data_ma-asfv-asfvg-008 _entry.id ma-asfv-asfvg-008 _entry.ma_collection_id ma-asfv-asfvg _struct.entry_id ma-asfv-asfvg-008 _struct.pdbx_model_details 'Model generated using AlphaFold (v2.2.0) producing 5 models with 3 recycles each, with AMBER relaxation, using templates, ranked by pLDDT, starting from an MSA with full_dbs setting.' _struct.pdbx_structure_determination_methodology computational _struct.title 'AlphaFold model for ASFV-G A238L' _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/557bda7/base/mmcif_ma-core.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.1 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 1 '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 1 'Jumper, J.' 1 1 'Evans, R.' 2 1 'Pritzel, A.' 3 1 'Green, T.' 4 1 'Figurnov, M.' 5 1 'Ronneberger, O.' 6 1 'Tunyasuvunakool, K.' 7 1 'Bates, R.' 8 1 'Zidek, A.' 9 1 'Potapenko, A.' 10 1 'Bridgland, A.' 11 1 'Meyer, C.' 12 1 'Kohl, S.A.A.' 13 1 'Ballard, A.J.' 14 1 'Cowie, A.' 15 1 'Romera-Paredes, B.' 16 1 'Nikolov, S.' 17 1 'Jain, R.' 18 1 'Adler, J.' 19 1 'Back, T.' 20 1 'Petersen, S.' 21 1 'Reiman, D.' 22 1 'Clancy, E.' 23 1 'Zielinski, M.' 24 1 'Steinegger, M.' 25 1 'Pacholska, M.' 26 1 'Berghammer, T.' 27 1 'Bodenstein, S.' 28 1 'Silver, D.' 29 1 'Vinyals, O.' 30 1 'Senior, A.W.' 31 1 'Kavukcuoglu, K.' 32 1 'Kohli, P.' 33 1 'Hassabis, D.' 34 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' 2.2.0 package https://github.com/deepmind/alphafold 1 loop_ _ma_software_parameter.parameter_id _ma_software_parameter.group_id _ma_software_parameter.data_type _ma_software_parameter.name _ma_software_parameter.value _ma_software_parameter.description 1 1 string model_preset monomer . 2 1 string db_preset full_dbs . 3 1 boolean use_gpu_relax YES . 4 1 string max_template_date 2020-05-14 . 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 1 loop_ _audit_author.name _audit_author.pdbx_ordinal 'Spinard, Edward' 1 'Azzinaro, Paul' 2 'Rai, Ayushi' 3 'Espinoza, Nallely' 4 'Ramirez-Medina, Elizabeth' 5 'Valladares, Alyssa' 6 'Borca, Manuel' 7 'Gladue, Douglas' 8 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 'ASFV-G A238L protein' 30746.719 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 10497 'African swine fever virus (ASFV)' . . 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 . A0A385KM06_ASF A0A385KM06 . 1 229 10497 'African swine fever virus (ASFV)' 2018-12-05 5EA32D3BC87B33FF 1 NCBI . CAD2068401.1 1886136926 . 1 229 10497 'African swine fever virus (ASFV)' 2020-08-05 . 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 ;MEHMFPEREIENLFVKWIKKHIRNGNLTLFEEFFKTDPWIVNRCDKNGSSVFMWICIYGRIDFLKFLFEQ ESYPGEIINPHRRDKDGNSALHYLAEKKNHLILEGVLGYFGKNGTRICLPNFNGMTPVMKAAIRGRSLNM LSLIKFGADPTQKDYHRGFTAWDWAVFTGNMELVKSLNHDYQNLSTCISLFTSWMFSTGGLRKSPKLLLL AVNIMSMKNFLNRIQSSCV ; ;MEHMFPEREIENLFVKWIKKHIRNGNLTLFEEFFKTDPWIVNRCDKNGSSVFMWICIYGRIDFLKFLFEQ ESYPGEIINPHRRDKDGNSALHYLAEKKNHLILEGVLGYFGKNGTRICLPNFNGMTPVMKAAIRGRSLNM LSLIKFGADPTQKDYHRGFTAWDWAVFTGNMELVKSLNHDYQNLSTCISLFTSWMFSTGGLRKSPKLLLL AVNIMSMKNFLNRIQSSCV ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET . 1 2 GLU . 1 3 HIS . 1 4 MET . 1 5 PHE . 1 6 PRO . 1 7 GLU . 1 8 ARG . 1 9 GLU . 1 10 ILE . 1 11 GLU . 1 12 ASN . 1 13 LEU . 1 14 PHE . 1 15 VAL . 1 16 LYS . 1 17 TRP . 1 18 ILE . 1 19 LYS . 1 20 LYS . 1 21 HIS . 1 22 ILE . 1 23 ARG . 1 24 ASN . 1 25 GLY . 1 26 ASN . 1 27 LEU . 1 28 THR . 1 29 LEU . 1 30 PHE . 1 31 GLU . 1 32 GLU . 1 33 PHE . 1 34 PHE . 1 35 LYS . 1 36 THR . 1 37 ASP . 1 38 PRO . 1 39 TRP . 1 40 ILE . 1 41 VAL . 1 42 ASN . 1 43 ARG . 1 44 CYS . 1 45 ASP . 1 46 LYS . 1 47 ASN . 1 48 GLY . 1 49 SER . 1 50 SER . 1 51 VAL . 1 52 PHE . 1 53 MET . 1 54 TRP . 1 55 ILE . 1 56 CYS . 1 57 ILE . 1 58 TYR . 1 59 GLY . 1 60 ARG . 1 61 ILE . 1 62 ASP . 1 63 PHE . 1 64 LEU . 1 65 LYS . 1 66 PHE . 1 67 LEU . 1 68 PHE . 1 69 GLU . 1 70 GLN . 1 71 GLU . 1 72 SER . 1 73 TYR . 1 74 PRO . 1 75 GLY . 1 76 GLU . 1 77 ILE . 1 78 ILE . 1 79 ASN . 1 80 PRO . 1 81 HIS . 1 82 ARG . 1 83 ARG . 1 84 ASP . 1 85 LYS . 1 86 ASP . 1 87 GLY . 1 88 ASN . 1 89 SER . 1 90 ALA . 1 91 LEU . 1 92 HIS . 1 93 TYR . 1 94 LEU . 1 95 ALA . 1 96 GLU . 1 97 LYS . 1 98 LYS . 1 99 ASN . 1 100 HIS . 1 101 LEU . 1 102 ILE . 1 103 LEU . 1 104 GLU . 1 105 GLY . 1 106 VAL . 1 107 LEU . 1 108 GLY . 1 109 TYR . 1 110 PHE . 1 111 GLY . 1 112 LYS . 1 113 ASN . 1 114 GLY . 1 115 THR . 1 116 ARG . 1 117 ILE . 1 118 CYS . 1 119 LEU . 1 120 PRO . 1 121 ASN . 1 122 PHE . 1 123 ASN . 1 124 GLY . 1 125 MET . 1 126 THR . 1 127 PRO . 1 128 VAL . 1 129 MET . 1 130 LYS . 1 131 ALA . 1 132 ALA . 1 133 ILE . 1 134 ARG . 1 135 GLY . 1 136 ARG . 1 137 SER . 1 138 LEU . 1 139 ASN . 1 140 MET . 1 141 LEU . 1 142 SER . 1 143 LEU . 1 144 ILE . 1 145 LYS . 1 146 PHE . 1 147 GLY . 1 148 ALA . 1 149 ASP . 1 150 PRO . 1 151 THR . 1 152 GLN . 1 153 LYS . 1 154 ASP . 1 155 TYR . 1 156 HIS . 1 157 ARG . 1 158 GLY . 1 159 PHE . 1 160 THR . 1 161 ALA . 1 162 TRP . 1 163 ASP . 1 164 TRP . 1 165 ALA . 1 166 VAL . 1 167 PHE . 1 168 THR . 1 169 GLY . 1 170 ASN . 1 171 MET . 1 172 GLU . 1 173 LEU . 1 174 VAL . 1 175 LYS . 1 176 SER . 1 177 LEU . 1 178 ASN . 1 179 HIS . 1 180 ASP . 1 181 TYR . 1 182 GLN . 1 183 ASN . 1 184 LEU . 1 185 SER . 1 186 THR . 1 187 CYS . 1 188 ILE . 1 189 SER . 1 190 LEU . 1 191 PHE . 1 192 THR . 1 193 SER . 1 194 TRP . 1 195 MET . 1 196 PHE . 1 197 SER . 1 198 THR . 1 199 GLY . 1 200 GLY . 1 201 LEU . 1 202 ARG . 1 203 LYS . 1 204 SER . 1 205 PRO . 1 206 LYS . 1 207 LEU . 1 208 LEU . 1 209 LEU . 1 210 LEU . 1 211 ALA . 1 212 VAL . 1 213 ASN . 1 214 ILE . 1 215 MET . 1 216 SER . 1 217 MET . 1 218 LYS . 1 219 ASN . 1 220 PHE . 1 221 LEU . 1 222 ASN . 1 223 ARG . 1 224 ILE . 1 225 GLN . 1 226 SER . 1 227 SER . 1 228 CYS . 1 229 VAL . loop_ _struct_asym.id _struct_asym.entity_id _struct_asym.details A 1 . loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code A 1 1 MET 1 1 MET MET A . A 1 2 GLU 2 2 GLU GLU A . A 1 3 HIS 3 3 HIS HIS A . A 1 4 MET 4 4 MET MET A . A 1 5 PHE 5 5 PHE PHE A . A 1 6 PRO 6 6 PRO PRO A . A 1 7 GLU 7 7 GLU GLU A . A 1 8 ARG 8 8 ARG ARG A . A 1 9 GLU 9 9 GLU GLU A . A 1 10 ILE 10 10 ILE ILE A . A 1 11 GLU 11 11 GLU GLU A . A 1 12 ASN 12 12 ASN ASN A . A 1 13 LEU 13 13 LEU LEU A . A 1 14 PHE 14 14 PHE PHE A . A 1 15 VAL 15 15 VAL VAL A . A 1 16 LYS 16 16 LYS LYS A . A 1 17 TRP 17 17 TRP TRP A . A 1 18 ILE 18 18 ILE ILE A . A 1 19 LYS 19 19 LYS LYS A . A 1 20 LYS 20 20 LYS LYS A . A 1 21 HIS 21 21 HIS HIS A . A 1 22 ILE 22 22 ILE ILE A . A 1 23 ARG 23 23 ARG ARG A . A 1 24 ASN 24 24 ASN ASN A . A 1 25 GLY 25 25 GLY GLY A . A 1 26 ASN 26 26 ASN ASN A . A 1 27 LEU 27 27 LEU LEU A . A 1 28 THR 28 28 THR THR A . A 1 29 LEU 29 29 LEU LEU A . A 1 30 PHE 30 30 PHE PHE A . A 1 31 GLU 31 31 GLU GLU A . A 1 32 GLU 32 32 GLU GLU A . A 1 33 PHE 33 33 PHE PHE A . A 1 34 PHE 34 34 PHE PHE A . A 1 35 LYS 35 35 LYS LYS A . A 1 36 THR 36 36 THR THR A . A 1 37 ASP 37 37 ASP ASP A . A 1 38 PRO 38 38 PRO PRO A . A 1 39 TRP 39 39 TRP TRP A . A 1 40 ILE 40 40 ILE ILE A . A 1 41 VAL 41 41 VAL VAL A . A 1 42 ASN 42 42 ASN ASN A . A 1 43 ARG 43 43 ARG ARG A . A 1 44 CYS 44 44 CYS CYS A . A 1 45 ASP 45 45 ASP ASP A . A 1 46 LYS 46 46 LYS LYS A . A 1 47 ASN 47 47 ASN ASN A . A 1 48 GLY 48 48 GLY GLY A . A 1 49 SER 49 49 SER SER A . A 1 50 SER 50 50 SER SER A . A 1 51 VAL 51 51 VAL VAL A . A 1 52 PHE 52 52 PHE PHE A . A 1 53 MET 53 53 MET MET A . A 1 54 TRP 54 54 TRP TRP A . A 1 55 ILE 55 55 ILE ILE A . A 1 56 CYS 56 56 CYS CYS A . A 1 57 ILE 57 57 ILE ILE A . A 1 58 TYR 58 58 TYR TYR A . A 1 59 GLY 59 59 GLY GLY A . A 1 60 ARG 60 60 ARG ARG A . A 1 61 ILE 61 61 ILE ILE A . A 1 62 ASP 62 62 ASP ASP A . A 1 63 PHE 63 63 PHE PHE A . A 1 64 LEU 64 64 LEU LEU A . A 1 65 LYS 65 65 LYS LYS A . A 1 66 PHE 66 66 PHE PHE A . A 1 67 LEU 67 67 LEU LEU A . A 1 68 PHE 68 68 PHE PHE A . A 1 69 GLU 69 69 GLU GLU A . A 1 70 GLN 70 70 GLN GLN A . A 1 71 GLU 71 71 GLU GLU A . A 1 72 SER 72 72 SER SER A . A 1 73 TYR 73 73 TYR TYR A . A 1 74 PRO 74 74 PRO PRO A . A 1 75 GLY 75 75 GLY GLY A . A 1 76 GLU 76 76 GLU GLU A . A 1 77 ILE 77 77 ILE ILE A . A 1 78 ILE 78 78 ILE ILE A . A 1 79 ASN 79 79 ASN ASN A . A 1 80 PRO 80 80 PRO PRO A . A 1 81 HIS 81 81 HIS HIS A . A 1 82 ARG 82 82 ARG ARG A . A 1 83 ARG 83 83 ARG ARG A . A 1 84 ASP 84 84 ASP ASP A . A 1 85 LYS 85 85 LYS LYS A . A 1 86 ASP 86 86 ASP ASP A . A 1 87 GLY 87 87 GLY GLY A . A 1 88 ASN 88 88 ASN ASN A . A 1 89 SER 89 89 SER SER A . A 1 90 ALA 90 90 ALA ALA A . A 1 91 LEU 91 91 LEU LEU A . A 1 92 HIS 92 92 HIS HIS A . A 1 93 TYR 93 93 TYR TYR A . A 1 94 LEU 94 94 LEU LEU A . A 1 95 ALA 95 95 ALA ALA A . A 1 96 GLU 96 96 GLU GLU A . A 1 97 LYS 97 97 LYS LYS A . A 1 98 LYS 98 98 LYS LYS A . A 1 99 ASN 99 99 ASN ASN A . A 1 100 HIS 100 100 HIS HIS A . A 1 101 LEU 101 101 LEU LEU A . A 1 102 ILE 102 102 ILE ILE A . A 1 103 LEU 103 103 LEU LEU A . A 1 104 GLU 104 104 GLU GLU A . A 1 105 GLY 105 105 GLY GLY A . A 1 106 VAL 106 106 VAL VAL A . A 1 107 LEU 107 107 LEU LEU A . A 1 108 GLY 108 108 GLY GLY A . A 1 109 TYR 109 109 TYR TYR A . A 1 110 PHE 110 110 PHE PHE A . A 1 111 GLY 111 111 GLY GLY A . A 1 112 LYS 112 112 LYS LYS A . A 1 113 ASN 113 113 ASN ASN A . A 1 114 GLY 114 114 GLY GLY A . A 1 115 THR 115 115 THR THR A . A 1 116 ARG 116 116 ARG ARG A . A 1 117 ILE 117 117 ILE ILE A . A 1 118 CYS 118 118 CYS CYS A . A 1 119 LEU 119 119 LEU LEU A . A 1 120 PRO 120 120 PRO PRO A . A 1 121 ASN 121 121 ASN ASN A . A 1 122 PHE 122 122 PHE PHE A . A 1 123 ASN 123 123 ASN ASN A . A 1 124 GLY 124 124 GLY GLY A . A 1 125 MET 125 125 MET MET A . A 1 126 THR 126 126 THR THR A . A 1 127 PRO 127 127 PRO PRO A . A 1 128 VAL 128 128 VAL VAL A . A 1 129 MET 129 129 MET MET A . A 1 130 LYS 130 130 LYS LYS A . A 1 131 ALA 131 131 ALA ALA A . A 1 132 ALA 132 132 ALA ALA A . A 1 133 ILE 133 133 ILE ILE A . A 1 134 ARG 134 134 ARG ARG A . A 1 135 GLY 135 135 GLY GLY A . A 1 136 ARG 136 136 ARG ARG A . A 1 137 SER 137 137 SER SER A . A 1 138 LEU 138 138 LEU LEU A . A 1 139 ASN 139 139 ASN ASN A . A 1 140 MET 140 140 MET MET A . A 1 141 LEU 141 141 LEU LEU A . A 1 142 SER 142 142 SER SER A . A 1 143 LEU 143 143 LEU LEU A . A 1 144 ILE 144 144 ILE ILE A . A 1 145 LYS 145 145 LYS LYS A . A 1 146 PHE 146 146 PHE PHE A . A 1 147 GLY 147 147 GLY GLY A . A 1 148 ALA 148 148 ALA ALA A . A 1 149 ASP 149 149 ASP ASP A . A 1 150 PRO 150 150 PRO PRO A . A 1 151 THR 151 151 THR THR A . A 1 152 GLN 152 152 GLN GLN A . A 1 153 LYS 153 153 LYS LYS A . A 1 154 ASP 154 154 ASP ASP A . A 1 155 TYR 155 155 TYR TYR A . A 1 156 HIS 156 156 HIS HIS A . A 1 157 ARG 157 157 ARG ARG A . A 1 158 GLY 158 158 GLY GLY A . A 1 159 PHE 159 159 PHE PHE A . A 1 160 THR 160 160 THR THR A . A 1 161 ALA 161 161 ALA ALA A . A 1 162 TRP 162 162 TRP TRP A . A 1 163 ASP 163 163 ASP ASP A . A 1 164 TRP 164 164 TRP TRP A . A 1 165 ALA 165 165 ALA ALA A . A 1 166 VAL 166 166 VAL VAL A . A 1 167 PHE 167 167 PHE PHE A . A 1 168 THR 168 168 THR THR A . A 1 169 GLY 169 169 GLY GLY A . A 1 170 ASN 170 170 ASN ASN A . A 1 171 MET 171 171 MET MET A . A 1 172 GLU 172 172 GLU GLU A . A 1 173 LEU 173 173 LEU LEU A . A 1 174 VAL 174 174 VAL VAL A . A 1 175 LYS 175 175 LYS LYS A . A 1 176 SER 176 176 SER SER A . A 1 177 LEU 177 177 LEU LEU A . A 1 178 ASN 178 178 ASN ASN A . A 1 179 HIS 179 179 HIS HIS A . A 1 180 ASP 180 180 ASP ASP A . A 1 181 TYR 181 181 TYR TYR A . A 1 182 GLN 182 182 GLN GLN A . A 1 183 ASN 183 183 ASN ASN A . A 1 184 LEU 184 184 LEU LEU A . A 1 185 SER 185 185 SER SER A . A 1 186 THR 186 186 THR THR A . A 1 187 CYS 187 187 CYS CYS A . A 1 188 ILE 188 188 ILE ILE A . A 1 189 SER 189 189 SER SER A . A 1 190 LEU 190 190 LEU LEU A . A 1 191 PHE 191 191 PHE PHE A . A 1 192 THR 192 192 THR THR A . A 1 193 SER 193 193 SER SER A . A 1 194 TRP 194 194 TRP TRP A . A 1 195 MET 195 195 MET MET A . A 1 196 PHE 196 196 PHE PHE A . A 1 197 SER 197 197 SER SER A . A 1 198 THR 198 198 THR THR A . A 1 199 GLY 199 199 GLY GLY A . A 1 200 GLY 200 200 GLY GLY A . A 1 201 LEU 201 201 LEU LEU A . A 1 202 ARG 202 202 ARG ARG A . A 1 203 LYS 203 203 LYS LYS A . A 1 204 SER 204 204 SER SER A . A 1 205 PRO 205 205 PRO PRO A . A 1 206 LYS 206 206 LYS LYS A . A 1 207 LEU 207 207 LEU LEU A . A 1 208 LEU 208 208 LEU LEU A . A 1 209 LEU 209 209 LEU LEU A . A 1 210 LEU 210 210 LEU LEU A . A 1 211 ALA 211 211 ALA ALA A . A 1 212 VAL 212 212 VAL VAL A . A 1 213 ASN 213 213 ASN ASN A . A 1 214 ILE 214 214 ILE ILE A . A 1 215 MET 215 215 MET MET A . A 1 216 SER 216 216 SER SER A . A 1 217 MET 217 217 MET MET A . A 1 218 LYS 218 218 LYS LYS A . A 1 219 ASN 219 219 ASN ASN A . A 1 220 PHE 220 220 PHE PHE A . A 1 221 LEU 221 221 LEU LEU A . A 1 222 ASN 222 222 ASN ASN A . A 1 223 ARG 223 223 ARG ARG A . A 1 224 ILE 224 224 ILE ILE A . A 1 225 GLN 225 225 GLN GLN A . A 1 226 SER 226 226 SER SER A . A 1 227 SER 227 227 SER SER A . A 1 228 CYS 228 228 CYS CYS A . A 1 229 VAL 229 229 VAL VAL A . loop_ _ma_data.id _ma_data.name _ma_data.content_type _ma_data.content_type_other_details 1 'ASFV-G A238L protein' target . 2 'Model 4 (top ranked model)' 'model coordinates' . 3 BFD 'reference database' . 4 MGnify 'reference database' . 5 Uniclust30 'reference database' . 8 UniRef90 'reference database' . 9 PDB70 'reference database' . loop_ _ma_data_group.ordinal_id _ma_data_group.group_id _ma_data_group.data_id 1 1 1 2 1 3 3 1 4 4 1 5 7 1 8 8 1 9 9 2 2 loop_ _ma_data_ref_db.data_id _ma_data_ref_db.name _ma_data_ref_db.location_url _ma_data_ref_db.version _ma_data_ref_db.release_date 3 BFD https://storage.googleapis.com/alphafold-databases/casp14_versions/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt.tar.gz 6a634dc6eb105c2e9b4cba7bbae93412 . 4 MGnify https://storage.googleapis.com/alphafold-databases/casp14_versions/mgy_clusters_2018_12.fa.gz 2018_12 2018-12-06 5 Uniclust30 https://storage.googleapis.com/alphafold-databases/casp14_versions/uniclust30_2018_08_hhsuite.tar.gz 2018_08 . 8 UniRef90 ftp://ftp.uniprot.org/pub/databases/uniprot/uniref/uniref90/uniref90.fasta.gz 2022_01 2022-02-23 9 PDB70 http://wwwuser.gwdg.de/~compbiol/data/hhsuite/databases/hhsuite_dbs/old-releases/pdb70_from_mmcif_200401.tar.gz . 2020-04-01 loop_ _ma_target_entity.entity_id _ma_target_entity.data_id _ma_target_entity.origin 1 1 'reference database' loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.entity_id _ma_target_entity_instance.details A 1 . loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type _ma_protocol_step.step_name _ma_protocol_step.details _ma_protocol_step.software_group_id _ma_protocol_step.input_data_group_id _ma_protocol_step.output_data_group_id 1 1 1 modeling . 'Model generated using AlphaFold (v2.2.0) producing 5 models with 3 recycles each, with AMBER relaxation, using templates, ranked by pLDDT, starting from an MSA with full_dbs setting.' 1 1 2 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 4 (top ranked model)' . 2 'Ab initio model' . loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_seq_id _atom_site.auth_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.label_asym_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.label_entity_id _atom_site.auth_asym_id _atom_site.B_iso_or_equiv _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET 1 1 ? A -30.524 -32.207 2.096 1.000 1 A 37.620 1 ATOM 2 C CA . MET 1 1 ? A -29.258 -31.611 1.627 1.000 1 A 37.620 1 ATOM 3 C C . MET 1 1 ? A -29.391 -30.118 1.811 1.000 1 A 37.620 1 ATOM 4 O O . MET 1 1 ? A -29.883 -29.440 0.920 1.000 1 A 37.620 1 ATOM 5 C CB . MET 1 1 ? A -28.958 -31.967 0.158 1.000 1 A 37.620 1 ATOM 6 C CG . MET 1 1 ? A -28.320 -33.352 0.022 1.000 1 A 37.620 1 ATOM 7 S SD . MET 1 1 ? A -27.920 -33.815 -1.684 1.000 1 A 37.620 1 ATOM 8 C CE . MET 1 1 ? A -29.489 -34.542 -2.229 1.000 1 A 37.620 1 ATOM 9 H H . MET 1 1 ? A -31.285 -31.849 1.537 1.000 1 A 37.620 1 ATOM 10 H H2 . MET 1 1 ? A -30.690 -31.948 3.058 1.000 1 A 37.620 1 ATOM 11 H HA . MET 1 1 ? A -28.425 -31.945 2.245 1.000 1 A 37.620 1 ATOM 12 H HB2 . MET 1 1 ? A -28.250 -31.243 -0.245 1.000 1 A 37.620 1 ATOM 13 H HB3 . MET 1 1 ? A -29.872 -31.919 -0.435 1.000 1 A 37.620 1 ATOM 14 H HG2 . MET 1 1 ? A -28.981 -34.108 0.446 1.000 1 A 37.620 1 ATOM 15 H HG3 . MET 1 1 ? A -27.392 -33.354 0.593 1.000 1 A 37.620 1 ATOM 16 H HE1 . MET 1 1 ? A -30.282 -33.795 -2.176 1.000 1 A 37.620 1 ATOM 17 H HE2 . MET 1 1 ? A -29.388 -34.881 -3.260 1.000 1 A 37.620 1 ATOM 18 H HE3 . MET 1 1 ? A -29.741 -35.394 -1.597 1.000 1 A 37.620 1 ATOM 19 H H3 . MET 1 1 ? A -30.493 -33.213 2.019 1.000 1 A 37.620 1 ATOM 20 N N . GLU 2 2 ? A -29.069 -29.620 3.003 1.000 1 A 44.860 1 ATOM 21 C CA . GLU 2 2 ? A -28.866 -28.183 3.154 1.000 1 A 44.860 1 ATOM 22 C C . GLU 2 2 ? A -27.733 -27.809 2.208 1.000 1 A 44.860 1 ATOM 23 O O . GLU 2 2 ? A -26.654 -28.403 2.249 1.000 1 A 44.860 1 ATOM 24 C CB . GLU 2 2 ? A -28.531 -27.821 4.606 1.000 1 A 44.860 1 ATOM 25 C CG . GLU 2 2 ? A -29.805 -27.818 5.463 1.000 1 A 44.860 1 ATOM 26 C CD . GLU 2 2 ? A -29.535 -27.513 6.941 1.000 1 A 44.860 1 ATOM 27 O OE1 . GLU 2 2 ? A -30.477 -27.015 7.593 1.000 1 A 44.860 1 ATOM 28 O OE2 . GLU 2 2 ? A -28.415 -27.825 7.400 1.000 1 A 44.860 1 ATOM 29 H H . GLU 2 2 ? A -28.650 -30.189 3.725 1.000 1 A 44.860 1 ATOM 30 H HA . GLU 2 2 ? A -29.765 -27.642 2.860 1.000 1 A 44.860 1 ATOM 31 H HB2 . GLU 2 2 ? A -27.805 -28.535 4.994 1.000 1 A 44.860 1 ATOM 32 H HB3 . GLU 2 2 ? A -28.095 -26.822 4.630 1.000 1 A 44.860 1 ATOM 33 H HG2 . GLU 2 2 ? A -30.281 -28.796 5.387 1.000 1 A 44.860 1 ATOM 34 H HG3 . GLU 2 2 ? A -30.495 -27.080 5.053 1.000 1 A 44.860 1 ATOM 35 N N . HIS 3 3 ? A -28.025 -26.901 1.282 1.000 1 A 51.480 1 ATOM 36 C CA . HIS 3 3 ? A -27.027 -26.257 0.452 1.000 1 A 51.480 1 ATOM 37 C C . HIS 3 3 ? A -26.097 -25.490 1.391 1.000 1 A 51.480 1 ATOM 38 O O . HIS 3 3 ? A -26.317 -24.317 1.681 1.000 1 A 51.480 1 ATOM 39 C CB . HIS 3 3 ? A -27.727 -25.341 -0.564 1.000 1 A 51.480 1 ATOM 40 C CG . HIS 3 3 ? A -28.404 -26.087 -1.684 1.000 1 A 51.480 1 ATOM 41 N ND1 . HIS 3 3 ? A -27.797 -26.505 -2.846 1.000 1 A 51.480 1 ATOM 42 C CD2 . HIS 3 3 ? A -29.724 -26.445 -1.769 1.000 1 A 51.480 1 ATOM 43 C CE1 . HIS 3 3 ? A -28.727 -27.097 -3.613 1.000 1 A 51.480 1 ATOM 44 N NE2 . HIS 3 3 ? A -29.917 -27.086 -2.997 1.000 1 A 51.480 1 ATOM 45 H H . HIS 3 3 ? A -28.959 -26.518 1.263 1.000 1 A 51.480 1 ATOM 46 H HA . HIS 3 3 ? A -26.443 -27.007 -0.083 1.000 1 A 51.480 1 ATOM 47 H HB2 . HIS 3 3 ? A -26.981 -24.681 -1.006 1.000 1 A 51.480 1 ATOM 48 H HB3 . HIS 3 3 ? A -28.455 -24.711 -0.053 1.000 1 A 51.480 1 ATOM 49 H HD1 . HIS 3 3 ? A -26.828 -26.364 -3.095 1.000 1 A 51.480 1 ATOM 50 H HD2 . HIS 3 3 ? A -30.484 -26.255 -1.026 1.000 1 A 51.480 1 ATOM 51 H HE1 . HIS 3 3 ? A -28.550 -27.519 -4.591 1.000 1 A 51.480 1 ATOM 52 N N . MET 4 4 ? A -25.095 -26.184 1.926 1.000 1 A 45.470 1 ATOM 53 C CA . MET 4 4 ? A -23.991 -25.587 2.651 1.000 1 A 45.470 1 ATOM 54 C C . MET 4 4 ? A -23.254 -24.728 1.631 1.000 1 A 45.470 1 ATOM 55 O O . MET 4 4 ? A -22.432 -25.219 0.856 1.000 1 A 45.470 1 ATOM 56 C CB . MET 4 4 ? A -23.134 -26.699 3.273 1.000 1 A 45.470 1 ATOM 57 C CG . MET 4 4 ? A -21.995 -26.153 4.140 1.000 1 A 45.470 1 ATOM 58 S SD . MET 4 4 ? A -21.066 -27.432 5.033 1.000 1 A 45.470 1 ATOM 59 C CE . MET 4 4 ? A -20.391 -28.398 3.656 1.000 1 A 45.470 1 ATOM 60 H H . MET 4 4 ? A -25.107 -27.188 1.814 1.000 1 A 45.470 1 ATOM 61 H HA . MET 4 4 ? A -24.377 -24.953 3.449 1.000 1 A 45.470 1 ATOM 62 H HB2 . MET 4 4 ? A -23.772 -27.318 3.903 1.000 1 A 45.470 1 ATOM 63 H HB3 . MET 4 4 ? A -22.724 -27.324 2.480 1.000 1 A 45.470 1 ATOM 64 H HG2 . MET 4 4 ? A -22.416 -25.468 4.877 1.000 1 A 45.470 1 ATOM 65 H HG3 . MET 4 4 ? A -21.303 -25.591 3.513 1.000 1 A 45.470 1 ATOM 66 H HE1 . MET 4 4 ? A -19.854 -27.737 2.976 1.000 1 A 45.470 1 ATOM 67 H HE2 . MET 4 4 ? A -21.198 -28.901 3.123 1.000 1 A 45.470 1 ATOM 68 H HE3 . MET 4 4 ? A -19.703 -29.146 4.050 1.000 1 A 45.470 1 ATOM 69 N N . PHE 5 5 ? A -23.649 -23.456 1.553 1.000 1 A 53.540 1 ATOM 70 C CA . PHE 5 5 ? A -22.948 -22.463 0.761 1.000 1 A 53.540 1 ATOM 71 C C . PHE 5 5 ? A -21.472 -22.548 1.154 1.000 1 A 53.540 1 ATOM 72 O O . PHE 5 5 ? A -21.181 -22.514 2.353 1.000 1 A 53.540 1 ATOM 73 C CB . PHE 5 5 ? A -23.515 -21.065 1.024 1.000 1 A 53.540 1 ATOM 74 C CG . PHE 5 5 ? A -24.825 -20.807 0.311 1.000 1 A 53.540 1 ATOM 75 C CD1 . PHE 5 5 ? A -24.814 -20.337 -1.017 1.000 1 A 53.540 1 ATOM 76 C CD2 . PHE 5 5 ? A -26.051 -21.050 0.957 1.000 1 A 53.540 1 ATOM 77 C CE1 . PHE 5 5 ? A -26.025 -20.102 -1.690 1.000 1 A 53.540 1 ATOM 78 C CE2 . PHE 5 5 ? A -27.262 -20.815 0.282 1.000 1 A 53.540 1 ATOM 79 C CZ . PHE 5 5 ? A -27.250 -20.339 -1.040 1.000 1 A 53.540 1 ATOM 80 H H . PHE 5 5 ? A -24.447 -23.169 2.103 1.000 1 A 53.540 1 ATOM 81 H HA . PHE 5 5 ? A -23.086 -22.699 -0.294 1.000 1 A 53.540 1 ATOM 82 H HB2 . PHE 5 5 ? A -23.643 -20.917 2.096 1.000 1 A 53.540 1 ATOM 83 H HB3 . PHE 5 5 ? A -22.791 -20.327 0.679 1.000 1 A 53.540 1 ATOM 84 H HD1 . PHE 5 5 ? A -23.877 -20.162 -1.523 1.000 1 A 53.540 1 ATOM 85 H HD2 . PHE 5 5 ? A -26.068 -21.430 1.968 1.000 1 A 53.540 1 ATOM 86 H HE1 . PHE 5 5 ? A -26.011 -19.746 -2.710 1.000 1 A 53.540 1 ATOM 87 H HE2 . PHE 5 5 ? A -28.200 -21.013 0.780 1.000 1 A 53.540 1 ATOM 88 H HZ . PHE 5 5 ? A -28.181 -20.166 -1.560 1.000 1 A 53.540 1 ATOM 89 N N . PRO 6 6 ? A -20.543 -22.716 0.197 1.000 1 A 67.850 1 ATOM 90 C CA . PRO 6 6 ? A -19.138 -22.892 0.527 1.000 1 A 67.850 1 ATOM 91 C C . PRO 6 6 ? A -18.701 -21.739 1.434 1.000 1 A 67.850 1 ATOM 92 O O . PRO 6 6 ? A -18.915 -20.583 1.073 1.000 1 A 67.850 1 ATOM 93 C CB . PRO 6 6 ? A -18.394 -22.891 -0.817 1.000 1 A 67.850 1 ATOM 94 C CG . PRO 6 6 ? A -19.466 -23.205 -1.862 1.000 1 A 67.850 1 ATOM 95 C CD . PRO 6 6 ? A -20.763 -22.708 -1.239 1.000 1 A 67.850 1 ATOM 96 H HA . PRO 6 6 ? A -19.006 -23.848 1.033 1.000 1 A 67.850 1 ATOM 97 H HB2 . PRO 6 6 ? A -17.983 -21.903 -1.023 1.000 1 A 67.850 1 ATOM 98 H HB3 . PRO 6 6 ? A -17.599 -23.637 -0.830 1.000 1 A 67.850 1 ATOM 99 H HG2 . PRO 6 6 ? A -19.529 -24.284 -2.004 1.000 1 A 67.850 1 ATOM 100 H HG3 . PRO 6 6 ? A -19.265 -22.706 -2.810 1.000 1 A 67.850 1 ATOM 101 H HD2 . PRO 6 6 ? A -21.577 -23.372 -1.529 1.000 1 A 67.850 1 ATOM 102 H HD3 . PRO 6 6 ? A -20.968 -21.689 -1.567 1.000 1 A 67.850 1 ATOM 103 N N . GLU 7 7 ? A -18.088 -22.012 2.590 1.000 1 A 73.000 1 ATOM 104 C CA . GLU 7 7 ? A -17.681 -20.974 3.563 1.000 1 A 73.000 1 ATOM 105 C C . GLU 7 7 ? A -16.908 -19.822 2.898 1.000 1 A 73.000 1 ATOM 106 O O . GLU 7 7 ? A -17.061 -18.648 3.234 1.000 1 A 73.000 1 ATOM 107 C CB . GLU 7 7 ? A -16.762 -21.600 4.619 1.000 1 A 73.000 1 ATOM 108 C CG . GLU 7 7 ? A -17.478 -22.578 5.562 1.000 1 A 73.000 1 ATOM 109 C CD . GLU 7 7 ? A -16.512 -23.210 6.579 1.000 1 A 73.000 1 ATOM 110 O OE1 . GLU 7 7 ? A -17.018 -23.777 7.568 1.000 1 A 73.000 1 ATOM 111 O OE2 . GLU 7 7 ? A -15.283 -23.139 6.341 1.000 1 A 73.000 1 ATOM 112 H H . GLU 7 7 ? A -18.067 -22.970 2.909 1.000 1 A 73.000 1 ATOM 113 H HA . GLU 7 7 ? A -18.560 -20.557 4.054 1.000 1 A 73.000 1 ATOM 114 H HB2 . GLU 7 7 ? A -15.951 -22.113 4.102 1.000 1 A 73.000 1 ATOM 115 H HB3 . GLU 7 7 ? A -16.334 -20.800 5.223 1.000 1 A 73.000 1 ATOM 116 H HG2 . GLU 7 7 ? A -17.936 -23.369 4.969 1.000 1 A 73.000 1 ATOM 117 H HG3 . GLU 7 7 ? A -18.269 -22.039 6.084 1.000 1 A 73.000 1 ATOM 118 N N . ARG 8 8 ? A -16.132 -20.154 1.863 1.000 1 A 75.110 1 ATOM 119 C CA . ARG 8 8 ? A -15.375 -19.208 1.040 1.000 1 A 75.110 1 ATOM 120 C C . ARG 8 8 ? A -16.247 -18.204 0.279 1.000 1 A 75.110 1 ATOM 121 O O . ARG 8 8 ? A -15.814 -17.079 0.032 1.000 1 A 75.110 1 ATOM 122 C CB . ARG 8 8 ? A -14.520 -20.036 0.078 1.000 1 A 75.110 1 ATOM 123 C CG . ARG 8 8 ? A -13.375 -19.204 -0.500 1.000 1 A 75.110 1 ATOM 124 C CD . ARG 8 8 ? A -12.504 -20.094 -1.386 1.000 1 A 75.110 1 ATOM 125 N NE . ARG 8 8 ? A -11.222 -19.438 -1.690 1.000 1 A 75.110 1 ATOM 126 C CZ . ARG 8 8 ? A -10.231 -19.974 -2.374 1.000 1 A 75.110 1 ATOM 127 N NH1 . ARG 8 8 ? A -10.346 -21.131 -2.966 1.000 1 A 75.110 1 ATOM 128 N NH2 . ARG 8 8 ? A -9.089 -19.353 -2.466 1.000 1 A 75.110 1 ATOM 129 H H . ARG 8 8 ? A -16.084 -21.142 1.658 1.000 1 A 75.110 1 ATOM 130 H HA . ARG 8 8 ? A -14.739 -18.628 1.709 1.000 1 A 75.110 1 ATOM 131 H HB2 . ARG 8 8 ? A -14.088 -20.875 0.624 1.000 1 A 75.110 1 ATOM 132 H HB3 . ARG 8 8 ? A -15.142 -20.430 -0.726 1.000 1 A 75.110 1 ATOM 133 H HG2 . ARG 8 8 ? A -13.764 -18.375 -1.090 1.000 1 A 75.110 1 ATOM 134 H HG3 . ARG 8 8 ? A -12.777 -18.813 0.322 1.000 1 A 75.110 1 ATOM 135 H HD2 . ARG 8 8 ? A -12.306 -21.027 -0.857 1.000 1 A 75.110 1 ATOM 136 H HD3 . ARG 8 8 ? A -13.047 -20.318 -2.303 1.000 1 A 75.110 1 ATOM 137 H HE . ARG 8 8 ? A -11.062 -18.547 -1.241 1.000 1 A 75.110 1 ATOM 138 H HH11 . ARG 8 8 ? A -9.569 -21.566 -3.443 1.000 1 A 75.110 1 ATOM 139 H HH12 . ARG 8 8 ? A -11.206 -21.648 -2.849 1.000 1 A 75.110 1 ATOM 140 H HH21 . ARG 8 8 ? A -8.308 -19.823 -2.901 1.000 1 A 75.110 1 ATOM 141 H HH22 . ARG 8 8 ? A -8.938 -18.513 -1.926 1.000 1 A 75.110 1 ATOM 142 N N . GLU 9 9 ? A -17.440 -18.605 -0.141 1.000 1 A 81.370 1 ATOM 143 C CA . GLU 9 9 ? A -18.393 -17.739 -0.830 1.000 1 A 81.370 1 ATOM 144 C C . GLU 9 9 ? A -19.042 -16.755 0.146 1.000 1 A 81.370 1 ATOM 145 O O . GLU 9 9 ? A -19.101 -15.561 -0.157 1.000 1 A 81.370 1 ATOM 146 C CB . GLU 9 9 ? A -19.420 -18.599 -1.579 1.000 1 A 81.370 1 ATOM 147 C CG . GLU 9 9 ? A -20.262 -17.748 -2.539 1.000 1 A 81.370 1 ATOM 148 C CD . GLU 9 9 ? A -21.032 -18.586 -3.569 1.000 1 A 81.370 1 ATOM 149 O OE1 . GLU 9 9 ? A -21.394 -17.983 -4.605 1.000 1 A 81.370 1 ATOM 150 O OE2 . GLU 9 9 ? A -21.211 -19.803 -3.340 1.000 1 A 81.370 1 ATOM 151 H H . GLU 9 9 ? A -17.781 -19.499 0.184 1.000 1 A 81.370 1 ATOM 152 H HA . GLU 9 9 ? A -17.851 -17.149 -1.569 1.000 1 A 81.370 1 ATOM 153 H HB2 . GLU 9 9 ? A -20.072 -19.111 -0.871 1.000 1 A 81.370 1 ATOM 154 H HB3 . GLU 9 9 ? A -18.873 -19.343 -2.159 1.000 1 A 81.370 1 ATOM 155 H HG2 . GLU 9 9 ? A -19.597 -17.067 -3.070 1.000 1 A 81.370 1 ATOM 156 H HG3 . GLU 9 9 ? A -20.962 -17.146 -1.960 1.000 1 A 81.370 1 ATOM 157 N N . ILE 10 10 ? A -19.412 -17.223 1.345 1.000 1 A 81.830 1 ATOM 158 C CA . ILE 10 10 ? A -19.909 -16.376 2.441 1.000 1 A 81.830 1 ATOM 159 C C . ILE 10 10 ? A -18.849 -15.340 2.828 1.000 1 A 81.830 1 ATOM 160 O O . ILE 10 10 ? A -19.136 -14.143 2.853 1.000 1 A 81.830 1 ATOM 161 C CB . ILE 10 10 ? A -20.326 -17.237 3.659 1.000 1 A 81.830 1 ATOM 162 C CG1 . ILE 10 10 ? A -21.465 -18.208 3.266 1.000 1 A 81.830 1 ATOM 163 C CG2 . ILE 10 10 ? A -20.751 -16.337 4.837 1.000 1 A 81.830 1 ATOM 164 C CD1 . ILE 10 10 ? A -21.872 -19.179 4.381 1.000 1 A 81.830 1 ATOM 165 H H . ILE 10 10 ? A -19.304 -18.211 1.522 1.000 1 A 81.830 1 ATOM 166 H HA . ILE 10 10 ? A -20.786 -15.831 2.092 1.000 1 A 81.830 1 ATOM 167 H HB . ILE 10 10 ? A -19.469 -17.828 3.980 1.000 1 A 81.830 1 ATOM 168 H HG12 . ILE 10 10 ? A -22.341 -17.639 2.957 1.000 1 A 81.830 1 ATOM 169 H HG13 . ILE 10 10 ? A -21.144 -18.818 2.421 1.000 1 A 81.830 1 ATOM 170 H HG21 . ILE 10 10 ? A -19.934 -15.685 5.146 1.000 1 A 81.830 1 ATOM 171 H HG22 . ILE 10 10 ? A -21.008 -16.945 5.705 1.000 1 A 81.830 1 ATOM 172 H HG23 . ILE 10 10 ? A -21.612 -15.730 4.558 1.000 1 A 81.830 1 ATOM 173 H HD11 . ILE 10 10 ? A -22.561 -19.922 3.980 1.000 1 A 81.830 1 ATOM 174 H HD12 . ILE 10 10 ? A -20.992 -19.692 4.768 1.000 1 A 81.830 1 ATOM 175 H HD13 . ILE 10 10 ? A -22.375 -18.649 5.190 1.000 1 A 81.830 1 ATOM 176 N N . GLU 11 11 ? A -17.608 -15.778 3.035 1.000 1 A 80.610 1 ATOM 177 C CA . GLU 11 11 ? A -16.480 -14.903 3.359 1.000 1 A 80.610 1 ATOM 178 C C . GLU 11 11 ? A -16.258 -13.834 2.278 1.000 1 A 80.610 1 ATOM 179 O O . GLU 11 11 ? A -16.111 -12.644 2.561 1.000 1 A 80.610 1 ATOM 180 C CB . GLU 11 11 ? A -15.238 -15.794 3.533 1.000 1 A 80.610 1 ATOM 181 C CG . GLU 11 11 ? A -13.947 -15.033 3.852 1.000 1 A 80.610 1 ATOM 182 C CD . GLU 11 11 ? A -13.986 -14.258 5.171 1.000 1 A 80.610 1 ATOM 183 O OE1 . GLU 11 11 ? A -13.022 -13.503 5.399 1.000 1 A 80.610 1 ATOM 184 O OE2 . GLU 11 11 ? A -14.952 -14.386 5.952 1.000 1 A 80.610 1 ATOM 185 H H . GLU 11 11 ? A -17.454 -16.776 3.066 1.000 1 A 80.610 1 ATOM 186 H HA . GLU 11 11 ? A -16.693 -14.392 4.298 1.000 1 A 80.610 1 ATOM 187 H HB2 . GLU 11 11 ? A -15.425 -16.517 4.326 1.000 1 A 80.610 1 ATOM 188 H HB3 . GLU 11 11 ? A -15.075 -16.351 2.610 1.000 1 A 80.610 1 ATOM 189 H HG2 . GLU 11 11 ? A -13.134 -15.758 3.896 1.000 1 A 80.610 1 ATOM 190 H HG3 . GLU 11 11 ? A -13.722 -14.351 3.032 1.000 1 A 80.610 1 ATOM 191 N N . ASN 12 12 ? A -16.312 -14.225 1.004 1.000 1 A 85.780 1 ATOM 192 C CA . ASN 12 12 ? A -16.164 -13.284 -0.100 1.000 1 A 85.780 1 ATOM 193 C C . ASN 12 12 ? A -17.332 -12.281 -0.185 1.000 1 A 85.780 1 ATOM 194 O O . ASN 12 12 ? A -17.106 -11.105 -0.487 1.000 1 A 85.780 1 ATOM 195 C CB . ASN 12 12 ? A -15.977 -14.097 -1.386 1.000 1 A 85.780 1 ATOM 196 C CG . ASN 12 12 ? A -15.927 -13.220 -2.617 1.000 1 A 85.780 1 ATOM 197 O OD1 . ASN 12 12 ? A -14.971 -12.507 -2.896 1.000 1 A 85.780 1 ATOM 198 N ND2 . ASN 12 12 ? A -16.970 -13.253 -3.416 1.000 1 A 85.780 1 ATOM 199 H H . ASN 12 12 ? A -16.440 -15.208 0.812 1.000 1 A 85.780 1 ATOM 200 H HA . ASN 12 12 ? A -15.261 -12.698 0.071 1.000 1 A 85.780 1 ATOM 201 H HB2 . ASN 12 12 ? A -16.795 -14.812 -1.479 1.000 1 A 85.780 1 ATOM 202 H HB3 . ASN 12 12 ? A -15.046 -14.661 -1.320 1.000 1 A 85.780 1 ATOM 203 H HD21 . ASN 12 12 ? A -16.966 -12.648 -4.225 1.000 1 A 85.780 1 ATOM 204 H HD22 . ASN 12 12 ? A -17.745 -13.850 -3.167 1.000 1 A 85.780 1 ATOM 205 N N . LEU 13 13 ? A -18.572 -12.709 0.076 1.000 1 A 87.720 1 ATOM 206 C CA . LEU 13 13 ? A -19.727 -11.809 0.156 1.000 1 A 87.720 1 ATOM 207 C C . LEU 13 13 ? A -19.581 -10.822 1.318 1.000 1 A 87.720 1 ATOM 208 O O . LEU 13 13 ? A -19.837 -9.629 1.133 1.000 1 A 87.720 1 ATOM 209 C CB . LEU 13 13 ? A -21.028 -12.623 0.291 1.000 1 A 87.720 1 ATOM 210 C CG . LEU 13 13 ? A -21.470 -13.360 -0.985 1.000 1 A 87.720 1 ATOM 211 C CD1 . LEU 13 13 ? A -22.680 -14.238 -0.672 1.000 1 A 87.720 1 ATOM 212 C CD2 . LEU 13 13 ? A -21.857 -12.388 -2.106 1.000 1 A 87.720 1 ATOM 213 H H . LEU 13 13 ? A -18.704 -13.678 0.331 1.000 1 A 87.720 1 ATOM 214 H HA . LEU 13 13 ? A -19.770 -11.207 -0.752 1.000 1 A 87.720 1 ATOM 215 H HB2 . LEU 13 13 ? A -20.902 -13.352 1.092 1.000 1 A 87.720 1 ATOM 216 H HB3 . LEU 13 13 ? A -21.832 -11.951 0.592 1.000 1 A 87.720 1 ATOM 217 H HG . LEU 13 13 ? A -20.662 -13.992 -1.354 1.000 1 A 87.720 1 ATOM 218 H HD11 . LEU 13 13 ? A -22.981 -14.791 -1.561 1.000 1 A 87.720 1 ATOM 219 H HD12 . LEU 13 13 ? A -23.516 -13.635 -0.315 1.000 1 A 87.720 1 ATOM 220 H HD13 . LEU 13 13 ? A -22.411 -14.965 0.095 1.000 1 A 87.720 1 ATOM 221 H HD21 . LEU 13 13 ? A -22.633 -11.710 -1.751 1.000 1 A 87.720 1 ATOM 222 H HD22 . LEU 13 13 ? A -20.981 -11.828 -2.435 1.000 1 A 87.720 1 ATOM 223 H HD23 . LEU 13 13 ? A -22.243 -12.962 -2.949 1.000 1 A 87.720 1 ATOM 224 N N . PHE 14 14 ? A -19.098 -11.290 2.468 1.000 1 A 88.490 1 ATOM 225 C CA . PHE 14 14 ? A -18.839 -10.470 3.645 1.000 1 A 88.490 1 ATOM 226 C C . PHE 14 14 ? A -17.760 -9.413 3.383 1.000 1 A 88.490 1 ATOM 227 O O . PHE 14 14 ? A -18.013 -8.221 3.561 1.000 1 A 88.490 1 ATOM 228 C CB . PHE 14 14 ? A -18.465 -11.390 4.808 1.000 1 A 88.490 1 ATOM 229 C CG . PHE 14 14 ? A -18.189 -10.660 6.103 1.000 1 A 88.490 1 ATOM 230 C CD1 . PHE 14 14 ? A -16.922 -10.751 6.708 1.000 1 A 88.490 1 ATOM 231 C CD2 . PHE 14 14 ? A -19.221 -9.942 6.736 1.000 1 A 88.490 1 ATOM 232 C CE1 . PHE 14 14 ? A -16.711 -10.175 7.972 1.000 1 A 88.490 1 ATOM 233 C CE2 . PHE 14 14 ? A -18.996 -9.332 7.982 1.000 1 A 88.490 1 ATOM 234 C CZ . PHE 14 14 ? A -17.748 -9.470 8.611 1.000 1 A 88.490 1 ATOM 235 H H . PHE 14 14 ? A -18.938 -12.284 2.552 1.000 1 A 88.490 1 ATOM 236 H HA . PHE 14 14 ? A -19.755 -9.942 3.910 1.000 1 A 88.490 1 ATOM 237 H HB2 . PHE 14 14 ? A -19.284 -12.088 4.981 1.000 1 A 88.490 1 ATOM 238 H HB3 . PHE 14 14 ? A -17.590 -11.982 4.540 1.000 1 A 88.490 1 ATOM 239 H HD1 . PHE 14 14 ? A -16.134 -11.326 6.243 1.000 1 A 88.490 1 ATOM 240 H HD2 . PHE 14 14 ? A -20.202 -9.884 6.287 1.000 1 A 88.490 1 ATOM 241 H HE1 . PHE 14 14 ? A -15.762 -10.298 8.474 1.000 1 A 88.490 1 ATOM 242 H HE2 . PHE 14 14 ? A -19.791 -8.798 8.480 1.000 1 A 88.490 1 ATOM 243 H HZ . PHE 14 14 ? A -17.590 -9.047 9.591 1.000 1 A 88.490 1 ATOM 244 N N . VAL 15 15 ? A -16.598 -9.791 2.839 1.000 1 A 88.860 1 ATOM 245 C CA . VAL 15 15 ? A -15.539 -8.819 2.506 1.000 1 A 88.860 1 ATOM 246 C C . VAL 15 15 ? A -16.012 -7.832 1.434 1.000 1 A 88.860 1 ATOM 247 O O . VAL 15 15 ? A -15.729 -6.636 1.523 1.000 1 A 88.860 1 ATOM 248 C CB . VAL 15 15 ? A -14.230 -9.516 2.087 1.000 1 A 88.860 1 ATOM 249 C CG1 . VAL 15 15 ? A -13.150 -8.485 1.722 1.000 1 A 88.860 1 ATOM 250 C CG2 . VAL 15 15 ? A -13.668 -10.356 3.238 1.000 1 A 88.860 1 ATOM 251 H H . VAL 15 15 ? A -16.411 -10.780 2.751 1.000 1 A 88.860 1 ATOM 252 H HA . VAL 15 15 ? A -15.326 -8.237 3.402 1.000 1 A 88.860 1 ATOM 253 H HB . VAL 15 15 ? A -14.415 -10.158 1.227 1.000 1 A 88.860 1 ATOM 254 H HG11 . VAL 15 15 ? A -13.015 -7.783 2.545 1.000 1 A 88.860 1 ATOM 255 H HG12 . VAL 15 15 ? A -12.200 -8.991 1.545 1.000 1 A 88.860 1 ATOM 256 H HG13 . VAL 15 15 ? A -13.425 -7.938 0.820 1.000 1 A 88.860 1 ATOM 257 H HG21 . VAL 15 15 ? A -13.428 -9.720 4.091 1.000 1 A 88.860 1 ATOM 258 H HG22 . VAL 15 15 ? A -12.769 -10.882 2.918 1.000 1 A 88.860 1 ATOM 259 H HG23 . VAL 15 15 ? A -14.386 -11.109 3.565 1.000 1 A 88.860 1 ATOM 260 N N . LYS 16 16 ? A -16.796 -8.279 0.443 1.000 1 A 91.630 1 ATOM 261 C CA . LYS 16 16 ? A -17.405 -7.386 -0.559 1.000 1 A 91.630 1 ATOM 262 C C . LYS 16 16 ? A -18.361 -6.377 0.084 1.000 1 A 91.630 1 ATOM 263 O O . LYS 16 16 ? A -18.398 -5.217 -0.334 1.000 1 A 91.630 1 ATOM 264 C CB . LYS 16 16 ? A -18.115 -8.242 -1.618 1.000 1 A 91.630 1 ATOM 265 C CG . LYS 16 16 ? A -18.681 -7.418 -2.784 1.000 1 A 91.630 1 ATOM 266 C CD . LYS 16 16 ? A -19.414 -8.342 -3.765 1.000 1 A 91.630 1 ATOM 267 C CE . LYS 16 16 ? A -20.010 -7.547 -4.934 1.000 1 A 91.630 1 ATOM 268 N NZ . LYS 16 16 ? A -20.853 -8.415 -5.800 1.000 1 A 91.630 1 ATOM 269 H H . LYS 16 16 ? A -16.999 -9.268 0.414 1.000 1 A 91.630 1 ATOM 270 H HA . LYS 16 16 ? A -16.607 -6.813 -1.032 1.000 1 A 91.630 1 ATOM 271 H HB2 . LYS 16 16 ? A -18.925 -8.797 -1.145 1.000 1 A 91.630 1 ATOM 272 H HB3 . LYS 16 16 ? A -17.400 -8.960 -2.018 1.000 1 A 91.630 1 ATOM 273 H HG2 . LYS 16 16 ? A -17.867 -6.908 -3.298 1.000 1 A 91.630 1 ATOM 274 H HG3 . LYS 16 16 ? A -19.388 -6.678 -2.409 1.000 1 A 91.630 1 ATOM 275 H HD2 . LYS 16 16 ? A -18.719 -9.091 -4.143 1.000 1 A 91.630 1 ATOM 276 H HD3 . LYS 16 16 ? A -20.214 -8.851 -3.227 1.000 1 A 91.630 1 ATOM 277 H HE2 . LYS 16 16 ? A -19.198 -7.104 -5.510 1.000 1 A 91.630 1 ATOM 278 H HE3 . LYS 16 16 ? A -20.616 -6.739 -4.523 1.000 1 A 91.630 1 ATOM 279 H HZ1 . LYS 16 16 ? A -21.260 -7.896 -6.564 1.000 1 A 91.630 1 ATOM 280 H HZ2 . LYS 16 16 ? A -21.612 -8.811 -5.264 1.000 1 A 91.630 1 ATOM 281 H HZ3 . LYS 16 16 ? A -20.323 -9.188 -6.175 1.000 1 A 91.630 1 ATOM 282 N N . TRP 17 17 ? A -19.122 -6.807 1.084 1.000 1 A 91.860 1 ATOM 283 C CA . TRP 17 17 ? A -20.029 -5.958 1.842 1.000 1 A 91.860 1 ATOM 284 C C . TRP 17 17 ? A -19.269 -4.931 2.694 1.000 1 A 91.860 1 ATOM 285 O O . TRP 17 17 ? A -19.521 -3.733 2.562 1.000 1 A 91.860 1 ATOM 286 C CB . TRP 17 17 ? A -20.952 -6.857 2.663 1.000 1 A 91.860 1 ATOM 287 C CG . TRP 17 17 ? A -21.941 -6.118 3.488 1.000 1 A 91.860 1 ATOM 288 C CD1 . TRP 17 17 ? A -23.193 -5.781 3.108 1.000 1 A 91.860 1 ATOM 289 C CD2 . TRP 17 17 ? A -21.794 -5.669 4.864 1.000 1 A 91.860 1 ATOM 290 N NE1 . TRP 17 17 ? A -23.840 -5.159 4.153 1.000 1 A 91.860 1 ATOM 291 C CE2 . TRP 17 17 ? A -23.029 -5.079 5.257 1.000 1 A 91.860 1 ATOM 292 C CE3 . TRP 17 17 ? A -20.770 -5.741 5.829 1.000 1 A 91.860 1 ATOM 293 C CZ2 . TRP 17 17 ? A -23.245 -4.570 6.534 1.000 1 A 91.860 1 ATOM 294 C CZ3 . TRP 17 17 ? A -20.961 -5.205 7.113 1.000 1 A 91.860 1 ATOM 295 C CH2 . TRP 17 17 ? A -22.199 -4.623 7.451 1.000 1 A 91.860 1 ATOM 296 H H . TRP 17 17 ? A -19.053 -7.777 1.357 1.000 1 A 91.860 1 ATOM 297 H HA . TRP 17 17 ? A -20.651 -5.392 1.148 1.000 1 A 91.860 1 ATOM 298 H HB2 . TRP 17 17 ? A -21.492 -7.522 1.989 1.000 1 A 91.860 1 ATOM 299 H HB3 . TRP 17 17 ? A -20.364 -7.483 3.334 1.000 1 A 91.860 1 ATOM 300 H HD1 . TRP 17 17 ? A -23.636 -6.039 2.157 1.000 1 A 91.860 1 ATOM 301 H HE1 . TRP 17 17 ? A -24.833 -4.972 4.165 1.000 1 A 91.860 1 ATOM 302 H HE3 . TRP 17 17 ? A -19.848 -6.251 5.591 1.000 1 A 91.860 1 ATOM 303 H HZ2 . TRP 