# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms data_644b4ff2e79e3447 # _entry.id 644b4ff2e79e3447 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE N[C@@H](CC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE N[C@@H](CS)C(O)=O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE N[C@@H](CO)C(O)=O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@@H](O)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE N[C@@H](Cc1ccc(O)cc1)C(O)=O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume ? _citation.page_first ? _citation.page_last ? _citation.pdbx_database_id_DOI ? _citation.pdbx_database_id_PubMed ? _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # loop_ _entity.id _entity.pdbx_description _entity.type 1 . polymer 2 . polymer 3 . polymer # loop_ _entity_poly.entity_id _entity_poly.pdbx_strand_id _entity_poly.type 1 A polypeptide(L) 2 B polypeptide(L) 3 C polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n GLU 1 1 n VAL 2 1 n GLN 3 1 n LEU 4 1 n VAL 5 1 n GLU 6 1 n SER 7 1 n GLY 8 1 n GLY 9 1 n GLY 10 1 n LEU 11 1 n VAL 12 1 n GLN 13 1 n PRO 14 1 n GLY 15 1 n GLY 16 1 n SER 17 1 n LEU 18 1 n ARG 19 1 n LEU 20 1 n SER 21 1 n CYS 22 1 n ALA 23 1 n ALA 24 1 n SER 25 1 n GLY 26 1 n PHE 27 1 n THR 28 1 n PHE 29 1 n SER 30 1 n ASP 31 1 n PHE 32 1 n TYR 33 1 n MET 34 1 n GLU 35 1 n TRP 36 1 n VAL 37 1 n ARG 38 1 n GLN 39 1 n ALA 40 1 n PRO 41 1 n GLY 42 1 n LYS 43 1 n GLY 44 1 n LEU 45 1 n GLU 46 1 n TRP 47 1 n ILE 48 1 n ALA 49 1 n ALA 50 1 n SER 51 1 n ARG 52 1 n ASN 53 1 n LYS 54 1 n ALA 55 1 n ASN 56 1 n ASP 57 1 n TYR 58 1 n THR 59 1 n THR 60 1 n GLU 61 1 n TYR 62 1 n SER 63 1 n ALA 64 1 n SER 65 1 n VAL 66 1 n LYS 67 1 n GLY 68 1 n ARG 69 1 n PHE 70 1 n ILE 71 1 n VAL 72 1 n SER 73 1 n ARG 74 1 n ASP 75 1 n ASP 76 1 n SER 77 1 n LYS 78 1 n ASN 79 1 n SER 80 1 n LEU 81 1 n TYR 82 1 n LEU 83 1 n GLN 84 1 n MET 85 1 n ASN 86 1 n SER 87 1 n LEU 88 1 n LYS 89 1 n THR 90 1 n GLU 91 1 n ASP 92 1 n THR 93 1 n ALA 94 1 n VAL 95 1 n TYR 96 1 n TYR 97 1 n CYS 98 1 n ALA 99 1 n ARG 100 1 n SER 101 1 n TYR 102 1 n TYR 103 1 n ARG 104 1 n TYR 105 1 n ASP 106 1 n GLY 107 1 n MET 108 1 n ASP 109 1 n TYR 110 1 n TRP 111 1 n GLY 112 1 n GLN 113 1 n GLY 114 1 n THR 115 1 n THR 116 1 n VAL 117 1 n THR 118 1 n VAL 119 1 n SER 120 1 n SER 121 2 n GLU 1 2 n ILE 2 2 n VAL 3 2 n LEU 4 2 n THR 5 2 n GLN 6 2 n SER 7 2 n PRO 8 2 n ALA 9 2 n THR 10 