20.374 -2.620 -2.637 1.000 1 A 49.120 1 ATOM 1603 C CA . ARG 207 207 ? A 21.532 -3.323 -2.094 1.000 1 A 49.120 1 ATOM 1604 C C . ARG 207 207 ? A 22.136 -2.558 -0.921 1.000 1 A 49.120 1 ATOM 1605 O O . ARG 207 207 ? A 22.461 -1.375 -1.045 1.000 1 A 49.120 1 ATOM 1606 C CB . ARG 207 207 ? A 22.589 -3.537 -3.179 1.000 1 A 49.120 1 ATOM 1607 C CG . ARG 207 207 ? A 22.193 -4.561 -4.231 1.000 1 A 49.120 1 ATOM 1608 C CD . ARG 207 207 ? A 23.312 -4.800 -5.235 1.000 1 A 49.120 1 ATOM 1609 N NE . ARG 207 207 ? A 22.929 -5.782 -6.246 1.000 1 A 49.120 1 ATOM 1610 C CZ . ARG 207 207 ? A 23.500 -5.902 -7.441 1.000 1 A 49.120 1 ATOM 1611 N NH1 . ARG 207 207 ? A 24.497 -5.100 -7.800 1.000 1 A 49.120 1 ATOM 1612 N NH2 . ARG 207 207 ? A 23.073 -6.830 -8.284 1.000 1 A 49.120 1 ATOM 1613 N N . PRO 208 208 ? A 21.536 -2.640 0.289 1.000 1 A 48.996 1 ATOM 1614 C CA . PRO 208 208 ? A 22.124 -2.060 1.499 1.000 1 A 48.996 1 ATOM 1615 C C . PRO 208 208 ? A 23.633 -1.856 1.383 1.000 1 A 48.996 1 ATOM 1616 O O . PRO 208 208 ? A 24.316 -2.641 0.721 1.000 1 A 48.996 1 ATOM 1617 C CB . PRO 208 208 ? A 21.794 -3.091 2.581 1.000 1 A 48.996 1 ATOM 1618 C CG . PRO 208 208 ? A 21.250 -4.266 1.835 1.000 1 A 48.996 1 ATOM 1619 C CD . PRO 208 208 ? A 21.304 -3.965 0.365 1.000 1 A 48.996 1 ATOM 1620 N N . LEU 209 209 ? A 24.256 -0.869 0.680 1.000 1 A 46.775 1 ATOM 1621 C CA . LEU 209 209 ? A 25.489 -0.524 1.380 1.000 1 A 46.775 1 ATOM 1622 C C . LEU 209 209 ? A 25.826 -1.573 2.434 1.000 1 A 46.775 1 ATOM 1623 O O . LEU 209 209 ? A 26.392 -1.247 3.481 1.000 1 A 46.775 1 ATOM 1624 C CB . LEU 209 209 ? A 25.366 0.854 2.035 1.000 1 A 46.775 1 ATOM 1625 C CG . LEU 209 209 ? A 25.171 2.040 1.089 1.000 1 A 46.775 1 ATOM 1626 C CD1 . LEU 209 209 ? A 24.855 3.304 1.881 1.000 1 A 46.775 1 ATOM 1627 C CD2 . LEU 209 209 ? A 26.410 2.242 0.222 1.000 1 A 46.775 1 ATOM 1628 N N . PHE 210 210 ? A 25.152 -2.786 2.513 1.000 1 A 45.651 1 ATOM 1629 C CA . PHE 210 210 ? A 25.784 -3.847 3.288 1.000 1 A 45.651 1 ATOM 1630 C C . PHE 210 210 ? A 26.971 -4.435 2.535 1.000 1 A 45.651 1 ATOM 1631 O O . PHE 210 210 ? A 27.272 -5.622 2.669 1.000 1 A 45.651 1 ATOM 1632 C CB . PHE 210 210 ? A 24.772 -4.950 3.616 1.000 1 A 45.651 1 ATOM 1633 C CG . PHE 210 210 ? A 23.835 -4.600 4.741 1.000 1 A 45.651 1 ATOM 1634 C CD1 . PHE 210 210 ? A 24.253 -4.683 6.063 1.000 1 A 45.651 1 ATOM 1635 C CD2 . PHE 210 210 ? A 22.536 -4.187 4.474 1.000 1 A 45.651 1 ATOM 1636 C CE1 . PHE 210 210 ? A 23.388 -4.359 7.106 1.000 1 A 45.651 1 ATOM 1637 C CE2 . PHE 210 210 ? A 21.666 -3.862 5.511 1.000 1 A 45.651 1 ATOM 1638 C CZ . PHE 210 210 ? A 22.093 -3.950 6.826 1.000 1 A 45.651 1 ATOM 1639 N N . ASP 211 211 ? A 27.330 -3.942 1.374 1.000 1 A 46.540 1 ATOM 1640 C CA . ASP 211 211 ? A 28.738 -4.291 1.213 1.000 1 A 46.540 1 ATOM 1641 C C . ASP 211 211 ? A 29.623 -3.434 2.116 1.000 1 A 46.540 1 ATOM 1642 O O . ASP 211 211 ? A 30.732 -3.839 2.471 1.000 1 A 46.540 1 ATOM 1643 C CB . ASP 211 211 ? A 29.167 -4.132 -0.248 1.000 1 A 46.540 1 ATOM 1644 C CG . ASP 211 211 ? A 28.796 -5.327 -1.108 1.000 1 A 46.540 1 ATOM 1645 O OD1 . ASP 211 211 ? A 28.594 -6.433 -0.561 1.000 1 A 46.540 1 ATOM 1646 O OD2 . ASP 211 211 ? A 28.708 -5.162 -2.344 1.000 1 A 46.540 1 ATOM 1647 N N . PHE 212 212 ? A 29.156 -2.532 3.052 1.000 1 A 48.306 1 ATOM 1648 C CA . PHE 212 212 ? A 30.184 -1.967 3.917 1.000 1 A 48.306 1 ATOM 1649 C C . PHE 212 212 ? A 29.955 -2.374 5.368 1.000 1 A 48.306 1 ATOM 1650 O O . PHE 212 212 ? A 30.908 -2.515 6.137 1.000 1 A 48.306 1 ATOM 1651 C CB . PHE 212 212 ? A 30.209 -0.439 3.799 1.000 1 A 48.306 1 ATOM 1652 C CG . PHE 212 212 ? A 30.899 0.062 2.558 1.000 1 A 48.306 1 ATOM 1653 C CD1 . PHE 212 212 ? A 32.285 0.086 2.478 1.000 1 A 48.306 1 ATOM 1654 C CD2 . PHE 212 212 ? A 30.159 0.509 1.471 1.000 1 A 48.306 1 ATOM 1655 C CE1 . PHE 212 212 ? A 32.926 0.549 1.331 1.000 1 A 48.306 1 ATOM 1656 C CE2 . PHE 212 212 ? A 30.792 0.973 0.322 1.000 1 A 48.306 1 ATOM 1657 C CZ . PHE 212 212 ? A 32.175 0.993 0.254 1.000 1 A 48.306 1 ATOM 1658 N N . SER 213 213 ? A 28.639 -2.856 5.813 1.000 1 A 50.086 1 ATOM 1659 C CA . SER 213 213 ? A 28.487 -3.244 7.211 1.000 1 A 50.086 1 ATOM 1660 C C . SER 213 213 ? A 28.868 -4.705 7.424 1.000 1 A 50.086 1 ATOM 1661 O O . SER 213 213 ? A 29.121 -5.127 8.554 1.000 1 A 50.086 1 ATOM 1662 C CB . SER 213 213 ? A 27.050 -3.009 7.680 1.000 1 A 50.086 1 ATOM 1663 O OG . SER 213 213 ? A 26.719 -1.633 7.617 1.000 1 A 50.086 1 ATOM 1664 N N . TRP 214 214 ? A 28.975 -5.683 6.412 1.000 1 A 45.373 1 ATOM 1665 C CA . TRP 214 214 ? A 29.641 -6.973 6.555 1.000 1 A 45.373 1 ATOM 1666 C C . TRP 214 214 ? A 31.157 -6.806 6.563 1.000 1 A 45.373 1 ATOM 1667 O O . TRP 214 214 ? A 31.862 -7.516 7.284 1.000 1 A 45.373 1 ATOM 1668 C CB . TRP 214 214 ? A 29.225 -7.922 5.427 1.000 1 A 45.373 1 ATOM 1669 C CG . TRP 214 214 ? A 29.755 -9.316 5.577 1.000 1 A 45.373 1 ATOM 1670 C CD1 . TRP 214 214 ? A 30.831 -9.862 4.934 1.000 1 A 45.373 1 ATOM 1671 C CD2 . TRP 214 214 ? A 29.228 -10.344 6.421 1.000 1 A 45.373 1 ATOM 1672 N NE1 . TRP 214 214 ? A 31.006 -11.168 5.329 1.000 1 A 45.373 1 ATOM 1673 C CE2 . TRP 214 214 ? A 30.036 -11.488 6.241 1.000 1 A 45.373 1 ATOM 1674 C CE3 . TRP 214 214 ? A 28.151 -10.408 7.315 1.000 1 A 45.373 1 ATOM 1675 C CZ2 . TRP 214 214 ? A 29.799 -12.684 6.922 1.000 1 A 45.373 1 ATOM 1676 C CZ3 . TRP 214 214 ? A 27.917 -11.599 7.992 1.000 1 A 45.373 1 ATOM 1677 C CH2 . TRP 214 214 ? A 28.739 -12.720 7.790 1.000 1 A 45.373 1 ATOM 1678 N N . LEU 215 215 ? A 31.761 -5.837 6.047 1.000 1 A 52.998 1 ATOM 1679 C CA . LEU 215 215 ? A 33.166 -5.494 6.238 1.000 1 A 52.998 1 ATOM 1680 C C . LEU 215 215 ? A 33.360 -4.690 7.519 1.000 1 A 52.998 1 ATOM 1681 O O . LEU 215 215 ? A 34.375 -4.840 8.203 1.000 1 A 52.998 1 ATOM 1682 C CB . LEU 215 215 ? A 33.692 -4.700 5.039 1.000 1 A 52.998 1 ATOM 1683 C CG . LEU 215 215 ? A 33.987 -5.503 3.771 1.000 1 A 52.998 1 ATOM 1684 C CD1 . LEU 215 215 ? A 33.967 -4.591 2.549 1.000 1 A 52.998 1 ATOM 1685 C CD2 . LEU 215 215 ? A 35.329 -6.218 3.890 1.000 1 A 52.998 1 ATOM 1686 N N . SER 216 216 ? A 32.342 -4.057 8.230 1.000 1 A 55.525 1 ATOM 1687 C CA . SER 216 216 ? A 32.656 -3.219 9.383 1.000 1 A 55.525 1 ATOM 1688 C C . SER 216 216 ? A 32.320 -3.929 10.690 1.000 1 A 55.525 1 ATOM 1689 O O . SER 216 216 ? A 32.870 -3.598 11.742 1.000 1 A 55.525 1 ATOM 1690 C CB . SER 216 216 ? A 31.899 -1.893 9.304 1.000 1 A 55.525 1 ATOM 1691 O OG . SER 216 216 ? A 31.584 -1.416 10.601 1.000 1 A 55.525 1 ATOM 1692 N N . LEU 217 217 ? A 31.220 -4.947 10.651 1.000 1 A 64.093 1 ATOM 1693 C CA . LEU 217 217 ? A 31.106 -5.608 11.946 1.000 1 A 64.093 1 ATOM 1694 C C . LEU 217 217 ? A 32.389 -6.357 12.290 1.000 1 A 64.093 1 ATOM 1695 O O . LEU 217 217 ? A 32.854 -6.310 13.431 1.000 1 A 64.093 1 ATOM 1696 C CB . LEU 217 217 ? A 29.919 -6.575 11.952 1.000 1 A 64.093 1 ATOM 1697 C CG . LEU 217 217 ? A 29.550 -7.188 13.304 1.000 1 A 64.093 1 ATOM 1698 C CD1 . LEU 217 217 ? A 28.927 -6.133 14.212 1.000 1 A 64.093 1 ATOM 1699 C CD2 . LEU 217 217 ? A 28.601 -8.367 13.116 1.000 1 A 64.093 1 ATOM 1700 N N . LYS 218 218 ? A 32.966 -7.077 11.315 1.000 1 A 63.152 1 ATOM 1701 C CA . LYS 218 218 ? A 34.269 -7.690 11.552 1.000 1 A 63.152 1 ATOM 1702 C C . LYS 218 218 ? A 35.334 -6.630 11.819 1.000 1 A 63.152 1 ATOM 1703 O O . LYS 218 218 ? A 36.189 -6.808 12.690 1.000 1 A 63.152 1 ATOM 1704 C CB . LYS 218 218 ? A 34.680 -8.557 10.361 1.000 1 A 63.152 1 ATOM 1705 C CG . LYS 218 218 ? A 34.232 -10.007 10.467 1.000 1 A 63.152 1 ATOM 1706 C CD . LYS 218 218 ? A 34.635 -10.808 9.235 1.000 1 A 63.152 1 ATOM 1707 C CE . LYS 218 218 ? A 34.529 -12.307 9.482 1.000 1 A 63.152 1 ATOM 1708 N NZ . LYS 218 218 ? A 34.218 -13.055 8.227 1.000 1 A 63.152 1 ATOM 1709 N N . THR 219 219 ? A 35.256 -5.462 11.074 1.000 1 A 67.325 1 ATOM 1710 C CA . THR 219 219 ? A 36.234 -4.397 11.269 1.000 1 A 67.325 1 ATOM 1711 C C . THR 219 219 ? A 36.040 -3.725 12.625 1.000 1 A 67.325 1 ATOM 1712 O O . THR 219 219 ? A 37.013 -3.414 13.314 1.000 1 A 67.325 1 ATOM 1713 C CB . THR 219 219 ? A 36.140 -3.342 10.152 1.000 1 A 67.325 1 ATOM 1714 O OG1 . THR 219 219 ? A 35.077 -3.694 9.257 1.000 1 A 67.325 1 ATOM 1715 C CG2 . THR 219 219 ? A 37.444 -3.256 9.365 1.000 1 A 67.325 1 ATOM 1716 N N . LEU 220 220 ? A 34.732 -3.424 12.848 1.000 1 A 70.790 1 ATOM 1717 C CA . LEU 220 220 ? A 34.484 -2.850 14.166 1.000 1 A 70.790 1 ATOM 1718 C C . LEU 220 220 ? A 34.910 -3.814 15.268 1.000 1 A 70.790 1 ATOM 1719 O O . LEU 220 220 ? A 35.516 -3.402 16.259 1.000 1 A 70.790 1 ATOM 1720 C CB . LEU 220 220 ? A 33.003 -2.496 14.326 1.000 1 A 70.790 1 ATOM 1721 C CG . LEU 220 220 ? A 32.577 -1.118 13.818 1.000 1 A 70.790 1 ATOM 1722 C CD1 . LEU 220 220 ? A 31.063 -1.063 13.643 1.000 1 A 70.790 1 ATOM 1723 C CD2 . LEU 220 220 ? A 33.049 -0.026 14.773 1.000 1 A 70.790 1 ATOM 1724 N N . LEU 221 221 ? A 34.461 -5.196 15.068 1.000 1 A 73.891 1 ATOM 1725 C CA . LEU 221 221 ? A 34.893 -6.196 16.038 1.000 1 A 73.891 1 ATOM 1726 C C . LEU 221 221 ? A 36.410 -6.353 16.018 1.000 1 A 73.891 1 ATOM 1727 O O . LEU 221 221 ? A 37.037 -6.495 17.070 1.000 1 A 73.891 1 ATOM 1728 C CB . LEU 221 221 ? A 34.224 -7.543 15.754 1.000 1 A 73.891 1 ATOM 1729 C CG . LEU 221 221 ? A 32.881 -7.792 16.442 1.000 1 A 73.891 1 ATOM 1730 C CD1 . LEU 221 221 ? A 31.923 -8.502 15.491 1.000 1 A 73.891 1 ATOM 1731 C CD2 . LEU 221 221 ? A 33.075 -8.604 17.718 1.000 1 A 73.891 1 ATOM 1732 N N . SER 222 222 ? A 36.962 -6.260 14.760 1.000 1 A 76.732 1 ATOM 1733 C CA . SER 222 222 ? A 38.417 -6.328 14.661 1.000 1 A 76.732 1 ATOM 1734 C C . SER 222 222 ? A 39.069 -5.079 15.243 1.000 1 A 76.732 1 ATOM 1735 O O . SER 222 222 ? A 40.106 -5.164 15.904 1.000 1 A 76.732 1 ATOM 1736 C CB . SER 222 222 ? A 38.847 -6.506 13.204 1.000 1 A 76.732 1 ATOM 1737 O OG . SER 222 222 ? A 40.200 -6.121 13.029 1.000 1 A 76.732 1 ATOM 1738 N N . LEU 223 223 ? A 38.538 -3.882 14.999 1.000 1 A 80.338 1 ATOM 1739 C CA . LEU 223 223 ? A 39.054 -2.642 15.570 1.000 1 A 80.338 1 ATOM 1740 C C . LEU 223 223 ? A 38.873 -2.624 17.084 1.000 1 A 80.338 1 ATOM 1741 O O . LEU 223 223 ? A 39.751 -2.157 17.813 1.000 1 A 80.338 1 ATOM 1742 C CB . LEU 223 223 ? A 38.353 -1.432 14.946 1.000 1 A 80.338 1 ATOM 1743 C CG . LEU 223 223 ? A 39.007 -0.071 15.188 1.000 1 A 80.338 1 ATOM 1744 C CD1 . LEU 223 223 ? A 40.328 0.024 14.433 1.000 1 A 80.338 1 ATOM 1745 C CD2 . LEU 223 223 ? A 38.066 1.055 14.774 1.000 1 A 80.338 1 ATOM 1746 N N . ALA 224 224 ? A 37.607 -3.150 17.529 1.000 1 A 79.913 1 ATOM 1747 C CA . ALA 224 224 ? A 37.391 -3.279 18.968 1.000 1 A 79.913 1 ATOM 1748 C C . ALA 224 224 ? A 38.395 -4.247 19.588 1.000 1 A 79.913 1 ATOM 1749 O O . ALA 224 224 ? A 38.912 -3.999 20.680 1.000 1 A 79.913 1 ATOM 1750 C CB . ALA 224 224 ? A 35.965 -3.743 19.253 1.000 1 A 79.913 1 ATOM 1751 N N . LEU 225 225 ? A 38.669 -5.368 18.958 1.000 1 A 86.610 1 ATOM 1752 C CA . LEU 225 225 ? A 39.659 -6.336 19.416 1.000 1 A 86.610 1 ATOM 1753 C C . LEU 225 225 ? A 41.058 -5.730 19.405 1.000 1 A 86.610 1 ATOM 1754 O O . LEU 225 225 ? A 41.825 -5.910 20.353 1.000 1 A 86.610 1 ATOM 1755 C CB . LEU 225 225 ? A 39.628 -7.591 18.540 1.000 1 A 86.610 1 ATOM 1756 C CG . LEU 225 225 ? A 40.509 -8.757 18.992 1.000 1 A 86.610 1 ATOM 1757 C CD1 . LEU 225 225 ? A 39.913 -9.424 20.228 1.000 1 A 86.610 1 ATOM 1758 C CD2 . LEU 225 225 ? A 40.681 -9.767 17.863 1.000 1 A 86.610 1 ATOM 1759 N N . VAL 226 226 ? A 41.443 -4.972 18.364 1.000 1 A 85.130 1 ATOM 1760 C CA . VAL 226 226 ? A 42.744 -4.317 18.281 1.000 1 A 85.130 1 ATOM 1761 C C . VAL 226 226 ? A 42.852 -3.244 19.362 1.000 1 A 85.130 1 ATOM 1762 O O . VAL 226 226 ? A 43.893 -3.108 20.009 1.000 1 A 85.130 1 ATOM 1763 C CB . VAL 226 226 ? A 42.979 -3.695 16.887 1.000 1 A 85.130 1 ATOM 1764 C CG1 . VAL 226 226 ? A 44.288 -2.906 16.861 1.000 1 A 85.130 1 ATOM 1765 C CG2 . VAL 226 226 ? A 42.985 -4.780 15.812 1.000 1 A 85.130 1 ATOM 1766 N N . GLY 227 227 ? A 41.726 -2.494 19.564 1.000 1 A 84.329 1 ATOM 1767 C CA . GLY 227 227 ? A 41.693 -1.510 20.634 1.000 1 A 84.329 1 ATOM 1768 C C . GLY 227 227 ? A 41.825 -2.125 22.014 1.000 1 A 84.329 1 ATOM 1769 O O . GLY 227 227 ? A 42.558 -1.611 22.862 1.000 1 A 84.329 1 ATOM 1770 N N . ALA 228 228 ? A 41.142 -3.273 22.222 1.000 1 A 85.233 1 ATOM 1771 C CA . ALA 228 228 ? A 41.236 -3.986 23.494 1.000 1 A 85.233 1 ATOM 1772 C C . ALA 228 228 ? A 42.625 -4.589 23.683 1.000 1 A 85.233 1 ATOM 1773 O O . ALA 228 228 ? A 43.163 -4.589 24.793 1.000 1 A 85.233 1 ATOM 1774 C CB . ALA 228 228 ? A 40.171 -5.077 23.572 1.000 1 A 85.233 1 ATOM 1775 N N . CYS 229 229 ? A 43.288 -5.031 22.615 1.000 1 A 84.251 1 ATOM 1776 C CA . CYS 229 229 ? A 44.626 -5.607 22.704 1.000 1 A 84.251 1 ATOM 1777 C C . CYS 229 229 ? A 45.664 -4.532 23.001 1.000 1 A 84.251 1 ATOM 1778 O O . CYS 229 229 ? A 46.605 -4.766 23.761 1.000 1 A 84.251 1 ATOM 1779 C CB . CYS 229 229 ? A 44.985 -6.331 21.406 1.000 1 A 84.251 1 ATOM 1780 S SG . CYS 229 229 ? A 44.117 -7.899 21.182 1.000 1 A 84.251 1 ATOM 1781 N N . ILE 230 230 ? A 45.503 -3.345 22.422 1.000 1 A 85.872 1 ATOM 1782 C CA . ILE 230 230 ? A 46.431 -2.246 22.663 1.000 1 A 85.872 1 ATOM 1783 C C . ILE 230 230 ? A 46.316 -1.781 24.113 1.000 1 A 85.872 1 ATOM 1784 O O . ILE 230 230 ? A 47.327 -1.532 24.774 1.000 1 A 85.872 1 ATOM 1785 C CB . ILE 230 230 ? A 46.172 -1.066 21.700 1.000 1 A 85.872 1 ATOM 1786 C CG1 . ILE 230 230 ? A 46.451 -1.487 20.252 1.000 1 A 85.872 1 ATOM 1787 C CG2 . ILE 230 230 ? A 47.022 0.147 22.091 1.000 1 A 85.872 1 ATOM 1788 C CD1 . ILE 230 230 ? A 46.110 -0.420 19.221 1.000 1 A 85.872 1 ATOM 1789 N N . THR 231 231 ? A 45.067 -1.696 24.616 1.000 1 A 84.602 1 ATOM 1790 C CA . THR 231 231 ? A 44.831 -1.302 26.000 1.000 1 A 84.602 1 ATOM 1791 C C . THR 231 231 ? A 45.369 -2.356 26.963 1.000 1 A 84.602 1 ATOM 1792 O O . THR 231 231 ? A 45.988 -2.022 27.975 1.000 1 A 84.602 1 ATOM 1793 C CB . THR 231 231 ? A 43.331 -1.076 26.268 1.000 1 A 84.602 1 ATOM 1794 O OG1 . THR 231 231 ? A 42.808 -0.167 25.292 1.000 1 A 84.602 1 ATOM 1795 C CG2 . THR 231 231 ? A 43.103 -0.496 27.660 1.000 1 A 84.602 1 ATOM 1796 N N . LEU 232 232 ? A 45.201 -3.647 26.680 1.000 1 A 83.535 1 ATOM 1797 C CA . LEU 232 232 ? A 45.739 -4.722 27.507 1.000 1 A 83.535 1 ATOM 1798 C C . LEU 232 232 ? A 47.259 -4.776 27.407 1.000 1 A 83.535 1 ATOM 1799 O O . LEU 232 232 ? A 47.942 -5.041 28.399 1.000 1 A 83.535 1 ATOM 1800 C CB . LEU 232 232 ? A 45.140 -6.068 27.093 1.000 1 A 83.535 1 ATOM 1801 C CG . LEU 232 232 ? A 44.493 -6.894 28.206 1.000 1 A 83.535 1 ATOM 1802 C CD1 . LEU 232 232 ? A 42.976 -6.745 28.164 1.000 1 A 83.535 1 ATOM 1803 C CD2 . LEU 232 232 ? A 44.895 -8.361 28.087 1.000 1 A 83.535 1 ATOM 1804 N N . GLY 233 233 ? A 47.811 -4.532 26.177 1.000 1 A 82.142 1 ATOM 1805 C CA . GLY 233 233 ? A 49.254 -4.461 26.007 1.000 1 A 82.142 1 ATOM 1806 C C . GLY 233 233 ? A 49.887 -3.306 26.759 1.000 1 A 82.142 1 ATOM 1807 O O . GLY 233 233 ? A 50.967 -3.451 27.335 1.000 1 A 82.142 1 ATOM 1808 N N . ALA 234 234 ? A 49.168 -2.187 26.787 1.000 1 A 84.634 1 ATOM 1809 C CA . ALA 234 234 ? A 49.679 -1.036 27.527 1.000 1 A 84.634 1 ATOM 1810 C C . ALA 234 234 ? A 49.620 -1.282 29.032 1.000 1 A 84.634 1 ATOM 1811 O O . ALA 234 234 ? A 50.518 -0.869 29.770 1.000 1 A 84.634 1 ATOM 1812 C CB . ALA 234 234 ? A 48.891 0.221 27.165 