17 17 ? A -24.205 -4.170 6.826 1.000 1 A 91.860 1 ATOM 304 H HZ3 . TRP 17 17 ? A -20.179 -5.289 7.853 1.000 1 A 91.860 1 ATOM 305 H HH2 . TRP 17 17 ? A -22.414 -4.246 8.440 1.000 1 A 91.860 1 ATOM 306 N N . ILE 18 18 ? A -18.257 -5.357 3.454 1.000 1 A 93.680 1 ATOM 307 C CA . ILE 18 18 ? A -17.381 -4.460 4.231 1.000 1 A 93.680 1 ATOM 308 C C . ILE 18 18 ? A -16.707 -3.436 3.321 1.000 1 A 93.680 1 ATOM 309 O O . ILE 18 18 ? A -16.710 -2.238 3.602 1.000 1 A 93.680 1 ATOM 310 C CB . ILE 18 18 ? A -16.302 -5.274 4.970 1.000 1 A 93.680 1 ATOM 311 C CG1 . ILE 18 18 ? A -16.941 -6.138 6.060 1.000 1 A 93.680 1 ATOM 312 C CG2 . ILE 18 18 ? A -15.226 -4.360 5.582 1.000 1 A 93.680 1 ATOM 313 C CD1 . ILE 18 18 ? A -15.937 -7.151 6.579 1.000 1 A 93.680 1 ATOM 314 H H . ILE 18 18 ? A -18.111 -6.353 3.537 1.000 1 A 93.680 1 ATOM 315 H HA . ILE 18 18 ? A -17.977 -3.920 4.967 1.000 1 A 93.680 1 ATOM 316 H HB . ILE 18 18 ? A -15.815 -5.929 4.247 1.000 1 A 93.680 1 ATOM 317 H HG12 . ILE 18 18 ? A -17.306 -5.518 6.879 1.000 1 A 93.680 1 ATOM 318 H HG13 . ILE 18 18 ? A -17.773 -6.709 5.649 1.000 1 A 93.680 1 ATOM 319 H HG21 . ILE 18 18 ? A -14.490 -4.927 6.152 1.000 1 A 93.680 1 ATOM 320 H HG22 . ILE 18 18 ? A -15.683 -3.621 6.239 1.000 1 A 93.680 1 ATOM 321 H HG23 . ILE 18 18 ? A -14.670 -3.866 4.785 1.000 1 A 93.680 1 ATOM 322 H HD11 . ILE 18 18 ? A -15.142 -6.669 7.147 1.000 1 A 93.680 1 ATOM 323 H HD12 . ILE 18 18 ? A -15.513 -7.730 5.758 1.000 1 A 93.680 1 ATOM 324 H HD13 . ILE 18 18 ? A -16.483 -7.828 7.236 1.000 1 A 93.680 1 ATOM 325 N N . LYS 19 19 ? A -16.171 -3.885 2.183 1.000 1 A 93.990 1 ATOM 326 C CA . LYS 19 19 ? A -15.534 -3.024 1.184 1.000 1 A 93.990 1 ATOM 327 C C . LYS 19 19 ? A -16.459 -1.890 0.734 1.000 1 A 93.990 1 ATOM 328 O O . LYS 19 19 ? A -15.995 -0.764 0.556 1.000 1 A 93.990 1 ATOM 329 C CB . LYS 19 19 ? A -15.102 -3.916 0.017 1.000 1 A 93.990 1 ATOM 330 C CG . LYS 19 19 ? A -14.446 -3.139 -1.123 1.000 1 A 93.990 1 ATOM 331 C CD . LYS 19 19 ? A -14.154 -4.088 -2.279 1.000 1 A 93.990 1 ATOM 332 C CE . LYS 19 19 ? A -13.671 -3.285 -3.482 1.000 1 A 93.990 1 ATOM 333 N NZ . LYS 19 19 ? A -13.133 -4.198 -4.512 1.000 1 A 93.990 1 ATOM 334 H H . LYS 19 19 ? A -16.155 -4.885 2.043 1.000 1 A 93.990 1 ATOM 335 H HA . LYS 19 19 ? A -14.652 -2.563 1.629 1.000 1 A 93.990 1 ATOM 336 H HB2 . LYS 19 19 ? A -14.391 -4.656 0.385 1.000 1 A 93.990 1 ATOM 337 H HB3 . LYS 19 19 ? A -15.976 -4.442 -0.369 1.000 1 A 93.990 1 ATOM 338 H HG2 . LYS 19 19 ? A -15.110 -2.350 -1.477 1.000 1 A 93.990 1 ATOM 339 H HG3 . LYS 19 19 ? A -13.508 -2.715 -0.768 1.000 1 A 93.990 1 ATOM 340 H HD2 . LYS 19 19 ? A -15.056 -4.637 -2.547 1.000 1 A 93.990 1 ATOM 341 H HD3 . LYS 19 19 ? A -13.388 -4.797 -1.963 1.000 1 A 93.990 1 ATOM 342 H HE2 . LYS 19 19 ? A -14.498 -2.690 -3.869 1.000 1 A 93.990 1 ATOM 343 H HE3 . LYS 19 19 ? A -12.890 -2.602 -3.147 1.000 1 A 93.990 1 ATOM 344 H HZ1 . LYS 19 19 ? A -12.328 -4.666 -4.120 1.000 1 A 93.990 1 ATOM 345 H HZ2 . LYS 19 19 ? A -12.804 -3.692 -5.321 1.000 1 A 93.990 1 ATOM 346 H HZ3 . LYS 19 19 ? A -13.798 -4.916 -4.765 1.000 1 A 93.990 1 ATOM 347 N N . LYS 20 20 ? A -17.761 -2.155 0.563 1.000 1 A 94.500 1 ATOM 348 C CA . LYS 20 20 ? A -18.756 -1.122 0.228 1.000 1 A 94.500 1 ATOM 349 C C . LYS 20 20 ? A -18.871 -0.077 1.343 1.000 1 A 94.500 1 ATOM 350 O O . LYS 20 20 ? A -18.918 1.112 1.039 1.000 1 A 94.500 1 ATOM 351 C CB . LYS 20 20 ? A -20.109 -1.790 -0.079 1.000 1 A 94.500 1 ATOM 352 C CG . LYS 20 20 ? A -21.184 -0.795 -0.546 1.000 1 A 94.500 1 ATOM 353 C CD . LYS 20 20 ? A -22.527 -1.508 -0.768 1.000 1 A 94.500 1 ATOM 354 C CE . LYS 20 20 ? A -23.627 -0.494 -1.120 1.000 1 A 94.500 1 ATOM 355 N NZ . LYS 20 20 ? A -24.966 -1.132 -1.236 1.000 1 A 94.500 1 ATOM 356 H H . LYS 20 20 ? A -18.078 -3.089 0.780 1.000 1 A 94.500 1 ATOM 357 H HA . LYS 20 20 ? A -18.417 -0.586 -0.659 1.000 1 A 94.500 1 ATOM 358 H HB2 . LYS 20 20 ? A -20.475 -2.286 0.820 1.000 1 A 94.500 1 ATOM 359 H HB3 . LYS 20 20 ? A -19.964 -2.546 -0.851 1.000 1 A 94.500 1 ATOM 360 H HG2 . LYS 20 20 ? A -21.324 -0.027 0.215 1.000 1 A 94.500 1 ATOM 361 H HG3 . LYS 20 20 ? A -20.863 -0.319 -1.473 1.000 1 A 94.500 1 ATOM 362 H HD2 . LYS 20 20 ? A -22.801 -2.029 0.149 1.000 1 A 94.500 1 ATOM 363 H HD3 . LYS 20 20 ? A -22.422 -2.237 -1.571 1.000 1 A 94.500 1 ATOM 364 H HE2 . LYS 20 20 ? A -23.364 0.004 -2.054 1.000 1 A 94.500 1 ATOM 365 H HE3 . LYS 20 20 ? A -23.652 0.262 -0.334 1.000 1 A 94.500 1 ATOM 366 H HZ1 . LYS 20 20 ? A -25.224 -1.575 -0.365 1.000 1 A 94.500 1 ATOM 367 H HZ2 . LYS 20 20 ? A -24.987 -1.832 -1.964 1.000 1 A 94.500 1 ATOM 368 H HZ3 . LYS 20 20 ? A -25.678 -0.444 -1.437 1.000 1 A 94.500 1 ATOM 369 N N . HIS 21 21 ? A -18.864 -0.490 2.608 1.000 1 A 93.820 1 ATOM 370 C CA . HIS 21 21 ? A -18.944 0.421 3.759 1.000 1 A 93.820 1 ATOM 371 C C . HIS 21 21 ? A -17.686 1.265 3.951 1.000 1 A 93.820 1 ATOM 372 O O . HIS 21 21 ? A -17.794 2.479 4.141 1.000 1 A 93.820 1 ATOM 373 C CB . HIS 21 21 ? A -19.271 -0.381 5.016 1.000 1 A 93.820 1 ATOM 374 C CG . HIS 21 21 ? A -20.694 -0.847 4.986 1.000 1 A 93.820 1 ATOM 375 N ND1 . HIS 21 21 ? A -21.807 -0.001 4.974 1.000 1 A 93.820 1 ATOM 376 C CD2 . HIS 21 21 ? A -21.108 -2.141 5.007 1.000 1 A 93.820 1 ATOM 377 C CE1 . HIS 21 21 ? A -22.871 -0.813 5.054 1.000 1 A 93.820 1 ATOM 378 N NE2 . HIS 21 21 ? A -22.479 -2.096 5.050 1.000 1 A 93.820 1 ATOM 379 H H . HIS 21 21 ? A -18.808 -1.482 2.793 1.000 1 A 93.820 1 ATOM 380 H HA . HIS 21 21 ? A -19.761 1.125 3.603 1.000 1 A 93.820 1 ATOM 381 H HB2 . HIS 21 21 ? A -18.598 -1.233 5.117 1.000 1 A 93.820 1 ATOM 382 H HB3 . HIS 21 21 ? A -19.145 0.254 5.893 1.000 1 A 93.820 1 ATOM 383 H HD2 . HIS 21 21 ? A -20.482 -3.018 5.077 1.000 1 A 93.820 1 ATOM 384 H HE1 . HIS 21 21 ? A -23.892 -0.479 5.164 1.000 1 A 93.820 1 ATOM 385 H HE2 . HIS 21 21 ? A -23.068 -2.890 5.255 1.000 1 A 93.820 1 ATOM 386 N N . ILE 22 22 ? A -16.508 0.660 3.779 1.000 1 A 95.900 1 ATOM 387 C CA . ILE 22 22 ? A -15.222 1.374 3.769 1.000 1 A 95.900 1 ATOM 388 C C . ILE 22 22 ? A -15.195 2.402 2.643 1.000 1 A 95.900 1 ATOM 389 O O . ILE 22 22 ? A -14.730 3.523 2.832 1.000 1 A 95.900 1 ATOM 390 C CB . ILE 22 22 ? A -14.050 0.387 3.598 1.000 1 A 95.900 1 ATOM 391 C CG1 . ILE 22 22 ? A -13.974 -0.555 4.810 1.000 1 A 95.900 1 ATOM 392 C CG2 . ILE 22 22 ? A -12.699 1.119 3.463 1.000 1 A 95.900 1 ATOM 393 C CD1 . ILE 22 22 ? A -13.080 -1.760 4.554 1.000 1 A 95.900 1 ATOM 394 H H . ILE 22 22 ? A -16.504 -0.347 3.697 1.000 1 A 95.900 1 ATOM 395 H HA . ILE 22 22 ? A -15.098 1.906 4.713 1.000 1 A 95.900 1 ATOM 396 H HB . ILE 22 22 ? A -14.220 -0.200 2.696 1.000 1 A 95.900 1 ATOM 397 H HG12 . ILE 22 22 ? A -13.589 -0.013 5.674 1.000 1 A 95.900 1 ATOM 398 H HG13 . ILE 22 22 ? A -14.962 -0.933 5.072 1.000 1 A 95.900 1 ATOM 399 H HG21 . ILE 22 22 ? A -12.461 1.617 4.403 1.000 1 A 95.900 1 ATOM 400 H HG22 . ILE 22 22 ? A -11.905 0.409 3.229 1.000 1 A 95.900 1 ATOM 401 H HG23 . ILE 22 22 ? A -12.712 1.864 2.668 1.000 1 A 95.900 1 ATOM 402 H HD11 . ILE 22 22 ? A -12.056 -1.468 4.320 1.000 1 A 95.900 1 ATOM 403 H HD12 . ILE 22 22 ? A -13.084 -2.343 5.475 1.000 1 A 95.900 1 ATOM 404 H HD13 . ILE 22 22 ? A -13.471 -2.348 3.724 1.000 1 A 95.900 1 ATOM 405 N N . ARG 23 23 ? A -15.713 2.061 1.459 1.000 1 A 95.820 1 ATOM 406 C CA . ARG 23 23 ? A -15.821 3.030 0.364 1.000 1 A 95.820 1 ATOM 407 C C . ARG 23 23 ? A -16.746 4.190 0.730 1.000 1 A 95.820 1 ATOM 408 O O . ARG 23 23 ? A -16.441 5.328 0.398 1.000 1 A 95.820 1 ATOM 409 C CB . ARG 23 23 ? A -16.299 2.323 -0.907 1.000 1 A 95.820 1 ATOM 410 C CG . ARG 23 23 ? A -16.149 3.251 -2.119 1.000 1 A 95.820 1 ATOM 411 C CD . ARG 23 23 ? A -16.588 2.564 -3.412 1.000 1 A 95.820 1 ATOM 412 N NE . ARG 23 23 ? A -18.057 2.523 -3.534 1.000 1 A 95.820 1 ATOM 413 C CZ . ARG 23 23 ? A -18.739 2.326 -4.647 1.000 1 A 95.820 1 ATOM 414 N NH1 . ARG 23 23 ? A -18.154 2.032 -5.778 1.000 1 A 95.820 1 ATOM 415 N NH2 . ARG 23 23 ? A -20.035 2.438 -4.645 1.000 1 A 95.820 1 ATOM 416 H H . ARG 23 23 ? A -16.024 1.110 1.322 1.000 1 A 95.820 1 ATOM 417 H HA . ARG 23 23 ? A -14.836 3.461 0.189 1.000 1 A 95.820 1 ATOM 418 H HB2 . ARG 23 23 ? A -15.696 1.429 -1.069 1.000 1 A 95.820 1 ATOM 419 H HB3 . ARG 23 23 ? A -17.342 2.024 -0.798 1.000 1 A 95.820 1 ATOM 420 H HG2 . ARG 23 23 ? A -16.736 4.160 -1.985 1.000 1 A 95.820 1 ATOM 421 H HG3 . ARG 23 23 ? A -15.101 3.536 -2.213 1.000 1 A 95.820 1 ATOM 422 H HD2 . ARG 23 23 ? A -16.179 1.554 -3.440 1.000 1 A 95.820 1 ATOM 423 H HD3 . ARG 23 23 ? A -16.175 3.137 -4.242 1.000 1 A 95.820 1 ATOM 424 H HE . ARG 23 23 ? A -18.581 2.772 -2.708 1.000 1 A 95.820 1 ATOM 425 H HH11 . ARG 23 23 ? A -17.145 2.030 -5.812 1.000 1 A 95.820 1 ATOM 426 H HH12 . ARG 23 23 ? A -18.696 1.960 -6.628 1.000 1 A 95.820 1 ATOM 427 H HH21 . ARG 23 23 ? A -20.488 2.785 -3.812 1.000 1 A 95.820 1 ATOM 428 H HH22 . ARG 23 23 ? A -20.558 2.390 -5.508 1.000 1 A 95.820 1 ATOM 429 N N . ASN 24 24 ? A -17.865 3.898 1.389 1.000 1 A 95.470 1 ATOM 430 C CA . ASN 24 24 ? A -18.934 4.865 1.612 1.000 1 A 95.470 1 ATOM 431 C C . ASN 24 24 ? A -18.662 5.864 2.727 1.000 1 A 95.470 1 ATOM 432 O O . ASN 24 24 ? A -19.134 6.987 2.636 1.000 1 A 95.470 1 ATOM 433 C CB . ASN 24 24 ? A -20.236 4.116 1.913 1.000 1 A 95.470 1 ATOM 434 C CG . ASN 24 24 ? A -20.898 3.535 0.682 1.000 1 A 95.470 1 ATOM 435 O OD1 . ASN 24 24 ? A -20.462 3.645 -0.458 1.000 1 A 95.470 1 ATOM 436 N ND2 . ASN 24 24 ? A -22.034 2.910 0.881 1.000 1 A 95.470 1 ATOM 437 H H . ASN 24 24 ? A -18.045 2.928 1.605 1.000 1 A 95.470 1 ATOM 438 H HA . ASN 24 24 ? A -19.075 5.460 0.709 1.000 1 A 95.470 1 ATOM 439 H HB2 . ASN 24 24 ? A -20.945 4.815 2.355 1.000 1 A 95.470 1 ATOM 440 H HB3 . ASN 24 24 ? A -20.053 3.323 2.638 1.000 1 A 95.470 1 ATOM 441 H HD21 . ASN 24 24 ? A -22.591 2.733 0.058 1.000 1 A 95.470 1 ATOM 442 H HD22 . ASN 24 24 ? A -22.414 2.884 1.817 1.000 1 A 95.470 1 ATOM 443 N N . GLY 25 25 ? A -17.966 5.492 3.794 1.000 1 A 95.160 1 ATOM 444 C CA . GLY 25 25 ? A -17.890 6.429 4.917 1.000 1 A 95.160 1 ATOM 445 C C . GLY 25 25 ? A -17.834 5.813 6.285 1.000 1 A 95.160 1 ATOM 446 O O . GLY 25 25 ? A -17.418 6.499 7.205 1.000 1 A 95.160 1 ATOM 447 H H . GLY 25 25 ? A -17.639 4.540 3.880 1.000 1 A 95.160 1 ATOM 448 H HA2 . GLY 25 25 ? A -17.129 7.196 4.778 1.000 1 A 95.160 1 ATOM 449 H HA3 . GLY 25 25 ? A -18.824 6.989 4.950 1.000 1 A 95.160 1 ATOM 450 N N . ASN 26 26 ? A -18.318 4.585 6.419 1.000 1 A 95.210 1 ATOM 451 C CA . ASN 26 26 ? A -19.045 4.220 7.622 1.000 1 A 95.210 1 ATOM 452 C C . ASN 26 26 ? A -18.113 3.708 8.725 1.000 1 A 95.210 1 ATOM 453 O O . ASN 26 26 ? A -18.012 2.500 8.937 1.000 1 A 95.210 1 ATOM 454 C CB . ASN 26 26 ? A -20.174 3.256 7.222 1.000 1 A 95.210 1 ATOM 455 C CG . ASN 26 26 ? A -21.212 3.145 8.318 1.000 1 A 95.210 1 ATOM 456 O OD1 . ASN 26 26 ? A -21.067 3.666 9.408 1.000 1 A 95.210 1 ATOM 457 N ND2 . ASN 26 26 ? A -22.309 2.480 8.049 1.000 1 A 95.210 1 ATOM 458 H H . ASN 26 26 ? A -18.498 4.028 5.596 1.000 1 A 95.210 1 ATOM 459 H HA . ASN 26 26 ? A -19.517 5.117 8.022 1.000 1 A 95.210 1 ATOM 460 H HB2 . ASN 26 26 ? A -19.770 2.265 7.016 1.000 1 A 95.210 1 ATOM 461 H HB3 . ASN 26 26 ? A -20.678 3.630 6.331 1.000 1 A 95.210 1 ATOM 462 H HD21 . ASN 26 26 ? A -22.398 1.941 7.200 1.000 1 A 95.210 1 ATOM 463 H HD22 . ASN 26 26 ? A -22.959 2.406 8.818 1.000 1 A 95.210 1 ATOM 464 N N . LEU 27 27 ? A -17.395 4.636 9.364 1.000 1 A 95.930 1 ATOM 465 C CA . LEU 27 27 ? A -16.441 4.331 10.425 1.000 1 A 95.930 1 ATOM 466 C C . LEU 27 27 ? A -17.143 3.709 11.630 1.000 1 A 95.930 1 ATOM 467 O O . LEU 27 27 ? A -16.725 2.648 12.061 1.000 1 A 95.930 1 ATOM 468 C CB . LEU 27 27 ? A -15.651 5.596 10.806 1.000 1 A 95.930 1 ATOM 469 C CG . LEU 27 27 ? A -14.628 5.352 11.935 1.000 1 A 95.930 1 ATOM 470 C CD1 . LEU 27 27 ? A -13.553 4.332 11.548 1.000 1 A 95.930 1 ATOM 471 C CD2 . LEU 27 27 ? A -13.930 6.665 12.275 1.000 1 A 95.930 1 ATOM 472 H H . LEU 27 27 ? A -17.476 5.598 9.065 1.000 1 A 95.930 1 ATOM 473 H HA . LEU 27 27 ? A -15.739 3.587 10.048 1.000 1 A 95.930 1 ATOM 474 H HB2 . LEU 27 27 ? A -15.127 5.973 9.928 1.000 1 A 95.930 1 ATOM 475 H HB3 . LEU 27 27 ? A -16.352 6.361 11.139 1.000 1 A 95.930 1 ATOM 476 H HG . LEU 27 27 ? A -15.155 5.001 12.822 1.000 1 A 95.930 1 ATOM 477 H HD11 . LEU 27 27 ? A -12.844 4.245 12.371 1.000 1 A 95.930 1 ATOM 478 H HD12 . LEU 27 27 ? A -13.030 4.655 10.648 1.000 1 A 95.930 1 ATOM 479 H HD13 . LEU 27 27 ? A -14.001 3.349 11.400 1.000 1 A 95.930 1 ATOM 480 H HD21 . LEU 27 27 ? A -13.360 7.025 11.419 1.000 1 A 95.930 1 ATOM 481 H HD22 . LEU 27 27 ? A -14.670 7.407 12.577 1.000 1 A 95.930 1 ATOM 482 H HD23 . LEU 27 27 ? A -13.263 6.498 13.121 1.000 1 A 95.930 1 ATOM 483 N N . THR 28 28 ? A -18.249 4.288 12.102 1.000 1 A 95.620 1 ATOM 484 C CA . THR 28 28 ? A -19.002 3.778 13.262 1.000 1 A 95.620 1 ATOM 485 C C . THR 28 28 ? A -19.368 2.306 13.104 1.000 1 A 95.620 1 ATOM 486 O O . THR 28 28 ? A -19.082 1.489 13.973 1.000 1 A 95.620 1 ATOM 487 C CB . THR 28 28 ? A -20.288 4.594 13.439 1.000 1 A 95.620 1 ATOM 488 O OG1 . THR 28 28 ? A -19.967 5.967 13.464 1.000 1 A 95.620 1 ATOM 489 C CG2 . THR 28 28 ? A -21.036 4.259 14.726 1.000 1 A 95.620 1 ATOM 490 H H . THR 28 28 ? A -18.531 5.187 11.735 1.000 1 A 95.620 1 ATOM 491 H HA . THR 28 28 ? A -18.390 3.872 14.159 1.000 1 A 95.620 1 ATOM 492 H HB . THR 28 28 ? A -20.949 4.416 12.591 1.000 1 A 95.620 1 ATOM 493 H HG1 . THR 28 28 ? A -19.501 6.121 14.289 1.000 1 A 95.620 1 ATOM 494 H HG21 . THR 28 28 ? A -20.375 4.367 15.586 1.000 1 A 95.620 1 ATOM 495 H HG22 . THR 28 28 ? A -21.892 4.925 14.839 1.000 1 A 95.620 1 ATOM 496 H HG23 . THR 28 28 ? A -21.404 3.233 14.694 1.000 1 A 95.620 1 ATOM 497 N N . LEU 29 29 ? A -19.917 1.937 11.945 1.000 1 A 93.320 1 ATOM 498 C CA . LEU 29 29 ? A -20.251 0.545 11.668 1.000 1 A 93.320 1 ATOM 499 C C . LEU 29 29 ? A -18.996 -0.340 11.593 1.000 1 A 93.320 1 ATOM 500 O O . LEU 29 29 ? A -19.001 -1.476 12.053 1.000 1 A 93.320 1 ATOM 501 C CB . LEU 29 29 ? A -21.051 0.528 10.362 1.000 1 A 93.320 1 ATOM 502 C CG . LEU 29 29 ? A -21.528 -0.862 9.956 1.000 1 A 93.320 1 ATOM 503 C CD1 . LEU 29 29 ? A -22.518 -1.454 10.961 1.000 1 A 93.320 1 ATOM 504 C CD2 . LEU 29 29 ? A -22.194 -0.828 8.579 1.000 1 A 93.320 1 ATOM 505 H H . LEU 29 29 ? A -20.137 2.643 11.257 1.000 1 A 93.320 1 ATOM 506 H HA . LEU 29 29 ? A -20.871 0.171 12.483 1.000 1 A 93.320 1 ATOM 507 H HB2 . LEU 29 29 ? A -21.918 1.179 10.477 1.000 1 A 93.320 1 ATOM 508 H HB3 . LEU 29 29 ? A -20.407 0.912 9.571 1.000 1 A 93.320 1 ATOM 509 H HG . LEU 29 29 ? A -20.634 -1.480 9.871 1.000 1 A 93.320 1 ATOM 510 H HD11 . LEU 29 29 ? A -22.011 -1.671 11.901 1.000 1 A 93.320 1 ATOM 511 H HD12 . LEU 29 29 ? A -22.946 -2.386 10.594 1.000 1 A 93.320 1 ATOM 512 H HD13 . LEU 29 29 ? A -23.322 -0.749 11.172 1.000 1 A 93.320 1 ATOM 513 H HD21 . LEU 29 29 ? A -21.495 -0.417 7.850 1.000 1 A 93.320 1 ATOM 514 H HD22 . LEU 29 29 ? A -22.463 -1.841 8.280 1.000 1 A 93.320 1 ATOM 515 H HD23 . LEU 29 29 ? A -23.095 -0.216 8.626 1.000 1 A 93.320 1 ATOM 516 N N . PHE 30 30 ? A -17.908 0.164 11.009 1.000 1 A 95.200 1 ATOM 517 C CA . PHE 30 30 ? A -16.642 -0.564 10.975 1.000 1 A 95.200 1 ATOM 518 C C . PHE 30 30 ? A -16.064 -0.794 12.379 1.000 1 A 95.200 1 ATOM 519 O O . PHE 30 30 ? A -15.566 -1.884 12.643 1.000 1 A 95.200 1 ATOM 520 C CB . PHE 30 30 ? A -15.660 0.179 10.069 1.000 1 A 95.200 1 ATOM 521 C CG . PHE 30 30 ? A -14.308 -0.492 9.977 1.000 1 A 95.200 1 ATOM 522 C CD1 . PHE 30 30 ? A -13.261 -0.082 10.823 1.000 1 A 95.200 1 ATOM 523 C CD2 . PHE 30 30 ? A -14.111 -1.553 9.075 1.000 1 A 95.200 1 ATOM 524 C CE1 . PHE 30 30 ? A -12.018 -0.732 10.764 1.000 1 A 95.200 1 ATOM 525 C CE2 . PHE 30 30 ? A -12.867 -2.202 9.016 1.000 1 A 95.200 1 ATOM 526 C CZ . PHE 30 30 ? A -11.823 -1.791 9.862 1.000 1 A 95.200 1 ATOM 527 H H . PHE 30 30 ? A -17.916 1.132 10.720 1.000 1 A 95.200 1 ATOM 528 H HA . PHE 30 30 ? A -16.820 -1.552 10.551 1.000 1 A 95.200 1 ATOM 529 H HB2 . PHE 30 30 ? A -16.097 0.244 9.072 1.000 1 A 95.200 1 ATOM 530 H HB3 . PHE 30 30 ? A -15.515 1.196 10.433 1.000 1 A 95.200 1 ATOM 531 H HD1 . PHE 30 30 ? A -13.418 0.712 11.538 1.000 1 A 95.200 1 ATOM 532 H HD2 . PHE 30 30 ? A -14.927 -1.889 8.452 1.000 1 A 95.200 1 ATOM 533 H HE1 . PHE 30 30 ? A -11.227 -0.429 11.434 1.000 1 A 95.200 1 ATOM 534 H HE2 . PHE 30 30 ? A -12.725 -3.038 8.347 1.000 1 A 95.200 1 ATOM 535 H HZ . PHE 30 30 ? A -10.871 -2.300 9.836 1.000 1 A 95.200 1 ATOM 536 N N . GLU 31 31 ? A -16.166 0.182 13.281 1.000 1 A 95.120 1 ATOM 537 C CA . GLU 31 31 ? A -15.744 0.059 14.680 1.000 1 A 95.120 1 ATOM 538 C C . GLU 31 31 ? A -16.541 -1.023 15.417 1.000 1 A 95.120 1 ATOM 539 O O . GLU 31 31 ? A -15.958 -1.812 16.157 1.000 1 A 95.120 1 ATOM 540 C CB . GLU 31 31 ? A -15.928 1.393 15.415 1.000 1 A 95.120 1 ATOM 541 C CG . GLU 31 31 ? A -14.987 2.508 14.938 1.000 1 A 95.120 1 ATOM 542 C CD . GLU 31 31 ? A -15.278 3.860 15.608 1.000 1 A 95.120 1 ATOM 543 O OE1 . GLU 31 31 ? A -14.516 4.811 15.327 1.000 1 A 95.120 1 ATOM 544 O OE2 . GLU 31 31 ? A -16.266 3.955 16.376 1.000 1 A 95.120 1 ATOM 545 H H . GLU 31 31 ? A -16.572 1.062 12.997 1.000 1 A 95.120 1 ATOM 546 H HA . GLU 31 31 ? A -14.690 -0.219 14.720 1.000 1 A 95.120 1 ATOM 547 H HB2 . GLU 31 31 ? A -16.963 1.718 15.302 1.000 1 A 95.120 1 ATOM 548 H HB3 . GLU 31 31 ? A -15.742 1.227 16.477 1.000 1 A 95.120 1 ATOM 549 H HG2 . GLU 31 31 ? A -15.058 2.622 13.856 1.000 1 A 95.120 1 ATOM 550 H HG3 . GLU 31 31 ? A -13.962 2.208 15.155 1.000 1 A 95.120 1 ATOM 551 N N . GLU 32 32 ? A -17.856 -1.108 15.195 1.000 1 A 94.250 1 ATOM 552 C CA . GLU 32 32 ? A -18.703 -2.171 15.757 1.000 1 A 94.250 1 ATOM 553 C C . GLU 32 32 ? A -18.246 -3.564 15.300 1.000 1 A 94.250 1 ATOM 554 O O . GLU 32 32 ? A -18.095 -4.481 16.116 1.000 1 A 94.250 1 ATOM 555 C CB . GLU 32 32 ? A -20.166 -1.950 15.350 1.000 1 A 94.250 1 ATOM 556 C CG . GLU 32 32 ? A -20.804 -0.741 16.050 1.000 1 A 94.250 1 ATOM 557 C CD . GLU 32 32 ? A -22.210 -0.409 15.519 1.000 1 A 94.250 1 ATOM 558 O OE1 . GLU 32 32 ? A -22.771 0.602 15.997 1.000 1 A 94.250 1 ATOM 559 O OE2 . GLU 32 32 ? A -22.717 -1.140 14.635 1.000 1 A 94.250 1 ATOM 560 H H . GLU 32 32 ? A -18.294 -0.398 14.626 1.000 1 A 94.250 1 ATOM 561 H HA . GLU 32 32 ? A -18.637 -2.153 16.845 1.000 1 A 94.250 1 ATOM 562 H HB2 . GLU 32 32 ? A -20.739 -2.839 15.614 1.000 1 A 94.250 1 ATOM 563 H HB3 . GLU 32 32 ? A -20.218 -1.819 14.269 1.000 1 A 94.250 1 ATOM 564 H HG2 . GLU 32 32 ? A -20.163 0.131 15.923 1.000 1 A 94.250 1 ATOM 565 H HG3 . GLU 32 32 ? A -20.860 -0.953 17.117 1.000 1 A 94.250 1 ATOM 566 N N . PHE 33 33 ? A -17.947 -3.719 14.007 1.000 1 A 91.940 1 ATOM 567 C CA . PHE 33 33 ? A -17.401 -4.975 13.495 1.000 1 A 91.940 1 ATOM 568 C C . PHE 33 33 ? A -16.010 -5.276 14.026 1.000 1 A 91.940 1 ATOM 569 O O . PHE 33 33 ? A -15.747 -6.417 14.390 1.000 1 A 91.940 1 ATOM 570 C CB . PHE 33 33 ? A -17.367 -4.980 11.969 1.000 1 A 91.940 1 ATOM 571 C CG . PHE 33 33 ? A -18.736 -5.149 11.376 1.000 1 A 91.940 1 ATOM 572 C CD1 . PHE 33 33 ? A -19.473 -6.316 11.652 1.000 1 A 91.940 1 ATOM 573 C CD2 . PHE 33 33 ? A -19.299 -4.121 10.617 1.000 1 A 91.940 1 ATOM 574 C CE1 . PHE 33 33 ? A -20.805 -6.426 11.227 1.000 1 A 91.940 1 ATOM 575 C CE2 . PHE 33 33 ? A -20.632 -4.229 10.218 1.000 1 A 91.940 1 ATOM 576 C CZ . PHE 33 33 ? A -21.396 -5.364 10.535 1.000 1 A 91.940 1 ATOM 577 H H . PHE 33 33 ? A -18.125 -2.952 13.375 1.000 1 A 91.940 1 ATOM 578 H HA . PHE 33 33 ? A -18.039 -5.790 13.837 1.000 1 A 91.940 1 ATOM 579 H HB2 . PHE 33 33 ? A -16.766 -5.829 11.645 1.000 1 A 91.940 1 ATOM 580 H HB3 . PHE 33 33 ? A -16.896 -4.068 11.603 1.000 1 A 91.940 1 ATOM 581 H HD1 . PHE 33 33 ? A -19.034 -7.110 12.236 1.000 1 A 91.940 1 ATOM 582 H HD2 . PHE 33 33 ? A -18.730 -3.231 10.391 1.000 1 A 91.940 1 ATOM 583 H HE1 . PHE 33 33 ? A -21.384 -7.300 11.485 1.000 1 A 91.940 1 ATOM 584 H HE2 . PHE 33 33 ? A -21.081 -3.415 9.669 1.000 1 A 91.940 1 ATOM 585 H HZ . PHE 33 33 ? A -22.441 -5.425 10.270 1.000 1 A 91.940 1 ATOM 586 N N . PHE 34 34 ? A -15.138 -4.274 14.100 1.000 1 A 93.710 1 ATOM 587 C CA . PHE 34 34 ? A -13.786 -4.451 14.611 1.000 1 A 93.710 1 ATOM 588 C C . PHE 34 34 ? A -13.791 -4.865 16.088 1.000 1 A 93.710 1 ATOM 589 O O . PHE 34 34 ? A -13.020 -5.733 16.477 1.000 1 A 93.710 1 ATOM 590 C CB . PHE 34 34 ? A -12.993 -3.161 14.387 1.000 1 A 93.710 1 ATOM 591 C CG . PHE 34 34 ? A -11.530 -3.327 14.727 1.000 1 A 93.710 1 ATOM 592 C CD1 . PHE 34 34 ? A -11.090 -3.167 16.053 1.000 1 A 93.710 1 ATOM 593 C CD2 . PHE 34 34 ? A -10.618 -3.721 13.731 1.000 1 A 93.710 1 ATOM 594 C CE1 . PHE 34 34 ? A -9.747 -3.406 16.382 1.000 1 A 93.710 1 ATOM 595 C CE2 . PHE 34 34 ? A -9.269 -3.943 14.062 1.000 1 A 93.710 1 ATOM 596 C CZ . PHE 34 34 ? A -8.831 -3.772 15.384 1.000 1 A 93.710 1 ATOM 597 H H . PHE 34 34 ? A -15.418 -3.359 13.778 1.000 1 A 93.710 1 ATOM 598 H HA . PHE 34 34 ? A -13.303 -5.256 14.057 1.000 1 A 93.710 1 ATOM 599 H HB2 . PHE 34 34 ? A -13.077 -2.865 13.341 1.000 1 A 93.710 1 ATOM 600 H HB3 . PHE 34 34 ? A -13.417 -2.361 14.995 1.000 1 A 93.710 1 ATOM 601 H HD1 . PHE 34 34 ? A -11.786 -2.893 16.832 1.000 1 A 93.710 1 ATOM 602 H HD2 . PHE 34 34 ? A -10.961 -3.881 12.719 1.000 1 A 93.710 1 ATOM 603 H HE1 . PHE 34 34 ? A -9.419 -3.311 17.407 1.000 1 A 93.710 1 ATOM 604 H HE2 . PHE 34 34 ? A -8.564 -4.278 13.315 1.000 1 A 93.710 1 ATOM 605 H HZ . PHE 34 34 ? A -7.798 -3.951 15.642 1.000 1 A 93.710 1 ATOM 606 N N . LYS 35 35 ? A -14.692 -4.308 16.907 1.000 1 A 93.380 1 ATOM 607 C CA . LYS 35 35 ? A -14.869 -4.722 18.311 1.000 1 A 93.380 1 ATOM 608 C C . LYS 35 35 ? A -15.317 -6.177 18.442 1.000 1 A 93.380 1 ATOM 609 O O . LYS 35 35 ? A -14.938 -6.842 19.399 1.000 1 A 93.380 1 ATOM 610 C CB . LYS 35 35 ? A -15.902 -3.815 18.994 1.000 1 A 93.380 1 ATOM 611 C CG . LYS 35 35 ? A -15.326 -2.435 19.332 1.000 1 A 93.380 1 ATOM 612 C CD . LYS 35 35 ? A -16.440 -1.512 19.835 1.000 1 A 93.380 1 ATOM 613 C CE . LYS 35 35 ? A -15.867 -0.118 20.102 1.000 1 A 93.380 1 ATOM 614 N NZ . LYS 35 35 ? A -16.936 0.858 20.425 1.000 1 A 93.380 1 ATOM 615 H H . LYS 35 35 ? A -15.277 -3.571 16.540 1.000 1 A 93.380 1 ATOM 616 H HA . LYS 35 35 ? A -13.915 -4.653 18.834 1.000 1 A 93.380 1 ATOM 617 H HB2 . LYS 35 35 ? A -16.226 -4.282 19.924 1.000 1 A 93.380 1 ATOM 618 H HB3 . LYS 35 35 ? A -16.772 -3.709 18.346 1.000 1 A 93.380 1 ATOM 619 H HG2 . LYS 35 35 ? A -14.564 -2.542 20.103 1.000 1 A 93.380 1 ATOM 620 H HG3 . LYS 35 35 ? A -14.864 -1.995 18.448 1.000 1 A 93.380 1 ATOM 621 H HD2 . LYS 35 35 ? A -17.212 -1.445 19.068 1.000 1 A 93.380 1 ATOM 622 H HD3 . LYS 35 35 ? A -16.872 -1.921 20.749 1.000 1 A 93.380 1 ATOM 623 H HE2 . LYS 35 35 ? A -15.142 -0.182 20.913 1.000 1 A 93.380 1 ATOM 624 H HE3 . LYS 35 35 ? A -15.336 0.207 19.207 1.000 1 A 93.380 1 ATOM 625 H HZ1 . LYS 35 35 ? A -17.583 0.921 19.652 1.000 1 A 93.380 1 ATOM 626 H HZ2 . LYS 35 35 ? A -16.539 1.777 20.553 1.000 1 A 93.380 1 ATOM 627 H HZ3 . LYS 35 35 ? A -17.440 0.584 21.257 1.000 1 A 93.380 1 ATOM 628 N N . THR 36 36 ? A -16.130 -6.649 17.498 1.000 1 A 93.710 1 ATOM 629 C CA . THR 36 36 ? A -16.630 -8.031 17.482 1.000 1 A 93.710 1 ATOM 630 C C . THR 36 36 ? A -15.560 -9.008 16.987 1.000 1 A 93.710 1 ATOM 631 O O . THR 36 36 ? A -15.400 -10.087 17.548 1.000 1 A 93.710 1 ATOM 632 C CB . THR 36 36 ? A -17.891 -8.138 16.612 1.000 1 A 93.710 1 ATOM 633 O OG1 . THR 36 36 ? A -18.860 -7.185 17.001 1.000 1 A 93.710 1 ATOM 634 C CG2 . THR 36 36 ? A -18.561 -9.507 16.735 1.000 1 A 93.710 1 ATOM 635 H H . THR 36 36 ? A -16.387 -6.026 16.746 1.000 1 A 93.710 1 ATOM 636 H HA . THR 36 36 ? A -16.895 -8.326 18.498 1.000 1 A 93.710 1 ATOM 637 H HB . THR 36 36 ? A -17.633 -7.962 15.567 1.000 1 A 93.710 1 ATOM 638 H HG1 . THR 36 36 ? A -18.570 -6.310 16.732 1.000 1 A 93.710 1 ATOM 639 H HG21 . THR 36 36 ? A -17.903 -10.284 16.346 1.000 1 A 93.710 1 ATOM 640 H HG22 . THR 36 36 ? A -18.788 -9.713 17.780 1.000 1 A 93.710 1 ATOM 641 H HG23 . THR 36 36 ? A -19.486 -9.511 16.159 1.000 1 A 93.710 1 ATOM 642 N N . ASP 37 37 ? A -14.822 -8.630 15.942 1.000 1 A 92.940 1 ATOM 643 C CA . ASP 37 37 ? A -13.744 -9.418 15.344 1.000 1 A 92.940 1 ATOM 644 C C . ASP 37 37 ? A -12.611 -8.487 14.866 1.000 1 A 92.940 1 ATOM 645 O O . ASP 37 37 ? A -12.665 -7.981 13.741 1.000 1 A 92.940 1 ATOM 646 C CB . ASP 37 37 ? A -14.310 -10.273 14.188 1.000 1 A 92.940 1 ATOM 647 C CG . ASP 37 37 ? A -13.240 -11.103 13.457 1.000 1 A 92.940 1 ATOM 648 O OD1 . ASP 37 37 ? A -12.104 -11.195 13.975 1.000 1 A 92.940 1 ATOM 649 O OD2 . ASP 37 37 ? A -13.542 -11.648 12.359 1.000 1 A 92.940 1 ATOM 650 H H . ASP 37 37 ? A -15.013 -7.732 15.522 1.000 1 A 92.940 1 ATOM 651 H HA . ASP 37 37 ? A -13.337 -10.106 16.085 1.000 1 A 92.940 1 ATOM 652 H HB2 . ASP 37 37 ? A -15.061 -10.954 14.589 1.000 1 A 92.940 1 ATOM 653 H HB3 . ASP 37 37 ? A -14.802 -9.621 13.465 1.000 1 A 92.940 1 ATOM 654 N N . PRO 38 38 ? A -11.548 -8.278 15.667 1.000 1 A 92.870 1 ATOM 655 C CA . PRO 38 38 ? A -10.402 -7.467 15.250 1.000 1 A 92.870 1 ATOM 656 C C . PRO 38 38 ? A -9.671 -8.042 14.028 1.000 1 A 92.870 1 ATOM 657 O O . PRO 38 38 ? A -9.101 -7.297 13.226 1.000 1 A 92.870 1 ATOM 658 C CB . PRO 38 38 ? A -9.483 -7.405 16.474 1.000 1 A 92.870 1 ATOM 659 C CG . PRO 38 38 ? A -10.433 -7.615 17.652 1.000 1 A 92.870 1 ATOM 660 C CD . PRO 38 38 ? A -11.463 -8.591 17.087 1.000 1 A 92.870 1 ATOM 661 H HA . PRO 38 38 ? A -10.752 -6.462 15.016 1.000 1 A 92.870 1 ATOM 662 H HB2 . PRO 38 38 ? A -8.759 -8.220 16.446 1.000 1 A 92.870 1 ATOM 663 H HB3 . PRO 38 38 ? A -8.973 -6.444 16.541 1.000 1 A 92.870 1 ATOM 664 H HG2 . PRO 38 38 ? A -10.918 -6.672 17.905 1.000 1 A 92.870 1 ATOM 665 H HG3 . PRO 38 38 ? A -9.920 -8.027 18.520 1.000 1 A 92.870 1 ATOM 666 H HD2 . PRO 38 38 ? A -12.421 -8.450 17.588 1.000 1 A 92.870 1 ATOM 667 H HD3 . PRO 38 38 ? A -11.115 -9.617 17.212 1.000 1 A 92.870 1 ATOM 668 N N . TRP 39 39 ? A -9.725 -9.365 13.823 1.000 1 A 92.940 1 ATOM 669 C CA . TRP 39 39 ? A -9.059 -10.047 12.709 1.000 1 A 92.940 1 ATOM 670 C C . TRP 39 39 ? A -9.732 -9.790 11.358 1.000 1 A 92.940 1 ATOM 671 O O . TRP 39 39 ? A -9.156 -10.108 10.309 1.000 1 A 92.940 1 ATOM 672 C CB . TRP 39 39 ? A -8.942 -11.548 12.999 1.000 1 A 92.940 1 ATOM 673 C CG . TRP 39 39 ? A -8.075 -11.867 14.171 1.000 1 A 92.940 1 ATOM 674 C CD1 . TRP 39 39 ? A -8.491 -12.043 15.445 1.000 1 A 92.940 1 ATOM 675 C CD2 . TRP 39 39 ? A -6.624 -11.988 14.200 1.000 1 A 92.940 1 ATOM 676 N NE1 . TRP 39 39 ? A -7.395 -12.253 16.262 1.000 1 A 92.940 1 ATOM 677 C CE2 . TRP 39 39 ? A -6.216 -12.214 15.546 1.000 1 A 92.940 1 ATOM 678 C CE3 . TRP 39 39 ? A -5.614 -11.909 13.217 1.000 1 A 92.940 1 ATOM 679 C CZ2 . TRP 39 39 ? A -4.866 -12.327 15.906 1.000 1 A 92.940 1 ATOM 680 C CZ3 . TRP 39 39 ? A -4.255 -12.001 13.570 1.000 1 A 92.940 1 ATOM 681 C CH2 . TRP 39 39 ? A -3.882 -12.202 14.911 1.000 1 A 92.940 1 ATOM 682 H H . TRP 39 39 ? A -10.330 -9.921 14.410 1.000 1 A 92.940 1 ATOM 683 H HA . TRP 39 39 ? A -8.048 -9.647 12.634 1.000 1 A 92.940 1 ATOM 684 H HB2 . TRP 39 39 ? A -9.931 -11.982 13.150 1.000 1 A 92.940 1 ATOM 685 H HB3 . TRP 39 39 ? A -8.510 -12.039 12.127 1.000 1 A 92.940 1 ATOM 686 H HD1 . TRP 39 39 ? A -9.522 -11.995 15.764 1.000 1 A 92.940 1 ATOM 687 H HE1 . TRP 39 39 ? A -7.460 -12.366 17.263 1.000 1 A 92.940 1 ATOM 688 H HE3 . TRP 39 39 ? A -5.898 -11.768 12.185 1.000 1 A 92.940 1 ATOM 689 H HZ2 . TRP 39 39 ? A -4.585 -12.463 16.940 1.000 1 A 92.940 1 ATOM 690 H HZ3 . TRP 39 39 ? A -3.487 -11.890 12.819 1.000 1 A 92.940 1 ATOM 691 H HH2 . TRP 39 39 ? A -2.837 -12.230 15.183 1.000 1 A 92.940 1 ATOM 692 N N . ILE 40 40 ? A -10.895 -9.129 11.354 1.000 1 A 93.020 1 ATOM 693 C CA . ILE 40 40 ? A -11.606 -8.686 10.154 1.000 1 A 93.020 1 ATOM 694 C C . ILE 40 40 ? A -10.709 -7.904 9.190 1.000 1 A 93.020 1 ATOM 695 O O . ILE 40 40 ? A -10.863 -8.025 7.977 1.000 1 A 93.020 1 ATOM 696 C CB . ILE 40 40 ? A -12.834 -7.858 10.579 1.000 1 A 93.020 1 ATOM 697 C CG1 . ILE 40 40 ? A -13.862 -7.777 9.439 1.000 1 A 93.020 1 ATOM 698 C CG2 . ILE 40 40 ? A -12.459 -6.450 11.094 1.000 1 A 93.020 1 ATOM 699 C CD1 . ILE 40 40 ? A -15.161 -7.138 9.939 1.000 1 A 93.020 1 ATOM 700 H H . ILE 40 40 ? A -11.320 -8.937 12.250 1.000 1 A 93.020 1 ATOM 701 H HA . ILE 40 40 ? A -11.958 -9.579 9.638 1.000 1 A 93.020 1 ATOM 702 H HB . ILE 40 40 ? A -13.317 -8.405 11.388 1.000 1 A 93.020 1 ATOM 703 H HG12 . ILE 40 40 ? A -14.087 -8.787 9.095 1.000 1 A 93.020 1 ATOM 704 H HG13 . ILE 40 40 ? A -13.458 -7.199 8.608 1.000 1 A 93.020 1 ATOM 705 H HG21 . ILE 40 40 ? A -12.178 -5.789 10.275 1.000 1 A 93.020 1 ATOM 706 H HG22 . ILE 40 40 ? A -13.303 -6.019 11.631 1.000 1 A 93.020 1 ATOM 707 H HG23 . ILE 40 40 ? A -11.639 -6.517 11.810 1.000 1 A 93.020 1 ATOM 708 H HD11 . ILE 40 40 ? A -15.024 -6.064 10.062 1.000 1 A 93.020 1 ATOM 709 H HD12 . ILE 40 40 ? A -15.446 -7.583 10.892 1.000 1 A 93.020 1 ATOM 710 H HD13 . ILE 40 40 ? A -15.982 -7.303 9.241 1.000 1 A 93.020 1 ATOM 711 N N . VAL 41 41 ? A -9.716 -7.161 9.693 1.000 1 A 94.460 1 ATOM 712 C CA . VAL 41 41 ? A -8.787 -6.367 8.867 1.000 1 A 94.460 1 ATOM 713 C C . VAL 41 41 ? A -7.912 -7.215 7.942 1.000 1 A 94.460 1 ATOM 714 O O . VAL 41 41 ? A -7.444 -6.721 6.910 1.000 1 A 94.460 1 ATOM 715 C CB . VAL 41 41 ? A -7.901 -5.450 9.719 1.000 1 A 94.460 1 ATOM 716 C CG1 . VAL 41 41 ? A -8.774 -4.464 10.484 1.000 1 A 94.460 1 ATOM 717 C CG2 . VAL 41 41 ? A -6.981 -6.198 10.684 1.000 1 A 94.460 1 ATOM 718 H H . VAL 41 41 ? A -9.626 -7.123 10.699 1.000 1 A 94.460 1 ATOM 719 H HA . VAL 41 41 ? A -9.388 -5.714 8.234 1.000 1 A 94.460 1 ATOM 720 H HB . VAL 41 41 ? A -7.273 -4.865 9.046 1.000 1 A 94.460 1 ATOM 721 H HG11 . VAL 41 41 ? A -8.119 -3.771 11.013 1.000 1 A 94.460 1 ATOM 722 H HG12 . VAL 41 41 ? A -9.396 -4.987 11.210 1.000 1 A 94.460 1 ATOM 723 H HG13 . VAL 41 41 ? A -9.402 -3.910 9.786 1.000 1 A 94.460 1 ATOM 724 H HG21 . VAL 41 41 ? A -6.447 -5.486 11.313 1.000 1 A 94.460 1 ATOM 725 H HG22 . VAL 41 41 ? A -6.243 -6.782 10.134 1.000 1 A 94.460 1 ATOM 726 H HG23 . VAL 41 41 ? A -7.553 -6.865 11.329 1.000 1 A 94.460 1 ATOM 727 N N . ASN 42 42 ? A -7.723 -8.495 8.270 1.000 1 A 94.860 1 ATOM 728 C CA . ASN 42 42 ? A -6.921 -9.443 7.497 1.000 1 A 94.860 1 ATOM 729 C C . ASN 42 42 ? A -7.750 -10.346 6.589 1.000 1 A 94.860 1 ATOM 730 O O . ASN 42 42 ? A -7.178 -11.012 5.720 1.000 1 A 94.860 1 ATOM 731 C CB . ASN 42 42 ? A -6.099 -10.296 8.456 1.000 1 A 94.860 1 ATOM 732 C CG . ASN 42 42 ? A -5.170 -9.449 9.280 1.000 1 A 94.860 1 ATOM 733 O OD1 . ASN 42 42 ? A -4.404 -8.645 8.763 1.000 1 A 94.860 1 ATOM 734 N ND2 . ASN 42 42 ? A -5.244 -9.627 10.567 1.000 1 A 94.860 1 ATOM 735 H H . ASN 42 42 ? A -8.160 -8.831 9.117 1.000 1 A 94.860 1 ATOM 736 H HA . ASN 42 42 ? A -6.230 -8.892 6.859 1.000 1 A 94.860 1 ATOM 737 H HB2 . ASN 42 42 ? A -6.770 -10.860 9.104 1.000 1 A 94.860 1 ATOM 738 H HB3 . ASN 42 42 ? A -5.491 -11.007 7.895 1.000 1 A 94.860 1 ATOM 739 H HD21 . ASN 42 42 ? A -4.598 -9.118 11.154 1.000 1 A 94.860 1 ATOM 740 H HD22 . ASN 42 42 ? A -5.926 -10.240 10.990 1.000 1 A 94.860 1 ATOM 741 N N . ARG 43 43 ? A -9.078 -10.362 6.754 1.000 1 A 93.550 1 ATOM 742 C CA . ARG 43 43 ? A -9.986 -11.081 5.858 1.000 1 A 93.550 1 ATOM 743 C C . ARG 43 43 ? A -9.826 -10.571 4.434 1.000 1 A 93.550 1 ATOM 744 O O . ARG 43 43 ? A -9.602 -9.379 4.213 1.000 1 A 93.550 1 ATOM 745 C CB . ARG 43 43 ? A -11.434 -10.947 6.337 1.000 1 A 93.550 1 ATOM 746 C CG . ARG 43 43 ? A -11.688 -11.782 7.602 1.000 1 A 93.550 1 ATOM 747 C CD . ARG 43 43 ? A -13.173 -11.746 7.974 1.000 1 A 93.550 1 ATOM 748 N NE . ARG 43 43 ? A -13.443 -12.412 9.261 1.000 1 A 93.550 1 ATOM 749 C CZ . ARG 43 43 ? A -14.311 -13.375 9.508 1.000 1 A 93.550 1 ATOM 750 N NH1 . ARG 43 43 ? A -14.999 -14.008 8.601 1.000 1 A 93.550 1 ATOM 751 N NH2 . ARG 43 43 ? A -14.514 -13.699 10.747 1.000 1 A 93.550 1 ATOM 752 H H . ARG 43 43 ? A -9.478 -9.780 7.476 1.000 1 A 93.550 1 ATOM 753 H HA . ARG 43 43 ? A -9.726 -12.139 5.864 1.000 1 A 93.550 1 ATOM 754 H HB2 . ARG 43 43 ? A -11.673 -9.900 6.525 1.000 1 A 93.550 1 ATOM 755 H HB3 . ARG 43 43 ? A -12.097 -11.286 5.541 1.000 1 A 93.550 1 ATOM 756 H HG2 . ARG 43 43 ? A -11.393 -12.817 7.429 1.000 1 A 93.550 1 ATOM 757 H HG3 . ARG 43 43 ? A -11.098 -11.384 8.428 1.000 1 A 93.550 1 ATOM 758 H HD2 . ARG 43 43 ? A -13.773 -12.193 7.181 1.000 1 A 93.550 1 ATOM 759 H HD3 . ARG 43 43 ? A -13.478 -10.703 8.059 1.000 1 A 93.550 1 ATOM 760 H HE . ARG 43 43 ? A -13.039 -12.013 10.096 1.000 1 A 93.550 1 ATOM 761 H HH11 . ARG 43 43 ? A -14.802 -13.888 7.618 1.000 1 A 93.550 1 ATOM 762 H HH12 . ARG 43 43 ? A -15.630 -14.755 8.851 1.000 1 A 93.550 1 ATOM 763 H HH21 . ARG 43 43 ? A -14.113 -13.099 11.454 1.000 1 A 93.550 1 ATOM 764 H HH22 . ARG 43 43 ? A -15.181 -14.410 11.014 1.000 1 A 93.550 1 ATOM 765 N N . CYS 44 44 ? A -9.885 -11.487 3.474 1.000 1 A 92.540 1 ATOM 766 C CA . CYS 44 44 ? A -9.513 -11.223 2.088 1.000 1 A 92.540 1 ATOM 767 C C . CYS 44 44 ? A -10.637 -11.578 1.127 1.000 1 A 92.540 1 ATOM 768 O O . CYS 44 44 ? A -11.325 -12.581 1.294 1.000 1 A 92.540 1 ATOM 769 C CB . CYS 44 44 ? A -8.243 -11.998 1.728 1.000 1 A 92.540 1 ATOM 770 S SG . CYS 44 44 ? A -6.823 -11.337 2.638 1.000 1 A 92.540 1 ATOM 771 H H . CYS 44 44 ? A -10.229 -12.405 3.715 1.000 1 A 92.540 1 ATOM 772 H HA . CYS 44 44 ? A -9.312 -10.159 1.962 1.000 1 A 92.540 1 ATOM 773 H HB2 . CYS 44 44 ? A -8.062 -11.900 0.658 1.000 1 A 92.540 1 ATOM 774 H HB3 . CYS 44 44 ? A -8.389 -13.051 1.969 1.000 1 A 92.540 1 ATOM 775 H HG . CYS 44 44 ? A -7.320 -11.424 3.875 1.000 1 A 92.540 1 ATOM 776 N N . ASP 45 45 ? A -10.772 -10.787 0.069 1.000 1 A 91.460 1 ATOM 777 C CA . ASP 45 45 ? A -11.690 -11.116 -1.014 1.000 1 A 91.460 1 ATOM 778 C C . ASP 45 45 ? A -11.105 -12.183 -1.958 1.000 1 A 91.460 1 ATOM 779 O O . ASP 45 45 ? A -9.975 -12.663 -1.808 1.000 1 A 91.460 1 ATOM 780 C CB . ASP 45 45 ? A -12.125 -9.829 -1.736 1.000 1 A 91.460 1 ATOM 781 C CG . ASP 45 45 ? A -11.056 -9.146 -2.593 1.000 1 A 91.460 1 ATOM 782 O OD1 . ASP 45 45 ? A -9.936 -9.686 -2.738 1.000 1 A 91.460 1 ATOM 783 O OD2 . ASP 45 45 ? A -11.406 -8.095 -3.174 1.000 1 A 91.460 1 ATOM 784 H H . ASP 45 45 ? A -10.141 -10.007 -0.045 1.000 1 A 91.460 1 ATOM 785 H HA . ASP 45 45 ? A -12.591 -11.545 -0.575 1.000 1 A 91.460 1 ATOM 786 H HB2 . ASP 45 45 ? A -12.970 -10.070 -2.381 1.000 1 A 91.460 1 ATOM 787 H HB3 . ASP 45 45 ? A -12.486 -9.114 -0.997 1.000 1 A 91.460 1 ATOM 788 N N . LYS 46 46 ? A -11.865 -12.534 -3.001 1.000 1 A 90.460 1 ATOM 789 C CA . LYS 46 46 ? A -11.411 -13.447 -4.059 1.000 1 A 90.460 1 ATOM 790 C C . LYS 46 46 ? A -10.135 -13.009 -4.786 1.000 1 A 90.460 1 ATOM 791 O O . LYS 46 46 ? A -9.539 -13.845 -5.464 1.000 1 A 90.460 1 ATOM 792 C CB . LYS 46 46 ? A -12.547 -13.665 -5.067 1.000 1 A 90.460 1 ATOM 793 C CG . LYS 46 46 ? A -12.881 -12.391 -5.864 1.000 1 A 90.460 1 ATOM 794 C CD . LYS 46 46 ? A -13.947 -12.683 -6.919 1.000 1 A 90.460 1 ATOM 795 C CE . LYS 46 46 ? A -14.170 -11.439 -7.784 1.000 1 A 90.460 1 ATOM 796 N NZ . LYS 46 46 ? A -15.081 -11.740 -8.919 1.000 1 A 90.460 1 ATOM 797 H H . LYS 46 46 ? A -12.821 -12.210 -3.012 1.000 1 A 90.460 1 ATOM 798 H HA . LYS 46 46 ? A -11.180 -14.402 -3.586 1.000 1 A 90.460 1 ATOM 799 H HB2 . LYS 46 46 ? A -12.247 -14.451 -5.760 1.000 1 A 90.460 1 ATOM 800 H HB3 . LYS 46 46 ? A -13.436 -14.009 -4.538 1.000 1 A 90.460 1 ATOM 801 H HG2 . LYS 46 46 ? A -11.988 -12.032 -6.376 1.000 1 A 90.460 1 ATOM 802 H HG3 . LYS 46 46 ? A -13.241 -11.613 -5.191 1.000 1 A 90.460 1 ATOM 803 H HD2 . LYS 46 46 ? A -14.875 -12.970 -6.424 1.000 1 A 90.460 1 ATOM 804 H HD3 . LYS 46 46 ? A -13.606 -13.506 -7.546 1.000 1 A 90.460 1 ATOM 805 H HE2 . LYS 46 46 ? A -13.201 -11.108 -8.160 1.000 1 A 90.460 1 ATOM 806 H HE3 . LYS 46 46 ? A -14.575 -10.645 -7.158 1.000 1 A 90.460 1 ATOM 807 H HZ1 . LYS 46 46 ? A -14.679 -12.462 -9.500 1.000 1 A 90.460 1 ATOM 808 H HZ2 . LYS 46 46 ? A -15.221 -10.927 -9.500 1.000 1 A 90.460 1 ATOM 809 H HZ3 . LYS 46 46 ? A -15.973 -12.080 -8.589 1.000 1 A 90.460 1 ATOM 810 N N . ASN 47 47 ? A -9.730 -11.741 -4.708 1.000 1 A 91.620 1 ATOM 811 C CA . ASN 47 47 ? A -8.488 -11.244 -5.299 1.000 1 A 91.620 1 ATOM 812 C C . ASN 47 47 ? A -7.308 -11.356 -4.323 1.000 1 A 91.620 1 ATOM 813 O O . ASN 47 47 ? A -6.178 -11.070 -4.700 1.000 1 A 91.620 1 ATOM 814 C CB . ASN 47 47 ? A -8.687 -9.811 -5.815 1.000 1 A 91.620 1 ATOM 815 C CG . ASN 47 47 ? A -9.651 -9.706 -6.980 1.000 1 A 91.620 1 ATOM 816 O OD1 . ASN 47 47 ? A -10.101 -10.672 -7.585 1.000 1 A 91.620 1 ATOM 817 N