2 n LEU 11 2 n SER 12 2 n LEU 13 2 n SER 14 2 n PRO 15 2 n GLY 16 2 n GLU 17 2 n ARG 18 2 n ALA 19 2 n THR 20 2 n LEU 21 2 n SER 22 2 n CYS 23 2 n SER 24 2 n ALA 25 2 n ILE 26 2 n SER 27 2 n SER 28 2 n VAL 29 2 n SER 30 2 n TYR 31 2 n MET 32 2 n TYR 33 2 n TRP 34 2 n TYR 35 2 n GLN 36 2 n GLN 37 2 n LYS 38 2 n PRO 39 2 n GLY 40 2 n GLN 41 2 n ALA 42 2 n PRO 43 2 n ARG 44 2 n LEU 45 2 n LEU 46 2 n ILE 47 2 n TYR 48 2 n ASP 49 2 n THR 50 2 n SER 51 2 n ASN 52 2 n LEU 53 2 n VAL 54 2 n SER 55 2 n GLY 56 2 n VAL 57 2 n PRO 58 2 n ALA 59 2 n ARG 60 2 n PHE 61 2 n SER 62 2 n GLY 63 2 n SER 64 2 n GLY 65 2 n SER 66 2 n GLY 67 2 n THR 68 2 n ASP 69 2 n TYR 70 2 n THR 71 2 n LEU 72 2 n THR 73 2 n ILE 74 2 n SER 75 2 n SER 76 2 n LEU 77 2 n GLU 78 2 n PRO 79 2 n GLU 80 2 n ASP 81 2 n PHE 82 2 n ALA 83 2 n VAL 84 2 n TYR 85 2 n TYR 86 2 n CYS 87 2 n GLN 88 2 n GLN 89 2 n TRP 90 2 n ASN 91 2 n THR 92 2 n TYR 93 2 n PRO 94 2 n TYR 95 2 n THR 96 2 n PHE 97 2 n GLY 98 2 n GLY 99 2 n GLY 100 2 n THR 101 2 n LYS 102 2 n VAL 103 2 n GLU 104 2 n ILE 105 2 n LYS 106 3 n ALA 1 3 n VAL 2 3 n ASN 3 3 n GLY 4 3 n THR 5 3 n SER 6 3 n GLN 7 3 n PHE 8 3 n THR 9 3 n CYS 10 3 n PHE 11 3 n TYR 12 3 n ASN 13 3 n SER 14 3 n ARG 15 3 n ALA 16 3 n ASN 17 3 n ILE 18 3 n SER 19 3 n CYS 20 3 n VAL 21 3 n TRP 22 3 n SER 23 3 n GLN 24 3 n ASP 25 3 n GLY 26 3 n ALA 27 3 n LEU 28 3 n GLN 29 3 n ASP 30 3 n THR 31 3 n SER 32 3 n CYS 33 3 n GLN 34 3 n VAL 35 3 n HIS 36 3 n ALA 37 3 n TRP 38 3 n PRO 39 3 n ASP 40 3 n ARG 41 3 n ARG 42 3 n ARG 43 3 n TRP 44 3 n ASN 45 3 n GLN 46 3 n THR 47 3 n CYS 48 3 n GLU 49 3 n LEU 50 3 n LEU 51 3 n PRO 52 3 n VAL 53 3 n SER 54 3 n GLN 55 3 n ALA 56 3 n SER 57 3 n TRP 58 3 n ALA 59 3 n CYS 60 3 n ASN 61 3 n LEU 62 3 n ILE 63 3 n LEU 64 3 n GLY 65 3 n ALA 66 3 n PRO 67 3 n ASP 68 3 n SER 69 3 n GLN 70 3 n LYS 71 3 n LEU 72 3 n THR 73 3 n THR 74 3 n VAL 75 3 n ASP 76 3 n ILE 77 3 n VAL 78 3 n THR 79 3 n LEU 80 3 n ARG 81 3 n VAL 82 3 n LEU 83 3 n CYS 84 3 n ARG 85 3 n GLU 86 3 n GLY 87 3 n VAL 88 3 n ARG 89 3 n TRP 90 3 n ARG 91 3 n VAL 92 3 n MET 93 3 n ALA 94 3 n ILE 95 3 n GLN 96 3 n ASP 97 3 n PHE 98 3 n LYS 99 3 n PRO 100 3 n PHE 101 3 n GLU 102 3 n ASN 103 3 n LEU 104 3 n ARG 105 3 n LEU 106 3 n MET 107 3 n ALA 108 3 n PRO 109 3 n ILE 110 3 n SER 111 3 n LEU 112 3 n GLN 113 3 n VAL 114 3 n VAL 115 3 n HIS 116 3 n VAL 117 3 n GLU 118 3 n THR 119 3 n HIS 120 3 