1.000 1 A 84.634 1 ATOM 1813 N N . TYR 235 235 ? A 48.611 -1.933 29.520 1.000 1 A 83.194 1 ATOM 1814 C CA . TYR 235 235 ? A 48.451 -2.234 30.938 1.000 1 A 83.194 1 ATOM 1815 C C . TYR 235 235 ? A 49.465 -3.277 31.392 1.000 1 A 83.194 1 ATOM 1816 O O . TYR 235 235 ? A 50.034 -3.166 32.481 1.000 1 A 83.194 1 ATOM 1817 C CB . TYR 235 235 ? A 47.030 -2.728 31.226 1.000 1 A 83.194 1 ATOM 1818 C CG . TYR 235 235 ? A 46.694 -2.786 32.697 1.000 1 A 83.194 1 ATOM 1819 C CD1 . TYR 235 235 ? A 46.730 -3.992 33.392 1.000 1 A 83.194 1 ATOM 1820 C CD2 . TYR 235 235 ? A 46.339 -1.636 33.393 1.000 1 A 83.194 1 ATOM 1821 C CE1 . TYR 235 235 ? A 46.420 -4.051 34.747 1.000 1 A 83.194 1 ATOM 1822 C CE2 . TYR 235 235 ? A 46.027 -1.682 34.747 1.000 1 A 83.194 1 ATOM 1823 C CZ . TYR 235 235 ? A 46.070 -2.893 35.415 1.000 1 A 83.194 1 ATOM 1824 O OH . TYR 235 235 ? A 45.761 -2.945 36.756 1.000 1 A 83.194 1 ATOM 1825 N N . LEU 236 236 ? A 49.845 -4.263 30.560 1.000 1 A 82.288 1 ATOM 1826 C CA . LEU 236 236 ? A 50.823 -5.282 30.922 1.000 1 A 82.288 1 ATOM 1827 C C . LEU 236 236 ? A 52.244 -4.745 30.785 1.000 1 A 82.288 1 ATOM 1828 O O . LEU 236 236 ? A 53.147 -5.176 31.506 1.000 1 A 82.288 1 ATOM 1829 C CB . LEU 236 236 ? A 50.649 -6.527 30.047 1.000 1 A 82.288 1 ATOM 1830 C CG . LEU 236 236 ? A 49.473 -7.441 30.395 1.000 1 A 82.288 1 ATOM 1831 C CD1 . LEU 236 236 ? A 49.058 -8.257 29.176 1.000 1 A 82.288 1 ATOM 1832 C CD2 . LEU 236 236 ? A 49.833 -8.356 31.561 1.000 1 A 82.288 1 ATOM 1833 N N . GLY 237 237 ? A 52.551 -3.729 29.966 1.000 1 A 78.213 1 ATOM 1834 C CA . GLY 237 237 ? A 53.870 -3.125 29.862 1.000 1 A 78.213 1 ATOM 1835 C C . GLY 237 237 ? A 54.160 -2.131 30.971 1.000 1 A 78.213 1 ATOM 1836 O O . GLY 237 237 ? A 55.318 -1.931 31.344 1.000 1 A 78.213 1 ATOM 1837 N N . HIS 238 238 ? A 53.131 -1.617 31.661 1.000 1 A 70.982 1 ATOM 1838 C CA . HIS 238 238 ? A 53.302 -0.658 32.746 1.000 1 A 70.982 1 ATOM 1839 C C . HIS 238 238 ? A 53.489 -1.367 34.083 1.000 1 A 70.982 1 ATOM 1840 O O . HIS 238 238 ? A 54.177 -0.857 34.970 1.000 1 A 70.982 1 ATOM 1841 C CB . HIS 238 238 ? A 52.103 0.290 32.817 1.000 1 A 70.982 1 ATOM 1842 C CG . HIS 238 238 ? A 52.366 1.532 33.608 1.000 1 A 70.982 1 ATOM 1843 N ND1 . HIS 238 238 ? A 52.141 1.611 34.966 1.000 1 A 70.982 1 ATOM 1844 C CD2 . HIS 238 238 ? A 52.839 2.743 33.231 1.000 1 A 70.982 1 ATOM 1845 C CE1 . HIS 238 238 ? A 52.464 2.822 35.389 1.000 1 A 70.982 1 ATOM 1846 N NE2 . HIS 238 238 ? A 52.890 3.528 34.356 1.000 1 A 70.982 1 ATOM 1847 N N . LYS 239 239 ? A 53.216 -2.681 34.226 1.000 1 A 62.075 1 ATOM 1848 C CA . LYS 239 239 ? A 53.530 -3.440 35.433 1.000 1 A 62.075 1 ATOM 1849 C C . LYS 239 239 ? A 54.875 -4.149 35.302 1.000 1 A 62.075 1 ATOM 1850 O O . LYS 239 239 ? A 55.632 -4.238 36.271 1.000 1 A 62.075 1 ATOM 1851 C CB . LYS 239 239 ? A 52.428 -4.459 35.728 1.000 1 A 62.075 1 ATOM 1852 C CG . LYS 239 239 ? A 51.412 -3.991 36.760 1.000 1 A 62.075 1 ATOM 1853 C CD . LYS 239 239 ? A 50.472 -5.117 37.170 1.000 1 A 62.075 1 ATOM 1854 C CE . LYS 239 239 ? A 49.464 -4.653 38.212 1.000 1 A 62.075 1 ATOM 1855 N NZ . LYS 239 239 ? A 48.412 -5.684 38.463 1.000 1 A 62.075 1 ATOM 1856 N N . MET 1 1 ? B -35.050 -1.550 23.973 1.000 2 B 40.320 1 ATOM 1857 C CA . MET 1 1 ? B -35.930 -0.970 22.963 1.000 2 B 40.320 1 ATOM 1858 C C . MET 1 1 ? B -35.499 0.452 22.617 1.000 2 B 40.320 1 ATOM 1859 O O . MET 1 1 ? B -35.549 1.344 23.466 1.000 2 B 40.320 1 ATOM 1860 C CB . MET 1 1 ? B -37.381 -0.973 23.446 1.000 2 B 40.320 1 ATOM 1861 C CG . MET 1 1 ? B -38.400 -1.131 22.329 1.000 2 B 40.320 1 ATOM 1862 S SD . MET 1 1 ? B -40.127 -1.140 22.948 1.000 2 B 40.320 1 ATOM 1863 C CE . MET 1 1 ? B -41.016 -1.516 21.412 1.000 2 B 40.320 1 ATOM 1864 N N . PHE 2 2 ? B -34.414 0.596 21.923 1.000 2 B 40.034 1 ATOM 1865 C CA . PHE 2 2 ? B -34.054 1.908 21.401 1.000 2 B 40.034 1 ATOM 1866 C C . PHE 2 2 ? B -33.992 1.887 19.878 1.000 2 B 40.034 1 ATOM 1867 O O . PHE 2 2 ? B -33.379 0.995 19.289 1.000 2 B 40.034 1 ATOM 1868 C CB . PHE 2 2 ? B -32.709 2.367 21.974 1.000 2 B 40.034 1 ATOM 1869 C CG . PHE 2 2 ? B -32.751 2.678 23.446 1.000 2 B 40.034 1 ATOM 1870 C CD1 . PHE 2 2 ? B -33.208 3.911 23.897 1.000 2 B 40.034 1 ATOM 1871 C CD2 . PHE 2 2 ? B -32.334 1.738 24.379 1.000 2 B 40.034 1 ATOM 1872 C CE1 . PHE 2 2 ? B -33.249 4.202 25.258 1.000 2 B 40.034 1 ATOM 1873 C CE2 . PHE 2 2 ? B -32.371 2.022 25.741 1.000 2 B 40.034 1 ATOM 1874 C CZ . PHE 2 2 ? B -32.828 3.255 26.179 1.000 2 B 40.034 1 ATOM 1875 N N . GLN 3 3 ? B -35.077 2.342 19.128 1.000 2 B 44.682 1 ATOM 1876 C CA . GLN 3 3 ? B -35.736 2.947 17.974 1.000 2 B 44.682 1 ATOM 1877 C C . GLN 3 3 ? B -34.723 3.624 17.056 1.000 2 B 44.682 1 ATOM 1878 O O . GLN 3 3 ? B -33.989 4.517 17.484 1.000 2 B 44.682 1 ATOM 1879 C CB . GLN 3 3 ? B -36.792 3.956 18.427 1.000 2 B 44.682 1 ATOM 1880 C CG . GLN 3 3 ? B -38.205 3.613 17.973 1.000 2 B 44.682 1 ATOM 1881 C CD . GLN 3 3 ? B -39.260 4.484 18.629 1.000 2 B 44.682 1 ATOM 1882 O OE1 . GLN 3 3 ? B -38.982 5.616 19.039 1.000 2 B 44.682 1 ATOM 1883 N NE2 . GLN 3 3 ? B -40.478 3.964 18.732 1.000 2 B 44.682 1 ATOM 1884 N N . ILE 4 4 ? B -34.046 2.931 16.100 1.000 2 B 55.315 1 ATOM 1885 C CA . ILE 4 4 ? B -33.285 3.476 14.982 1.000 2 B 55.315 1 ATOM 1886 C C . ILE 4 4 ? B -34.195 4.339 14.110 1.000 2 B 55.315 1 ATOM 1887 O O . ILE 4 4 ? B -35.284 3.908 13.723 1.000 2 B 55.315 1 ATOM 1888 C CB . ILE 4 4 ? B -32.639 2.355 14.137 1.000 2 B 55.315 1 ATOM 1889 C CG1 . ILE 4 4 ? B -31.876 1.379 15.039 1.000 2 B 55.315 1 ATOM 1890 C CG2 . ILE 4 4 ? B -31.717 2.948 13.067 1.000 2 B 55.315 1 ATOM 1891 C CD1 . ILE 4 4 ? B -31.390 0.126 14.324 1.000 2 B 55.315 1 ATOM 1892 N N . PRO 5 5 ? B -33.968 5.680 13.922 1.000 2 B 45.058 1 ATOM 1893 C CA . PRO 5 5 ? B -34.714 6.509 12.973 1.000 2 B 45.058 1 ATOM 1894 C C . PRO 5 5 ? B -34.414 6.156 11.518 1.000 2 B 45.058 1 ATOM 1895 O O . PRO 5 5 ? B -33.260 5.901 11.166 1.000 2 B 45.058 1 ATOM 1896 C CB . PRO 5 5 ? B -34.242 7.929 13.299 1.000 2 B 45.058 1 ATOM 1897 C CG . PRO 5 5 ? B -33.380 7.776 14.510 1.000 2 B 45.058 1 ATOM 1898 C CD . PRO 5 5 ? B -33.041 6.322 14.674 1.000 2 B 45.058 1 ATOM 1899 N N . GLU 6 6 ? B -35.351 5.455 10.814 1.000 2 B 45.766 1 ATOM 1900 C CA . GLU 6 6 ? B -35.873 5.330 9.456 1.000 2 B 45.766 1 ATOM 1901 C C . GLU 6 6 ? B -35.606 6.594 8.644 1.000 2 B 45.766 1 ATOM 1902 O O . GLU 6 6 ? B -36.049 7.683 9.017 1.000 2 B 45.766 1 ATOM 1903 C CB . GLU 6 6 ? B -37.373 5.028 9.482 1.000 2 B 45.766 1 ATOM 1904 C CG . GLU 6 6 ? B -37.723 3.612 9.046 1.000 2 B 45.766 1 ATOM 1905 C CD . GLU 6 6 ? B -39.220 3.351 8.999 1.000 2 B 45.766 1 ATOM 1906 O OE1 . GLU 6 6 ? B -39.639 2.326 8.416 1.000 2 B 45.766 1 ATOM 1907 O OE2 . GLU 6 6 ? B -39.979 4.179 9.549 1.000 2 B 45.766 1 ATOM 1908 N N . PHE 7 7 ? B -34.407 6.846 8.150 1.000 2 B 53.581 1 ATOM 1909 C CA . PHE 7 7 ? B -34.143 7.876 7.151 1.000 2 B 53.581 1 ATOM 1910 C C . PHE 7 7 ? B -34.743 7.491 5.805 1.000 2 B 53.581 1 ATOM 1911 O O . PHE 7 7 ? B -34.509 6.388 5.307 1.000 2 B 53.581 1 ATOM 1912 C CB . PHE 7 7 ? B -32.636 8.112 7.006 1.000 2 B 53.581 1 ATOM 1913 C CG . PHE 7 7 ? B -32.281 9.501 6.550 1.000 2 B 53.581 1 ATOM 1914 C CD1 . PHE 7 7 ? B -31.997 9.758 5.214 1.000 2 B 53.581 1 ATOM 1915 C CD2 . PHE 7 7 ? B -32.230 10.551 7.458 1.000 2 B 53.581 1 ATOM 1916 C CE1 . PHE 7 7 ? B -31.667 11.043 4.789 1.000 2 B 53.581 1 ATOM 1917 C CE2 . PHE 7 7 ? B -31.902 11.838 7.040 1.000 2 B 53.581 1 ATOM 1918 C CZ . PHE 7 7 ? B -31.620 12.082 5.706 1.000 2 B 53.581 1 ATOM 1919 N N . GLU 8 8 ? B -35.993 7.835 5.496 1.000 2 B 47.958 1 ATOM 1920 C CA . GLU 8 8 ? B -36.868 8.165 4.375 1.000 2 B 47.958 1 ATOM 1921 C C . GLU 8 8 ? B -36.083 8.797 3.229 1.000 2 B 47.958 1 ATOM 1922 O O . GLU 8 8 ? B -35.392 9.800 3.422 1.000 2 B 47.958 1 ATOM 1923 C CB . GLU 8 8 ? B -37.989 9.105 4.825 1.000 2 B 47.958 1 ATOM 1924 C CG . GLU 8 8 ? B -39.274 8.958 4.024 1.000 2 B 47.958 1 ATOM 1925 C CD . GLU 8 8 ? B -40.397 9.856 4.520 1.000 2 B 47.958 1 ATOM 1926 O OE1 . GLU 8 8 ? B -41.260 10.254 3.706 1.000 2 B 47.958 1 ATOM 1927 O OE2 . GLU 8 8 ? B -40.412 10.164 5.733 1.000 2 B 47.958 1 ATOM 1928 N N . PRO 9 9 ? B -35.901 8.154 2.027 1.000 2 B 46.444 1 ATOM 1929 C CA . PRO 9 9 ? B -35.296 8.576 0.762 1.000 2 B 46.444 1 ATOM 1930 C C . PRO 9 9 ? B -36.106 9.660 0.053 1.000 2 B 46.444 1 ATOM 1931 O O . PRO 9 9 ? B -37.335 9.576 -0.008 1.000 2 B 46.444 1 ATOM 1932 C CB . PRO 9 9 ? B -35.270 7.287 -0.064 1.000 2 B 46.444 1 ATOM 1933 C CG . PRO 9 9 ? B -36.192 6.355 0.654 1.000 2 B 46.444 1 ATOM 1934 C CD . PRO 9 9 ? B -36.722 7.053 1.873 1.000 2 B 46.444 1 ATOM 1935 N N . SER 10 10 ? B -35.836 10.947 0.251 1.000 2 B 42.899 1 ATOM 1936 C CA . SER 10 10 ? B -36.268 12.088 -0.549 1.000 2 B 42.899 1 ATOM 1937 C C . SER 10 10 ? B -36.029 11.843 -2.035 1.000 2 B 42.899 1 ATOM 1938 O O . SER 10 10 ? B -34.956 11.381 -2.429 1.000 2 B 42.899 1 ATOM 1939 C CB . SER 10 10 ? B -35.539 13.358 -0.109 1.000 2 B 42.899 1 ATOM 1940 O OG . SER 10 10 ? B -34.411 13.041 0.687 1.000 2 B 42.899 1 ATOM 1941 N N . GLU 11 11 ? B -36.918 11.202 -2.752 1.000 2 B 38.193 1 ATOM 1942 C CA . GLU 11 11 ? B -37.531 11.491 -4.045 1.000 2 B 38.193 1 ATOM 1943 C C . GLU 11 11 ? B -37.427 12.975 -4.385 1.000 2 B 38.193 1 ATOM 1944 O O . GLU 11 11 ? B -37.911 13.825 -3.634 1.000 2 B 38.193 1 ATOM 1945 C CB . GLU 11 11 ? B -38.997 11.051 -4.055 1.000 2 B 38.193 1 ATOM 1946 C CG . GLU 11 11 ? B -39.251 9.739 -3.327 1.000 2 B 38.193 1 ATOM 1947 C CD . GLU 11 11 ? B -40.668 9.218 -3.505 1.000 2 B 38.193 1 ATOM 1948 O OE1 . GLU 11 11 ? B -40.839 8.090 -4.022 1.000 2 B 38.193 1 ATOM 1949 O OE2 . GLU 11 11 ? B -41.614 9.943 -3.126 1.000 2 B 38.193 1 ATOM 1950 N N . GLN 12 12 ? B -36.207 13.485 -4.869 1.000 2 B 46.218 1 ATOM 1951 C CA . GLN 12 12 ? B -36.245 14.827 -5.442 1.000 2 B 46.218 1 ATOM 1952 C C . GLN 12 12 ? B -35.523 14.872 -6.785 1.000 2 B 46.218 1 ATOM 1953 O O . GLN 12 12 ? B -34.350 14.505 -6.879 1.000 2 B 46.218 1 ATOM 1954 C CB . GLN 12 12 ? B -35.624 15.840 -4.478 1.000 2 B 46.218 1 ATOM 1955 C CG . GLN 12 12 ? B -35.939 17.289 -4.824 1.000 2 B 46.218 1 ATOM 1956 C CD . GLN 12 12 ? B -35.837 18.214 -3.625 1.000 2 B 46.218 1 ATOM 1957 O OE1 . GLN 12 12 ? B -35.114 17.930 -2.665 1.000 2 B 46.218 1 ATOM 1958 N NE2 . GLN 12 12 ? B -36.562 19.326 -3.671 1.000 2 B 46.218 1 ATOM 1959 N N . GLU 13 13 ? B -36.320 14.633 -7.877 1.000 2 B 34.068 1 ATOM 1960 C CA . GLU 13 13 ? B -36.892 15.420 -8.965 1.000 2 B 34.068 1 ATOM 1961 C C . GLU 13 13 ? B -35.841 15.747 -10.021 1.000 2 B 34.068 1 ATOM 1962 O O . GLU 13 13 ? B -34.745 16.207 -9.693 1.000 2 B 34.068 1 ATOM 1963 C CB . GLU 13 13 ? B -37.514 16.711 -8.425 1.000 2 B 34.068 1 ATOM 1964 C CG . GLU 13 13 ? B -38.940 16.542 -7.921 1.000 2 B 34.068 1 ATOM 1965 C CD . GLU 13 13 ? B -39.505 17.803 -7.286 1.000 2 B 34.068 1 ATOM 1966 O OE1 . GLU 13 13 ? B -40.422 18.420 -7.874 1.000 2 B 34.068 1 ATOM 1967 O OE2 . GLU 13 13 ? B -39.027 18.177 -6.192 1.000 2 B 34.068 1 ATOM 1968 N N . ASP 14 14 ? B -35.824 15.022 -11.116 1.000 2 B 37.307 1 ATOM 1969 C CA . ASP 14 14 ? B -36.106 15.336 -12.513 1.000 2 B 37.307 1 ATOM 1970 C C . ASP 14 14 ? B -35.668 16.759 -12.855 1.000 2 B 37.307 1 ATOM 1971 O O . ASP 14 14 ? B -36.236 17.728 -12.346 1.000 2 B 37.307 1 ATOM 1972 C CB . ASP 14 14 ? B -37.596 15.158 -12.813 1.000 2 B 37.307 1 ATOM 1973 C CG . ASP 14 14 ? B -37.939 13.762 -13.303 1.000 2 B 37.307 1 ATOM 1974 O OD1 . ASP 14 14 ? B -37.020 13.011 -13.696 1.000 2 B 37.307 1 ATOM 1975 O OD2 . ASP 14 14 ? B -39.139 13.411 -13.298 1.000 2 B 37.307 1 ATOM 1976 N N . SER 15 15 ? B -34.429 17.081 -13.064 1.000 2 B 39.347 1 ATOM 1977 C CA . SER 15 15 ? B -34.098 18.239 -13.888 1.000 2 B 39.347 1 ATOM 1978 C C . SER 15 15 ? B -33.461 17.814 -15.207 1.000 2 B 39.347 1 ATOM 1979 O O . SER 15 15 ? B -32.487 17.059 -15.217 1.000 2 B 39.347 1 ATOM 1980 C CB . SER 15 15 ? B -33.155 19.180 -13.137 1.000 2 B 39.347 1 ATOM 1981 O OG . SER 15 15 ? B -33.812 19.771 -12.029 1.000 2 B 39.347 1 ATOM 1982 N N . SER 16 16 ? B -34.177 17.394 -16.166 1.000 2 B 37.546 1 ATOM 1983 C CA . SER 16 16 ? B -34.397 17.799 -17.550 1.000 2 B 37.546 1 ATOM 1984 C C . SER 16 16 ? B -34.016 19.260 -17.766 1.000 2 B 37.546 1 ATOM 1985 O O . SER 16 16 ? B -34.504 20.145 -17.060 1.000 2 B 37.546 1 ATOM 1986 C CB . SER 16 16 ? B -35.858 17.581 -17.947 1.000 2 B 37.546 1 ATOM 1987 O OG . SER 16 16 ? B -36.707 18.482 -17.256 1.000 2 B 37.546 1 ATOM 1988 N N . SER 17 17 ? B -32.794 19.613 -18.148 1.000 2 B 38.345 1 ATOM 1989 C CA . SER 17 17 ? B -32.590 20.790 -18.986 1.000 2 B 38.345 1 ATOM 1990 C C . SER 17 17 ? B -31.735 20.459 -20.205 1.000 2 B 38.345 1 ATOM 1991 O O . SER 17 17 ? B -30.637 19.914 -20.070 1.000 2 B 38.345 1 ATOM 1992 C CB . SER 17 17 ? B -31.933 21.913 -18.182 1.000 2 B 38.345 1 ATOM 1993 O OG . SER 17 17 ? B -32.892 22.594 -17.393 1.000 2 B 38.345 1 ATOM 1994 N N . ALA 18 18 ? B -32.207 19.896 -21.289 1.000 2 B 33.506 1 ATOM 1995 C CA . ALA 18 18 ? B -32.450 20.356 -22.654 1.000 2 B 33.506 1 ATOM 1996 C C . ALA 18 18 ? B -31.963 21.789 -22.846 1.000 2 B 33.506 1 ATOM 1997 O O . ALA 18 18 ? B -32.178 22.645 -21.985 1.000 2 B 33.506 1 ATOM 1998 C CB . ALA 18 18 ? B -33.936 20.253 -22.993 1.000 2 B 33.506 1 ATOM 1999 N N . GLU 19 19 ? B -30.861 22.000 -23.579 1.000 2 B 33.474 1 ATOM 2000 C CA . GLU 19 19 ? B -31.007 22.854 -24.753 1.000 2 B 33.474 1 ATOM 2001 C C . GLU 19 19 ? B -30.296 24.190 -24.557 1.000 2 B 33.474 1 ATOM 2002 O O . GLU 19 19 ? B -30.596 24.926 -23.615 1.000 2 B 33.474 1 ATOM 2003 C CB . GLU 19 19 ? B -32.488 23.088 -25.067 1.000 2 B 33.474 1 ATOM 2004 C CG . GLU 19 19 ? B -32.761 23.424 -26.526 1.000 2 B 33.474 1 ATOM 2005 C CD . GLU 19 19 ? B -34.173 23.071 -26.968 1.000 2 B 33.474 1 ATOM 2006 O OE1 . GLU 19 19 ? B -34.703 23.732 -27.890 1.000 2 B 33.474 1 ATOM 2007 O OE2 . GLU 19 19 ? B -34.753 22.127 -26.387 1.000 2 B 33.474 1 ATOM 2008 N N . ARG 20 20 ? B -29.013 24.324 -24.893 1.000 2 B 40.863 1 ATOM 2009 C CA . ARG 20 20 ? B -28.585 25.590 -25.481 1.000 2 B 40.863 1 ATOM 2010 C C . ARG 20 20 ? B -27.302 25.414 -26.287 1.000 2 B 40.863 1 ATOM 2011 O O . ARG 20 20 ? B -26.313 24.881 -25.780 1.000 2 B 40.863 1 ATOM 2012 C CB . ARG 20 20 ? B -28.379 26.646 -24.392 1.000 2 B 40.863 1 ATOM 2013 C CG . ARG 20 20 ? B -28.644 28.069 -24.857 1.000 2 B 40.863 1 ATOM 2014 C CD . ARG 20 20 ? B -28.448 29.076 -23.732 1.000 2 B 40.863 1 ATOM 2015 N NE . ARG 20 20 ? B -29.522 30.064 -23.699 1.000 2 B 40.863 1 ATOM 2016 C CZ . ARG 20 20 ? B -29.691 30.969 -22.739 1.000 2 B 40.863 1 ATOM 2017 N NH1 . ARG 20 20 ? B -28.854 31.029 -21.709 1.000 2 B 40.863 1 ATOM 2018 N NH2 . ARG 20 20 ? B -30.703 31.821 -22.809 1.000 2 B 40.863 1 ATOM 2019 N N . GLY 21 21 ? B -27.311 25.089 -27.557 1.000 2 B 33.250 1 ATOM 2020 C CA . GLY 21 21 ? B -27.142 26.006 -28.673 1.000 2 B 33.250 1 ATOM 2021 C C . GLY 21 21 ? B -25.770 26.650 -28.714 1.000 2 B 33.250 1 ATOM 2022 O O . GLY 21 21 ? B -25.218 27.014 -27.673 1.000 2 B 33.250 1 ATOM 2023 N N . LEU 22 22 ? B -24.917 26.272 -29.739 1.000 2 B 33.657 1 ATOM 2024 C CA . LEU 22 22 ? B -24.464 27.023 -30.905 1.000 2 B 33.657 1 ATOM 2025 C C . LEU 22 22 ? B -23.270 27.905 -30.552 1.000 2 B 33.657 1 ATOM 2026 O O . LEU 22 22 ? B -23.358 28.746 -29.656 1.000 2 B 33.657 1 ATOM 2027 C