ND2 . ASN 47 47 ? A -9.991 -8.497 -7.354 1.000 1 A 91.620 1 ATOM 818 H H . ASN 47 47 ? A -10.191 -11.122 -4.056 1.000 1 A 91.620 1 ATOM 819 H HA . ASN 47 47 ? A -8.231 -11.859 -6.161 1.000 1 A 91.620 1 ATOM 820 H HB2 . ASN 47 47 ? A -9.029 -9.168 -5.004 1.000 1 A 91.620 1 ATOM 821 H HB3 . ASN 47 47 ? A -7.726 -9.423 -6.151 1.000 1 A 91.620 1 ATOM 822 H HD21 . ASN 47 47 ? A -9.534 -7.724 -6.891 1.000 1 A 91.620 1 ATOM 823 H HD22 . ASN 47 47 ? A -10.455 -8.412 -8.246 1.000 1 A 91.620 1 ATOM 824 N N . GLY 48 48 ? A -7.547 -11.810 -3.090 1.000 1 A 92.620 1 ATOM 825 C CA . GLY 48 48 ? A -6.543 -11.890 -2.036 1.000 1 A 92.620 1 ATOM 826 C C . GLY 48 48 ? A -6.289 -10.555 -1.336 1.000 1 A 92.620 1 ATOM 827 O O . GLY 48 48 ? A -5.422 -10.513 -0.461 1.000 1 A 92.620 1 ATOM 828 H H . GLY 48 48 ? A -8.506 -11.966 -2.816 1.000 1 A 92.620 1 ATOM 829 H HA2 . GLY 48 48 ? A -6.885 -12.605 -1.289 1.000 1 A 92.620 1 ATOM 830 H HA3 . GLY 48 48 ? A -5.599 -12.240 -2.455 1.000 1 A 92.620 1 ATOM 831 N N . SER 49 49 ? A -7.031 -9.498 -1.691 1.000 1 A 94.610 1 ATOM 832 C CA . SER 49 49 ? A -6.901 -8.171 -1.097 1.000 1 A 94.610 1 ATOM 833 C C . SER 49 49 ? A -7.582 -8.142 0.266 1.000 1 A 94.610 1 ATOM 834 O O . SER 49 49 ? A -8.775 -8.447 0.367 1.000 1 A 94.610 1 ATOM 835 C CB . SER 49 49 ? A -7.524 -7.097 -1.997 1.000 1 A 94.610 1 ATOM 836 O OG . SER 49 49 ? A -6.943 -7.086 -3.289 1.000 1 A 94.610 1 ATOM 837 H H . SER 49 49 ? A -7.791 -9.631 -2.343 1.000 1 A 94.610 1 ATOM 838 H HA . SER 49 49 ? A -5.842 -7.947 -0.973 1.000 1 A 94.610 1 ATOM 839 H HB2 . SER 49 49 ? A -7.391 -6.119 -1.534 1.000 1 A 94.610 1 ATOM 840 H HB3 . SER 49 49 ? A -8.591 -7.292 -2.098 1.000 1 A 94.610 1 ATOM 841 H HG . SER 49 49 ? A -5.992 -6.975 -3.224 1.000 1 A 94.610 1 ATOM 842 N N . SER 50 50 ? A -6.836 -7.765 1.305 1.000 1 A 94.690 1 ATOM 843 C CA . SER 50 50 ? A -7.383 -7.692 2.658 1.000 1 A 94.690 1 ATOM 844 C C . SER 50 50 ? A -8.262 -6.462 2.874 1.000 1 A 94.690 1 ATOM 845 O O . SER 50 50 ? A -8.177 -5.470 2.144 1.000 1 A 94.690 1 ATOM 846 C CB . SER 50 50 ? A -6.299 -7.787 3.733 1.000 1 A 94.690 1 ATOM 847 O OG . SER 50 50 ? A -5.445 -6.658 3.726 1.000 1 A 94.690 1 ATOM 848 H H . SER 50 50 ? A -5.872 -7.500 1.163 1.000 1 A 94.690 1 ATOM 849 H HA . SER 50 50 ? A -8.014 -8.572 2.783 1.000 1 A 94.690 1 ATOM 850 H HB2 . SER 50 50 ? A -6.780 -7.866 4.708 1.000 1 A 94.690 1 ATOM 851 H HB3 . SER 50 50 ? A -5.718 -8.696 3.574 1.000 1 A 94.690 1 ATOM 852 H HG . SER 50 50 ? A -4.970 -6.666 4.561 1.000 1 A 94.690 1 ATOM 853 N N . VAL 51 51 ? A -9.086 -6.492 3.918 1.000 1 A 95.560 1 ATOM 854 C CA . VAL 51 51 ? A -9.848 -5.327 4.388 1.000 1 A 95.560 1 ATOM 855 C C . VAL 51 51 ? A -8.927 -4.123 4.645 1.000 1 A 95.560 1 ATOM 856 O O . VAL 51 51 ? A -9.224 -3.024 4.173 1.000 1 A 95.560 1 ATOM 857 C CB . VAL 51 51 ? A -10.657 -5.739 5.628 1.000 1 A 95.560 1 ATOM 858 C CG1 . VAL 51 51 ? A -11.255 -4.554 6.380 1.000 1 A 95.560 1 ATOM 859 C CG2 . VAL 51 51 ? A -11.815 -6.662 5.222 1.000 1 A 95.560 1 ATOM 860 H H . VAL 51 51 ? A -9.182 -7.361 4.424 1.000 1 A 95.560 1 ATOM 861 H HA . VAL 51 51 ? A -10.551 -5.025 3.611 1.000 1 A 95.560 1 ATOM 862 H HB . VAL 51 51 ? A -9.997 -6.287 6.300 1.000 1 A 95.560 1 ATOM 863 H HG11 . VAL 51 51 ? A -10.476 -3.894 6.762 1.000 1 A 95.560 1 ATOM 864 H HG12 . VAL 51 51 ? A -11.831 -4.923 7.229 1.000 1 A 95.560 1 ATOM 865 H HG13 . VAL 51 51 ? A -11.912 -4.012 5.700 1.000 1 A 95.560 1 ATOM 866 H HG21 . VAL 51 51 ? A -12.382 -6.952 6.107 1.000 1 A 95.560 1 ATOM 867 H HG22 . VAL 51 51 ? A -12.483 -6.156 4.525 1.000 1 A 95.560 1 ATOM 868 H HG23 . VAL 51 51 ? A -11.431 -7.573 4.764 1.000 1 A 95.560 1 ATOM 869 N N . PHE 52 52 ? A -7.760 -4.324 5.269 1.000 1 A 96.520 1 ATOM 870 C CA . PHE 52 52 ? A -6.744 -3.276 5.437 1.000 1 A 96.520 1 ATOM 871 C C . PHE 52 52 ? A -6.248 -2.695 4.100 1.000 1 A 96.520 1 ATOM 872 O O . PHE 52 52 ? A -6.109 -1.476 3.957 1.000 1 A 96.520 1 ATOM 873 C CB . PHE 52 52 ? A -5.564 -3.833 6.242 1.000 1 A 96.520 1 ATOM 874 C CG . PHE 52 52 ? A -4.442 -2.827 6.408 1.000 1 A 96.520 1 ATOM 875 C CD1 . PHE 52 52 ? A -3.239 -2.969 5.686 1.000 1 A 96.520 1 ATOM 876 C CD2 . PHE 52 52 ? A -4.614 -1.729 7.270 1.000 1 A 96.520 1 ATOM 877 C CE1 . PHE 52 52 ? A -2.220 -2.009 5.821 1.000 1 A 96.520 1 ATOM 878 C CE2 . PHE 52 52 ? A -3.592 -0.775 7.409 1.000 1 A 96.520 1 ATOM 879 C CZ . PHE 52 52 ? A -2.402 -0.908 6.676 1.000 1 A 96.520 1 ATOM 880 H H . PHE 52 52 ? A -7.588 -5.228 5.685 1.000 1 A 96.520 1 ATOM 881 H HA . PHE 52 52 ? A -7.182 -2.454 6.003 1.000 1 A 96.520 1 ATOM 882 H HB2 . PHE 52 52 ? A -5.177 -4.725 5.749 1.000 1 A 96.520 1 ATOM 883 H HB3 . PHE 52 52 ? A -5.915 -4.129 7.231 1.000 1 A 96.520 1 ATOM 884 H HD1 . PHE 52 52 ? A -3.093 -3.820 5.037 1.000 1 A 96.520 1 ATOM 885 H HD2 . PHE 52 52 ? A -5.523 -1.624 7.844 1.000 1 A 96.520 1 ATOM 886 H HE1 . PHE 52 52 ? A -1.291 -2.123 5.282 1.000 1 A 96.520 1 ATOM 887 H HE2 . PHE 52 52 ? A -3.716 0.050 8.095 1.000 1 A 96.520 1 ATOM 888 H HZ . PHE 52 52 ? A -1.626 -0.164 6.785 1.000 1 A 96.520 1 ATOM 889 N N . MET 53 53 ? A -6.035 -3.534 3.078 1.000 1 A 96.280 1 ATOM 890 C CA . MET 53 53 ? A -5.702 -3.033 1.740 1.000 1 A 96.280 1 ATOM 891 C C . MET 53 53 ? A -6.822 -2.166 1.173 1.000 1 A 96.280 1 ATOM 892 O O . MET 53 53 ? A -6.530 -1.121 0.599 1.000 1 A 96.280 1 ATOM 893 C CB . MET 53 53 ? A -5.429 -4.163 0.749 1.000 1 A 96.280 1 ATOM 894 C CG . MET 53 53 ? A -4.140 -4.909 1.048 1.000 1 A 96.280 1 ATOM 895 S SD . MET 53 53 ? A -3.906 -6.256 -0.124 1.000 1 A 96.280 1 ATOM 896 C CE . MET 53 53 ? A -2.331 -6.842 0.496 1.000 1 A 96.280 1 ATOM 897 H H . MET 53 53 ? A -6.192 -4.522 3.212 1.000 1 A 96.280 1 ATOM 898 H HA . MET 53 53 ? A -4.811 -2.409 1.811 1.000 1 A 96.280 1 ATOM 899 H HB2 . MET 53 53 ? A -5.340 -3.737 -0.251 1.000 1 A 96.280 1 ATOM 900 H HB3 . MET 53 53 ? A -6.260 -4.868 0.736 1.000 1 A 96.280 1 ATOM 901 H HG2 . MET 53 53 ? A -3.302 -4.217 0.967 1.000 1 A 96.280 1 ATOM 902 H HG3 . MET 53 53 ? A -4.167 -5.311 2.060 1.000 1 A 96.280 1 ATOM 903 H HE1 . MET 53 53 ? A -1.604 -6.030 0.457 1.000 1 A 96.280 1 ATOM 904 H HE2 . MET 53 53 ? A -1.993 -7.669 -0.128 1.000 1 A 96.280 1 ATOM 905 H HE3 . MET 53 53 ? A -2.444 -7.170 1.529 1.000 1 A 96.280 1 ATOM 906 N N . TRP 54 54 ? A -8.091 -2.542 1.347 1.000 1 A 96.370 1 ATOM 907 C CA . TRP 54 54 ? A -9.218 -1.731 0.877 1.000 1 A 96.370 1 ATOM 908 C C . TRP 54 54 ? A -9.303 -0.377 1.586 1.000 1 A 96.370 1 ATOM 909 O O . TRP 54 54 ? A -9.549 0.628 0.921 1.000 1 A 96.370 1 ATOM 910 C CB . TRP 54 54 ? A -10.530 -2.518 0.977 1.000 1 A 96.370 1 ATOM 911 C CG . TRP 54 54 ? A -10.625 -3.634 -0.017 1.000 1 A 96.370 1 ATOM 912 C CD1 . TRP 54 54 ? A -10.669 -4.956 0.265 1.000 1 A 96.370 1 ATOM 913 C CD2 . TRP 54 54 ? A -10.576 -3.540 -1.472 1.000 1 A 96.370 1 ATOM 914 N NE1 . TRP 54 54 ? A -10.639 -5.684 -0.909 1.000 1 A 96.370 1 ATOM 915 C CE2 . TRP 54 54 ? A -10.529 -4.861 -2.006 1.000 1 A 96.370 1 ATOM 916 C CE3 . TRP 54 54 ? A -10.510 -2.469 -2.392 1.000 1 A 96.370 1 ATOM 917 C CZ2 . TRP 54 54 ? A -10.352 -5.102 -3.376 1.000 1 A 96.370 1 ATOM 918 C CZ3 . TRP 54 54 ? A -10.335 -2.704 -3.770 1.000 1 A 96.370 1 ATOM 919 C CH2 . TRP 54 54 ? A -10.218 -4.018 -4.257 1.000 1 A 96.370 1 ATOM 920 H H . TRP 54 54 ? A -8.277 -3.417 1.816 1.000 1 A 96.370 1 ATOM 921 H HA . TRP 54 54 ? A -9.049 -1.509 -0.176 1.000 1 A 96.370 1 ATOM 922 H HB2 . TRP 54 54 ? A -10.650 -2.913 1.986 1.000 1 A 96.370 1 ATOM 923 H HB3 . TRP 54 54 ? A -11.360 -1.837 0.790 1.000 1 A 96.370 1 ATOM 924 H HD1 . TRP 54 54 ? A -10.655 -5.381 1.258 1.000 1 A 96.370 1 ATOM 925 H HE1 . TRP 54 54 ? A -10.575 -6.692 -0.936 1.000 1 A 96.370 1 ATOM 926 H HE3 . TRP 54 54 ? A -10.530 -1.457 -2.015 1.000 1 A 96.370 1 ATOM 927 H HZ2 . TRP 54 54 ? A -10.210 -6.114 -3.725 1.000 1 A 96.370 1 ATOM 928 H HZ3 . TRP 54 54 ? A -10.205 -1.869 -4.444 1.000 1 A 96.370 1 ATOM 929 H HH2 . TRP 54 54 ? A -9.975 -4.195 -5.294 1.000 1 A 96.370 1 ATOM 930 N N . ILE 55 55 ? A -9.022 -0.323 2.889 1.000 1 A 96.900 1 ATOM 931 C CA . ILE 55 55 ? A -8.894 0.928 3.659 1.000 1 A 96.900 1 ATOM 932 C C . ILE 55 55 ? A -7.825 1.836 3.034 1.000 1 A 96.900 1 ATOM 933 O O . ILE 55 55 ? A -8.083 3.012 2.761 1.000 1 A 96.900 1 ATOM 934 C CB . ILE 55 55 ? A -8.602 0.580 5.139 1.000 1 A 96.900 1 ATOM 935 C CG1 . ILE 55 55 ? A -9.872 -0.022 5.772 1.000 1 A 96.900 1 ATOM 936 C CG2 . ILE 55 55 ? A -8.099 1.776 5.954 1.000 1 A 96.900 1 ATOM 937 C CD1 . ILE 55 55 ? A -9.672 -0.621 7.161 1.000 1 A 96.900 1 ATOM 938 H H . ILE 55 55 ? A -8.862 -1.195 3.373 1.000 1 A 96.900 1 ATOM 939 H HA . ILE 55 55 ? A -9.835 1.478 3.615 1.000 1 A 96.900 1 ATOM 940 H HB . ILE 55 55 ? A -7.818 -0.177 5.172 1.000 1 A 96.900 1 ATOM 941 H HG12 . ILE 55 55 ? A -10.219 -0.838 5.138 1.000 1 A 96.900 1 ATOM 942 H HG13 . ILE 55 55 ? A -10.655 0.734 5.822 1.000 1 A 96.900 1 ATOM 943 H HG21 . ILE 55 55 ? A -7.844 1.463 6.967 1.000 1 A 96.900 1 ATOM 944 H HG22 . ILE 55 55 ? A -8.865 2.549 6.015 1.000 1 A 96.900 1 ATOM 945 H HG23 . ILE 55 55 ? A -7.194 2.189 5.509 1.000 1 A 96.900 1 ATOM 946 H HD11 . ILE 55 55 ? A -9.477 0.165 7.891 1.000 1 A 96.900 1 ATOM 947 H HD12 . ILE 55 55 ? A -8.845 -1.331 7.145 1.000 1 A 96.900 1 ATOM 948 H HD13 . ILE 55 55 ? A -10.582 -1.146 7.452 1.000 1 A 96.900 1 ATOM 949 N N . CYS 56 56 ? A -6.658 1.274 2.707 1.000 1 A 96.420 1 ATOM 950 C CA . CYS 56 56 ? A -5.567 1.995 2.049 1.000 1 A 96.420 1 ATOM 951 C C . CYS 56 56 ? A -5.932 2.437 0.620 1.000 1 A 96.420 1 ATOM 952 O O . CYS 56 56 ? A -5.707 3.584 0.233 1.000 1 A 96.420 1 ATOM 953 C CB . CYS 56 56 ? A -4.327 1.092 2.027 1.000 1 A 96.420 1 ATOM 954 S SG . CYS 56 56 ? A -3.705 0.796 3.704 1.000 1 A 96.420 1 ATOM 955 H H . CYS 56 56 ? A -6.505 0.312 2.975 1.000 1 A 96.420 1 ATOM 956 H HA . CYS 56 56 ? A -5.338 2.894 2.622 1.000 1 A 96.420 1 ATOM 957 H HB2 . CYS 56 56 ? A -3.543 1.584 1.452 1.000 1 A 96.420 1 ATOM 958 H HB3 . CYS 56 56 ? A -4.559 0.138 1.554 1.000 1 A 96.420 1 ATOM 959 H HG . CYS 56 56 ? A -4.671 -0.017 4.141 1.000 1 A 96.420 1 ATOM 960 N N . ILE 57 57 ? A -6.535 1.545 -0.171 1.000 1 A 95.420 1 ATOM 961 C CA . ILE 57 57 ? A -6.950 1.799 -1.557 1.000 1 A 95.420 1 ATOM 962 C C . ILE 57 57 ? A -8.006 2.904 -1.613 1.000 1 A 95.420 1 ATOM 963 O O . ILE 57 57 ? A -7.961 3.731 -2.525 1.000 1 A 95.420 1 ATOM 964 C CB . ILE 57 57 ? A -7.464 0.496 -2.217 1.000 1 A 95.420 1 ATOM 965 C CG1 . ILE 57 57 ? A -6.292 -0.470 -2.501 1.000 1 A 95.420 1 ATOM 966 C CG2 . ILE 57 57 ? A -8.212 0.773 -3.539 1.000 1 A 95.420 1 ATOM 967 C CD1 . ILE 57 57 ? A -6.730 -1.918 -2.760 1.000 1 A 95.420 1 ATOM 968 H H . ILE 57 57 ? A -6.682 0.620 0.207 1.000 1 A 95.420 1 ATOM 969 H HA . ILE 57 57 ? A -6.083 2.149 -2.117 1.000 1 A 95.420 1 ATOM 970 H HB . ILE 57 57 ? A -8.162 0.018 -1.530 1.000 1 A 95.420 1 ATOM 971 H HG12 . ILE 57 57 ? A -5.741 -0.113 -3.372 1.000 1 A 95.420 1 ATOM 972 H HG13 . ILE 57 57 ? A -5.599 -0.477 -1.659 1.000 1 A 95.420 1 ATOM 973 H HG21 . ILE 57 57 ? A -9.130 1.330 -3.349 1.000 1 A 95.420 1 ATOM 974 H HG22 . ILE 57 57 ? A -7.572 1.327 -4.226 1.000 1 A 95.420 1 ATOM 975 H HG23 . ILE 57 57 ? A -8.501 -0.166 -4.010 1.000 1 A 95.420 1 ATOM 976 H HD11 . ILE 57 57 ? A -7.353 -2.275 -1.940 1.000 1 A 95.420 1 ATOM 977 H HD12 . ILE 57 57 ? A -7.280 -1.997 -3.698 1.000 1 A 95.420 1 ATOM 978 H HD13 . ILE 57 57 ? A -5.846 -2.553 -2.827 1.000 1 A 95.420 1 ATOM 979 N N . TYR 58 58 ? A -8.940 2.950 -0.666 1.000 1 A 95.980 1 ATOM 980 C CA . TYR 58 58 ? A -9.933 4.021 -0.585 1.000 1 A 95.980 1 ATOM 981 C C . TYR 58 58 ? A -9.420 5.281 0.116 1.000 1 A 95.980 1 ATOM 982 O O . TYR 58 58 ? A -10.113 6.292 0.105 1.000 1 A 95.980 1 ATOM 983 C CB . TYR 58 58 ? A -11.232 3.483 0.028 1.000 1 A 95.980 1 ATOM 984 C CG . TYR 58 58 ? A -11.964 2.489 -0.855 1.000 1 A 95.980 1 ATOM 985 C CD1 . TYR 58 58 ? A -12.240 2.803 -2.201 1.000 1 A 95.980 1 ATOM 986 C CD2 . TYR 58 58 ? A -12.388 1.256 -0.329 1.000 1 A 95.980 1 ATOM 987 C CE1 . TYR 58 58 ? A -12.900 1.876 -3.026 1.000 1 A 95.980 1 ATOM 988 C CE2 . TYR 58 58 ? A -13.087 0.344 -1.136 1.000 1 A 95.980 1 ATOM 989 C CZ . TYR 58 58 ? A -13.329 0.644 -2.491 1.000 1 A 95.980 1 ATOM 990 O OH . TYR 58 58 ? A -13.984 -0.233 -3.297 1.000 1 A 95.980 1 ATOM 991 H H . TYR 58 58 ? A -8.971 2.220 0.031 1.000 1 A 95.980 1 ATOM 992 H HA . TYR 58 58 ? A -10.162 4.354 -1.597 1.000 1 A 95.980 1 ATOM 993 H HB2 . TYR 58 58 ? A -11.910 4.316 0.218 1.000 1 A 95.980 1 ATOM 994 H HB3 . TYR 58 58 ? A -11.002 3.018 0.987 1.000 1 A 95.980 1 ATOM 995 H HD1 . TYR 58 58 ? A -11.950 3.764 -2.601 1.000 1 A 95.980 1 ATOM 996 H HD2 . TYR 58 58 ? A -12.173 1.005 0.700 1.000 1 A 95.980 1 ATOM 997 H HE1 . TYR 58 58 ? A -13.088 2.123 -4.060 1.000 1 A 95.980 1 ATOM 998 H HE2 . TYR 58 58 ? A -13.444 -0.579 -0.705 1.000 1 A 95.980 1 ATOM 999 H HH . TYR 58 58 ? A -14.023 0.116 -4.191 1.000 1 A 95.980 1 ATOM 1000 N N . GLY 59 59 ? A -8.200 5.259 0.659 1.000 1 A 95.350 1 ATOM 1001 C CA . GLY 59 59 ? A -7.584 6.418 1.298 1.000 1 A 95.350 1 ATOM 1002 C C . GLY 59 59 ? A -8.305 6.854 2.574 1.000 1 A 95.350 1 ATOM 1003 O O . GLY 59 59 ? A -8.426 8.050 2.832 1.000 1 A 95.350 1 ATOM 1004 H H . GLY 59 59 ? A -7.680 4.393 0.657 1.000 1 A 95.350 1 ATOM 1005 H HA2 . GLY 59 59 ? A -6.560 6.150 1.561 1.000 1 A 95.350 1 ATOM 1006 H HA3 . GLY 59 59 ? A -7.570 7.258 0.604 1.000 1 A 95.350 1 ATOM 1007 N N . ARG 60 60 ? A -8.813 5.893 3.351 1.000 1 A 95.520 1 ATOM 1008 C CA . ARG 60 60 ? A -9.586 6.133 4.576 1.000 1 A 95.520 1 ATOM 1009 C C . ARG 60 60 ? A -8.670 6.434 5.756 1.000 1 A 95.520 1 ATOM 1010 O O . ARG 60 60 ? A -8.308 5.546 6.520 1.000 1 A 95.520 1 ATOM 1011 C CB . ARG 60 60 ? A -10.503 4.931 4.840 1.000 1 A 95.520 1 ATOM 1012 C CG . ARG 60 60 ? A -11.518 4.667 3.726 1.000 1 A 95.520 1 ATOM 1013 C CD . ARG 60 60 ? A -12.354 5.897 3.399 1.000 1 A 95.520 1 ATOM 1014 N NE . ARG 60 60 ? A -13.099 6.341 4.590 1.000 1 A 95.520 1 ATOM 1015 C CZ . ARG 60 60 ? A -14.399 6.435 4.693 1.000 1 A 95.520 1 ATOM 1016 N NH1 . ARG 60 60 ? A -15.163 6.050 3.711 1.000 1 A 95.520 1 ATOM 1017 N NH2 . ARG 60 60 ? A -14.901 6.943 5.776 1.000 1 A 95.520 1 ATOM 1018 H H . ARG 60 60 ? A -8.625 4.934 3.096 1.000 1 A 95.520 1 ATOM 1019 H HA . ARG 60 60 ? A -10.203 7.024 4.463 1.000 1 A 95.520 1 ATOM 1020 H HB2 . ARG 60 60 ? A -11.037 5.095 5.776 1.000 1 A 95.520 1 ATOM 1021 H HB3 . ARG 60 60 ? A -9.893 4.033 4.943 1.000 1 A 95.520 1 ATOM 1022 H HG2 . ARG 60 60 ? A -12.185 3.867 4.046 1.000 1 A 95.520 1 ATOM 1023 H HG3 . ARG 60 60 ? A -10.992 4.347 2.826 1.000 1 A 95.520 1 ATOM 1024 H HD2 . ARG 60 60 ? A -11.716 6.706 3.043 1.000 1 A 95.520 1 ATOM 1025 H HD3 . ARG 60 60 ? A -13.020 5.643 2.575 1.000 1 A 95.520 1 ATOM 1026 H HE . ARG 60 60 ? A -12.577 6.664 5.392 1.000 1 A 95.520 1 ATOM 1027 H HH11 . ARG 60 60 ? A -16.149 6.266 3.718 1.000 1 A 95.520 1 ATOM 1028 H HH12 . ARG 60 60 ? A -14.779 5.378 3.063 1.000 1 A 95.520 1 ATOM 1029 H HH21 . ARG 60 60 ? A -14.280 7.259 6.508 1.000 1 A 95.520 1 ATOM 1030 H HH22 . ARG 60 60 ? A -15.880 6.987 6.018 1.000 1 A 95.520 1 ATOM 1031 N N . ILE 61 61 ? A -8.253 7.695 5.866 1.000 1 A 95.920 1 ATOM 1032 C CA . ILE 61 61 ? A -7.352 8.169 6.929 1.000 1 A 95.920 1 ATOM 1033 C C . ILE 61 61 ? A -7.985 7.986 8.312 1.000 1 A 95.920 1 ATOM 1034 O O . ILE 61 61 ? A -7.304 7.593 9.250 1.000 1 A 95.920 1 ATOM 1035 C CB . ILE 61 61 ? A -6.977 9.652 6.700 1.000 1 A 95.920 1 ATOM 1036 C CG1 . ILE 61 61 ? A -6.233 9.812 5.357 1.000 1 A 95.920 1 ATOM 1037 C CG2 . ILE 61 61 ? A -6.109 10.188 7.859 1.000 1 A 95.920 1 ATOM 1038 C CD1 . ILE 61 61 ? A -5.931 11.264 4.966 1.000 1 A 95.920 1 ATOM 1039 H H . ILE 61 61 ? A -8.558 8.343 5.154 1.000 1 A 95.920 1 ATOM 1040 H HA . ILE 61 61 ? A -6.441 7.571 6.913 1.000 1 A 95.920 1 ATOM 1041 H HB . ILE 61 61 ? A -7.894 10.239 6.661 1.000 1 A 95.920 1 ATOM 1042 H HG12 . ILE 61 61 ? A -6.836 9.389 4.553 1.000 1 A 95.920 1 ATOM 1043 H HG13 . ILE 61 61 ? A -5.299 9.253 5.408 1.000 1 A 95.920 1 ATOM 1044 H HG21 . ILE 61 61 ? A -5.845 11.233 7.692 1.000 1 A 95.920 1 ATOM 1045 H HG22 . ILE 61 61 ? A -6.662 10.143 8.797 1.000 1 A 95.920 1 ATOM 1046 H HG23 . ILE 61 61 ? A -5.201 9.593 7.952 1.000 1 A 95.920 1 ATOM 1047 H HD11 . ILE 61 61 ? A -5.561 11.287 3.941 1.000 1 A 95.920 1 ATOM 1048 H HD12 . ILE 61 61 ? A -6.839 11.863 5.028 1.000 1 A 95.920 1 ATOM 1049 H HD13 . ILE 61 61 ? A -5.164 11.686 5.616 1.000 1 A 95.920 1 ATOM 1050 N N . ASP 62 62 ? A -9.280 8.259 8.418 1.000 1 A 96.180 1 ATOM 1051 C CA . ASP 62 62 ? A -10.107 8.048 9.604 1.000 1 A 96.180 1 ATOM 1052 C C . ASP 62 62 ? A -10.053 6.590 10.090 1.000 1 A 96.180 1 ATOM 1053 O O . ASP 62 62 ? A -9.760 6.335 11.254 1.000 1 A 96.180 1 ATOM 1054 C CB . ASP 62 62 ? A -11.538 8.531 9.270 1.000 1 A 96.180 1 ATOM 1055 C CG . ASP 62 62 ? A -12.196 7.923 8.008 1.000 1 A 96.180 1 ATOM 1056 O OD1 . ASP 62 62 ? A -11.491 7.515 7.046 1.000 1 A 96.180 1 ATOM 1057 O OD2 . ASP 62 62 ? A -13.439 7.861 7.931 1.000 1 A 96.180 1 ATOM 1058 H H . ASP 62 62 ? A -9.796 8.421 7.565 1.000 1 A 96.180 1 ATOM 1059 H HA . ASP 62 62 ? A -9.727 8.662 10.420 1.000 1 A 96.180 1 ATOM 1060 H HB2 . ASP 62 62 ? A -12.176 8.347 10.134 1.000 1 A 96.180 1 ATOM 1061 H HB3 . ASP 62 62 ? A -11.500 9.612 9.129 1.000 1 A 96.180 1 ATOM 1062 N N . PHE 63 63 ? A -10.199 5.632 9.173 1.000 1 A 97.060 1 ATOM 1063 C CA . PHE 63 63 ? A -10.106 4.203 9.487 1.000 1 A 97.060 1 ATOM 1064 C C . PHE 63 63 ? A -8.679 3.799 9.870 1.000 1 A 97.060 1 ATOM 1065 O O . PHE 63 63 ? A -8.496 3.016 10.794 1.000 1 A 97.060 1 ATOM 1066 C CB . PHE 63 63 ? A -10.560 3.367 8.284 1.000 1 A 97.060 1 ATOM 1067 C CG . PHE 63 63 ? A -12.053 3.286 8.020 1.000 1 A 97.060 1 ATOM 1068 C CD1 . PHE 63 63 ? A -12.676 2.029 7.913 1.000 1 A 97.060 1 ATOM 1069 C CD2 . PHE 63 63 ? A -12.834 4.445 7.873 1.000 1 A 97.060 1 ATOM 1070 C CE1 . PHE 63 63 ? A -14.051 1.944 7.641 1.000 1 A 97.060 1 ATOM 1071 C CE2 . PHE 63 63 ? A -14.214 4.360 7.645 1.000 1 A 97.060 1 ATOM 1072 C CZ . PHE 63 63 ? A -14.822 3.107 7.505 1.000 1 A 97.060 1 ATOM 1073 H H . PHE 63 63 ? A -10.412 5.913 8.227 1.000 1 A 97.060 1 ATOM 1074 H HA . PHE 63 63 ? A -10.744 3.974 10.340 1.000 1 A 97.060 1 ATOM 1075 H HB2 . PHE 63 63 ? A -10.194 2.351 8.435 1.000 1 A 97.060 1 ATOM 1076 H HB3 . PHE 63 63 ? A -10.071 3.755 7.390 1.000 1 A 97.060 1 ATOM 1077 H HD1 . PHE 63 63 ? A -12.107 1.123 8.060 1.000 1 A 97.060 1 ATOM 1078 H HD2 . PHE 63 63 ? A -12.391 5.423 7.995 1.000 1 A 97.060 1 ATOM 1079 H HE1 . PHE 63 63 ? A -14.525 0.976 7.575 1.000 1 A 97.060 1 ATOM 1080 H HE2 . PHE 63 63 ? A -14.816 5.256 7.641 1.000 1 A 97.060 1 ATOM 1081 H HZ . PHE 63 63 ? A -15.887 3.028 7.343 1.000 1 A 97.060 1 ATOM 1082 N N . LEU 64 64 ? A -7.660 4.318 9.174 1.000 1 A 96.500 1 ATOM 1083 C CA . LEU 64 64 ? A -6.260 4.030 9.504 1.000 1 A 96.500 1 ATOM 1084 C C . LEU 64 64 ? A -5.891 4.536 10.898 1.000 1 A 96.500 1 ATOM 1085 O O . LEU 64 64 ? A -5.234 3.811 11.634 1.000 1 A 96.500 1 ATOM 1086 C CB . LEU 64 64 ? A -5.318 4.653 8.463 1.000 1 A 96.500 1 ATOM 1087 C CG . LEU 64 64 ? A -5.331 3.947 7.102 1.000 1 A 96.500 1 ATOM 1088 C CD1 . LEU 64 64 ? A -4.525 4.765 6.098 1.000 1 A 96.500 1 ATOM 1089 C CD2 . LEU 64 64 ? A -4.729 2.544 7.166 1.000 1 A 96.500 1 ATOM 1090 H H . LEU 64 64 ? A -7.871 4.944 8.409 1.000 1 A 96.500 1 ATOM 1091 H HA . LEU 64 64 ? A -6.116 2.950 9.531 1.000 1 A 96.500 1 ATOM 1092 H HB2 . LEU 64 64 ? A -4.301 4.622 8.853 1.000 1 A 96.500 1 ATOM 1093 H HB3 . LEU 64 64 ? A -5.589 5.701 8.331 1.000 1 A 96.500 1 ATOM 1094 H HG . LEU 64 64 ? A -6.356 3.880 6.737 1.000 1 A 96.500 1 ATOM 1095 H HD11 . LEU 64 64 ? A -4.544 4.273 5.126 1.000 1 A 96.500 1 ATOM 1096 H HD12 . LEU 64 64 ? A -4.974 5.755 6.010 1.000 1 A 96.500 1 ATOM 1097 H HD13 . LEU 64 64 ? A -3.493 4.860 6.438 1.000 1 A 96.500 1 ATOM 1098 H HD21 . LEU 64 64 ? A -4.685 2.108 6.168 1.000 1 A 96.500 1 ATOM 1099 H HD22 . LEU 64 64 ? A -3.724 2.589 7.587 1.000 1 A 96.500 1 ATOM 1100 H HD23 . LEU 64 64 ? A -5.347 1.901 7.793 1.000 1 A 96.500 1 ATOM 1101 N N . LYS 65 65 ? A -6.324 5.748 11.265 1.000 1 A 95.980 1 ATOM 1102 C CA . LYS 65 65 ? A -6.111 6.298 12.610 1.000 1 A 95.980 1 ATOM 1103 C C . LYS 65 65 ? A -6.725 5.395 13.670 1.000 1 A 95.980 1 ATOM 1104 O O . LYS 65 65 ? A -5.997 4.948 14.546 1.000 1 A 95.980 1 ATOM 1105 C CB . LYS 65 65 ? A -6.702 7.704 12.723 1.000 1 A 95.980 1 ATOM 1106 C CG . LYS 65 65 ? A -5.833 8.755 12.026 1.000 1 A 95.980 1 ATOM 1107 C CD . LYS 65 65 ? A -6.532 10.109 12.148 1.000 1 A 95.980 1 ATOM 1108 C CE . LYS 65 65 ? A -5.676 11.220 11.544 1.000 1 A 95.980 1 ATOM 1109 N NZ . LYS 65 65 ? A -6.302 12.539 11.801 1.000 1 A 95.980 1 ATOM 1110 H H . LYS 65 65 ? A -6.882 6.275 10.610 1.000 1 A 95.980 1 ATOM 1111 H HA . LYS 65 65 ? A -5.046 6.329 12.837 1.000 1 A 95.980 1 ATOM 1112 H HB2 . LYS 65 65 ? A -6.773 7.964 13.779 1.000 1 A 95.980 1 ATOM 1113 H HB3 . LYS 65 65 ? A -7.708 7.713 12.304 1.000 1 A 95.980 1 ATOM 1114 H HG2 . LYS 65 65 ? A -5.689 8.504 10.975 1.000 1 A 95.980 1 ATOM 1115 H HG3 . LYS 65 65 ? A -4.861 8.799 12.517 1.000 1 A 95.980 1 ATOM 1116 H HD2 . LYS 65 65 ? A -6.704 10.314 13.205 1.000 1 A 95.980 1 ATOM 1117 H HD3 . LYS 65 65 ? A -7.494 10.061 11.638 1.000 1 A 95.980 1 ATOM 1118 H HE2 . LYS 65 65 ? A -4.689 11.177 12.006 1.000 1 A 95.980 1 ATOM 1119 H HE3 . LYS 65 65 ? A -5.563 11.039 10.475 1.000 1 A 95.980 1 ATOM 1120 H HZ1 . LYS 65 65 ? A -6.400 12.672 12.798 1.000 1 A 95.980 1 ATOM 1121 H HZ2 . LYS 65 65 ? A -5.739 13.292 11.432 1.000 1 A 95.980 1 ATOM 1122 H HZ3 . LYS 65 65 ? A -7.229 12.575 11.401 1.000 1 A 95.980 1 ATOM 1123 N N . PHE 66 66 ? A -8.006 5.054 13.511 1.000 1 A 96.310 1 ATOM 1124 C CA . PHE 66 66 ? A -8.689 4.129 14.410 1.000 1 A 96.310 1 ATOM 1125 C C . PHE 66 66 ? A -7.918 2.810 14.541 1.000 1 A 96.310 1 ATOM 1126 O O . PHE 66 66 ? A -7.552 2.427 15.645 1.000 1 A 96.310 1 ATOM 1127 C CB . PHE 66 66 ? A -10.122 3.893 13.911 1.000 1 A 96.310 1 ATOM 1128 C CG . PHE 66 66 ? A -10.805 2.738 14.615 1.000 1 A 96.310 1 ATOM 1129 C CD1 . PHE 66 66 ? A -10.945 1.496 13.966 1.000 1 A 96.310 1 ATOM 1130 C CD2 . PHE 66 66 ? A -11.226 2.882 15.948 1.000 1 A 96.310 1 ATOM 1131 C CE1 . PHE 66 66 ? A -11.506 0.403 14.649 1.000 1 A 96.310 1 ATOM 1132 C CE2 . PHE 66 66 ? A -11.778 1.786 16.634 1.000 1 A 96.310 1 ATOM 1133 C CZ . PHE 66 66 ? A -11.919 0.547 15.985 1.000 1 A 96.310 1 ATOM 1134 H H . PHE 66 66 ? A -8.540 5.478 12.765 1.000 1 A 96.310 1 ATOM 1135 H HA . PHE 66 66 ? A -8.736 4.571 15.405 1.000 1 A 96.310 1 ATOM 1136 H HB2 . PHE 66 66 ? A -10.706 4.800 14.067 1.000 1 A 96.310 1 ATOM 1137 H HB3 . PHE 66 66 ? A -10.106 3.692 12.840 1.000 1 A 96.310 1 ATOM 1138 H HD1 . PHE 66 66 ? A -10.604 1.379 12.948 1.000 1 A 96.310 1 ATOM 1139 H HD2 . PHE 66 66 ? A -11.119 3.831 16.452 1.000 1 A 96.310 1 ATOM 1140 H HE1 . PHE 66 66 ? A -11.603 -0.553 14.156 1.000 1 A 96.310 1 ATOM 1141 H HE2 . PHE 66 66 ? A -12.087 1.899 17.663 1.000 1 A 96.310 1 ATOM 1142 H HZ . PHE 66 66 ? A -12.336 -0.295 16.518 1.000 1 A 96.310 1 ATOM 1143 N N . LEU 67 67 ? A -7.595 2.151 13.422 1.000 1 A 95.750 1 ATOM 1144 C CA . LEU 67 67 ? A -6.886 0.869 13.430 1.000 1 A 95.750 1 ATOM 1145 C C . LEU 67 67 ? A -5.527 0.937 14.131 1.000 1 A 95.750 1 ATOM 1146 O O . LEU 67 67 ? A -5.187 0.046 14.901 1.000 1 A 95.750 1 ATOM 1147 C CB . LEU 67 67 ? A -6.689 0.388 11.984 1.000 1 A 95.750 1 ATOM 1148 C CG . LEU 67 67 ? A -7.933 -0.193 11.301 1.000 1 A 95.750 1 ATOM 1149 C CD1 . LEU 67 67 ? A -7.520 -0.742 9.933 1.000 1 A 95.750 1 ATOM 1150 C CD2 . LEU 67 67 ? A -8.546 -1.327 12.116 1.000 1 A 95.750 1 ATOM 1151 H H . LEU 67 67 ? A -7.898 2.535 12.538 1.000 1 A 95.750 1 ATOM 1152 H HA . LEU 67 67 ? A -7.469 0.145 14.000 1.000 1 A 95.750 1 ATOM 1153 H HB2 . LEU 67 67 ? A -5.935 -0.399 12.004 1.000 1 A 95.750 1 ATOM 1154 H HB3 . LEU 67 67 ? A -6.293 1.206 11.383 1.000 1 A 95.750 1 ATOM 1155 H HG . LEU 67 67 ? A -8.696 0.572 11.159 1.000 1 A 95.750 1 ATOM 1156 H HD11 . LEU 67 67 ? A -8.377 -1.237 9.477 1.000 1 A 95.750 1 ATOM 1157 H HD12 . LEU 67 67 ? A -7.180 0.080 9.303 1.000 1 A 95.750 1 ATOM 1158 H HD13 . LEU 67 67 ? A -6.719 -1.470 10.059 1.000 1 A 95.750 1 ATOM 1159 H HD21 . LEU 67 67 ? A -7.769 -2.024 12.431 1.000 1 A 95.750 1 ATOM 1160 H HD22 . LEU 67 67 ? A -9.311 -1.849 11.541 1.000 1 A 95.750 1 ATOM 1161 H HD23 . LEU 67 67 ? A -9.030 -0.929 13.008 1.000 1 A 95.750 1 ATOM 1162 N N . PHE 68 68 ? A -4.759 1.992 13.878 1.000 1 A 94.420 1 ATOM 1163 C CA . PHE 68 68 ? A -3.449 2.189 14.491 1.000 1 A 94.420 1 ATOM 1164 C C . PHE 68 68 ? A -3.524 2.504 15.986 1.000 1 A 94.420 1 ATOM 1165 O O . PHE 68 68 ? A -2.569 2.204 16.699 1.000 1 A 94.420 1 ATOM 1166 C CB . PHE 68 68 ? A -2.732 3.308 13.729 1.000 1 A 94.420 1 ATOM 1167 C CG . PHE 68 68 ? A -2.339 3.005 12.290 1.000 1 A 94.420 1 ATOM 1168 C CD1 . PHE 68 68 ? A -2.283 1.687 11.788 1.000 1 A 94.420 1 ATOM 1169 C CD2 . PHE 68 68 ? A -2.002 4.079 11.443 1.000 1 A 94.420 1 ATOM 1170 C CE1 . PHE 68 68 ? A -1.893 1.449 10.461 1.000 1 A 94.420 1 ATOM 1171 C CE2 . PHE 68 68 ? A -1.605 3.841 10.115 1.000 1 A 94.420 1 ATOM 1172 C CZ . PHE 68 68 ? A -1.547 2.524 9.629 1.000 1 A 94.420 1 ATOM 1173 H H . PHE 68 68 ? A -5.100 2.701 13.244 1.000 1 A 94.420 1 ATOM 1174 H HA . PHE 68 68 ? A -2.871 1.267 14.423 1.000 1 A 94.420 1 ATOM 1175 H HB2 . PHE 68 68 ? A -3.375 4.188 13.735 1.000 1 A 94.420 1 ATOM 1176 H HB3 . PHE 68 68 ? A -1.830 3.581 14.276 1.000 1 A 94.420 1 ATOM 1177 H HD1 . PHE 68 68 ? A -2.514 0.839 12.415 1.000 1 A 94.420 1 ATOM 1178 H HD2 . PHE 68 68 ? A -2.049 5.088 11.824 1.000 1 A 94.420 1 ATOM 1179 H HE1 . PHE 68 68 ? A -1.830 0.432 10.103 1.000 1 A 94.420 1 ATOM 1180 H HE2 . PHE 68 68 ? A -1.330 4.669 9.478 1.000 1 A 94.420 1 ATOM 1181 H HZ . PHE 68 68 ? A -1.216 2.327 8.621 1.000 1 A 94.420 1 ATOM 1182 N N . GLU 69 69 ? A -4.629 3.088 16.452 1.000 1 A 93.950 1 ATOM 1183 C CA . GLU 69 69 ? A -4.925 3.293 17.874 1.000 1 A 93.950 1 ATOM 1184 C C . GLU 69 69 ? A -5.369 2.000 18.575 1.000 1 A 93.950 1 ATOM 1185 O O . GLU 69 69 ? A -5.233 1.907 19.792 1.000 1 A 93.950 1 ATOM 1186 C CB . GLU 69 69 ? A -6.014 4.374 18.021 1.000 1 A 93.950 1 ATOM 1187 C CG . GLU 69 69 ? A -5.512 5.791 17.688 1.000 1 A 93.950 1 ATOM 1188 C CD . GLU 69 69 ? A -6.641 6.820 17.482 1.000 1 A 93.950 1 ATOM 1189 O OE1 . GLU 69 69 ? A -6.311 7.943 17.022 1.000 1 A 93.950 1 ATOM 1190 O OE2 . GLU 69 69 ? A -7.819 6.501 17.756 1.000 1 A 93.950 1 ATOM 1191 H H . GLU 69 69 ? A -5.343 3.366 15.794 1.000 1 A 93.950 1 ATOM 1192 H HA . GLU 69 69 ? A -4.027 3.632 18.391 1.000 1 A 93.950 1 ATOM 1193 H HB2 . GLU 69 69 ? A -6.851 4.121 17.371 1.000 1 A 93.950 1 ATOM 1194 H HB3 . GLU 69 69 ? A -6.378 4.379 19.048 1.000 1 A 93.950 1 ATOM 1195 H HG2 . GLU 69 69 ? A -4.901 5.759 16.785 1.000 1 A 93.950 1 ATOM 1196 H HG3 . GLU 69 69 ? A -4.863 6.126 18.498 1.000 1 A 93.950 1 ATOM 1197 N N . GLN 70 70 ? A -5.883 1.007 17.835 1.000 1 A 93.260 1 ATOM 1198 C CA . GLN 70 70 ? A -6.313 -0.276 18.410 1.000 1 A 93.260 1 ATOM 1199 C C . GLN 70 70 ? A -5.163 -1.268 18.637 1.000 1 A 93.260 1 ATOM 1200 O O . GLN 70 70 ? A -5.296 -2.182 19.446 1.000 1 A 93.260 1 ATOM 1201 C CB . GLN 70 70 ? A -7.380 -0.954 17.531 1.000 1 A 93.260 1 ATOM 1202 C CG . GLN 70 70 ? A -8.694 -0.186 17.322 1.000 1 A 93.260 1 ATOM 1203 C CD . GLN 70 70 ? A -9.226 0.474 18.583 1.000 1 A 93.260 1 ATOM 1204 O OE1 . GLN 70 70 ? A -9.773 -0.169 19.463 1.000 1 A 93.260 1 ATOM 1205 N NE2 . GLN 70 70 ? A -9.095 1.776 18.712 1.000 1 A 93.260 1 ATOM 1206 H H . GLN 70 70 ? A -5.988 1.149 16.840 1.000 1 A 93.260 1 ATOM 1207 H HA . GLN 70 70 ? A -6.746 -0.091 19.393 1.000 1 A 93.260 1 ATOM 1208 H HB2 . GLN 70 70 ? A -7.633 -1.901 18.008 1.000 1 A 93.260 1 ATOM 1209 H HB3 . GLN 70 70 ? A -6.953 -1.187 16.555 1.000 1 A 93.260 1 ATOM 1210 H HG2 . GLN 70 70 ? A -8.568 0.559 16.537 1.000 1 A 93.260 1 ATOM 1211 H HG3 . GLN 70 70 ? A -9.457 -0.873 16.957 1.000 1 A 93.260 1 ATOM 1212 H HE21 . GLN 70 70 ? A -8.612 2.299 17.995 1.000 1 A 93.260 1 ATOM 1213 H HE22 . GLN 70 70 ? A -9.364 2.184 19.596 1.000 1 A 93.260 1 ATOM 1214 N N . GLU 71 71 ? A -4.055 -1.136 17.914 1.000 1 A 89.930 1 ATOM 1215 C CA . GLU 71 71 ? A -2.904 -2.030 18.055 1.000 1 A 89.930 1 ATOM 1216 C C . GLU 71 71 ? A -1.985 -1.582 19.199 1.000 1 A 89.930 1 ATOM 1217 O O . GLU 71 71 ? A -1.527 -0.436 19.226 1.000 1 A 89.930 1 ATOM 1218 C CB . GLU 71 71 ? A -2.123 -2.060 16.742 1.000 1 A 89.930 1 ATOM 1219 C CG . GLU 71 71 ? A -2.793 -2.855 15.624 1.000 1 A 89.930 1 ATOM 1220 C CD . GLU 71 71 ? A -1.812 -3.273 14.518 1.000 1 A 89.930 1 ATOM 1221 O OE1 . GLU 71 71 ? A -2.062 -4.337 13.929 1.000 1 A 89.930 1 ATOM 1222 O OE2 . GLU 71 71 ? A -0.802 -2.606 14.209 1.000 1 A 89.930 1 ATOM 1223 H H . GLU 71 71 ? A -3.984 -0.355 17.277 1.000 1 A 89.930 1 ATOM 1224 H HA . GLU 71 71 ? A -3.245 -3.041 18.278 1.000 1 A 89.930 1 ATOM 1225 H HB2 . GLU 71 71 ? A -2.053 -1.026 16.405 1.000 1 A 89.930 1 ATOM 1226 H HB3 . GLU 71 71 ? A -1.132 -2.472 16.932 1.000 1 A 89.930 1 ATOM 1227 H HG2 . GLU 71 71 ? A -3.604 -2.269 15.192 1.000 1 A 89.930 1 ATOM 1228 H HG3 . GLU 71 71 ? A -3.225 -3.757 16.058 1.000 1 A 89.930 1 ATOM 1229 N N . SER 72 72 ? A -1.635 -2.506 20.101 1.000 1 A 88.030 1 ATOM 1230 C CA . SER 72 72 ? A -0.627 -2.235 21.137 1.000 1 A 88.030 1 ATOM 1231 C C . SER 72 72 ? A 0.777 -2.197 20.530 1.000 1 A 88.030 1 ATOM 1232 O O . SER 72 72 ? A 1.641 -1.435 20.974 1.000 1 A 88.030 1 ATOM 1233 C CB . SER 72 72 ? A -0.665 -3.296 22.241 1.000 1 A 88.030 1 ATOM 1234 O OG . SER 72 72 ? A -1.944 -3.371 22.834 1.000 1 A 88.030 1 ATOM 1235 H H . SER 72 72 ? A -1.953 -3.458 19.992 1.000 1 A 88.030 1 ATOM 1236 H HA . SER 72 72 ? A -0.829 -1.264 21.589 1.000 1 A 88.030 1 ATOM 1237 H HB2 . SER 72 72 ? A -0.393 -4.271 21.836 1.000 1 A 88.030 1 ATOM 1238 H HB3 . SER 72 72 ? A 0.061 -3.029 23.009 1.000 1 A 88.030 1 ATOM 1239 H HG . SER 72 72 ? A -2.494 -3.894 22.246 1.000 1 A 88.030 1 ATOM 1240 N N . TYR 73 73 ? A 1.005 -3.007 19.492 1.000 1 A 85.360 1 ATOM 1241 C CA . TYR 73 73 ? A 2.255 -3.064 18.741 1.000 1 A 85.360 1 ATOM 1242 C C . TYR 73 73 ? A 2.001 -3.130 17.222 1.000 1 A 85.360 1 ATOM 1243 O O . TYR 73 73 ? A 1.202 -3.959 16.789 1.000 1 A 85.360 1 ATOM 1244 C CB . TYR 73 73 ? A 3.049 -4.281 19.221 1.000 1 A 85.360 1 ATOM 1245 C CG . TYR 73 73 ? A 4.444 -4.370 18.640 1.000 1 A 85.360 1 ATOM 1246 C CD1 . TYR 73 73 ? A 4.700 -5.202 17.534 1.000 1 A 85.360 1 ATOM 1247 C CD2 . TYR 73 73 ? A 5.488 -3.628 19.222 1.000 1 A 85.360 1 ATOM 1248 C CE1 . TYR 73 73 ? A 6.011 -5.333 17.041 1.000 1 A 85.360 1 ATOM 1249 C CE2 . TYR 73 73 ? A 6.801 -3.750 18.730 1.000 1 A 85.360 1 ATOM 1250 C CZ . TYR 73 73 ? A 7.067 -4.626 17.654 1.000 1 A 85.360 1 ATOM 1251 O OH . TYR 73 73 ? A 8.331 -4.731 17.166 1.000 1 A 85.360 1 ATOM 1252 H H . TYR 73 73 ? A 0.265 -3.642 19.226 1.000 1 A 85.360 1 ATOM 1253 H HA . TYR 73 73 ? A 2.838 -2.174 18.978 1.000 1 A 85.360 1 ATOM 1254 H HB2 . TYR 73 73 ? A 3.135 -4.237 20.307 1.000 1 A 85.360 1 ATOM 1255 H HB3 . TYR 73 73 ? A 2.497 -5.189 18.978 1.000 1 A 85.360 1 ATOM 1256 H HD1 . TYR 73 73 ? A 3.890 -5.749 17.075 1.000 1 A 85.360 1 ATOM 1257 H HD2 . TYR 73 73 ? A 5.278 -2.988 20.067 1.000 1 A 85.360 1 ATOM 1258 H HE1 . TYR 73 73 ? A 6.213 -5.981 16.201 1.000 1 A 85.360 1 ATOM 1259 H HE2 . TYR 73 73 ? A 7.601 -3.185 19.185 1.000 1 A 85.360 1 ATOM 1260 H HH . TYR 73 73 ? A 8.946 -4.216 17.694 1.000 1 A 85.360 1 ATOM 1261 N N . PRO 74 74 ? A 2.708 -2.331 16.389 1.000 1 A 85.050 1 ATOM 1262 C CA . PRO 74 74 ? A 2.520 -2.352 14.941 1.000 1 A 85.050 1 ATOM 1263 C C . PRO 74 74 ? A 2.686 -3.747 14.336 1.000 1 A 85.050 1 ATOM 1264 O O . PRO 74 74 ? A 3.785 -4.312 14.350 1.000 1 A 85.050 1 ATOM 1265 C CB . PRO 74 74 ? A 3.536 -1.362 14.358 1.000 1 A 85.050 1 ATOM 1266 C CG . PRO 74 74 ? A 3.751 -0.374 15.499 1.000 1 A 85.050 1 ATOM 1267 C CD . PRO 74 74 ? A 3.564 -1.215 16.764 1.000 1 A 85.050 1 ATOM 1268 H HA . PRO 74 74 ? A 1.514 -1.986 14.737 1.000 1 A 85.050 1 ATOM 1269 H HB2 . PRO 74 74 ? A 3.150 -0.869 13.466 1.000 1 A 85.050 1 ATOM 1270 H HB3 . PRO 74 74 ? A 4.480 -1.859 14.132 1.000 1 A 85.050 1 ATOM 1271 H HG2 . PRO 74 74 ? A 2.979 0.394 15.460 1.000 1 A 85.050 1 ATOM 1272 H HG3 . PRO 74 74 ? A 4.742 0.080 15.458 1.000 1 A 85.050 1 ATOM 1273 H HD2 . PRO 74 74 ? A 3.092 -0.605 17.534 1.000 1 A 85.050 1 ATOM 1274 H HD3 . PRO 74 74 ? A 4.522 -1.591 17.124 1.000 1 A 85.050 1 ATOM 1275 N N . GLY 75 75 ? A 1.612 -4.264 13.744 1.000 1 A 85.620 1 ATOM 1276 C CA . GLY 75 75 ? A 1.583 -5.581 13.110 1.000 1 A 85.620 1 ATOM 1277 C C . GLY 75 75 ? A 1.053 -6.720 13.986 1.000 1 A 85.620 1 ATOM 1278 O O . GLY 75 75 ? A 1.089 -7.869 13.549 1.000 1 A 85.620 1 ATOM 1279 H H . GLY 75 75 ? A 0.737 -3.770 13.847 1.000 1 A 85.620 1 ATOM 1280 H HA2 . GLY 75 75 ? A 0.932 -5.498 12.240 1.000 1 A 85.620 1 ATOM 1281 H HA3 . GLY 75 75 ? A 2.582 -5.855 12.771 1.000 1 A 85.620 1 ATOM 1282 N N . GLU 76 76 ? A 0.591 -6.421 15.203 1.000 1 A 87.510 1 ATOM 1283 C CA . GLU 76 76 ? A -0.059 -7.380 16.107 1.000 1 A 87.510 1 ATOM 1284 C C . GLU 76 76 ? A -1.354 -7.940 15.508 1.000 1 A 87.510 1 ATOM 1285 O O . GLU 76 76 ? A -1.590 -9.148 15.551 1.000 1 A 87.510 1 ATOM 1286 C CB . GLU 76 76 ? A -0.351 -6.653 17.430 1.000 1 A 87.510 1 ATOM 1287 C CG . GLU 76 76 ? A -1.071 -7.506 18.485 1.000 1 A 87.510 1 ATOM 1288 C CD . GLU 76 76 ? A -1.420 -6.712 19.756 1.000 1 A 87.510 1 ATOM 1289 O OE1 . GLU 76 76 ? A -1.934 -7.355 20.696 1.000 1 A 87.510 1 ATOM 1290 O OE2 . GLU 76 76 ? A -1.175 -5.477 19.800 1.000 1 A 87.510 1 ATOM 1291 H H . GLU 76 76 ? A 0.623 -5.459 15.508 1.000 1 A 87.510 1 ATOM 1292 H HA . GLU 76 76 ? A 0.608 -8.220 16.301 1.000 1 A 87.510 1 ATOM 1293 H HB2 . GLU 76 76 ? A -0.961 -5.776 17.212 1.000 1 A 87.510 1 ATOM 1294 H HB3 . GLU 76 76 ? A 0.596 -6.320 17.854 1.000 1 A 87.510 1 ATOM 1295 H HG2 . GLU 76 76 ? A -0.431 -8.349 18.744 1.000 1 A 87.510 1 ATOM 1296 H HG3 . GLU 76 76 ? A -1.998 -7.898 18.064 1.000 1 A 87.510 1 ATOM 1297 N N . ILE 77 77 ? A -2.174 -7.065 14.922 1.000 1 A 90.570 1 ATOM 1298 C CA . ILE 77 77 ? A -3.461 -7.421 14.334 1.000 1 A 90.570 1 ATOM 1299 C C . ILE 77 77 ? A -3.327 -7.352 12.816 1.000 1 A 90.570 1 ATOM 1300 O O . ILE 77 77 ? A -3.489 -8.348 12.123 1.000 1 A 90.570 1 ATOM 1301 C CB . ILE 77 77 ? A -4.590 -6.521 14.895 1.000 1 A 90.570 1 ATOM 1302 C CG1 . ILE 77 77 ? A -4.647 -6.596 16.441 1.000 1 A 90.570 1 ATOM 1303 C CG2 . ILE 77 77 ? A -5.942 -6.933 14.282 1.000 1 A 90.570 1 ATOM 1304 C CD1 . ILE 77 77 ? A -5.663 -5.644 17.084 1.000 1 A 90.570 1 ATOM 1305 H H . ILE 77 77 ? A -1.888 -6.098 14.868 1.000 1 A 90.570 1 ATOM 1306 H HA . ILE 77 77 ? A -3.704 -8.453 14.591 1.000 1 A 90.570 1 ATOM 1307 H HB . ILE 77 77 ? A -4.389 -5.488 14.611 1.000 1 A 90.570 1 ATOM 1308 H HG12 . ILE 77 77 ? A -4.873 -7.617 16.749 1.000 1 A 90.570 1 ATOM 1309 H HG13 . ILE 77 77 ? A -3.674 -6.330 16.853 1.000 1 A 90.570 1 ATOM 1310 H HG21 . ILE 77 77 ? A -6.724 -6.238 14.586 1.000 1 A 90.570 1 ATOM 1311 H HG22 . ILE 77 77 ? A -6.210 -7.936 14.615 1.000 1 A 90.570 1 ATOM 1312 H HG23 . ILE 77 77 ? A -5.893 -6.922 13.193 1.000 1 A 90.570 1 ATOM 1313 H HD11 . ILE 77 77 ? A -6.681 -5.956 16.850 1.000 1 A 90.570 1 ATOM 1314 H HD12 . ILE 77 77 ? A -5.498 -4.626 16.731 1.000 1 A 90.570 1 ATOM 1315 H HD13 . ILE 77 77 ? A -5.537 -5.664 18.167 1.000 1 A 90.570 1 ATOM 1316 N N . ILE 78 78 ? A -3.002 -6.191 12.267 1.000 1 A 93.310 1 ATOM 1317 C CA . ILE 78 78 ? A -2.863 -5.902 10.847 1.000 1 A 93.310 1 ATOM 1318 C C . ILE 78 78 ? A -1.627 -6.611 10.309 1.000 1 A 93.310 1 ATOM 1319 O O . ILE 78 78 ? A -0.509 -6.294 10.685 1.000 1 A 93.310 1 ATOM 1320 C CB . ILE 78 78 ? A -2.727 -4.377 10.628 1.000 1 A 93.310 1 ATOM 1321 C CG1 . ILE 78 78 ? A -3.880 -3.566 11.264 1.000 1 A 93.310 1 ATOM 1322 C CG2 . ILE 78 78 ? A -2.650 -4.085 9.116 1.000 1 A 93.310 1 ATOM 1323 C CD1 . ILE 78 78 ? A -3.544 -2.075 11.382 1.000 1 A 93.310 1 ATOM 1324 H H . ILE 78 78 ? A -2.764 -5.449 12.910 1.000 1 A 93.310 1 ATOM 1325 H HA . ILE 78 78 ? A -3.748 -6.266 10.326 1.000 1 A 93.310 1 ATOM 1326 H HB . ILE 78 78 ? A -1.796 -4.052 11.092 1.000 1 A 93.310 1 ATOM 1327 H HG12 . ILE 78 78 ? A -4.077 -3.919 12.276 1.000 1 A 93.310 1 ATOM 1328 H HG13 . ILE 78 78 ? A -4.795 -3.692 10.686 1.000 1 A 93.310 1 ATOM 1329 H HG21 . ILE 78 78 ? A -1.750 -4.527 8.689 1.000 1 A 93.310 1 ATOM 1330 H HG22 . ILE 78 78 ? A -2.610 -3.010 8.945 1.000 1 A 93.310 1 ATOM 1331 H HG23 . ILE 78 78 ? A -3.530 -4.494 8.618 1.000 1 A 93.310 1 ATOM 1332 H HD11 . ILE 78 78 ? A -4.196 -1.624 12.130 1.000 1 A 93.310 1 ATOM 1333 H HD12 . ILE 78 78 ? A -3.681 -1.573 10.424 1.000 1 A 93.310 1 ATOM 1334 H HD13 . ILE 78 78 ? A -2.517 -1.945 11.722 1.000 1 A 93.310 1 ATOM 1335 N N . ASN 79 79 ? A -1.786 -7.496 9.330 1.000 1 A 90.940 1 ATOM 1336 C CA . ASN 79 79 ? A -0.640 -8.088 8.646 1.000 1 A 90.940 1 ATOM 1337 C C . ASN 79 79 ? A -0.103 -7.141 7.545 1.000 1 A 90.940 1 ATOM 1338 O O . ASN 79 79 ? A -0.700 -7.076 6.460 1.000 1 A 90.940 1 ATOM 1339 C CB . ASN 79 79 ? A -1.066 -9.462 8.114 1.000 1 A 90.940 1 ATOM 1340 C CG . ASN 79 79 ? A 0.060 -10.206 7.422 1.000 1 A 90.940 1 ATOM 1341 O OD1 . ASN 79 79 ? A 1.112 -9.685 7.083 1.000 1 A 90.940 1 ATOM 1342 N ND2 . ASN 79 79 ? A -0.139 -11.474 7.156 1.000 1 A 90.940 1 ATOM 1343 H H . ASN 79 79 ? A -2.722 -7.796 9.099 1.000 1 A 90.940 1 ATOM 1344 H HA . ASN 79 79 ? A 0.145 -8.262 9.381 1.000 1 A 90.940 1 ATOM 1345 H HB2 . ASN 79 79 ? A -1.892 -9.343 7.413 1.000 1 A 90.940 1 ATOM 1346 H HB3 . ASN 79 79 ? A -1.414 -10.061 8.955 1.000 1 A 90.940 1 ATOM 1347 H HD21 . ASN 79 79 ? A 0.676 -11.986 6.850 1.000 1 A 90.940 1 ATOM 1348 H HD22 . ASN 79 79 ? A -0.932 -11.932 7.583 1.000 1 A 90.940 1 ATOM 1349 N N . PRO 80 80 ? A 1.049 -6.458 7.735 1.000 1 A 89.680 1 ATOM 1350 C CA . PRO 80 80 ? A 1.578 -5.534 6.730 1.000 1 A 89.680 1 ATOM 1351 C C . PRO 80 80 ? A 2.204 -6.249 5.522 1.000 1 A 89.680 1 ATOM 1352 O O . PRO 80 80 ? A 2.403 -5.640 4.469 1.000 1 A 89.680 1 ATOM 1353 C CB . PRO 80 80 ? A 2.632 -4.724 7.478 1.000 1 A 89.680 1 ATOM 1354 C CG . PRO 80 80 ? A 3.201 -5.723 8.482 1.000 1 A 89.680 1 ATOM 1355 C CD . PRO 80 80 ? A 1.954 -6.504 8.886 1.000 1 A 89.680 1 ATOM 1356 H HA . PRO 80 80 ? A 0.791 -4.869 6.376 1.000 1 A 89.680 1 ATOM 1357 H HB2 . PRO 80 80 ? A 3.394 -4.340 6.799 1.000 1 A 89.680 1 ATOM 1358 H HB3 . PRO 80 80 ? A 2.150 -3.904 8.009 1.000 1 A 89.680 1 ATOM 1359 H HG2 . PRO 80 80 ? A 3.916 -6.383 7.992 1.000 1 A 89.680 1 ATOM 1360 H HG3 . PRO 80 80 ? A 3.658 -5.224 9.337 1.000 1 A 89.680 1 ATOM 1361 H HD2 . PRO 80 80 ? A 1.519 -5.979 9.737 1.000 1 A 89.680 1 ATOM 1362 H HD3 . PRO 80 80 ? A 2.216 -7.526 9.161 1.000 1 A 89.680 1 ATOM 1363 N N . HIS 81 81 ? A 2.523 -7.539 5.659 1.000 1 A 91.170 1 ATOM 1364 C CA . HIS 81 81 ? A 3.149 -8.357 4.621 1.000 1 A 91.170 1 ATOM 1365 C C . HIS 81 81 ? A 2.134 -9.039 3.710 1.000 1 A 91.170 1 ATOM 1366 O O . HIS 81 81 ? A 2.535 -9.729 2.768 1.000 1 A 91.170 1 ATOM 1367 C CB . HIS 81 81 ? A 4.075 -9.390 5.271 1.000 1 A 91.170 1 ATOM 1368 C CG . HIS 81 81 ? A 5.171 -8.751 6.073 1.000 1 A 91.170 1 ATOM 1369 N ND1 . HIS 81 81 ? A 6.174 -7.947 5.576 1.000 1 A 91.170 1 ATOM 1370 C CD2 . HIS 81 81 ? A 5.342 -8.825 7.428 1.000 1 A 91.170 1 ATOM 1371 C CE1 . HIS 81 81 ? A 6.936 -7.554 6.607 1.000 1 A 91.170 1 ATOM 1372 N NE2 . HIS 81 81 ? A 6.464 -8.057 7.753 1.000 1 A 91.170 1 ATOM 1373 H H . HIS 81 81 ? A 2.290 -7.995 6.529 1.000 1 A 91.170 1 ATOM 1374 H HA . HIS 81 81 ? A 3.755 -7.710 3.986 1.000 1 A 91.170 1 ATOM 1375 H HB2 . HIS 81 81 ? A 4.536 -10.002 4.496 1.000 1 A 91.170 1 ATOM 1376 H HB3 . HIS 81 81 ? A 3.493 -10.048 5.917 1.000 1 A 91.170 1 ATOM 1377 H HD1 . HIS 81 81 ? A 6.333 -7.707 4.608 1.000 1 A 91.170 1 ATOM 1378 H HD2 . HIS 81 81 ? A 4.718 -9.366 8.124 1.000 1 A 91.170 1 ATOM 1379 H HE1 . HIS 81 81 ? A 7.812 -6.927 6.530 1.000 1 A 91.170 1 ATOM 1380 N N . ARG 82 82 ? A 0.831 -8.858 3.963 1.000 1 A 93.530 1 ATOM 1381 C CA . ARG 82 82 ? A -0.212 -9.426 3.116 1.000 1 A 93.530 1 ATOM 1382 C C . ARG 82 82 ? A -0.031 -8.957 1.673 1.000 1 A 93.530 1 ATOM 1383 O O . ARG 82 82 ? A 0.280 -7.794 1.406 1.000 1 A 93.530 1 ATOM 1384 C CB . ARG 82 82 ? A -1.605 -9.092 3.680 1.000 1 A 93.530 1 ATOM 1385 C CG . ARG 82 82 ? A -2.754 -9.752 2.896 1.000 1 A 93.530 1 ATOM 1386 C CD . ARG 82 82 ? A -2.726 -11.282 2.995 1.000 1 A 93.530 1 ATOM 1387 N NE . ARG 82 82 ? A -3.629 -11.902 2.016 1.000 1 A 93.530 1 ATOM 1388 C CZ . ARG 82 82 ? A -4.113 -13.126 2.071 1.000 1 A 93.530 1 ATOM 1389 N NH1 . ARG 82 82 ? A -3.823 -13.955 3.038 1.000 1 A 93.530 1 ATOM 1390 N NH2 . ARG 82 82 ? A -4.915 -13.531 1.133 1.000 1 A 93.530 1 ATOM 1391 H H . ARG 82 82 ? A 0.571 -8.299 4.764 1.000 1 A 93.530 1 ATOM 1392 H HA . ARG 82 82 ? A -0.056 -10.504 3.138 1.000 1 A 93.530 1 ATOM 1393 H HB2 . ARG 82 82 ? A -1.658 -9.417 4.719 1.000 1 A 93.530 1 ATOM 1394 H HB3 . ARG 82 82 ? A -1.744 -8.011 3.664 1.000 1 A 93.530 1 ATOM 1395 H HG2 . ARG 82 82 ? A -3.699 -9.398 3.307 1.000 1 A 93.530 1 ATOM 1396 H HG3 . ARG 82 82 ? A -2.715 -9.451 1.849 1.000 1 A 93.530 1 ATOM 1397 H HD2 . ARG 82 82 ? A -3.016 -11.560 4.008 1.000 1 A 93.530 1 ATOM 1398 H HD3 . ARG 82 82 ? A -1.721 -11.658 2.805 1.000 1 A 93.530 1 ATOM 1399 H HE . ARG 82 82 ? A -3.914 -11.339 1.227 1.000 1 A 93.530 1 ATOM 1400 H HH11 . ARG 82 82 ? A -3.247 -13.629 3.802 1.000 1 A 93.530 1 ATOM 1401 H HH12 . ARG 82 82 ? A -4.248 -14.870 3.083 1.000 1 A 93.530 1 ATOM 1402 H HH21 . ARG 82 82 ? A -5.182 -12.849 0.438 1.000 1 A 93.530 1 ATOM 1403 H HH22 . ARG 82 82 ? A -5.351 -14.441 1.189 1.000 1 A 93.530 1 ATOM 1404 N N . ARG 83 83 ? A -0.262 -9.885 0.747 1.000 1 A 95.730 1 ATOM 1405 C CA . ARG 83 83 ? A -0.221 -9.670 -0.697 1.000 1 A 95.730 1 ATOM 1406 C C . ARG 83 83 ? A -1.497 -10.194 -1.336 1.000 1 A 95.730 1 ATOM 1407 O O . ARG 83 83 ? A -2.060 -11.184 -0.866 1.000 1 A 95.730 1 ATOM 1408 C CB . ARG 83 83 ? A 1.005 -10.354 -1.297 1.000 1 A 95.730 1 ATOM 1409 C CG . ARG 83 83 ? A 2.318 -9.752 -0.786 1.000 1 A 95.730 1 ATOM 1410 C CD . ARG 83 83 ? A 3.486 -10.512 -1.403 1.000 1 A 95.730 1 ATOM 1411 N NE . ARG 83 83 ? A 4.773 -10.033 -0.878 1.000 1 A 95.730 1 ATOM 1412 C CZ . ARG 83 83 ? A 5.910 -10.048 -1.543 1.000 1 A 95.730 1 ATOM 1413 N NH1 . ARG 83 83 ? A 6.011 -10.536 -2.741 1.000 1 A 95.730 1 ATOM 1414 N NH2 . ARG 83 83 ? A 6.994 -9.573 -1.023 1.000 1 A 95.730 1 ATOM 1415 H H . ARG 83 83 ? A -0.528 -10.809 1.057 1.000 1 A 95.730 1 ATOM 1416 H HA . ARG 83 83 ? A -0.155 -8.603 -0.911 1.000 1 A 95.730 1 ATOM 1417 H HB2 . ARG 83 83 ? A 0.973 -11.418 -1.065 1.000 1 A 95.730 1 ATOM 1418 H HB3 . ARG 83 83 ? A 0.958 -10.235 -2.380 1.000 1 A 95.730 1 ATOM 1419 H HG2 . ARG 83 83 ? A 2.374 -9.849 0.298 1.000 1 A 95.730 1 ATOM 1420 H HG3 . ARG 83 83 ? A 2.373 -8.698 -1.059 1.000 1 A 95.730 1 ATOM 1421 H HD2 . ARG 83 83 ? A 3.439 -10.382 -2.485 1.000 1 A 95.730 1 ATOM 1422 H HD3 . ARG 83 83 ? A 3.382 -11.572 -1.175 1.000 1 A 95.730 1 ATOM 1423 H HE . ARG 83 83 ? A 4.776 -9.672 0.065 1.000 1 A 95.730 1 ATOM 1424 H HH11 . ARG 83 83 ? A 5.183 -10.914 -3.179 1.000 1 A 95.730 1 ATOM 1425 H HH12 . ARG 83 83 ? A 6.727 -10.149 -3.339 1.000 1 A 95.730 1 ATOM 1426 H HH21 . ARG 83 83 ? A 7.007 -9.224 -0.075 1.000 1 A 95.730 1 ATOM 1427 H HH22 . ARG 83 83 ? A 7.824 -9.585 -1.598 1.000 1 A 95.730 1 ATOM 1428 N N . ASP 84 84 ? A -1.944 -9.515 -2.380 1.000 1 A 96.290 1 ATOM 1429 C CA . ASP 84 84 ? A -3.019 -10.001 -3.237 1.000 1 A 96.290 1 ATOM 1430 C C . ASP 84 84 ? A -2.505 -11.015 -4.278 1.000 1 A 96.290 1 ATOM 1431 O O . ASP 84 84 ? A -1.353 -11.453 -4.233 1.000 1 A 96.290 1 ATOM 1432 C CB . ASP 84 84 ? A -3.747 -8.797 -3.846 1.000 1 A 96.290 1 ATOM 1433 C CG . ASP 84 84 ? A -2.930 -8.001 -4.860 1.000 1 A 96.290 1 ATOM 1434 O OD1 . ASP 84 84 ? A -1.903 -8.488 -5.379 1.000 1 A 96.290 1 ATOM 1435 O OD2 . ASP 84 84 ? A -3.360 -6.860 -5.110 1.000 1 A 96.290 1 ATOM 1436 H H . ASP 84 84 ? A -1.431 -8.702 -2.689 1.000 1 A 96.290 1 ATOM 1437 H HA . ASP 84 84 ? A -3.747 -10.528 -2.620 1.000 1 A 96.290 1 ATOM 1438 H HB2 . ASP 84 84 ? A -4.660 -9.133 -4.337 1.000 1 A 96.290 1 ATOM 1439 H HB3 . ASP 84 84 ? A -4.052 -8.133 -3.036 1.000 1 A 96.290 1 ATOM 1440 N N . LYS 85 85 ? A -3.371 -11.412 -5.214 1.000 1 A 96.130 1 ATOM 1441 C CA . LYS 85 85 ? A -3.053 -12.374 -6.279 1.000 1 A 96.130 1 ATOM 1442 C C . LYS 85 85 ? A -1.944 -11.936 -7.234 1.000 1 A 96.130 1 ATOM 1443 O O . LYS 85 85 ? A -1.297 -12.807 -7.803 1.000 1 A 96.130 1 ATOM 1444 C CB . LYS 85 85 ? A -4.316 -12.661 -7.095 1.000 1 A 96.130 1 ATOM 1445 C CG . LYS 85 85 ? A -5.183 -13.722 -6.415 1.000 1 A 96.130 1 ATOM 1446 C CD . LYS 85 85 ? A -6.401 -14.000 -7.292 1.000 1 A 96.130 1 ATOM 1447 C CE . LYS 85 85 ? A -7.193 -15.162 -6.702 1.000 1 A 96.130 1 ATOM 1448 N NZ . LYS 85 85 ? A -8.460 -15.355 -7.441 1.000 1 A 96.130 1 ATOM 1449 H H . LYS 85 85 ? A -4.305 -11.028 -5.183 1.000 1 A 96.130 1 ATOM 1450 H HA . LYS 85 85 ? A -2.686 -13.297 -5.830 1.000 1 A 96.130 1 ATOM 1451 H HB2 . LYS 85 85 ? A -4.026 -13.040 -8.075 1.000 1 A 96.130 1 ATOM 1452 H HB3 . LYS 85 85 ? A -4.881 -11.741 -7.245 1.000 1 A 96.130 1 ATOM 1453 H HG2 . LYS 85 85 ? A -5.498 -13.393 -5.425 1.000 1 A 96.130 1 ATOM 1454 H HG3 . LYS 85 85 ? A -4.602 -14.638 -6.311 1.000 1 A 96.130 1 ATOM 1455 H HD2 . LYS 85 85 ? A -6.069 -14.266 -8.296 1.000 1 A 96.130 1 ATOM 1456 H HD3 . LYS 85 85 ? A -7.016 -13.102 -7.356 1.000 1 A 96.130 1 ATOM 1457 H HE2 . LYS 85 85 ? A -7.401 -14.954 -5.653 1.000 1 A 96.130 1 ATOM 1458 H HE3 . LYS 85 85 ? A -6.576 -16.058 -6.761 1.000 1 A 96.130 1 ATOM 1459 H HZ1 . LYS 85 85 ? A -9.090 -14.621 -7.148 1.000 1 A 96.130 1 ATOM 1460 H HZ2 . LYS 85 85 ? A -8.882 -16.240 -7.198 1.000 1 A 96.130 1 ATOM 1461 H HZ3 . LYS 85 85 ? A -8.305 -15.304 -8.438 1.000 1 A 96.130 1 ATOM 1462 N N . ASP 86 86 ? A -1.704 -10.637 -7.380 1.000 1 A 96.200 1 ATOM 1463 C CA . ASP 86 86 ? A -0.610 -10.103 -8.199 1.000 1 A 96.200 1 ATOM 1464 C C . ASP 86 86 ? A 0.670 -9.902 -7.366 1.000 1 A 96.200 1 ATOM 1465 O O . ASP 86 86 ? A 1.704 -9.444 -7.860 1.000 1 A 96.200 1 ATOM 1466 C CB . ASP 86 86 ? A -1.069 -8.796 -8.854 1.000 1 A 96.200 1 ATOM 1467 C CG . ASP 86 86 ? A -2.257 -8.973 -9.805 1.000 1 A 96.200 1 ATOM 1468 O OD1 . ASP 86 86 ? A -2.279 -9.978 -10.547 1.000 1 A 96.200 1 ATOM 1469 O OD2 . ASP 86 86 ? A -3.124 -8.070 -9.798 1.000 1 A 96.200 1 ATOM 1470 H H . ASP 86 86 ? A -2.220 -9.975 -6.819 1.000 1 A 96.200 1 ATOM 1471 H HA . ASP 86 86 ? A -0.372 -10.809 -8.995 1.000 1 A 96.200 1 ATOM 1472 H HB2 . ASP 86 86 ? A -1.349 -8.101 -8.062 1.000 1 A 96.200 1 ATOM 1473 H HB3 . ASP 86 86 ? A -0.242 -8.362 -9.416 1.000 1 A 96.200 1 ATOM 1474 N N . GLY 87 87 ? A 0.614 -10.234 -6.074 1.000 1 A 96.340 1 ATOM 1475 C CA . GLY 87 87 ? A 1.697 -10.045 -5.125 1.000 1 A 96.340 1 ATOM 1476 C C . GLY 87 87 ? A 1.762 -8.622 -4.570 1.000 1 A 96.340 1 ATOM 1477 O O . GLY 87 87 ? A 2.719 -8.301 -3.863 1.000 1 A 96.340 1 ATOM 1478 H H . GLY 87 87 ? A -0.261 -10.593 -5.719 1.000 1 A 96.340 1 ATOM 1479 H HA2 . GLY 87 87 ? A 1.561 -10.754 -4.309 1.000 1 A 96.340 1 ATOM 1480 H HA3 . GLY 87 87 ? A 2.646 -10.271 -5.612 1.000 1 A 96.340 1 ATOM 1481 N N . ASN 88 88 ? A 0.795 -7.754 -4.882 1.000 1 A 97.240 1 ATOM 1482 C CA . ASN 88 88 ? A 0.801 -6.371 -4.422 1.000 1 A 97.240 1 ATOM 1483 C C . ASN 88 88 ? A 0.432 -6.309 -2.936 1.000 1 A 97.240 1 ATOM 1484 O O . ASN 88 88 ? A -0.578 -6.853 -2.490 1.000 1 A 97.240 1 ATOM 1485 C CB . ASN 88 88 ? A -0.154 -5.501 -5.252 1.000 1 A 97.240 1 ATOM 1486 C CG . ASN 88 88 ? A 0.224 -5.374 -6.711 1.000 1 A 97.240 1 ATOM 1487 O OD1 . ASN 88 88 ? A 1.336 -5.007 -7.069 1.000 1 A 97.240 1 ATOM 1488 N ND2 . ASN 88 88 ? A -0.706 -5.630 -7.598 1.000 1 A 97.240 1 ATOM 1489 H H . ASN 88 88 ? A -0.033 -8.098 -5.347 1.000 1 A 97.240 1 ATOM 1490 H HA . ASN 88 88 ? A 1.808 -5.974 -4.547 1.000 1 A 97.240 1 ATOM 1491 H HB2 . ASN 88 88 ? A -0.197 -4.497 -4.830 1.000 1 A 97.240 1 ATOM 1492 H HB3 . ASN 88 88 ? A -1.159 -5.917 -5.177 1.000 1 A 97.240 1 ATOM 1493 H HD21 . ASN 88 88 ? A -0.443 -5.755 -8.564 1.000 1 A 97.240 1 ATOM 1494 H HD22 . ASN 88 88 ? A -1.577 -6.025 -7.272 1.000 1 A 97.240 1 ATOM 1495 N N . SER 89 89 ? A 1.253 -5.595 -2.172 1.000 1 A 95.820 1 ATOM 1496 C CA . SER 89 89 ? A 0.943 -5.166 -0.806 1.000 1 A 95.820 1 ATOM 1497 C C . SER 89 89 ? A 0.173 -3.839 -0.791 1.000 1 A 95.820 1 ATOM 1498 O O . SER 89 89 ? A 0.105 -3.134 -1.801 1.000 1 A 95.820 1 ATOM 1499 C CB . SER 89 89 ? A 2.225 -5.066 0.027 1.000 1 A 95.820 1 ATOM 1500 O OG . SER 89 89 ? A 3.014 -3.958 -0.384 1.000 1 A 95.820 1 ATOM 1501 H H . SER 89 89 ? A 2.089 -5.239 -2.613 1.000 1 A 95.820 1 ATOM 1502 H HA . SER 89 89 ? A 0.320 -5.928 -0.339 1.000 1 A 95.820 1 ATOM 1503 H HB2 . SER 89 89 ? A 2.797 -5.988 -0.081 1.000 1 A 95.820 1 ATOM 1504 H HB3 . SER 89 89 ? A 1.963 -4.950 1.078 1.000 1 A 95.820 1 ATOM 1505 H HG . SER 89 89 ? A 3.813 -3.966 0.149 1.000 1 A 95.820 1 ATOM 1506 N N . ALA 90 90 ? A -0.331 -3.434 0.379 1.000 1 A 96.020 1 ATOM 1507 C CA . ALA 90 90 ? A -0.972 -2.127 0.564 1.000 1 A 96.020 1 ATOM 1508 C C . ALA 90 90 ? A -0.097 -0.953 0.072 1.000 1 A 96.020 1 ATOM 1509 O O . ALA 90 90 ? A -0.611 -0.001 -0.516 1.000 1 A 96.020 1 ATOM 1510 C CB . ALA 90 90 ? A -1.317 -1.969 2.050 1.000 1 A 96.020 1 ATOM 1511 H H . ALA 90 90 ? A -0.255 -4.044 1.180 1.000 1 A 96.020 1 ATOM 1512 H HA . ALA 90 90 ? A -1.899 -2.107 -0.010 1.000 1 A 96.020 1 ATOM 1513 H HB1 . ALA 90 90 ? A -1.989 -2.766 2.370 1.000 1 A 96.020 1 ATOM 1514 H HB2 . ALA 90 90 ? A -0.412 -1.998 2.656 1.000 1 A 96.020 1 ATOM 1515 H HB3 . ALA 90 90 ? A -1.814 -1.012 2.209 1.000 1 A 96.020 1 ATOM 1516 N N . LEU 91 91 ? A 1.231 -1.046 0.231 1.000 1 A 96.630 1 ATOM 1517 C CA . LEU 91 91 ? A 2.158 -0.009 -0.224 1.000 1 A 96.630 1 ATOM 1518 C C . LEU 91 91 ? A 2.205 0.154 -1.743 1.000 1 A 96.630 1 ATOM 1519 O O . LEU 91 91 ? A 2.405 1.270 -2.207 1.000 1 A 96.630 1 ATOM 1520 C CB . LEU 91 91 ? A 3.579 -0.290 0.271 1.000 1 A 96.630 1 ATOM 1521 C CG . LEU 91 91 ? A 3.805 -0.209 1.787 1.000 1 A 96.630 1 ATOM 1522 C CD1 . LEU 91 91 ? A 5.314 -0.217 1.989 1.000 1 A 96.630 1 ATOM 1523 C CD2 . LEU 91 91 ? A 3.259 1.061 2.438 1.000 1 A 96.630 1 ATOM 1524 H H . LEU 91 91 ? A 1.605 -1.865 0.690 1.000 1 A 96.630 1 ATOM 1525 H HA . LEU 91 91 ? A 1.835 0.952 0.175 1.000 1 A 96.630 1 ATOM 1526 H HB2 . LEU 91 91 ? A 4.222 0.451 -0.204 1.000 1 A 96.630 1 ATOM 1527 H HB3 . LEU 91 91 ? A 3.897 -1.271 -0.080 1.000 1 A 96.630 1 ATOM 1528 H HG . LEU 91 91 ? A 3.362 -1.076 2.276 1.000 1 A 96.630 1 ATOM 1529 H HD11 . LEU 91 91 ? A 5.548 0.084 3.010 1.000 1 A 96.630 1 ATOM 1530 H HD12 . LEU 91 91 ? A 5.802 0.504 1.334 1.000 1 A 96.630 1 ATOM 1531 H HD13 . LEU 91 91 ? A 5.710 -1.212 1.785 1.000 1 A 96.630 1 ATOM 1532 H HD21 . LEU 91 91 ? A 2.173 1.100 2.357 1.000 1 A 96.630 1 ATOM 1533 H HD22 . LEU 91 91 ? A 3.515 1.072 3.497 1.000 1 A 96.630 1 ATOM 1534 H HD23 . LEU 91 91 ? A 3.711 1.934 1.967 1.000 1 A 96.630 1 ATOM 1535 N N . HIS 92 92 ? A 2.000 -0.912 -2.523 1.000 1 A 97.590 1 ATOM 1536 C CA . HIS 92 92 ? A 1.960 -0.801 -3.985 1.000 1 A 97.590 1 ATOM 1537 C C . HIS 92 92 ? A 0.796 0.091 -4.417 1.000 1 A 97.590 1 ATOM 1538 O O . HIS 92 92 ? A 0.958 0.967 -5.261 1.000 1 A 97.590 1 ATOM 1539 C CB . HIS 92 92 ? A 1.811 -2.185 -4.621 1.000 1 A 97.590 1 ATOM 1540 C CG . HIS 92 92 ? A 3.010 -3.067 -4.431 1.000 1 A 97.590 1 ATOM 1541 N ND1 . HIS 92 92 ? A 3.353 -3.744 -3.282 1.000 1 A 97.590 1 ATOM 1542 C CD2 . HIS 92 92 ? A 3.955 -3.364 -5.373 1.000 1 A 97.590 1 ATOM 1543 C CE1 . HIS 92 92 ? A 4.457 -4.460 -3.537 1.000 1 A 97.590 1 ATOM 1544 N NE2 . HIS 92 92 ? A 4.869 -4.237 -4.788 1.000 1 A 97.590 1 ATOM 1545 H H . HIS 92 92 ? A 1.740 -1.790 -2.096 1.000 1 A 97.590 1 ATOM 1546 H HA . HIS 92 92 ? A 2.882 -0.343 -4.343 1.000 1 A 97.590 1 ATOM 1547 H HB2 . HIS 92 92 ? A 1.643 -2.064 -5.692 1.000 1 A 97.590 1 ATOM 1548 H HB3 . HIS 92 92 ? A 0.933 -2.680 -4.206 1.000 1 A 97.590 1 ATOM 1549 H HD1 . HIS 92 92 ? A 2.929 -3.652 -2.370 1.000 1 A 97.590 1 ATOM 1550 H HD2 . HIS 92 92 ? A 3.983 -3.008 -6.393 1.000 1 A 97.590 1 ATOM 1551 H HE1 . HIS 92 92 ? A 4.961 -5.100 -2.828 1.000 1 A 97.590 1 ATOM 1552 N N . TYR 93 93 ? A -0.361 -0.086 -3.778 1.000 1 A 97.060 1 ATOM 1553 C CA . TYR 93 93 ? A -1.542 0.727 -4.035 1.000 1 A 97.060 1 ATOM 1554 C C . TYR 93 93 ? A -1.384 2.162 -3.543 1.000 1 A 97.060 1 ATOM 1555 O O . TYR 93 93 ? A -1.752 3.094 -4.258 1.000 1 A 97.060 1 ATOM 1556 C CB . TYR 93 93 ? A -2.750 0.063 -3.375 1.000 1 A 97.060 1 ATOM 1557 C CG . TYR 93 93 ? A -3.131 -1.237 -4.043 1.000 1 A 97.060 1 ATOM 1558 C CD1 . TYR 93 93 ? A -3.744 -1.184 -5.306 1.000 1 A 97.060 1 ATOM 1559 C CD2 . TYR 93 93 ? A -2.854 -2.481 -3.437 1.000 1 A 97.060 1 ATOM 1560 C CE1 . TYR 93 93 ? A -4.104 -2.370 -5.959 1.000 1 A 97.060 1 ATOM 1561 C CE2 . TYR 93 93 ? A -3.207 -3.677 -4.097 1.000 1 A 97.060 1 ATOM 1562 C CZ . TYR 93 93 ? A -3.842 -3.613 -5.359 1.000 1 A 97.060 1 ATOM 1563 O OH . TYR 93 93 ? A -4.223 -4.711 -6.046 1.000 1 A 97.060 1 ATOM 1564 H H . TYR 93 93 ? A -0.425 -0.829 -3.098 1.000 1 A 97.060 1 ATOM 1565 H HA . TYR 93 93 ? A -1.709 0.771 -5.111 1.000 1 A 97.060 1 ATOM 1566 H HB2 . TYR 93 93 ? A -3.596 0.746 -3.442 1.000 1 A 97.060 1 ATOM 1567 H HB3 . TYR 93 93 ? A -2.551 -0.110 -2.317 1.000 1 A 97.060 1 ATOM 1568 H HD1 . TYR 93 93 ? A -3.930 -0.234 -5.786 1.000 1 A 97.060 1 ATOM 1569 H HD2 . TYR 93 93 ? A -2.366 -2.528 -2.475 1.000 1 A 97.060 1 ATOM 1570 H HE1 . TYR 93 93 ? A -4.571 -2.355 -6.932 1.000 1 A 97.060 1 ATOM 1571 H HE2 . TYR 93 93 ? A -3.002 -4.640 -3.654 1.000 1 A 97.060 1 ATOM 1572 H HH . TYR 93 93 ? A -3.914 -5.531 -5.653 1.000 1 A 97.060 1 ATOM 1573 N N . LEU 94 94 ? A -0.832 2.351 -2.341 1.000 1 A 97.160 1 ATOM 1574 C CA . LEU 94 94 ? A -0.586 3.676 -1.769 1.000 1 A 97.160 1 ATOM 1575 C C . LEU 94 94 ? A 0.440 4.467 -2.582 1.000 1 A 97.160 1 ATOM 1576 O O . LEU 94 94 ? A 0.247 5.660 -2.796 1.000 1 A 97.160 1 ATOM 1577 C CB . LEU 94 94 ? A -0.136 3.525 -0.310 1.000 1 A 97.160 1 ATOM 1578 C CG . LEU 94 94 ? A -1.267 3.112 0.640 1.000 1 A 97.160 1 ATOM 1579 C CD1 . LEU 94 94 ? A -0.683 2.723 1.992 1.000 1 A 97.160 1 ATOM 1580 C CD2 . LEU 94 94 ? A -2.272 4.245 0.850 1.000 1 A 97.160 1 ATOM 1581 H H . LEU 94 94 ? A -0.585 1.537 -1.796 1.000 1 A 97.160 1 ATOM 1582 H HA . LEU 94 94 ? A -1.510 4.253 -1.797 1.000 1 A 97.160 1 ATOM 1583 H HB2 . LEU 94 94 ? A 0.663 2.785 -0.268 1.000 1 A 97.160 1 ATOM 1584 H HB3 . LEU 94 94 ? A 0.266 4.476 0.038 1.000 1 A 97.160 1 ATOM 1585 H HG . LEU 94 94 ? A -1.792 2.249 0.231 1.000 1 A 97.160 1 ATOM 1586 H HD11 . LEU 94 94 ? A -1.484 2.351 2.631 1.000 1 A 97.160 1 ATOM 1587 H HD12 . LEU 94 94 ? A -0.212 3.582 2.470 1.000 1 A 97.160 1 ATOM 1588 H HD13 . LEU 94 94 ? A 0.048 1.925 1.866 1.000 1 A 97.160 1 ATOM 1589 H HD21 . LEU 94 94 ? A -2.988 3.959 1.620 1.000 1 A 97.160 1 ATOM 1590 H HD22 . LEU 94 94 ? A -2.824 4.444 -0.069 1.000 1 A 97.160 1 ATOM 1591 H HD23 . LEU 94 94 ? A -1.749 5.147 1.167 1.000 1 A 97.160 1 ATOM 1592 N N . ALA 95 95 ? A 1.467 3.804 -3.113 1.000 1 A 96.840 1 ATOM 1593 C CA . ALA 95 95 ? A 2.476 4.421 -3.962 1.000 1 A 96.840 1 ATOM 1594 C C . ALA 95 95 ? A 1.894 5.057 -5.233 1.000 1 A 96.840 1 ATOM 1595 O O . ALA 95 95 ? A 2.406 6.075 -5.691 1.000 1 A 96.840 1 ATOM 1596 C CB . ALA 95 95 ? A 3.503 3.354 -4.323 1.000 1 A 96.840 1 ATOM 1597 H H . ALA 95 95 ? A 1.591 2.829 -2.880 1.000 1 A 96.840 1 ATOM 1598 H HA . ALA 95 95 ? A 2.979 5.206 -3.398 1.000 1 A 96.840 1 ATOM 1599 H HB1 . ALA 95 95 ? A 4.258 3.804 -4.968 1.000 1 A 96.840 1 ATOM 1600 H HB2 . ALA 95 95 ? A 3.983 2.974 -3.422 1.000 1 A 96.840 1 ATOM 1601 H HB3 . ALA 95 95 ? A 3.027 2.530 -4.856 1.000 1 A 96.840 1 ATOM 1602 N N . GLU 96 96 ? A 0.797 4.524 -5.778 1.000 1 A 96.070 1 ATOM 1603 C CA . GLU 96 96 ? A 0.124 5.094 -6.953 1.000 1 A 96.070 1 ATOM 1604 C C . GLU 96 96 ? A -0.762 6.317 -6.615 1.000 1 A 96.070 1 ATOM 1605 O O . GLU 96 96 ? A -1.127 7.104 -7.505 1.000 1 A 96.070 1 ATOM 1606 C CB . GLU 96 96 ? A -0.686 3.990 -7.671 1.000 1 A 96.070 1 ATOM 1607 C CG . GLU 96 96 ? A 0.212 2.875 -8.250 1.000 1 A 96.070 1 ATOM 1608 C CD . GLU 96 96 ? A -0.493 1.922 -9.237 1.000 1 A 96.070 1 ATOM 1609 O OE1 . GLU 96 96 ? A -0.233 0.692 -9.190 1.000 1 A 96.070 1 ATOM 1610 O OE2 . GLU 96 96 ? A -1.226 2.427 -10.130 1.000 1 A 96.070 1 ATOM 1611 H H . GLU 96 96 ? A 0.442 3.664 -5.386 1.000 1 A 96.070 1 ATOM 1612 H HA . GLU 96 96 ? A 0.889 5.448 -7.644 1.000 1 A 96.070 1 ATOM 1613 H HB2 . GLU 96 96 ? A -1.404 3.551 -6.979 1.000 1 A 96.070 1 ATOM 1614 H HB3 . GLU 96 96 ? A -1.249 4.453 -8.481 1.000 1 A 96.070 1 ATOM 1615 H HG2 . GLU 96 96 ? A 1.052 3.338 -8.769 1.000 1 A 96.070 1 ATOM 1616 H HG3 . GLU 96 96 ? A 0.613 2.297 -7.417 1.000 1 A 96.070 1 ATOM 1617 N N . LYS 97 97 ? A -1.121 6.512 -5.336 1.000 1 A 94.870 1 ATOM 1618 C CA . LYS 97 97 ? A -2.033 7.581 -4.896 1.000 1 A 94.870 1 ATOM 1619 C C . LYS 97 97 ? A -1.383 8.958 -4.968 1.000 1 A 94.870 1 ATOM 1620 O O . LYS 97 97 ? A -0.187 9.112 -4.782 1.000 1 A 94.870 1 ATOM 1621 C CB . LYS 97 97 ? A -2.547 7.328 -3.465 1.000 1 A 94.870 1 ATOM 1622 C CG . LYS 97 97 ? A -3.361 6.041 -3.293 1.000 1 A 94.870 1 ATOM 1623 C CD . LYS 97 97 ? A -4.590 5.992 -4.207 1.000 1 A 94.870 1 ATOM 1624 C CE . LYS 97 97 ? A -5.424 4.763 -3.862 1.000 1 A 94.870 1 ATOM 1625 N NZ . LYS 97 97 ? A -6.674 4.722 -4.655 1.000 1 A 94.870 1 ATOM 1626 H H . LYS 97 97 ? A -0.699 5.922 -4.634 1.000 1 A 94.870 1 ATOM 1627 H HA . LYS 97 97 ? A -2.877 7.600 -5.585 1.000 1 A 94.870 1 ATOM 1628 H HB2 . LYS 97 97 ? A -3.176 8.165 -3.162 1.000 1 A 94.870 1 ATOM 1629 H HB3 . LYS 97 97 ? A -1.701 7.304 -2.778 1.000 1 A 94.870 1 ATOM 1630 H HG2 . LYS 97 97 ? A -2.722 5.184 -3.501 1.000 1 A 94.870 1 ATOM 1631 H HG3 . LYS 97 97 ? A -3.684 5.980 -2.254 1.000 1 A 94.870 1 ATOM 1632 H HD2 . LYS 97 97 ? A -5.186 6.893 -4.055 1.000 1 A 94.870 1 ATOM 1633 H HD3 . LYS 97 97 ? A -4.274 5.924 -5.247 1.000 1 A 94.870 1 ATOM 1634 H HE2 . LYS 97 97 ? A -4.828 3.866 -4.026 1.000 1 A 94.870 1 ATOM 1635 H HE3 . LYS 97 97 ? A -5.670 4.803 -2.800 1.000 1 A 94.870 1 ATOM 1636 H HZ1 . LYS 97 97 ? A -7.298 4.072 -4.199 1.000 1 A 94.870 1 ATOM 1637 H HZ2 . LYS 97 97 ? A -7.145 5.615 -4.618 1.000 1 A 94.870 1 ATOM 1638 H HZ3 . LYS 97 97 ? A -6.504 4.434 -5.608 1.000 1 A 94.870 1 ATOM 1639 N N . LYS 98 98 ? A -2.206 9.987 -5.192 1.000 1 A 91.670 1 ATOM 1640 C CA . LYS 98 98 ? A -1.769 11.393 -5.132 1.000 1 A 91.670 1 ATOM 1641 C C . LYS 98 98 ? A -1.430 11.846 -3.706 1.000 1 A 91.670 1 ATOM 1642 O O . LYS 98 98 ? A -0.561 12.688 -3.527 1.000 1 A 91.670 1 ATOM 1643 C CB . LYS 98 98 ? A -2.848 12.312 -5.735 1.000 1 A 91.670 1 ATOM 1644 C CG . LYS 98 98 ? A -2.921 12.200 -7.263 1.000 1 A 91.670 1 ATOM 1645 C CD . LYS 98 98 ? A -3.923 13.186 -7.879 1.000 1 A 91.670 1 ATOM 1646 C CE . LYS 98 98 ? A -3.896 13.111 -9.415 1.000 1 A 91.670 1 ATOM 1647 N NZ . LYS 98 98 ? A -4.716 14.184 -10.042 1.000 1 A 91.670 1 ATOM 1648 H H . LYS 98 98 ? A -3.184 9.787 -5.346 1.000 1 A 91.670 1 ATOM 1649 H HA . LYS 98 98 ? A -0.842 11.516 -5.693 1.000 1 A 91.670 1 ATOM 1650 H HB2 . LYS 98 98 ? A -2.601 13.343 -5.484 1.000 1 A 91.670 1 ATOM 1651 H HB3 . LYS 98 98 ? A -3.819 12.081 -5.297 1.000 1 A 91.670 1 ATOM 1652 H HG2 . LYS 98 98 ? A -1.932 12.447 -7.650 1.000 1 A 91.670 1 ATOM 1653 H HG3 . LYS 98 98 ? A -3.189 11.182 -7.547 1.000 1 A 91.670 1 ATOM 1654 H HD2 . LYS 98 98 ? A -3.654 14.195 -7.565 1.000 1 A 91.670 1 ATOM 1655 H HD3 . LYS 98 98 ? A -4.926 12.962 -7.516 1.000 1 A 91.670 1 ATOM 1656 H HE2 . LYS 98 98 ? A -2.861 13.216 -9.741 1.000 1 A 91.670 1 ATOM 1657 H HE3 . LYS 98 98 ? A -4.255 12.130 -9.727 1.000 1 A 91.670 1 ATOM 1658 H HZ1 . LYS 98 98 ? A -4.674 14.140 -11.050 1.000 1 A 91.670 1 ATOM 1659 H HZ2 . LYS 98 98 ? A -4.373 15.096 -9.777 1.000 1 A 91.670 1 ATOM 1660 H HZ3 . LYS 98 98 ? A -5.685 14.128 -9.763 1.000 1 A 91.670 1 ATOM 1661 N N . ASN 99 99 ? A -2.132 11.308 -2.709 1.000 1 A 92.030 1 ATOM 1662 C CA . ASN 99 99 ? A -1.967 11.705 -1.316 1.000 1 A 92.030 1 ATOM 1663 C C . ASN 99 99 ? A -0.833 10.911 -0.646 1.000 1 A 92.030 1 ATOM 1664 O O . ASN 99 99 ? A -1.043 9.777 -0.212 1.000 1 A 92.030 1 ATOM 1665 C CB . ASN 99 99 ? A -3.320 11.575 -0.590 1.000 1 A 92.030 1 ATOM 1666 C CG . ASN 99 99 ? A -3.255 12.151 0.814 1.000 1 A 92.030 1 ATOM 1667 O OD1 . ASN 99 99 ? A -2.212 12.544 1.300 1.000 1 A 92.030 1 ATOM 1668 N ND2 . ASN 99 99 ? A -4.364 12.229 1.509 1.000 1 A 92.030 1 ATOM 1669 H H . ASN 99 99 ? A -2.794 10.574 -2.915 1.000 1 A 92.030 1 ATOM 1670 H HA . ASN 99 99 ? A -1.686 12.758 -1.280 1.000 1 A 92.030 1 ATOM 1671 H HB2 . ASN 99 99 ? A -4.084 12.122 -1.141 1.000 1 A 92.030 1 ATOM 1672 H HB3 . ASN 99 99 ? A -3.607 10.526 -0.520 1.000 1 A 92.030 1 ATOM 1673 H HD21 . ASN 99 99 ? A -5.252 11.921 1.138 1.000 1 A 92.030 1 ATOM 1674 H HD22 . ASN 99 99 ? A -4.282 12.648 2.424 1.000 1 A 92.030 1 ATOM 1675 N N . HIS 100 100 ? A 0.343 11.532 -0.554 1.000 1 A 92.380 1 ATOM 1676 C CA . HIS 100 100 ? A 1.531 10.969 0.091 1.000 1 A 92.380 1 ATOM 1677 C C . HIS 100 100 ? A 1.361 10.777 1.602 1.000 1 A 92.380 1 ATOM 1678 O O . HIS 100 100 ? A 1.925 9.837 2.150 1.000 1 A 92.380 1 ATOM 1679 C CB . HIS 100 100 ? A 2.751 11.855 -0.222 1.000 1 A 92.380 1 ATOM 1680 C CG . HIS 100 100 ? A 2.626 13.270 0.275 1.000 1 A 92.380 1 ATOM 1681 N ND1 . HIS 100 100 ? A 1.912 14.281 -0.334 1.000 1 A 92.380 1 ATOM 1682 C CD2 . HIS 100 100 ? A 3.190 13.792 1.410 1.000 1 A 92.380 1 ATOM 1683 C CE1 . HIS 100 100 ? A 2.031 15.382 0.424 1.000 1 A 92.380 1 ATOM 1684 N NE2 . HIS 100 100 ? A 2.793 15.130 1.492 1.000 1 A 92.380 1 ATOM 1685 H H . HIS 100 100 ? A 0.440 12.454 -0.955 1.000 1 A 92.380 1 ATOM 1686 H HA . HIS 100 100 ? A 1.715 9.978 -0.323 1.000 1 A 92.380 1 ATOM 1687 H HB2 . HIS 100 100 ? A 3.639 11.402 0.220 1.000 1 A 92.380 1 ATOM 1688 H HB3 . HIS 100 100 ? A 2.906 11.896 -1.300 1.000 1 A 92.380 1 ATOM 1689 H HD1 . HIS 100 100 ? A 1.521 14.263 -1.266 1.000 1 A 92.380 1 ATOM 1690 H HD2 . HIS 100 100 ? A 3.815 13.270 2.120 1.000 1 A 92.380 1 ATOM 1691 H HE1 . HIS 100 100 ? A 1.625 16.355 0.187 1.000 1 A 92.380 1 ATOM 1692 N N . LEU 101 101 ? A 0.518 11.573 2.270 1.000 1 A 94.380 1 ATOM 1693 C CA . LEU 101 101 ? A 0.337 11.508 3.726 1.000 1 A 94.380 1 ATOM 1694 C C . LEU 101 101 ? A -0.191 10.148 4.197 1.000 1 A 94.380 1 ATOM 1695 O O . LEU 101 101 ? A 0.147 9.691 5.283 1.000 1 A 94.380 1 ATOM 1696 C CB . LEU 101 101 ? A -0.632 12.613 4.186 1.000 1 A 94.380 1 ATOM 1697 C CG . LEU 101 101 ? A -0.197 14.049 3.850 1.000 1 A 94.380 1 ATOM 1698 C CD1 . LEU 101 101 ? A -1.313 15.017 4.246 1.000 1 A 94.380 1 ATOM 1699 C CD2 . LEU 101 101 ? A 1.078 14.440 4.595 1.000 1 A 94.380 1 ATOM 1700 H H . LEU 101 101 ? A 0.050 12.315 1.769 1.000 1 A 94.380 1 ATOM 1701 H HA . LEU 101 101 ? A 1.303 11.661 4.208 1.000 1 A 94.380 1 ATOM 1702 H HB2 . LEU 101 101 ? A -1.612 12.425 3.748 1.000 1 A 94.380 1 ATOM 1703 H HB3 . LEU 101 101 ? A -0.744 12.536 5.267 1.000 1 A 94.380 1 ATOM 1704 H HG . LEU 101 101 ? A -0.030 14.144 2.777 1.000 1 A 94.380 1 ATOM 1705 H HD11 . LEU 101 101 ? A -2.222 14.779 3.694 1.000 1 A 94.380 1 ATOM 1706 H HD12 . LEU 101 101 ? A -1.011 16.035 4.000 1.000 1 A 94.380 1 ATOM 1707 H HD13 . LEU 101 101 ? A -1.502 14.952 5.318 1.000 1 A 94.380 1 ATOM 1708 H HD21 . LEU 101 101 ? A 1.338 15.472 4.361 1.000 1 A 94.380 1 ATOM 1709 H HD22 . LEU 101 101 ? A 1.913 13.817 4.276 1.000 1 A 94.380 1 ATOM 1710 H HD23 . LEU 101 101 ? A 0.943 14.336 5.672 1.000 1 A 94.380 1 ATOM 1711 N N . ILE 102 102 ? A -1.004 9.476 3.377 1.000 1 A 95.770 1 ATOM 1712 C CA . ILE 102 102 ? A -1.529 8.142 3.708 1.000 1 A 95.770 1 ATOM 1713 C C . ILE 102 102 ? A -0.404 7.108 3.657 1.000 1 A 95.770 1 ATOM 1714 O O . ILE 102 102 ? A -0.266 6.285 4.560 1.000 1 A 95.770 1 ATOM 1715 C CB . ILE 102 102 ? A -2.685 7.737 2.767 1.000 1 A 95.770 1 ATOM 1716 C CG1 . ILE 102 102 ? A -3.703 8.890 2.647 1.000 1 A 95.770 1 ATOM 1717 C CG2 . ILE 102 102 ? A -3.349 6.452 3.289 1.000 1 A 95.770 1 ATOM 1718 C CD1 . ILE 102 102 ? A -5.008 8.539 1.934 1.000 1 A 95.770 1 ATOM 1719 H H . ILE 102 102 ? A -1.219 9.894 2.483 1.000 1 A 95.770 1 ATOM 1720 H HA . ILE 102 102 ? A -1.906 8.163 4.730 1.000 1 A 95.770 1 ATOM 1721 H HB . ILE 102 102 ? A -2.282 7.537 1.774 1.000 1 A 95.770 1 ATOM 1722 H HG12 . ILE 102 102 ? A -3.236 9.697 2.083 1.000 1 A 95.770 1 ATOM 1723 H HG13 . ILE 102 102 ? A -3.938 9.268 3.642 1.000 1 A 95.770 1 ATOM 1724 H HG21 . ILE 102 102 ? A -2.613 5.668 3.470 1.000 1 A 95.770 1 ATOM 1725 H HG22 . ILE 102 102 ? A -4.072 6.071 2.567 1.000 1 A 95.770 1 ATOM 1726 H HG23 . ILE 102 102 ? A -3.858 6.672 4.227 1.000 1 A 95.770 1 ATOM 1727 H HD11 . ILE 102 102 ? A -5.604 7.895 2.581 1.000 1 A 95.770 1 ATOM 1728 H HD12 . ILE 102 102 ? A -5.576 9.451 1.745 1.000 1 A 95.770 1 ATOM 1729 H HD13 . ILE 102 102 ? A -4.798 8.041 0.987 1.000 1 A 95.770 1 ATOM 1730 N N . LEU 103 103 ? A 0.420 7.177 2.610 1.000 1 A 96.140 1 ATOM 1731 C CA . LEU 103 103 ? A 1.591 6.324 2.460 1.000 1 A 96.140 1 ATOM 1732 C C . LEU 103 103 ? A 2.580 6.552 3.608 1.000 1 A 96.140 1 ATOM 1733 O O . LEU 103 103 ? A 3.041 5.589 4.212 1.000 1 A 96.140 1 ATOM 1734 C CB . LEU 103 103 ? A 2.215 6.612 1.086 1.000 1 A 96.140 1 ATOM 1735 C CG . LEU 103 103 ? A 3.495 5.818 0.796 1.000 1 A 96.140 1 ATOM 1736 C CD1 . LEU 103 103 ? A 3.256 4.315 0.693 1.000 1 A 96.140 1 ATOM 1737 C CD2 . LEU 103 103 ? A 4.052 6.301 -0.533 1.000 1 A 96.140 1 ATOM 1738 H H . LEU 103 103 ? A 0.318 7.953 1.973 1.000 1 A 96.140 1 ATOM 1739 H HA . LEU 103 103 ? A 1.272 5.282 2.507 1.000 1 A 96.140 1 ATOM 1740 H HB2 . LEU 103 103 ? A 2.466 7.671 1.030 1.000 1 A 96.140 1 ATOM 1741 H HB3 . LEU 103 103 ? A 1.480 6.408 0.308 1.000 1 A 96.140 1 ATOM 1742 H HG . LEU 103 103 ? A 4.235 6.014 1.572 1.000 1 A 96.140 1 ATOM 1743 H HD11 . LEU 103 103 ? A 2.646 4.090 -0.181 1.000 1 A 96.140 1 ATOM 1744 H HD12 . LEU 103 103 ? A 4.218 3.812 0.594 1.000 1 A 96.140 1 ATOM 1745 H HD13 . LEU 103 103 ? A 2.769 3.955 1.599 1.000 1 A 96.140 1 ATOM 1746 H HD21 . LEU 103 103 ? A 3.279 6.247 -1.300 1.000 1 A 96.140 1 ATOM 1747 H HD22 . LEU 103 103 ? A 4.902 5.690 -0.835 1.000 1 A 96.140 1 ATOM 1748 H HD23 . LEU 103 103 ? A 4.380 7.334 -0.417 1.000 1 A 96.140 1 ATOM 1749 N N . GLU 104 104 ? A 2.863 7.810 3.942 1.000 1 A 93.810 1 ATOM 1750 C CA . GLU 104 104 ? A 3.740 8.181 5.053 1.000 1 A 93.810 1 ATOM 1751 C C . GLU 104 104 ? A 3.191 7.765 6.411 1.000 1 A 93.810 1 ATOM 1752 O O . GLU 104 104 ? A 3.961 7.305 7.247 1.000 1 A 93.810 1 ATOM 1753 C CB . GLU 104 104 ? A 3.973 9.692 5.064 1.000 1 A 93.810 1 ATOM 1754 C CG . GLU 104 104 ? A 4.882 10.100 3.906 1.000 1 A 93.810 1 ATOM 1755 C CD . GLU 104 104 ? A 5.351 11.550 4.010 1.000 1 A 93.810 1 ATOM 1756 O OE1 . GLU 104 104 ? A 6.425 11.810 3.419 1.000 1 A 93.810 1 ATOM 1757 O OE2 . GLU 104 104 ? A 4.689 12.354 4.697 1.000 1 A 93.810 1 ATOM 1758 H H . GLU 104 104 ? A 2.473 8.558 3.385 1.000 1 A 93.810 1 ATOM 1759 H HA . GLU 104 104 ? A 4.701 7.681 4.935 1.000 1 A 93.810 1 ATOM 1760 H HB2 . GLU 104 104 ? A 4.467 9.959 5.998 1.000 1 A 93.810 1 ATOM 1761 H HB3 . GLU 104 104 ? A 3.021 10.218 5.004 1.000 1 A 93.810 1 ATOM 1762 H HG2 . GLU 104 104 ? A 4.375 9.943 2.954 1.000 1 A 93.810 1 ATOM 1763 H HG3 . GLU 104 104 ? A 5.757 9.451 3.933 1.000 1 A 93.810 1 ATOM 1764 N N . GLY 105 105 ? A 1.879 7.868 6.630 1.000 1 A 93.880 1 ATOM 1765 C CA . GLY 105 105 ? A 1.238 7.381 7.848 1.000 1 A 93.880 1 ATOM 1766 C C . GLY 105 105 ? A 1.446 5.878 8.029 1.000 1 A 93.880 1 ATOM 1767 O O . GLY 105 105 ? A 1.875 5.441 9.092 1.000 1 A 93.880 1 ATOM 1768 H H . GLY 105 105 ? A 1.308 8.333 5.939 1.000 1 A 93.880 1 ATOM 1769 H HA2 . GLY 105 105 ? A 1.653 7.899 8.712 1.000 1 A 93.880 1 ATOM 1770 H HA3 . GLY 105 105 ? A 0.168 7.580 7.792 1.000 1 A 93.880 1 ATOM 1771 N N . VAL 106 106 ? A 1.228 5.091 6.971 1.000 1 A 95.040 1 ATOM 1772 C CA . VAL 106 106 ? A 1.420 3.630 6.992 1.000 1 A 95.040 1 ATOM 1773 C C . VAL 106 106 ? A 2.901 3.258 7.147 1.000 1 A 95.040 1 ATOM 1774 O O . VAL 106 106 ? A 3.240 2.414 7.976 1.000 1 A 95.040 1 ATOM 1775 C CB . VAL 106 106 ? A 0.802 3.001 5.727 1.000 1 A 95.040 1 ATOM 1776 C CG1 . VAL 106 106 ? A 1.074 1.497 5.624 1.000 1 A 95.040 1 ATOM 1777 C CG2 . VAL 106 106 ? A -0.724 3.178 5.711 1.000 1 A 95.040 1 ATOM 1778 H H . VAL 106 106 ? A 0.896 5.523 6.121 1.000 1 A 95.040 1 ATOM 1779 H HA . VAL 106 106 ? A 0.905 3.224 7.862 1.000 1 A 95.040 1 ATOM 1780 H HB . VAL 106 106 ? A 1.220 3.486 4.845 1.000 1 A 95.040 1 ATOM 1781 H HG11 . VAL 106 106 ? A 0.706 1.007 6.525 1.000 1 A 95.040 1 ATOM 1782 H HG12 . VAL 106 106 ? A 0.563 1.085 4.754 1.000 1 A 95.040 1 ATOM 1783 H HG13 . VAL 106 106 ? A 2.142 1.307 5.520 1.000 1 A 95.040 1 ATOM 1784 H HG21 . VAL 106 106 ? A -1.185 2.594 6.507 1.000 1 A 95.040 1 ATOM 1785 H HG22 . VAL 106 106 ? A -0.998 4.225 5.842 1.000 1 A 95.040 1 ATOM 1786 H HG23 . VAL 106 106 ? A -1.131 2.832 4.761 1.000 1 A 95.040 1 ATOM 1787 N N . LEU 107 107 ? A 3.796 3.900 6.389 1.000 1 A 93.460 1 ATOM 1788 C CA . LEU 107 107 ? A 5.244 3.691 6.495 1.000 1 A 93.460 1 ATOM 1789 C C . LEU 107 107 ? A 5.774 4.085 7.874 1.000 1 A 93.460 1 ATOM 1790 O O . LEU 107 107 ? A 6.558 3.350 8.461 1.000 1 A 93.460 1 ATOM 1791 C CB . LEU 107 107 ? A 5.976 4.524 5.429 1.000 1 A 93.460 1 ATOM 1792 C CG . LEU 107 107 ? A 5.879 4.007 3.987 1.000 1 A 93.460 1 ATOM 1793 C CD1 . LEU 107 107 ? A 6.452 5.058 3.034 1.000 1 A 93.460 1 ATOM 1794 C CD2 . LEU 107 107 ? A 6.678 2.719 3.789 1.000 1 A 93.460 1 ATOM 1795 H H . LEU 107 107 ? A 3.459 4.591 5.734 1.000 1 A 93.460 1 ATOM 1796 H HA . LEU 107 107 ? A 5.469 2.633 6.360 1.000 1 A 93.460 1 ATOM 1797 H HB2 . LEU 107 107 ? A 5.596 5.545 5.472 1.000 1 A 93.460 1 ATOM 1798 H HB3 . LEU 107 107 ? A 7.032 4.561 5.697 1.000 1 A 93.460 1 ATOM 1799 H HG . LEU 107 107 ? A 4.839 3.818 3.722 1.000 1 A 93.460 1 ATOM 1800 H HD11 . LEU 107 107 ? A 5.946 6.010 3.191 1.000 1 A 93.460 1 ATOM 1801 H HD12 . LEU 107 107 ? A 6.295 4.745 2.001 1.000 1 A 93.460 1 ATOM 1802 H HD13 . LEU 107 107 ? A 7.519 5.188 3.213 1.000 1 A 93.460 1 ATOM 1803 H HD21 . LEU 107 107 ? A 6.278 1.933 4.429 1.000 1 A 93.460 1 ATOM 1804 H HD22 . LEU 107 107 ? A 7.726 2.882 4.039 1.000 1 A 93.460 1 ATOM 1805 H HD23 . LEU 107 107 ? A 6.601 2.395 2.751 1.000 1 A 93.460 1 ATOM 1806 N N . GLY 108 108 ? A 5.339 5.226 8.402 1.000 1 A 90.660 1 ATOM 1807 C CA . GLY 108 108 ? A 5.721 5.723 9.717 1.000 1 A 90.660 1 ATOM 1808 C C . GLY 108 108 ? A 5.197 4.841 10.841 1.000 1 A 90.660 1 ATOM 1809 O O . GLY 108 108 ? A 5.895 4.654 11.832 1.000 1 A 90.660 1 ATOM 1810 H H . GLY 108 108 ? A 4.705 5.794 7.857 1.000 1 A 90.660 1 ATOM 1811 H HA2 . GLY 108 108 ? A 5.306 6.723 9.845 1.000 1 A 90.660 1 ATOM 1812 H HA3 . GLY 108 108 ? A 6.807 5.772 9.793 1.000 1 A 90.660 1 ATOM 1813 N N . TYR 109 109 ? A 4.007 4.265 10.681 1.000 1 A 91.660 1 ATOM 1814 C CA . TYR 109 109 ? A 3.427 3.359 11.662 1.000 1 A 91.660 1 ATOM 1815 C C . TYR 109 109 ? A 4.211 2.042 11.760 1.000 1 A 91.660 1 ATOM 1816 O O . TYR 109 109 ? A 4.759 1.735 12.817 1.000 1 A 91.660 1 ATOM 1817 C CB . TYR 109 109 ? A 1.945 3.150 11.340 1.000 1 A 91.660 1 ATOM 1818 C CG . TYR 109 109 ? A 1.267 2.360 12.422 1.000 1 A 91.660 1 ATOM 1819 C CD1 . TYR 109 109 ? A 1.042 0.984 12.249 1.000 1 A 91.660 1 ATOM 1820 C CD2 . TYR 109 109 ? A 0.931 3.000 13.631 1.000 1 A 91.660 1 ATOM 1821 C CE1 . TYR 109 109 ? A 0.499 0.242 13.307 1.000 1 A 91.660 1 ATOM 1822 C CE2 . TYR 109 109 ? A 0.395 2.254 14.692 1.000 1 A 91.660 1 ATOM 1823 C CZ . TYR 109 109 ? A 0.192 0.873 14.530 1.000 1 A 91.660 1 ATOM 1824 O OH . TYR 109 109 ? A -0.244 0.150 15.575 1.000 1 A 91.660 1 ATOM 1825 H H . TYR 109 109 ? A 3.450 4.501 9.872 1.000 1 A 91.660 1 ATOM 1826 H HA . TYR 109 109 ? A 3.487 3.833 12.641 1.000 1 A 91.660 1 ATOM 1827 H HB2 . TYR 109 109 ? A 1.835 2.641 10.382 1.000 1 A 91.660 1 ATOM 1828 H HB3 . TYR 109 109 ? A 1.449 4.118 11.269 1.000 1 A 91.660 1 ATOM 1829 H HD1 . TYR 109 109 ? A 1.286 0.488 11.321 1.000 1 A 91.660 1 ATOM 1830 H HD2 . TYR 109 109 ? A 1.069 4.066 13.738 1.000 1 A 91.660 1 ATOM 1831 H HE1 . TYR 109 109 ? A 0.316 -0.816 13.198 1.000 1 A 91.660 1 ATOM 1832 H HE2 . TYR 109 109 ? A 0.118 2.717 15.628 1.000 1 A 91.660 1 ATOM 1833 H HH . TYR 109 109 ? A -0.643 0.652 16.289 1.000 1 A 91.660 1 ATOM 1834 N N . PHE 110 110 ? A 4.365 1.315 10.648 1.000 1 A 89.730 1 ATOM 1835 C CA . PHE 110 110 ? A 5.098 0.040 10.636 1.000 1 A 89.730 1 ATOM 1836 C C . PHE 110 110 ? A 6.623 0.214 10.727 1.000 1 A 89.730 1 ATOM 1837 O O . PHE 110 110 ? A 7.325 -0.645 11.258 1.000 1 A 89.730 1 ATOM 1838 C CB . PHE 110 110 ? A 4.718 -0.745 9.375 1.000 1 A 89.730 1 ATOM 1839 C CG . PHE 110 110 ? A 3.278 -1.222 9.355 1.000 1 A 89.730 1 ATOM 1840 C CD1 . PHE 110 110 ? A 2.826 -2.127 10.336 1.000 1 A 89.730 1 ATOM 1841 C CD2 . PHE 110 110 ? A 2.384 -0.761 8.369 1.000 1 A 89.730 1 ATOM 1842 C CE1 . PHE 110 110 ? A 1.485 -2.543 10.350 1.000 1 A 89.730 1 ATOM 1843 C CE2 . PHE 110 110 ? A 1.045 -1.192 8.378 1.000 1 A 89.730 1 ATOM 1844 C CZ . PHE 110 110 ? A 0.594 -2.070 9.375 1.000 1 A 89.730 1 ATOM 1845 H H . PHE 110 110 ? A 3.902 1.619 9.804 1.000 1 A 89.730 1 ATOM 1846 H HA . PHE 110 110 ? A 4.800 -0.541 11.508 1.000 1 A 89.730 1 ATOM 1847 H HB2 . PHE 110 110 ? A 5.359 -1.623 9.302 1.000 1 A 89.730 1 ATOM 1848 H HB3 . PHE 110 110 ? A 4.913 -0.116 8.507 1.000 1 A 89.730 1 ATOM 1849 H HD1 . PHE 110 110 ? A 3.496 -2.489 11.102 1.000 1 A 89.730 1 ATOM 1850 H HD2 . PHE 110 110 ? A 2.725 -0.071 7.612 1.000 1 A 89.730 1 ATOM 1851 H HE1 . PHE 110 110 ? A 1.128 -3.209 11.121 1.000 1 A 89.730 1 ATOM 1852 H HE2 . PHE 110 110 ? A 0.349 -0.846 7.629 1.000 1 A 89.730 1 ATOM 1853 H HZ . PHE 110 110 ? A -0.440 -2.380 9.408 1.000 1 A 89.730 1 ATOM 1854 N N . GLY 111 111 ? A 7.155 1.335 10.241 1.000 1 A 82.360 1 ATOM 1855 C CA . GLY 111 111 ? A 8.587 1.632 10.230 1.000 1 A 82.360 1 ATOM 1856 C C . GLY 111 111 ? A 9.190 1.858 11.616 1.000 1 A 82.360 1 ATOM 1857 O O . GLY 111 111 ? A 10.398 1.682 11.771 1.000 1 A 82.360 1 ATOM 1858 H H . GLY 111 111 ? A 6.546 1.996 9.780 1.000 1 A 82.360 1 ATOM 1859 H HA2 . GLY 111 111 ? A 9.118 0.807 9.755 1.000 1 A 82.360 1 ATOM 1860 H HA3 . GLY 111 111 ? A 8.752 2.534 9.640 1.000 1 A 82.360 1 ATOM 1861 N N . LYS 112 112 ? A 8.376 2.169 12.640 1.000 1 A 74.150 1 ATOM 1862 C CA . LYS 112 112 ? A 8.819 2.296 14.046 1.000 1 A 74.150 1 ATOM 1863 C C . LYS 112 112 ? A 9.593 1.071 14.542 1.000 1 A 74.150 1 ATOM 1864 O O . LYS 112 112 ? A 10.498 1.225 15.356 1.000 1 A 74.150 1 ATOM 1865 C CB . LYS 112 112 ? A 7.602 2.527 14.956 1.000 1 A 74.150 1 ATOM 1866 C CG . LYS 112 112 ? A 7.127 3.986 14.930 1.000 1 A 74.150 1 ATOM 1867 C CD . LYS 112 112 ? A 5.775 4.120 15.640 1.000 1 A 74.150 1 ATOM 1868 C CE . LYS 112 112 ? A 5.228 5.549 15.542 1.000 1 A 74.150 1 ATOM 1869 N NZ . LYS 112 112 ? A 3.943 5.670 16.281 1.000 1 A 74.150 1 ATOM 1870 H H . LYS 112 112 ? A 7.392 2.280 12.441 1.000 1 A 74.150 1 ATOM 1871 H HA . LYS 112 112 ? A 9.506 3.138 14.138 1.000 1 A 74.150 1 ATOM 1872 H HB2 . LYS 112 112 ? A 7.867 2.278 15.984 1.000 1 A 74.150 1 ATOM 1873 H HB3 . LYS 112 112 ? A 6.796 1.859 14.652 1.000 1 A 74.150 1 ATOM 1874 H HG2 . LYS 112 112 ? A 7.037 4.323 13.897 1.000 1 A 74.150 1 ATOM 1875 H HG3 . LYS 112 112 ? A 7.865 4.612 15.431 1.000 1 A 74.150 1 ATOM 1876 H HD2 . LYS 112 112 ? A 5.896 3.839 16.686 1.000 1 A 74.150 1 ATOM 1877 H HD3 . LYS 112 112 ? A 5.065 3.437 15.175 1.000 1 A 74.150 1 ATOM 1878 H HE2 . LYS 112 112 ? A 5.968 6.237 15.952 1.000 1 A 74.150 1 ATOM 1879 H HE3 . LYS 112 112 ? A 5.085 5.786 14.488 1.000 1 A 74.150 1 ATOM 1880 H HZ1 . LYS 112 112 ? A 3.553 6.598 16.203 1.000 1 A 74.150 1 ATOM 1881 H HZ2 . LYS 112 112 ? A 4.068 5.450 17.259 1.000 1 A 74.150 1 ATOM 1882 H HZ3 . LYS 112 112 ? A 3.270 5.011 15.917 1.000 1 A 74.150 1 ATOM 1883 N N . ASN 113 113 ? A 9.288 -0.105 13.996 1.000 1 A 72.220 1 ATOM 1884 C CA . ASN 113 113 ? A 9.876 -1.378 14.407 1.000 1 A 72.220 1 ATOM 1885 C C . ASN 113 113 ? A 10.938 -1.902 13.424 1.000 1 A 72.220 1 ATOM 1886 O O . ASN 113 113 ? A 11.400 -3.031 13.554 1.000 1 A 72.220 1 ATOM 1887 C CB . ASN 113 113 ? A 8.722 -2.365 14.636 1.000 1 A 72.220 1 ATOM 1888 C CG . ASN 113 113 ? A 7.773 -1.911 15.732 1.000 1 A 72.220 1 ATOM 1889 O OD1 . ASN 113 113 ? A 8.065 -1.047 16.544 1.000 1 A 72.220 1 ATOM 1890 N ND2 . ASN 113 113 ? A 6.591 -2.468 15.775 1.000 1 A 72.220 1 ATOM 1891 H H . ASN 113 113 ? A 8.522 -0.132 13.338 1.000 1 A 72.220 1 ATOM 1892 H HA . ASN 113 113 ? A 10.388 -1.245 15.360 1.000 1 A 72.220 1 ATOM 1893 H HB2 . ASN 113 113 ? A 8.161 -2.493 13.710 1.000 1 A 72.220 1 ATOM 1894 H HB3 . ASN 113 113 ? A 9.123 -3.337 14.922 1.000 1 A 72.220 1 ATOM 1895 H HD21 . ASN 113 113 ? A 6.347 -3.242 15.174 1.000 1 A 72.220 1 ATOM 1896 H HD22 . ASN 113 113 ? A 6.021 -2.277 16.587 1.000 1 A 72.220 1 ATOM 1897 N N . GLY 114 114 ? A 11.323 -1.112 12.414 1.000 1 A 70.440 1 ATOM 1898 C CA . GLY 114 114 ? A 12.240 -1.559 11.360 1.000 1 A 70.440 1 ATOM 1899 C C . GLY 114 114 ? A 11.619 -2.557 10.374 1.000 1 A 70.440 1 ATOM 1900 O O . GLY 114 114 ? A 12.344 -3.188 9.602 1.000 1 A 70.440 1 ATOM 1901 H H . GLY 114 114 ? A 10.951 -0.174 12.364 1.000 1 A 70.440 1 ATOM 1902 H HA2 . GLY 114 114 ? A 13.110 -2.031 11.816 1.000 1 A 70.440 1 ATOM 1903 H HA3 . GLY 114 114 ? A 12.572 -0.688 10.793 1.000 1 A 70.440 1 ATOM 1904 N N . THR 115 115 ? A 10.289 -2.703 10.378 1.000 1 A 73.990 1 ATOM 1905 C CA . THR 115 115 ? A 9.567 -3.634 9.508 1.000 1 A 73.990 1 ATOM 1906 C C . THR 115 115 ? A 9.809 -3.290 8.039 1.000 1 A 73.990 1 ATOM 1907 O O . THR 115 115 ? A 9.381 -2.249 7.535 1.000 1 A 73.990 1 ATOM 1908 C CB . THR 115 115 ? A 8.061 -3.634 9.818 1.000 1 A 73.990 1 ATOM 1909 O OG1 . THR 115 115 ? A 7.880 -3.766 11.207 1.000 1 A 73.990 1 ATOM 1910 C CG2 . THR 115 115 ? A 7.345 -4.826 9.182 1.000 1 A 73.990 1 ATOM 1911 H H . THR 115 115 ? A 9.745 -2.222 11.080 1.000 1 A 73.990 1 ATOM 1912 H HA . THR 115 115 ? A 9.941 -4.638 9.709 1.000 1 A 73.990 1 ATOM 1913 H HB . THR 115 115 ? A 7.611 -2.703 9.475 1.000 1 A 73.990 1 ATOM 1914 H HG1 . THR 115 115 ? A 6.939 -3.763 11.397 1.000 1 A 73.990 1 ATOM 1915 H HG21 . THR 115 115 ? A 6.268 -4.653 9.191 1.000 1 A 73.990 1 ATOM 1916 H HG22 . THR 115 115 ? A 7.559 -5.733 9.747 1.000 1 A 73.990 1 ATOM 1917 H HG23 . THR 115 115 ? A 7.679 -4.988 8.157 1.000 1 A 73.990 1 ATOM 1918 N N . ARG 116 116 ? A 10.486 -4.188 7.316 1.000 1 A 78.860 1 ATOM 1919 C CA . ARG 116 116 ? A 10.728 -4.046 5.874 1.000 1 A 78.860 1 ATOM 1920 C C . ARG 116 116 ? A 9.479 -4.436 5.088 1.000 1 A 78.860 1 ATOM 1921 O O . ARG 116 116 ? A 9.230 -5.613 4.843 1.000 1 A 78.860 1 ATOM 1922 C CB . ARG 116 116 ? A 11.945 -4.877 5.446 1.000 1 A 78.860 1 ATOM 1923 C CG . ARG 116 116 ? A 13.268 -4.258 5.916 1.000 1 A 78.860 1 ATOM 1924 C CD . ARG 116 116 ? A 14.436 -5.094 5.383 1.000 1 A 78.860 1 ATOM 1925 N NE . ARG 116 116 ? A 15.735 -4.455 5.656 1.000 1 A 78.860 1 ATOM 1926 C CZ . ARG 116 116 ? A 16.923 -4.971 5.396 1.000 1 A 78.860 1 ATOM 1927 N NH1 . ARG 116 116 ? A 17.064 -6.165 4.891 1.000 1 A 78.860 1 ATOM 1928 N NH2 . ARG 116 116 ? A 18.005 -4.288 5.642 1.000 1 A 78.860 1 ATOM 1929 H H . ARG 116 116 ? A 10.851 -4.996 7.800 1.000 1 A 78.860 1 ATOM 1930 H HA . ARG 116 116 ? A 10.937 -2.999 5.656 1.000 1 A 78.860 1 ATOM 1931 H HB2 . ARG 116 116 ? A 11.961 -4.928 4.357 1.000 1 A 78.860 1 ATOM 1932 H HB3 . ARG 116 116 ? A 11.853 -5.891 5.833 1.000 1 A 78.860 1 ATOM 1933 H HG2 . ARG 116 116 ? A 13.346 -3.241 5.531 1.000 1 A 78.860 1 ATOM 1934 H HG3 . ARG 116 116 ? A 13.303 -4.232 7.005 1.000 1 A 78.860 1 ATOM 1935 H HD2 . ARG 116 116 ? A 14.400 -6.077 5.853 1.000 1 A 78.860 1 ATOM 1936 H HD3 . ARG 116 116 ? A 14.320 -5.215 4.306 1.000 1 A 78.860 1 ATOM 1937 H HE . ARG 116 116 ? A 15.709 -3.535 6.072 1.000 1 A 78.860 1 ATOM 1938 H HH11 . ARG 116 116 ? A 17.980 -6.539 4.691 1.000 1 A 78.860 1 ATOM 1939 H HH12 . ARG 116 116 ? A 16.237 -6.716 4.706 1.000 1 A 78.860 1 ATOM 1940 H HH21 . ARG 116 116 ? A 18.912 -4.685 5.445 1.000 1 A 78.860 1 ATOM 1941 H HH22 . ARG 116 116 ? A 17.939 -3.350 6.011 1.000 1 A 78.860 1 ATOM 1942 N N . ILE 117 117 ? A 8.705 -3.436 4.676 1.000 1 A 82.510 1 ATOM 1943 C CA . ILE 117 117 ? A 7.424 -3.633 3.969 1.000 1 A 82.510 1 ATOM 1944 C C . ILE 117 117 ? A 7.468 -3.261 2.477 1.000 1 A 82.510 1 ATOM 1945 O O . ILE 117 117 ? A 6.548 -3.590 1.727 1.000 1 A 82.510 1 ATOM 1946 C CB . ILE 117 117 ? A 6.280 -2.946 4.745 1.000 1 A 82.510 1 ATOM 1947 C CG1 . ILE 117 117 ? A 6.558 -1.460 5.052 1.000 1 A 82.510 1 ATOM 1948 C CG2 . ILE 117 117 ? A 6.077 -3.693 6.071 1.000 1 A 82.510 1 ATOM 1949 C CD1 . ILE 117 117 ? A 5.296 -0.724 5.530 1.000 1 A 82.510 1 ATOM 1950 H H . ILE 117 117 ? A 8.903 -2.523 5.059 1.000 1 A 82.510 1 ATOM 1951 H HA . ILE 117 117 ? A 7.189 -4.697 3.969 1.000 1 A 82.510 1 ATOM 1952 H HB . ILE 117 117 ? A 5.366 -3.030 4.157 1.000 1 A 82.510 1 ATOM 1953 H HG12 . ILE 117 117 ? A 6.963 -0.972 4.165 1.000 1 A 82.510 1 ATOM 1954 H HG13 . ILE 117 117 ? A 7.315 -1.376 5.831 1.000 1 A 82.510 1 ATOM 1955 H HG21 . ILE 117 117 ? A 5.886 -4.752 5.893 1.000 1 A 82.510 1 ATOM 1956 H HG22 . ILE 117 117 ? A 6.963 -3.574 6.694 1.000 1 A 82.510 1 ATOM 1957 H HG23 . ILE 117 117 ? A 5.233 -3.278 6.622 1.000 1 A 82.510 1 ATOM 1958 H HD11 . ILE 117 117 ? A 5.522 0.329 5.700 1.000 1 A 82.510 1 ATOM 1959 H HD12 . ILE 117 117 ? A 4.945 -1.141 6.475 1.000 1 A 82.510 1 ATOM 1960 H HD13 . ILE 117 117 ? A 4.495 -0.817 4.797 1.000 1 A 82.510 1 ATOM 1961 N N . CYS 118 118 ? A 8.562 -2.651 2.013 1.000 1 A 85.120 1 ATOM 1962 C CA . CYS 118 118 ? A 8.784 -2.244 0.619 1.000 1 A 85.120 1 ATOM 1963 C C . CYS 118 118 ? A 9.267 -3.404 -0.274 1.000 1 A 85.120 1 ATOM 1964 O O . CYS 118 118 ? A 10.271 -3.285 -0.969 1.000 1 A 85.120 1 ATOM 1965 C CB . CYS 118 118 ? A 9.744 -1.045 0.594 1.000 1 A 85.120 1 ATOM 1966 S SG . CYS 118 118 ? A 9.014 0.346 1.505 1.000 1 A 85.120 1 ATOM 1967 H H . CYS 118 118 ? A 9.272 -2.390 2.683 1.000 1 A 85.120 1 ATOM 1968 H HA . CYS 118 118 ? A 7.832 -1.912 0.205 1.000 1 A 85.120 1 ATOM 1969 H HB2 . CYS 118 118 ? A 10.697 -1.326 1.043 1.000 1 A 85.120 1 ATOM 1970 H HB3 . CYS 118 118 ? A 9.929 -0.745 -0.437 1.000 1 A 85.120 1 ATOM 1971 H HG . CYS 118 118 ? A 10.098 1.124 1.553 1.000 1 A 85.120 1 ATOM 1972 N N . LEU 119 119 ? A 8.580 -4.544 -0.225 1.000 1 A 89.570 1 ATOM 1973 C CA . LEU 119 119 ? A 8.953 -5.744 -0.978 1.000 1 A 89.570 1 ATOM 1974 C C . LEU 119 119 ? A 8.362 -5.732 -2.401 1.000 1 A 89.570 1 ATOM 1975 O O . LEU 119 119 ? A 7.289 -5.159 -2.583 1.000 1 A 89.570 1 ATOM 1976 C CB . LEU 119 119 ? A 8.480 -6.986 -0.215 1.000 1 A 89.570 1 ATOM 1977 C CG . LEU 119 119 ? A 9.027 -7.155 1.212 1.000 1 A 89.570 1 ATOM 1978 C CD1 . LEU 119 119 ? A 8.320 -8.331 1.891 1.000 1 A 89.570 1 ATOM 1979 C CD2 . LEU 119 119 ? A 10.530 -7.433 1.199 1.000 1 A 89.570 1 ATOM 1980 H H . LEU 119 119 ? A 7.734 -4.558 0.326 1.000 1 A 89.570 1 ATOM 1981 H HA . LEU 119 119 ? A 10.039 -5.774 -1.065 1.000 1 A 89.570 1 ATOM 1982 H HB2 . LEU 119 119 ? A 7.391 -6.958 -0.174 1.000 1 A 89.570 1 ATOM 1983 H HB3 . LEU 119 119 ? A 8.796 -7.853 -0.794 1.000 1 A 89.570 1 ATOM 1984 H HG . LEU 119 119 ? A 8.830 -6.257 1.797 1.000 1 A 89.570 1 ATOM 1985 H HD11 . LEU 119 119 ? A 7.243 -8.163 1.910 1.000 1 A 89.570 1 ATOM 1986 H HD12 . LEU 119 119 ? A 8.557 -9.267 1.384 1.000 1 A 89.570 1 ATOM 1987 H HD13 . LEU 119 119 ? A 8.669 -8.403 2.920 1.000 1 A 89.570 1 ATOM 1988 H HD21 . LEU 119 119 ? A 10.753 -8.321 0.607 1.000 1 A 89.570 1 ATOM 1989 H HD22 . LEU 119 119 ? A 11.065 -6.578 0.786 1.000 1 A 89.570 1 ATOM 1990 H HD23 . LEU 119 119 ? A 10.877 -7.590 2.220 1.000 1 A 89.570 1 ATOM 1991 N N . PRO 120 120 ? A 8.996 -6.396 -3.386 1.000 1 A 95.140 1 ATOM 1992 C CA . PRO 120 120 ? A 8.452 -6.506 -4.736 1.000 1 A 95.140 1 ATOM 1993 C C . PRO 120 120 ? A 7.246 -7.450 -4.804 1.000 1 A 95.140 1 ATOM 1994 O O . PRO 120 120 ? A 7.183 -8.444 -4.069 1.000 1 A 95.140 1 ATOM 1995 C CB . PRO 120 120 ? A 9.604 -7.026 -5.599 1.000 1 A 95.140 1 ATOM 1996 C CG . PRO 120 120 ? A 10.428 -7.853 -4.614 1.000 1 A 95.140 1 ATOM 1997 C CD . PRO 120 120 ? A 10.289 -7.068 -3.309 1.000 1 A 95.140 1 ATOM 1998 H HA . PRO 120 120 ? A 8.152 -5.520 -5.091 1.000 1 A 95.140 1 ATOM 1999 H HB2 . PRO 120 120 ? A 10.198 -6.191 -5.969 1.000 1 A 95.140 1 ATOM 2000 H HB3 . PRO 120 120 ? A 9.243 -7.637 -6.426 1.000 1 A 95.140 1 ATOM 2001 H HG2 . PRO 120 120 ? A 9.980 -8.840 -4.500 1.000 1 A 95.140 1 ATOM 2002 H HG3 . PRO 120 120 ? A 11.468 -7.939 -4.928 1.000 1 A 95.140 1 ATOM 2003 H HD2 . PRO 120 120 ? A 10.347 -7.746 -2.458 1.000 1 A 95.140 1 ATOM 2004 H HD3 . PRO 120 120 ? A 11.078 -6.320 -3.249 1.000 1 A 95.140 1 ATOM 2005 N N . ASN 121 121 ? A 6.319 -7.169 -5.720 1.000 1 A 96.550 1 ATOM 2006 C CA . ASN 121 121 ? A 5.230 -8.072 -6.098 1.000 1 A 96.550 1 ATOM 2007 C C . ASN 121 121 ? A 5.721 -9.245 -6.979 1.000 1 A 96.550 1 ATOM 2008 O O . ASN 121 121 ? A 6.923 -9.417 -7.183 1.000 1 A 96.550 1 ATOM 2009 C CB . ASN 121 121 ? A 4.100 -7.234 -6.726 1.000 1 A 96.550 1 ATOM 2010 C CG . ASN 121 121 ? A 4.343 -6.761 -8.146 1.000 1 A 96.550 1 ATOM 2011 O OD1 . ASN 121 121 ? A 5.301 -7.100 -8.820 1.000 1 A 96.550 1 ATOM 2012 N ND2 . ASN 121 121 ? A 3.437 -5.979 -8.677 1.000 1 A 96.550 1 ATOM 2013 H H . ASN 121 121 ? A 6.419 -6.307 -6.237 1.000 1 A 96.550 1 ATOM 2014 H HA . ASN 121 121 ? A 4.835 -8.514 -5.184 1.000 1 A 96.550 1 ATOM 2015 H HB2 . ASN 121 121 ? A 3.184 -7.826 -6.741 1.000 1 A 96.550 1 ATOM 2016 H HB3 . ASN 121 121 ? A 3.904 -6.365 -6.098 1.000 1 A 96.550 1 ATOM 2017 H HD21 . ASN 121 121 ? A 3.569 -5.710 -9.642 1.000 1 A 96.550 1 ATOM 2018 H HD22 . ASN 121 121 ? A 2.644 -5.706 -8.115 1.000 1 A 96.550 1 ATOM 2019 N N . PHE 122 122 ? A 4.810 -10.069 -7.513 1.000 1 A 96.680 1 ATOM 2020 C CA . PHE 122 122 ? A 5.190 -11.254 -8.304 1.000 1 A 96.680 1 ATOM 2021 C C . PHE 122 122 ? A 5.838 -10.925 -9.657 1.000 1 A 96.680 1 ATOM 2022 O O . PHE 122 122 ? A 6.519 -11.766 -10.232 1.000 1 A 96.680 1 ATOM 2023 C CB . PHE 122 122 ? A 3.972 -12.173 -8.477 1.000 1 A 96.680 1 ATOM 2024 C CG . PHE 122 122 ? A 3.347 -12.691 -7.190 1.000 1 A 96.680 1 ATOM 2025 C CD1 . PHE 122 122 ? A 4.132 -12.963 -6.049 1.000 1 A 96.680 1 ATOM 2026 C CD2 . PHE 122 122 ? A 1.963 -12.943 -7.146 1.000 1 A 96.680 1 ATOM 2027 C CE1 . PHE 122 122 ? A 3.535 -13.443 -4.871 1.000 1 A 96.680 1 ATOM 2028 C CE2 . PHE 122 122 ? A 1.366 -13.422 -5.967 1.000 1 A 96.680 1 ATOM 2029 C CZ . PHE 122 122 ? A 2.149 -13.666 -4.827 1.000 1 A 96.680 1 ATOM 2030 H H . PHE 122 122 ? A 3.824 -9.876 -7.404 1.000 1 A 96.680 1 ATOM 2031 H HA . PHE 122 122 ? A 5.959 -11.804 -7.760 1.000 1 A 96.680 1 ATOM 2032 H HB2 . PHE 122 122 ? A 3.215 -11.636 -9.048 1.000 1 A 96.680 1 ATOM 2033 H HB3 . PHE 122 122 ? A 4.274 -13.038 -9.068 1.000 1 A 96.680 1 ATOM 2034 H HD1 . PHE 122 122 ? A 5.204 -12.833 -6.075 1.000 1 A 96.680 1 ATOM 2035 H HD2 . PHE 122 122 ? A 1.352 -12.769 -8.019 1.000 1 A 96.680 1 ATOM 2036 H HE1 . PHE 122 122 ? A 4.145 -13.677 -4.011 1.000 1 A 96.680 1 ATOM 2037 H HE2 . PHE 122 122 ? A 0.303 -13.607 -5.942 1.000 1 A 96.680 1 ATOM 2038 H HZ . PHE 122 122 ? A 1.684 -14.049 -3.930 1.000 1 A 96.680 1 ATOM 2039 N N . ASN 123 123 ? A 5.703 -9.684 -10.124 1.000 1 A 95.500 1 ATOM 2040 C CA . ASN 123 123 ? A 6.346 -9.167 -11.331 1.000 1 A 95.500 1 ATOM 2041 C C . ASN 123 123 ? A 7.682 -8.463 -11.040 1.000 1 A 95.500 1 ATOM 2042 O O . ASN 123 123 ? A 8.253 -7.827 -11.925 1.000 1 A 95.500 1 ATOM 2043 C CB . ASN 123 123 ? A 5.321 -8.258 -12.035 1.000 1 A 95.500 1 ATOM 2044 C CG . ASN 123 123 ? A 4.175 -9.046 -12.640 1.000 1 A 95.500 1 ATOM 2045 O OD1 . ASN 123 123 ? A 4.276 -10.222 -12.936 1.000 1 A 95.500 1 ATOM 2046 N ND2 . ASN 123 123 ? A 3.050 -8.419 -12.883 1.000 1 A 95.500 1 ATOM 2047 H H . ASN 123 123 ? A 5.188 -9.024 -9.558 1.000 1 A 95.500 1 ATOM 2048 H HA . ASN 123 123 ? A 6.591 -10.000 -11.991 1.000 1 A 95.500 1 ATOM 2049 H HB2 . ASN 123 123 ? A 5.802 -7.696 -12.836 1.000 1 A 95.500 1 ATOM 2050 H HB3 . ASN 123 123 ? A 4.924 -7.534 -11.323 1.000 1 A 95.500 1 ATOM 2051 H HD21 . ASN 123 123 ? A 2.931 -7.443 -12.651 1.000 1 A 95.500 1 ATOM 2052 H HD22 . ASN 123 123 ? A 2.307 -8.995 -13.253 1.000 1 A 95.500 1 ATOM 2053 N N . GLY 124 124 ? A 8.165 -8.511 -9.795 1.000 1 A 96.070 1 ATOM 2054 C CA . GLY 124 124 ? A 9.368 -7.796 -9.375 1.000 1 A 96.070 1 ATOM 2055 C C . GLY 124 124 ? A 9.152 -6.295 -9.202 1.000 1 A 96.070 1 ATOM 2056 O O . GLY 124 124 ? A 10.102 -5.577 -8.900 1.000 1 A 96.070 1 ATOM 2057 H H . GLY 124 124 ? A 7.672 -9.054 -9.100 1.000 1 A 96.070 1 ATOM 2058 H HA2 . GLY 124 124 ? A 10.151 -7.936 -10.121 1.000 1 A 96.070 1 ATOM 2059 H HA3 . GLY 124 124 ? A 9.722 -8.215 -8.433 1.000 1 A 96.070 1 ATOM 2060 N N . MET 125 125 ? A 7.920 -5.801 -9.373 1.000 1 A 96.780 1 ATOM 2061 C CA . MET 125 125 ? A 7.637 -4.382 -9.204 1.000 1 A 96.780 1 ATOM 2062 C C . MET 125 125 ? A 7.632 -4.032 -7.726 1.000 1 A 96.780 1 ATOM 2063 O O . MET 125 125 ? A 6.868 -4.612 -6.959 1.000 1 A 96.780 1 ATOM 2064 C CB . MET 125 125 ? A 6.317 -3.950 -9.844 1.000 1 A 96.780 1 ATOM 2065 C CG . MET 125 125 ? A 6.337 -4.034 -11.366 1.000 1 A 96.780 1 ATOM 2066 S SD . MET 125 125 ? A 4.905 -3.209 -12.114 1.000 1 A 96.780 1 ATOM 2067 C CE . MET 125 125 ? A 5.375 -3.390 -13.854 1.000 1 A 96.780 1 ATOM 2068 H H . MET 125 125 ? A 7.151 -6.442 -9.510 1.000 1 A 96.780 1 ATOM 2069 H HA . MET 125 125 ? A 8.436 -3.823 -9.692 1.000 1 A 96.780 1 ATOM 2070 H HB2 . MET 125 125 ? A 6.137 -2.910 -9.570 1.000 1 A 96.780 1 ATOM 2071 H HB3 . MET 125 125 ? A 5.493 -4.547 -9.453 1.000 1 A 96.780 1 ATOM 2072 H HG2 . MET 125 125 ? A 6.359 -5.080 -11.672 1.000 1 A 96.780 1 ATOM 2073 H HG3 . MET 125 125 ? A 7.243 -3.550 -11.732 1.000 1 A 96.780 1 ATOM 2074 H HE1 . MET 125 125 ? A 5.479 -4.447 -14.103 1.000 1 A 96.780 1 ATOM 2075 H HE2 . MET 125 125 ? A 6.329 -2.889 -14.023 1.000 1 A 96.780 1 ATOM 2076 H HE3 . MET 125 125 ? A 4.616 -2.938 -14.493 1.000 1 A 96.780 1 ATOM 2077 N N . THR 126 126 ? A 8.446 -3.057 -7.335 1.000 1 A 96.020 1 ATOM 2078 C CA . THR 126 126 ? A 8.440 -2.496 -5.982 1.000 1 A 96.020 1 ATOM 2079 C C . THR 126 126 ? A 7.424 -1.354 -5.871 1.000 1 A 96.020 1 ATOM 2080 O O . THR 126 126 ? A 7.054 -0.742 -6.882 1.000 1 A 96.020 1 ATOM 2081 C CB . THR 126 126 ? A 9.840 -2.015 -5.564 1.000 1 A 96.020 1 ATOM 2082 O OG1 . THR 126 126 ? A 10.235 -0.888 -6.312 1.000 1 A 96.020 1 ATOM 2083 C CG2 . THR 126 126 ? A 10.914 -3.085 -5.728 1.000 1 A 96.020 1 ATOM 2084 H H . THR 126 126 ? A 9.075 -2.654 -8.014 1.000 1 A 96.020 1 ATOM 2085 H HA . THR 126 126 ? A 8.146 -3.283 -5.288 1.000 1 A 96.020 1 ATOM 2086 H HB . THR 126 126 ? A 9.812 -1.728 -4.512 1.000 1 A 96.020 1 ATOM 2087 H HG1 . THR 126 126 ? A 11.195 -0.893 -6.311 1.000 1 A 96.020 1 ATOM 2088 H HG21 . THR 126 126 ? A 11.867 -2.699 -5.365 1.000 1 A 96.020 1 ATOM 2089 H HG22 . THR 126 126 ? A 10.653 -3.962 -5.136 1.000 1 A 96.020 1 ATOM 2090 H HG23 . THR 126 126 ? A 11.025 -3.375 -6.773 1.000 1 A 96.020 1 ATOM 2091 N N . PRO 127 127 ? A 6.999 -0.972 -4.651 1.000 1 A 96.680 1 ATOM 2092 C CA . PRO 127 127 ? A 6.185 0.227 -4.459 1.000 1 A 96.680 1 ATOM 2093 C C . PRO 127 127 ? A 6.828 1.494 -5.046 1.000 1 A 96.680 1 ATOM 2094 O O . PRO 127 127 ? A 6.129 2.355 -5.570 1.000 1 A 96.680 1 ATOM 2095 C CB . PRO 127 127 ? A 5.997 0.336 -2.944 1.000 1 A 96.680 1 ATOM 2096 C CG . PRO 127 127 ? A 6.080 -1.115 -2.474 1.000 1 A 96.680 1 ATOM 2097 C CD . PRO 127 127 ? A 7.143 -1.704 -3.399 1.000 1 A 96.680 1 ATOM 2098 H HA . PRO 127 127 ? A 5.215 0.071 -4.931 1.000 1 A 96.680 1 ATOM 2099 H HB2 . PRO 127 127 ? A 5.043 0.795 -2.686 1.000 1 A 96.680 1 ATOM 2100 H HB3 . PRO 127 127 ? A 6.822 0.899 -2.506 1.000 1 A 96.680 1 ATOM 2101 H HG2 . PRO 127 127 ? A 6.367 -1.186 -1.424 1.000 1 A 96.680 1 ATOM 2102 H HG3 . PRO 127 127 ? A 5.124 -1.610 -2.647 1.000 1 A 96.680 1 ATOM 2103 H HD2 . PRO 127 127 ? A 6.964 -2.771 -3.534 1.000 1 A 96.680 1 ATOM 2104 H HD3 . PRO 127 127 ? A 8.135 -1.534 -2.980 1.000 1 A 96.680 1 ATOM 2105 N N . VAL 128 128 ? A 8.161 1.601 -5.033 1.000 1 A 94.520 1 ATOM 2106 C CA . VAL 128 128 ? A 8.875 2.758 -5.602 1.000 1 A 94.520 1 ATOM 2107 C C . VAL 128 128 ? A 8.671 2.836 -7.114 1.000 1 A 94.520 1 ATOM 2108 O O . VAL 128 128 ? A 8.400 3.914 -7.639 1.000 1 A 94.520 1 ATOM 2109 C CB . VAL 128 128 ? A 10.376 2.697 -5.285 1.000 1 A 94.520 1 ATOM 2110 C CG1 . VAL 128 128 ? A 11.110 3.958 -5.730 1.000 1 A 94.520 1 ATOM 2111 C CG2 . VAL 128 128 ? A 10.628 2.598 -3.785 1.000 1 A 94.520 1 ATOM 2112 H H . VAL 128 128 ? A 8.707 0.842 -4.651 1.000 1 A 94.520 1 ATOM 2113 H HA . VAL 128 128 ? A 8.470 3.674 -5.172 1.000 1 A 94.520 1 ATOM 2114 H HB . VAL 128 128 ? A 10.817 1.832 -5.780 1.000 1 A 94.520 1 ATOM 2115 H HG11 . VAL 128 128 ? A 10.806 4.793 -5.099 1.000 1 A 94.520 1 ATOM 2116 H HG12 . VAL 128 128 ? A 10.896 4.192 -6.773 1.000 1 A 94.520 1 ATOM 2117 H HG13 . VAL 128 128 ? A 12.183 3.808 -5.617 1.000 1 A 94.520 1 ATOM 2118 H HG21 . VAL 128 128 ? A 11.702 2.518 -3.615 1.000 1 A 94.520 1 ATOM 2119 H HG22 . VAL 128 128 ? A 10.139 1.717 -3.371 1.000 1 A 94.520 1 ATOM 2120 H HG23 . VAL 128 128 ? A 10.257 3.498 -3.293 1.000 1 A 94.520 1 ATOM 2121 N N . MET 129 129 ? A 8.717 1.700 -7.817 1.000 1 A 95.310 1 ATOM 2122 C CA . MET 129 129 ? A 8.417 1.651 -9.253 1.000 1 A 95.310 1 ATOM 2123 C C . MET 129 129 ? A 6.969 2.059 -9.531 1.000 1 A 95.310 1 ATOM 2124 O O . MET 129 129 ? A 6.712 2.818 -10.460 1.000 1 A 95.310 1 ATOM 2125 C CB . MET 129 129 ? A 8.652 0.244 -9.804 1.000 1 A 95.310 1 ATOM 2126 C CG . MET 129 129 ? A 10.108 -0.202 -9.722 1.000 1 A 95.310 1 ATOM 2127 S SD . MET 129 129 ? A 10.224 -1.978 -9.986 1.000 1 A 95.310 1 ATOM 2128 C CE . MET 129 129 ? A 11.977 -2.228 -9.695 1.000 1 A 95.310 1 ATOM 2129 H H . MET 129 129 ? A 8.920 0.834 -7.338 1.000 1 A 95.310 1 ATOM 2130 H HA . MET 129 129 ? A 9.067 2.348 -9.782 1.000 1 A 95.310 1 ATOM 2131 H HB2 . MET 129 129 ? A 8.345 0.212 -10.849 1.000 1 A 95.310 1 ATOM 2132 H HB3 . MET 129 129 ? A 8.032 -0.463 -9.253 1.000 1 A 95.310 1 ATOM 2133 H HG2 . MET 129 129 ? A 10.519 0.030 -8.739 1.000 1 A 95.310 1 ATOM 2134 H HG3 . MET 129 129 ? A 10.695 0.316 -10.480 1.000 1 A 95.310 1 ATOM 2135 H HE1 . MET 129 129 ? A 12.274 -1.763 -8.755 1.000 1 A 95.310 1 ATOM 2136 H HE2 . MET 129 129 ? A 12.185 -3.297 -9.647 1.000 1 A 95.310 1 ATOM 2137 H HE3 . MET 129 129 ? A 12.534 -1.786 -10.521 1.000 1 A 95.310 1 ATOM 2138 N N . LYS 130 130 ? A 6.015 1.626 -8.697 1.000 1 A 96.850 1 ATOM 2139 C CA . LYS 130 130 ? A 4.608 2.043 -8.809 1.000 1 A 96.850 1 ATOM 2140 C C . LYS 130 130 ? A 4.432 3.557 -8.660 1.000 1 A 96.850 1 ATOM 2141 O O . LYS 130 130 ? A 3.694 4.160 -9.440 1.000 1 A 96.850 1 ATOM 2142 C CB . LYS 130 130 ? A 3.758 1.291 -7.771 1.000 1 A 96.850 1 ATOM 2143 C CG . LYS 130 130 ? A 3.600 -0.212 -8.040 1.000 1 A 96.850 1 ATOM 2144 C CD . LYS 130 130 ? A 2.935 -0.465 -9.398 1.000 1 A 96.850 1 ATOM 2145 C CE . LYS 130 130 ? A 2.201 -1.808 -9.415 1.000 1 A 96.850 1 ATOM 2146 N NZ . LYS 130 130 ? A 0.970 -1.687 -10.228 1.000 1 A 96.850 1 ATOM 2147 H H . LYS 130 130 ? A 6.291 1.003 -7.951 1.000 1 A 96.850 1 ATOM 2148 H HA . LYS 130 130 ? A 4.253 1.812 -9.813 1.000 1 A 96.850 1 ATOM 2149 H HB2 . LYS 130 130 ? A 4.187 1.418 -6.777 1.000 1 A 96.850 1 ATOM 2150 H HB3 . LYS 130 130 ? A 2.764 1.737 -7.746 1.000 1 A 96.850 1 ATOM 2151 H HG2 . LYS 130 130 ? A 4.568 -0.712 -8.006 1.000 1 A 96.850 1 ATOM 2152 H HG3 . LYS 130 130 ? A 2.974 -0.619 -7.247 1.000 1 A 96.850 1 ATOM 2153 H HD2 . LYS 130 130 ? A 2.227 0.341 -9.587 1.000 1 A 96.850 1 ATOM 2154 H HD3 . LYS 130 130 ? A 3.687 -0.449 -10.187 1.000 1 A 96.850 1 ATOM 2155 H HE2 . LYS 130 130 ? A 2.862 -2.585 -9.800 1.000 1 A 96.850 1 ATOM 2156 H HE3 . LYS 130 130 ? A 1.925 -2.068 -8.393 1.000 1 A 96.850 1 ATOM 2157 H HZ1 . LYS 130 130 ? A 0.439 -0.902 -9.879 1.000 1 A 96.850 1 ATOM 2158 H HZ2 . LYS 130 130 ? A 0.391 -2.510 -10.142 1.000 1 A 96.850 1 ATOM 2159 H HZ3 . LYS 130 130 ? A 1.188 -1.501 -11.196 1.000 1 A 96.850 1 ATOM 2160 N N . ALA 131 131 ? A 5.134 4.177 -7.710 1.000 1 A 95.470 1 ATOM 2161 C CA . ALA 131 131 ? A 5.161 5.632 -7.563 1.000 1 A 95.470 1 ATOM 2162 C C . ALA 131 131 ? A 5.758 6.315 -8.803 1.000 1 A 95.470 1 ATOM 2163 O O . ALA 131 131 ? A 5.173 7.273 -9.312 1.000 1 A 95.470 1 ATOM 2164 C CB . ALA 131 131 ? A 5.935 6.005 -6.291 1.000 1 A 95.470 1 ATOM 2165 H H . ALA 131 131 ? A 5.702 3.617 -7.091 1.000 1 A 95.470 1 ATOM 2166 H HA . ALA 131 131 ? A 4.138 5.994 -7.464 1.000 1 A 95.470 1 ATOM 2167 H HB1 . ALA 131 131 ? A 6.937 5.576 -6.312 1.000 1 A 95.470 1 ATOM 2168 H HB2 . ALA 131 131 ? A 5.409 5.646 -5.406 1.000 1 A 95.470 1 ATOM 2169 H HB3 . ALA 131 131 ? A 6.029 7.089 -6.222 1.000 1 A 95.470 1 ATOM 2170 N N . ALA 132 132 ? A 6.867 5.788 -9.326 1.000 1 A 92.630 1 ATOM 2171 C CA . ALA 132 132 ? A 7.539 6.323 -10.503 1.000 1 A 92.630 1 ATOM 2172 C C . ALA 132 132 ? A 6.673 6.266 -11.772 1.000 1 A 92.630 1 ATOM 2173 O O . ALA 132 132 ? A 6.534 7.277 -12.454 1.000 1 A 92.630 1 ATOM 2174 C CB . ALA 132 132 ? A 8.850 5.569 -10.688 1.000 1 A 92.630 1 ATOM 2175 H H . ALA 132 132 ? A 7.316 5.025 -8.840 1.000 1 A 92.630 1 ATOM 2176 H HA . ALA 132 132 ? A 7.781 7.370 -10.318 1.000 1 A 92.630 1 ATOM 2177 H HB1 . ALA 132 132 ? A 8.671 4.511 -10.877 1.000 1 A 92.630 1 ATOM 2178 H HB2 . ALA 132 132 ? A 9.365 5.997 -11.548 1.000 1 A 92.630 1 ATOM 2179 H HB3 . ALA 132 132 ? A 9.478 5.685 -9.804 1.000 1 A 92.630 1 ATOM 2180 N N . ILE 133 133 ? A 6.006 5.133 -12.030 1.000 1 A 94.230 1 ATOM 2181 C CA . ILE 133 133 ? A 5.054 4.946 -13.145 1.000 1 A 94.230 1 ATOM 2182 C C . ILE 133 133 ? A 3.930 5.993 -13.109 1.000 1 A 94.230 1 ATOM 2183 O O . ILE 133 133 ? A 3.408 6.403 -14.146 1.000 1 A 94.230 1 ATOM 2184 C CB . ILE 133 133 ? A 4.465 3.510 -13.079 1.000 1 A 94.230 1 ATOM 2185 C CG1 . ILE 133 133 ? A 5.538 2.469 -13.466 1.000 1 A 94.230 1 ATOM 2186 C CG2 . ILE 133 133 ? A 3.215 3.319 -13.965 1.000 1 A 94.230 1 ATOM 2187 C CD1 . ILE 133 133 ? A 5.170 1.016 -13.136 1.000 1 A 94.230 1 ATOM 2188 H H . ILE 133 133 ? A 6.207 4.337 -11.441 1.000 1 A 94.230 1 ATOM 2189 H HA . ILE 133 133 ? A 5.584 5.075 -14.088 1.000 1 A 94.230 1 ATOM 2190 H HB . ILE 133 133 ? A 4.162 3.320 -12.049 1.000 1 A 94.230 1 ATOM 2191 H HG12 . ILE 133 133 ? A 6.459 2.690 -12.927 1.000 1 A 94.230 1 ATOM 2192 H HG13 . ILE 133 133 ? A 5.752 2.550 -14.531 1.000 1 A 94.230 1 ATOM 2193 H HG21 . ILE 133 133 ? A 2.402 3.962 -13.629 1.000 1 A 94.230 1 ATOM 2194 H HG22 . ILE 133 133 ? A 2.855 2.292 -13.906 1.000 1 A 94.230 1 ATOM 2195 H HG23 . ILE 133 133 ? A 3.449 3.552 -15.004 1.000 1 A 94.230 1 ATOM 2196 H HD11 . ILE 133 133 ? A 6.039 0.380 -13.308 1.000 1 A 94.230 1 ATOM 2197 H HD12 . ILE 133 133 ? A 4.879 0.933 -12.089 1.000 1 A 94.230 1 ATOM 2198 H HD13 . ILE 133 133 ? A 4.359 0.665 -13.775 1.000 1 A 94.230 1 ATOM 2199 N N . ARG 134 134 ? A 3.523 6.422 -11.910 1.000 1 A 95.270 1 ATOM 2200 C CA . ARG 134 134 ? A 2.433 7.385 -11.697 1.000 1 A 95.270 1 ATOM 2201 C C . ARG 134 134 ? A 2.902 8.826 -11.492 1.000 1 A 95.270 1 ATOM 2202 O O . ARG 134 134 ? A 2.064 9.666 -11.152 1.000 1 A 95.270 1 ATOM 2203 C CB . ARG 134 134 ? A 1.565 6.898 -10.526 1.000 1 A 95.270 1 ATOM 2204 C CG . ARG 134 134 ? A 0.836 5.584 -10.800 1.000 1 A 95.270 1 ATOM 2205 C CD . ARG 134 134 ? A -0.102 5.664 -12.004 1.000 1 A 95.270 1 ATOM 2206 N NE . ARG 134 134 ? A -0.969 4.482 -12.028 1.000 1 A 95.270 1 ATOM 2207 C CZ . ARG 134 134 ? A -1.830 4.127 -12.950 1.000 1 A 95.270 1 ATOM 2208 N NH1 . ARG 134 134 ? A -2.058 4.846 -14.018 1.000 1 A 95.270 1 ATOM 2209 N NH2 . ARG 134 134 ? A -2.466 3.012 -12.766 1.000 1 A 95.270 1 ATOM 2210 H H . ARG 134 134 ? A 4.010 6.058 -11.103 1.000 1 A 95.270 1 ATOM 2211 H HA . ARG 134 134 ? A 1.829 7.439 -12.603 1.000 1 A 95.270 1 ATOM 2212 H HB2 . ARG 134 134 ? A 0.816 7.650 -10.281 1.000 1 A 95.270 1 ATOM 2213 H HB3 . ARG 134 134 ? A 2.201 6.751 -9.653 1.000 1 A 95.270 1 ATOM 2214 H HG2 . ARG 134 134 ? A 1.554 4.778 -10.955 1.000 1 A 95.270 1 ATOM 2215 H HG3 . ARG 134 134 ? A 0.243 5.352 -9.916 1.000 1 A 95.270 1 ATOM 2216 H HD2 . ARG 134 134 ? A 0.492 5.704 -12.917 1.000 1 A 95.270 1 ATOM 2217 H HD3 . ARG 134 134 ? A -0.713 6.563 -11.927 1.000 1 A 95.270 1 ATOM 2218 H HE . ARG 134 134 ? A -0.887 3.830 -11.261 1.000 1 A 95.270 1 ATOM 2219 H HH11 . ARG 134 134 ? A -2.683 4.507 -14.736 1.000 1 A 95.270 1 ATOM 2220 H HH12 . ARG 134 134 ? A -1.471 5.650 -14.191 1.000 1 A 95.270 1 ATOM 2221 H HH21 . ARG 134 134 ? A -3.102 2.630 -13.452 1.000 1 A 95.270 1 ATOM 2222 H HH22 . ARG 134 134 ? A -2.234 2.507 -11.923 1.000 1 A 95.270 1 ATOM 2223 N N . GLY 135 135 ? A 4.199 9.103 -11.632 1.000 1 A 92.440 1 ATOM 2224 C CA . GLY 135 135 ? A 4.752 10.439 -11.419 1.000 1 A 92.440 1 ATOM 2225 C C . GLY 135 135 ? A 4.606 10.941 -9.978 1.000 1 A 92.440 1 ATOM 2226 O O . GLY 135 135 ? A 4.461 12.137 -9.750 1.000 1 A 92.440 1 ATOM 2227 H H . GLY 135 135 ? A 4.819 8.381 -11.971 1.000 1 A 92.440 1 ATOM 2228 H HA2 . GLY 135 135 ? A 5.810 10.423 -11.682 1.000 1 A 92.440 1 ATOM 2229 H HA3 . GLY 135 135 ? A 4.249 11.145 -12.080 1.000 1 A 92.440 1 ATOM 2230 N N . ARG 136 136 ? A 4.574 10.048 -8.979 1.000 1 A 93.640 1 ATOM 2231 C CA . ARG 136 136 ? A 4.384 10.400 -7.560 1.000 1 A 93.640 1 ATOM 2232 C C . ARG 136 136 ? A 5.723 10.670 -6.878 1.000 1 A 93.640 1 ATOM 2233 O O . ARG 136 136 ? A 6.203 9.837 -6.114 1.000 1 A 93.640 1 ATOM 2234 C CB . ARG 136 136 ? A 3.573 9.313 -6.829 1.000 1 A 93.640 1 ATOM 2235 C CG . ARG 136 136 ? A 2.215 8.993 -7.449 1.000 1 A 93.640 1 ATOM 2236 C CD . ARG 136 136 ? A 1.298 10.210 -7.470 1.000 1 A 93.640 1 ATOM 2237 N NE . ARG 136 136 ? A 0.004 9.842 -8.064 1.000 1 A 93.640 1 ATOM 2238 C CZ . ARG 136 136 ? A -0.612 10.503 -9.017 1.000 1 A 93.640 1 ATOM 2239 N NH1 . ARG 136 136 ? A -0.233 11.692 -9.400 1.000 1 A 93.640 1 ATOM 2240 N NH2 . ARG 136 136 ? A -1.632 9.953 -9.610 1.000 1 A 93.640 1 ATOM 2241 H H . ARG 136 136 ? A 4.746 9.081 -9.216 1.000 1 A 93.640 1 ATOM 2242 H HA . ARG 136 136 ? A 3.837 11.341 -7.497 1.000 1 A 93.640 1 ATOM 2243 H HB2 . ARG 136 136 ? A 4.150 8.388 -6.808 1.000 1 A 93.640 1 ATOM 2244 H HB3 . ARG 136 136 ? A 3.409 9.641 -5.803 1.000 1 A 93.640 1 ATOM 2245 H HG2 . ARG 136 136 ? A 1.736 8.205 -6.869 1.000 1 A 93.640 1 ATOM 2246 H HG3 . ARG 136 136 ? A 2.363 8.637 -8.469 1.000 1 A 93.640 1 ATOM 2247 H HD2 . ARG 136 136 ? A 1.155 10.565 -6.450 1.000 1 A 93.640 1 ATOM 2248 H HD3 . ARG 136 136 ? A 1.784 10.994 -8.051 1.000 1 A 93.640 1 ATOM 2249 H HE . ARG 136 136 ? A -0.336 8.920 -7.832 1.000 1 A 93.640 1 ATOM 2250 H HH11 . ARG 136 136 ? A 0.626 12.040 -9.000 1.000 1 A 93.640 1 ATOM 2251 H HH12 . ARG 136 136 ? A -0.448 12.024 -10.329 1.000 1 A 93.640 1 ATOM 2252 H HH21 . ARG 136 136 ? A -1.932 10.334 -10.496 1.000 1 A 93.640 1 ATOM 2253 H HH22 . ARG 136 136 ? A -1.827 8.990 -9.375 1.000 1 A 93.640 1 ATOM 2254 N N . SER 137 137 ? A 6.309 11.836 -7.145 1.000 1 A 88.680 1 ATOM 2255 C CA . SER 137 137 ? A 7.620 12.231 -6.607 1.000 1 A 88.680 1 ATOM 2256 C C . SER 137 137 ? A 7.681 12.152 -5.080 1.000 1 A 88.680 1 ATOM 2257 O O . SER 137 137 ? A 8.554 11.477 -4.543 1.000 1 A 88.680 1 ATOM 2258 C CB . SER 137 137 ? A 7.973 13.643 -7.075 1.000 1 A 88.680 1 ATOM 2259 O OG . SER 137 137 ? A 6.938 14.552 -6.745 1.000 1 A 88.680 1 ATOM 2260 H H . SER 137 137 ? A 5.855 12.474 -7.784 1.000 1 A 88.680 1 ATOM 2261 H HA . SER 137 137 ? A 8.380 11.554 -6.996 1.000 1 A 88.680 1 ATOM 2262 H HB2 . SER 137 137 ? A 8.908 13.959 -6.614 1.000 1 A 88.680 1 ATOM 2263 H HB3 . SER 137 137 ? A 8.100 13.626 -8.158 1.000 1 A 88.680 1 ATOM 2264 H HG . SER 137 137 ? A 7.257 15.425 -6.988 1.000 1 A 88.680 1 ATOM 2265 N N . LEU 138 138 ? A 6.699 12.731 -4.382 1.000 1 A 90.110 1 ATOM 2266 C CA . LEU 138 138 ? A 6.637 12.681 -2.917 1.000 1 A 90.110 1 ATOM 2267 C C . LEU 138 138 ? A 6.554 11.242 -2.395 1.000 1 A 90.110 1 ATOM 2268 O O . LEU 138 138 ? A 7.335 10.869 -1.532 1.000 1 A 90.110 1 ATOM 2269 C CB . LEU 138 138 ? A 5.467 13.535 -2.400 1.000 1 A 90.110 1 ATOM 2270 C CG . LEU 138 138 ? A 5.619 15.043 -2.675 1.000 1 A 90.110 1 ATOM 2271 C CD1 . LEU 138 138 ? A 4.381 15.779 -2.169 1.000 1 A 90.110 1 ATOM 2272 C CD2 . LEU 138 138 ? A 6.844 15.645 -1.986 1.000 1 A 90.110 1 ATOM 2273 H H . LEU 138 138 ? A 6.097 13.368 -4.882 1.000 1 A 90.110 1 ATOM 2274 H HA . LEU 138 138 ? A 7.568 13.085 -2.517 1.000 1 A 90.110 1 ATOM 2275 H HB2 . LEU 138 138 ? A 4.542 13.180 -2.854 1.000 1 A 90.110 1 ATOM 2276 H HB3 . LEU 138 138 ? A 5.387 13.391 -1.323 1.000 1 A 90.110 1 ATOM 2277 H HG . LEU 138 138 ? A 5.697 15.209 -3.749 1.000 1 A 90.110 1 ATOM 2278 H HD11 . LEU 138 138 ? A 4.321 15.681 -1.085 1.000 1 A 90.110 1 ATOM 2279 H HD12 . LEU 138 138 ? A 3.485 15.370 -2.635 1.000 1 A 90.110 1 ATOM 2280 H HD13 . LEU 138 138 ? A 4.461 16.837 -2.420 1.000 1 A 90.110 1 ATOM 2281 H HD21 . LEU 138 138 ? A 6.849 16.728 -2.116 1.000 1 A 90.110 1 ATOM 2282 H HD22 . LEU 138 138 ? A 6.831 15.416 -0.921 1.000 1 A 90.110 1 ATOM 2283 H HD23 . LEU 138 138 ? A 7.762 15.259 -2.430 1.000 1 A 90.110 1 ATOM 2284 N N . ASN 139 139 ? A 5.698 10.395 -2.975 1.000 1 A 93.600 1 ATOM 2285 C CA . ASN 139 139 ? A 5.605 8.991 -2.559 1.000 1 A 93.600 1 ATOM 2286 C C . ASN 139 139 ? A 6.922 8.241 -2.765 1.000 1 A 93.600 1 ATOM 2287 O O . ASN 139 139 ? A 7.312 7.428 -1.929 1.000 1 A 93.600 1 ATOM 2288 C CB . ASN 139 139 ? A 4.520 8.258 -3.360 1.000 1 A 93.600 1 ATOM 2289 C CG . ASN 139 139 ? A 3.109 8.726 -3.098 1.000 1 A 93.600 1 ATOM 2290 O OD1 . ASN 139 139 ? A 2.840 9.699 -2.426 1.000 1 A 93.600 1 ATOM 2291 N ND2 . ASN 139 139 ? A 2.153 8.065 -3.688 1.000 1 A 93.600 1 ATOM 2292 H H . ASN 139 139 ? A 5.079 10.745 -3.692 1.000 1 A 93.600 1 ATOM 2293 H HA . ASN 139 139 ? A 5.371 8.961 -1.495 1.000 1 A 93.600 1 ATOM 2294 H HB2 . ASN 139 139 ? A 4.733 8.349 -4.425 1.000 1 A 93.600 1 ATOM 2295 H HB3 . ASN 139 139 ? A 4.566 7.196 -3.117 1.000 1 A 93.600 1 ATOM 2296 H HD21 . ASN 139 139 ? A 1.220 8.446 -3.624 1.000 1 A 93.600 1 ATOM 2297 H HD22 . ASN 139 139 ? A 2.365 7.321 -4.337 1.000 1 A 93.600 1 ATOM 2298 N N . MET 140 140 ? A 7.591 8.499 -3.890 1.000 1 A 90.400 1 ATOM 2299 C CA . MET 140 140 ? A 8.884 7.911 -4.212 1.000 1 A 90.400 1 ATOM 2300 C C . MET 140 140 ? A 9.935 8.308 -3.169 1.000 1 A 90.400 1 ATOM 2301 O O . MET 140 140 ? A 10.615 7.434 -2.634 1.000 1 A 90.400 1 ATOM 2302 C CB . MET 140 140 ? A 9.261 8.335 -5.637 1.000 1 A 90.400 1 ATOM 2303 C CG . MET 140 140 ? A 10.588 7.738 -6.080 1.000 1 A 90.400 1 ATOM 2304 S SD . MET 140 140 ? A 10.876 7.881 -7.854 1.000 1 A 90.400 1 ATOM 2305 C CE . MET 140 140 ? A 12.363 6.867 -7.936 1.000 1 A 90.400 1 ATOM 2306 H H . MET 140 140 ? A 7.213 9.186 -4.526 1.000 1 A 90.400 1 ATOM 2307 H HA . MET 140 140 ? A 8.792 6.826 -4.186 1.000 1 A 90.400 1 ATOM 2308 H HB2 . MET 140 140 ? A 8.483 7.988 -6.318 1.000 1 A 90.400 1 ATOM 2309 H HB3 . MET 140 140 ? A 9.327 9.420 -5.715 1.000 1 A 90.400 1 ATOM 2310 H HG2 . MET 140 140 ? A 10.587 6.678 -5.825 1.000 1 A 90.400 1 ATOM 2311 H HG3 . MET 140 140 ? A 11.402 8.226 -5.544 1.000 1 A 90.400 1 ATOM 2312 H HE1 . MET 140 140 ? A 12.137 5.850 -7.616 1.000 1 A 90.400 1 ATOM 2313 H HE2 . MET 140 140 ? A 12.731 6.846 -8.961 1.000 1 A 90.400 1 ATOM 2314 H HE3 . MET 140 140 ? A 13.110 7.287 -7.262 1.000 1 A 90.400 1 ATOM 2315 N N . LEU 141 141 ? A 10.010 9.594 -2.817 1.000 1 A 86.510 1 ATOM 2316 C CA . LEU 141 141 ? A 10.910 10.099 -1.779 1.000 1 A 86.510 1 ATOM 2317 C C . LEU 141 141 ? A 10.596 9.508 -0.403 1.000 1 A 86.510 1 ATOM 2318 O O . LEU 141 141 ? A 11.514 9.052 0.279 1.000 1 A 86.510 1 ATOM 2319 C CB . LEU 141 141 ? A 10.827 11.632 -1.729 1.000 1 A 86.510 1 ATOM 2320 C CG . LEU 141 141 ? A 11.411 12.337 -2.963 1.000 1 A 86.510 1 ATOM 2321 C CD1 . LEU 141 141 ? A 11.094 13.822 -2.866 1.000 1 A 86.510 1 ATOM 2322 C CD2 . LEU 141 141 ? A 12.927 12.158 -3.071 1.000 1 A 86.510 1 ATOM 2323 H H . LEU 141 141 ? A 9.408 10.257 -3.284 1.000 1 A 86.510 1 ATOM 2324 H HA . LEU 141 141 ? A 11.931 9.801 -2.020 1.000 1 A 86.510 1 ATOM 2325 H HB2 . LEU 141 141 ? A 9.783 11.922 -1.615 1.000 1 A 86.510 1 ATOM 2326 H HB3 . LEU 141 141 ? A 11.364 11.984 -0.848 1.000 1 A 86.510 1 ATOM 2327 H HG . LEU 141 141 ? A 10.955 11.944 -3.872 1.000 1 A 86.510 1 ATOM 2328 H HD11 . LEU 141 141 ? A 11.590 14.274 -2.007 1.000 1 A 86.510 1 ATOM 2329 H HD12 . LEU 141 141 ? A 11.444 14.318 -3.772 1.000 1 A 86.510 1 ATOM 2330 H HD13 . LEU 141 141 ? A 10.018 13.978 -2.793 1.000 1 A 86.510 1 ATOM 2331 H HD21 . LEU 141 141 ? A 13.304 12.773 -3.888 1.000 1 A 86.510 1 ATOM 2332 H HD22 . LEU 141 141 ? A 13.173 11.117 -3.282 1.000 1 A 86.510 1 ATOM 2333 H HD23 . LEU 141 141 ? A 13.409 12.475 -2.146 1.000 1 A 86.510 1 ATOM 2334 N N . SER 142 142 ? A 9.322 9.447 -0.006 1.000 1 A 88.210 1 ATOM 2335 C CA . SER 142 142 ? A 8.920 8.834 1.263 1.000 1 A 88.210 1 ATOM 2336 C C . SER 142 142 ? A 9.327 7.359 1.304 1.000 1 A 88.210 1 ATOM 2337 O O . SER 142 142 ? A 9.950 6.922 2.265 1.000 1 A 88.210 1 ATOM 2338 C CB . SER 142 142 ? A 7.412 8.974 1.500 1.000 1 A 88.210 1 ATOM 2339 O OG . SER 142 142 ? A 6.978 10.306 1.319 1.000 1 A 88.210 1 ATOM 2340 H H . SER 142 142 ? A 8.612 9.914 -0.551 1.000 1 A 88.210 1 ATOM 2341 H HA . SER 142 142 ? A 9.435 9.350 2.073 1.000 1 A 88.210 1 ATOM 2342 H HB2 . SER 142 142 ? A 6.881 8.348 0.782 1.000 1 A 88.210 1 ATOM 2343 H HB3 . SER 142 142 ? A 7.171 8.629 2.505 1.000 1 A 88.210 1 ATOM 2344 H HG . SER 142 142 ? A 6.895 10.799 2.138 1.000 1 A 88.210 1 ATOM 2345 N N . LEU 143 143 ? A 9.075 6.583 0.249 1.000 1 A 91.510 1 ATOM 2346 C CA . LEU 143 143 ? A 9.477 5.173 0.201 1.000 1 A 91.510 1 ATOM 2347 C C . LEU 143 143 ? A 10.994 4.993 0.329 1.000 1 A 91.510 1 ATOM 2348 O O . LEU 143 143 ? A 11.438 4.144 1.101 1.000 1 A 91.510 1 ATOM 2349 C CB . LEU 143 143 ? A 8.980 4.546 -1.106 1.000 1 A 91.510 1 ATOM 2350 C CG . LEU 143 143 ? A 7.469 4.294 -1.128 1.000 1 A 91.510 1 ATOM 2351 C CD1 . LEU 143 143 ? A 6.992 4.113 -2.566 1.000 1 A 91.510 1 ATOM 2352 C CD2 . LEU 143 143 ? A 7.113 3.026 -0.350 1.000 1 A 91.510 1 ATOM 2353 H H . LEU 143 143 ? A 8.599 6.986 -0.546 1.000 1 A 91.510 1 ATOM 2354 H HA . LEU 143 143 ? A 9.030 4.650 1.047 1.000 1 A 91.510 1 ATOM 2355 H HB2 . LEU 143 143 ? A 9.486 3.591 -1.243 1.000 1 A 91.510 1 ATOM 2356 H HB3 . LEU 143 143 ? A 9.255 5.204 -1.931 1.000 1 A 91.510 1 ATOM 2357 H HG . LEU 143 143 ? A 6.953 5.142 -0.678 1.000 1 A 91.510 1 ATOM 2358 H HD11 . LEU 143 143 ? A 7.510 3.266 -3.015 1.000 1 A 91.510 1 ATOM 2359 H HD12 . LEU 143 143 ? A 7.205 5.015 -3.139 1.000 1 A 91.510 1 ATOM 2360 H HD13 . LEU 143 143 ? A 5.915 3.941 -2.576 1.000 1 A 91.510 1 ATOM 2361 H HD21 . LEU 143 143 ? A 7.656 2.171 -0.754 1.000 1 A 91.510 1 ATOM 2362 H HD22 . LEU 143 143 ? A 7.393 3.145 0.697 1.000 1 A 91.510 1 ATOM 2363 H HD23 . LEU 143 143 ? A 6.042 2.838 -0.413 1.000 1 A 91.510 1 ATOM 2364 N N . ILE 144 144 ? A 11.785 5.801 -0.384 1.000 1 A 86.090 1 ATOM 2365 C CA . ILE 144 144 ? A 13.254 5.760 -0.312 1.000 1 A 86.090 1 ATOM 2366 C C . ILE 144 144 ? A 13.736 6.147 1.094 1.000 1 A 86.090 1 ATOM 2367 O O . ILE 144 144 ? A 14.582 5.461 1.667 1.000 1 A 86.090 1 ATOM 2368 C CB . ILE 144 144 ? A 13.868 6.662 -1.407 1.000 1 A 86.090 1 ATOM 2369 C CG1 . ILE 144 144 ? A 13.566 6.104 -2.818 1.000 1 A 86.090 1 ATOM 2370 C CG2 . ILE 144 144 ? A 15.391 6.770 -1.223 1.000 1 A 86.090 1 ATOM 2371 C CD1 . ILE 144 144 ? A 13.819 7.119 -3.941 1.000 1 A 86.090 1 ATOM 2372 H H . ILE 144 144 ? A 11.354 6.472 -1.003 1.000 1 A 86.090 1 ATOM 2373 H HA . ILE 144 144 ? A 13.587 4.738 -0.492 1.000 1 A 86.090 1 ATOM 2374 H HB . ILE 144 144 ? A 13.436 7.659 -1.318 1.000 1 A 86.090 1 ATOM 2375 H HG12 . ILE 144 144 ? A 12.523 5.794 -2.883 1.000 1 A 86.090 1 ATOM 2376 H HG13 . ILE 144 144 ? A 14.172 5.215 -2.994 1.000 1 A 86.090 1 ATOM 2377 H HG21 . ILE 144 144 ? A 15.626 7.270 -0.283 1.000 1 A 86.090 1 ATOM 2378 H HG22 . ILE 144 144 ? A 15.839 5.776 -1.220 1.000 1 A 86.090 1 ATOM 2379 H HG23 . ILE 144 144 ? A 15.833 7.355 -2.030 1.000 1 A 86.090 1 ATOM 2380 H HD11 . ILE 144 144 ? A 14.883 7.336 -4.037 1.000 1 A 86.090 1 ATOM 2381 H HD12 . ILE 144 144 ? A 13.467 6.703 -4.885 1.000 1 A 86.090 1 ATOM 2382 H HD13 . ILE 144 144 ? A 13.274 8.042 -3.740 1.000 1 A 86.090 1 ATOM 2383 N N . LYS 145 145 ? A 13.147 7.185 1.702 1.000 1 A 81.680 1 ATOM 2384 C CA . LYS 145 145 ? A 13.417 7.592 3.093 1.000 1 A 81.680 1 ATOM 2385 C C . LYS 145 145 ? A 13.172 6.450 4.084 1.000 1 A 81.680 1 ATOM 2386 O O . LYS 145 145 ? A 13.918 6.316 5.052 1.000 1 A 81.680 1 ATOM 2387 C CB . LYS 145 145 ? A 12.550 8.821 3.414 1.000 1 A 81.680 1 ATOM 2388 C CG . LYS 145 145 ? A 12.660 9.304 4.868 1.000 1 A 81.680 1 ATOM 2389 C CD . LYS 145 145 ? A 11.678 10.456 5.105 1.000 1 A 81.680 1 ATOM 2390 C CE . LYS 145 145 ? A 11.695 10.899 6.571 1.000 1 A 81.680 1 ATOM 2391 N NZ . LYS 145 145 ? A 10.679 11.957 6.810 1.000 1 A 81.680 1 ATOM 2392 H H . LYS 145 145 ? A 12.472 7.718 1.172 1.000 1 A 81.680 1 ATOM 2393 H HA . LYS 145 145 ? A 14.469 7.864 3.179 1.000 1 A 81.680 1 ATOM 2394 H HB2 . LYS 145 145 ? A 11.505 8.582 3.214 1.000 1 A 81.680 1 ATOM 2395 H HB3 . LYS 145 145 ? A 12.839 9.635 2.748 1.000 1 A 81.680 1 ATOM 2396 H HG2 . LYS 145 145 ? A 12.403 8.495 5.552 1.000 1 A 81.680 1 ATOM 2397 H HG3 . LYS 145 145 ? A 13.679 9.636 5.069 1.000 1 A 81.680 1 ATOM 2398 H HD2 . LYS 145 145 ? A 11.946 11.293 4.461 1.000 1 A 81.680 1 ATOM 2399 H HD3 . LYS 145 145 ? A 10.674 10.121 4.844 1.000 1 A 81.680 1 ATOM 2400 H HE2 . LYS 145 145 ? A 12.692 11.266 6.814 1.000 1 A 81.680 1 ATOM 2401 H HE3 . LYS 145 145 ? A 11.488 10.031 7.197 1.000 1 A 81.680 1 ATOM 2402 H HZ1 . LYS 145 145 ? A 9.756 11.624 6.568 1.000 1 A 81.680 1 ATOM 2403 H HZ2 . LYS 145 145 ? A 10.670 12.253 7.775 1.000 1 A 81.680 1 ATOM 2404 H HZ3 . LYS 145 145 ? A 10.858 12.762 6.226 1.000 1 A 81.680 1 ATOM 2405 N N . PHE 146 146 ? A 12.161 5.619 3.832 1.000 1 A 84.730 1 ATOM 2406 C CA . PHE 146 146 ? A 11.841 4.422 4.616 1.000 1 A 84.730 1 ATOM 2407 C C . PHE 146 146 ? A 12.580 3.151 4.140 1.000 1 A 84.730 1 ATOM 2408 O O . PHE 146 146 ? A 12.199 2.037 4.498 1.000 1 A 84.730 1 ATOM 2409 C CB . PHE 146 146 ? A 10.313 4.276 4.723 1.000 1 A 84.730 1 ATOM 2410 C CG . PHE 146 146 ? A 9.683 5.218 5.737 1.000 1 A 84.730 1 ATOM 2411 C CD1 . PHE 146 146 ? A 9.656 4.859 7.097 1.000 1 A 84.730 1 ATOM 2412 C CD2 . PHE 146 146 ? A 9.087 6.431 5.343 1.000 1 A 84.730 1 ATOM 2413 C CE1 . PHE 146 146 ? A 9.049 5.707 8.042 1.000 1 A 84.730 1 ATOM 2414 C CE2 . PHE 146 146 ? A 8.485 7.283 6.281 1.000 1 A 84.730 1 ATOM 2415 C CZ . PHE 146 146 ? A 8.465 6.920 7.635 1.000 1 A 84.730 1 ATOM 2416 H H . PHE 146 146 ? A 11.575 5.830 3.036 1.000 1 A 84.730 1 ATOM 2417 H HA . PHE 146 146 ? A 12.206 4.580 5.631 1.000 1 A 84.730 1 ATOM 2418 H HB2 . PHE 146 146 ? A 9.865 4.428 3.741 1.000 1 A 84.730 1 ATOM 2419 H HB3 . PHE 146 146 ? A 10.068 3.260 5.032 1.000 1 A 84.730 1 ATOM 2420 H HD1 . PHE 146 146 ? A 10.085 3.921 7.417 1.000 1 A 84.730 1 ATOM 2421 H HD2 . PHE 146 146 ? A 9.037 6.704 4.299 1.000 1 A 84.730 1 ATOM 2422 H HE1 . PHE 146 146 ? A 9.016 5.411 9.080 1.000 1 A 84.730 1 ATOM 2423 H HE2 . PHE 146 146 ? A 8.001 8.192 5.954 1.000 1 A 84.730 1 ATOM 2424 H HZ . PHE 146 146 ? A 7.975 7.555 8.359 1.000 1 A 84.730 1 ATOM 2425 N N . GLY 147 147 ? A 13.670 3.299 3.378 1.000 1 A 82.300 1 ATOM 2426 C CA . GLY 147 147 ? A 14.604 2.219 3.048 1.000 1 A 82.300 1 ATOM 2427 C C . GLY 147 147 ? A 14.239 1.392 1.816 1.000 1 A 82.300 1 ATOM 2428 O O . GLY 147 147 ? A 14.789 0.306 1.635 1.000 1 A 82.300 1 ATOM 2429 H H . GLY 147 147 ? A 13.914 4.225 3.057 1.000 1 A 82.300 1 ATOM 2430 H HA2 . GLY 147 147 ? A 15.583 2.662 2.865 1.000 1 A 82.300 1 ATOM 2431 H HA3 . GLY 147 147 ? A 14.692 1.541 3.897 1.000 1 A 82.300 1 ATOM 2432 N N . ALA 148 148 ? A 13.316 1.859 0.974 1.000 1 A 87.610 1 ATOM 2433 C CA . ALA 148 148 ? A 13.065 1.209 -0.305 1.000 1 A 87.610 1 ATOM 2434 C C . ALA 148 148 ? A 14.239 1.433 -1.272 1.000 1 A 87.610 1 ATOM 2435 O O . ALA 148 148 ? A 14.725 2.555 -1.401 1.000 1 A 87.610 1 ATOM 2436 C CB . ALA 148 148 ? A 11.747 1.713 -0.880 1.000 1 A 87.610 1 ATOM 2437 H H . ALA 148 148 ? A 12.887 2.755 1.156 1.000 1 A 87.610 1 ATOM 2438 H HA . ALA 148 148 ? A 12.968 0.137 -0.130 1.000 1 A 87.610 1 ATOM 2439 H HB1 . ALA 148 148 ? A 11.460 1.053 -1.698 1.000 1 A 87.610 1 ATOM 2440 H HB2 . ALA 148 148 ? A 11.875 2.734 -1.240 1.000 1 A 87.610 1 ATOM 2441 H HB3 . ALA 148 148 ? A 10.970 1.696 -0.117 1.000 1 A 87.610 1 ATOM 2442 N N . ASP 149 149 ? A 14.665 0.378 -1.969 1.000 1 A 85.500 1 ATOM 2443 C CA . ASP 149 149 ? A 15.736 0.446 -2.965 1.000 1 A 85.500 1 ATOM 2444 C C . ASP 149 149 ? A 15.171 0.861 -4.339 1.000 1 A 85.500 1 ATOM 2445 O O . ASP 149 149 ? A 14.456 0.078 -4.975 1.000 1 A 85.500 1 ATOM 2446 C CB . ASP 149 149 ? A 16.472 -0.900 -3.031 1.000 1 A 85.500 1 ATOM 2447 C CG . ASP 149 149 ? A 17.614 -0.911 -4.056 1.000 1 A 85.500 1 ATOM 2448 O OD1 . ASP 149 149 ? A 17.924 0.156 -4.643 1.000 1 A 85.500 1 ATOM 2449 O OD2 . ASP 149 149 ? A 18.168 -2.001 -4.287 1.000 1 A 85.500 1 ATOM 2450 H H . ASP 149 149 ? A 14.237 -0.524 -1.815 1.000 1 A 85.500 1 ATOM 2451 H HA . ASP 149 149 ? A 16.473 1.178 -2.634 1.000 1 A 85.500 1 ATOM 2452 H HB2 . ASP 149 149 ? A 15.761 -1.685 -3.287 1.000 1 A 85.500 1 ATOM 2453 H HB3 . ASP 149 149 ? A 16.886 -1.123 -2.048 1.000 1 A 85.500 1 ATOM 2454 N N . PRO 150 150 ? A 15.470 2.076 -4.831 1.000 1 A 84.480 1 ATOM 2455 C CA . PRO 150 150 ? A 15.003 2.527 -6.137 1.000 1 A 84.480 1 ATOM 2456 C C . PRO 150 150 ? A 15.806 1.927 -7.306 1.000 1 A 84.480 1 ATOM 2457 O O . PRO 150 150 ? A 15.410 2.096 -8.461 1.000 1 A 84.480 1 ATOM 2458 C CB . PRO 150 150 ? A 15.142 4.044 -6.065 1.000 1 A 84.480 1 ATOM 2459 C CG . PRO 150 150 ? A 16.400 4.227 -5.219 1.000 1 A 84.480 1 ATOM 2460 C CD . PRO 150 150 ? A 16.277 3.112 -4.193 1.000 1 A 84.480 1 ATOM 2461 H HA . PRO 150 150 ? A 13.954 2.263 -6.275 1.000 1 A 84.480 1 ATOM 2462 H HB2 . PRO 150 150 ? A 15.222 4.485 -7.058 1.000 1 A 84.480 1 ATOM 2463 H HB3 . PRO 150 150 ? A 14.293 4.472 -5.531 1.000 1 A 84.480 1 ATOM 2464 H HG2 . PRO 150 150 ? A 17.286 4.050 -5.828 1.000 1 A 84.480 1 ATOM 2465 H HG3 . PRO 150 150 ? A 16.433 5.207 -4.742 1.000 1 A 84.480 1 ATOM 2466 H HD2 . PRO 150 150 ? A 15.765 3.500 -3.312 1.000 1 A 84.480 1 ATOM 2467 H HD3 . PRO 150 150 ? A 17.267 2.742 -3.925 1.000 1 A 84.480 1 ATOM 2468 N N . THR 151 151 ? A 16.927 1.249 -7.029 1.000 1 A 85.770 1 ATOM 2469 C CA . THR 151 151 ? A 17.822 0.637 -8.024 1.000 1 A 85.770 1 ATOM 2470 C C . THR 151 151 ? A 17.492 -0.822 -8.325 1.000 1 A 85.770 1 ATOM 2471 O O . THR 151 151 ? A 18.028 -1.376 -9.290 1.000 1 A 85.770 1 ATOM 2472 C CB . THR 151 151 ? A 19.300 0.746 -7.620 1.000 1 A 85.770 1 ATOM 2473 O OG1 . THR 151 151 ? A 19.679 -0.163 -6.620 1.000 1 A 85.770 1 ATOM 2474 C CG2 . THR 151 151 ? A 19.708 2.146 -7.163 1.000 1 A 85.770 1 ATOM 2475 H H . THR 151 151 ? A 17.174 1.108 -6.059 1.000 1 A 85.770 1 ATOM 2476 H HA . THR 151 151 ? A 17.702 1.176 -8.964 1.000 1 A 85.770 1 ATOM 2477 H HB . THR 151 151 ? A 19.892 0.506 -8.503 1.000 1 A 85.770 1 ATOM 2478 H HG1 . THR 151 151 ? A 19.085 -0.093 -5.869 1.000 1 A 85.770 1 ATOM 2479 H HG21 . THR 151 151 ? A 19.240 2.377 -6.206 1.000 1 A 85.770 1 ATOM 2480 H HG22 . THR 151 151 ? A 20.790 2.181 -7.036 1.000 1 A 85.770 1 ATOM 2481 H HG23 . THR 151 151 ? A 19.407 2.882 -7.907 1.000 1 A 85.770 1 ATOM 2482 N N . GLN 152 152 ? A 16.594 -1.428 -7.542 1.000 1 A 88.940 1 ATOM 2483 C CA . GLN 152 152 ? A 16.043 -2.742 -7.841 1.000 1 A 88.940 1 ATOM 2484 C C . GLN 152 152 ? A 15.395 -2.727 -9.229 1.000 1 A 88.940 1 ATOM 2485 O O . GLN 152 152 ? A 14.796 -1.728 -9.623 1.000 1 A 88.940 1 ATOM 2486 C CB . GLN 152 152 ? A 15.061 -3.163 -6.734 1.000 1 A 88.940 1 ATOM 2487 C CG . GLN 152 152 ? A 14.540 -4.593 -6.962 1.000 1 A 88.940 1 ATOM 2488 C CD . GLN 152 152 ? A 13.957 -5.248 -5.714 1.000 1 A 88.940 1 ATOM 2489 O OE1 . GLN 152 152 ? A 13.544 -4.629 -4.749 1.000 1 A 88.940 1 ATOM 2490 N NE2 . GLN 152 152 ? A 13.900 -6.561 -5.685 1.000 1 A 88.940 1 ATOM 2491 H H . GLN 152 152 ? A 16.245 -0.932 -6.734 1.000 1 A 88.940 1 ATOM 2492 H HA . GLN 152 152 ? A 16.872 -3.449 -7.853 1.000 1 A 88.940 1 ATOM 2493 H HB2 . GLN 152 152 ? A 15.589 -3.128 -5.782 1.000 1 A 88.940 1 ATOM 2494 H HB3 . GLN 152 152 ? A 14.221 -2.470 -6.692 1.000 1 A 88.940 1 ATOM 2495 H HG2 . GLN 152 152 ? A 15.367 -5.216 -7.302 1.000 1 A 88.940 1 ATOM 2496 H HG3 . GLN 152 152 ? A 13.777 -4.588 -7.740 1.000 1 A 88.940 1 ATOM 2497 H HE21 . GLN 152 152 ? A 14.226 -7.096 -6.476 1.000 1 A 88.940 1 ATOM 2498 H HE22 . GLN 152 152 ? A 13.569 -6.968 -4.822 1.000 1 A 88.940 1 ATOM 2499 N N . LYS 153 153 ? A 15.525 -3.835 -9.961 1.000 1 A 92.200 1 ATOM 2500 C CA . LYS 153 153 ? A 14.956 -4.025 -11.299 1.000 1 A 92.200 1 ATOM 2501 C C . LYS 153 153 ? A 13.732 -4.931 -11.239 1.000 1 A 92.200 1 ATOM 2502 O O . LYS 153 153 ? A 13.739 -5.904 -10.483 1.000 1 A 92.200 1 ATOM 2503 C CB . LYS 153 153 ? A 16.022 -4.599 -12.239 1.000 1 A 92.200 1 ATOM 2504 C CG . LYS 153 153 ? A 17.137 -3.586 -12.529 1.000 1 A 92.200 1 ATOM 2505 C CD . LYS 153 153 ? A 18.162 -4.183 -13.499 1.000 1 A 92.200 1 ATOM 2506 C CE . LYS 153 153 ? A 19.127 -3.088 -13.961 1.000 1 A 92.200 1 ATOM 2507 N NZ . LYS 153 153 ? A 19.945 -3.549 -15.108 1.000 1 A 92.200 1 ATOM 2508 H H . LYS 153 153 ? A 16.000 -4.624 -9.547 1.000 1 A 92.200 1 ATOM 2509 H HA . LYS 153 153 ? A 14.629 -3.064 -11.696 1.000 1 A 92.200 1 ATOM 2510 H HB2 . LYS 153 153 ? A 16.445 -5.503 -11.802 1.000 1 A 92.200 1 ATOM 2511 H HB3 . LYS 153 153 ? A 15.540 -4.869 -13.179 1.000 1 A 92.200 1 ATOM 2512 H HG2 . LYS 153 153 ? A 17.641 -3.303 -11.604 1.000 1 A 92.200 1 ATOM 2513 H HG3 . LYS 153 153 ? A 16.692 -2.697 -12.975 1.000 1 A 92.200 1 ATOM 2514 H HD2 . LYS 153 153 ? A 18.710 -4.986 -13.005 1.000 1 A 92.200 1 ATOM 2515 H HD3 . LYS 153 153 ? A 17.637 -4.592 -14.362 1.000 1 A 92.200 1 ATOM 2516 H HE2 . LYS 153 153 ? A 18.530 -2.228 -14.266 1.000 1 A 92.200 1 ATOM 2517 H HE3 . LYS 153 153 ? A 19.754 -2.787 -13.122 1.000 1 A 92.200 1 ATOM 2518 H HZ1 . LYS 153 153 ? A 19.327 -3.785 -15.871 1.000 1 A 92.200 1 ATOM 2519 H HZ2 . LYS 153 153 ? A 20.552 -2.810 -15.433 1.000 1 A 92.200 1 ATOM 2520 H HZ3 . LYS 153 153 ? A 20.489 -4.365 -14.869 1.000 1 A 92.200 1 ATOM 2521 N N . ASP 154 154 ? A 12.704 -4.624 -12.028 1.000 1 A 95.380 1 ATOM 2522 C CA . ASP 154 154 ? A 11.566 -5.530 -12.199 1.000 1 A 95.380 1 ATOM 2523 C C . ASP 154 154 ? A 11.958 -6.777 -13.009 1.000 1 A 95.380 1 ATOM 2524 O O . ASP 154 154 ? A 12.978 -6.789 -13.702 1.000 1 A 95.380 1 ATOM 2525 C CB . ASP 154 154 ? A 10.357 -4.800 -12.797 1.000 1 A 95.380 1 ATOM 2526 C CG . ASP 154 154 ? A 10.464 -4.622 -14.308 1.000 1 A 95.380 1 ATOM 2527 O OD1 . ASP 154 154 ? A 9.996 -5.516 -15.045 1.000 1 A 95.380 1 ATOM 2528 O OD2 . ASP 154 154 ? A 10.985 -3.578 -14.740 1.000 1 A 95.380 1 ATOM 2529 H H . ASP 154 154 ? A 12.745 -3.788 -12.593 1.000 1 A 95.380 1 ATOM 2530 H HA . ASP 154 154 ? A 11.271 -5.873 -11.207 1.000 1 A 95.380 1 ATOM 2531 H HB2 . ASP 154 154 ? A 9.460 -5.380 -12.577 1.000 1 A 95.380 1 ATOM 2532 H HB3 . ASP 154 154 ? A 10.239 -3.828 -12.317 1.000 1 A 95.380 1 ATOM 2533 N N . TYR 155 155 ? A 11.156 -7.839 -12.917 1.000 1 A 96.900 1 ATOM 2534 C CA . TYR 155 155 ? A 11.504 -9.134 -13.512 1.000 1 A 96.900 1 ATOM 2535 C C . TYR 155 155 ? A 11.245 -9.210 -15.017 1.000 1 A 96.900 1 ATOM 2536 O O . TYR 155 155 ? A 11.796 -10.086 -15.677 1.000 1 A 96.900 1 ATOM 2537 C CB . TYR 155 155 ? A 10.751 -10.257 -12.780 1.000 1 A 96.900 1 ATOM 2538 C CG . TYR 155 155 ? A 10.970 -10.355 -11.277 1.000 1 A 96.900 1 ATOM 2539 C CD1 . TYR 155 155 ? A 12.138 -9.843 -10.669 1.000 1 A 96.900 1 ATOM 2540 C CD2 . TYR 155 155 ? A 9.993 -10.984 -10.480 1.000 1 A 96.900 1 ATOM 2541 C CE1 . TYR 155 155 ? A 12.313 -9.930 -9.278 1.000 1 A 96.900 1 ATOM 2542 C CE2 . TYR 155 155 ? A 10.160 -11.066 -9.083 1.000 1 A 96.900 1 ATOM 2543 C CZ . TYR 155 155 ? A 11.321 -10.538 -8.482 1.000 1 A 96.900 1 ATOM 2544 O OH . TYR 155 155 ? A 11.488 -10.607 -7.135 1.000 1 A 96.900 1 ATOM 2545 H H . TYR 155 155 ? A 10.287 -7.766 -12.408 1.000 1 A 96.900 1 ATOM 2546 H HA . TYR 155 155 ? A 12.574 -9.305 -13.391 1.000 1 A 96.900 1 ATOM 2547 H HB2 . TYR 155 155 ? A 9.684 -10.129 -12.967 1.000 1 A 96.900 1 ATOM 2548 H HB3 . TYR 155 155 ? A 11.046 -11.210 -13.218 1.000 1 A 96.900 1 ATOM 2549 H HD1 . TYR 155 155 ? A 12.908 -9.372 -11.262 1.000 1 A 96.900 1 ATOM 2550 H HD2 . TYR 155 155 ? A 9.109 -11.402 -10.938 1.000 1 A 96.900 1 ATOM 2551 H HE1 . TYR 155 155 ? A 13.207 -9.525 -8.827 1.000 1 A 96.900 1 ATOM 2552 H HE2 . TYR 155 155 ? A 9.407 -11.539 -8.471 1.000 1 A 96.900 1 ATOM 2553 H HH . TYR 155 155 ? A 12.363 -10.302 -6.885 1.000 1 A 96.900 1 ATOM 2554 N N . HIS 156 156 ? A 10.419 -8.317 -15.566 1.000 1 A 91.470 1 ATOM 2555 C CA . HIS 156 156 ? A 9.964 -8.403 -16.954 1.000 1 A 91.470 1 ATOM 2556 C C . HIS 156 156 ? A 10.792 -7.530 -17.888 1.000 1 A 91.470 1 ATOM 2557 O O . HIS 156 156 ? A 11.293 -8.007 -18.901 1.000 1 A 91.470 1 ATOM 2558 C CB . HIS 156 156 ? A 8.479 -8.033 -17.029 1.000 1 A 91.470 1 ATOM 2559 C CG . HIS 156 156 ? A 7.591 -9.054 -16.377 1.000 1 A 91.470 1 ATOM 2560 N ND1 . HIS 156 156 ? A 7.303 -10.308 -16.905 1.000 1 A 91.470 1 ATOM 2561 C CD2 . HIS 156 156 ? A 6.958 -8.920 -15.178 1.000 1 A 91.470 1 ATOM 2562 C CE1 . HIS 156 156 ? A 6.506 -10.912 -16.014 1.000 1 A 91.470 1 ATOM 2563 N NE2 . HIS 156 156 ? A 6.268 -10.098 -14.973 1.000 1 A 91.470 1 ATOM 2564 H H . HIS 156 156 ? A 10.105 -7.536 -15.009 1.000 1 A 91.470 1 ATOM 2565 H HA . HIS 156 156 ? A 10.070 -9.426 -17.314 1.000 1 A 91.470 1 ATOM 2566 H HB2 . HIS 156 156 ? A 8.190 -7.965 -18.078 1.000 1 A 91.470 1 ATOM 2567 H HB3 . HIS 156 156 ? A 8.315 -7.059 -16.568 1.000 1 A 91.470 1 ATOM 2568 H HD2 . HIS 156 156 ? A 7.043 -8.067 -14.522 1.000 1 A 91.470 1 ATOM 2569 H HE1 . HIS 156 156 ? A 6.107 -11.909 -16.127 1.000 1 A 91.470 1 ATOM 2570 H HE2 . HIS 156 156 ? A 5.676 -10.334 -14.189 1.000 1 A 91.470 1 ATOM 2571 N N . ARG 157 157 ? A 10.931 -6.242 -17.566 1.000 1 A 92.030 1 ATOM 2572 C CA . ARG 157 157 ? A 11.685 -5.277 -18.380 1.000 1 A 92.030 1 ATOM 2573 C C . ARG 157 157 ? A 13.106 -5.067 -17.883 1.000 1 A 92.030 1 ATOM 2574 O O . ARG 157 157 ? A 13.917 -4.495 -18.605 1.000 1 A 92.030 1 ATOM 2575 C CB . ARG 157 157 ? A 10.937 -3.941 -18.442 1.000 1 A 92.030 1 ATOM 2576 C CG . ARG 157 157 ? A 9.587 -4.083 -19.148 1.000 1 A 92.030 1 ATOM 2577 C CD . ARG 157 157 ? A 8.994 -2.697 -19.397 1.000 1 A 92.030 1 ATOM 2578 N NE . ARG 157 157 ? A 7.704 -2.804 -20.112 1.000 1 A 92.030 1 ATOM 2579 C CZ . ARG 157 157 ? A 7.444 -2.374 -21.333 1.000 1 A 92.030 1 ATOM 2580 N NH1 . ARG 157 157 ? A 8.321 -1.719 -22.040 1.000 1 A 92.030 1 ATOM 2581 N NH2 . ARG 157 157 ? A 6.283 -2.606 -21.879 1.000 1 A 92.030 1 ATOM 2582 H H . ARG 157 157 ? A 10.525 -5.932 -16.696 1.000 1 A 92.030 1 ATOM 2583 H HA . ARG 157 157 ? A 11.795 -5.662 -19.394 1.000 1 A 92.030 1 ATOM 2584 H HB2 . ARG 157 157 ? A 10.788 -3.550 -17.435 1.000 1 A 92.030 1 ATOM 2585 H HB3 . ARG 157 157 ? A 11.549 -3.231 -19.000 1.000 1 A 92.030 1 ATOM 2586 H HG2 . ARG 157 157 ? A 9.731 -4.588 -20.103 1.000 1 A 92.030 1 ATOM 2587 H HG3 . ARG 157 157 ? A 8.906 -4.667 -18.529 1.000 1 A 92.030 1 ATOM 2588 H HD2 . ARG 157 157 ? A 8.856 -2.197 -18.439 1.000 1 A 92.030 1 ATOM 2589 H HD3 . ARG 157 157 ? A 9.717 -2.108 -19.961 1.000 1 A 92.030 1 ATOM 2590 H HE . ARG 157 157 ? A 6.980 -3.327 -19.639 1.000 1 A 92.030 1 ATOM 2591 H HH11 . ARG 157 157 ? A 8.112 -1.375 -22.967 1.000 1 A 92.030 1 ATOM 2592 H HH12 . ARG 157 157 ? A 9.213 -1.502 -21.619 1.000 1 A 92.030 1 ATOM 2593 H HH21 . ARG 157 157 ? A 5.595 -3.162 -21.390 1.000 1 A 92.030 1 ATOM 2594 H HH22 . ARG 157 157 ? A 6.114 -2.315 -22.831 1.000 1 A 92.030 1 ATOM 2595 N N . GLY 158 158 ? A 13.406 -5.485 -16.654 1.000 1 A 94.190 1 ATOM 2596 C CA . GLY 158 158 ? A 14.667 -5.143 -16.007 1.000 1 A 94.190 1 ATOM 2597 C C . GLY 158 158 ? A 14.787 -3.645 -15.707 1.000 1 A 94.190 1 ATOM 2598 O O . GLY 158 158 ? A 15.908 -3.143 -15.601 1.000 1 A 94.190 1 ATOM 2599 H H . GLY 158 158 ? A 12.694 -5.953 -16.111 1.000 1 A 94.190 1 ATOM 2600 H HA2 . GLY 158 158 ? A 15.494 -5.433 -16.655 1.000 1 A 94.190 1 ATOM 2601 H HA3 . GLY 158 158 ? A 14.743 -5.696 -15.071 1.000 1 A 94.190 1 ATOM 2602 N N . PHE 159 159 ? A 13.662 -2.931 -15.603 1.000 1 A 92.300 1 ATOM 2603 C CA . PHE 159 159 ? A 13.622 -1.494 -15.362 1.000 1 A 92.300 1 ATOM 2604 C C . PHE 159 159 ? A 13.691 -1.203 -13.866 1.000 1 A 92.300 1 ATOM 2605 O O . PHE 159 159 ? A 13.044 -1.849 -13.039 1.000 1 A 92.300 1 ATOM 2606 C CB . PHE 159 159 ? A 12.362 -0.878 -15.997 1.000 1 A 92.300 1 ATOM 2607 C CG . PHE 159 159 ? A 12.369 -0.639 -17.495 1.000 1 A 92.300 1 ATOM 2608 C CD1 . PHE 159 159 ? A 13.394 -1.127 -18.331 1.000 1 A 92.300 1 ATOM 2609 C CD2 . PHE 159 159 ? A 11.307 0.093 -18.060 1.000 1 A 92.300 1 ATOM 2610 C CE1 . PHE 159 159 ? A 13.362 -0.873 -19.712 1.000 1 A 92.300 1 ATOM 2611 C CE2 . PHE 159 159 ? A 11.275 0.346 -19.442 1.000 1 A 92.300 1 ATOM 2612 C CZ . PHE 159 159 ? A 12.307 -0.131 -20.267 1.000 1 A 92.300 1 ATOM 2613 H H . PHE 159 159 ? A 12.772 -3.409 -15.586 1.000 1 A 92.300 1 ATOM 2614 H HA . PHE 159 159 ? A 14.493 -1.025 -15.818 1.000 1 A 92.300 1 ATOM 2615 H HB2 . PHE 159 159 ? A 12.159 0.077 -15.512 1.000 1 A 92.300 1 ATOM 2616 H HB3 . PHE 159 159 ? A 11.502 -1.513 -15.785 1.000 1 A 92.300 1 ATOM 2617 H HD1 . PHE 159 159 ? A 14.219 -1.701 -17.935 1.000 1 A 92.300 1 ATOM 2618 H HD2 . PHE 159 159 ? A 10.525 0.478 -17.422 1.000 1 A 92.300 1 ATOM 2619 H HE1 . PHE 159 159 ? A 14.159 -1.240 -20.341 1.000 1 A 92.300 1 ATOM 2620 H HE2 . PHE 159 159 ? A 10.472 0.934 -19.862 1.000 1 A 92.300 1 ATOM 2621 H HZ . PHE 159 159 ? A 12.303 0.087 -21.325 1.000 1 A 92.300 1 ATOM 2622 N N . THR 160 160 ? A 14.476 -0.192 -13.521 1.000 1 A 89.820 1 ATOM 2623 C CA . THR 160 160 ? A 14.478 0.443 -12.205 1.000 1 A 89.820 1 ATOM 2624 C C . THR 160 160 ? A 13.306 1.411 -12.067 1.000 1 A 89.820 1 ATOM 2625 O O . THR 160 160 ? A 12.605 1.713 -13.035 1.000 1 A 89.820 1 ATOM 2626 C CB . THR 160 160 ? A 15.804 1.167 -11.939 1.000 1 A 89.820 1 ATOM 2627 O OG1 . THR 160 160 ? A 15.962 2.265 -12.804 1.000 1 A 89.820 1 ATOM 2628 C CG2 . THR 160 160 ? A 17.019 0.254 -12.091 1.000 1 A 89.820 1 ATOM 2629 H H . THR 160 160 ? A 14.998 0.265 -14.256 1.000 1 A 89.820 1 ATOM 2630 H HA . THR 160 160 ? A 14.354 -0.328 -11.444 1.000 1 A 89.820 1 ATOM 2631 H HB . THR 160 160 ? A 15.791 1.542 -10.916 1.000 1 A 89.820 1 ATOM 2632 H HG1 . THR 160 160 ? A 16.142 1.913 -13.679 1.000 1 A 89.820 1 ATOM 2633 H HG21 . THR 160 160 ? A 17.152 -0.031 -13.134 1.000 1 A 89.820 1 ATOM 2634 H HG22 . THR 160 160 ? A 17.910 0.780 -11.745 1.000 1 A 89.820 1 ATOM 2635 H HG23 . THR 160 160 ? A 16.870 -0.641 -11.488 1.000 1 A 89.820 1 ATOM 2636 N N . ALA 161 161 ? A 13.089 1.953 -10.866 1.000 1 A 88.760 1 ATOM 2637 C CA . ALA 161 161 ? A 12.076 2.992 -10.685 1.000 1 A 88.760 1 ATOM 2638 C C . ALA 161 161 ? A 12.336 4.209 -11.592 1.000 1 A 88.760 1 ATOM 2639 O O . ALA 161 161 ? A 11.395 4.798 -12.117 1.000 1 A 88.760 1 ATOM 2640 C CB . ALA 161 161 ? A 12.042 3.385 -9.208 1.000 1 A 88.760 1 ATOM 2641 H H . ALA 161 161 ? A 13.698 1.716 -10.096 1.000 1 A 88.760 1 ATOM 2642 H HA . ALA 161 161 ? A 11.103 2.587 -10.964 1.000 1 A 88.760 1 ATOM 2643 H HB1 . ALA 161 161 ? A 11.272 4.143 -9.062 1.000 1 A 88.760 1 ATOM 2644 H HB2 . ALA 161 161 ? A 11.807 2.513 -8.599 1.000 1 A 88.760 1 ATOM 2645 H HB3 . ALA 161 161 ? A 13.009 3.787 -8.904 1.000 1 A 88.760 1 ATOM 2646 N N . TRP 162 162 ? A 13.604 4.550 -11.829 1.000 1 A 84.290 1 ATOM 2647 C CA . TRP 162 162 ? A 13.966 5.629 -12.742 1.000 1 A 84.290 1 ATOM 2648 C C . TRP 162 162 ? A 13.611 5.314 -14.195 1.000 1 A 84.290 1 ATOM 2649 O O . TRP 162 162 ? A 12.954 6.117 -14.853 1.000 1 A 84.290 1 ATOM 2650 C CB . TRP 162 162 ? A 15.458 5.908 -12.622 1.000 1 A 84.290 1 ATOM 2651 C CG . TRP 162 162 ? A 15.877 7.039 -13.490 1.000 1 A 84.290 1 ATOM 2652 C CD1 . TRP 162 162 ? A 16.586 6.948 -14.637 1.000 1 A 84.290 1 ATOM 2653 C CD2 . TRP 162 162 ? A 15.549 8.446 -13.321 1.000 1 A 84.290 1 ATOM 2654 N NE1 . TRP 162 162 ? A 16.776 8.215 -15.150 1.000 1 A 84.290 1 ATOM 2655 C CE2 . TRP 162 162 ? A 16.149 9.172 -14.389 1.000 1 A 84.290 1 ATOM 2656 C CE3 . TRP 162 162 ? A 14.812 9.176 -12.363 1.000 1 A 84.290 1 ATOM 2657 C CZ2 . TRP 162 162 ? A 16.057 10.563 -14.487 1.000 1 A 84.290 1 ATOM 2658 C CZ3 . TRP 162 162 ? A 14.717 10.575 -12.449 1.000 1 A 84.290 1 ATOM 2659 C CH2 . TRP 162 162 ? A 15.340 11.260 -13.502 1.000 1 A 84.290 1 ATOM 2660 H H . TRP 162 162 ? A 14.343 3.967 -11.464 1.000 1 A 84.290 1 ATOM 2661 H HA . TRP 162 162 ? A 13.421 6.532 -12.469 1.000 1 A 84.290 1 ATOM 2662 H HB2 . TRP 162 162 ? A 16.028 5.019 -12.893 1.000 1 A 84.290 1 ATOM 2663 H HB3 . TRP 162 162 ? A 15.695 6.167 -11.590 1.000 1 A 84.290 1 ATOM 2664 H HD1 . TRP 162 162 ? A 16.962 6.034 -15.072 1.000 1 A 84.290 1 ATOM 2665 H HE1 . TRP 162 162 ? A 17.414 8.422 -15.905 1.000 1 A 84.290 1 ATOM 2666 H HE3 . TRP 162 162 ? A 14.346 8.653 -11.540 1.000 1 A 84.290 1 ATOM 2667 H HZ2 . TRP 162 162 ? A 16.550 11.083 -15.296 1.000 1 A 84.290 1 ATOM 2668 H HZ3 . TRP 162 162 ? A 14.181 11.135 -11.696 1.000 1 A 84.290 1 ATOM 2669 H HH2 . TRP 162 162 ? A 15.304 12.340 -13.527 1.000 1 A 84.290 1 ATOM 2670 N N . ASP 163 163 ? A 13.971 4.122 -14.670 1.000 1 A 86.600 1 ATOM 2671 C CA . ASP 163 163 ? A 13.670 3.703 -16.043 1.000 1 A 86.600 1 ATOM 2672 C C . ASP 163 163 ? A 12.159 3.744 -16.300 1.000 1 A 86.600 1 ATOM 2673 O O . ASP 163 163 ? A 11.708 4.224 -17.337 1.000 1 A 86.600 1 ATOM 2674 C CB . ASP 163 163 ? A 14.211 2.291 -16.295 1.000 1 A 86.600 1 ATOM 2675 C CG . ASP 163 163 ? A 15.709 2.169 -16.029 1.000 1 A 86.600 1 ATOM 2676 O OD1 . ASP 163 163 ? A 16.471 3.046 -16.474 1.000 1 A 86.600 1 ATOM 2677 O OD2 . ASP 163 163 ? A 16.080 1.234 -15.278 1.000 1 A 86.600 1 ATOM 2678 H H . ASP 163 163 ? A 14.541 3.518 -14.095 1.000 1 A 86.600 1 ATOM 2679 H HA . ASP 163 163 ? A 14.154 4.388 -16.739 1.000 1 A 86.600 1 ATOM 2680 H HB2 . ASP 163 163 ? A 14.008 2.007 -17.327 1.000 1 A 86.600 1 ATOM 2681 H HB3 . ASP 163 163 ? A 13.684 1.603 -15.634 1.000 1 A 86.600 1 ATOM 2682 N N . TRP 164 164 ? A 11.356 3.343 -15.308 1.000 1 A 91.500 1 ATOM 2683 C CA . TRP 164 164 ? A 9.904 3.478 -15.359 1.000 1 A 91.500 1 ATOM 2684 C C . TRP 164 164 ? A 9.430 4.933 -15.413 1.000 1 A 91.500 1 ATOM 2685 O O . TRP 164 164 ? A 8.530 5.232 -16.198 1.000 1 A 91.500 1 ATOM 2686 C CB . TRP 164 164 ? A 9.279 2.743 -14.172 1.000 1 A 91.500 1 ATOM 2687 C CG . TRP 164 164 ? A 9.129 1.270 -14.381 1.000 1 A 91.500 1 ATOM 2688 C CD1 . TRP 164 164 ? A 9.802 0.289 -13.735 1.000 1 A 91.500 1 ATOM 2689 C CD2 . TRP 164 164 ? A 8.294 0.592 -15.365 1.000 1 A 91.500 1 ATOM 2690 N NE1 . TRP 164 164 ? A 9.452 -0.943 -14.254 1.000 1 A 91.500 1 ATOM 2691 C CE2 . TRP 164 164 ? A 8.501 -0.814 -15.240 1.000 1 A 91.500 1 ATOM 2692 C CE3 . TRP 164 164 ? A 7.402 1.027 -16.370 1.000 1 A 91.500 1 ATOM 2693 C CZ2 . TRP 164 164 ? A 7.832 -1.744 -16.045 1.000 1 A 91.500 1 ATOM 2694 C CZ3 . TRP 164 164 ? A 6.717 0.102 -17.180 1.000 1 A 91.500 1 ATOM 2695 C CH2 . TRP 164 164 ? A 6.915 -1.280 -17.005 1.000 1 A 91.500 1 ATOM 2696 H H . TRP 164 164 ? A 11.784 2.936 -14.489 1.000 1 A 91.500 1 ATOM 2697 H HA . TRP 164 164 ? A 9.554 3.010 -16.279 1.000 1 A 91.500 1 ATOM 2698 H HB2 . TRP 164 164 ? A 9.860 2.931 -13.269 1.000 1 A 91.500 1 ATOM 2699 H HB3 . TRP 164 164 ? A 8.283 3.156 -14.013 1.000 1 A 91.500 1 ATOM 2700 H HD1 . TRP 164 164 ? A 10.560 0.444 -12.981 1.000 1 A 91.500 1 ATOM 2701 H HE1 . TRP 164 164 ? A 9.981 -1.786 -14.085 1.000 1 A 91.500 1 ATOM 2702 H HE3 . TRP 164 164 ? A 7.249 2.087 -16.510 1.000 1 A 91.500 1 ATOM 2703 H HZ2 . TRP 164 164 ? A 8.040 -2.797 -15.925 1.000 1 A 91.500 1 ATOM 2704 H HZ3 . TRP 164 164 ? A 6.034 0.457 -17.938 1.000 1 A 91.500 1 ATOM 2705 H HH2 . TRP 164 164 ? A 6.380 -1.985 -17.622 1.000 1 A 91.500 1 ATOM 2706 N N . ALA 165 165 ? A 10.005 5.839 -14.620 1.000 1 A 87.310 1 ATOM 2707 C CA . ALA 165 165 ? A 9.668 7.265 -14.654 1.000 1 A 87.310 1 ATOM 2708 C C . ALA 165 165 ? A 9.931 7.899 -16.028 1.000 1 A 87.310 1 ATOM 2709 O O . ALA 165 165 ? A 9.076 8.623 -16.543 1.000 1 A 87.310 1 ATOM 2710 C CB . ALA 165 165 ? A 10.481 7.998 -13.586 1.000 1 A 87.310 1 ATOM 2711 H H . ALA 165 165 ? A 10.769 5.545 -14.028 1.000 1 A 87.310 1 ATOM 2712 H HA . ALA 165 165 ? A 8.608 7.390 -14.433 1.000 1 A 87.310 1 ATOM 2713 H HB1 . ALA 165 165 ? A 10.049 7.828 -12.600 1.000 1 A 87.310 1 ATOM 2714 H HB2 . ALA 165 165 ? A 11.520 7.669 -13.583 1.000 1 A 87.310 1 ATOM 2715 H HB3 . ALA 165 165 ? A 10.480 9.062 -13.822 1.000 1 A 87.310 1 ATOM 2716 N N . VAL 166 166 ? A 11.088 7.594 -16.623 1.000 1 A 84.760 1 ATOM 2717 C CA . VAL 166 166 ? A 11.478 8.079 -17.953 1.000 1 A 84.760 1 ATOM 2718 C C . VAL 166 166 ? A 10.583 7.460 -19.025 1.000 1 A 84.760 1 ATOM 2719 O O . VAL 166 166 ? A 9.980 8.184 -19.813 1.000 1 A 84.760 1 ATOM 2720 C CB . VAL 166 166 ? A 12.969 7.787 -18.223 1.000 1 A 84.760 1 ATOM 2721 C CG1 . VAL 166 166 ? A 13.381 8.199 -19.642 1.000 1 A 84.760 1 ATOM 2722 C CG2 . VAL 166 166 ? A 13.863 8.551 -17.237 1.000 1 A 84.760 1 ATOM 2723 H H . VAL 166 166 ? A 11.741 7.009 -16.120 1.000 1 A 84.760 1 ATOM 2724 H HA . VAL 166 166 ? A 11.331 9.158 -17.993 1.000 1 A 84.760 1 ATOM 2725 H HB . VAL 166 166 ? A 13.153 6.720 -18.105 1.000 1 A 84.760 1 ATOM 2726 H HG11 . VAL 166 166 ? A 12.856 7.599 -20.385 1.000 1 A 84.760 1 ATOM 2727 H HG12 . VAL 166 166 ? A 13.160 9.253 -19.808 1.000 1 A 84.760 1 ATOM 2728 H HG13 . VAL 166 166 ? A 14.450 8.036 -19.776 1.000 1 A 84.760 1 ATOM 2729 H HG21 . VAL 166 166 ? A 14.910 8.327 -17.444 1.000 1 A 84.760 1 ATOM 2730 H HG22 . VAL 166 166 ? A 13.706 9.625 -17.334 1.000 1 A 84.760 1 ATOM 2731 H HG23 . VAL 166 166 ? A 13.654 8.249 -16.211 1.000 1 A 84.760 1 ATOM 2732 N N . PHE 167 167 ? A 10.416 6.134 -19.011 1.000 1 A 87.150 1 ATOM 2733 C CA . PHE 167 167 ? A 9.612 5.403 -19.994 1.000 1 A 87.150 1 ATOM 2734 C C . PHE 167 167 ? A 8.143 5.844 -20.017 1.000 1 A 87.150 1 ATOM 2735 O O . PHE 167 167 ? A 7.519 5.887 -21.073 1.000 1 A 87.150 1 ATOM 2736 C CB . PHE 167 167 ? A 9.706 3.902 -19.683 1.000 1 A 87.150 1 ATOM 2737 C CG . PHE 167 167 ? A 8.914 3.038 -20.642 1.000 1 A 87.150 1 ATOM 2738 C CD1 . PHE 167 167 ? A 7.655 2.526 -20.274 1.000 1 A 87.150 1 ATOM 2739 C CD2 . PHE 167 167 ? A 9.424 2.786 -21.928 1.000 1 A 87.150 1 ATOM 2740 C CE1 . PHE 167 167 ? A 6.903 1.777 -21.197 1.000 1 A 87.150 1 ATOM 2741 C CE2 . PHE 167 167 ? A 8.674 2.036 -22.849 1.000 1 A 87.150 1 ATOM 2742 C CZ . PHE 167 167 ? A 7.410 1.538 -22.487 1.000 1 A 87.150 1 ATOM 2743 H H . PHE 167 167 ? A 10.947 5.592 -18.345 1.000 1 A 87.150 1 ATOM 2744 H HA . PHE 167 167 ? A 10.021 5.584 -20.988 1.000 1 A 87.150 1 ATOM 2745 H HB2 . PHE 167 167 ? A 10.752 3.599 -19.735 1.000 1 A 87.150 1 ATOM 2746 H HB3 . PHE 167 167 ? A 9.357 3.721 -18.667 1.000 1 A 87.150 1 ATOM 2747 H HD1 . PHE 167 167 ? A 7.254 2.738 -19.293 1.000 1 A 87.150 1 ATOM 2748 H HD2 . PHE 167 167 ? A 10.379 3.198 -22.218 1.000 1 A 87.150 1 ATOM 2749 H HE1 . PHE 167 167 ? A 5.920 1.420 -20.925 1.000 1 A 87.150 1 ATOM 2750 H HE2 . PHE 167 167 ? A 9.056 1.882 -23.848 1.000 1 A 87.150 1 ATOM 2751 H HZ . PHE 167 167 ? A 6.814 1.004 -23.212 1.000 1 A 87.150 1 ATOM 2752 N N . THR 168 168 ? A 7.581 6.184 -18.856 1.000 1 A 88.830 1 ATOM 2753 C CA . THR 168 168 ? A 6.192 6.657 -18.737 1.000 1 A 88.830 1 ATOM 2754 C C . THR 168 168 ? A 6.031 8.156 -18.995 1.000 1 A 88.830 1 ATOM 2755 O O . THR 168 168 ? A 4.910 8.659 -18.943 1.000 1 A 88.830 1 ATOM 2756 C CB . THR 168 168 ? A 5.572 6.262 -17.390 1.000 1 A 88.830 1 ATOM 2757 O OG1 . THR 168 168 ? A 6.363 6.690 -16.308 1.000 1 A 88.830 1 ATOM 2758 C CG2 . THR 168 168 ? A 5.425 4.745 -17.271 1.000 1 A 88.830 1 ATOM 2759 H H . THR 168 168 ? A 8.154 6.137 -18.026 1.000 1 A 88.830 1 ATOM 2760 H HA . THR 168 168 ? A 5.599 6.174 -19.513 1.000 1 A 88.830 1 ATOM 2761 H HB . THR 168 168 ? A 4.583 6.710 -17.299 1.000 1 A 88.830 1 ATOM 2762 H HG1 . THR 168 168 ? A 7.167 6.166 -16.318 1.000 1 A 88.830 1 ATOM 2763 H HG21 . THR 168 168 ? A 4.745 4.387 -18.044 1.000 1 A 88.830 1 ATOM 2764 H HG22 . THR 168 168 ? A 5.015 4.502 -16.291 1.000 1 A 88.830 1 ATOM 2765 H HG23 . THR 168 168 ? A 6.392 4.255 -17.389 1.000 1 A 88.830 1 ATOM 2766 N N . GLY 169 169 ? A 7.120 8.875 -19.291 1.000 1 A 82.290 1 ATOM 2767 C CA . GLY 169 169 ? A 7.084 10.295 -19.635 1.000 1 A 82.290 1 ATOM 2768 C C . GLY 169 169 ? A 6.739 11.209 -18.459 1.000 1 A 82.290 1 ATOM 2769 O O . GLY 169 169 ? A 6.240 12.316 -18.666 1.000 1 A 82.290 1 ATOM 2770 H H . GLY 169 169 ? A 8.011 8.404 -19.361 1.000 1 A 82.290 1 ATOM 2771 H HA2 . GLY 169 169 ? A 8.065 10.584 -20.012 1.000 1 A 82.290 1 ATOM 2772 H HA3 . GLY 169 169 ? A 6.348 10.456 -20.423 1.000 1 A 82.290 1 ATOM 2773 N N . ASN 170 170 ? A 6.995 10.783 -17.217 1.000 1 A 82.170 1 ATOM 2774 C CA . ASN 170 170 ? A 6.716 11.578 -16.019 1.000 1 A 82.170 1 ATOM 2775 C C . ASN 170 170 ? A 7.778 12.678 -15.819 1.000 1 A 82.170 1 ATOM 2776 O O . ASN 170 170 ? A 8.507 12.701 -14.828 1.000 1 A 82.170 1 ATOM 2777 C CB . ASN 170 170 ? A 6.535 10.649 -14.806 1.000 1 A 82.170 1 ATOM 2778 C CG . ASN 170 170 ? A 5.185 9.960 -14.796 1.000 1 A 82.170 1 ATOM 2779 O OD1 . ASN 170 170 ? A 4.141 10.587 -14.766 1.000 1 A 82.170 1 ATOM 2780 N ND2 . ASN 170 170 ? A 5.148 8.657 -14.738 1.000 1 A 82.170 1 ATOM 2781 H H . ASN 170 170 ? A 7.466 9.896 -17.110 1.000 1 A 82.170 1 ATOM 2782 H HA . ASN 170 170 ? A 5.770 12.097 -16.172 1.000 1 A 82.170 1 ATOM 2783 H HB2 . ASN 170 170 ? A 7.341 9.916 -14.772 1.000 1 A 82.170 1 ATOM 2784 H HB3 . ASN 170 170 ? A 6.573 11.245 -13.894 1.000 1 A 82.170 1 ATOM 2785 H HD21 . ASN 170 170 ? A 5.978 8.113 -14.928 1.000 1 A 82.170 1 ATOM 2786 H HD22 . ASN 170 170 ? A 4.250 8.200 -14.809 1.000 1 A 82.170 1 ATOM 2787 N N . MET 171 171 ? A 7.856 13.619 -16.765 1.000 1 A 71.980 1 ATOM 2788 C CA . MET 171 171 ? A 8.842 14.706 -16.780 1.000 1 A 71.980 1 ATOM 2789 C C . MET 171 171 ? A 8.763 15.599 -15.539 1.000 1 A 71.980 1 ATOM 2790 O O . MET 171 171 ? A 9.786 16.104 -15.089 1.000 1 A 71.980 1 ATOM 2791 C CB . MET 171 171 ? A 8.652 15.568 -18.039 1.000 1 A 71.980 1 ATOM 2792 C CG . MET 171 171 ? A 9.000 14.814 -19.327 1.000 1 A 71.980 1 ATOM 2793 S SD . MET 171 171 ? A 10.733 14.295 -19.458 1.000 1 A 71.980 1 ATOM 2794 C CE . MET 171 171 ? A 11.527 15.837 -19.984 1.000 1 A 71.980 1 ATOM 2795 H H . MET 171 171 ? A 7.263 13.497 -17.573 1.000 1 A 71.980 1 ATOM 2796 H HA . MET 171 171 ? A 9.840 14.268 -16.800 1.000 1 A 71.980 1 ATOM 2797 H HB2 . MET 171 171 ? A 7.617 15.905 -18.093 1.000 1 A 71.980 1 ATOM 2798 H HB3 . MET 171 171 ? A 9.294 16.447 -17.971 1.000 1 A 71.980 1 ATOM 2799 H HG2 . MET 171 171 ? A 8.374 13.925 -19.394 1.000 1 A 71.980 1 ATOM 2800 H HG3 . MET 171 171 ? A 8.761 15.446 -20.183 1.000 1 A 71.980 1 ATOM 2801 H HE1 . MET 171 171 ? A 12.592 15.657 -20.133 1.000 1 A 71.980 1 ATOM 2802 H HE2 . MET 171 171 ? A 11.090 16.171 -20.925 1.000 1 A 71.980 1 ATOM 2803 H HE3 . MET 171 171 ? A 11.396 16.603 -19.220 1.000 1 A 71.980 1 ATOM 2804 N N . GLU 172 172 ? A 7.576 15.784 -14.954 1.000 1 A 77.310 1 ATOM 2805 C CA . GLU 172 172 ? A 7.433 16.496 -13.677 1.000 1 A 77.310 1 ATOM 2806 C C . GLU 172 172 ? A 8.144 15.769 -12.537 1.000 1 A 77.310 1 ATOM 2807 O O . GLU 172 172 ? A 8.838 16.401 -11.744 1.000 1 A 77.310 1 ATOM 2808 C CB . GLU 172 172 ? A 5.960 16.659 -13.295 1.000 1 A 77.310 1 ATOM 2809 C CG . GLU 172 172 ? A 5.217 17.638 -14.209 1.000 1 A 77.310 1 ATOM 2810 C CD . GLU 172 172 ? A 3.858 18.047 -13.619 1.000 1 A 77.310 1 ATOM 2811 O OE1 . GLU 172 172 ? A 3.395 19.146 -13.990 1.000 1 A 77.310 1 ATOM 2812 O OE2 . GLU 172 172 ? A 3.294 17.264 -12.819 1.000 1 A 77.310 1 ATOM 2813 H H . GLU 172 172 ? A 6.753 15.373 -15.372 1.000 1 A 77.310 1 ATOM 2814 H HA . GLU 172 172 ? A 7.881 17.487 -13.754 1.000 1 A 77.310 1 ATOM 2815 H HB2 . GLU 172 172 ? A 5.920 17.045 -12.277 1.000 1 A 77.310 1 ATOM 2816 H HB3 . GLU 172 172 ? A 5.467 15.687 -13.317 1.000 1 A 77.310 1 ATOM 2817 H HG2 . GLU 172 172 ? A 5.835 18.526 -14.342 1.000 1 A 77.310 1 ATOM 2818 H HG3 . GLU 172 172 ? A 5.074 17.176 -15.186 1.000 1 A 77.310 1 ATOM 2819 N N . LEU 173 173 ? A 8.040 14.437 -12.486 1.000 1 A 78.440 1 ATOM 2820 C CA . LEU 173 173 ? A 8.766 13.642 -11.502 1.000 1 A 78.440 1 ATOM 2821 C C . LEU 173 173 ? A 10.275 13.765 -11.730 1.000 1 A 78.440 1 ATOM 2822 O O . LEU 173 173 ? A 10.994 14.056 -10.781 1.000 1 A 78.440 1 ATOM 2823 C CB . LEU 173 173 ? A 8.236 12.203 -11.492 1.000 1 A 78.440 1 ATOM 2824 C CG . LEU 173 173 ? A 9.011 11.268 -10.542 1.000 1 A 78.440 1 ATOM 2825 C CD1 . LEU 173 173 ? A 8.087 10.179 -10.003 1.000 1 A 78.440 1 ATOM 2826 C CD2 . LEU 173 173 ? A 10.130 10.548 -11.284 1.000 1 A 78.440 1 ATOM 2827 H H . LEU 173 173 ? A 7.544 13.960 -13.224 1.000 1 A 78.440 1 ATOM 2828 H HA . LEU 173 173 ? A 8.552 14.059 -10.518 1.000 1 A 78.440 1 ATOM 2829 H HB2 . LEU 173 173 ? A 7.196 12.257 -11.170 1.000 1 A 78.440 1 ATOM 2830 H HB3 . LEU 173 173 ? A 8.254 11.789 -12.500 1.000 1 A 78.440 1 ATOM 2831 H HG . LEU 173 173 ? A 9.413 11.826 -9.696 1.000 1 A 78.440 1 ATOM 2832 H HD11 . LEU 173 173 ? A 7.686 9.590 -10.828 1.000 1 A 78.440 1 ATOM 2833 H HD12 . LEU 173 173 ? A 8.647 9.525 -9.334 1.000 1 A 78.440 1 ATOM 2834 H HD13 . LEU 173 173 ? A 7.280 10.640 -9.434 1.000 1 A 78.440 1 ATOM 2835 H HD21 . LEU 173 173 ? A 10.913 11.242 -11.589 1.000 1 A 78.440 1 ATOM 2836 H HD22 . LEU 173 173 ? A 9.697 10.089 -12.173 1.000 1 A 78.440 1 ATOM 2837 H HD23 . LEU 173 173 ? A 10.576 9.776 -10.657 1.000 1 A 78.440 1 ATOM 2838 N N . VAL 174 174 ? A 10.746 13.640 -12.973 1.000 1 A 72.430 1 ATOM 2839 C CA . VAL 174 174 ? A 12.167 13.813 -13.326 1.000 1 A 72.430 1 ATOM 2840 C C . VAL 174 174 ? A 12.688 15.192 -12.902 1.000 1 A 72.430 1 ATOM 2841 O O . VAL 174 174 ? A 13.722 15.286 -12.243 1.000 1 A 72.430 1 ATOM 2842 C CB . VAL 174 174 ? A 12.363 13.572 -14.836 1.000 1 A 72.430 1 ATOM 2843 C CG1 . VAL 174 174 ? A 13.737 14.025 -15.352 1.000 1 A 72.430 1 ATOM 2844 C CG2 . VAL 174 174 ? A 12.122 12.094 -15.171 1.000 1 A 72.430 1 ATOM 2845 H H . VAL 174 174 ? A 10.093 13.385 -13.701 1.000 1 A 72.430 1 ATOM 2846 H HA . VAL 174 174 ? A 12.760 13.075 -12.785 1.000 1 A 72.430 1 ATOM 2847 H HB . VAL 174 174 ? A 11.616 14.152 -15.379 1.000 1 A 72.430 1 ATOM 2848 H HG11 . VAL 174 174 ? A 14.511 13.902 -14.595 1.000 1 A 72.430 1 ATOM 2849 H HG12 . VAL 174 174 ? A 13.694 15.081 -15.616 1.000 1 A 