CB . LEU 22 22 ? B -25.600 27.882 -31.464 1.000 2 B 33.657 1 ATOM 2028 C CG . LEU 22 22 ? B -26.656 27.152 -32.296 1.000 2 B 33.657 1 ATOM 2029 C CD1 . LEU 22 22 ? B -27.929 27.987 -32.388 1.000 2 B 33.657 1 ATOM 2030 C CD2 . LEU 22 22 ? B -26.117 26.834 -33.686 1.000 2 B 33.657 1 ATOM 2031 N N . GLY 23 23 ? B -22.042 27.494 -31.021 1.000 2 B 29.315 1 ATOM 2032 C CA . GLY 23 23 ? B -21.211 28.190 -31.991 1.000 2 B 29.315 1 ATOM 2033 C C . GLY 23 23 ? B -19.957 28.788 -31.381 1.000 2 B 29.315 1 ATOM 2034 O O . GLY 23 23 ? B -19.952 29.170 -30.209 1.000 2 B 29.315 1 ATOM 2035 N N . PRO 24 24 ? B -18.970 29.223 -32.331 1.000 2 B 48.551 1 ATOM 2036 C CA . PRO 24 24 ? B -17.980 28.631 -33.233 1.000 2 B 48.551 1 ATOM 2037 C C . PRO 24 24 ? B -16.543 28.939 -32.817 1.000 2 B 48.551 1 ATOM 2038 O O . PRO 24 24 ? B -16.317 29.770 -31.934 1.000 2 B 48.551 1 ATOM 2039 C CB . PRO 24 24 ? B -18.306 29.272 -34.585 1.000 2 B 48.551 1 ATOM 2040 C CG . PRO 24 24 ? B -18.748 30.661 -34.252 1.000 2 B 48.551 1 ATOM 2041 C CD . PRO 24 24 ? B -18.819 30.793 -32.757 1.000 2 B 48.551 1 ATOM 2042 N N . SER 25 25 ? B -15.567 28.046 -33.163 1.000 2 B 33.445 1 ATOM 2043 C CA . SER 25 25 ? B -14.263 28.067 -33.817 1.000 2 B 33.445 1 ATOM 2044 C C . SER 25 25 ? B -13.685 29.478 -33.854 1.000 2 B 33.445 1 ATOM 2045 O O . SER 25 25 ? B -14.362 30.420 -34.270 1.000 2 B 33.445 1 ATOM 2046 C CB . SER 25 25 ? B -14.367 27.512 -35.238 1.000 2 B 33.445 1 ATOM 2047 O OG . SER 25 25 ? B -14.593 26.113 -35.217 1.000 2 B 33.445 1 ATOM 2048 N N . PRO 26 26 ? B -12.401 29.642 -33.429 1.000 2 B 47.227 1 ATOM 2049 C CA . PRO 26 26 ? B -11.336 30.259 -34.222 1.000 2 B 47.227 1 ATOM 2050 C C . PRO 26 26 ? B -10.035 29.460 -34.186 1.000 2 B 47.227 1 ATOM 2051 O O . PRO 26 26 ? B -9.766 28.756 -33.209 1.000 2 B 47.227 1 ATOM 2052 C CB . PRO 26 26 ? B -11.154 31.629 -33.563 1.000 2 B 47.227 1 ATOM 2053 C CG . PRO 26 26 ? B -11.413 31.391 -32.110 1.000 2 B 47.227 1 ATOM 2054 C CD . PRO 26 26 ? B -11.921 29.988 -31.939 1.000 2 B 47.227 1 ATOM 2055 N N . ALA 27 27 ? B -9.635 28.814 -35.285 1.000 2 B 35.411 1 ATOM 2056 C CA . ALA 27 27 ? B -8.553 28.921 -36.260 1.000 2 B 35.411 1 ATOM 2057 C C . ALA 27 27 ? B -7.542 29.985 -35.842 1.000 2 B 35.411 1 ATOM 2058 O O . ALA 27 27 ? B -7.900 31.150 -35.651 1.000 2 B 35.411 1 ATOM 2059 C CB . ALA 27 27 ? B -9.114 29.239 -37.644 1.000 2 B 35.411 1 ATOM 2060 N N . GLY 28 28 ? B -6.391 29.660 -35.258 1.000 2 B 42.854 1 ATOM 2061 C CA . GLY 28 28 ? B -5.169 30.420 -35.473 1.000 2 B 42.854 1 ATOM 2062 C C . GLY 28 28 ? B -3.911 29.608 -35.230 1.000 2 B 42.854 1 ATOM 2063 O O . GLY 28 28 ? B -3.812 28.889 -34.233 1.000 2 B 42.854 1 ATOM 2064 N N . ASP 29 29 ? B -3.339 28.948 -36.199 1.000 2 B 37.285 1 ATOM 2065 C CA . ASP 29 29 ? B -2.066 28.896 -36.911 1.000 2 B 37.285 1 ATOM 2066 C C . ASP 29 29 ? B -1.165 30.063 -36.513 1.000 2 B 37.285 1 ATOM 2067 O O . ASP 29 29 ? B -1.578 31.223 -36.576 1.000 2 B 37.285 1 ATOM 2068 C CB . ASP 29 29 ? B -2.296 28.902 -38.424 1.000 2 B 37.285 1 ATOM 2069 C CG . ASP 29 29 ? B -2.488 27.510 -38.999 1.000 2 B 37.285 1 ATOM 2070 O OD1 . ASP 29 29 ? B -2.158 26.516 -38.317 1.000 2 B 37.285 1 ATOM 2071 O OD2 . ASP 29 29 ? B -2.972 27.406 -40.147 1.000 2 B 37.285 1 ATOM 2072 N N . GLY 30 30 ? B -0.146 29.875 -35.653 1.000 2 B 37.651 1 ATOM 2073 C CA . GLY 30 30 ? B 1.173 30.436 -35.900 1.000 2 B 37.651 1 ATOM 2074 C C . GLY 30 30 ? B 2.287 29.666 -35.215 1.000 2 B 37.651 1 ATOM 2075 O O . GLY 30 30 ? B 2.128 29.212 -34.080 1.000 2 B 37.651 1 ATOM 2076 N N . PRO 31 31 ? B 3.382 29.190 -35.866 1.000 2 B 40.147 1 ATOM 2077 C CA . PRO 31 31 ? B 4.724 28.743 -35.485 1.000 2 B 40.147 1 ATOM 2078 C C . PRO 31 31 ? B 5.725 29.892 -35.397 1.000 2 B 40.147 1 ATOM 2079 O O . PRO 31 31 ? B 5.526 30.939 -36.018 1.000 2 B 40.147 1 ATOM 2080 C CB . PRO 31 31 ? B 5.103 27.773 -36.607 1.000 2 B 40.147 1 ATOM 2081 C CG . PRO 31 31 ? B 4.435 28.319 -37.827 1.000 2 B 40.147 1 ATOM 2082 C CD . PRO 31 31 ? B 3.544 29.455 -37.415 1.000 2 B 40.147 1 ATOM 2083 N N . SER 32 32 ? B 6.479 30.053 -34.225 1.000 2 B 42.860 1 ATOM 2084 C CA . SER 32 32 ? B 7.729 30.807 -34.195 1.000 2 B 42.860 1 ATOM 2085 C C . SER 32 32 ? B 8.546 30.474 -32.951 1.000 2 B 42.860 1 ATOM 2086 O O . SER 32 32 ? B 8.013 30.452 -31.840 1.000 2 B 42.860 1 ATOM 2087 C CB . SER 32 32 ? B 7.451 32.310 -34.245 1.000 2 B 42.860 1 ATOM 2088 O OG . SER 32 32 ? B 6.945 32.685 -35.515 1.000 2 B 42.860 1 ATOM 2089 N N . GLY 33 33 ? B 9.608 29.647 -33.055 1.000 2 B 32.860 1 ATOM 2090 C CA . GLY 33 33 ? B 11.002 30.045 -33.168 1.000 2 B 32.860 1 ATOM 2091 C C . GLY 33 33 ? B 11.623 30.428 -31.838 1.000 2 B 32.860 1 ATOM 2092 O O . GLY 33 33 ? B 10.973 31.059 -31.002 1.000 2 B 32.860 1 ATOM 2093 N N . SER 34 34 ? B 12.607 29.646 -31.409 1.000 2 B 34.926 1 ATOM 2094 C CA . SER 34 34 ? B 14.059 29.758 -31.310 1.000 2 B 34.926 1 ATOM 2095 C C . SER 34 34 ? B 14.463 30.756 -30.229 1.000 2 B 34.926 1 ATOM 2096 O O . SER 34 34 ? B 14.029 31.910 -30.248 1.000 2 B 34.926 1 ATOM 2097 C CB . SER 34 34 ? B 14.657 30.179 -32.653 1.000 2 B 34.926 1 ATOM 2098 O OG . SER 34 34 ? B 14.446 31.560 -32.888 1.000 2 B 34.926 1 ATOM 2099 N N . GLY 35 35 ? B 14.825 30.361 -29.013 1.000 2 B 37.430 1 ATOM 2100 C CA . GLY 35 35 ? B 15.841 31.187 -28.381 1.000 2 B 37.430 1 ATOM 2101 C C . GLY 35 35 ? B 16.559 30.485 -27.244 1.000 2 B 37.430 1 ATOM 2102 O O . GLY 35 35 ? B 15.939 29.754 -26.469 1.000 2 B 37.430 1 ATOM 2103 N N . LYS 36 36 ? B 17.781 29.916 -27.491 1.000 2 B 37.578 1 ATOM 2104 C CA . LYS 36 36 ? B 19.141 30.289 -27.114 1.000 2 B 37.578 1 ATOM 2105 C C . LYS 36 36 ? B 19.425 29.935 -25.658 1.000 2 B 37.578 1 ATOM 2106 O O . LYS 36 36 ? B 18.625 30.243 -24.771 1.000 2 B 37.578 1 ATOM 2107 C CB . LYS 36 36 ? B 19.371 31.784 -27.344 1.000 2 B 37.578 1 ATOM 2108 C CG . LYS 36 36 ? B 19.839 32.129 -28.750 1.000 2 B 37.578 1 ATOM 2109 C CD . LYS 36 36 ? B 20.027 33.630 -28.924 1.000 2 B 37.578 1 ATOM 2110 C CE . LYS 36 36 ? B 20.451 33.981 -30.344 1.000 2 B 37.578 1 ATOM 2111 N NZ . LYS 36 36 ? B 20.749 35.437 -30.489 1.000 2 B 37.578 1 ATOM 2112 N N . HIS 37 37 ? B 20.243 28.922 -25.296 1.000 2 B 30.870 1 ATOM 2113 C CA . HIS 37 37 ? B 21.584 28.713 -24.763 1.000 2 B 30.870 1 ATOM 2114 C C . HIS 37 37 ? B 21.808 29.534 -23.498 1.000 2 B 30.870 1 ATOM 2115 O O . HIS 37 37 ? B 21.750 30.765 -23.533 1.000 2 B 30.870 1 ATOM 2116 C CB . HIS 37 37 ? B 22.640 29.066 -25.812 1.000 2 B 30.870 1 ATOM 2117 C CG . HIS 37 37 ? B 22.866 27.986 -26.822 1.000 2 B 30.870 1 ATOM 2118 N ND1 . HIS 37 37 ? B 23.363 26.746 -26.487 1.000 2 B 30.870 1 ATOM 2119 C CD2 . HIS 37 37 ? B 22.659 27.963 -28.160 1.000 2 B 30.870 1 ATOM 2120 C CE1 . HIS 37 37 ? B 23.453 26.004 -27.578 1.000 2 B 30.870 1 ATOM 2121 N NE2 . HIS 37 37 ? B 23.032 26.720 -28.607 1.000 2 B 30.870 1 ATOM 2122 N N . HIS 38 38 ? B 21.644 29.029 -22.316 1.000 2 B 37.961 1 ATOM 2123 C CA . HIS 38 38 ? B 22.551 29.377 -21.228 1.000 2 B 37.961 1 ATOM 2124 C C . HIS 38 38 ? B 23.075 28.129 -20.526 1.000 2 B 37.961 1 ATOM 2125 O O . HIS 38 38 ? B 22.292 27.297 -20.064 1.000 2 B 37.961 1 ATOM 2126 C CB . HIS 38 38 ? B 21.852 30.292 -20.220 1.000 2 B 37.961 1 ATOM 2127 C CG . HIS 38 38 ? B 22.278 31.723 -20.313 1.000 2 B 37.961 1 ATOM 2128 N ND1 . HIS 38 38 ? B 23.350 32.132 -21.074 1.000 2 B 37.961 1 ATOM 2129 C CD2 . HIS 38 38 ? B 21.771 32.840 -19.740 1.000 2 B 37.961 1 ATOM 2130 C CE1 . HIS 38 38 ? B 23.486 33.443 -20.965 1.000 2 B 37.961 1 ATOM 2131 N NE2 . HIS 38 38 ? B 22.540 33.897 -20.160 1.000 2 B 37.961 1 ATOM 2132 N N . ARG 39 39 ? B 24.094 27.440 -21.012 1.000 2 B 33.097 1 ATOM 2133 C CA . ARG 39 39 ? B 25.462 27.095 -20.637 1.000 2 B 33.097 1 ATOM 2134 C C . ARG 39 39 ? B 25.939 27.946 -19.465 1.000 2 B 33.097 1 ATOM 2135 O O . ARG 39 39 ? B 25.962 29.175 -19.552 1.000 2 B 33.097 1 ATOM 2136 C CB . ARG 39 39 ? B 26.406 27.268 -21.829 1.000 2 B 33.097 1 ATOM 2137 C CG . ARG 39 39 ? B 27.677 26.439 -21.733 1.000 2 B 33.097 1 ATOM 2138 C CD . ARG 39 39 ? B 28.555 26.610 -22.965 1.000 2 B 33.097 1 ATOM 2139 N NE . ARG 39 39 ? B 29.729 25.743 -22.913 1.000 2 B 33.097 1 ATOM 2140 C CZ . ARG 39 39 ? B 30.634 25.633 -23.882 1.000 2 B 33.097 1 ATOM 2141 N NH1 . ARG 39 39 ? B 30.516 26.338 -25.002 1.000 2 B 33.097 1 ATOM 2142 N NH2 . ARG 39 39 ? B 31.664 24.814 -23.731 1.000 2 B 33.097 1 ATOM 2143 N N . GLN 40 40 ? B 25.874 27.485 -18.229 1.000 2 B 39.014 1 ATOM 2144 C CA . GLN 40 40 ? B 26.881 27.805 -17.223 1.000 2 B 39.014 1 ATOM 2145 C C . GLN 40 40 ? B 27.204 26.586 -16.362 1.000 2 B 39.014 1 ATOM 2146 O O . GLN 40 40 ? B 26.303 25.961 -15.799 1.000 2 B 39.014 1 ATOM 2147 C CB . GLN 40 40 ? B 26.410 28.961 -16.340 1.000 2 B 39.014 1 ATOM 2148 C CG . GLN 40 40 ? B 26.891 30.328 -16.808 1.000 2 B 39.014 1 ATOM 2149 C CD . GLN 40 40 ? B 26.500 31.445 -15.858 1.000 2 B 39.014 1 ATOM 2150 O OE1 . GLN 40 40 ? B 25.607 31.281 -15.021 1.000 2 B 39.014 1 ATOM 2151 N NE2 . GLN 40 40 ? B 27.165 32.589 -15.982 1.000 2 B 39.014 1 ATOM 2152 N N . ALA 41 41 ? B 28.117 25.732 -16.720 1.000 2 B 31.212 1 ATOM 2153 C CA . ALA 41 41 ? B 29.211 25.073 -16.012 1.000 2 B 31.212 1 ATOM 2154 C C . ALA 41 41 ? B 30.357 26.045 -15.748 1.000 2 B 31.212 1 ATOM 2155 O O . ALA 41 41 ? B 30.660 26.900 -16.583 1.000 2 B 31.212 1 ATOM 2156 C CB . ALA 41 41 ? B 29.711 23.870 -16.808 1.000 2 B 31.212 1 ATOM 2157 N N . PRO 42 42 ? B 31.364 25.805 -14.746 1.000 2 B 45.873 1 ATOM 2158 C CA . PRO 42 42 ? B 31.813 25.200 -13.489 1.000 2 B 45.873 1 ATOM 2159 C C . PRO 42 42 ? B 32.671 26.147 -12.653 1.000 2 B 45.873 1 ATOM 2160 O O . PRO 42 42 ? B 33.395 26.980 -13.204 1.000 2 B 45.873 1 ATOM 2161 C CB . PRO 42 42 ? B 32.628 23.990 -13.951 1.000 2 B 45.873 1 ATOM 2162 C CG . PRO 42 42 ? B 33.243 24.415 -15.245 1.000 2 B 45.873 1 ATOM 2163 C CD . PRO 42 42 ? B 32.756 25.797 -15.574 1.000 2 B 45.873 1 ATOM 2164 N N . GLY 43 43 ? B 32.510 26.154 -11.275 1.000 2 B 42.560 1 ATOM 2165 C CA . GLY 43 43 ? B 33.653 26.469 -10.433 1.000 2 B 42.560 1 ATOM 2166 C C . GLY 43 43 ? B 33.558 25.862 -9.046 1.000 2 B 42.560 1 ATOM 2167 O O . GLY 43 43 ? B 32.479 25.826 -8.452 1.000 2 B 42.560 1 ATOM 2168 N N . LEU 44 44 ? B 34.148 24.685 -8.730 1.000 2 B 34.146 1 ATOM 2169 C CA . LEU 44 44 ? B 35.363 24.360 -7.991 1.000 2 B 34.146 1 ATOM 2170 C C . LEU 44 44 ? B 35.555 25.311 -6.814 1.000 2 B 34.146 1 ATOM 2171 O O . LEU 44 44 ? B 35.513 26.532 -6.985 1.000 2 B 34.146 1 ATOM 2172 C CB . LEU 44 44 ? B 36.584 24.418 -8.913 1.000 2 B 34.146 1 ATOM 2173 C CG . LEU 44 44 ? B 36.976 23.111 -9.602 1.000 2 B 34.146 1 ATOM 2174 C CD1 . LEU 44 44 ? B 37.600 23.395 -10.964 1.000 2 B 34.146 1 ATOM 2175 C CD2 . LEU 44 44 ? B 37.935 22.311 -8.726 1.000 2 B 34.146 1 ATOM 2176 N N . LEU 45 45 ? B 35.487 24.812 -5.522 1.000 2 B 30.766 1 ATOM 2177 C CA . LEU 45 45 ? B 36.649 24.888 -4.644 1.000 2 B 30.766 1 ATOM 2178 C C . LEU 45 45 ? B 36.333 25.704 -3.394 1.000 2 B 30.766 1 ATOM 2179 O O . LEU 45 45 ? B 35.932 26.866 -3.491 1.000 2 B 30.766 1 ATOM 2180 C CB . LEU 45 45 ? B 37.840 25.504 -5.382 1.000 2 B 30.766 1 ATOM 2181 C CG . LEU 45 45 ? B 39.220 24.954 -5.021 1.000 2 B 30.766 1 ATOM 2182 C CD1 . LEU 45 45 ? B 39.658 23.908 -6.041 1.000 2 B 30.766 1 ATOM 2183 C CD2 . LEU 45 45 ? B 40.241 26.083 -4.933 1.000 2 B 30.766 1 ATOM 2184 N N . TRP 46 46 ? B 36.166 25.015 -2.203 1.000 2 B 29.438 1 ATOM 2185 C CA . TRP 46 46 ? B 37.010 24.957 -1.014 1.000 2 B 29.438 1 ATOM 2186 C C . TRP 46 46 ? B 36.495 25.902 0.066 1.000 2 B 29.438 1 ATOM 2187 O O . TRP 46 46 ? B 36.185 27.063 -0.213 1.000 2 B 29.438 1 ATOM 2188 C CB . TRP 46 46 ? B 38.459 25.303 -1.365 1.000 2 B 29.438 1 ATOM 2189 C CG . TRP 46 46 ? B 39.291 25.711 -0.186 1.000 2 B 29.438 1 ATOM 2190 C CD1 . TRP 46 46 ? B 39.438 26.971 0.322 1.000 2 B 29.438 1 ATOM 2191 C CD2 . TRP 46 46 ? B 40.095 24.852 0.628 1.000 2 B 29.438 1 ATOM 2192 N NE1 . TRP 46 46 ? B 40.286 26.948 1.406 1.000 2 B 29.438 1 ATOM 2193 C CE2 . TRP 46 46 ? B 40.702 25.661 1.615 1.000 2 B 29.438 1 ATOM 2194 C CE3 . TRP 46 46 ? B 40.361 23.476 0.621 1.000 2 B 29.438 1 ATOM 2195 C CZ2 . TRP 46 46 ? B 41.560 25.137 2.585 1.000 2 B 29.438 1 ATOM 2196 C CZ3 . TRP 46 46 ? B 41.215 22.958 1.587 1.000 2 B 29.438 1 ATOM 2197 C CH2 . TRP 46 46 ? B 41.803 23.788 2.555 1.000 2 B 29.438 1 ATOM 2198 N N . ASP 47 47 ? B 36.192 25.336 1.264 1.000 2 B 33.175 1 ATOM 2199 C CA . ASP 47 47 ? B 36.917 25.345 2.531 1.000 2 B 33.175 1 ATOM 2200 C C . ASP 47 47 ? B 36.339 26.385 3.488 1.000 2 B 33.175 1 ATOM 2201 O O . ASP 47 47 ? B 36.143 27.542 3.111 1.000 2 B 33.175 1 ATOM 2202 C CB . ASP 47 47 ? B 38.405 25.617 2.296 1.000 2 B 33.175 1 ATOM 2203 C CG . ASP 47 47 ? B 39.295 24.471 2.746 1.000 2 B 33.175 1 ATOM 2204 O OD1 . ASP 47 47 ? B 38.786 23.506 3.356 1.000 2 B 33.175 1 ATOM 2205 O OD2 . ASP 47 47 ? B 40.517 24.536 2.491 1.000 2 B 33.175 1 ATOM 2206 N N . ALA 48 48 ? B 35.865 25.904 4.598 1.000 2 B 31.395 1 ATOM 2207 C CA . ALA 48 48 ? B 36.433 26.086 5.931 1.000 2 B 31.395 1 ATOM 2208 C C . ALA 48 48 ? B 35.598 27.062 6.754 1.000 2 B 31.395 1 ATOM 2209 O O . ALA 48 48 ? B 35.242 28.142 6.276 1.000 2 B 31.395 1 ATOM 2210 C CB . ALA 48 48 ? B 37.875 26.577 5.832 1.000 2 B 31.395 1 ATOM 2211 N N . SER 49 49 ? B 34.911 26.553 7.807 1.000 2 B 29.220 1 ATOM 2212 C CA . SER 49 49 ? B 35.128 26.807 9.227 1.000 2 B 29.220 1 ATOM 2213 C C . SER 49 49 ? B 34.334 28.021 9.699 1.000 2 B 29.220 1 ATOM 2214 O O . SER 49 49 ? B 34.484 29.117 9.155 1.000 2 B 29.220 1 ATOM 2215 C CB . SER 49 49 ? B 36.616 27.018 9.513 1.000 2 B 29.220 1 ATOM 2216 O OG . SER 49 49 ? B 37.344 25.822 9.295 1.000 2 B 29.220 1 ATOM 2217 N N . HIS 50 50 ? B 33.199 27.872 10.326 1.000 2 B 41.710 1 ATOM 2218 C CA . HIS 50 50 ? B 32.860 28.728 11.457 1.000 2 B 41.710 1 ATOM 2219 C C . HIS 50 50 ? B 31.895 28.027 12.408 1.000 2 B 41.710 1 ATOM 2220 O O . HIS 50 50 ? B 30.928 27.402 11.968 1.000 2 B 41.710 1 ATOM 2221 C CB . HIS 50 50 ? B 32.253 30.045 10.970 1.000 2 B 41.710 1 ATOM 2222 C CG . HIS 50 50 ? B 33.258 30.996 10.403 1.000 2 B 41.710 1 ATOM 2223 N ND1 . HIS 50 50 ? B 34.332 31.463 11.129 1.000 2 B 41.710 1 ATOM 2224 C CD2 . HIS 50 50 ? B 33.352 31.564 9.178 1.000 2 B 41.710 1 ATOM 2225 C CE1 . HIS 50 50 ? B 35.045 32.280 10.372 1.000 2 B 41.710 1 ATOM 2226 N NE2 . HIS 50 50 ? B 34.472 32.359 9.184 1.000 2 B 41.710 1 ATOM 2227 N N . GLN 51 51 ? B 32.390 27.346 13.507 1.000 2 B 32.949 1 ATOM 2228 C CA . GLN 51 51 ? B 32.383 27.674 14.929 1.000 2 B 32.949 1 ATOM 2229 C C . GLN 51 51 ? B 30.966 27.637 15.494 1.000 2 B 32.949 1 ATOM 2230 O O . GLN 51 51 ? B 30.063 28.288 14.965 1.000 2 B 32.949 1 ATOM 2231 C CB . GLN 51 51 ? B 33.007 29.050 15.167 1.000 2 B 32.949 1 ATOM 2232 C CG . GLN 51 51 ? B 34.516 29.014 15.369 1.000 2 B 32.949 1 ATOM 2233 C CD . GLN 51 51 ? B 34.973 29.874 16.533 1.000 2 B 32.949 1 ATOM 2234 O OE1 . GLN 51 51 ? B 34.155 30.363 17.319 1.000 2 B 32.949 1 ATOM 2235 N NE2 . GLN 51 51 ? B 36.282 30.065 16.651 1.000 2 B 32.949 1 ATOM 2236 N N . GLN 52 52 ? B 30.623 26.616 16.204 1.000 2 B 30.652 1 ATOM 2237 C CA . GLN 52 52 ? B 30.663 26.482 17.656 1.000 2 B 30.652 1 ATOM 2238 C C . GLN 52 52 ? B 30.319 27.802 18.340 1.000 2 B 30.652 1 ATOM 2239 O O . GLN 52 52 ? B 30.933 28.833 18.056 1.000 2 B 30.652 1 ATOM 2240 C CB . GLN 52 52 ? B 32.040 25.997 18.113 1.000 2 B 30.652 1 ATOM 2241 C CG . GLN 52 52 ? B 32.073 25.513 19.556 1.000 2 B 30.652 1 ATOM 2242 C CD . GLN 52 52 ? B 33.299 24.674 19.866 1.000 2 B 30.652 1 ATOM 2243 O OE1 . GLN 52 52 ? B 33.900 24.074 18.969 1.000 2 B 30.652 1 ATOM 2244 N NE2 . GLN 52 52 ? B 33.678 24.625 21.138 1.000 2 B 30.652 1 ATOM 2245 N N . GLU 53 53 ? B 29.090 27.933 18.993 1.000 2 B 32.693 1 ATOM 2246 C CA . GLU 53 53 ? B 28.930 28.505 20.327 1.000 2 B 32.693 1 ATOM 2247 C C . GLU 53 53 ? B 27.459 28.739 20.655 1.000 2 B 32.693 1 ATOM 2248 O O . GLU 53 53 ? B 26.727 29.331 19.859 1.000 2 B 32.693 1 ATOM 2249 C CB . GLU 53 53 ? B 29.711 29.816 20.448 1.000 2 B 32.693 1 ATOM 2250 C CG . GLU 53 53 ? B 31.132 29.640 20.964 1.000 2 B 32.693 1 ATOM 2251 C CD . GLU 53 53 ? B 31.831 30.958 21.258 1.000 2 B 32.693 1 ATOM 2252 O OE1 . GLU 53 53 ? B 32.042 31.280 22.450 1.000 2 B 32.693 1 ATOM 2253 O OE2 . GLU 53 53 ? B 32.169 31.675 20.290 1.000 2 B 32.693 1 ATOM 2254 N N . GLN 54 54 ? B 26.819 27.877 21.466 1.000 2 B 35.507 1 ATOM 2255 C CA . GLN 54 54 ? B 26.451 27.986 22.874 1.000 2 B 35.507 1 ATOM 2256 C C . GLN 54 54 ? B 24.965 28.298 23.031 1.000 2 B 35.507 1 ATOM 2257 O O . GLN 54 54 ? B 24.454 29.235 22.414 1.000 2 B 35.507 1 ATOM 2258 C CB . GLN 54 54 ? B 27.290 29.060 23.568 1.000 2 B 35.507 1 ATOM 2259 C CG . GLN 54 54 ? B 27.907 28.604 24.883 1.000 2 B 35.507 1 ATOM 2260 C CD . GLN 54 54 ? B 28.849 29.635 25.477 1.000 2 B 35.507 1 ATOM 2261 O OE1 . GLN 54 54 ? B 29.724 30.167 24.787 1.000 2 B 35.507 1 ATOM 2262 N NE2 . GLN 54 54 ? B 28.678 29.922 26.763 1.000 2 B 35.507 1 ATOM 2263 N N . PRO 55 55 ? B 24.220 27.655 23.963 1.000 2 B 42.202 1 ATOM 2264 C CA . PRO 55 55 ? B 22.951 27.676 24.695 1.000 2 B 42.202 1 ATOM 2265 C C . PRO 55 55 ? B 22.972 28.632 25.885 1.000 2 B 42.202 1 ATOM 2266 O O . PRO 55 55 ? B 23.980 28.722 26.592 1.000 2 B 42.202 1 ATOM 2267 C CB . PRO 55 55 ? B 22.789 26.227 25.161 1.000 2 B 42.202 1 ATOM 2268 C CG . PRO 55 55 ? B 24.167 25.650 25.102 1.000 2 B 42.202 1 ATOM 2269 C CD . PRO 55 55 ? B 25.110 26.717 24.623 1.000 2 B 42.202 1 ATOM 2270 N N . THR 56 56 ? B 22.136 29.675 25.965 1.000 2 B 40.341 1 ATOM 2271 C CA . THR 56 56 ? B 21.738 30.401 27.166 1.000 2 B 40.341 1 ATOM 2272 C C . THR 56 56 ? B 20.221 30.376 27.335 1.000 2 B 40.341 1 ATOM 2273 O O . THR 56 56 ? B 19.481 30.633 26.384 1.000 2 B 40.341 1 ATOM 2274 C CB . THR 56 56 ? B 22.228 31.860 27.125 1.000 2 B 40.341 1 ATOM 2275 O OG1 . THR 56 56 ? B 21.916 32.427 25.846 1.000 2 B 40.341 1 ATOM 2276 C CG2 . THR 56 56 ? B 23.734 31.941 27.349 1.000 2 B 40.341 1 ATOM 2277 N N . SER 57 57 ? B 19.619 29.493 28.056 1.000 2 B 29.940 1 ATOM 2278 C CA . SER 57 57 ? B 18.874 29.518 29.310 1.000 2 B 29.940 1 ATOM 2279 C C . SER 57 57 ? B 18.773 30.935 29.865 1.000 2 B 29.940 1 ATOM 2280 O O . SER 57 57 ? B 19.755 31.680 29.862 1.000 2 B 29.940 1 ATOM 2281 C CB . SER 57 57 ? B 19.534 28.604 30.343 1.000 2 B 29.940 1 ATOM 2282 O OG . SER 57 57 ? B 20.793 29.119 30.740 1.000 2 B 29.940 1 ATOM 2283 N N . SER 58 58 ? B 17.519 31.583 29.832 1.000 2 B 39.060 1 ATOM 2284 C CA . SER 58 58 ? B 17.154 32.429 30.964 1.000 2 B 39.060 1 ATOM 2285 C C . SER 58 58 ? B 15.840 33.159 30.707 1.000 2 B 39.060 1 ATOM 2286 O O . SER 58 58 ? B 15.641 33.732 29.635 1.000 2 B 39.060 1 ATOM 2287 C CB . SER 58 58 ? B 18.261 33.443 31.254 1.000 2 B 39.060 1 ATOM 2288 O OG . SER 58 58 ? B 17.894 34.734 30.797 1.000 2 B 39.060 1 ATOM 2289 N N . SER 59 59 ? B 14.659 32.789 31.313 1.000 2 B 37.800 1 ATOM 2290 C CA . SER 59 59 ? B 13.961 33.690 32.225 1.000 2 B 37.800 1 ATOM 2291 C C . SER 59 59 ? B 12.529 33.226 32.471 1.000 2 B 37.800 1 ATOM 2292 O O . SER 59 59 ? B 11.811 32.884 31.528 1.000 2 B 37.800 1 ATOM 2293 C CB . SER 59 59 ? B 13.956 35.115 31.672 1.000 2 B 37.800 1 ATOM 2294 O OG . SER 59 59 ? B 12.929 35.885 32.274 1.000 2 B 37.800 1 ATOM 2295 N N . HIS 60 60 ? B 12.250 32.515 33.596 1.000 2 B 35.776 1 ATOM 2296 C CA . HIS 60 60 ? B 11.616 32.673 34.900 1.000 2 B 35.776 1 ATOM 2297 C C . HIS 60 60 ? B 10.314 33.459 34.787 1.000 2 B 35.776 1 ATOM 2298 O O . HIS 60 60 ? B 10.281 34.529 34.174 1.000 2 B 35.776 1 ATOM 2299 C CB . HIS 60 60 ? B 12.566 33.367 35.878 1.000 2 B 35.776 1 ATOM 2300 C CG . HIS 60 60 ? B 13.575 32.448 36.489 1.000 2 B 35.776 1 ATOM 2301 N ND1 . HIS 60 60 ? B 13.221 31.352 37.246 1.000 2 B 35.776 1 ATOM 2302 C CD2 . HIS 60 60 ? B 14.928 32.462 36.451 1.000 2 B 35.776 1 ATOM 2303 C CE1 . HIS 60 60 ? B 14.317 30.731 37.649 1.000 2 B 35.776 1 ATOM 2304 N NE2 . HIS 60 60 ? B 15.366 31.384 37.180 1.000 2 B 35.776 1 ATOM 2305 N N . HIS 61 61 ? B 9.138 32.815 34.866 1.000 2 B 28.636 1 ATOM 2306 C CA . HIS 61 61 ? B 7.961 32.514 35.672 1.000 2 B 28.636 1 ATOM 2307 C C . HIS 61 61 ? B 7.917 33.378 36.928 1.000 2 B 28.636 1 ATOM 2308 O O . HIS 61 61 ? B 8.904 33.462 37.663 1.000 2 B 28.636 1 ATOM 2309 C CB . HIS 61 61 ? B 7.937 31.033 36.053 1.000 2 B 28.636 1 ATOM 2310 C CG . HIS 61 61 ? B 7.226 30.169 35.061 1.000 2 B 28.636 1 ATOM 2311 N ND1 . HIS 61 61 ? B 5.941 30.428 34.635 1.000 2 B 28.636 1 ATOM 2312 C CD2 . HIS 61 61 ? B 7.624 29.052 34.408 1.000 2 B 28.636 1 ATOM 2313 C CE1 . HIS 61 61 ? B 5.578 29.503 33.762 1.000 2 B 28.636 1 ATOM 2314 N NE2 . HIS 61 61 ? B 6.582 28.657 33.606 1.000 2 B 28.636 1 ATOM 2315 N N . GLY 62 62 ? B 7.197 34.513 36.944 1.000 2 B 33.189 1 ATOM 2316 C CA . GLY 62 62 ? B 6.624 34.985 38.195 1.000 2 B 33.189 1 ATOM 2317 C C . GLY 62 62 ? B 5.796 36.246 38.033 1.000 2 B 33.189 1 ATOM 2318 O O . GLY 62 62 ? B 6.256 37.225 37.441 1.000 2 B 33.189 1 ATOM 2319 N N . GLY 63 63 ? B 4.454 36.145 38.021 1.000 2 B 37.749 1 ATOM 2320 C CA . GLY 63 63 ? B 3.737 37.001 38.952 1.000 2 B 37.749 1 ATOM 2321 C C . GLY 63 63 ? B 2.312 37.293 38.519 1.000 2 B 37.749 1 ATOM 2322 O O . GLY 63 63 ? B 2.052 37.519 37.336 1.000 2 B 37.749 1 ATOM 2323 N N . ALA 64 64 ? B 1.294 36.612 39.036 1.000 2 B 35.321 1 ATOM 2324 C CA . ALA 64 64 ? B 0.089 36.791 39.842 1.000 2 B 35.321 1 ATOM 2325 C C . ALA 64 64 ? B -0.260 38.270 39.987 1.000 2 B 35.321 1 ATOM 2326 O O . ALA 64 64 ? B 0.542 39.055 40.499 1.000 2 B 35.321 1 ATOM 2327 C CB . ALA 64 64 ? B 0.270 36.153 41.217 1.000 2 B 35.321 1 ATOM 2328 N N . GLY 65 65 ? B -1.111 38.853 39.129 1.000 2 B 39.863 1 ATOM 2329 C CA . GLY 65 65 ? B -1.955 39.974 39.511 1.000 2 B 39.863 1 ATOM 2330 C C . GLY 65 65 ? B -2.931 40.383 38.424 1.000 2 B 39.863 1 ATOM 2331 O O . GLY 65 65 ? B -2.608 40.319 37.236 1.000 2 B 39.863 1 ATOM 2332 N N . ALA 66 66 ? B -4.250 40.035 38.465 1.000 2 B 37.616 1 ATOM 2333 C CA . ALA 66 66 ? B -5.428 40.857 38.729 1.000 2 B 37.616 1 ATOM 2334 C C . ALA 66 66 ? B -5.737 41.769 37.545 1.000 2 B 37.616 1 ATOM 2335 O O . ALA 66 66 ? B -4.842 42.429 37.012 1.000 2 B 37.616 1 ATOM 2336 C CB . ALA 66 66 ? B -5.227 41.684 39.996 1.000 2 B 37.616 1 ATOM 2337 N N . VAL 67 67 ? B -6.781 41.504 36.655 1.000 2 B 35.340 1 ATOM 2338 C CA . VAL 67 67 ? B -7.983 42.135 36.118 1.000 2 B 35.340 1 ATOM 2339 C C . VAL 67 67 ? B -7.598 43.356 35.286 1.000 2 B 35.340 1 ATOM 2340 O O . VAL 67 67 ? B -6.867 44.231 35.756 1.000 2 B 35.340 1 ATOM 2341 C CB . VAL 67 67 ? B -8.960 42.543 37.243 1.000 2 B 35.340 1 ATOM 2342 C CG1 . VAL 67 67 ? B -10.248 43.119 36.656 1.000 2 B 35.340 1 ATOM 2343 C CG2 . VAL 67 67 ? B -9.267 41.348 38.143 1.000 2 B 35.340 1 ATOM 2344 N N . GLU 68 68 ? B -7.698 43.333 33.856 1.000 2 B 38.277 1 ATOM 2345 C CA . GLU 68 68 ? B -8.282 44.411 33.063 1.000 2 B 38.277 1 ATOM 2346 C C . GLU 68 68 ? B -8.558 43.956 31.633 1.000 2 B 38.277 1 ATOM 2347 O O . GLU 68 68 ? B -7.663 43.451 30.953 1.000 2 B 38.277 1 ATOM 2348 C CB . GLU 68 68 ? B -7.363 45.635 33.058 1.000 2 B 38.277 1 ATOM 2349 C CG . GLU 68 68 ? B -8.087 46.948 33.316 1.000 2 B 38.277 1 ATOM 2350 C CD . GLU 68 68 ? B -7.143 48.122 33.526 1.000 2 B 38.277 1 ATOM 2351 O OE1 . GLU 68 68 ? B -7.624 49.250 33.779 1.000 2 B 38.277 1 ATOM 2352 O OE2 . GLU 68 68 ? B -5.913 47.912 33.436 1.000 2 B 38.277 1 ATOM 2353 N N . ILE 69 69 ? B -9.748 43.510 31.258 1.000 2 B 33.916 1 ATOM 2354 C CA . ILE 69 69 ? B -10.721 43.815 30.215 1.000 2 B 33.916 1 ATOM 2355 C C . ILE 69 69 ? B -10.628 45.291 29.837 1.000 2 B 33.916 1 ATOM 2356 O O . ILE 69 69 ? B -10.704 46.166 30.703 1.000 2 B 33.916 1 ATOM 2357 C CB . ILE 69 69 ? B -12.158 43.466 30.663 1.000 2 B 33.916 1 ATOM 2358 C CG1 . ILE 69 69 ? B -12.236 42.003 31.114 1.000 2 B 33.916 1 ATOM 2359 C CG2 . ILE 69 69 ? B -13.158 43.746 29.538 1.000 2 B 33.916 1 ATOM 2360 C CD1 . ILE 69 69 ? B -13.571 41.616 31.734 1.000 2 B 33.916 1 ATOM 2361 N N . ARG 70 70 ? B -9.985 45.728 28.696 1.000 2 B 42.672 1 ATOM 2362 C CA . ARG 70 70 ? B -10.379 46.859 27.862 1.000 2 B 42.672 1 ATOM 2363 C C . ARG 70 70 ? B -9.317 47.159 26.809 1.000 2 B 42.672 1 ATOM 2364 O O . ARG 70 70 ? B -8.128 47.235 27.123 1.000 2 B 42.672 1 ATOM 2365 C CB . ARG 70 70 ? B -10.628 48.100 28.722 1.000 2 B 42.672 1 ATOM 2366 C CG . ARG 70 70 ? B -11.406 49.196 28.010 1.000 2 B 42.672 1 ATOM 2367 C CD . ARG 70 70 ? B -11.715 50.362 28.939 1.000 2 B 42.672 1 ATOM 2368 N NE . ARG 70 70 ? B -12.712 51.261 28.362 1.000 2 B 42.672 1 ATOM 2369 C CZ . ARG 70 70 ? B -13.493 52.077 29.064 1.000 2 B 42.672 1 ATOM 2370 N NH1 . ARG 70 70 ? B -13.408 52.124 30.389 1.000 2 B 42.672 1 ATOM 2371 N NH2 . ARG 70 70 ? B -14.365 52.852 28.437 1.000 2 B 42.672 1 ATOM 2372 N N . SER 71 71 ? B -9.561 47.046 25.502 1.000 2 B 38.515 1 ATOM 2373 C CA . SER 71 71 ? B -9.794 47.808 24.279 1.000 2 B 38.515 1 ATOM 2374 C C . SER 71 71 ? B -8.567 48.628 23.896 1.000 2 B 38.515 1 ATOM 2375 O O . SER 71 71 ? B -8.059 49.409 24.704 1.000 2 B 38.515 1 ATOM 2376 C CB . SER 71 71 ? B -11.003 48.730 24.444 1.000 2 B 38.515 1 ATOM 2377 O OG . SER 71 71 ? B -12.204 47.980 24.496 1.000 2 B 38.515 1 ATOM 2378 N N . ARG 72 72 ? B -7.828 48.247 22.822 1.000 2 B 43.347 1 ATOM 2379 C CA . ARG 72 72 ? B -7.145 49.266 22.031 1.000 2 B 43.347 1 ATOM 2380 C C . ARG 72 72 ? B -6.622 48.684 20.722 1.000 2 B 43.347 1 ATOM 2381 O O . ARG 72 72 ? B -5.765 47.797 20.729 1.000 2 B 43.347 1 ATOM 2382 C CB . ARG 72 72 ? B -5.992 49.882 22.828 1.000 2 B 43.347 1 ATOM 2383 C CG . ARG 72 72 ? B -6.431 50.941 23.827 1.000 2 B 43.347 1 ATOM 2384 C CD . ARG 72 72 ? B -5.240 51.655 24.451 1.000 2 B 43.347 1 ATOM 2385 N NE . ARG 72 72 ? B -5.661 52.627 25.456 1.000 2 B 43.347 1 ATOM 2386 C CZ . ARG 72 72 ? B -5.140 53.842 25.601 1.000 2 B 43.347 1 ATOM 2387 N NH1 . ARG 72 72 ? B -4.163 54.260 24.803 1.000 2 B 43.347 1 ATOM 2388 N NH2 . ARG 72 72 ? B -5.598 54.645 26.549 1.000 2 B 43.347 1 ATOM 2389 N N . HIS 73 73 ? B -7.408 48.542 19.683 1.000 2 B 43.904 1 ATOM 2390 C CA . HIS 73 73 ? B -6.795 49.104 18.486 1.000 2 B 43.904 1 ATOM 2391 C C . HIS 73 73 ? B -7.824 49.296 17.377 1.000 2 B 43.904 1 ATOM 2392 O O . HIS 73 73 ? B -8.360 48.321 16.846 1.000 2 B 43.904 1 ATOM 2393 C CB . HIS 73 73 ? B -5.657 48.207 17.995 1.000 2 B 43.904 1 ATOM 2394 C CG . HIS 73 73 ? B -4.362 48.435 18.709 1.000 2 B 43.904 1 ATOM 2395 N ND1 . HIS 73 73 ? B -3.512 49.473 18.395 1.000 2 B 43.904 1 ATOM 2396 C CD2 . HIS 73 73 ? B -3.776 47.759 19.726 1.000 2 B 43.904 1 ATOM 2397 C CE1 . HIS 73 73 ? B -2.455 49.424 19.189 1.000 2 B 43.904 1 ATOM 2398 N NE2 . HIS 73 73 ? B -2.591 48.394 20.005 1.000 2 B 43.904 1 ATOM 2399 N N . SER 74 74 ? B -8.681 50.322 17.359 1.000 2 B 40.208 1 ATOM 2400 C CA . SER 74 74 ? B -9.078 51.575 16.725 1.000 2 B 40.208 1 ATOM 2401 C C . SER 74 74 ? B -8.048 52.023 15.694 1.000 2 B 40.208 1 ATOM 2402 O O . SER 74 74 ? B -6.880 52.235 16.027 1.000 2 B 40.208 1 ATOM 2403 C CB . SER 74 74 ? B -9.272 52.670 17.774 1.000 2 B 40.208 1 ATOM 2404 O OG . SER 74 74 ? B -9.505 53.923 17.156 1.000 2 B 40.208 1 ATOM 2405 N N . SER 75 75 ? B -8.150 51.630 14.470 1.000 2 B 43.595 1 ATOM 2406 C CA . SER 75 75 ? B -7.747 52.478 13.353 1.000 2 B 43.595 1 ATOM 2407 C C . SER 75 75 ? B -8.899 52.692 12.377 1.000 2 B 43.595 1 ATOM 2408 O O . SER 75 75 ? B -9.511 51.729 11.911 1.000 2 B 43.595 1 ATOM 2409 C CB . SER 75 75 ? B -6.553 51.866 12.619 1.000 2 B 43.595 1 ATOM 2410 O OG . SER 75 75 ? B -6.100 50.698 13.281 1.000 2 B 43.595 1 ATOM 2411 N N . TYR 76 76 ? B -9.695 53.789 12.396 1.000 2 B 28.816 1 ATOM 2412 C CA . TYR 76 76 ? B -10.425 54.840 11.696 1.000 2 B 28.816 1 ATOM 2413 C C . TYR 76 76 ? B -9.723 55.220 10.398 1.000 2 B 28.816 1 ATOM 2414 O O . TYR 76 76 ? B -8.532 55.540 10.399 1.000 2 B 28.816 1 ATOM 2415 C CB . TYR 76 76 ? B -10.577 56.075 12.588 1.000 2 B 28.816 1 ATOM 2416 C CG . TYR 76 76 ? B -11.962 56.242 13.164 1.000 2 B 28.816 1 ATOM 2417 C CD1 . TYR 76 76 ? B -12.909 57.043 12.531 1.000 2 B 28.816 1 ATOM 2418 C CD2 . TYR 76 76 ? B -12.327 55.599 14.342 1.000 2 B 28.816 1 ATOM 2419 C CE1 . TYR 76 76 ? B -14.187 57.201 13.058 1.000 2 B 28.816 1 ATOM 2420 C CE2 . TYR 76 76 ? B -13.601 55.750 14.879 1.000 2 B 28.816 1 ATOM 2421 C CZ . TYR 76 76 ? B -14.523 56.551 14.231 1.000 2 B 28.816 1 ATOM 2422 O OH . TYR 76 76 ? B -15.786 56.704 14.758 1.000 2 B 28.816 1 ATOM 2423 N N . PRO 77 77 ? B -10.361 55.288 9.217 1.000 2 B 41.934 1 ATOM 2424 C CA . PRO 77 77 ? B -10.368 56.496 8.389 1.000 2 B 41.934 1 ATOM 2425 C C . PRO 77 77 ? B -11.769 57.074 8.200 1.000 2 B 41.934 1 ATOM 2426 O O . PRO 77 77 ? B -12.759 56.342 8.277 1.000 2 B 41.934 1 ATOM 2427 C CB . PRO 77 77 ? B -9.794 56.012 7.055 1.000 2 B 41.934 1 ATOM 2428 C CG . PRO 77 77 ? B -10.283 54.606 6.916 1.000 2 B 41.934 1 ATOM 2429 C CD . PRO 77 77 ? B -10.985 54.218 8.186 1.000 2 B 41.934 1 ATOM 2430 N N . ALA 78 78 ? B -12.052 58.224 8.774 1.000 2 B 40.864 1 ATOM 2431 C CA . ALA 78 78 ? B -12.507 59.581 8.485 1.000 2 B 40.864 1 ATOM 2432 C C . ALA 78 78 ? B -13.222 59.645 7.139 1.000 2 B 40.864 1 ATOM 2433 O O . ALA 78 78 ? B -12.719 59.132 6.137 1.000 2 B 40.864 1 ATOM 2434 C CB . ALA 78 78 ? B -11.330 60.553 8.506 1.000 2 B 40.864 1 ATOM 2435 N N . GLY 79 79 ? B -14.573 59.864 7.118 1.000 2 B 36.015 1 ATOM 2436 C CA . GLY 79 79 ? B -15.240 61.027 6.555 1.000 2 B 36.015 1 ATOM 2437 C C . GLY 79 79 ? B -16.037 60.710 5.304 1.000 2 B 36.015 1 ATOM 2438 O O . GLY 79 79 ? B -15.553 60.006 4.415 1.000 2 B 36.015 1 ATOM 2439 N N . THR 80 80 ? B -17.417 60.666 5.336 1.000 2 B 41.286 1 ATOM 2440 C CA . THR 80 80 ? B -18.256 61.469 4.452 1.000 2 B 41.286 1 ATOM 2441 C C . THR 80 80 ? B -19.686 60.936 4.433 1.000 2 B 41.286 1 ATOM 2442 O O . THR 80 80 ? B -19.904 59.734 4.275 1.000 2 B 41.286 1 ATOM 2443 C CB . THR 80 80 ? B -17.695 61.492 3.019 1.000 2 B 41.286 1 ATOM 2444 O OG1 . THR 80 80 ? B -16.998 60.266 2.764 1.000 2 B 41.286 1 ATOM 2445 C CG2 . THR 80 80 ? B -16.733 62.660 2.824 1.000 2 B 41.286 1 ATOM 2446 N N . GLU 81 81 ? B -20.621 61.376 5.323 1.000 2 B 33.852 1 ATOM 2447 C CA . GLU 81 81 ? B -21.958 61.964 5.331 1.000 2 B 33.852 1 ATOM 2448 C C . GLU 81 81 ? B -22.320 62.530 3.961 1.000 2 B 33.852 1 ATOM 2449 O O . GLU 81 81 ? B -21.520 63.237 3.344 1.000 2 B 33.852 1 ATOM 2450 C CB . GLU 81 81 ? B -22.057 63.059 6.396 1.000 2 B 33.852 1 ATOM 2451 C CG . GLU 81 81 ? B -21.480 62.658 7.746 1.000 2 B 33.852 1 ATOM 2452 C CD . GLU 81 81 ? B -21.562 63.765 8.785 1.000 2 B 33.852 1 ATOM 2453 O OE1 . GLU 81 81 ? B -21.963 63.486 9.938 1.000 2 B 33.852 1 ATOM 2454 O OE2 . GLU 81 81 ? B -21.224 64.920 8.444 1.000 2 B 33.852 1 ATOM 2455 N N . ASP 82 82 ? B -23.109 61.829 3.070 1.000 2 B 