72.430 1 ATOM 2850 H HG13 . VAL 174 174 ? A 14.018 13.464 -16.243 1.000 1 A 72.430 1 ATOM 2851 H HG21 . VAL 174 174 ? A 12.217 11.939 -16.246 1.000 1 A 72.430 1 ATOM 2852 H HG22 . VAL 174 174 ? A 12.851 11.465 -14.660 1.000 1 A 72.430 1 ATOM 2853 H HG23 . VAL 174 174 ? A 11.118 11.790 -14.873 1.000 1 A 72.430 1 ATOM 2854 N N . LYS 175 175 ? A 11.941 16.262 -13.202 1.000 1 A 74.540 1 ATOM 2855 C CA . LYS 175 175 ? A 12.285 17.636 -12.804 1.000 1 A 74.540 1 ATOM 2856 C C . LYS 175 175 ? A 12.298 17.807 -11.287 1.000 1 A 74.540 1 ATOM 2857 O O . LYS 175 175 ? A 13.256 18.362 -10.759 1.000 1 A 74.540 1 ATOM 2858 C CB . LYS 175 175 ? A 11.302 18.630 -13.436 1.000 1 A 74.540 1 ATOM 2859 C CG . LYS 175 175 ? A 11.557 18.836 -14.935 1.000 1 A 74.540 1 ATOM 2860 C CD . LYS 175 175 ? A 10.476 19.749 -15.526 1.000 1 A 74.540 1 ATOM 2861 C CE . LYS 175 175 ? A 10.703 19.941 -17.029 1.000 1 A 74.540 1 ATOM 2862 N NZ . LYS 175 175 ? A 9.709 20.879 -17.611 1.000 1 A 74.540 1 ATOM 2863 H H . LYS 175 175 ? A 11.101 16.112 -13.743 1.000 1 A 74.540 1 ATOM 2864 H HA . LYS 175 175 ? A 13.296 17.865 -13.142 1.000 1 A 74.540 1 ATOM 2865 H HB2 . LYS 175 175 ? A 10.283 18.278 -13.277 1.000 1 A 74.540 1 ATOM 2866 H HB3 . LYS 175 175 ? A 11.407 19.594 -12.938 1.000 1 A 74.540 1 ATOM 2867 H HG2 . LYS 175 175 ? A 12.535 19.299 -15.070 1.000 1 A 74.540 1 ATOM 2868 H HG3 . LYS 175 175 ? A 11.553 17.879 -15.457 1.000 1 A 74.540 1 ATOM 2869 H HD2 . LYS 175 175 ? A 10.511 20.714 -15.021 1.000 1 A 74.540 1 ATOM 2870 H HD3 . LYS 175 175 ? A 9.499 19.295 -15.363 1.000 1 A 74.540 1 ATOM 2871 H HE2 . LYS 175 175 ? A 11.712 20.325 -17.181 1.000 1 A 74.540 1 ATOM 2872 H HE3 . LYS 175 175 ? A 10.640 18.968 -17.516 1.000 1 A 74.540 1 ATOM 2873 H HZ1 . LYS 175 175 ? A 8.770 20.533 -17.473 1.000 1 A 74.540 1 ATOM 2874 H HZ2 . LYS 175 175 ? A 9.867 20.994 -18.602 1.000 1 A 74.540 1 ATOM 2875 H HZ3 . LYS 175 175 ? A 9.780 21.786 -17.173 1.000 1 A 74.540 1 ATOM 2876 N N . SER 176 176 ? A 11.265 17.318 -10.600 1.000 1 A 74.160 1 ATOM 2877 C CA . SER 176 176 ? A 11.159 17.416 -9.139 1.000 1 A 74.160 1 ATOM 2878 C C . SER 176 176 ? A 12.299 16.679 -8.436 1.000 1 A 74.160 1 ATOM 2879 O O . SER 176 176 ? A 12.960 17.267 -7.590 1.000 1 A 74.160 1 ATOM 2880 C CB . SER 176 176 ? A 9.787 16.940 -8.645 1.000 1 A 74.160 1 ATOM 2881 O OG . SER 176 176 ? A 9.580 15.562 -8.866 1.000 1 A 74.160 1 ATOM 2882 H H . SER 176 176 ? A 10.498 16.913 -11.117 1.000 1 A 74.160 1 ATOM 2883 H HA . SER 176 176 ? A 11.251 18.466 -8.861 1.000 1 A 74.160 1 ATOM 2884 H HB2 . SER 176 176 ? A 9.010 17.502 -9.163 1.000 1 A 74.160 1 ATOM 2885 H HB3 . SER 176 176 ? A 9.709 17.136 -7.575 1.000 1 A 74.160 1 ATOM 2886 H HG . SER 176 176 ? A 9.892 15.350 -9.749 1.000 1 A 74.160 1 ATOM 2887 N N . LEU 177 177 ? A 12.631 15.456 -8.863 1.000 1 A 72.180 1 ATOM 2888 C CA . LEU 177 177 ? A 13.747 14.695 -8.299 1.000 1 A 72.180 1 ATOM 2889 C C . LEU 177 177 ? A 15.103 15.337 -8.596 1.000 1 A 72.180 1 ATOM 2890 O O . LEU 177 177 ? A 15.987 15.282 -7.747 1.000 1 A 72.180 1 ATOM 2891 C CB . LEU 177 177 ? A 13.723 13.256 -8.832 1.000 1 A 72.180 1 ATOM 2892 C CG . LEU 177 177 ? A 12.563 12.393 -8.310 1.000 1 A 72.180 1 ATOM 2893 C CD1 . LEU 177 177 ? A 12.651 11.016 -8.962 1.000 1 A 72.180 1 ATOM 2894 C CD2 . LEU 177 177 ? A 12.608 12.190 -6.795 1.000 1 A 72.180 1 ATOM 2895 H H . LEU 177 177 ? A 12.064 15.015 -9.573 1.000 1 A 72.180 1 ATOM 2896 H HA . LEU 177 177 ? A 13.651 14.683 -7.214 1.000 1 A 72.180 1 ATOM 2897 H HB2 . LEU 177 177 ? A 13.689 13.287 -9.921 1.000 1 A 72.180 1 ATOM 2898 H HB3 . LEU 177 177 ? A 14.657 12.773 -8.543 1.000 1 A 72.180 1 ATOM 2899 H HG . LEU 177 177 ? A 11.607 12.845 -8.574 1.000 1 A 72.180 1 ATOM 2900 H HD11 . LEU 177 177 ? A 13.573 10.516 -8.665 1.000 1 A 72.180 1 ATOM 2901 H HD12 . LEU 177 177 ? A 12.636 11.127 -10.047 1.000 1 A 72.180 1 ATOM 2902 H HD13 . LEU 177 177 ? A 11.792 10.420 -8.655 1.000 1 A 72.180 1 ATOM 2903 H HD21 . LEU 177 177 ? A 12.415 13.136 -6.290 1.000 1 A 72.180 1 ATOM 2904 H HD22 . LEU 177 177 ? A 11.834 11.484 -6.490 1.000 1 A 72.180 1 ATOM 2905 H HD23 . LEU 177 177 ? A 13.585 11.814 -6.493 1.000 1 A 72.180 1 ATOM 2906 N N . ASN 178 178 ? A 15.282 15.958 -9.766 1.000 1 A 67.160 1 ATOM 2907 C CA . ASN 178 178 ? A 16.512 16.685 -10.076 1.000 1 A 67.160 1 ATOM 2908 C C . ASN 178 178 ? A 16.647 17.960 -9.224 1.000 1 A 67.160 1 ATOM 2909 O O . ASN 178 178 ? A 17.724 18.256 -8.716 1.000 1 A 67.160 1 ATOM 2910 C CB . ASN 178 178 ? A 16.549 16.988 -11.582 1.000 1 A 67.160 1 ATOM 2911 C CG . ASN 178 178 ? A 17.914 17.461 -12.054 1.000 1 A 67.160 1 ATOM 2912 O OD1 . ASN 178 178 ? A 18.952 17.200 -11.469 1.000 1 A 67.160 1 ATOM 2913 N ND2 . ASN 178 178 ? A 17.965 18.156 -13.166 1.000 1 A 67.160 1 ATOM 2914 H H . ASN 178 178 ? A 14.550 15.918 -10.461 1.000 1 A 67.160 1 ATOM 2915 H HA . ASN 178 178 ? A 17.360 16.044 -9.835 1.000 1 A 67.160 1 ATOM 2916 H HB2 . ASN 178 178 ? A 15.800 17.744 -11.819 1.000 1 A 67.160 1 ATOM 2917 H HB3 . ASN 178 178 ? A 16.314 16.081 -12.139 1.000 1 A 67.160 1 ATOM 2918 H HD21 . ASN 178 178 ? A 18.886 18.404 -13.500 1.000 1 A 67.160 1 ATOM 2919 H HD22 . ASN 178 178 ? A 17.125 18.337 -13.698 1.000 1 A 67.160 1 ATOM 2920 N N . HIS 179 179 ? A 15.555 18.695 -9.009 1.000 1 A 69.290 1 ATOM 2921 C CA . HIS 179 179 ? A 15.544 19.844 -8.103 1.000 1 A 69.290 1 ATOM 2922 C C . HIS 179 179 ? A 15.840 19.420 -6.656 1.000 1 A 69.290 1 ATOM 2923 O O . HIS 179 179 ? A 16.724 19.978 -6.004 1.000 1 A 69.290 1 ATOM 2924 C CB . HIS 179 179 ? A 14.190 20.550 -8.217 1.000 1 A 69.290 1 ATOM 2925 C CG . HIS 179 179 ? A 14.074 21.723 -7.286 1.000 1 A 69.290 1 ATOM 2926 N ND1 . HIS 179 179 ? A 13.576 21.688 -6.003 1.000 1 A 69.290 1 ATOM 2927 C CD2 . HIS 179 179 ? A 14.455 23.012 -7.543 1.000 1 A 69.290 1 ATOM 2928 C CE1 . HIS 179 179 ? A 13.627 22.938 -5.513 1.000 1 A 69.290 1 ATOM 2929 N NE2 . HIS 179 179 ? A 14.167 23.777 -6.410 1.000 1 A 69.290 1 ATOM 2930 H H . HIS 179 179 ? A 14.685 18.417 -9.441 1.000 1 A 69.290 1 ATOM 2931 H HA . HIS 179 179 ? A 16.326 20.542 -8.401 1.000 1 A 69.290 1 ATOM 2932 H HB2 . HIS 179 179 ? A 13.390 19.847 -7.987 1.000 1 A 69.290 1 ATOM 2933 H HB3 . HIS 179 179 ? A 14.053 20.896 -9.241 1.000 1 A 69.290 1 ATOM 2934 H HD1 . HIS 179 179 ? A 13.227 20.872 -5.521 1.000 1 A 69.290 1 ATOM 2935 H HD2 . HIS 179 179 ? A 14.897 23.375 -8.459 1.000 1 A 69.290 1 ATOM 2936 H HE1 . HIS 179 179 ? A 13.281 23.232 -4.533 1.000 1 A 69.290 1 ATOM 2937 N N . ASP 180 180 ? A 15.161 18.379 -6.174 1.000 1 A 65.590 1 ATOM 2938 C CA . ASP 180 180 ? A 15.383 17.835 -4.836 1.000 1 A 65.590 1 ATOM 2939 C C . ASP 180 180 ? A 16.797 17.268 -4.692 1.000 1 A 65.590 1 ATOM 2940 O O . ASP 180 180 ? A 17.391 17.403 -3.625 1.000 1 A 65.590 1 ATOM 2941 C CB . ASP 180 180 ? A 14.308 16.790 -4.505 1.000 1 A 65.590 1 ATOM 2942 C CG . ASP 180 180 ? A 12.909 17.405 -4.353 1.000 1 A 65.590 1 ATOM 2943 O OD1 . ASP 180 180 ? A 12.820 18.641 -4.148 1.000 1 A 65.590 1 ATOM 2944 O OD2 . ASP 180 180 ? A 11.936 16.622 -4.418 1.000 1 A 65.590 1 ATOM 2945 H H . ASP 180 180 ? A 14.407 17.990 -6.721 1.000 1 A 65.590 1 ATOM 2946 H HA . ASP 180 180 ? A 15.297 18.646 -4.113 1.000 1 A 65.590 1 ATOM 2947 H HB2 . ASP 180 180 ? A 14.569 16.307 -3.564 1.000 1 A 65.590 1 ATOM 2948 H HB3 . ASP 180 180 ? A 14.294 16.027 -5.283 1.000 1 A 65.590 1 ATOM 2949 N N . TYR 181 181 ? A 17.390 16.726 -5.762 1.000 1 A 62.790 1 ATOM 2950 C CA . TYR 181 181 ? A 18.799 16.340 -5.797 1.000 1 A 62.790 1 ATOM 2951 C C . TYR 181 181 ? A 19.744 17.515 -5.580 1.000 1 A 62.790 1 ATOM 2952 O O . TYR 181 181 ? A 20.653 17.387 -4.764 1.000 1 A 62.790 1 ATOM 2953 C CB . TYR 181 181 ? A 19.164 15.654 -7.115 1.000 1 A 62.790 1 ATOM 2954 C CG . TYR 181 181 ? A 20.660 15.494 -7.318 1.000 1 A 62.790 1 ATOM 2955 C CD1 . TYR 181 181 ? A 21.332 16.281 -8.268 1.000 1 A 62.790 1 ATOM 2956 C CD2 . TYR 181 181 ? A 21.398 14.616 -6.503 1.000 1 A 62.790 1 ATOM 2957 C CE1 . TYR 181 181 ? A 22.716 16.117 -8.455 1.000 1 A 62.790 1 ATOM 2958 C CE2 . TYR 181 181 ? A 22.759 14.379 -6.750 1.000 1 A 62.790 1 ATOM 2959 C CZ . TYR 181 181 ? A 23.418 15.120 -7.745 1.000 1 A 62.790 1 ATOM 2960 O OH . TYR 181 181 ? A 24.729 14.887 -7.999 1.000 1 A 62.790 1 ATOM 2961 H H . TYR 181 181 ? A 16.836 16.585 -6.595 1.000 1 A 62.790 1 ATOM 2962 H HA . TYR 181 181 ? A 18.982 15.641 -4.980 1.000 1 A 62.790 1 ATOM 2963 H HB2 . TYR 181 181 ? A 18.766 16.226 -7.953 1.000 1 A 62.790 1 ATOM 2964 H HB3 . TYR 181 181 ? A 18.695 14.671 -7.155 1.000 1 A 62.790 1 ATOM 2965 H HD1 . TYR 181 181 ? A 20.787 17.007 -8.852 1.000 1 A 62.790 1 ATOM 2966 H HD2 . TYR 181 181 ? A 20.914 14.111 -5.681 1.000 1 A 62.790 1 ATOM 2967 H HE1 . TYR 181 181 ? A 23.243 16.750 -9.153 1.000 1 A 62.790 1 ATOM 2968 H HE2 . TYR 181 181 ? A 23.317 13.647 -6.184 1.000 1 A 62.790 1 ATOM 2969 H HH . TYR 181 181 ? A 24.955 15.146 -8.896 1.000 1 A 62.790 1 ATOM 2970 N N . GLN 182 182 ? A 19.558 18.644 -6.270 1.000 1 A 63.930 1 ATOM 2971 C CA . GLN 182 182 ? A 20.429 19.812 -6.079 1.000 1 A 63.930 1 ATOM 2972 C C . GLN 182 182 ? A 20.404 20.273 -4.612 1.000 1 A 63.930 1 ATOM 2973 O O . GLN 182 182 ? A 21.450 20.542 -4.013 1.000 1 A 63.930 1 ATOM 2974 C CB . GLN 182 182 ? A 20.014 20.952 -7.025 1.000 1 A 63.930 1 ATOM 2975 C CG . GLN 182 182 ? A 20.213 20.623 -8.515 1.000 1 A 63.930 1 ATOM 2976 C CD . GLN 182 182 ? A 21.659 20.354 -8.912 1.000 1 A 63.930 1 ATOM 2977 O OE1 . GLN 182 182 ? A 22.613 20.779 -8.286 1.000 1 A 63.930 1 ATOM 2978 N NE2 . GLN 182 182 ? A 21.883 19.625 -9.984 1.000 1 A 63.930 1 ATOM 2979 H H . GLN 182 182 ? A 18.791 18.699 -6.924 1.000 1 A 63.930 1 ATOM 2980 H HA . GLN 182 182 ? A 21.457 19.527 -6.302 1.000 1 A 63.930 1 ATOM 2981 H HB2 . GLN 182 182 ? A 20.601 21.838 -6.786 1.000 1 A 63.930 1 ATOM 2982 H HB3 . GLN 182 182 ? A 18.965 21.196 -6.857 1.000 1 A 63.930 1 ATOM 2983 H HG2 . GLN 182 182 ? A 19.616 19.750 -8.779 1.000 1 A 63.930 1 ATOM 2984 H HG3 . GLN 182 182 ? A 19.849 21.461 -9.110 1.000 1 A 63.930 1 ATOM 2985 H HE21 . GLN 182 182 ? A 21.109 19.218 -10.490 1.000 1 A 63.930 1 ATOM 2986 H HE22 . GLN 182 182 ? A 22.855 19.488 -10.223 1.000 1 A 63.930 1 ATOM 2987 N N . ASN 183 183 ? A 19.222 20.241 -3.991 1.000 1 A 65.450 1 ATOM 2988 C CA . ASN 183 183 ? A 19.049 20.569 -2.577 1.000 1 A 65.450 1 ATOM 2989 C C . ASN 183 183 ? A 19.698 19.521 -1.655 1.000 1 A 65.450 1 ATOM 2990 O O . ASN 183 183 ? A 20.463 19.863 -0.752 1.000 1 A 65.450 1 ATOM 2991 C CB . ASN 183 183 ? A 17.546 20.743 -2.301 1.000 1 A 65.450 1 ATOM 2992 C CG . ASN 183 183 ? A 16.963 21.927 -3.050 1.000 1 A 65.450 1 ATOM 2993 O OD1 . ASN 183 183 ? A 17.622 22.917 -3.310 1.000 1 A 65.450 1 ATOM 2994 N ND2 . ASN 183 183 ? A 15.709 21.872 -3.423 1.000 1 A 65.450 1 ATOM 2995 H H . ASN 183 183 ? A 18.404 20.029 -4.545 1.000 1 A 65.450 1 ATOM 2996 H HA . ASN 183 183 ? A 19.548 21.517 -2.376 1.000 1 A 65.450 1 ATOM 2997 H HB2 . ASN 183 183 ? A 17.012 19.836 -2.584 1.000 1 A 65.450 1 ATOM 2998 H HB3 . ASN 183 183 ? A 17.391 20.917 -1.236 1.000 1 A 65.450 1 ATOM 2999 H HD21 . ASN 183 183 ? A 15.435 22.610 -4.055 1.000 1 A 65.450 1 ATOM 3000 H HD22 . ASN 183 183 ? A 15.175 21.021 -3.318 1.000 1 A 65.450 1 ATOM 3001 N N . LEU 184 184 ? A 19.449 18.233 -1.906 1.000 1 A 63.060 1 ATOM 3002 C CA . LEU 184 184 ? A 19.982 17.121 -1.117 1.000 1 A 63.060 1 ATOM 3003 C C . LEU 184 184 ? A 21.499 16.996 -1.226 1.000 1 A 63.060 1 ATOM 3004 O O . LEU 184 184 ? A 22.154 16.822 -0.207 1.000 1 A 63.060 1 ATOM 3005 C CB . LEU 184 184 ? A 19.298 15.812 -1.548 1.000 1 A 63.060 1 ATOM 3006 C CG . LEU 184 184 ? A 18.029 15.542 -0.724 1.000 1 A 63.060 1 ATOM 3007 C CD1 . LEU 184 184 ? A 17.027 14.691 -1.497 1.000 1 A 63.060 1 ATOM 3008 C CD2 . LEU 184 184 ? A 18.419 14.808 0.561 1.000 1 A 63.060 1 ATOM 3009 H H . LEU 184 184 ? A 18.813 18.017 -2.660 1.000 1 A 63.060 1 ATOM 3010 H HA . LEU 184 184 ? A 19.765 17.312 -0.066 1.000 1 A 63.060 1 ATOM 3011 H HB2 . LEU 184 184 ? A 19.062 15.860 -2.611 1.000 1 A 63.060 1 ATOM 3012 H HB3 . LEU 184 184 ? A 19.988 14.977 -1.427 1.000 1 A 63.060 1 ATOM 3013 H HG . LEU 184 184 ? A 17.541 16.482 -0.467 1.000 1 A 63.060 1 ATOM 3014 H HD11 . LEU 184 184 ? A 17.490 13.759 -1.819 1.000 1 A 63.060 1 ATOM 3015 H HD12 . LEU 184 184 ? A 16.690 15.239 -2.377 1.000 1 A 63.060 1 ATOM 3016 H HD13 . LEU 184 184 ? A 16.156 14.482 -0.876 1.000 1 A 63.060 1 ATOM 3017 H HD21 . LEU 184 184 ? A 17.520 14.544 1.118 1.000 1 A 63.060 1 ATOM 3018 H HD22 . LEU 184 184 ? A 19.024 15.469 1.181 1.000 1 A 63.060 1 ATOM 3019 H HD23 . LEU 184 184 ? A 19.006 13.920 0.325 1.000 1 A 63.060 1 ATOM 3020 N N . SER 185 185 ? A 22.074 17.099 -2.422 1.000 1 A 63.980 1 ATOM 3021 C CA . SER 185 185 ? A 23.523 17.042 -2.649 1.000 1 A 63.980 1 ATOM 3022 C C . SER 185 185 ? A 24.246 18.125 -1.845 1.000 1 A 63.980 1 ATOM 3023 O O . SER 185 185 ? A 25.227 17.837 -1.153 1.000 1 A 63.980 1 ATOM 3024 C CB . SER 185 185 ? A 23.809 17.199 -4.146 1.000 1 A 63.980 1 ATOM 3025 O OG . SER 185 185 ? A 25.183 16.990 -4.400 1.000 1 A 63.980 1 ATOM 3026 H H . SER 185 185 ? A 21.475 17.264 -3.218 1.000 1 A 63.980 1 ATOM 3027 H HA . SER 185 185 ? A 23.897 16.071 -2.326 1.000 1 A 63.980 1 ATOM 3028 H HB2 . SER 185 185 ? A 23.230 16.463 -4.704 1.000 1 A 63.980 1 ATOM 3029 H HB3 . SER 185 185 ? A 23.518 18.196 -4.475 1.000 1 A 63.980 1 ATOM 3030 H HG . SER 185 185 ? A 25.323 17.139 -5.338 1.000 1 A 63.980 1 ATOM 3031 N N . THR 186 186 ? A 23.682 19.337 -1.829 1.000 1 A 66.210 1 ATOM 3032 C CA . THR 186 186 ? A 24.163 20.454 -1.007 1.000 1 A 66.210 1 ATOM 3033 C C . THR 186 186 ? A 24.088 20.116 0.485 1.000 1 A 66.210 1 ATOM 3034 O O . THR 186 186 ? A 25.093 20.207 1.191 1.000 1 A 66.210 1 ATOM 3035 C CB . THR 186 186 ? A 23.375 21.735 -1.325 1.000 1 A 66.210 1 ATOM 3036 O OG1 . THR 186 186 ? A 23.436 21.996 -2.708 1.000 1 A 66.210 1 ATOM 3037 C CG2 . THR 186 186 ? A 23.972 22.954 -0.622 1.000 1 A 66.210 1 ATOM 3038 H H . THR 186 186 ? A 22.887 19.505 -2.428 1.000 1 A 66.210 1 ATOM 3039 H HA . THR 186 186 ? A 25.209 20.639 -1.252 1.000 1 A 66.210 1 ATOM 3040 H HB . THR 186 186 ? A 22.333 21.622 -1.027 1.000 1 A 66.210 1 ATOM 3041 H HG1 . THR 186 186 ? A 22.705 21.558 -3.151 1.000 1 A 66.210 1 ATOM 3042 H HG21 . THR 186 186 ? A 25.022 23.064 -0.893 1.000 1 A 66.210 1 ATOM 3043 H HG22 . THR 186 186 ? A 23.430 23.847 -0.933 1.000 1 A 66.210 1 ATOM 3044 H HG23 . THR 186 186 ? A 23.883 22.851 0.459 1.000 1 A 66.210 1 ATOM 3045 N N . CYS 187 187 ? A 22.942 19.628 0.974 1.000 1 A 64.650 1 ATOM 3046 C CA . CYS 187 187 ? A 22.793 19.217 2.374 1.000 1 A 64.650 1 ATOM 3047 C C . CYS 187 187 ? A 23.730 18.066 2.771 1.000 1 A 64.650 1 ATOM 3048 O O . CYS 187 187 ? A 24.273 18.074 3.872 1.000 1 A 64.650 1 ATOM 3049 C CB . CYS 187 187 ? A 21.339 18.807 2.640 1.000 1 A 64.650 1 ATOM 3050 S SG . CYS 187 187 ? A 20.247 20.254 2.622 1.000 1 A 64.650 1 ATOM 3051 H H . CYS 187 187 ? A 22.129 19.597 0.375 1.000 1 A 64.650 1 ATOM 3052 H HA . CYS 187 187 ? A 23.042 20.061 3.017 1.000 1 A 64.650 1 ATOM 3053 H HB2 . CYS 187 187 ? A 21.272 18.336 3.620 1.000 1 A 64.650 1 ATOM 3054 H HB3 . CYS 187 187 ? A 21.010 18.093 1.885 1.000 1 A 64.650 1 ATOM 3055 H HG . CYS 187 187 ? A 20.897 20.995 3.524 1.000 1 A 64.650 1 ATOM 3056 N N . ILE 188 188 ? A 23.943 17.080 1.897 1.000 1 A 66.990 1 ATOM 3057 C CA . ILE 188 188 ? A 24.817 15.929 2.153 1.000 1 A 66.990 1 ATOM 3058 C C . ILE 188 188 ? A 26.277 16.371 2.209 1.000 1 A 66.990 1 ATOM 3059 O O . ILE 188 188 ? A 27.013 15.907 3.079 1.000 1 A 66.990 1 ATOM 3060 C CB . ILE 188 188 ? A 24.598 14.826 1.093 1.000 1 A 66.990 1 ATOM 3061 C CG1 . ILE 188 188 ? A 23.183 14.226 1.243 1.000 1 A 66.990 1 ATOM 3062 C CG2 . ILE 188 188 ? A 25.660 13.712 1.231 1.000 1 A 66.990 1 ATOM 3063 C CD1 . ILE 188 188 ? A 22.743 13.375 0.040 1.000 1 A 66.990 1 ATOM 3064 H H . ILE 188 188 ? A 23.450 17.124 1.016 1.000 1 A 66.990 1 ATOM 3065 H HA . ILE 188 188 ? A 24.569 15.516 3.131 1.000 1 A 66.990 1 ATOM 3066 H HB . ILE 188 188 ? A 24.691 15.272 0.102 1.000 1 A 66.990 1 ATOM 3067 H HG12 . ILE 188 188 ? A 22.444 15.017 1.368 1.000 1 A 66.990 1 ATOM 3068 H HG13 . ILE 188 188 ? A 23.136 13.647 2.165 1.000 1 A 66.990 1 ATOM 3069 H HG21 . ILE 188 188 ? A 26.651 14.098 0.993 1.000 1 A 66.990 1 ATOM 3070 H HG22 . ILE 188 188 ? A 25.450 12.891 0.546 1.000 1 A 66.990 1 ATOM 3071 H HG23 . ILE 188 188 ? A 25.663 13.329 2.251 1.000 1 A 66.990 1 ATOM 3072 H HD11 . ILE 188 188 ? A 23.391 12.510 -0.096 1.000 1 A 66.990 1 ATOM 3073 H HD12 . ILE 188 188 ? A 21.724 13.023 0.205 1.000 1 A 66.990 1 ATOM 3074 H HD13 . ILE 188 188 ? A 22.760 13.982 -0.865 1.000 1 A 66.990 1 ATOM 3075 N N . SER 189 189 ? A 26.706 17.273 1.323 1.000 1 A 68.070 1 ATOM 3076 C CA . SER 189 189 ? A 28.043 17.873 1.385 1.000 1 A 68.070 1 ATOM 3077 C C . SER 189 189 ? A 28.271 18.564 2.735 1.000 1 A 68.070 1 ATOM 3078 O O . SER 189 189 ? A 29.260 18.287 3.414 1.000 1 A 68.070 1 ATOM 3079 C CB . SER 189 189 ? A 28.213 18.865 0.231 1.000 1 A 68.070 1 ATOM 3080 O OG . SER 189 189 ? A 29.504 19.434 0.274 1.000 1 A 68.070 1 ATOM 3081 H H . SER 189 189 ? A 26.061 17.613 0.624 1.000 1 A 68.070 1 ATOM 3082 H HA . SER 189 189 ? A 28.795 17.090 1.279 1.000 1 A 68.070 1 ATOM 3083 H HB2 . SER 189 189 ? A 28.065 18.358 -0.722 1.000 1 A 68.070 1 ATOM 3084 H HB3 . SER 189 189 ? A 27.473 19.661 0.322 1.000 1 A 68.070 1 ATOM 3085 H HG . SER 189 189 ? A 30.129 18.870 -0.188 1.000 1 A 68.070 1 ATOM 3086 N N . LEU 190 190 ? A 27.296 19.354 3.196 1.000 1 A 70.050 1 ATOM 3087 C CA . LEU 190 190 ? A 27.355 20.027 4.495 1.000 1 A 70.050 1 ATOM 3088 C C . LEU 190 190 ? A 27.331 19.043 5.673 1.000 1 A 70.050 1 ATOM 3089 O O . LEU 190 190 ? A 28.130 19.175 6.596 1.000 1 A 70.050 1 ATOM 3090 C CB . LEU 190 190 ? A 26.193 21.029 4.598 1.000 1 A 70.050 1 ATOM 3091 C CG . LEU 190 190 ? A 26.278 22.208 3.611 1.000 1 A 70.050 1 ATOM 3092 C CD1 . LEU 190 190 ? A 24.987 23.021 3.694 1.000 1 A 70.050 1 ATOM 3093 C CD2 . LEU 190 190 ? A 27.460 23.129 3.913 1.000 1 A 70.050 1 ATOM 3094 H H . LEU 190 190 ? A 26.516 19.556 2.587 1.000 1 A 70.050 1 ATOM 3095 H HA . LEU 190 190 ? A 28.299 20.567 4.567 1.000 1 A 70.050 1 ATOM 3096 H HB2 . LEU 190 190 ? A 26.168 21.430 5.611 1.000 1 A 70.050 1 ATOM 3097 H HB3 . LEU 190 190 ? A 25.257 20.496 4.431 1.000 1 A 70.050 1 ATOM 3098 H HG . LEU 190 190 ? A 26.389 21.839 2.592 1.000 1 A 70.050 1 ATOM 3099 H HD11 . LEU 190 190 ? A 24.851 23.415 4.701 1.000 1 A 70.050 1 ATOM 3100 H HD12 . LEU 190 190 ? A 25.033 23.850 2.988 1.000 1 A 70.050 1 ATOM 3101 H HD13 . LEU 190 190 ? A 24.137 22.391 3.428 1.000 1 A 70.050 1 ATOM 3102 H HD21 . LEU 190 190 ? A 28.401 22.602 3.751 1.000 1 A 70.050 1 ATOM 3103 H HD22 . LEU 190 190 ? A 27.410 23.485 4.941 1.000 1 A 70.050 1 ATOM 3104 H HD23 . LEU 190 190 ? A 27.435 23.984 3.238 1.000 1 A 70.050 1 ATOM 3105 N N . PHE 191 191 ? A 26.460 18.031 5.637 1.000 1 A 68.840 1 ATOM 3106 C CA . PHE 191 191 ? A 26.360 17.025 6.694 1.000 1 A 68.840 1 ATOM 3107 C C . PHE 191 191 ? A 27.616 16.158 6.782 1.000 1 A 68.840 1 ATOM 3108 O O . PHE 191 191 ? A 28.094 15.890 7.877 1.000 1 A 68.840 1 ATOM 3109 C CB . PHE 191 191 ? A 25.126 16.142 6.473 1.000 1 A 68.840 1 ATOM 3110 C CG . PHE 191 191 ? A 24.992 15.047 7.518 1.000 1 A 68.840 1 ATOM 3111 C CD1 . PHE 191 191 ? A 25.396 13.728 7.228 1.000 1 A 68.840 1 ATOM 3112 C CD2 . PHE 191 191 ? A 24.521 15.363 8.806 1.000 1 A 68.840 1 ATOM 3113 C CE1 . PHE 191 191 ? A 25.322 12.733 8.219 1.000 1 A 68.840 1 ATOM 3114 C CE2 . PHE 191 191 ? A 24.443 14.368 9.795 1.000 1 A 68.840 1 ATOM 3115 C CZ . PHE 191 191 ? A 24.844 13.053 9.502 1.000 1 A 68.840 1 ATOM 3116 H H . PHE 191 191 ? A 25.792 18.006 4.880 1.000 1 A 68.840 1 ATOM 3117 H HA . PHE 191 191 ? A 26.252 17.534 7.652 1.000 1 A 68.840 1 ATOM 3118 H HB2 . PHE 191 191 ? A 25.180 15.689 5.483 1.000 1 A 68.840 1 ATOM 3119 H HB3 . PHE 191 191 ? A 24.234 16.768 6.503 1.000 1 A 68.840 1 ATOM 3120 H HD1 . PHE 191 191 ? A 25.778 13.484 6.248 1.000 1 A 68.840 1 ATOM 3121 H HD2 . PHE 191 191 ? A 24.230 16.377 9.041 1.000 1 A 68.840 1 ATOM 3122 H HE1 . PHE 191 191 ? A 25.644 11.725 8.001 1.000 1 A 68.840 1 ATOM 3123 H HE2 . PHE 191 191 ? A 24.089 14.621 10.784 1.000 1 A 68.840 1 ATOM 3124 H HZ . PHE 191 191 ? A 24.795 12.288 10.263 1.000 1 A 68.840 1 ATOM 3125 N N . THR 192 192 ? A 28.172 15.726 5.648 1.000 1 A 67.570 1 ATOM 3126 C CA . THR 192 192 ? A 29.420 14.950 5.632 1.000 1 A 67.570 1 ATOM 3127 C C . THR 192 192 ? A 30.589 15.788 6.127 1.000 1 A 67.570 1 ATOM 3128 O O . THR 192 192 ? A 31.309 15.316 7.002 1.000 1 A 67.570 1 ATOM 3129 C CB . THR 192 192 ? A 29.737 14.325 4.267 1.000 1 A 67.570 1 ATOM 3130 O OG1 . THR 192 192 ? A 29.675 15.257 3.219 1.000 1 A 67.570 1 ATOM 3131 C CG2 . THR 192 192 ? A 28.770 13.190 3.930 1.000 1 A 67.570 1 ATOM 3132 H H . THR 192 192 ? A 27.745 15.999 4.774 1.000 1 A 67.570 1 ATOM 3133 H HA . THR 192 192 ? A 29.318 14.133 6.346 1.000 1 A 67.570 1 ATOM 3134 H HB . THR 192 192 ? A 30.744 13.911 4.300 1.000 1 A 67.570 1 ATOM 3135 H HG1 . THR 192 192 ? A 28.779 15.599 3.181 1.000 1 A 67.570 1 ATOM 3136 H HG21 . THR 192 192 ? A 27.738 13.539 3.967 1.000 1 A 67.570 1 ATOM 3137 H HG22 . THR 192 192 ? A 28.990 12.809 2.932 1.000 1 A 67.570 1 ATOM 3138 H HG23 . THR 192 192 ? A 28.900 12.382 4.649 1.000 1 A 67.570 1 ATOM 3139 N N . SER 193 193 ? A 30.720 17.040 5.673 1.000 1 A 70.940 1 ATOM 3140 C CA . SER 193 193 ? A 31.690 18.001 6.212 1.000 1 A 70.940 1 ATOM 3141 C C . SER 193 193 ? A 31.558 18.132 7.735 1.000 1 A 70.940 1 ATOM 3142 O O . SER 193 193 ? A 32.506 17.857 8.467 1.000 1 A 70.940 1 ATOM 3143 C CB . SER 193 193 ? A 31.501 19.356 5.521 1.000 1 A 70.940 1 ATOM 3144 O OG . SER 193 193 ? A 32.445 20.284 6.006 1.000 1 A 70.940 1 ATOM 3145 H H . SER 193 193 ? A 30.113 17.351 4.928 1.000 1 A 70.940 1 ATOM 3146 H HA . SER 193 193 ? A 32.699 17.649 5.997 1.000 1 A 70.940 1 ATOM 3147 H HB2 . SER 193 193 ? A 31.639 19.233 4.446 1.000 1 A 70.940 1 ATOM 3148 H HB3 . SER 193 193 ? A 30.494 19.732 5.705 1.000 1 A 70.940 1 ATOM 3149 H HG . SER 193 193 ? A 32.349 21.112 5.531 1.000 1 A 70.940 1 ATOM 3150 N N . TRP 194 194 ? A 30.346 18.397 8.233 1.000 1 A 73.910 1 ATOM 3151 C CA . TRP 194 194 ? A 30.062 18.485 9.666 1.000 1 A 73.910 1 ATOM 3152 C C . TRP 194 194 ? A 30.390 17.190 10.424 1.000 1 A 73.910 1 ATOM 3153 O O . TRP 194 194 ? A 30.983 17.226 11.503 1.000 1 A 73.910 1 ATOM 3154 C CB . TRP 194 194 ? A 28.588 18.861 9.847 1.000 1 A 73.910 1 ATOM 3155 C CG . TRP 194 194 ? A 28.150 18.946 11.273 1.000 1 A 73.910 1 ATOM 3156 C CD1 . TRP 194 194 ? A 28.345 20.007 12.086 1.000 1 A 73.910 1 ATOM 3157 C CD2 . TRP 194 194 ? A 27.486 17.930 12.086 1.000 1 A 73.910 1 ATOM 3158 N NE1 . TRP 194 194 ? A 27.842 19.727 13.340 1.000 1 A 73.910 1 ATOM 3159 C CE2 . TRP 194 194 ? A 27.311 18.456 13.401 1.000 1 A 73.910 1 ATOM 3160 C CE3 . TRP 194 194 ? A 27.021 16.617 11.848 1.000 1 A 73.910 1 ATOM 3161 C CZ2 . TRP 194 194 ? A 26.708 17.721 14.430 1.000 1 A 73.910 1 ATOM 3162 C CZ3 . TRP 194 194 ? A 26.413 15.869 12.876 1.000 1 A 73.910 1 ATOM 3163 C CH2 . TRP 194 194 ? A 26.257 16.417 14.162 1.000 1 A 73.910 1 ATOM 3164 H H . TRP 194 194 ? A 29.597 18.606 7.588 1.000 1 A 73.910 1 ATOM 3165 H HA . TRP 194 194 ? A 30.679 19.273 10.096 1.000 1 A 73.910 1 ATOM 3166 H HB2 . TRP 194 194 ? A 27.962 18.124 9.343 1.000 1 A 73.910 1 ATOM 3167 H HB3 . TRP 194 194 ? A 28.409 19.825 9.371 1.000 1 A 73.910 1 ATOM 3168 H HD1 . TRP 194 194 ? A 28.827 20.928 11.792 1.000 1 A 73.910 1 ATOM 3169 H HE1 . TRP 194 194 ? A 27.873 20.382 14.109 1.000 1 A 73.910 1 ATOM 3170 H HE3 . TRP 194 194 ? A 27.139 16.189 10.864 1.000 1 A 73.910 1 ATOM 3171 H HZ2 . TRP 194 194 ? A 26.595 18.154 15.413 1.000 1 A 73.910 1 ATOM 3172 H HZ3 . TRP 194 194 ? A 26.068 14.866 12.673 1.000 1 A 73.910 1 ATOM 3173 H HH2 . TRP 194 194 ? A 25.791 15.837 14.945 1.000 1 A 73.910 1 ATOM 3174 N N . MET 195 195 ? A 30.049 16.032 9.862 1.000 1 A 67.590 1 ATOM 3175 C CA . MET 195 195 ? A 30.295 14.721 10.462 1.000 1 A 67.590 1 ATOM 3176 C C . MET 195 195 ? A 31.798 14.405 10.554 1.000 1 A 67.590 1 ATOM 3177 O O . MET 195 195 ? A 32.232 13.859 11.572 1.000 1 A 67.590 1 ATOM 3178 C CB . MET 195 195 ? A 29.529 13.672 9.645 1.000 1 A 67.590 1 ATOM 3179 C CG . MET 195 195 ? A 29.624 12.260 10.232 1.000 1 A 67.590 1 ATOM 3180 S SD . MET 195 195 ? A 28.748 10.958 9.313 1.000 1 A 67.590 1 ATOM 3181 C CE . MET 195 195 ? A 29.264 11.311 7.610 1.000 1 A 67.590 1 ATOM 3182 H H . MET 195 195 ? A 29.554 16.068 8.982 1.000 1 A 67.590 1 ATOM 3183 H HA . MET 195 195 ? A 29.897 14.728 11.476 1.000 1 A 67.590 1 ATOM 3184 H HB2 . MET 195 195 ? A 29.929 13.673 8.631 1.000 1 A 67.590 1 ATOM 3185 H HB3 . MET 195 195 ? A 28.475 13.949 9.608 1.000 1 A 67.590 1 ATOM 3186 H HG2 . MET 195 195 ? A 30.676 11.976 10.274 1.000 1 A 67.590 1 ATOM 3187 H HG3 . MET 195 195 ? A 29.241 12.278 11.252 1.000 1 A 67.590 1 ATOM 3188 H HE1 . MET 195 195 ? A 28.964 10.486 6.964 1.000 1 A 67.590 1 ATOM 3189 H HE2 . MET 195 195 ? A 30.347 11.427 7.566 1.000 1 A 67.590 1 ATOM 3190 H HE3 . MET 195 195 ? A 28.778 12.224 7.266 1.000 1 A 67.590 1 ATOM 3191 N N . PHE 196 196 ? A 32.595 14.774 9.541 1.000 1 A 69.540 1 ATOM 3192 C CA . PHE 196 196 ? A 34.057 14.646 9.567 1.000 1 A 69.540 1 ATOM 3193 C C . PHE 196 196 ? A 34.702 15.636 10.543 1.000 1 A 69.540 1 ATOM 3194 O O . PHE 196 196 ? A 35.615 15.251 11.269 1.000 1 A 69.540 1 ATOM 3195 C CB . PHE 196 196 ? A 34.644 14.805 8.152 1.000 1 A 69.540 1 ATOM 3196 C CG . PHE 196 196 ? A 34.446 13.599 7.250 1.000 1 A 69.540 1 ATOM 3197 C CD1 . PHE 196 196 ? A 35.059 12.372 7.571 1.000 1 A 69.540 1 ATOM 3198 C CD2 . PHE 196 196 ? A 33.680 13.698 6.074 1.000 1 A 69.540 1 ATOM 3199 C CE1 . PHE 196 196 ? A 34.870 11.248 6.748 1.000 1 A 69.540 1 ATOM 3200 C CE2 . PHE 196 196 ? A 33.469 12.570 5.263 1.000 1 A 69.540 1 ATOM 3201 C CZ . PHE 196 196 ? A 34.063 11.342 5.601 1.000 1 A 69.540 1 ATOM 3202 H H . PHE 196 196 ? A 32.176 15.210 8.732 1.000 1 A 69.540 1 ATOM 3203 H HA . PHE 196 196 ? A 34.313 13.651 9.931 1.000 1 A 69.540 1 ATOM 3204 H HB2 . PHE 196 196 ? A 34.221 15.695 7.685 1.000 1 A 69.540 1 ATOM 3205 H HB3 . PHE 196 196 ? A 35.718 14.968 8.242 1.000 1 A 69.540 1 ATOM 3206 H HD1 . PHE 196 196 ? A 35.681 12.296 8.451 1.000 1 A 69.540 1 ATOM 3207 H HD2 . PHE 196 196 ? A 33.272 14.653 5.778 1.000 1 A 69.540 1 ATOM 3208 H HE1 . PHE 196 196 ? A 35.350 10.312 6.995 1.000 1 A 69.540 1 ATOM 3209 H HE2 . PHE 196 196 ? A 32.882 12.658 4.360 1.000 1 A 69.540 1 ATOM 3210 H HZ . PHE 196 196 ? A 33.924 10.480 4.966 1.000 1 A 69.540 1 ATOM 3211 N N . SER 197 197 ? A 34.197 16.870 10.632 1.000 1 A 75.190 1 ATOM 3212 C CA . SER 197 197 ? A 34.712 17.875 11.570 1.000 1 A 75.190 1 ATOM 3213 C C . SER 197 197 ? A 34.396 17.569 13.038 1.000 1 A 75.190 1 ATOM 3214 O O . SER 197 197 ? A 35.164 17.953 13.913 1.000 1 A 75.190 1 ATOM 3215 C CB . SER 197 197 ? A 34.152 19.258 11.223 1.000 1 A 75.190 1 ATOM 3216 O OG . SER 197 197 ? A 34.532 19.643 9.918 1.000 1 A 75.190 1 ATOM 3217 H H . SER 197 197 ? A 33.515 17.169 9.950 1.000 1 A 75.190 1 ATOM 3218 H HA . SER 197 197 ? A 35.797 17.914 11.479 1.000 1 A 75.190 1 ATOM 3219 H HB2 . SER 197 197 ? A 33.064 19.236 11.287 1.000 1 A 75.190 1 ATOM 3220 H HB3 . SER 197 197 ? A 34.531 19.990 11.936 1.000 1 A 75.190 1 ATOM 3221 H HG . SER 197 197 ? A 35.489 19.676 9.856 1.000 1 A 75.190 1 ATOM 3222 N N . THR 198 198 ? A 33.286 16.884 13.334 1.000 1 A 69.510 1 ATOM 3223 C CA . THR 198 198 ? A 32.819 16.657 14.720 1.000 1 A 69.510 1 ATOM 3224 C C . THR 198 198 ? A 33.074 15.244 15.261 1.000 1 A 69.510 1 ATOM 3225 O O . THR 198 198 ? A 32.773 14.966 16.421 1.000 1 A 69.510 1 ATOM 3226 C CB . THR 198 198 ? A 31.339 17.033 14.881 1.000 1 A 69.510 1 ATOM 3227 O OG1 . THR 198 198 ? A 30.540 16.272 14.006 1.000 1 A 69.510 1 ATOM 3228 C CG2 . THR 198 198 ? A 31.080 18.517 14.613 1.000 1 A 69.510 1 ATOM 3229 H H . THR 198 198 ? A 32.664 16.649 12.574 1.000 1 A 69.510 1 ATOM 3230 H HA . THR 198 198 ? A 33.373 17.318 15.386 1.000 1 A 69.510 1 ATOM 3231 H HB . THR 198 198 ? A 31.031 16.818 15.905 1.000 1 A 69.510 1 ATOM 3232 H HG1 . THR 198 198 ? A 30.584 16.700 13.148 1.000 1 A 69.510 1 ATOM 3233 H HG21 . THR 198 198 ? A 31.314 18.775 13.580 1.000 1 A 69.510 1 ATOM 3234 H HG22 . THR 198 198 ? A 30.030 18.735 14.809 1.000 1 A 69.510 1 ATOM 3235 H HG23 . THR 198 198 ? A 31.695 19.121 15.279 1.000 1 A 69.510 1 ATOM 3236 N N . GLY 199 199 ? A 33.634 14.328 14.458 1.000 1 A 63.240 1 ATOM 3237 C CA . GLY 199 199 ? A 33.960 12.959 14.893 1.000 1 A 63.240 1 ATOM 3238 C C . GLY 199 199 ? A 32.740 12.074 15.209 1.000 1 A 63.240 1 ATOM 3239 O O . GLY 199 199 ? A 32.855 11.084 15.937 1.000 1 A 63.240 1 ATOM 3240 H H . GLY 199 199 ? A 33.877 14.610 13.519 1.000 1 A 63.240 1 ATOM 3241 H HA2 . GLY 199 199 ? A 34.532 12.476 14.101 1.000 1 A 63.240 1 ATOM 3242 H HA3 . GLY 199 199 ? A 34.584 13.011 15.786 1.000 1 A 63.240 1 ATOM 3243 N N . GLY 200 200 ? A 31.559 12.417 14.679 1.000 1 A 60.610 1 ATOM 3244 C CA . GLY 200 200 ? A 30.256 11.901 15.127 1.000 1 A 60.610 1 ATOM 3245 C C . GLY 200 200 ? A 29.959 10.416 14.863 1.000 1 A 60.610 1 ATOM 3246 O O . GLY 200 200 ? A 29.045 9.862 15.478 1.000 1 A 60.610 1 ATOM 3247 H H . GLY 200 200 ? A 31.555 13.232 14.083 1.000 1 A 60.610 1 ATOM 3248 H HA2 . GLY 200 200 ? A 30.169 12.073 16.200 1.000 1 A 60.610 1 ATOM 3249 H HA3 . GLY 200 200 ? A 29.476 12.483 14.636 1.000 1 A 60.610 1 ATOM 3250 N N . LEU 201 201 ? A 30.733 9.733 14.009 1.000 1 A 54.050 1 ATOM 3251 C CA . LEU 201 201 ? A 30.474 8.335 13.620 1.000 1 A 54.050 1 ATOM 3252 C C . LEU 201 201 ? A 30.495 7.347 14.797 1.000 1 A 54.050 1 ATOM 3253 O O . LEU 201 201 ? A 29.821 6.321 14.744 1.000 1 A 54.050 1 ATOM 3254 C CB . LEU 201 201 ? A 31.486 7.913 12.534 1.000 1 A 54.050 1 ATOM 3255 C CG . LEU 201 201 ? A 30.991 8.227 11.110 1.000 1 A 54.050 1 ATOM 3256 C CD1 . LEU 201 201 ? A 32.168 8.315 10.141 1.000 1 A 54.050 1 ATOM 3257 C CD2 . LEU 201 201 ? A 30.030 7.145 10.608 1.000 1 A 54.050 1 ATOM 3258 H H . LEU 201 201 ? A 31.479 10.237 13.551 1.000 1 A 54.050 1 ATOM 3259 H HA . LEU 201 201 ? A 29.468 8.276 13.205 1.000 1 A 54.050 1 ATOM 3260 H HB2 . LEU 201 201 ? A 31.675 6.841 12.601 1.000 1 A 54.050 1 ATOM 3261 H HB3 . LEU 201 201 ? A 32.434 8.418 12.717 1.000 1 A 54.050 1 ATOM 3262 H HG . LEU 201 201 ? A 30.481 9.191 11.112 1.000 1 A 54.050 1 ATOM 3263 H HD11 . LEU 201 201 ? A 32.843 9.114 10.448 1.000 1 A 54.050 1 ATOM 3264 H HD12 . LEU 201 201 ? A 32.710 7.369 10.117 1.000 1 A 54.050 1 ATOM 3265 H HD13 . LEU 201 201 ? A 31.801 8.544 9.141 1.000 1 A 54.050 1 ATOM 3266 H HD21 . LEU 201 201 ? A 29.671 7.413 9.614 1.000 1 A 54.050 1 ATOM 3267 H HD22 . LEU 201 201 ? A 30.536 6.181 10.558 1.000 1 A 54.050 1 ATOM 3268 H HD23 . LEU 201 201 ? A 29.173 7.068 11.276 1.000 1 A 54.050 1 ATOM 3269 N N . ARG 202 202 ? A 31.226 7.642 15.880 1.000 1 A 56.880 1 ATOM 3270 C CA . ARG 202 202 ? A 31.406 6.681 16.982 1.000 1 A 56.880 1 ATOM 3271 C C . ARG 202 202 ? A 30.215 6.545 17.937 1.000 1 A 56.880 1 ATOM 3272 O O . ARG 202 202 ? A 30.237 5.624 18.744 1.000 1 A 56.880 1 ATOM 3273 C CB . ARG 202 202 ? A 32.719 6.960 17.739 1.000 1 A 56.880 1 ATOM 3274 C CG . ARG 202 202 ? A 33.932 6.393 16.985 1.000 1 A 56.880 1 ATOM 3275 C CD . ARG 202 202 ? A 35.203 6.494 17.840 1.000 1 A 56.880 1 ATOM 3276 N NE . ARG 202 202 ? A 36.367 5.891 17.159 1.000 1 A 56.880 1 ATOM 3277 C CZ . ARG 202 202 ? A 37.534 5.594 17.706 1.000 1 A 56.880 1 ATOM 3278 N NH1 . ARG 202 202 ? A 37.788 5.816 18.967 1.000 1 A 56.880 1 ATOM 3279 N NH2 . ARG 202 202 ? A 38.484 5.063 16.989 1.000 1 A 56.880 1 ATOM 3280 H H . ARG 202 202 ? A 31.726 8.520 15.889 1.000 1 A 56.880 1 ATOM 3281 H HA . ARG 202 202 ? A 31.481 5.684 16.547 1.000 1 A 56.880 1 ATOM 3282 H HB2 . ARG 202 202 ? A 32.677 6.475 18.714 1.000 1 A 56.880 1 ATOM 3283 H HB3 . ARG 202 202 ? A 32.840 8.031 17.897 1.000 1 A 56.880 1 ATOM 3284 H HG2 . ARG 202 202 ? A 33.752 5.343 16.753 1.000 1 A 56.880 1 ATOM 3285 H HG3 . ARG 202 202 ? A 34.072 6.942 16.054 1.000 1 A 56.880 1 ATOM 3286 H HD2 . ARG 202 202 ? A 35.407 7.545 18.046 1.000 1 A 56.880 1 ATOM 3287 H HD3 . ARG 202 202 ? A 35.025 5.977 18.783 1.000 1 A 56.880 1 ATOM 3288 H HE . ARG 202 202 ? A 36.264 5.689 16.175 1.000 1 A 56.880 1 ATOM 3289 H HH11 . ARG 202 202 ? A 37.076 6.232 19.549 1.000 1 A 56.880 1 ATOM 3290 H HH12 . ARG 202 202 ? A 38.689 5.581 19.359 1.000 1 A 56.880 1 ATOM 3291 H HH21 . ARG 202 202 ? A 38.344 4.868 16.008 1.000 1 A 56.880 1 ATOM 3292 H HH22 . ARG 202 202 ? A 39.376 4.845 17.408 1.000 1 A 56.880 1 ATOM 3293 N N . LYS 203 203 ? A 29.201 7.423 17.902 1.000 1 A 56.820 1 ATOM 3294 C CA . LYS 203 203 ? A 28.251 7.529 19.032 1.000 1 A 56.820 1 ATOM 3295 C C . LYS 203 203 ? A 26.802 7.100 18.795 1.000 1 A 56.820 1 ATOM 3296 O O . LYS 203 203 ? A 26.071 7.036 19.779 1.000 1 A 56.820 1 ATOM 3297 C CB . LYS 203 203 ? A 28.363 8.907 19.707 1.000 1 A 56.820 1 ATOM 3298 C CG . LYS 203 203 ? A 29.710 9.075 20.435 1.000 1 A 56.820 1 ATOM 3299 C CD . LYS 203 203 ? A 29.666 10.247 21.426 1.000 1 A 56.820 1 ATOM 3300 C CE . LYS 203 203 ? A 31.004 10.379 22.167 1.000 1 A 56.820 1 ATOM 3301 N NZ . LYS 203 203 ? A 30.960 11.447 23.202 1.000 1 A 56.820 1 ATOM 3302 H H . LYS 203 203 ? A 29.214 8.135 17.185 1.000 1 A 56.820 1 ATOM 3303 H HA . LYS 203 203 ? A 28.552 6.814 19.798 1.000 1 A 56.820 1 ATOM 3304 H HB2 . LYS 203 203 ? A 28.235 9.699 18.968 1.000 1 A 56.820 1 ATOM 3305 H HB3 . LYS 203 203 ? A 27.566 9.000 20.445 1.000 1 A 56.820 1 ATOM 3306 H HG2 . LYS 203 203 ? A 30.500 9.242 19.703 1.000 1 A 56.820 1 ATOM 3307 H HG3 . LYS 203 203 ? A 29.935 8.165 20.991 1.000 1 A 56.820 1 ATOM 3308 H HD2 . LYS 203 203 ? A 28.869 10.068 22.149 1.000 1 A 56.820 1 ATOM 3309 H HD3 . LYS 203 203 ? A 29.453 11.167 20.884 1.000 1 A 56.820 1 ATOM 3310 H HE2 . LYS 203 203 ? A 31.238 9.422 22.634 1.000 1 A 56.820 1 ATOM 3311 H HE3 . LYS 203 203 ? A 31.785 10.596 21.438 1.000 1 A 56.820 1 ATOM 3312 H HZ1 . LYS 203 203 ? A 30.251 11.250 23.894 1.000 1 A 56.820 1 ATOM 3313 H HZ2 . LYS 203 203 ? A 30.756 12.343 22.783 1.000 1 A 56.820 1 ATOM 3314 H HZ3 . LYS 203 203 ? A 31.848 11.522 23.677 1.000 1 A 56.820 1 ATOM 3315 N N . SER 204 204 ? A 26.341 6.768 17.582 1.000 1 A 53.130 1 ATOM 3316 C CA . SER 204 204 ? A 24.982 6.203 17.467 1.000 1 A 53.130 1 ATOM 3317 C C . SER 204 204 ? A 24.722 5.334 16.223 1.000 1 A 53.130 1 ATOM 3318 O O . SER 204 204 ? A 24.985 5.765 15.098 1.000 1 A 53.130 1 ATOM 3319 C CB . SER 204 204 ? A 23.908 7.295 17.586 1.000 1 A 53.130 1 ATOM 3320 O OG . SER 204 204 ? A 23.762 8.028 16.396 1.000 1 A 53.130 1 ATOM 3321 H H . SER 204 204 ? A 26.957 6.778 16.782 1.000 1 A 53.130 1 ATOM 3322 H HA . SER 204 204 ? A 24.842 5.578 18.349 1.000 1 A 53.130 1 ATOM 3323 H HB2 . SER 204 204 ? A 22.954 6.816 17.809 1.000 1 A 53.130 1 ATOM 3324 H HB3 . SER 204 204 ? A 24.142 7.973 18.407 1.000 1 A 53.130 1 ATOM 3325 H HG . SER 204 204 ? A 24.554 8.557 16.275 1.000 1 A 53.130 1 ATOM 3326 N N . PRO 205 205 ? A 24.097 4.151 16.387 1.000 1 A 57.780 1 ATOM 3327 C CA . PRO 205 205 ? A 23.609 3.338 15.269 1.000 1 A 57.780 1 ATOM 3328 C C . PRO 205 205 ? A 22.586 4.063 14.378 1.000 1 A 57.780 1 ATOM 3329 O O . PRO 205 205 ? A 22.544 3.836 13.171 1.000 1 A 57.780 1 ATOM 3330 C CB . PRO 205 205 ? A 22.987 2.095 15.918 1.000 1 A 57.780 1 ATOM 3331 C CG . PRO 205 205 ? A 23.716 1.972 17.253 1.000 1 A 57.780 1 ATOM 3332 C CD . PRO 205 205 ? A 23.952 3.425 17.643 1.000 1 A 57.780 1 ATOM 3333 H HA . PRO 205 205 ? A 24.459 3.036 14.656 1.000 1 A 57.780 1 ATOM 3334 H HB2 . PRO 205 205 ? A 21.925 2.258 16.106 1.000 1 A 57.780 1 ATOM 3335 H HB3 . PRO 205 205 ? A 23.127 1.208 15.300 1.000 1 A 57.780 1 ATOM 3336 H HG2 . PRO 205 205 ? A 24.673 1.474 17.103 1.000 1 A 57.780 1 ATOM 3337 H HG3 . PRO 205 205 ? A 23.120 1.444 17.997 1.000 1 A 57.780 1 ATOM 3338 H HD2 . PRO 205 205 ? A 24.852 3.487 18.254 1.000 1 A 57.780 1 ATOM 3339 H HD3 . PRO 205 205 ? A 23.091 3.807 18.192 1.000 1 A 57.780 1 ATOM 3340 N N . LYS 206 206 ? A 21.784 4.978 14.951 1.000 1 A 59.520 1 ATOM 3341 C CA . LYS 206 206 ? A 20.801 5.782 14.199 1.000 1 A 59.520 1 ATOM 3342 C C . LYS 206 206 ? A 21.469 6.694 13.165 1.000 1 A 59.520 1 ATOM 3343 O O . LYS 206 206 ? A 20.965 6.798 12.050 1.000 1 A 59.520 1 ATOM 3344 C CB . LYS 206 206 ? A 19.918 6.612 15.150 1.000 1 A 59.520 1 ATOM 3345 C CG . LYS 206 206 ? A 18.928 5.760 15.964 1.000 1 A 59.520 1 ATOM 3346 C CD . LYS 206 206 ? A 17.991 6.648 16.803 1.000 1 A 59.520 1 ATOM 3347 C CE . LYS 206 206 ? A 16.995 5.790 17.600 1.000 1 A 59.520 1 ATOM 3348 N NZ . LYS 206 206 ? A 16.075 6.616 18.427 