39.074 1 ATOM 2456 C CA . ASP 82 82 ? B -24.225 62.281 2.243 1.000 2 B 39.074 1 ATOM 2457 C C . ASP 82 82 ? B -24.351 61.432 0.980 1.000 2 B 39.074 1 ATOM 2458 O O . ASP 82 82 ? B -23.365 61.209 0.274 1.000 2 B 39.074 1 ATOM 2459 C CB . ASP 82 82 ? B -24.055 63.755 1.871 1.000 2 B 39.074 1 ATOM 2460 C CG . ASP 82 82 ? B -24.234 64.689 3.055 1.000 2 B 39.074 1 ATOM 2461 O OD1 . ASP 82 82 ? B -25.038 64.380 3.960 1.000 2 B 39.074 1 ATOM 2462 O OD2 . ASP 82 82 ? B -23.566 65.746 3.081 1.000 2 B 39.074 1 ATOM 2463 N N . ASP 83 83 ? B -25.368 60.510 0.856 1.000 2 B 42.582 1 ATOM 2464 C CA . ASP 83 83 ? B -26.118 60.539 -0.396 1.000 2 B 42.582 1 ATOM 2465 C C . ASP 83 83 ? B -26.646 59.152 -0.752 1.000 2 B 42.582 1 ATOM 2466 O O . ASP 83 83 ? B -25.877 58.190 -0.829 1.000 2 B 42.582 1 ATOM 2467 C CB . ASP 83 83 ? B -25.247 61.079 -1.531 1.000 2 B 42.582 1 ATOM 2468 C CG . ASP 83 83 ? B -26.040 61.403 -2.785 1.000 2 B 42.582 1 ATOM 2469 O OD1 . ASP 83 83 ? B -27.148 61.971 -2.676 1.000 2 B 42.582 1 ATOM 2470 O OD2 . ASP 83 83 ? B -25.554 61.084 -3.892 1.000 2 B 42.582 1 ATOM 2471 N N . GLU 84 84 ? B -27.844 58.737 -0.288 1.000 2 B 38.241 1 ATOM 2472 C CA . GLU 84 84 ? B -29.074 58.435 -1.013 1.000 2 B 38.241 1 ATOM 2473 C C . GLU 84 84 ? B -28.777 57.979 -2.439 1.000 2 B 38.241 1 ATOM 2474 O O . GLU 84 84 ? B -28.079 58.669 -3.185 1.000 2 B 38.241 1 ATOM 2475 C CB . GLU 84 84 ? B -30.000 59.654 -1.034 1.000 2 B 38.241 1 ATOM 2476 C CG . GLU 84 84 ? B -31.327 59.431 -0.325 1.000 2 B 38.241 1 ATOM 2477 C CD . GLU 84 84 ? B -31.683 60.544 0.648 1.000 2 B 38.241 1 ATOM 2478 O OE1 . GLU 84 84 ? B -32.862 60.636 1.060 1.000 2 B 38.241 1 ATOM 2479 O OE2 . GLU 84 84 ? B -30.776 61.332 0.998 1.000 2 B 38.241 1 ATOM 2480 N N . GLY 85 85 ? B -28.650 56.688 -2.729 1.000 2 B 38.976 1 ATOM 2481 C CA . GLY 85 85 ? B -29.153 56.204 -4.005 1.000 2 B 38.976 1 ATOM 2482 C C . GLY 85 85 ? B -28.492 54.916 -4.457 1.000 2 B 38.976 1 ATOM 2483 O O . GLY 85 85 ? B -27.269 54.781 -4.384 1.000 2 B 38.976 1 ATOM 2484 N N . MET 86 86 ? B -28.962 53.733 -4.148 1.000 2 B 35.578 1 ATOM 2485 C CA . MET 86 86 ? B -29.430 52.810 -5.178 1.000 2 B 35.578 1 ATOM 2486 C C . MET 86 86 ? B -28.411 51.701 -5.418 1.000 2 B 35.578 1 ATOM 2487 O O . MET 86 86 ? B -27.220 51.971 -5.582 1.000 2 B 35.578 1 ATOM 2488 C CB . MET 86 86 ? B -29.707 53.556 -6.484 1.000 2 B 35.578 1 ATOM 2489 C CG . MET 86 86 ? B -31.098 53.311 -7.047 1.000 2 B 35.578 1 ATOM 2490 S SD . MET 86 86 ? B -31.367 51.558 -7.519 1.000 2 B 35.578 1 ATOM 2491 C CE . MET 86 86 ? B -32.696 51.756 -8.738 1.000 2 B 35.578 1 ATOM 2492 N N . GLY 87 87 ? B -28.364 50.708 -4.608 1.000 2 B 36.849 1 ATOM 2493 C CA . GLY 87 87 ? B -28.337 49.380 -5.201 1.000 2 B 36.849 1 ATOM 2494 C C . GLY 87 87 ? B -26.947 48.774 -5.246 1.000 2 B 36.849 1 ATOM 2495 O O . GLY 87 87 ? B -26.480 48.356 -6.307 1.000 2 B 36.849 1 ATOM 2496 N N . GLU 88 88 ? B -26.203 48.709 -4.149 1.000 2 B 40.114 1 ATOM 2497 C CA . GLU 88 88 ? B -24.916 48.026 -4.237 1.000 2 B 40.114 1 ATOM 2498 C C . GLU 88 88 ? B -24.997 46.619 -3.652 1.000 2 B 40.114 1 ATOM 2499 O O . GLU 88 88 ? B -25.503 46.430 -2.543 1.000 2 B 40.114 1 ATOM 2500 C CB . GLU 88 88 ? B -23.829 48.831 -3.522 1.000 2 B 40.114 1 ATOM 2501 C CG . GLU 88 88 ? B -23.299 50.004 -4.333 1.000 2 B 40.114 1 ATOM 2502 C CD . GLU 88 88 ? B -22.057 50.640 -3.729 1.000 2 B 40.114 1 ATOM 2503 O OE1 . GLU 88 88 ? B -21.399 51.457 -4.412 1.000 2 B 40.114 1 ATOM 2504 O OE2 . GLU 88 88 ? B -21.739 50.318 -2.562 1.000 2 B 40.114 1 ATOM 2505 N N . GLU 89 89 ? B -25.528 45.677 -4.426 1.000 2 B 39.989 1 ATOM 2506 C CA . GLU 89 89 ? B -24.857 44.416 -4.727 1.000 2 B 39.989 1 ATOM 2507 C C . GLU 89 89 ? B -24.753 43.536 -3.484 1.000 2 B 39.989 1 ATOM 2508 O O . GLU 89 89 ? B -24.255 43.976 -2.446 1.000 2 B 39.989 1 ATOM 2509 C CB . GLU 89 89 ? B -23.464 44.673 -5.307 1.000 2 B 39.989 1 ATOM 2510 C CG . GLU 89 89 ? B -23.023 43.637 -6.330 1.000 2 B 39.989 1 ATOM 2511 C CD . GLU 89 89 ? B -21.590 43.831 -6.802 1.000 2 B 39.989 1 ATOM 2512 O OE1 . GLU 89 89 ? B -21.038 42.919 -7.458 1.000 2 B 39.989 1 ATOM 2513 O OE2 . GLU 89 89 ? B -21.015 44.904 -6.513 1.000 2 B 39.989 1 ATOM 2514 N N . PRO 90 90 ? B -25.859 42.775 -3.214 1.000 2 B 44.623 1 ATOM 2515 C CA . PRO 90 90 ? B -25.772 41.776 -2.146 1.000 2 B 44.623 1 ATOM 2516 C C . PRO 90 90 ? B -24.381 41.159 -2.027 1.000 2 B 44.623 1 ATOM 2517 O O . PRO 90 90 ? B -23.750 40.848 -3.041 1.000 2 B 44.623 1 ATOM 2518 C CB . PRO 90 90 ? B -26.803 40.724 -2.563 1.000 2 B 44.623 1 ATOM 2519 C CG . PRO 90 90 ? B -26.991 40.935 -4.031 1.000 2 B 44.623 1 ATOM 2520 C CD . PRO 90 90 ? B -26.481 42.302 -4.385 1.000 2 B 44.623 1 ATOM 2521 N N . SER 91 91 ? B -23.464 41.695 -1.327 1.000 2 B 57.244 1 ATOM 2522 C CA . SER 91 91 ? B -22.545 41.090 -0.369 1.000 2 B 57.244 1 ATOM 2523 C C . SER 91 91 ? B -22.428 39.585 -0.587 1.000 2 B 57.244 1 ATOM 2524 O O . SER 91 91 ? B -23.440 38.889 -0.697 1.000 2 B 57.244 1 ATOM 2525 C CB . SER 91 91 ? B -23.001 41.372 1.064 1.000 2 B 57.244 1 ATOM 2526 O OG . SER 91 91 ? B -21.895 41.390 1.950 1.000 2 B 57.244 1 ATOM 2527 N N . PRO 92 92 ? B -21.568 39.092 -1.461 1.000 2 B 50.108 1 ATOM 2528 C CA . PRO 92 92 ? B -21.539 37.647 -1.696 1.000 2 B 50.108 1 ATOM 2529 C C . PRO 92 92 ? B -21.912 36.839 -0.455 1.000 2 B 50.108 1 ATOM 2530 O O . PRO 92 92 ? B -21.354 37.062 0.622 1.000 2 B 50.108 1 ATOM 2531 C CB . PRO 92 92 ? B -20.086 37.385 -2.101 1.000 2 B 50.108 1 ATOM 2532 C CG . PRO 92 92 ? B -19.424 38.723 -2.033 1.000 2 B 50.108 1 ATOM 2533 C CD . PRO 92 92 ? B -20.358 39.684 -1.357 1.000 2 B 50.108 1 ATOM 2534 N N . PHE 93 93 ? B -23.123 36.839 0.172 1.000 2 B 47.030 1 ATOM 2535 C CA . PHE 93 93 ? B -23.892 35.736 0.736 1.000 2 B 47.030 1 ATOM 2536 C C . PHE 93 93 ? B -23.167 34.411 0.532 1.000 2 B 47.030 1 ATOM 2537 O O . PHE 93 93 ? B -22.700 34.115 -0.570 1.000 2 B 47.030 1 ATOM 2538 C CB . PHE 93 93 ? B -25.287 35.673 0.105 1.000 2 B 47.030 1 ATOM 2539 C CG . PHE 93 93 ? B -26.376 36.219 0.988 1.000 2 B 47.030 1 ATOM 2540 C CD1 . PHE 93 93 ? B -27.025 35.400 1.903 1.000 2 B 47.030 1 ATOM 2541 C CD2 . PHE 93 93 ? B -26.753 37.554 0.901 1.000 2 B 47.030 1 ATOM 2542 C CE1 . PHE 93 93 ? B -28.034 35.903 2.721 1.000 2 B 47.030 1 ATOM 2543 C CE2 . PHE 93 93 ? B -27.760 38.063 1.715 1.000 2 B 47.030 1 ATOM 2544 C CZ . PHE 93 93 ? B -28.400 37.236 2.624 1.000 2 B 47.030 1 ATOM 2545 N N . ARG 94 94 ? B -22.261 34.039 1.449 1.000 2 B 51.533 1 ATOM 2546 C CA . ARG 94 94 ? B -22.252 32.829 2.265 1.000 2 B 51.533 1 ATOM 2547 C C . ARG 94 94 ? B -21.534 31.691 1.548 1.000 2 B 51.533 1 ATOM 2548 O O . ARG 94 94 ? B -22.046 31.147 0.568 1.000 2 B 51.533 1 ATOM 2549 C CB . ARG 94 94 ? B -23.680 32.408 2.619 1.000 2 B 51.533 1 ATOM 2550 C CG . ARG 94 94 ? B -24.195 33.008 3.918 1.000 2 B 51.533 1 ATOM 2551 C CD . ARG 94 94 ? B -25.474 32.326 4.385 1.000 2 B 51.533 1 ATOM 2552 N NE . ARG 94 94 ? B -26.165 33.116 5.400 1.000 2 B 51.533 1 ATOM 2553 C CZ . ARG 94 94 ? B -26.589 32.643 6.569 1.000 2 B 51.533 1 ATOM 2554 N NH1 . ARG 94 94 ? B -26.401 31.370 6.894 1.000 2 B 51.533 1 ATOM 2555 N NH2 . ARG 94 94 ? B -27.207 33.450 7.419 1.000 2 B 51.533 1 ATOM 2556 N N . GLY 95 95 ? B -20.407 31.982 1.115 1.000 2 B 48.526 1 ATOM 2557 C CA . GLY 95 95 ? B -19.352 31.003 0.906 1.000 2 B 48.526 1 ATOM 2558 C C . GLY 95 95 ? B -19.719 29.616 1.400 1.000 2 B 48.526 1 ATOM 2559 O O . GLY 95 95 ? B -20.205 29.460 2.523 1.000 2 B 48.526 1 ATOM 2560 N N . ARG 96 96 ? B -20.857 29.112 0.977 1.000 2 B 47.846 1 ATOM 2561 C CA . ARG 96 96 ? B -21.131 27.681 0.907 1.000 2 B 47.846 1 ATOM 2562 C C . ARG 96 96 ? B -20.370 26.923 1.990 1.000 2 B 47.846 1 ATOM 2563 O O . ARG 96 96 ? B -19.147 27.042 2.095 1.000 2 B 47.846 1 ATOM 2564 C CB . ARG 96 96 ? B -20.765 27.130 -0.473 1.000 2 B 47.846 1 ATOM 2565 C CG . ARG 96 96 ? B -21.713 27.563 -1.580 1.000 2 B 47.846 1 ATOM 2566 C CD . ARG 96 96 ? B -21.407 26.856 -2.893 1.000 2 B 47.846 1 ATOM 2567 N NE . ARG 96 96 ? B -22.277 27.319 -3.971 1.000 2 B 47.846 1 ATOM 2568 C CZ . ARG 96 96 ? B -22.763 26.547 -4.938 1.000 2 B 47.846 1 ATOM 2569 N NH1 . ARG 96 96 ? B -22.473 25.252 -4.982 1.000 2 B 47.846 1 ATOM 2570 N NH2 . ARG 96 96 ? B -23.546 27.073 -5.869 1.000 2 B 47.846 1 ATOM 2571 N N . SER 97 97 ? B -20.575 27.134 3.276 1.000 2 B 50.124 1 ATOM 2572 C CA . SER 97 97 ? B -20.321 26.179 4.350 1.000 2 B 50.124 1 ATOM 2573 C C . SER 97 97 ? B -19.870 24.831 3.796 1.000 2 B 50.124 1 ATOM 2574 O O . SER 97 97 ? B -20.626 24.158 3.094 1.000 2 B 50.124 1 ATOM 2575 C CB . SER 97 97 ? B -21.573 25.993 5.209 1.000 2 B 50.124 1 ATOM 2576 O OG . SER 97 97 ? B -22.037 27.239 5.698 1.000 2 B 50.124 1 ATOM 2577 N N . ARG 98 98 ? B -18.949 24.798 2.982 1.000 2 B 51.836 1 ATOM 2578 C CA . ARG 98 98 ? B -18.275 23.521 2.776 1.000 2 B 51.836 1 ATOM 2579 C C . ARG 98 98 ? B -18.589 22.547 3.906 1.000 2 B 51.836 1 ATOM 2580 O O . ARG 98 98 ? B -18.028 22.654 4.999 1.000 2 B 51.836 1 ATOM 2581 C CB . ARG 98 98 ? B -16.762 23.723 2.663 1.000 2 B 51.836 1 ATOM 2582 C CG . ARG 98 98 ? B -16.335 24.509 1.434 1.000 2 B 51.836 1 ATOM 2583 C CD . ARG 98 98 ? B -14.821 24.539 1.281 1.000 2 B 51.836 1 ATOM 2584 N NE . ARG 98 98 ? B -14.414 24.293 -0.100 1.000 2 B 51.836 1 ATOM 2585 C CZ . ARG 98 98 ? B -13.161 24.085 -0.495 1.000 2 B 51.836 1 ATOM 2586 N NH1 . ARG 98 98 ? B -12.164 24.089 0.382 1.000 2 B 51.836 1 ATOM 2587 N NH2 . ARG 98 98 ? B -12.903 23.872 -1.777 1.000 2 B 51.836 1 ATOM 2588 N N . SER 99 99 ? B -19.850 22.405 4.410 1.000 2 B 56.812 1 ATOM 2589 C CA . SER 99 99 ? B -20.343 21.643 5.552 1.000 2 B 56.812 1 ATOM 2590 C C . SER 99 99 ? B -20.246 20.142 5.298 1.000 2 B 56.812 1 ATOM 2591 O O . SER 99 99 ? B -20.888 19.348 5.989 1.000 2 B 56.812 1 ATOM 2592 C CB . SER 99 99 ? B -21.791 22.022 5.866 1.000 2 B 56.812 1 ATOM 2593 O OG . SER 99 99 ? B -22.634 21.746 4.761 1.000 2 B 56.812 1 ATOM 2594 N N . ALA 100 100 ? B -19.563 19.738 4.276 1.000 2 B 53.514 1 ATOM 2595 C CA . ALA 100 100 ? B -19.512 18.296 4.500 1.000 2 B 53.514 1 ATOM 2596 C C . ALA 100 100 ? B -18.624 17.958 5.694 1.000 2 B 53.514 1 ATOM 2597 O O . ALA 100 100 ? B -17.641 18.652 5.961 1.000 2 B 53.514 1 ATOM 2598 C CB . ALA 100 100 ? B -19.011 17.580 3.249 1.000 2 B 53.514 1 ATOM 2599 N N . PRO 101 101 ? B -19.192 17.494 6.734 1.000 2 B 55.487 1 ATOM 2600 C CA . PRO 101 101 ? B -18.450 17.093 7.932 1.000 2 B 55.487 1 ATOM 2601 C C . PRO 101 101 ? B -17.018 16.662 7.621 1.000 2 B 55.487 1 ATOM 2602 O O . PRO 101 101 ? B -16.768 16.035 6.589 1.000 2 B 55.487 1 ATOM 2603 C CB . PRO 101 101 ? B -19.267 15.919 8.476 1.000 2 B 55.487 1 ATOM 2604 C CG . PRO 101 101 ? B -20.510 15.901 7.646 1.000 2 B 55.487 1 ATOM 2605 C CD . PRO 101 101 ? B -20.291 16.771 6.442 1.000 2 B 55.487 1 ATOM 2606 N N . PRO 102 102 ? B -16.057 17.503 8.042 1.000 2 B 65.299 1 ATOM 2607 C CA . PRO 102 102 ? B -14.623 17.236 7.913 1.000 2 B 65.299 1 ATOM 2608 C C . PRO 102 102 ? B -14.306 15.744 7.834 1.000 2 B 65.299 1 ATOM 2609 O O . PRO 102 102 ? B -13.329 15.350 7.193 1.000 2 B 65.299 1 ATOM 2610 C CB . PRO 102 102 ? B -14.033 17.853 9.183 1.000 2 B 65.299 1 ATOM 2611 C CG . PRO 102 102 ? B -15.215 18.353 9.950 1.000 2 B 65.299 1 ATOM 2612 C CD . PRO 102 102 ? B -16.455 18.068 9.153 1.000 2 B 65.299 1 ATOM 2613 N N . ASN 103 103 ? B -15.275 14.880 8.275 1.000 2 B 66.300 1 ATOM 2614 C CA . ASN 103 103 ? B -14.948 13.459 8.335 1.000 2 B 66.300 1 ATOM 2615 C C . ASN 103 103 ? B -15.038 12.804 6.960 1.000 2 B 66.300 1 ATOM 2616 O O . ASN 103 103 ? B -14.291 11.871 6.661 1.000 2 B 66.300 1 ATOM 2617 C CB . ASN 103 103 ? B -15.863 12.738 9.327 1.000 2 B 66.300 1 ATOM 2618 C CG . ASN 103 103 ? B -15.489 13.010 10.771 1.000 2 B 66.300 1 ATOM 2619 O OD1 . ASN 103 103 ? B -14.373 13.446 11.064 1.000 2 B 66.300 1 ATOM 2620 N ND2 . ASN 103 103 ? B -16.421 12.757 11.683 1.000 2 B 66.300 1 ATOM 2621 N N . LEU 104 104 ? B -15.918 13.410 6.088 1.000 2 B 69.844 1 ATOM 2622 C CA . LEU 104 104 ? B -16.079 12.824 4.762 1.000 2 B 69.844 1 ATOM 2623 C C . LEU 104 104 ? B -14.904 13.190 3.861 1.000 2 B 69.844 1 ATOM 2624 O O . LEU 104 104 ? B -14.558 12.436 2.949 1.000 2 B 69.844 1 ATOM 2625 C CB . LEU 104 104 ? B -17.390 13.291 4.125 1.000 2 B 69.844 1 ATOM 2626 C CG . LEU 104 104 ? B -18.678 12.770 4.764 1.000 2 B 69.844 1 ATOM 2627 C CD1 . LEU 104 104 ? B -19.894 13.415 4.109 1.000 2 B 69.844 1 ATOM 2628 C CD2 . LEU 104 104 ? B -18.750 11.250 4.659 1.000 2 B 69.844 1 ATOM 2629 N N . TRP 105 105 ? B -14.111 14.172 4.361 1.000 2 B 83.420 1 ATOM 2630 C CA . TRP 105 105 ? B -13.028 14.651 3.510 1.000 2 B 83.420 1 ATOM 2631 C C . TRP 105 105 ? B -11.690 14.068 3.951 1.000 2 B 83.420 1 ATOM 2632 O O . TRP 105 105 ? B -10.683 14.210 3.253 1.000 2 B 83.420 1 ATOM 2633 C CB . TRP 105 105 ? B -12.963 16.181 3.531 1.000 2 B 83.420 1 ATOM 2634 C CG . TRP 105 105 ? B -14.135 16.849 2.876 1.000 2 B 83.420 1 ATOM 2635 C CD1 . TRP 105 105 ? B -15.313 17.213 3.467 1.000 2 B 83.420 1 ATOM 2636 C CD2 . TRP 105 105 ? B -14.242 17.230 1.501 1.000 2 B 83.420 1 ATOM 2637 N NE1 . TRP 105 105 ? B -16.146 17.797 2.542 1.000 2 B 83.420 1 ATOM 2638 C CE2 . TRP 105 105 ? B -15.513 17.820 1.328 1.000 2 B 83.420 1 ATOM 2639 C CE3 . TRP 105 105 ? B -13.384 17.129 0.397 1.000 2 B 83.420 1 ATOM 2640 C CZ2 . TRP 105 105 ? B -15.948 18.308 0.094 1.000 2 B 83.420 1 ATOM 2641 C CZ3 . TRP 105 105 ? B -13.819 17.616 -0.831 1.000 2 B 83.420 1 ATOM 2642 C CH2 . TRP 105 105 ? B -15.090 18.197 -0.970 1.000 2 B 83.420 1 ATOM 2643 N N . ALA 106 106 ? B -11.866 13.427 5.066 1.000 2 B 88.146 1 ATOM 2644 C CA . ALA 106 106 ? B -10.607 12.946 5.630 1.000 2 B 88.146 1 ATOM 2645 C C . ALA 106 106 ? B -9.957 11.911 4.717 1.000 2 B 88.146 1 ATOM 2646 O O . ALA 106 106 ? B -8.746 11.950 4.487 1.000 2 B 88.146 1 ATOM 2647 C CB . ALA 106 106 ? B -10.838 12.356 7.019 1.000 2 B 88.146 1 ATOM 2648 N N . ALA 107 107 ? B -10.786 11.011 4.170 1.000 2 B 89.585 1 ATOM 2649 C CA . ALA 107 107 ? B -10.252 9.970 3.294 1.000 2 B 89.585 1 ATOM 2650 C C . ALA 107 107 ? B -9.707 10.568 2.001 1.000 2 B 89.585 1 ATOM 2651 O O . ALA 107 107 ? B -8.653 10.153 1.513 1.000 2 B 89.585 1 ATOM 2652 C CB . ALA 107 107 ? B -11.328 8.932 2.985 1.000 2 B 89.585 1 ATOM 2653 N N . GLN 108 108 ? B -10.364 11.556 1.478 1.000 2 B 92.047 1 ATOM 2654 C CA . GLN 108 108 ? B -9.908 12.219 0.261 1.000 2 B 92.047 1 ATOM 2655 C C . GLN 108 108 ? B -8.587 12.947 0.494 1.000 2 B 92.047 1 ATOM 2656 O O . GLN 108 108 ? B -7.682 12.884 -0.341 1.000 2 B 92.047 1 ATOM 2657 C CB . GLN 108 108 ? B -10.966 13.200 -0.245 1.000 2 B 92.047 1 ATOM 2658 C CG . GLN 108 108 ? B -10.688 13.738 -1.642 1.000 2 B 92.047 1 ATOM 2659 C CD . GLN 108 108 ? B -11.853 14.525 -2.211 1.000 2 B 92.047 1 ATOM 2660 O OE1 . GLN 108 108 ? B -13.002 14.350 -1.791 1.000 2 B 92.047 1 ATOM 2661 N NE2 . GLN 108 108 ? B -11.567 15.397 -3.172 1.000 2 B 92.047 1 ATOM 2662 N N . ARG 109 109 ? B -8.489 13.580 1.603 1.000 2 B 92.174 1 ATOM 2663 C CA . ARG 109 109 ? B -7.259 14.289 1.945 1.000 2 B 92.174 1 ATOM 2664 C C . ARG 109 109 ? B -6.099 13.316 2.125 1.000 2 B 92.174 1 ATOM 2665 O O . ARG 109 109 ? B -4.978 13.592 1.691 1.000 2 B 92.174 1 ATOM 2666 C CB . ARG 109 109 ? B -7.452 15.115 3.219 1.000 2 B 92.174 1 ATOM 2667 C CG . ARG 109 109 ? B -6.273 16.015 3.553 1.000 2 B 92.174 1 ATOM 2668 C CD . ARG 109 109 ? B -6.543 16.864 4.788 1.000 2 B 92.174 1 ATOM 2669 N NE . ARG 109 109 ? B -5.385 17.677 5.147 1.000 2 B 92.174 1 ATOM 2670 C CZ . ARG 109 109 ? B -5.432 18.774 5.898 1.000 2 B 92.174 1 ATOM 2671 N NH1 . ARG 109 109 ? B -6.587 19.212 6.385 1.000 2 B 92.174 1 ATOM 2672 N NH2 . ARG 109 109 ? B -4.316 19.438 6.163 1.000 2 B 92.174 1 ATOM 2673 N N . TYR 110 110 ? B -6.515 12.228 2.782 1.000 2 B 93.635 1 ATOM 2674 C CA . TYR 110 110 ? B -5.495 11.202 2.963 1.000 2 B 93.635 1 ATOM 2675 C C . TYR 110 110 ? B -4.960 10.721 1.619 1.000 2 B 93.635 1 ATOM 2676 O O . TYR 110 110 ? B -3.746 10.624 1.425 1.000 2 B 93.635 1 ATOM 2677 C CB . TYR 110 110 ? B -6.058 10.017 3.754 1.000 2 B 93.635 1 ATOM 2678 C CG . TYR 110 110 ? B -4.997 9.087 4.290 1.000 2 B 93.635 1 ATOM 2679 C CD1 . TYR 110 110 ? B -4.158 8.385 3.427 1.000 2 B 93.635 1 ATOM 2680 C CD2 . TYR 110 110 ? B -4.832 8.906 5.659 1.000 2 B 93.635 1 ATOM 2681 C CE1 . TYR 110 110 ? B -3.181 7.524 3.916 1.000 2 B 93.635 1 ATOM 2682 C CE2 . TYR 110 110 ? B -3.858 8.048 6.159 1.000 2 B 93.635 1 ATOM 2683 C CZ . TYR 110 110 ? B -3.039 7.363 5.282 1.000 2 B 93.635 1 ATOM 2684 O OH . TYR 110 110 ? B -2.073 6.513 5.771 1.000 2 B 93.635 1 ATOM 2685 N N . GLY 111 111 ? B -5.830 10.432 0.730 1.000 2 B 94.756 1 ATOM 2686 C CA . GLY 111 111 ? B -5.433 10.003 -0.602 1.000 2 B 94.756 1 ATOM 2687 C C . GLY 111 111 ? B -4.579 11.024 -1.328 1.000 2 B 94.756 1 ATOM 2688 O O . GLY 111 111 ? B -3.580 10.671 -1.958 1.000 2 B 94.756 1 ATOM 2689 N N . ARG 112 112 ? B -4.940 12.331 -1.261 1.000 2 B 95.014 1 ATOM 2690 C CA . ARG 112 112 ? B -4.197 13.414 -1.897 1.000 2 B 95.014 1 ATOM 2691 C C . ARG 112 112 ? B -2.772 13.491 -1.358 1.000 2 B 95.014 1 ATOM 2692 O O . ARG 112 112 ? B -1.820 13.642 -2.126 1.000 2 B 95.014 1 ATOM 2693 C CB . ARG 112 112 ? B -4.909 14.752 -1.687 1.000 2 B 95.014 1 ATOM 2694 C CG . ARG 112 112 ? B -4.305 15.902 -2.476 1.000 2 B 95.014 1 ATOM 2695 C CD . ARG 112 112 ? B -5.033 17.213 -2.210 1.000 2 B 95.014 1 ATOM 2696 N NE . ARG 112 112 ? B -6.335 17.249 -2.869 1.000 2 B 95.014 1 ATOM 2697 C CZ . ARG 112 112 ? B -7.140 18.308 -2.899 1.000 2 B 95.014 1 ATOM 2698 N NH1 . ARG 112 112 ? B -6.789 19.443 -2.306 1.000 2 B 95.014 1 ATOM 2699 N NH2 . ARG 112 112 ? B -8.304 18.232 -3.528 1.000 2 B 95.014 1 ATOM 2700 N N . GLU 113 113 ? B -2.732 13.331 -0.086 1.000 2 B 95.098 1 ATOM 2701 C CA . GLU 113 113 ? B -1.417 13.411 0.543 1.000 2 B 95.098 1 ATOM 2702 C C . GLU 113 113 ? B -0.557 12.204 0.180 1.000 2 B 95.098 1 ATOM 2703 O O . GLU 113 113 ? B 0.638 12.345 -0.088 1.000 2 B 95.098 1 ATOM 2704 C CB . GLU 113 113 ? B -1.555 13.521 2.064 1.000 2 B 95.098 1 ATOM 2705 C CG . GLU 113 113 ? B -0.242 13.802 2.781 1.000 2 B 95.098 1 ATOM 2706 C CD . GLU 113 113 ? B 0.425 15.091 2.328 1.000 2 B 95.098 1 ATOM 2707 O OE1 . GLU 113 113 ? B 1.652 15.242 2.526 1.000 2 B 95.098 1 ATOM 2708 O OE2 . GLU 113 113 ? B -0.286 15.957 1.770 1.000 2 B 95.098 1 ATOM 2709 N N . LEU 114 114 ? B -1.142 11.030 0.153 1.000 2 B 96.062 1 ATOM 2710 C CA . LEU 114 114 ? B -0.402 9.835 -0.237 1.000 2 B 96.062 1 ATOM 2711 C C . LEU 114 114 ? B 0.110 9.955 -1.668 1.000 2 B 96.062 1 ATOM 2712 O O . LEU 114 114 ? B 1.222 9.517 -1.973 1.000 2 B 96.062 1 ATOM 2713 C CB . LEU 114 114 ? B -1.283 8.591 -0.101 1.000 2 B 96.062 1 ATOM 2714 C CG . LEU 114 114 ? B -1.440 8.022 1.310 1.000 2 B 96.062 1 ATOM 2715 C CD1 . LEU 114 114 ? B -2.401 6.838 1.301 1.000 2 B 96.062 1 ATOM 2716 C CD2 . LEU 114 114 ? B -0.084 7.612 1.876 1.000 2 B 96.062 1 ATOM 2717 N N . ARG 115 115 ? B -0.692 10.539 -2.379 1.000 2 B 95.345 1 ATOM 2718 C CA . ARG 115 115 ? B -0.295 10.773 -3.764 1.000 2 B 95.345 1 ATOM 2719 C C . ARG 115 115 ? B 0.928 11.681 -3.836 1.000 2 B 95.345 1 ATOM 2720 O O . ARG 115 115 ? B 1.888 11.383 -4.550 1.000 2 B 95.345 1 ATOM 2721 C CB . ARG 115 115 ? B -1.450 11.386 -4.559 1.000 2 B 95.345 1 ATOM 2722 C CG . ARG 115 115 ? B -1.158 11.553 -6.041 1.000 2 B 95.345 1 ATOM 2723 C CD . ARG 115 115 ? B -2.259 12.330 -6.749 1.000 2 B 95.345 1 ATOM 2724 N NE . ARG 115 115 ? B -3.554 11.669 -6.617 1.000 2 B 95.345 1 ATOM 2725 C CZ . ARG 115 115 ? B -4.660 12.253 -6.163 1.000 2 B 95.345 1 ATOM 2726 N NH1 . ARG 115 115 ? B -4.649 13.527 -5.788 1.000 2 B 95.345 1 ATOM 2727 N NH2 . ARG 115 115 ? B -5.786 11.559 -6.084 1.000 2 B 95.345 1 ATOM 2728 N N . ARG 116 116 ? B 0.812 12.775 -3.223 1.000 2 B 95.995 1 ATOM 2729 C CA . ARG 116 116 ? B 1.917 13.728 -3.197 1.000 2 B 95.995 1 ATOM 2730 C C . ARG 116 116 ? B 3.194 13.072 -2.683 1.000 2 B 95.995 1 ATOM 2731 O O . ARG 116 116 ? B 4.257 13.208 -3.292 1.000 2 B 95.995 1 ATOM 2732 C CB . ARG 116 116 ? B 1.564 14.938 -2.330 1.000 2 B 95.995 1 ATOM 2733 C CG . ARG 116 116 ? B 2.649 16.003 -2.286 1.000 2 B 95.995 1 ATOM 2734 C CD . ARG 116 116 ? B 2.366 17.053 -1.221 1.000 2 B 95.995 1 ATOM 2735 N NE . ARG 116 116 ? B 2.862 16.641 0.088 1.000 2 B 95.995 1 ATOM 2736 C CZ . ARG 116 116 ? B 3.980 17.090 0.651 1.000 2 B 95.995 1 ATOM 2737 N NH1 . ARG 116 116 ? B 4.744 17.980 0.027 1.000 2 B 95.995 1 ATOM 2738 N NH2 . ARG 116 116 ? B 4.338 16.648 1.848 1.000 2 B 95.995 1 ATOM 2739 N N . MET 117 117 ? B 3.138 12.342 -1.640 1.000 2 B 95.551 1 ATOM 2740 C CA . MET 117 117 ? B 4.287 11.708 -1.000 1.000 2 B 95.551 1 ATOM 2741 C C . MET 117 117 ? B 4.873 10.618 -1.890 1.000 2 B 95.551 1 ATOM 2742 O O . MET 117 117 ? B 6.093 10.459 -1.963 1.000 2 B 95.551 1 ATOM 2743 C CB . MET 117 117 ? B 3.891 11.120 0.356 1.000 2 B 95.551 1 ATOM 2744 C CG . MET 117 117 ? B 3.549 12.168 1.402 1.000 2 B 95.551 1 ATOM 2745 S SD . MET 117 117 ? B 3.355 11.449 3.080 1.000 2 B 95.551 1 ATOM 2746 C CE . MET 117 117 ? B 1.838 10.483 2.841 1.000 2 B 95.551 1 ATOM 2747 N N . SER 118 118 ? B 3.956 9.873 -2.521 1.000 2 B 95.602 1 ATOM 2748 C CA . SER 118 118 ? B 4.395 8.780 -3.383 1.000 2 B 95.602 1 ATOM 2749 C C . SER 118 118 ? B 5.139 9.305 -4.606 1.000 2 B 95.602 1 ATOM 2750 O O . SER 118 118 ? B 6.101 8.686 -5.067 1.000 2 B 95.602 1 ATOM 2751 C CB . SER 118 118 ? B 3.201 7.934 -3.827 1.000 2 B 95.602 1 ATOM 2752 O OG . SER 118 118 ? B 2.330 8.687 -4.653 1.000 2 B 95.602 1 ATOM 2753 N N . ASP 119 119 ? B 4.680 10.443 -5.159 1.000 2 B 94.699 1 ATOM 2754 C CA . ASP 119 119 ? B 5.351 11.051 -6.304 1.000 2 B 94.699 1 ATOM 2755 C C . ASP 119 119 ? B 6.740 11.556 -5.922 1.000 2 B 94.699 1 ATOM 2756 O O . ASP 119 119 ? B 7.688 11.430 -6.701 1.000 2 B 94.699 1 ATOM 2757 C CB . ASP 119 119 ? B 4.511 12.198 -6.871 1.000 2 B 94.699 1 ATOM 2758 C CG . ASP 119 119 ? B 3.262 11.719 -7.589 1.000 2 B 94.699 1 ATOM 2759 O OD1 . ASP 119 119 ? B 3.175 10.520 -7.930 1.000 2 B 94.699 1 ATOM 2760 O OD2 . ASP 119 119 ? B 2.357 12.550 -7.819 1.000 2 B 94.699 1 ATOM 2761 N N . GLU 120 120 ? B 6.825 12.093 -4.754 1.000 2 B 93.381 1 ATOM 2762 C CA . GLU 120 120 ? B 8.119 12.550 -4.256 1.000 2 B 93.381 1 ATOM 2763 C C . GLU 120 120 ? B 9.067 11.377 -4.025 1.000 2 B 93.381 1 ATOM 2764 O O . GLU 120 120 ? B 10.268 11.483 -4.279 1.000 2 B 93.381 1 ATOM 2765 C CB . GLU 120 120 ? B 7.945 13.348 -2.961 1.000 2 B 93.381 1 ATOM 2766 C CG . GLU 120 120 ? B 7.279 14.703 -3.159 1.000 2 B 93.381 1 ATOM 2767 C CD . GLU 120 120 ? B 7.054 15.456 -1.858 1.000 2 B 93.381 1 ATOM 2768 O OE1 . GLU 120 120 ? B 6.421 16.536 -1.883 1.000 2 B 93.381 1 ATOM 2769 O OE2 . GLU 120 120 ? B 7.515 14.963 -0.804 1.000 2 B 93.381 1 ATOM 2770 N N . PHE 121 121 ? B 8.494 10.347 -3.597 1.000 2 B 91.002 1 ATOM 2771 C CA . PHE 121 121 ? B 9.264 9.145 -3.300 1.000 2 B 91.002 1 ATOM 2772 C C . PHE 121 121 ? B 9.883 8.570 -4.568 1.000 2 B 91.002 1 ATOM 2773 O O . PHE 121 121 ? B 11.072 8.244 -4.592 1.000 2 B 91.002 1 ATOM 2774 C CB . PHE 121 121 ? B 8.380 8.093 -2.624 1.000 2 B 91.002 1 ATOM 2775 C CG . PHE 121 121 ? B 9.115 6.836 -2.243 1.000 2 B 91.002 1 ATOM 2776 C CD1 . PHE 121 121 ? B 8.890 5.648 -2.926 1.000 2 B 91.002 1 ATOM 2777 C CD2 . PHE 121 121 ? B 10.032 6.843 -1.199 1.000 2 B 91.002 1 ATOM 2778 C CE1 . PHE 121 121 ? B 9.569 4.483 -2.576 1.000 2 B 91.002 1 ATOM 2779 C CE2 . PHE 121 121 ? B 10.714 5.684 -0.843 1.000 2 B 91.002 1 ATOM 2780 C CZ . PHE 121 121 ? B 10.481 4.504 -1.532 1.000 2 B 91.002 1 ATOM 2781 N N . VAL 122 122 ? B 9.156 8.447 -5.559 1.000 2 B 88.826 1 ATOM 2782 C CA . VAL 122 122 ? B 9.620 7.889 -6.825 1.000 2 B 88.826 1 ATOM 2783 C C . VAL 122 122 ? B 10.683 8.801 -7.433 1.000 2 B 88.826 1 ATOM 2784 O O . VAL 122 122 ? B 11.647 8.325 -8.036 1.000 2 B 88.826 1 ATOM 2785 C CB . VAL 122 122 ? B 8.454 7.692 -7.819 1.000 2 B 88.826 1 ATOM 2786 C CG1 . VAL 122 122 ? B 8.969 7.665 -9.257 1.000 2 B 88.826 1 ATOM 2787 C CG2 . VAL 122 122 ? B 7.691 6.408 -7.498 1.000 2 B 88.826 1 ATOM 2788 N N . ASP 123 123 ? B 10.531 10.104 -7.366 1.000 2 B 88.044 1 ATOM 2789 C CA . ASP 123 123 ? B 11.470 11.082 -7.906 1.000 2 B 88.044 1 ATOM 2790 C C . ASP 123 123 ? B 12.837 10.959 -7.236 1.000 2 B 88.044 1 ATOM 2791 O O . ASP 123 123 ? B 13.868 11.196 -7.869 1.000 2 B 88.044 1 ATOM 2792 C CB . ASP 123 123 ? B 10.926 12.501 -7.733 1.000 2 B 88.044 1 ATOM 2793 C CG . ASP 123 123 ? B 9.734 12.793 -8.629 1.000 2 B 88.044 1 ATOM 2794 O OD1 . ASP 123 123 ? B 9.549 12.090 -9.646 1.000 2 B 88.044 1 ATOM 2795 O OD2 . ASP 123 123 ? B 8.976 13.736 -8.317 1.000 2 B 88.044 1 ATOM 2796 N N . SER 124 124 ? B 12.861 10.478 -6.012 1.000 2 B 83.474 1 ATOM 2797 C CA . SER 124 124 ? B 14.114 10.327 -5.279 1.000 2 B 83.474 1 ATOM 2798 C C . SER 124 124 ? B 14.943 9.173 -5.833 1.000 2 B 83.474 1 ATOM 2799 O O . SER 124 124 ? B 16.174 9.215 -5.801 1.000 2 B 83.474 1 ATOM 2800 C CB . SER 124 124 ? B 13.840 10.101 -3.791 1.000 2 B 83.474 1 ATOM 2801 O OG . SER 124 124 ? B 13.141 11.201 -3.236 1.000 2 B 83.474 1 ATOM 2802 N N . PHE 125 125 ? B 14.298 8.179 -6.421 1.000 2 B 79.157 1 ATOM 2803 C CA . PHE 125 125 ? B 15.001 7.015 -6.946 1.000 2 B 79.157 1 ATOM 2804 C C . PHE 125 125 ? B 15.474 7.265 -8.372 1.000 2 B 79.157 1 ATOM 2805 O O . PHE 125 125 ? B 16.489 6.712 -8.802 1.000 2 B 79.157 1 ATOM 2806 C CB . PHE 125 125 ? B 14.100 5.776 -6.901 1.000 2 B 79.157 1 ATOM 2807 C CG . PHE 125 125 ? B 13.985 5.158 -5.534 1.000 2 B 79.157 1 ATOM 2808 C CD1 . PHE 125 125 ? B 14.953 4.275 -5.072 1.000 2 B 79.157 1 ATOM 2809 C CD2 . PHE 125 125 ? B 12.908 5.460 -4.711 1.000 2 B 79.157 1 ATOM 2810 C CE1 . PHE 125 125 ? B 14.850 3.701 -3.807 1.000 2 B 79.157 1 ATOM 2811 C CE2 . PHE 125 125 ? B 12.798 4.890 -3.445 1.000 2 B 79.157 1 ATOM 2812 C CZ . PHE 125 125 ? B 13.769 4.010 -2.996 1.000 2 B 79.157 1 ATOM 2813 N N . LYS 126 126 ? B 14.730 8.133 -9.019 1.000 2 B 76.462 1 ATOM 2814 C CA . LYS 126 126 ? B 15.095 8.463 -10.393 1.000 2 B 76.462 1 ATOM 2815 C C . LYS 126 126 ? B 16.294 9.407 -10.432 1.000 2 B 76.462 1 ATOM 2816 O O . LYS 126 126 ? B 17.099 9.358 -11.364 1.000 2 B 76.462 1 ATOM 2817 C CB . LYS 126 126 ? B 13.910 9.091 -11.128 1.000 2 B 76.462 1 ATOM 2818 C CG . LYS 126 126 ? B 12.817 8.100 -11.501 1.000 2 B 76.462 1 ATOM 2819 C CD . LYS 126 126 ? B 11.726 8.758 -12.335 1.000 2 B 76.462 1 ATOM 2820 C CE . LYS 126 126 ? B 10.616 7.775 -12.681 1.000 2 B 76.462 1 ATOM 2821 N NZ . LYS 126 126 ? B 9.542 8.417 -13.497 1.000 2 B 76.462 1 ATOM 2822 N N . LYS 127 127 ? B 16.411 10.213 -9.448 1.000 2 B 71.277 1 ATOM 2823 C CA . LYS 127 127 ? B 17.487 11.199 -9.457 1.000 2 B 71.277 1 ATOM 2824 C C . LYS 127 127 ? B 18.834 10.546 -9.161 1.000 2 B 71.277 1 ATOM 2825 O O . LYS 127 127 ? B 19.873 11.011 -9.635 1.000 2 B 71.277 1 ATOM 2826 C CB . LYS 127 127 ? B 17.208 12.308 -8.441 1.000 2 B 71.277 1 ATOM 2827 C CG . LYS 127 127 ? B 16.100 13.264 -8.857 1.000 2 B 71.277 1 ATOM 2828 C CD . LYS 127 127 ? B 15.867 14.341 -7.805 1.000 2 B 71.277 1 ATOM 2829 C CE . LYS 127 127 ? B 14.694 15.240 -8.174 1.000 2 B 71.277 1 ATOM 2830 N NZ . LYS 127 127 ? B 14.525 16.358 -7.199 1.000 2 B 71.277 1 ATOM 2831 N N . GLY 128 128 ? B 18.849 9.302 -8.613 1.000 2 B 61.984 1 ATOM 2832 C CA . GLY 128 128 ? B 20.114 8.676 -8.264 1.000 2 B 61.984 1 ATOM 2833 C C . GLY 128 128 ? B 20.595 7.684 -9.306 1.000 2 B 61.984 1 ATOM 2834 O O . GLY 128 128 ? B 21.757 7.272 -9.288 1.000 2 B 61.984 1 ATOM 2835 N N . LEU 129 129 ? B 19.806 7.470 -10.400 1.000 2 B 54.345 1 ATOM 2836 C CA . LEU 129 129 ? B 20.251 6.513 -11.406 1.000 2 B 54.345 1 ATOM 2837 C C . LEU 129 129 ? B 20.540 7.211 -12.731 1.000 2 B 54.345 1 ATOM 2838 O O . LEU 129 129 ? B 19.926 8.234 -13.045 1.000 2 B 54.345 1 ATOM 2839 C CB . LEU 129 129 ? B 19.197 5.421 -11.610 1.000 2 B 54.345 1 ATOM 2840 C CG . LEU 129 129 ? B 19.108 4.353 -10.520 1.000 2 B 54.345 1 ATOM 2841 C CD1 . LEU 129 129 ? B 17.653 4.116 -10.128 1.000 2 B 54.345 1 ATOM 2842 C CD2 . LEU 129 129 ? B 19.759 3.055 -10.987 1.000 2 B 54.345 1 ATOM 2843 N N . PRO 130 130 ? B 21.864 7.024 -13.285 1.000 2 B 50.585 1 ATOM 2844 C CA . PRO 130 130 ? B 22.097 7.531 -14.640 1.000 2 B 50.585 1 ATOM 2845 C C . PRO 130 130 ? B 20.935 7.242 -15.586 1.000 2 B 50.585 1 ATOM 2846 O O . PRO 130 130 ? B 20.325 6.172 -15.513 1.000 2 B 50.585 1 ATOM 2847 C CB . PRO 130 130 ? B 23.360 6.787 -15.082 1.000 2 B 50.585 1 ATOM 2848 C CG . PRO 130 130 ? B 23.634 5.812 -13.982 1.000 2 B 50.585 1 ATOM 2849 C CD . PRO 130 130 ? B 22.630 6.034 -12.887 1.000 2 B 50.585 1 ATOM 2850 N N . ARG 131 131 ? B 19.920 8.059 -15.667 1.000 2 B 48.827 1 ATOM 2851 C CA . ARG 131 131 ? B 18.879 8.012 -16.689 1.000 2 B 48.827 1 ATOM 2852 C C . ARG 131 131 ? B 19.261 7.060 -17.817 1.000 2 B 48.827 1 ATOM 2853 O O . ARG 131 131 ? B 20.353 7.161 -18.379 1.000 2 B 48.827 1 ATOM 2854 C CB . ARG 131 131 ? B 18.614 9.411 -17.252 1.000 2 B 48.827 1 ATOM 2855 C CG . ARG 131 131 ? B 17.154 9.830 -17.200 1.000 2 B 48.827 1 ATOM 2856 C CD . ARG 131 131 ? B 16.941 11.210 -17.805 1.000 2 B 48.827 1 ATOM 2857 N NE . ARG 131 131 ? B 15.528 11.579 -17.823 1.000 2 B 48.827 1 ATOM 2858 C CZ . ARG 131 131 ? B 15.068 12.805 -18.054 1.000 2 B 48.827 1 ATOM 2859 N NH1 . ARG 131 131 ? B 15.903 13.809 -18.293 1.000 2 B 48.827 1 ATOM 2860 N NH2 . ARG 131 131 ? B 13.762 13.029 -18.048 1.000 2 B 48.827 1 ATOM 2861 N N . PRO 132 132 ? B 18.893 5.794 -17.855 1.000 2 B 45.789 1 ATOM 2862 C CA . PRO 132 132 ? B 19.072 5.070 -19.116 1.000 2 B 45.789 1 ATOM 2863 C C . PRO 132 132 ? B 18.607 5.873 -20.328 1.000 2 B 45.789 1 ATOM 2864 O O . PRO 132 132 ? B 17.626 6.616 -20.242 1.000 2 B 45.789 1 ATOM 2865 C CB . PRO 132 132 ? B 18.212 3.817 -18.928 1.000 2 B 45.789 1 ATOM 2866 C CG . PRO 132 132 ? B 17.458 4.058 -17.660 1.000 2 B 45.789 1 ATOM 2867 C CD . PRO 132 132 ? B 17.971 5.322 -17.033 1.000 2 B 45.789 1 ATOM 2868 N N . LYS 133 133 ? B 19.562 6.515 -21.034 1.000 2 B 41.773 1 ATOM 2869 C CA . LYS 133 133 ? B 19.425 6.942 -22.423 1.000 2 B 41.773 1 ATOM 2870 C C . LYS 133 133 ? B 18.706 5.885 -23.256 1.000 2 B 41.773 1 ATOM 2871 O O . LYS 133 133 ? B 19.231 4.790 -23.467 1.000 2 B 41.773 1 ATOM 2872 C CB . LYS 133 133 ? B 20.797 7.243 -23.029 1.000 2 B 41.773 1 ATOM 2873 C CG . LYS 133 133 ? B 21.450 8.506 -22.488 1.000 2 B 41.773 1 ATOM 2874 C CD . LYS 133 133 ? B 22.768 8.800 -23.193 1.000 2 B 41.773 1 ATOM 2875 C CE . LYS 133 133 ? B 23.419 10.068 -22.657 1.000 2 B 41.773 1 ATOM 2876 N NZ . LYS 133 133 ? B 24.763 10.300 -23.265 1.000 2 B 41.773 1 ATOM 2877 N N . SER 134 134 ? B 17.558 5.331 -22.923 1.000 2 B 43.844 1 ATOM 2878 C CA . SER 134 134 ? B 16.838 4.584 -23.949 1.000 2 B 43.844 1 ATOM 2879 C C . SER 