1.000 1 A 59.520 1 ATOM 3349 H H . LYS 206 206 ? A 21.881 5.130 15.944 1.000 1 A 59.520 1 ATOM 3350 H HA . LYS 206 206 ? A 20.164 5.111 13.624 1.000 1 A 59.520 1 ATOM 3351 H HB2 . LYS 206 206 ? A 19.342 7.315 14.549 1.000 1 A 59.520 1 ATOM 3352 H HB3 . LYS 206 206 ? A 20.551 7.187 15.826 1.000 1 A 59.520 1 ATOM 3353 H HG2 . LYS 206 206 ? A 18.330 5.158 15.281 1.000 1 A 59.520 1 ATOM 3354 H HG3 . LYS 206 206 ? A 19.482 5.094 16.626 1.000 1 A 59.520 1 ATOM 3355 H HD2 . LYS 206 206 ? A 17.443 7.314 16.137 1.000 1 A 59.520 1 ATOM 3356 H HD3 . LYS 206 206 ? A 18.589 7.247 17.490 1.000 1 A 59.520 1 ATOM 3357 H HE2 . LYS 206 206 ? A 17.556 5.108 18.238 1.000 1 A 59.520 1 ATOM 3358 H HE3 . LYS 206 206 ? A 16.421 5.185 16.899 1.000 1 A 59.520 1 ATOM 3359 H HZ1 . LYS 206 206 ? A 16.587 7.167 19.101 1.000 1 A 59.520 1 ATOM 3360 H HZ2 . LYS 206 206 ? A 15.528 7.238 17.848 1.000 1 A 59.520 1 ATOM 3361 H HZ3 . LYS 206 206 ? A 15.434 6.024 18.935 1.000 1 A 59.520 1 ATOM 3362 N N . LEU 207 207 ? A 22.607 7.314 13.504 1.000 1 A 59.600 1 ATOM 3363 C CA . LEU 207 207 ? A 23.380 8.124 12.553 1.000 1 A 59.600 1 ATOM 3364 C C . LEU 207 207 ? A 23.971 7.267 11.430 1.000 1 A 59.600 1 ATOM 3365 O O . LEU 207 207 ? A 23.980 7.707 10.285 1.000 1 A 59.600 1 ATOM 3366 C CB . LEU 207 207 ? A 24.506 8.885 13.277 1.000 1 A 59.600 1 ATOM 3367 C CG . LEU 207 207 ? A 24.040 10.119 14.071 1.000 1 A 59.600 1 ATOM 3368 C CD1 . LEU 207 207 ? A 25.181 10.620 14.962 1.000 1 A 59.600 1 ATOM 3369 C CD2 . LEU 207 207 ? A 23.624 11.270 13.154 1.000 1 A 59.600 1 ATOM 3370 H H . LEU 207 207 ? A 22.980 7.184 14.433 1.000 1 A 59.600 1 ATOM 3371 H HA . LEU 207 207 ? A 22.714 8.840 12.071 1.000 1 A 59.600 1 ATOM 3372 H HB2 . LEU 207 207 ? A 25.025 8.193 13.940 1.000 1 A 59.600 1 ATOM 3373 H HB3 . LEU 207 207 ? A 25.233 9.221 12.538 1.000 1 A 59.600 1 ATOM 3374 H HG . LEU 207 207 ? A 23.188 9.856 14.699 1.000 1 A 59.600 1 ATOM 3375 H HD11 . LEU 207 207 ? A 25.994 10.996 14.342 1.000 1 A 59.600 1 ATOM 3376 H HD12 . LEU 207 207 ? A 24.821 11.431 15.596 1.000 1 A 59.600 1 ATOM 3377 H HD13 . LEU 207 207 ? A 25.576 9.822 15.591 1.000 1 A 59.600 1 ATOM 3378 H HD21 . LEU 207 207 ? A 24.455 11.552 12.508 1.000 1 A 59.600 1 ATOM 3379 H HD22 . LEU 207 207 ? A 23.337 12.133 13.755 1.000 1 A 59.600 1 ATOM 3380 H HD23 . LEU 207 207 ? A 22.772 10.982 12.540 1.000 1 A 59.600 1 ATOM 3381 N N . LEU 208 208 ? A 24.407 6.040 11.733 1.000 1 A 55.490 1 ATOM 3382 C CA . LEU 208 208 ? A 24.917 5.115 10.720 1.000 1 A 55.490 1 ATOM 3383 C C . LEU 208 208 ? A 23.825 4.743 9.704 1.000 1 A 55.490 1 ATOM 3384 O O . LEU 208 208 ? A 24.055 4.810 8.500 1.000 1 A 55.490 1 ATOM 3385 C CB . LEU 208 208 ? A 25.488 3.860 11.407 1.000 1 A 55.490 1 ATOM 3386 C CG . LEU 208 208 ? A 26.602 3.209 10.565 1.000 1 A 55.490 1 ATOM 3387 C CD1 . LEU 208 208 ? A 27.970 3.741 11.000 1.000 1 A 55.490 1 ATOM 3388 C CD2 . LEU 208 208 ? A 26.597 1.691 10.726 1.000 1 A 55.490 1 ATOM 3389 H H . LEU 208 208 ? A 24.395 5.744 12.698 1.000 1 A 55.490 1 ATOM 3390 H HA . LEU 208 208 ? A 25.717 5.620 10.178 1.000 1 A 55.490 1 ATOM 3391 H HB2 . LEU 208 208 ? A 25.887 4.118 12.388 1.000 1 A 55.490 1 ATOM 3392 H HB3 . LEU 208 208 ? A 24.679 3.147 11.565 1.000 1 A 55.490 1 ATOM 3393 H HG . LEU 208 208 ? A 26.450 3.433 9.509 1.000 1 A 55.490 1 ATOM 3394 H HD11 . LEU 208 208 ? A 27.994 4.825 10.887 1.000 1 A 55.490 1 ATOM 3395 H HD12 . LEU 208 208 ? A 28.167 3.481 12.040 1.000 1 A 55.490 1 ATOM 3396 H HD13 . LEU 208 208 ? A 28.747 3.308 10.371 1.000 1 A 55.490 1 ATOM 3397 H HD21 . LEU 208 208 ? A 26.743 1.422 11.772 1.000 1 A 55.490 1 ATOM 3398 H HD22 . LEU 208 208 ? A 27.398 1.256 10.128 1.000 1 A 55.490 1 ATOM 3399 H HD23 . LEU 208 208 ? A 25.647 1.287 10.376 1.000 1 A 55.490 1 ATOM 3400 N N . LEU 209 209 ? A 22.615 4.418 10.180 1.000 1 A 55.160 1 ATOM 3401 C CA . LEU 209 209 ? A 21.471 4.119 9.313 1.000 1 A 55.160 1 ATOM 3402 C C . LEU 209 209 ? A 21.071 5.332 8.460 1.000 1 A 55.160 1 ATOM 3403 O O . LEU 209 209 ? A 20.815 5.188 7.266 1.000 1 A 55.160 1 ATOM 3404 C CB . LEU 209 209 ? A 20.297 3.629 10.181 1.000 1 A 55.160 1 ATOM 3405 C CG . LEU 209 209 ? A 19.065 3.179 9.369 1.000 1 A 55.160 1 ATOM 3406 C CD1 . LEU 209 209 ? A 19.361 1.950 8.506 1.000 1 A 55.160 1 ATOM 3407 C CD2 . LEU 209 209 ? A 17.923 2.831 10.323 1.000 1 A 55.160 1 ATOM 3408 H H . LEU 209 209 ? A 22.499 4.350 11.181 1.000 1 A 55.160 1 ATOM 3409 H HA . LEU 209 209 ? A 21.768 3.324 8.630 1.000 1 A 55.160 1 ATOM 3410 H HB2 . LEU 209 209 ? A 20.637 2.794 10.794 1.000 1 A 55.160 1 ATOM 3411 H HB3 . LEU 209 209 ? A 19.999 4.437 10.849 1.000 1 A 55.160 1 ATOM 3412 H HG . LEU 209 209 ? A 18.728 3.993 8.727 1.000 1 A 55.160 1 ATOM 3413 H HD11 . LEU 209 209 ? A 18.445 1.618 8.017 1.000 1 A 55.160 1 ATOM 3414 H HD12 . LEU 209 209 ? A 19.760 1.142 9.119 1.000 1 A 55.160 1 ATOM 3415 H HD13 . LEU 209 209 ? A 20.076 2.209 7.725 1.000 1 A 55.160 1 ATOM 3416 H HD21 . LEU 209 209 ? A 17.672 3.701 10.930 1.000 1 A 55.160 1 ATOM 3417 H HD22 . LEU 209 209 ? A 17.042 2.542 9.750 1.000 1 A 55.160 1 ATOM 3418 H HD23 . LEU 209 209 ? A 18.214 2.006 10.973 1.000 1 A 55.160 1 ATOM 3419 N N . LEU 210 210 ? A 21.070 6.532 9.051 1.000 1 A 59.070 1 ATOM 3420 C CA . LEU 210 210 ? A 20.819 7.772 8.318 1.000 1 A 59.070 1 ATOM 3421 C C . LEU 210 210 ? A 21.876 7.992 7.226 1.000 1 A 59.070 1 ATOM 3422 O O . LEU 210 210 ? A 21.517 8.305 6.095 1.000 1 A 59.070 1 ATOM 3423 C CB . LEU 210 210 ? A 20.770 8.948 9.310 1.000 1 A 59.070 1 ATOM 3424 C CG . LEU 210 210 ? A 20.355 10.283 8.664 1.000 1 A 59.070 1 ATOM 3425 C CD1 . LEU 210 210 ? A 18.881 10.284 8.248 1.000 1 A 59.070 1 ATOM 3426 C CD2 . LEU 210 210 ? A 20.581 11.429 9.649 1.000 1 A 59.070 1 ATOM 3427 H H . LEU 210 210 ? A 21.264 6.585 10.041 1.000 1 A 59.070 1 ATOM 3428 H HA . LEU 210 210 ? A 19.853 7.678 7.824 1.000 1 A 59.070 1 ATOM 3429 H HB2 . LEU 210 210 ? A 21.758 9.068 9.753 1.000 1 A 59.070 1 ATOM 3430 H HB3 . LEU 210 210 ? A 20.070 8.713 10.112 1.000 1 A 59.070 1 ATOM 3431 H HG . LEU 210 210 ? A 20.971 10.472 7.785 1.000 1 A 59.070 1 ATOM 3432 H HD11 . LEU 210 210 ? A 18.714 9.545 7.464 1.000 1 A 59.070 1 ATOM 3433 H HD12 . LEU 210 210 ? A 18.618 11.263 7.849 1.000 1 A 59.070 1 ATOM 3434 H HD13 . LEU 210 210 ? A 18.247 10.061 9.106 1.000 1 A 59.070 1 ATOM 3435 H HD21 . LEU 210 210 ? A 19.982 11.280 10.547 1.000 1 A 59.070 1 ATOM 3436 H HD22 . LEU 210 210 ? A 20.306 12.374 9.182 1.000 1 A 59.070 1 ATOM 3437 H HD23 . LEU 210 210 ? A 21.636 11.477 9.918 1.000 1 A 59.070 1 ATOM 3438 N N . ALA 211 211 ? A 23.158 7.776 7.532 1.000 1 A 59.710 1 ATOM 3439 C CA . ALA 211 211 ? A 24.250 7.897 6.571 1.000 1 A 59.710 1 ATOM 3440 C C . ALA 211 211 ? A 24.130 6.884 5.420 1.000 1 A 59.710 1 ATOM 3441 O O . ALA 211 211 ? A 24.321 7.257 4.265 1.000 1 A 59.710 1 ATOM 3442 C CB . ALA 211 211 ? A 25.584 7.757 7.314 1.000 1 A 59.710 1 ATOM 3443 H H . ALA 211 211 ? A 23.394 7.536 8.485 1.000 1 A 59.710 1 ATOM 3444 H HA . ALA 211 211 ? A 24.213 8.895 6.133 1.000 1 A 59.710 1 ATOM 3445 H HB1 . ALA 211 211 ? A 25.665 6.768 7.766 1.000 1 A 59.710 1 ATOM 3446 H HB2 . ALA 211 211 ? A 26.408 7.895 6.614 1.000 1 A 59.710 1 ATOM 3447 H HB3 . ALA 211 211 ? A 25.654 8.514 8.095 1.000 1 A 59.710 1 ATOM 3448 N N . VAL 212 212 ? A 23.758 5.630 5.705 1.000 1 A 60.790 1 ATOM 3449 C CA . VAL 212 212 ? A 23.506 4.603 4.677 1.000 1 A 60.790 1 ATOM 3450 C C . VAL 212 212 ? A 22.337 5.003 3.774 1.000 1 A 60.790 1 ATOM 3451 O O . VAL 212 212 ? A 22.469 4.937 2.552 1.000 1 A 60.790 1 ATOM 3452 C CB . VAL 212 212 ? A 23.264 3.222 5.322 1.000 1 A 60.790 1 ATOM 3453 C CG1 . VAL 212 212 ? A 22.783 2.172 4.311 1.000 1 A 60.790 1 ATOM 3454 C CG2 . VAL 212 212 ? A 24.559 2.683 5.945 1.000 1 A 60.790 1 ATOM 3455 H H . VAL 212 212 ? A 23.653 5.375 6.677 1.000 1 A 60.790 1 ATOM 3456 H HA . VAL 212 212 ? A 24.384 4.526 4.037 1.000 1 A 60.790 1 ATOM 3457 H HB . VAL 212 212 ? A 22.511 3.316 6.105 1.000 1 A 60.790 1 ATOM 3458 H HG11 . VAL 212 212 ? A 22.723 1.195 4.791 1.000 1 A 60.790 1 ATOM 3459 H HG12 . VAL 212 212 ? A 23.473 2.116 3.469 1.000 1 A 60.790 1 ATOM 3460 H HG13 . VAL 212 212 ? A 21.787 2.424 3.946 1.000 1 A 60.790 1 ATOM 3461 H HG21 . VAL 212 212 ? A 25.298 2.493 5.166 1.000 1 A 60.790 1 ATOM 3462 H HG22 . VAL 212 212 ? A 24.977 3.401 6.651 1.000 1 A 60.790 1 ATOM 3463 H HG23 . VAL 212 212 ? A 24.353 1.754 6.478 1.000 1 A 60.790 1 ATOM 3464 N N . ASN 213 213 ? A 21.226 5.483 4.343 1.000 1 A 60.700 1 ATOM 3465 C CA . ASN 213 213 ? A 20.081 5.962 3.562 1.000 1 A 60.700 1 ATOM 3466 C C . ASN 213 213 ? A 20.456 7.173 2.698 1.000 1 A 60.700 1 ATOM 3467 O O . ASN 213 213 ? A 20.117 7.214 1.517 1.000 1 A 60.700 1 ATOM 3468 C CB . ASN 213 213 ? A 18.911 6.294 4.505 1.000 1 A 60.700 1 ATOM 3469 C CG . ASN 213 213 ? A 18.209 5.065 5.056 1.000 1 A 60.700 1 ATOM 3470 O OD1 . ASN 213 213 ? A 18.460 3.932 4.685 1.000 1 A 60.700 1 ATOM 3471 N ND2 . ASN 213 213 ? A 17.259 5.254 5.941 1.000 1 A 60.700 1 ATOM 3472 H H . ASN 213 213 ? A 21.156 5.478 5.351 1.000 1 A 60.700 1 ATOM 3473 H HA . ASN 213 213 ? A 19.764 5.175 2.878 1.000 1 A 60.700 1 ATOM 3474 H HB2 . ASN 213 213 ? A 18.167 6.866 3.952 1.000 1 A 60.700 1 ATOM 3475 H HB3 . ASN 213 213 ? A 19.265 6.905 5.335 1.000 1 A 60.700 1 ATOM 3476 H HD21 . ASN 213 213 ? A 16.938 6.187 6.156 1.000 1 A 60.700 1 ATOM 3477 H HD22 . ASN 213 213 ? A 16.747 4.428 6.215 1.000 1 A 60.700 1 ATOM 3478 N N . ILE 214 214 ? A 21.222 8.116 3.256 1.000 1 A 62.900 1 ATOM 3479 C CA . ILE 214 214 ? A 21.780 9.265 2.534 1.000 1 A 62.900 1 ATOM 3480 C C . ILE 214 214 ? A 22.658 8.806 1.363 1.000 1 A 62.900 1 ATOM 3481 O O . ILE 214 214 ? A 22.575 9.370 0.275 1.000 1 A 62.900 1 ATOM 3482 C CB . ILE 214 214 ? A 22.556 10.168 3.525 1.000 1 A 62.900 1 ATOM 3483 C CG1 . ILE 214 214 ? A 21.565 11.027 4.342 1.000 1 A 62.900 1 ATOM 3484 C CG2 . ILE 214 214 ? A 23.579 11.048 2.795 1.000 1 A 62.900 1 ATOM 3485 C CD1 . ILE 214 214 ? A 22.208 11.762 5.528 1.000 1 A 62.900 1 ATOM 3486 H H . ILE 214 214 ? A 21.438 8.026 4.238 1.000 1 A 62.900 1 ATOM 3487 H HA . ILE 214 214 ? A 20.961 9.842 2.104 1.000 1 A 62.900 1 ATOM 3488 H HB . ILE 214 214 ? A 23.110 9.535 4.218 1.000 1 A 62.900 1 ATOM 3489 H HG12 . ILE 214 214 ? A 20.774 10.389 4.736 1.000 1 A 62.900 1 ATOM 3490 H HG13 . ILE 214 214 ? A 21.097 11.761 3.685 1.000 1 A 62.900 1 ATOM 3491 H HG21 . ILE 214 214 ? A 23.995 11.810 3.455 1.000 1 A 62.900 1 ATOM 3492 H HG22 . ILE 214 214 ? A 23.090 11.511 1.938 1.000 1 A 62.900 1 ATOM 3493 H HG23 . ILE 214 214 ? A 24.412 10.440 2.442 1.000 1 A 62.900 1 ATOM 3494 H HD11 . ILE 214 214 ? A 22.758 11.057 6.151 1.000 1 A 62.900 1 ATOM 3495 H HD12 . ILE 214 214 ? A 22.879 12.548 5.184 1.000 1 A 62.900 1 ATOM 3496 H HD13 . ILE 214 214 ? A 21.424 12.227 6.127 1.000 1 A 62.900 1 ATOM 3497 N N . MET 215 215 ? A 23.491 7.784 1.558 1.000 1 A 63.820 1 ATOM 3498 C CA . MET 215 215 ? A 24.399 7.283 0.526 1.000 1 A 63.820 1 ATOM 3499 C C . MET 215 215 ? A 23.656 6.525 -0.576 1.000 1 A 63.820 1 ATOM 3500 O O . MET 215 215 ? A 23.945 6.726 -1.754 1.000 1 A 63.820 1 ATOM 3501 C CB . MET 215 215 ? A 25.472 6.417 1.194 1.000 1 A 63.820 1 ATOM 3502 C CG . MET 215 215 ? A 26.780 6.409 0.401 1.000 1 A 63.820 1 ATOM 3503 S SD . MET 215 215 ? A 28.231 5.941 1.386 1.000 1 A 63.820 1 ATOM 3504 C CE . MET 215 215 ? A 28.289 7.290 2.605 1.000 1 A 63.820 1 ATOM 3505 H H . MET 215 215 ? A 23.548 7.383 2.483 1.000 1 A 63.820 1 ATOM 3506 H HA . MET 215 215 ? A 24.882 8.144 0.064 1.000 1 A 63.820 1 ATOM 3507 H HB2 . MET 215 215 ? A 25.114 5.398 1.338 1.000 1 A 63.820 1 ATOM 3508 H HB3 . MET 215 215 ? A 25.679 6.841 2.177 1.000 1 A 63.820 1 ATOM 3509 H HG2 . MET 215 215 ? A 26.680 5.723 -0.440 1.000 1 A 63.820 1 ATOM 3510 H HG3 . MET 215 215 ? A 26.963 7.407 0.002 1.000 1 A 63.820 1 ATOM 3511 H HE1 . MET 215 215 ? A 29.225 7.227 3.159 1.000 1 A 63.820 1 ATOM 3512 H HE2 . MET 215 215 ? A 28.239 8.252 2.095 1.000 1 A 63.820 1 ATOM 3513 H HE3 . MET 215 215 ? A 27.463 7.201 3.311 1.000 1 A 63.820 1 ATOM 3514 N N . SER 216 216 ? A 22.654 5.721 -0.207 1.000 1 A 60.210 1 ATOM 3515 C CA . SER 216 216 ? A 21.737 5.071 -1.150 1.000 1 A 60.210 1 ATOM 3516 C C . SER 216 216 ? A 20.988 6.110 -1.988 1.000 1 A 60.210 1 ATOM 3517 O O . SER 216 216 ? A 20.982 6.028 -3.217 1.000 1 A 60.210 1 ATOM 3518 C CB . SER 216 216 ? A 20.749 4.184 -0.387 1.000 1 A 60.210 1 ATOM 3519 O OG . SER 216 216 ? A 19.936 3.494 -1.311 1.000 1 A 60.210 1 ATOM 3520 H H . SER 216 216 ? A 22.494 5.588 0.782 1.000 1 A 60.210 1 ATOM 3521 H HA . SER 216 216 ? A 22.309 4.440 -1.829 1.000 1 A 60.210 1 ATOM 3522 H HB2 . SER 216 216 ? A 21.301 3.463 0.217 1.000 1 A 60.210 1 ATOM 3523 H HB3 . SER 216 216 ? A 20.127 4.795 0.267 1.000 1 A 60.210 1 ATOM 3524 H HG . SER 216 216 ? A 19.309 2.940 -0.838 1.000 1 A 60.210 1 ATOM 3525 N N . MET 217 217 ? A 20.467 7.161 -1.343 1.000 1 A 62.450 1 ATOM 3526 C CA . MET 217 217 ? A 19.875 8.308 -2.028 1.000 1 A 62.450 1 ATOM 3527 C C . MET 217 217 ? A 20.877 8.997 -2.950 1.000 1 A 62.450 1 ATOM 3528 O O . MET 217 217 ? A 20.564 9.206 -4.112 1.000 1 A 62.450 1 ATOM 3529 C CB . MET 217 217 ? A 19.328 9.317 -1.015 1.000 1 A 62.450 1 ATOM 3530 C CG . MET 217 217 ? A 17.924 8.931 -0.554 1.000 1 A 62.450 1 ATOM 3531 S SD . MET 217 217 ? A 17.230 9.914 0.803 1.000 1 A 62.450 1 ATOM 3532 C CE . MET 217 217 ? A 17.907 11.549 0.449 1.000 1 A 62.450 1 ATOM 3533 H H . MET 217 217 ? A 20.483 7.165 -0.333 1.000 1 A 62.450 1 ATOM 3534 H HA . MET 217 217 ? A 19.055 7.960 -2.655 1.000 1 A 62.450 1 ATOM 3535 H HB2 . MET 217 217 ? A 19.271 10.293 -1.497 1.000 1 A 62.450 1 ATOM 3536 H HB3 . MET 217 217 ? A 19.994 9.390 -0.155 1.000 1 A 62.450 1 ATOM 3537 H HG2 . MET 217 217 ? A 17.257 9.027 -1.411 1.000 1 A 62.450 1 ATOM 3538 H HG3 . MET 217 217 ? A 17.932 7.888 -0.240 1.000 1 A 62.450 1 ATOM 3539 H HE1 . MET 217 217 ? A 18.991 11.540 0.568 1.000 1 A 62.450 1 ATOM 3540 H HE2 . MET 217 217 ? A 17.476 12.259 1.154 1.000 1 A 62.450 1 ATOM 3541 H HE3 . MET 217 217 ? A 17.642 11.843 -0.567 1.000 1 A 62.450 1 ATOM 3542 N N . LYS 218 218 ? A 22.094 9.307 -2.494 1.000 1 A 65.280 1 ATOM 3543 C CA . LYS 218 218 ? A 23.115 9.946 -3.337 1.000 1 A 65.280 1 ATOM 3544 C C . LYS 218 218 ? A 23.434 9.107 -4.576 1.000 1 A 65.280 1 ATOM 3545 O O . LYS 218 218 ? A 23.482 9.648 -5.673 1.000 1 A 65.280 1 ATOM 3546 C CB . LYS 218 218 ? A 24.371 10.233 -2.502 1.000 1 A 65.280 1 ATOM 3547 C CG . LYS 218 218 ? A 25.367 11.101 -3.285 1.000 1 A 65.280 1 ATOM 3548 C CD . LYS 218 218 ? A 26.598 11.438 -2.438 1.000 1 A 65.280 1 ATOM 3549 C CE . LYS 218 218 ? A 27.543 12.320 -3.263 1.000 1 A 65.280 1 ATOM 3550 N NZ . LYS 218 218 ? A 28.757 12.708 -2.501 1.000 1 A 65.280 1 ATOM 3551 H H . LYS 218 218 ? A 22.299 9.133 -1.520 1.000 1 A 65.280 1 ATOM 3552 H HA . LYS 218 218 ? A 22.713 10.891 -3.704 1.000 1 A 65.280 1 ATOM 3553 H HB2 . LYS 218 218 ? A 24.846 9.295 -2.217 1.000 1 A 65.280 1 ATOM 3554 H HB3 . LYS 218 218 ? A 24.079 10.765 -1.597 1.000 1 A 65.280 1 ATOM 3555 H HG2 . LYS 218 218 ? A 25.693 10.569 -4.179 1.000 1 A 65.280 1 ATOM 3556 H HG3 . LYS 218 218 ? A 24.875 12.025 -3.586 1.000 1 A 65.280 1 ATOM 3557 H HD2 . LYS 218 218 ? A 26.282 11.973 -1.542 1.000 1 A 65.280 1 ATOM 3558 H HD3 . LYS 218 218 ? A 27.103 10.515 -2.152 1.000 1 A 65.280 1 ATOM 3559 H HE2 . LYS 218 218 ? A 27.822 11.779 -4.167 1.000 1 A 65.280 1 ATOM 3560 H HE3 . LYS 218 218 ? A 26.998 13.211 -3.576 1.000 1 A 65.280 1 ATOM 3561 H HZ1 . LYS 218 218 ? A 29.348 13.292 -3.075 1.000 1 A 65.280 1 ATOM 3562 H HZ2 . LYS 218 218 ? A 28.502 13.240 -1.680 1.000 1 A 65.280 1 ATOM 3563 H HZ3 . LYS 218 218 ? A 29.284 11.893 -2.222 1.000 1 A 65.280 1 ATOM 3564 N N . ASN 219 219 ? A 23.595 7.792 -4.427 1.000 1 A 65.180 1 ATOM 3565 C CA . ASN 219 219 ? A 23.841 6.885 -5.551 1.000 1 A 65.180 1 ATOM 3566 C C . ASN 219 219 ? A 22.655 6.829 -6.518 1.000 1 A 65.180 1 ATOM 3567 O O . ASN 219 219 ? A 22.853 6.863 -7.733 1.000 1 A 65.180 1 ATOM 3568 C CB . ASN 219 219 ? A 24.155 5.483 -5.007 1.000 1 A 65.180 1 ATOM 3569 C CG . ASN 219 219 ? A 25.536 5.377 -4.393 1.000 1 A 65.180 1 ATOM 3570 O OD1 . ASN 219 219 ? A 26.411 6.202 -4.592 1.000 1 A 65.180 1 ATOM 3571 N ND2 . ASN 219 219 ? A 25.790 4.322 -3.655 1.000 1 A 65.180 1 ATOM 3572 H H . ASN 219 219 ? A 23.557 7.411 -3.493 1.000 1 A 65.180 1 ATOM 3573 H HA . ASN 219 219 ? A 24.696 7.247 -6.122 1.000 1 A 65.180 1 ATOM 3574 H HB2 . ASN 219 219 ? A 23.407 5.201 -4.265 1.000 1 A 65.180 1 ATOM 3575 H HB3 . ASN 219 219 ? A 24.109 4.764 -5.824 1.000 1 A 65.180 1 ATOM 3576 H HD21 . ASN 219 219 ? A 26.720 4.264 -3.265 1.000 1 A 65.180 1 ATOM 3577 H HD22 . ASN 219 219 ? A 25.068 3.642 -3.465 1.000 1 A 65.180 1 ATOM 3578 N N . PHE 220 220 ? A 21.433 6.767 -5.986 1.000 1 A 64.720 1 ATOM 3579 C CA . PHE 220 220 ? A 20.218 6.835 -6.787 1.000 1 A 64.720 1 ATOM 3580 C C . PHE 220 220 ? A 20.147 8.146 -7.580 1.000 1 A 64.720 1 ATOM 3581 O O . PHE 220 220 ? A 19.945 8.119 -8.790 1.000 1 A 64.720 1 ATOM 3582 C CB . PHE 220 220 ? A 18.997 6.657 -5.875 1.000 1 A 64.720 1 ATOM 3583 C CG . PHE 220 220 ? A 17.697 6.913 -6.604 1.000 1 A 64.720 1 ATOM 3584 C CD1 . PHE 220 220 ? A 16.912 8.036 -6.283 1.000 1 A 64.720 1 ATOM 3585 C CD2 . PHE 220 220 ? A 17.331 6.083 -7.679 1.000 1 A 64.720 1 ATOM 3586 C CE1 . PHE 220 220 ? A 15.786 8.348 -7.060 1.000 1 A 64.720 1 ATOM 3587 C CE2 . PHE 220 220 ? A 16.209 6.398 -8.459 1.000 1 A 64.720 1 ATOM 3588 C CZ . PHE 220 220 ? A 15.463 7.550 -8.171 1.000 1 A 64.720 1 ATOM 3589 H H . PHE 220 220 ? A 21.336 6.707 -4.983 1.000 1 A 64.720 1 ATOM 3590 H HA . PHE 220 220 ? A 20.229 6.024 -7.515 1.000 1 A 64.720 1 ATOM 3591 H HB2 . PHE 220 220 ? A 18.999 5.642 -5.477 1.000 1 A 64.720 1 ATOM 3592 H HB3 . PHE 220 220 ? A 19.068 7.342 -5.030 1.000 1 A 64.720 1 ATOM 3593 H HD1 . PHE 220 220 ? A 17.198 8.686 -5.469 1.000 1 A 64.720 1 ATOM 3594 H HD2 . PHE 220 220 ? A 17.937 5.228 -7.938 1.000 1 A 64.720 1 ATOM 3595 H HE1 . PHE 220 220 ? A 15.209 9.235 -6.845 1.000 1 A 64.720 1 ATOM 3596 H HE2 . PHE 220 220 ? A 15.956 5.786 -9.313 1.000 1 A 64.720 1 ATOM 3597 H HZ . PHE 220 220 ? A 14.665 7.854 -8.833 1.000 1 A 64.720 1 ATOM 3598 N N . LEU 221 221 ? A 20.392 9.282 -6.927 1.000 1 A 66.070 1 ATOM 3599 C CA . LEU 221 221 ? A 20.314 10.595 -7.557 1.000 1 A 66.070 1 ATOM 3600 C C . LEU 221 221 ? A 21.485 10.864 -8.528 1.000 1 A 66.070 1 ATOM 3601 O O . LEU 221 221 ? A 21.290 11.502 -9.554 1.000 1 A 66.070 1 ATOM 3602 C CB . LEU 221 221 ? A 20.213 11.678 -6.478 1.000 1 A 66.070 1 ATOM 3603 C CG . LEU 221 221 ? A 19.046 11.594 -5.468 1.000 1 A 66.070 1 ATOM 3604 C CD1 . LEU 221 221 ? A 19.274 12.513 -4.264 1.000 1 A 66.070 1 ATOM 3605 C CD2 . LEU 221 221 ? A 17.691 11.920 -6.085 1.000 1 A 66.070 1 ATOM 3606 H H . LEU 221 221 ? A 20.566 9.236 -5.933 1.000 1 A 66.070 1 ATOM 3607 H HA . LEU 221 221 ? A 19.402 10.634 -8.154 1.000 1 A 66.070 1 ATOM 3608 H HB2 . LEU 221 221 ? A 21.158 11.702 -5.936 1.000 1 A 66.070 1 ATOM 3609 H HB3 . LEU 221 221 ? A 20.085 12.606 -7.035 1.000 1 A 66.070 1 ATOM 3610 H HG . LEU 221 221 ? A 18.951 10.576 -5.091 1.000 1 A 66.070 1 ATOM 3611 H HD11 . LEU 221 221 ? A 19.134 13.555 -4.553 1.000 1 A 66.070 1 ATOM 3612 H HD12 . LEU 221 221 ? A 18.543 12.273 -3.492 1.000 1 A 66.070 1 ATOM 3613 H HD13 . LEU 221 221 ? A 20.275 12.361 -3.858 1.000 1 A 66.070 1 ATOM 3614 H HD21 . LEU 221 221 ? A 17.436 11.149 -6.812 1.000 1 A 66.070 1 ATOM 3615 H HD22 . LEU 221 221 ? A 17.698 12.893 -6.576 1.000 1 A 66.070 1 ATOM 3616 H HD23 . LEU 221 221 ? A 16.923 11.926 -5.311 1.000 1 A 66.070 1 ATOM 3617 N N . ASN 222 222 ? A 22.682 10.315 -8.300 1.000 1 A 67.530 1 ATOM 3618 C CA . ASN 222 222 ? A 23.778 10.386 -9.278 1.000 1 A 67.530 1 ATOM 3619 C C . ASN 222 222 ? A 23.411 9.684 -10.599 1.000 1 A 67.530 1 ATOM 3620 O O . ASN 222 222 ? A 23.752 10.176 -11.675 1.000 1 A 67.530 1 ATOM 3621 C CB . ASN 222 222 ? A 25.048 9.755 -8.681 1.000 1 A 67.530 1 ATOM 3622 C CG . ASN 222 222 ? A 25.777 10.627 -7.676 1.000 1 A 67.530 1 ATOM 3623 O OD1 . ASN 222 222 ? A 25.492 11.783 -7.437 1.000 1 A 67.530 1 ATOM 3624 N ND2 . ASN 222 222 ? A 26.806 10.095 -7.059 1.000 1 A 67.530 1 ATOM 3625 H H . ASN 222 222 ? A 22.852 9.882 -7.404 1.000 1 A 67.530 1 ATOM 3626 H HA . ASN 222 222 ? A 23.977 11.431 -9.517 1.000 1 A 67.530 1 ATOM 3627 H HB2 . ASN 222 222 ? A 24.800 8.802 -8.215 1.000 1 A 67.530 1 ATOM 3628 H HB3 . ASN 222 222 ? A 25.749 9.562 -9.494 1.000 1 A 67.530 1 ATOM 3629 H HD21 . ASN 222 222 ? A 27.086 9.147 -7.266 1.000 1 A 67.530 1 ATOM 3630 H HD22 . ASN 222 222 ? A 27.354 10.741 -6.509 1.000 1 A 67.530 1 ATOM 3631 N N . ARG 223 223 ? A 22.677 8.561 -10.536 1.000 1 A 63.850 1 ATOM 3632 C CA . ARG 223 223 ? A 22.180 7.862 -11.737 1.000 1 A 63.850 1 ATOM 3633 C C . ARG 223 223 ? A 21.145 8.681 -12.515 1.000 1 A 63.850 1 ATOM 3634 O O . ARG 223 223 ? A 21.060 8.549 -13.737 1.000 1 A 63.850 1 ATOM 3635 C CB . ARG 223 223 ? A 21.593 6.493 -11.371 1.000 1 A 63.850 1 ATOM 3636 C CG . ARG 223 223 ? A 22.665 5.462 -11.005 1.000 1 A 63.850 1 ATOM 3637 C CD . ARG 223 223 ? A 21.984 4.117 -10.727 1.000 1 A 63.850 1 ATOM 3638 N NE . ARG 223 223 ? A 22.963 3.047 -10.460 1.000 1 A 63.850 1 ATOM 3639 C CZ . ARG 223 223 ? A 22.699 1.754 -10.394 1.000 1 A 63.850 1 ATOM 3640 N NH1 . ARG 223 223 ? A 21.500 1.283 -10.608 1.000 1 A 63.850 1 ATOM 3641 N NH2 . ARG 223 223 ? A 23.641 0.902 -10.103 1.000 1 A 63.850 1 ATOM 3642 H H . ARG 223 223 ? A 22.409 8.219 -9.624 1.000 1 A 63.850 1 ATOM 3643 H HA . ARG 223 223 ? A 23.009 7.720 -12.430 1.000 1 A 63.850 1 ATOM 3644 H HB2 . ARG 223 223 ? A 20.885 6.598 -10.549 1.000 1 A 63.850 1 ATOM 3645 H HB3 . ARG 223 223 ? A 21.046 6.116 -12.235 1.000 1 A 63.850 1 ATOM 3646 H HG2 . ARG 223 223 ? A 23.358 5.352 -11.839 1.000 1 A 63.850 1 ATOM 3647 H HG3 . ARG 223 223 ? A 23.214 5.788 -10.121 1.000 1 A 63.850 1 ATOM 3648 H HD2 . ARG 223 223 ? A 21.323 4.232 -9.867 1.000 1 A 63.850 1 ATOM 3649 H HD3 . ARG 223 223 ? A 21.383 3.853 -11.598 1.000 1 A 63.850 1 ATOM 3650 H HE . ARG 223 223 ? A 23.917 3.341 -10.306 1.000 1 A 63.850 1 ATOM 3651 H HH11 . ARG 223 223 ? A 20.769 1.928 -10.871 1.000 1 A 63.850 1 ATOM 3652 H HH12 . ARG 223 223 ? A 21.291 0.304 -10.476 1.000 1 A 63.850 1 ATOM 3653 H HH21 . ARG 223 223 ? A 23.423 -0.080 -10.012 1.000 1 A 63.850 1 ATOM 3654 H HH22 . ARG 223 223 ? A 24.584 1.225 -9.944 1.000 1 A 63.850 1 ATOM 3655 N N . ILE 224 224 ? A 20.392 9.543 -11.827 1.000 1 A 63.420 1 ATOM 3656 C CA . ILE 224 224 ? A 19.473 10.498 -12.465 1.000 1 A 63.420 1 ATOM 3657 C C . ILE 224 224 ? A 20.253 11.461 -13.365 1.000 1 A 63.420 1 ATOM 3658 O O . ILE 224 224 ? A 19.851 11.688 -14.501 1.000 1 A 63.420 1 ATOM 3659 C CB . ILE 224 224 ? A 18.629 11.260 -11.414 1.000 1 A 63.420 1 ATOM 3660 C CG1 . ILE 224 224 ? A 17.727 10.268 -10.653 1.000 1 A 63.420 1 ATOM 3661 C CG2 . ILE 224 224 ? A 17.909 12.465 -12.046 1.000 1 A 63.420 1 ATOM 3662 C CD1 . ILE 224 224 ? A 16.835 10.921 -9.595 1.000 1 A 63.420 1 ATOM 3663 H H . ILE 224 224 ? A 20.509 9.587 -10.825 1.000 1 A 63.420 1 ATOM 3664 H HA . ILE 224 224 ? A 18.790 9.950 -13.114 1.000 1 A 63.420 1 ATOM 3665 H HB . ILE 224 224 ? A 19.290 11.706 -10.671 1.000 1 A 63.420 1 ATOM 3666 H HG12 . ILE 224 224 ? A 17.114 9.711 -11.362 1.000 1 A 63.420 1 ATOM 3667 H HG13 . ILE 224 224 ? A 18.359 9.544 -10.139 1.000 1 A 63.420 1 ATOM 3668 H HG21 . ILE 224 224 ? A 18.602 13.304 -12.105 1.000 1 A 63.420 1 ATOM 3669 H HG22 . ILE 224 224 ? A 17.600 12.235 -13.066 1.000 1 A 63.420 1 ATOM 3670 H HG23 . ILE 224 224 ? A 17.051 12.792 -11.458 1.000 1 A 63.420 1 ATOM 3671 H HD11 . ILE 224 224 ? A 15.994 11.427 -10.069 1.000 1 A 63.420 1 ATOM 3672 H HD12 . ILE 224 224 ? A 17.412 11.646 -9.022 1.000 1 A 63.420 1 ATOM 3673 H HD13 . ILE 224 224 ? A 16.441 10.154 -8.928 1.000 1 A 63.420 1 ATOM 3674 N N . GLN 225 225 ? A 21.392 11.990 -12.905 1.000 1 A 63.570 1 ATOM 3675 C CA . GLN 225 225 ? A 22.192 12.909 -13.722 1.000 1 A 63.570 1 ATOM 3676 C C . GLN 225 225 ? A 22.840 12.220 -14.922 1.000 1 A 63.570 1 ATOM 3677 O O . GLN 225 225 ? A 22.758 12.743 -16.028 1.000 1 A 63.570 1 ATOM 3678 C CB . GLN 225 225 ? A 23.276 13.595 -12.886 1.000 1 A 63.570 1 ATOM 3679 C CG . GLN 225 225 ? A 22.709 14.662 -11.947 1.000 1 A 63.570 1 ATOM 3680 C CD . GLN 225 225 ? A 23.825 15.567 -11.442 1.000 1 A 63.570 1 ATOM 3681 O OE1 . GLN 225 225 ? A 24.777 15.148 -10.803 1.000 1 A 63.570 1 ATOM 3682 N NE2 . GLN 225 225 ? A 23.766 16.855 -11.703 1.000 1 A 63.570 1 ATOM 3683 H H . GLN 225 225 ? A 21.700 11.762 -11.971 1.000 1 A 63.570 1 ATOM 3684 H HA . GLN 225 225 ? A 21.535 13.678 -14.129 1.000 1 A 63.570 1 ATOM 3685 H HB2 . GLN 225 225 ? A 23.967 14.087 -13.571 1.000 1 A 63.570 1 ATOM 3686 H HB3 . GLN 225 225 ? A 23.837 12.857 -12.312 1.000 1 A 63.570 1 ATOM 3687 H HG2 . GLN 225 225 ? A 22.217 14.188 -11.098 1.000 1 A 63.570 1 ATOM 3688 H HG3 . GLN 225 225 ? A 21.973 15.264 -12.481 1.000 1 A 63.570 1 ATOM 3689 H HE21 . GLN 225 225 ? A 24.584 17.392 -11.456 1.000 1 A 63.570 1 ATOM 3690 H HE22 . GLN 225 225 ? A 23.024 17.215 -12.286 1.000 1 A 63.570 1 ATOM 3691 N N . SER 226 226 ? A 23.444 11.043 -14.731 1.000 1 A 63.260 1 ATOM 3692 C CA . SER 226 226 ? A 24.160 10.344 -15.809 1.000 1 A 63.260 1 ATOM 3693 C C . SER 226 226 ? A 23.265 9.875 -16.958 1.000 1 A 63.260 1 ATOM 3694 O O . SER 226 226 ? A 23.781 9.468 -17.988 1.000 1 A 63.260 1 ATOM 3695 C CB . SER 226 226 ? A 24.926 9.141 -15.248 1.000 1 A 63.260 1 ATOM 3696 O OG . SER 226 226 ? A 24.047 8.197 -14.658 1.000 1 A 63.260 1 ATOM 3697 H H . SER 226 226 ? A 23.475 10.650 -13.801 1.000 1 A 63.260 1 ATOM 3698 H HA . SER 226 226 ? A 24.885 11.033 -16.243 1.000 1 A 63.260 1 ATOM 3699 H HB2 . SER 226 226 ? A 25.634 9.489 -14.496 1.000 1 A 63.260 1 ATOM 3700 H HB3 . SER 226 226 ? A 25.484 8.662 -16.052 1.000 1 A 63.260 1 ATOM 3701 H HG . SER 226 226 ? A 23.402 7.939 -15.320 1.000 1 A 63.260 1 ATOM 3702 N N . SER 227 227 ? A 21.945 9.868 -16.767 1.000 1 A 56.500 1 ATOM 3703 C CA . SER 227 227 ? A 20.965 9.479 -17.788 1.000 1 A 56.500 1 ATOM 3704 C C . SER 227 227 ? A 20.239 10.667 -18.428 1.000 1 A 56.500 1 ATOM 3705 O O . SER 227 227 ? A 19.502 10.470 -19.389 1.000 1 A 56.500 1 ATOM 3706 C CB . SER 227 227 ? A 19.966 8.483 -17.193 1.000 1 A 56.500 1 ATOM 3707 O OG . SER 227 227 ? A 19.387 8.976 -15.998 1.000 1 A 56.500 1 ATOM 3708 H H . SER 227 227 ? A 21.587 10.237 -15.897 1.000 1 A 56.500 1 ATOM 3709 H HA . SER 227 227 ? A 21.476 8.974 -18.607 1.000 1 A 56.500 1 ATOM 3710 H HB2 . SER 227 227 ? A 19.180 8.282 -17.921 1.000 1 A 56.500 1 ATOM 3711 H HB3 . SER 227 227 ? A 20.481 7.547 -16.977 1.000 1 A 56.500 1 ATOM 3712 H HG . SER 227 227 ? A 20.020 8.878 -15.283 1.000 1 A 56.500 1 ATOM 3713 N N . CYS 228 228 ? A 20.431 11.886 -17.908 1.000 1 A 52.560 1 ATOM 3714 C CA . CYS 228 228 ? A 19.889 13.117 -18.491 1.000 1 A 52.560 1 ATOM 3715 C C . CYS 228 228 ? A 20.854 13.807 -19.480 1.000 1 A 52.560 1 ATOM 3716 O O . CYS 228 228 ? A 20.458 14.811 -20.072 1.000 1 A 52.560 1 ATOM 3717 C CB . CYS 228 228 ? A 19.496 14.091 -17.365 1.000 1 A 52.560 1 ATOM 3718 S SG . CYS 228 228 ? A 18.072 13.515 -16.389 1.000 1 A 52.560 1 ATOM 3719 H H . CYS 228 228 ? A 21.080 11.984 -17.140 1.000 1 A 52.560 1 ATOM 3720 H HA . CYS 228 228 ? A 18.993 12.879 -19.065 1.000 1 A 52.560 1 ATOM 3721 H HB2 . CYS 228 228 ? A 20.355 14.254 -16.715 1.000 1 A 52.560 1 ATOM 3722 H HB3 . CYS 228 228 ? A 19.229 15.044 -17.821 1.000 1 A 52.560 1 ATOM 3723 H HG . CYS 228 228 ? A 18.755 12.641 -15.643 1.000 1 A 52.560 1 ATOM 3724 N N . VAL 229 229 ? A 22.096 13.320 -19.621 1.000 1 A 47.560 1 ATOM 3725 C CA . VAL 229 229 ? A 23.120 13.803 -20.575 1.000 1 A 47.560 1 ATOM 3726 C C . VAL 229 229 ? A 23.191 12.845 -21.753 1.000 1 A 47.560 1 ATOM 3727 O O . VAL 229 229 ? A 23.238 13.342 -22.898 1.000 1 A 47.560 1 ATOM 3728 C CB . VAL 229 229 ? A 24.506 13.926 -19.915 1.000 1 A 47.560 1 ATOM 3729 C CG1 . VAL 229 229 ? A 25.531 14.539 -20.880 1.000 1 A 47.560 1 ATOM 3730 C CG2 . VAL 229 229 ? A 24.460 14.817 -18.667 1.000 1 A 47.560 1 ATOM 3731 O OXT . VAL 229 229 ? A 23.210 11.632 -21.455 1.000 1 A 47.560 1 ATOM 3732 H H . VAL 229 229 ? A 22.289 12.415 -19.216 1.000 1 A 47.560 1 ATOM 3733 H HA . VAL 229 229 ? A 22.826 14.768 -20.989 1.000 1 A 47.560 1 ATOM 3734 H HB . VAL 229 229 ? A 24.850 12.935 -19.621 1.000 1 A 47.560 1 ATOM 3735 H HG11 . VAL 229 229 ? A 26.498 14.643 -20.387 1.000 1 A 47.560 1 ATOM 3736 H HG12 . VAL 229 229 ? A 25.183 15.513 -21.223 1.000 1 A 47.560 1 ATOM 3737 H HG13 . VAL 229 229 ? A 25.655 13.889 -21.746 1.000 1 A 47.560 1 ATOM 3738 H HG21 . VAL 229 229 ? A 24.068 15.798 -18.934 1.000 1 A 47.560 1 ATOM 3739 H HG22 . VAL 229 229 ? A 23.816 14.365 -17.913 1.000 1 A 47.560 1 ATOM 3740 H HG23 . VAL 229 229 ? A 25.462 14.923 -18.249 1.000 1 A 47.560 1 loop_ _atom_type.symbol C H N O S 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 . . 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 83.425 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 37.620 2 1 A 2 GLU 2 44.860 3 1 A 3 HIS 2 51.480 4 1 A 4 MET 2 45.470 5 1 A 5 PHE 2 53.540 6 1 A 6 PRO 2 67.850 7 1 A 7 GLU 2 73.000 8 1 A 8 ARG 2 75.110 9 1 A 9 GLU 2 81.370 10 1 A 10 ILE 2 81.830 11 1 A 11 GLU 2 80.610 12 1 A 12 ASN 2 85.780 13 1 A 13 LEU 2 87.720 14 1 A 14 PHE 2 88.490 15 1 A 15 VAL 2 88.860 16 1 A 16 LYS 2 91.630 17 1 A 17 TRP 2 91.860 18 1 A 18 ILE 2 93.680 19 1 A 19 LYS 2 93.990 20 1 A 20 LYS 2 94.500 21 1 A 21 HIS 2 93.820 22 1 A 22 ILE 2 95.900 23 1 A 23 ARG 2 95.820 24 1 A 24 ASN 2 95.470 25 1 A 25 GLY 2 95.160 26 1 A 26 ASN 2 95.210 27 1 A 27 LEU 2 95.930 28 1 A 28 THR 2 95.620 29 1 A 29 LEU 2 93.320 30 1 A 30 PHE 2 95.200 31 1 A 31 GLU 2 95.120 32 1 A 32 GLU 2 94.250 33 1 A 33 PHE 2 91.940 34 1 A 34 PHE 2 93.710 35 1 A 35 LYS 2 93.380 36 1 A 36 THR 2 93.710 37 1 A 37 ASP 2 92.940 38 1 A 38 PRO 2 92.870 39 1 A 39 TRP 2 92.940 40 1 A 40 ILE 2 93.020 41 1 A 41 VAL 2 94.460 42 1 A 42 ASN 2 94.860 43 1 A 43 ARG 2 93.550 44 1 A 44 CYS 2 92.540 45 1 A 45 ASP 2 91.460 46 1 A 46 LYS 2 90.460 47 1 A 47 ASN 2 91.620 48 1 A 48 GLY 2 92.620 49 1 A 49 SER 2 94.610 50 1 A 50 SER 2 94.690 51 1 A 51 VAL 2 95.560 52 1 A 52 PHE 2 96.520 53 1 A 53 MET 2 96.280 54 1 A 54 TRP 2 96.370 55 1 A 55 ILE 2 96.900 56 1 A 56 CYS 2 96.420 57 1 A 57 ILE 2 95.420 58 1 A 58 TYR 2 95.980 59 1 A 59 GLY 2 95.350 60 1 A 60 ARG 2 95.520 61 1 A 61 ILE 2 95.920 62 1 A 62 ASP 2 96.180 63 1 A 63 PHE 2 97.060 64 1 A 64 LEU 2 96.500 65 1 A 65 LYS 2 95.980 66 1 A 66 PHE 2 96.310 67 1 A 67 LEU 2 95.750 68 1 A 68 PHE 2 94.420 69 1 A 69 GLU 2 93.950 70 1 A 70 GLN 2 93.260 71 1 A 71 GLU 2 89.930 72 1 A 72 SER 2 88.030 73 1 A 73 TYR 2 85.360 74 1 A 74 PRO 2 85.050 75 1 A 75 GLY 2 85.620 76 1 A 76 GLU 2 87.510 77 1 A 77 ILE 2 90.570 78 1 A 78 ILE 2 93.310 79 1 A 79 ASN 2 90.940 80 1 A 80 PRO 2 89.680 81 1 A 81 HIS 2 91.170 82 1 A 82 ARG 2 93.530 83 1 A 83 ARG 2 95.730 84 1 A 84 ASP 2 96.290 85 1 A 85 LYS 2 96.130 86 1 A 86 ASP 2 96.200 87 1 A 87 GLY 2 96.340 88 1 A 88 ASN 2 97.240 89 1 A 89 SER 2 95.820 90 1 A 90 ALA 2 96.020 91 1 A 91 LEU 2 96.630 92 1 A 92 HIS 2 97.590 93 1 A 93 TYR 2 97.060 94 1 A 94 LEU 2 97.160 95 1 A 95 ALA 2 96.840 96 1 A 96 GLU 2 96.070 97 1 A 97 LYS 2 94.870 98 1 A 98 LYS 2 91.670 99 1 A 99 ASN 2 92.030 100 1 A 100 HIS 2 92.380 101 1 A 101 LEU 2 94.380 102 1 A 102 ILE 2 95.770 103 1 A 103 LEU 2 96.140 104 1 A 104 GLU 2 93.810 105 1 A 105 GLY 2 93.880 106 1 A 106 VAL 2 95.040 107 1 A 107 LEU 2 93.460 108 1 A 108 GLY 2 90.660 109 1 A 109 TYR 2 91.660 110 1 A 110 PHE 2 89.730 111 1 A 111 GLY 2 82.360 112 1 A 112 LYS 2 74.150 113 1 A 113 ASN 2 72.220 114 1 A 114 GLY 2 70.440 115 1 A 115 THR 2 73.990 116 1 A 116 ARG 2 78.860 117 1 A 117 ILE 2 82.510 118 1 A 118 CYS 2 85.120 119 1 A 119 LEU 2 89.570 120 1 A 120 PRO 2 95.140 121 1 A 121 ASN 2 96.550 122 1 A 122 PHE 2 96.680 123 1 A 123 ASN 2 95.500 124 1 A 124 GLY 2 96.070 125 1 A 125 MET 2 96.780 126 1 A 126 THR 2 96.020 127 1 A 127 PRO 2 96.680 128 1 A 128 VAL 2 94.520 129 1 A 129 MET 2 95.310 130 1 A 130 LYS 2 96.850 131 1 A 131 ALA 2 95.470 132 1 A 132 ALA 2 92.630 133 1 A 133 ILE 2 94.230 134 1 A 134 ARG 2 95.270 135 1 A 135 GLY 2 92.440 136 1 A 136 ARG 2 93.640 137 1 A 137 SER 2 88.680 138 1 A 138 LEU 2 90.110 139 1 A 139 ASN 2 93.600 140 1 A 140 MET 2 90.400 141 1 A 141 LEU 2 86.510 142 1 A 142 SER 2 88.210 143 1 A 143 LEU 2 91.510 144 1 A 144 ILE 2 86.090 145 1 A 145 LYS 2 81.680 146 1 A 146 PHE 2 84.730 147 1 A 147 GLY 2 82.300 148 1 A 148 ALA 2 87.610 149 1 A 149 ASP 2 85.500 150 1 A 150 PRO 2 84.480 151 1 A 151 THR 2 85.770 152 1 A 152 GLN 2 88.940 153 1 A 153 LYS 2 92.200 154 1 A 154 ASP 2 95.380 155 1 A 155 TYR 2 96.900 156 1 A 156 HIS 2 91.470 157 1 A 157 ARG 2 92.030 158 1 A 158 GLY 2 94.190 159 1 A 159 PHE 2 92.300 160 1 A 160 THR 2 89.820 161 1 A 161 ALA 2 88.760 162 1 A 162 TRP 2 84.290 163 1 A 163 ASP 2 86.600 164 1 A 164 TRP 2 91.500 165 1 A 165 ALA 2 87.310 166 1 A 166 VAL 2 84.760 167 1 A 167 PHE 2 87.150 168 1 A 168 THR 2 88.830 169 1 A 169 GLY 2 82.290 170 1 A 170 ASN 2 82.170 171 1 A 171 MET 2 71.980 172 1 A 172 GLU 2 77.310 173 1 A 173 LEU 2 78.440 174 1 A 174 VAL 2 72.430 175 1 A 175 LYS 2 74.540 176 1 A 176 SER 2 74.160 177 1 A 177 LEU 2 72.180 178 1 A 178 ASN 2 67.160 179 1 A 179 HIS 2 69.290 180 1 A 180 ASP 2 65.590 181 1 A 181 TYR 2 62.790 182 1 A 182 GLN 2 63.930 183 1 A 183 ASN 2 65.450 184 1 A 184 LEU 2 63.060 185 1 A 185 SER 2 63.980 186 1 A 186 THR 2 66.210 187 1 A 187 CYS 2 64.650 188 1 A 188 ILE 2 66.990 189 1 A 189 SER 2 68.070 190 1 A 190 LEU 2 70.050 191 1 A 191 PHE 2 68.840 192 1 A 192 THR 2 67.570 193 1 A 193 SER 2 70.940 194 1 A 194 TRP 2 73.910 195 1 A 195 MET 2 67.590 196 1 A 196 PHE 2 69.540 197 1 A 197 SER 2 75.190 198 1 A 198 THR 2 69.510 199 1 A 199 GLY 2 63.240 200 1 A 200 GLY 2 60.610 201 1 A 201 LEU 2 54.050 202 1 A 202 ARG 2 56.880 203 1 A 203 LYS 2 56.820 204 1 A 204 SER 2 53.130 205 1 A 205 PRO 2 57.780 206 1 A 206 LYS 2 59.520 207 1 A 207 LEU 2 59.600 208 1 A 208 LEU 2 55.490 209 1 A 209 LEU 2 55.160 210 1 A 210 LEU 2 59.070 211 1 A 211 ALA 2 59.710 212 1 A 212 VAL 2 60.790 213 1 A 213 ASN 2 60.700 214 1 A 214 ILE 2 62.900 215 1 A 215 MET 2 63.820 216 1 A 216 SER 2 60.210 217 1 A 217 MET 2 62.450 218 1 A 218 LYS 2 65.280 219 1 A 219 ASN 2 65.180 220 1 A 220 PHE 2 64.720 221 1 A 221 LEU 2 66.070 222 1 A 222 ASN 2 67.530 223 1 A 223 ARG 2 63.850 224 1 A 224 ILE 2 63.420 225 1 A 225 GLN 2 63.570 226 1 A 226 SER 2 63.260 227 1 A 227 SER 2 56.500 228 1 A 228 CYS 2 52.560 229 1 A 229 VAL 2 47.560 _database_2.database_id ModelArchive _database_2.database_code ma-asfv-asfvg-008 _database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-008 _pdbx_database_status.entry_id ma-asfv-asfvg-008 _pdbx_database_status.date_coordinates 2022-07-29:17:48 _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 7 Dr. Manuel Borca . manuel.borca@usda.gov ;Plum Island Animal Disease Center, Agricultural Research Service 11944 Greenport New York United States ; . . 8 Dr. Douglas Gladue . douglas.gladue@usda.gov ;Plum Island Animal Disease Center, Agricultural Research Service 11944 Greenport New York United States ; . . loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2022-09-30 2 'Structure model' 1 1 2023-06-29 3 'Structure model' 1 2 2023-07-19 4 'Structure model' 1 3 2023-07-20 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 'Reference database 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' 'Database references' 2 2 'Structure model' 'Source and taxonomy' 3 3 'Structure model' Other 4 3 'Structure model' 'Database references' 5 4 'Structure model' Other loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' ma_target_ref_db_details 2 3 'Structure model' ma_data 3 3 'Structure model' ma_data_group 4 3 'Structure model' ma_data_ref_db 5 4 'Structure model' exptl loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_ma_target_ref_db_details.db_accession' 2 2 'Structure model' '_ma_target_ref_db_details.db_code' 3 3 'Structure model' '_ma_data.id' 4 3 'Structure model' '_ma_data.name' 5 3 'Structure model' '_ma_data.content_type' 6 3 'Structure model' '_ma_data.content_type_other_details' 7 3 'Structure model' '_ma_data_group.ordinal_id' 8 3 'Structure model' '_ma_data_group.group_id' 9 3 'Structure model' '_ma_data_group.data_id' 10 3 'Structure model' '_ma_data_ref_db.data_id' 11 3 'Structure model' '_ma_data_ref_db.name' 12 3 'Structure model' '_ma_data_ref_db.location_url' 13 3 'Structure model' '_ma_data_ref_db.version' 14 3 'Structure model' '_ma_data_ref_db.release_date' 15 4 'Structure model' '_exptl.entry_id' 16 4 'Structure model' '_exptl.method'