134 134 ? B 15.469 5.199 -24.222 1.000 2 B 43.844 1 ATOM 2880 O O . SER 134 134 ? B 14.710 5.475 -23.291 1.000 2 B 43.844 1 ATOM 2881 C CB . SER 134 134 ? B 16.675 3.122 -23.532 1.000 2 B 43.844 1 ATOM 2882 O OG . SER 134 134 ? B 17.411 2.269 -24.392 1.000 2 B 43.844 1 ATOM 2883 N N . ALA 135 135 ? B 15.191 6.197 -25.151 1.000 2 B 41.297 1 ATOM 2884 C CA . ALA 135 135 ? B 14.518 6.149 -26.446 1.000 2 B 41.297 1 ATOM 2885 C C . ALA 135 135 ? B 13.177 5.429 -26.341 1.000 2 B 41.297 1 ATOM 2886 O O . ALA 135 135 ? B 13.108 4.299 -25.852 1.000 2 B 41.297 1 ATOM 2887 C CB . ALA 135 135 ? B 15.406 5.463 -27.482 1.000 2 B 41.297 1 ATOM 2888 N N . GLY 136 136 ? B 12.027 6.095 -25.964 1.000 2 B 41.113 1 ATOM 2889 C CA . GLY 136 136 ? B 10.875 6.048 -26.850 1.000 2 B 41.113 1 ATOM 2890 C C . GLY 136 136 ? B 9.664 5.388 -26.220 1.000 2 B 41.113 1 ATOM 2891 O O . GLY 136 136 ? B 9.769 4.298 -25.653 1.000 2 B 41.113 1 ATOM 2892 N N . THR 137 137 ? B 8.948 6.011 -25.246 1.000 2 B 38.519 1 ATOM 2893 C CA . THR 137 137 ? B 7.491 6.053 -25.279 1.000 2 B 38.519 1 ATOM 2894 C C . THR 137 137 ? B 6.919 6.140 -23.867 1.000 2 B 38.519 1 ATOM 2895 O O . THR 137 137 ? B 7.021 5.188 -23.091 1.000 2 B 38.519 1 ATOM 2896 C CB . THR 137 137 ? B 6.912 4.817 -25.994 1.000 2 B 38.519 1 ATOM 2897 O OG1 . THR 137 137 ? B 7.747 4.484 -27.110 1.000 2 B 38.519 1 ATOM 2898 C CG2 . THR 137 137 ? B 5.497 5.084 -26.495 1.000 2 B 38.519 1 ATOM 2899 N N . ALA 138 138 ? B 7.297 7.103 -23.005 1.000 2 B 42.776 1 ATOM 2900 C CA . ALA 138 138 ? B 6.484 7.741 -21.973 1.000 2 B 42.776 1 ATOM 2901 C C . ALA 138 138 ? B 4.997 7.524 -22.234 1.000 2 B 42.776 1 ATOM 2902 O O . ALA 138 138 ? B 4.451 8.035 -23.215 1.000 2 B 42.776 1 ATOM 2903 C CB . ALA 138 138 ? B 6.796 9.234 -21.897 1.000 2 B 42.776 1 ATOM 2904 N N . THR 139 139 ? B 4.570 6.343 -22.589 1.000 2 B 43.264 1 ATOM 2905 C CA . THR 139 139 ? B 3.129 6.118 -22.607 1.000 2 B 43.264 1 ATOM 2906 C C . THR 139 139 ? B 2.483 6.647 -21.330 1.000 2 B 43.264 1 ATOM 2907 O O . THR 139 139 ? B 2.795 6.183 -20.232 1.000 2 B 43.264 1 ATOM 2908 C CB . THR 139 139 ? B 2.799 4.623 -22.771 1.000 2 B 43.264 1 ATOM 2909 O OG1 . THR 139 139 ? B 3.920 3.842 -22.338 1.000 2 B 43.264 1 ATOM 2910 C CG2 . THR 139 139 ? B 2.488 4.283 -24.225 1.000 2 B 43.264 1 ATOM 2911 N N . GLN 140 140 ? B 2.763 7.857 -20.849 1.000 2 B 45.646 1 ATOM 2912 C CA . GLN 140 140 ? B 1.747 8.536 -20.051 1.000 2 B 45.646 1 ATOM 2913 C C . GLN 140 140 ? B 0.346 8.063 -20.426 1.000 2 B 45.646 1 ATOM 2914 O O . GLN 140 140 ? B -0.036 8.107 -21.598 1.000 2 B 45.646 1 ATOM 2915 C CB . GLN 140 140 ? B 1.854 10.052 -20.222 1.000 2 B 45.646 1 ATOM 2916 C CG . GLN 140 140 ? B 1.591 10.835 -18.943 1.000 2 B 45.646 1 ATOM 2917 C CD . GLN 140 140 ? B 1.079 12.239 -19.210 1.000 2 B 45.646 1 ATOM 2918 O OE1 . GLN 140 140 ? B 1.188 12.751 -20.328 1.000 2 B 45.646 1 ATOM 2919 N NE2 . GLN 140 140 ? B 0.518 12.870 -18.184 1.000 2 B 45.646 1 ATOM 2920 N N . MET 141 141 ? B 0.032 6.761 -20.364 1.000 2 B 37.174 1 ATOM 2921 C CA . MET 141 141 ? B -1.305 6.175 -20.352 1.000 2 B 37.174 1 ATOM 2922 C C . MET 141 141 ? B -2.371 7.256 -20.210 1.000 2 B 37.174 1 ATOM 2923 O O . MET 141 141 ? B -2.257 8.138 -19.357 1.000 2 B 37.174 1 ATOM 2924 C CB . MET 141 141 ? B -1.438 5.158 -19.218 1.000 2 B 37.174 1 ATOM 2925 C CG . MET 141 141 ? B -2.215 3.909 -19.602 1.000 2 B 37.174 1 ATOM 2926 S SD . MET 141 141 ? B -2.148 2.612 -18.306 1.000 2 B 37.174 1 ATOM 2927 C CE . MET 141 141 ? B -3.704 1.742 -18.643 1.000 2 B 37.174 1 ATOM 2928 N N . ARG 142 142 ? B -2.649 7.976 -21.280 1.000 2 B 40.419 1 ATOM 2929 C CA . ARG 142 142 ? B -4.011 8.339 -21.658 1.000 2 B 40.419 1 ATOM 2930 C C . ARG 142 142 ? B -4.991 8.039 -20.529 1.000 2 B 40.419 1 ATOM 2931 O O . ARG 142 142 ? B -5.023 6.923 -20.007 1.000 2 B 40.419 1 ATOM 2932 C CB . ARG 142 142 ? B -4.433 7.597 -22.928 1.000 2 B 40.419 1 ATOM 2933 C CG . ARG 142 142 ? B -4.964 8.506 -24.026 1.000 2 B 40.419 1 ATOM 2934 C CD . ARG 142 142 ? B -5.496 7.710 -25.209 1.000 2 B 40.419 1 ATOM 2935 N NE . ARG 142 142 ? B -6.260 8.552 -26.125 1.000 2 B 40.419 1 ATOM 2936 C CZ . ARG 142 142 ? B -7.480 8.270 -26.574 1.000 2 B 40.419 1 ATOM 2937 N NH1 . ARG 142 142 ? B -8.101 7.158 -26.198 1.000 2 B 40.419 1 ATOM 2938 N NH2 . ARG 142 142 ? B -8.085 9.107 -27.405 1.000 2 B 40.419 1 ATOM 2939 N N . GLN 143 143 ? B -4.955 8.746 -19.463 1.000 2 B 44.433 1 ATOM 2940 C CA . GLN 143 143 ? B -6.072 9.099 -18.594 1.000 2 B 44.433 1 ATOM 2941 C C . GLN 143 143 ? B -7.338 8.346 -18.992 1.000 2 B 44.433 1 ATOM 2942 O O . GLN 143 143 ? B -7.915 8.607 -20.050 1.000 2 B 44.433 1 ATOM 2943 C CB . GLN 143 143 ? B -6.325 10.607 -18.629 1.000 2 B 44.433 1 ATOM 2944 C CG . GLN 143 143 ? B -5.346 11.414 -17.788 1.000 2 B 44.433 1 ATOM 2945 C CD . GLN 143 143 ? B -5.846 12.815 -17.488 1.000 2 B 44.433 1 ATOM 2946 O OE1 . GLN 143 143 ? B -6.605 13.398 -18.268 1.000 2 B 44.433 1 ATOM 2947 N NE2 . GLN 143 143 ? B -5.423 13.365 -16.354 1.000 2 B 44.433 1 ATOM 2948 N N . SER 144 144 ? B -7.270 7.022 -19.248 1.000 2 B 41.292 1 ATOM 2949 C CA . SER 144 144 ? B -8.574 6.467 -19.596 1.000 2 B 41.292 1 ATOM 2950 C C . SER 144 144 ? B -9.622 6.818 -18.546 1.000 2 B 41.292 1 ATOM 2951 O O . SER 144 144 ? B -9.450 6.514 -17.364 1.000 2 B 41.292 1 ATOM 2952 C CB . SER 144 144 ? B -8.486 4.949 -19.754 1.000 2 B 41.292 1 ATOM 2953 O OG . SER 144 144 ? B -8.190 4.331 -18.513 1.000 2 B 41.292 1 ATOM 2954 N N . SER 145 145 ? B -9.988 8.070 -18.385 1.000 2 B 48.609 1 ATOM 2955 C CA . SER 145 145 ? B -11.251 8.557 -17.840 1.000 2 B 48.609 1 ATOM 2956 C C . SER 145 145 ? B -12.277 7.433 -17.734 1.000 2 B 48.609 1 ATOM 2957 O O . SER 145 145 ? B -13.206 7.508 -16.927 1.000 2 B 48.609 1 ATOM 2958 C CB . SER 145 145 ? B -11.809 9.688 -18.705 1.000 2 B 48.609 1 ATOM 2959 O OG . SER 145 145 ? B -11.940 9.271 -20.054 1.000 2 B 48.609 1 ATOM 2960 N N . SER 146 146 ? B -11.994 6.155 -18.314 1.000 2 B 52.549 1 ATOM 2961 C CA . SER 146 146 ? B -13.047 5.144 -18.326 1.000 2 B 52.549 1 ATOM 2962 C C . SER 146 146 ? B -12.931 4.209 -17.127 1.000 2 B 52.549 1 ATOM 2963 O O . SER 146 146 ? B -13.882 3.500 -16.791 1.000 2 B 52.549 1 ATOM 2964 C CB . SER 146 146 ? B -12.997 4.334 -19.622 1.000 2 B 52.549 1 ATOM 2965 O OG . SER 146 146 ? B -11.820 3.547 -19.678 1.000 2 B 52.549 1 ATOM 2966 N N . TRP 147 147 ? B -11.911 4.349 -16.373 1.000 2 B 58.850 1 ATOM 2967 C CA . TRP 147 147 ? B -11.800 3.381 -15.287 1.000 2 B 58.850 1 ATOM 2968 C C . TRP 147 147 ? B -12.544 3.866 -14.047 1.000 2 B 58.850 1 ATOM 2969 O O . TRP 147 147 ? B -13.022 3.059 -13.247 1.000 2 B 58.850 1 ATOM 2970 C CB . TRP 147 147 ? B -10.330 3.121 -14.946 1.000 2 B 58.850 1 ATOM 2971 C CG . TRP 147 147 ? B -9.638 4.286 -14.306 1.000 2 B 58.850 1 ATOM 2972 C CD1 . TRP 147 147 ? B -8.984 5.306 -14.939 1.000 2 B 58.850 1 ATOM 2973 C CD2 . TRP 147 147 ? B -9.526 4.547 -12.903 1.000 2 B 58.850 1 ATOM 2974 N NE1 . TRP 147 147 ? B -8.474 6.187 -14.014 1.000 2 B 58.850 1 ATOM 2975 C CE2 . TRP 147 147 ? B -8.792 5.745 -12.758 1.000 2 B 58.850 1 ATOM 2976 C CE3 . TRP 147 147 ? B -9.978 3.885 -11.754 1.000 2 B 58.850 1 ATOM 2977 C CZ2 . TRP 147 147 ? B -8.498 6.294 -11.508 1.000 2 B 58.850 1 ATOM 2978 C CZ3 . TRP 147 147 ? B -9.684 4.433 -10.510 1.000 2 B 58.850 1 ATOM 2979 C CH2 . TRP 147 147 ? B -8.952 5.626 -10.400 1.000 2 B 58.850 1 ATOM 2980 N N . THR 148 148 ? B -12.688 5.296 -13.719 1.000 2 B 55.775 1 ATOM 2981 C CA . THR 148 148 ? B -13.463 5.779 -12.582 1.000 2 B 55.775 1 ATOM 2982 C C . THR 148 148 ? B -14.885 5.226 -12.622 1.000 2 B 55.775 1 ATOM 2983 O O . THR 148 148 ? B -15.457 4.894 -11.581 1.000 2 B 55.775 1 ATOM 2984 C CB . THR 148 148 ? B -13.509 7.318 -12.550 1.000 2 B 55.775 1 ATOM 2985 O OG1 . THR 148 148 ? B -13.767 7.809 -13.871 1.000 2 B 55.775 1 ATOM 2986 C CG2 . THR 148 148 ? B -12.188 7.897 -12.054 1.000 2 B 55.775 1 ATOM 2987 N N . ARG 149 149 ? B -15.503 4.946 -13.859 1.000 2 B 61.665 1 ATOM 2988 C CA . ARG 149 149 ? B -16.870 4.457 -14.000 1.000 2 B 61.665 1 ATOM 2989 C C . ARG 149 149 ? B -16.961 2.976 -13.647 1.000 2 B 61.665 1 ATOM 2990 O O . ARG 149 149 ? B -17.934 2.538 -13.031 1.000 2 B 61.665 1 ATOM 2991 C CB . ARG 149 149 ? B -17.380 4.688 -15.424 1.000 2 B 61.665 1 ATOM 2992 C CG . ARG 149 149 ? B -17.869 6.105 -15.681 1.000 2 B 61.665 1 ATOM 2993 C CD . ARG 149 149 ? B -18.592 6.219 -17.015 1.000 2 B 61.665 1 ATOM 2994 N NE . ARG 149 149 ? B -17.864 7.070 -17.952 1.000 2 B 61.665 1 ATOM 2995 C CZ . ARG 149 149 ? B -17.653 6.779 -19.233 1.000 2 B 61.665 1 ATOM 2996 N NH1 . ARG 149 149 ? B -18.113 5.648 -19.756 1.000 2 B 61.665 1 ATOM 2997 N NH2 . ARG 149 149 ? B -16.977 7.625 -19.996 1.000 2 B 61.665 1 ATOM 2998 N N . VAL 150 150 ? B -15.825 2.198 -14.074 1.000 2 B 59.254 1 ATOM 2999 C CA . VAL 150 150 ? B -15.799 0.770 -13.773 1.000 2 B 59.254 1 ATOM 3000 C C . VAL 150 150 ? B -15.667 0.561 -12.267 1.000 2 B 59.254 1 ATOM 3001 O O . VAL 150 150 ? B -16.327 -0.309 -11.694 1.000 2 B 59.254 1 ATOM 3002 C CB . VAL 150 150 ? B -14.647 0.055 -14.514 1.000 2 B 59.254 1 ATOM 3003 C CG1 . VAL 150 150 ? B -14.565 -1.412 -14.096 1.000 2 B 59.254 1 ATOM 3004 C CG2 . VAL 150 150 ? B -14.829 0.174 -16.025 1.000 2 B 59.254 1 ATOM 3005 N N . PHE 151 151 ? B -15.050 1.580 -11.591 1.000 2 B 57.847 1 ATOM 3006 C CA . PHE 151 151 ? B -14.871 1.512 -10.145 1.000 2 B 57.847 1 ATOM 3007 C C . PHE 151 151 ? B -16.179 1.812 -9.423 1.000 2 B 57.847 1 ATOM 3008 O O . PHE 151 151 ? B -16.531 1.134 -8.456 1.000 2 B 57.847 1 ATOM 3009 C CB . PHE 151 151 ? B -13.783 2.489 -9.689 1.000 2 B 57.847 1 ATOM 3010 C CG . PHE 151 151 ? B -12.383 1.989 -9.921 1.000 2 B 57.847 1 ATOM 3011 C CD1 . PHE 151 151 ? B -11.799 1.085 -9.043 1.000 2 B 57.847 1 ATOM 3012 C CD2 . PHE 151 151 ? B -11.650 2.425 -11.017 1.000 2 B 57.847 1 ATOM 3013 C CE1 . PHE 151 151 ? B -10.502 0.620 -9.254 1.000 2 B 57.847 1 ATOM 3014 C CE2 . PHE 151 151 ? B -10.354 1.965 -11.235 1.000 2 B 57.847 1 ATOM 3015 C CZ . PHE 151 151 ? B -9.782 1.064 -10.352 1.000 2 B 57.847 1 ATOM 3016 N N . GLN 152 152 ? B -16.886 2.899 -9.871 1.000 2 B 64.990 1 ATOM 3017 C CA . GLN 152 152 ? B -18.154 3.246 -9.237 1.000 2 B 64.990 1 ATOM 3018 C C . GLN 152 152 ? B -19.169 2.116 -9.383 1.000 2 B 64.990 1 ATOM 3019 O O . GLN 152 152 ? B -19.915 1.820 -8.447 1.000 2 B 64.990 1 ATOM 3020 C CB . GLN 152 152 ? B -18.717 4.537 -9.834 1.000 2 B 64.990 1 ATOM 3021 C CG . GLN 152 152 ? B -18.295 5.795 -9.087 1.000 2 B 64.990 1 ATOM 3022 C CD . GLN 152 152 ? B -18.365 7.041 -9.949 1.000 2 B 64.990 1 ATOM 3023 O OE1 . GLN 152 152 ? B -19.129 7.100 -10.918 1.000 2 B 64.990 1 ATOM 3024 N NE2 . GLN 152 152 ? B -17.567 8.046 -9.604 1.000 2 B 64.990 1 ATOM 3025 N N . SER 153 153 ? B -19.168 1.455 -10.621 1.000 2 B 60.627 1 ATOM 3026 C CA . SER 153 153 ? B -20.135 0.403 -10.917 1.000 2 B 60.627 1 ATOM 3027 C C . SER 153 153 ? B -19.862 -0.847 -10.088 1.000 2 B 60.627 1 ATOM 3028 O O . SER 153 153 ? B -20.795 -1.499 -9.613 1.000 2 B 60.627 1 ATOM 3029 C CB . SER 153 153 ? B -20.108 0.053 -12.406 1.000 2 B 60.627 1 ATOM 3030 O OG . SER 153 153 ? B -18.844 -0.471 -12.776 1.000 2 B 60.627 1 ATOM 3031 N N . TRP 154 154 ? B -18.615 -1.130 -9.995 1.000 2 B 61.699 1 ATOM 3032 C CA . TRP 154 154 ? B -18.201 -2.248 -9.154 1.000 2 B 61.699 1 ATOM 3033 C C . TRP 154 154 ? B -18.533 -1.980 -7.690 1.000 2 B 61.699 1 ATOM 3034 O O . TRP 154 154 ? B -19.069 -2.849 -6.998 1.000 2 B 61.699 1 ATOM 3035 C CB . TRP 154 154 ? B -16.702 -2.514 -9.310 1.000 2 B 61.699 1 ATOM 3036 C CG . TRP 154 154 ? B -16.144 -3.470 -8.299 1.000 2 B 61.699 1 ATOM 3037 C CD1 . TRP 154 154 ? B -16.264 -4.832 -8.298 1.000 2 B 61.699 1 ATOM 3038 C CD2 . TRP 154 154 ? B -15.381 -3.133 -7.135 1.000 2 B 61.699 1 ATOM 3039 N NE1 . TRP 154 154 ? B -15.620 -5.363 -7.204 1.000 2 B 61.699 1 ATOM 3040 C CE2 . TRP 154 154 ? B -15.071 -4.343 -6.475 1.000 2 B 61.699 1 ATOM 3041 C CE3 . TRP 154 154 ? B -14.929 -1.926 -6.587 1.000 2 B 61.699 1 ATOM 3042 C CZ2 . TRP 154 154 ? B -14.328 -4.379 -5.293 1.000 2 B 61.699 1 ATOM 3043 C CZ3 . TRP 154 154 ? B -14.190 -1.964 -5.411 1.000 2 B 61.699 1 ATOM 3044 C CH2 . TRP 154 154 ? B -13.898 -3.183 -4.778 1.000 2 B 61.699 1 ATOM 3045 N N . TRP 155 155 ? B -18.094 -0.717 -7.221 1.000 2 B 61.066 1 ATOM 3046 C CA . TRP 155 155 ? B -18.349 -0.366 -5.828 1.000 2 B 61.066 1 ATOM 3047 C C . TRP 155 155 ? B -19.842 -0.421 -5.518 1.000 2 B 61.066 1 ATOM 3048 O O . TRP 155 155 ? B -20.242 -0.866 -4.440 1.000 2 B 61.066 1 ATOM 3049 C CB . TRP 155 155 ? B -17.801 1.028 -5.515 1.000 2 B 61.066 1 ATOM 3050 C CG . TRP 155 155 ? B -17.009 1.100 -4.244 1.000 2 B 61.066 1 ATOM 3051 C CD1 . TRP 155 155 ? B -17.497 1.256 -2.977 1.000 2 B 61.066 1 ATOM 3052 C CD2 . TRP 155 155 ? B -15.585 1.023 -4.119 1.000 2 B 61.066 1 ATOM 3053 N NE1 . TRP 155 155 ? B -16.462 1.280 -2.070 1.000 2 B 61.066 1 ATOM 3054 C CE2 . TRP 155 155 ? B -15.280 1.139 -2.745 1.000 2 B 61.066 1 ATOM 3055 C CE3 . TRP 155 155 ? B -14.538 0.867 -5.037 1.000 2 B 61.066 1 ATOM 3056 C CZ2 . TRP 155 155 ? B -13.968 1.103 -2.266 1.000 2 B 61.066 1 ATOM 3057 C CZ3 . TRP 155 155 ? B -13.233 0.831 -4.558 1.000 2 B 61.066 1 ATOM 3058 C CH2 . TRP 155 155 ? B -12.962 0.949 -3.185 1.000 2 B 61.066 1 ATOM 3059 N N . ASP 156 156 ? B -20.675 -0.057 -6.446 1.000 2 B 62.178 1 ATOM 3060 C CA . ASP 156 156 ? B -22.125 -0.102 -6.286 1.000 2 B 62.178 1 ATOM 3061 C C . ASP 156 156 ? B -22.625 -1.544 -6.220 1.000 2 B 62.178 1 ATOM 3062 O O . ASP 156 156 ? B -23.565 -1.847 -5.482 1.000 2 B 62.178 1 ATOM 3063 C CB . ASP 156 156 ? B -22.815 0.642 -7.431 1.000 2 B 62.178 1 ATOM 3064 C CG . ASP 156 156 ? B -22.687 2.151 -7.321 1.000 2 B 62.178 1 ATOM 3065 O OD1 . ASP 156 156 ? B -22.471 2.664 -6.201 1.000 2 B 62.178 1 ATOM 3066 O OD2 . ASP 156 156 ? B -22.804 2.833 -8.361 1.000 2 B 62.178 1 ATOM 3067 N N . ARG 157 157 ? B -21.843 -2.450 -6.881 1.000 2 B 60.071 1 ATOM 3068 C CA . ARG 157 157 ? B -22.273 -3.844 -6.925 1.000 2 B 60.071 1 ATOM 3069 C C . ARG 157 157 ? B -21.909 -4.570 -5.634 1.000 2 B 60.071 1 ATOM 3070 O O . ARG 157 157 ? B -22.660 -5.427 -5.165 1.000 2 B 60.071 1 ATOM 3071 C CB . ARG 157 157 ? B -21.650 -4.562 -8.123 1.000 2 B 60.071 1 ATOM 3072 C CG . ARG 157 157 ? B -22.270 -4.184 -9.459 1.000 2 B 60.071 1 ATOM 3073 C CD . ARG 157 157 ? B -21.684 -4.998 -10.604 1.000 2 B 60.071 1 ATOM 3074 N NE . ARG 157 157 ? B -22.228 -4.584 -11.894 1.000 2 B 60.071 1 ATOM 3075 C CZ . ARG 157 157 ? B -22.344 -5.375 -12.957 1.000 2 B 60.071 1 ATOM 3076 N NH1 . ARG 157 157 ? B -21.954 -6.643 -12.904 1.000 2 B 60.071 1 ATOM 3077 N NH2 . ARG 157 157 ? B -22.854 -4.895 -14.081 1.000 2 B 60.071 1 ATOM 3078 N N . ASN 158 158 ? B -20.765 -4.115 -4.938 1.000 2 B 54.125 1 ATOM 3079 C CA . ASN 158 158 ? B -20.350 -4.788 -3.711 1.000 2 B 54.125 1 ATOM 3080 C C . ASN 158 158 ? B -20.961 -4.130 -2.477 1.000 2 B 54.125 1 ATOM 3081 O O . ASN 158 158 ? B -21.060 -4.755 -1.420 1.000 2 B 54.125 1 ATOM 3082 C CB . ASN 158 158 ? B -18.824 -4.809 -3.600 1.000 2 B 54.125 1 ATOM 3083 C CG . ASN 158 158 ? B -18.212 -6.060 -4.199 1.000 2 B 54.125 1 ATOM 3084 O OD1 . ASN 158 158 ? B -18.919 -7.021 -4.515 1.000 2 B 54.125 1 ATOM 3085 N ND2 . ASN 158 158 ? B -16.894 -6.057 -4.360 1.000 2 B 54.125 1 ATOM 3086 N N . LEU 159 159 ? B -21.455 -2.768 -2.609 1.000 2 B 51.892 1 ATOM 3087 C CA . LEU 159 159 ? B -22.191 -2.089 -1.548 1.000 2 B 51.892 1 ATOM 3088 C C . LEU 159 159 ? B -23.643 -2.554 -1.510 1.000 2 B 51.892 1 ATOM 3089 O O . LEU 159 159 ? B -24.252 -2.615 -0.439 1.000 2 B 51.892 1 ATOM 3090 C CB . LEU 159 159 ? B -22.133 -0.572 -1.741 1.000 2 B 51.892 1 ATOM 3091 C CG . LEU 159 159 ? B -20.798 0.102 -1.421 1.000 2 B 51.892 1 ATOM 3092 C CD1 . LEU 159 159 ? B -20.812 1.554 -1.887 1.000 2 B 51.892 1 ATOM 3093 C CD2 . LEU 159 159 ? B -20.500 0.017 0.072 1.000 2 B 51.892 1 ATOM 3094 N N . GLY 160 160 ? B -24.201 -3.369 -2.519 1.000 2 B 44.217 1 ATOM 3095 C CA . GLY 160 160 ? B -25.647 -3.522 -2.552 1.000 2 B 44.217 1 ATOM 3096 C C . GLY 160 160 ? B -26.091 -4.965 -2.700 1.000 2 B 44.217 1 ATOM 3097 O O . GLY 160 160 ? B -27.289 -5.249 -2.762 1.000 2 B 44.217 1 ATOM 3098 N N . ARG 161 161 ? B -25.533 -5.954 -2.028 1.000 2 B 42.811 1 ATOM 3099 C CA . ARG 161 161 ? B -26.346 -7.165 -1.959 1.000 2 B 42.811 1 ATOM 3100 C C . ARG 161 161 ? B -26.601 -7.571 -0.511 1.000 2 B 42.811 1 ATOM 3101 O O . ARG 161 161 ? B -25.709 -8.096 0.158 1.000 2 B 42.811 1 ATOM 3102 C CB . ARG 161 161 ? B -25.669 -8.311 -2.713 1.000 2 B 42.811 1 ATOM 3103 C CG . ARG 161 161 ? B -26.601 -9.465 -3.046 1.000 2 B 42.811 1 ATOM 3104 C CD . ARG 161 161 ? B -25.900 -10.538 -3.867 1.000 2 B 42.811 1 ATOM 3105 N NE . ARG 161 161 ? B -26.421 -10.601 -5.229 1.000 2 B 42.811 1 ATOM 3106 C CZ . ARG 161 161 ? B -27.080 -11.636 -5.742 1.000 2 B 42.811 1 ATOM 3107 N NH1 . ARG 161 161 ? B -27.313 -12.721 -5.011 1.000 2 B 42.811 1 ATOM 3108 N NH2 . ARG 161 161 ? B -27.510 -11.588 -6.994 1.000 2 B 42.811 1 ATOM 3109 N N . GLY 162 162 ? B -26.831 -6.675 0.397 1.000 2 B 42.204 1 ATOM 3110 C CA . GLY 162 162 ? B -27.406 -7.089 1.667 1.000 2 B 42.204 1 ATOM 3111 C C . GLY 162 162 ? B -28.715 -6.390 1.985 1.000 2 B 42.204 1 ATOM 3112 O O . GLY 162 162 ? B -28.771 -5.159 2.035 1.000 2 B 42.204 1 ATOM 3113 N N . SER 163 163 ? B -29.825 -6.418 1.150 1.000 2 B 37.397 1 ATOM 3114 C CA . SER 163 163 ? B -31.128 -6.498 1.802 1.000 2 B 37.397 1 ATOM 3115 C C . SER 163 163 ? B -32.259 -6.245 0.810 1.000 2 B 37.397 1 ATOM 3116 O O . SER 163 163 ? B -32.372 -5.150 0.255 1.000 2 B 37.397 1 ATOM 3117 C CB . SER 163 163 ? B -31.214 -5.494 2.952 1.000 2 B 37.397 1 ATOM 3118 O OG . SER 163 163 ? B -31.235 -4.165 2.460 1.000 2 B 37.397 1 ATOM 3119 N N . SER 164 164 ? B -32.455 -6.986 -0.268 1.000 2 B 37.555 1 ATOM 3120 C CA . SER 164 164 ? B -33.882 -7.015 -0.569 1.000 2 B 37.555 1 ATOM 3121 C C . SER 164 164 ? B -34.374 -8.443 -0.779 1.000 2 B 37.555 1 ATOM 3122 O O . SER 164 164 ? B -33.920 -9.133 -1.694 1.000 2 B 37.555 1 ATOM 3123 C CB . SER 164 164 ? B -34.186 -6.174 -1.810 1.000 2 B 37.555 1 ATOM 3124 O OG . SER 164 164 ? B -33.364 -5.020 -1.850 1.000 2 B 37.555 1 ATOM 3125 N N . ALA 165 165 ? B -34.327 -9.320 0.230 1.000 2 B 37.555 1 ATOM 3126 C CA . ALA 165 165 ? B -35.349 -10.363 0.241 1.000 2 B 37.555 1 ATOM 3127 C C . ALA 165 165 ? B -36.674 -9.838 -0.304 1.000 2 B 37.555 1 ATOM 3128 O O . ALA 165 165 ? B -37.111 -8.743 0.057 1.000 2 B 37.555 1 ATOM 3129 C CB . ALA 165 165 ? B -35.537 -10.908 1.655 1.000 2 B 37.555 1 ATOM 3130 N N . PRO 166 166 ? B -37.127 -10.201 -1.550 1.000 2 B 42.554 1 ATOM 3131 C CA . PRO 166 166 ? B -38.541 -9.919 -1.808 1.000 2 B 42.554 1 ATOM 3132 C C . PRO 166 166 ? B -39.477 -10.746 -0.930 1.000 2 B 42.554 1 ATOM 3133 O O . PRO 166 166 ? B -39.215 -11.925 -0.680 1.000 2 B 42.554 1 ATOM 3134 C CB . PRO 166 166 ? B -38.710 -10.288 -3.284 1.000 2 B 42.554 1 ATOM 3135 C CG . PRO 166 166 ? B -37.544 -11.170 -3.594 1.000 2 B 42.554 1 ATOM 3136 C CD . PRO 166 166 ? B -36.614 -11.162 -2.415 1.000 2 B 42.554 1 ATOM 3137 N N . SER 167 167 ? B -39.825 -10.233 0.284 1.000 2 B 33.613 1 ATOM 3138 C CA . SER 167 167 ? B -41.169 -10.361 0.838 1.000 2 B 33.613 1 ATOM 3139 C C . SER 167 167 ? B -42.221 -10.397 -0.265 1.000 2 B 33.613 1 ATOM 3140 O O . SER 167 167 ? B -42.210 -9.557 -1.168 1.000 2 B 33.613 1 ATOM 3141 C CB . SER 167 167 ? B -41.465 -9.209 1.799 1.000 2 B 33.613 1 ATOM 3142 O OG . SER 167 167 ? B -41.794 -8.030 1.085 1.000 2 B 33.613 1 ATOM 3143 N N . GLN 168 168 ? B -42.382 -11.501 -0.913 1.000 2 B 38.461 1 ATOM 3144 C CA . GLN 168 168 ? B -43.673 -12.118 -1.196 1.000 2 B 38.461 1 ATOM 3145 C C . GLN 168 168 ? B -43.543 -13.633 -1.323 1.000 2 B 38.461 1 ATOM 3146 O O . GLN 168 168 ? B -42.574 -14.132 -1.900 1.000 2 B 38.461 1 ATOM 3147 C CB . GLN 168 168 ? B -44.281 -11.534 -2.472 1.000 2 B 38.461 1 ATOM 3148 C CG . GLN 168 168 ? B -45.027 -10.225 -2.255 1.000 2 B 38.461 1 ATOM 3149 C CD . GLN 168 168 ? B -46.108 -9.987 -3.292 1.000 2 B 38.461 1 ATOM 3150 O OE1 . GLN 168 168 ? B -46.498 -10.902 -4.024 1.000 2 B 38.461 1 ATOM 3151 N NE2 . GLN 168 168 ? B -46.600 -8.754 -3.364 1.000 2 B 38.461 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-t3vr3-305 https://modelarchive.org/api/projects/ma-t3vr3-305?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-t3vr3-305_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error and contact probability' . 2 1 P10415_Q92934.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 64.967 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 36.042 2 1 A 2 ALA 2 41.263 3 1 A 3 HIS 2 44.244 4 1 A 4 ALA 2 48.603 5 1 A 5 GLY 2 49.246 6 1 A 6 ARG 2 56.874 7 1 A 7 THR 2 64.499 8 1 A 8 GLY 2 76.883 9 1 A 9 TYR 2 88.358 10 1 A 10 ASP 2 91.883 11 1 A 11 ASN 2 93.965 12 1 A 12 ARG 2 95.554 13 1 A 13 GLU 2 94.664 14 1 A 14 ILE 2 96.050 15 1 A 15 VAL 2 97.442 16 1 A 16 MET 2 96.203 17 1 A 17 LYS 2 95.913 18 1 A 18 TYR 2 97.368 19 1 A 19 ILE 2 97.257 20 1 A 20 HIS 2 96.402 21 1 A 21 TYR 2 96.460 22 1 A 22 LYS 2 96.652 23 1 A 23 LEU 2 96.635 24 1 A 24 SER 2 96.349 25 1 A 25 GLN 2 94.377 26 1 A 26 ARG 2 94.328 27 1 A 27 GLY 2 95.048 28 1 A 28 TYR 2 94.615 29 1 A 29 GLU 2 92.166 30 1 A 30 TRP 2 90.445 31 1 A 31 ASP 2 83.843 32 1 A 32 ALA 2 69.265 33 1 A 33 GLY 2 63.514 34 1 A 34 ASP 2 49.431 35 1 A 35 VAL 2 51.883 36 1 A 36 GLY 2 47.313 37 1 A 37 ALA 2 39.397 38 1 A 38 ALA 2 36.371 39 1 A 39 PRO 2 37.009 40 1 A 40 PRO 2 40.071 41 1 A 41 GLY 2 39.226 42 1 A 42 ALA 2 32.942 43 1 A 43 ALA 2 34.965 44 1 A 44 PRO 2 38.413 45 1 A 45 ALA 2 38.109 46 1 A 46 PRO 2 42.721 47 1 A 47 GLY 2 45.076 48 1 A 48 ILE 2 38.212 49 1 A 49 PHE 2 42.721 50 1 A 50 SER 2 38.767 51 1 A 51 SER 2 37.737 52 1 A 52 GLN 2 30.230 53 1 A 53 PRO 2 37.575 54 1 A 54 GLY 2 30.134 55 1 A 55 HIS 2 28.668 56 1 A 56 THR 2 33.719 57 1 A 57 PRO 2 41.685 58 1 A 58 HIS 2 32.142 59 1 A 59 PRO 2 38.742 60 1 A 60 ALA 2 29.421 61 1 A 61 ALA 2 30.533 62 1 A 62 SER 2 30.547 63 1 A 63 ARG 2 39.995 64 1 A 64 ASP 2 34.040 65 1 A 65 PRO 2 48.950 66 1 A 66 VAL 2 31.022 67 1 A 67 ALA 2 31.762 68 1 A 68 ARG 2 33.940 69 1 A 69 THR 2 30.397 70 1 A 70 SER 2 33.158 71 1 A 71 PRO 2 40.602 72 1 A 72 LEU 2 36.725 73 1 A 73 GLN 2 29.152 74 1 A 74 THR 2 38.530 75 1 A 75 PRO 2 39.552 76 1 A 76 ALA 2 32.590 77 1 A 77 ALA 2 36.045 78 1 A 78 PRO 2 41.484 79 1 A 79 GLY 2 37.830 80 1 A 80 ALA 2 40.674 81 1 A 81 ALA 2 39.793 82 1 A 82 ALA 2 45.958 83 1 A 83 GLY 2 45.370 84 1 A 84 PRO 2 57.000 85 1 A 85 ALA 2 64.229 86 1 A 86 LEU 2 71.254 87 1 A 87 SER 2 78.004 88 1 A 88 PRO 2 84.641 89 1 A 89 VAL 2 86.856 90 1 A 90 PRO 2 89.662 91 1 A 91 PRO 2 92.130 92 1 A 92 VAL 2 91.951 93 1 A 93 VAL 2 93.921 94 1 A 94 HIS 2 94.801 95 1 A 95 LEU 2 94.371 96 1 A 96 THR 2 94.733 97 1 A 97 LEU 2 96.485 98 1 A 98 ARG 2 95.664 99 1 A 99 GLN 2 94.321 100 1 A 100 ALA 2 95.105 101 1 A 101 GLY 2 96.239 102 1 A 102 ASP 2 95.027 103 1 A 103 ASP 2 94.217 104 1 A 104 PHE 2 94.868 105 1 A 105 SER 2 94.019 106 1 A 106 ARG 2 93.796 107 1 A 107 ARG 2 92.702 108 1 A 108 TYR 2 93.119 109 1 A 109 ARG 2 91.096 110 1 A 110 ARG 2 92.210 111 1 A 111 ASP 2 90.632 112 1 A 112 PHE 2 88.898 113 1 A 113 ALA 2 87.884 114 1 A 114 GLU 2 90.273 115 1 A 115 MET 2 86.912 116 1 A 116 SER 2 85.573 117 1 A 117 SER 2 86.599 118 1 A 118 GLN 2 86.007 119 1 A 119 LEU 2 85.755 120 1 A 120 HIS 2 84.455 121 1 A 121 LEU 2 88.085 122 1 A 122 THR 2 89.388 123 1 A 123 PRO 2 89.947 124 1 A 124 PHE 2 90.453 125 1 A 125 THR 2 90.196 126 1 A 126 ALA 2 92.306 127 1 A 127 ARG 2 92.615 128 1 A 128 GLY 2 92.292 129 1 A 129 ARG 2 92.348 130 1 A 130 PHE 2 94.624 131 1 A 131 ALA 2 94.288 132 1 A 132 THR 2 94.216 133 1 A 133 VAL 2 95.396 134 1 A 134 VAL 2 96.029 135 1 A 135 GLU 2 95.038 136 1 A 136 GLU 2 95.749 137 1 A 137 LEU 2 96.403 138 1 A 138 PHE 2 96.577 139 1 A 139 ARG 2 94.938 140 1 A 140 ASP 2 93.832 141 1 A 141 GLY 2 94.088 142 1 A 142 VAL 2 95.760 143 1 A 143 ASN 2 95.100 144 1 A 144 TRP 2 95.717 145 1 A 145 GLY 2 96.117 146 1 A 146 ARG 2 97.548 147 1 A 147 ILE 2 97.739 148 1 A 148 VAL 2 97.528 149 1 A 149 ALA 2 97.598 150 1 A 150 PHE 2 98.248 151 1 A 151 PHE 2 98.263 152 1 A 152 GLU 2 97.612 153 1 A 153 PHE 2 97.073 154 1 A 154 GLY 2 96.962 155 1 A 155 GLY 2 96.374 156 1 A 156 VAL 2 94.684 157 1 A 157 MET 2 94.943 158 1 A 158 CYS 2 96.028 159 1 A 159 VAL 2 95.073 160 1 A 160 GLU 2 93.933 161 1 A 161 SER 2 94.483 162 1 A 162 VAL 2 94.831 163 1 A 163 ASN 2 93.407 164 1 A 164 ARG 2 93.378 165 1 A 165 GLU 2 92.460 166 1 A 166 MET 2 94.013 167 1 A 167 SER 2 91.920 168 1 A 168 PRO 2 92.297 169 1 A 169 LEU 2 93.878 170 1 A 170 VAL 2 96.218 171 1 A 171 ASP 2 95.485 172 1 A 172 ASN 2 95.494 173 1 A 173 ILE 2 96.039 174 1 A 174 ALA 2 96.989 175 1 A 175 LEU 2 96.333 176 1 A 176 TRP 2 96.599 177 1 A 177 MET 2 97.833 178 1 A 178 THR 2 96.804 179 1 A 179 GLU 2 96.059 180 1 A 180 TYR 2 96.179 181 1 A 181 LEU 2 95.745 182 1 A 182 ASN 2 94.742 183 1 A 183 ARG 2 92.381 184 1 A 184 HIS 2 91.995 185 1 A 185 LEU 2 94.985 186 1 A 186 HIS 2 93.547 187 1 A 187 THR 2 91.940 188 1 A 188 TRP 2 94.078 189 1 A 189 ILE 2 93.022 190 1 A 190 GLN 2 92.200 191 1 A 191 ASP 2 91.523 192 1 A 192 ASN 2 91.149 193 1 A 193 GLY 2 90.645 194 1 A 194 GLY 2 91.985 195 1 A 195 TRP 2 93.433 196 1 A 196 ASP 2 91.574 197 1 A 197 ALA 2 91.147 198 1 A 198 PHE 2 93.020 199 1 A 199 VAL 2 92.463 200 1 A 200 GLU 2 90.837 201 1 A 201 LEU 2 89.633 202 1 A 202 TYR 2 88.494 203 1 A 203 GLY 2 81.344 204 1 A 204 PRO 2 71.035 205 1 A 205 SER 2 58.455 206 1 A 206 MET 2 55.928 207 1 A 207 ARG 2 49.120 208 1 A 208 PRO 2 48.996 209 1 A 209 LEU 2 46.775 210 1 A 210 PHE 2 45.651 211 1 A 211 ASP 2 46.540 212 1 A 212 PHE 2 48.306 213 1 A 213 SER 2 50.086 214 1 A 214 TRP 2 45.373 215 1 A 215 LEU 2 52.998 216 1 A 216 SER 2 55.525 217 1 A 217 LEU 2 64.093 218 1 A 218 LYS 2 63.152 219 1 A 219 THR 2 67.325 220 1 A 220 LEU 2 70.790 221 1 A 221 LEU 2 73.891 222 1 A 222 SER 2 76.732 223 1 A 223 LEU 2 80.338 224 1 A 224 ALA 2 79.913 225 1 A 225 LEU 2 86.610 226 1 A 226 VAL 2 85.130 227 1 A 227 GLY 2 84.329 228 1 A 228 ALA 2 85.233 229 1 A 229 CYS 2 84.251 230 1 A 230 ILE 2 85.872 231 1 A 231 THR 2 84.602 232 1 A 232 LEU 2 83.535 233 1 A 233 GLY 2 82.142 234 1 A 234 ALA 2 84.634 235 1 A 235 TYR 2 83.194 236 1 A 236 LEU 2 82.288 237 1 A 237 GLY 2 78.213 238 1 A 238 HIS 2 70.982 239 1 A 239 LYS 2 62.075 240 1 B 1 MET 2 40.320 241 1 B 2 PHE 2 40.034 242 1 B 3 GLN 2 44.682 243 1 B 4 ILE 2 55.315 244 1 B 5 PRO 2 45.058 245 1 B 6 GLU 2 45.766 246 1 B 7 PHE 2 53.581 247 1 B 8 GLU 2 47.958 248 1 B 9 PRO 2 46.444 249 1 B 10 SER 2 42.899 250 1 B 11 GLU 2 38.193 251 1 B 12 GLN 2 46.218 252 1 B 13 GLU 2 34.068 253 1 B 14 ASP 2 37.307 254 1 B 15 SER 2 39.347 255 1 B 16 SER 2 37.546 256 1 B 17 SER 2 38.345 257 1 B 18 ALA 2 33.506 258 1 B 19 GLU 2 33.474 259 1 B 20 ARG 2 40.863 260 1 B 21 GLY 2 33.250 261 1 B 22 LEU 2 33.657 262 1 B 23 GLY 2 29.315 263 1 B 24 PRO 2 48.551 264 1 B 25 SER 2 33.445 265 1 B 26 PRO 2 47.227 266 1 B 27 ALA 2 35.411 267 1 B 28 GLY 2 42.854 268 1 B 29 ASP 2 37.285 269 1 B 30 GLY 2 37.651 270 1 B 31 PRO 2 40.147 271 1 B 32 SER 2 42.860 272 1 B 33 GLY 2 32.860 273 1 B 34 SER 2 34.926 274 1 B 35 GLY 2 37.430 275 1 B 36 LYS 2 37.578 276 1 B 37 HIS 2 30.870 277 1 B 38 HIS 2 37.961 278 1 B 39 ARG 2 33.097 279 1 B 40 GLN 2 39.014 280 1 B 41 ALA 2 31.212 281 1 B 42 PRO 2 45.873 282 1 B 43 GLY 2 42.560 283 1 B 44 LEU 2 34.146 284 1 B 45 LEU 2 30.766 285 1 B 46 TRP 2 29.438 286 1 B 47 ASP 2 33.175 287 1 B 48 ALA 2 31.395 288 1 B 49 SER 2 29.220 289 1 B 50 HIS 2 41.710 290 1 B 51 GLN 2 32.949 291 1 B 52 GLN 2 30.652 292 1 B 53 GLU 2 32.693 293 1 B 54 GLN 2 35.507 294 1 B 55 PRO 2 42.202 295 1 B 56 THR 2 40.341 296 1 B 57 SER 2 29.940 297 1 B 58 SER 2 39.060 298 1 B 59 SER 2 37.800 299 1 B 60 HIS 2 35.776 300 1 B 61 HIS 2 28.636 301 1 B 62 GLY 2 33.189 302 1 B 63 GLY 2 37.749 303 1 B 64 ALA 2 35.321 304 1 B 65 GLY 2 39.863 305 1 B 66 ALA 2 37.616 306 1 B 67 VAL 2 35.340 307 1 B 68 GLU 2 38.277 308 1 B 69 ILE 2 33.916 309 1 B 70 ARG 2 42.672 310 1 B 71 SER 2 38.515 311 1 B 72 ARG 2 43.347 312 1 B 73 HIS 2 43.904 313 1 B 74 SER 2 40.208 314 1 B 75 SER 2 43.595 315 1 B 76 TYR 2 28.816 316 1 B 77 PRO 2 41.934 317 1 B 78 ALA 2 40.864 318 1 B 79 GLY 2 36.015 319 1 B 80 THR 2 41.286 320 1 B 81 GLU 2 33.852 321 1 B 82 ASP 2 39.074 322 1 B 83 ASP 2 42.582 323 1 B 84 GLU 2 38.241 324 1 B 85 GLY 2 38.976 325 1 B 86 MET 2 35.578 326 1 B 87 GLY 2 36.849 327 1 B 88 GLU 2 40.114 328 1 B 89 GLU 2 39.989 329 1 B 90 PRO 2 44.623 330 1 B 91 SER 2 57.244 331 1 B 92 PRO 2 50.108 332 1 B 93 PHE 2 47.030 333 1 B 94 ARG 2 51.533 334 1 B 95 GLY 2 48.526 335 1 B 96 ARG 2 47.846 336 1 B 97 SER 2 50.124 337 1 B 98 ARG 2 51.836 338 1 B 99 SER 2 56.812 339 1 B 100 ALA 2 53.514 340 1 B 101 PRO 2 55.487 341 1 B 102 PRO 2 65.299 342 1 B 103 ASN 2 66.300 343 1 B 104 LEU 2 69.844 344 1 B 105 TRP 2 83.420 345 1 B 106 ALA 2 88.146 346 1 B 107 ALA 2 89.585 347 1 B 108 GLN 2 92.047 348 1 B 109 ARG 2 92.174 349 1 B 110 TYR 2 93.635 350 1 B 111 GLY 2 94.756 351 1 B 112 ARG 2 95.014 352 1 B 113 GLU 2 95.098 353 1 B 114 LEU 2 96.062 354 1 B 115 ARG 2 95.345 355 1 B 116 ARG 2 95.995 356 1 B 117 MET 2 95.551 357 1 B 118 SER 2 95.602 358 1 B 119 ASP 2 94.699 359 1 B 120 GLU 2 93.381 360 1 B 121 PHE 2 91.002 361 1 B 122 VAL 2 88.826 362 1 B 123 ASP 2 88.044 363 1 B 124 SER 2 83.474 364 1 B 125 PHE 2 79.157 365 1 B 126 LYS 2 76.462 366 1 B 127 LYS 2 71.277 367 1 B 128 GLY 2 61.984 368 1 B 129 LEU 2 54.345 369 1 B 130 PRO 2 50.585 370 1 B 131 ARG 2 48.827 371 1 B 132 PRO 2 45.789 372 1 B 133 LYS 2 41.773 373 1 B 134 SER 2 43.844 374 1 B 135 ALA 2 41.297 375 1 B 136 GLY 2 41.113 376 1 B 137 THR 2 38.519 377 1 B 138 ALA 2 42.776 378 1 B 139 THR 2 43.264 379 1 B 140 GLN 2 45.646 380 1 B 141 MET 2 37.174 381 1 B 142 ARG 2 40.419 382 1 B 143 GLN 2 44.433 383 1 B 144 SER 2 41.292 384 1 B 145 SER 2 48.609 385 1 B 146 SER 2 52.549 386 1 B 147 TRP 2 58.850 387 1 B 148 THR 2 55.775 388 1 B 149 ARG 2 61.665 389 1 B 150 VAL 2 59.254 390 1 B 151 PHE 2 57.847 391 1 B 152 GLN 2 64.990 392 1 B 153 SER 2 60.627 393 1 B 154 TRP 2 61.699 394 1 B 155 TRP 2 61.066 395 1 B 156 ASP 2 62.178 396 1 B 157 ARG 2 60.071 397 1 B 158 ASN 2 54.125 398 1 B 159 LEU 2 51.892 399 1 B 160 GLY 2 44.217 400 1 B 161 ARG 2 42.811 401 1 B 162 GLY 2 42.204 402 1 B 163 SER 2 37.397 403 1 B 164 SER 2 37.555 404 1 B 165 ALA 2 37.555 405 1 B 166 PRO 2 42.554 406 1 B 167 SER 2 33.613 407 1 B 168 GLN 2 38.461 _database_2.database_id ModelArchive _database_2.database_code ma-t3vr3-305 _database_2.pdbx_DOI 10.5452/ma-t3vr3-305 _pdbx_database_status.entry_id ma-t3vr3-305 _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'