n ARG 121 3 n CYS 122 3 n ASN 123 3 n ILE 124 3 n SER 125 3 n TRP 126 3 n GLU 127 3 n ILE 128 3 n SER 129 3 n GLN 130 3 n ALA 131 3 n SER 132 3 n HIS 133 3 n TYR 134 3 n PHE 135 3 n GLU 136 3 n ARG 137 3 n HIS 138 3 n LEU 139 3 n GLU 140 3 n PHE 141 3 n GLU 142 3 n ALA 143 3 n ARG 144 3 n THR 145 3 n LEU 146 3 n SER 147 3 n PRO 148 3 n GLY 149 3 n HIS 150 3 n THR 151 3 n TRP 152 3 n GLU 153 3 n GLU 154 3 n ALA 155 3 n PRO 156 3 n LEU 157 3 n LEU 158 3 n THR 159 3 n LEU 160 3 n LYS 161 3 n GLN 162 3 n LYS 163 3 n GLN 164 3 n GLU 165 3 n TRP 166 3 n ILE 167 3 n CYS 168 3 n LEU 169 3 n GLU 170 3 n THR 171 3 n LEU 172 3 n THR 173 3 n PRO 174 3 n ASP 175 3 n THR 176 3 n GLN 177 3 n TYR 178 3 n GLU 179 3 n PHE 180 3 n GLN 181 3 n VAL 182 3 n ARG 183 3 n VAL 184 3 n LYS 185 3 n PRO 186 3 n LEU 187 3 n GLN 188 3 n GLY 189 3 n GLU 190 3 n PHE 191 3 n THR 192 3 n THR 193 3 n TRP 194 3 n SER 195 3 n PRO 196 3 n TRP 197 3 n SER 198 3 n GLN 199 3 n PRO 200 3 n LEU 201 3 n ALA 202 3 n PHE 203 3 n ARG 204 3 n THR 205 3 n LYS 206 3 n PRO 207 3 n ALA 208 3 n ALA 209 3 n LEU 210 3 n GLY 211 3 n LYS 212 3 n ASP 213 3 n THR 214 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (fb0b9d13-0bdd-4522-ba5f-0ee1f426d085 @ 2025-01-17 11:50:10)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 85.35 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # loop_ _ma_target_entity.data_id _ma_target_entity.entity_id _ma_target_entity.origin 1 1 . 1 2 . 1 3 . # loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.details _ma_target_entity_instance.entity_id A . 1 B . 2 C . 3 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;NON-COMMERCIAL USE ONLY, BY USING THIS FILE YOU AGREE TO THE TERMS OF USE FOUND AT alphafoldserver.com/output-terms. ; 1 license ? ;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n GLU . 1 A 1 A 2 1 n VAL . 2 A 2 A 3 1 n GLN . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n GLU . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n GLN . 13 A 13 A 14 1 n PRO . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ARG . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n CYS . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n SER . 25 A 25 A 26 1 n GLY . 26 A 26 A 27 1 n PHE . 27 A 27 A 28 1 n THR . 28 A 28 A 29 1 n PHE . 29 A 29 A 30 1 n SER . 30 A 30 A 31 1 n ASP . 31 A 31 A 32 1 n PHE . 32 A 32 A 33 1 n TYR . 33 A 33 A 34 1 n MET . 34 A 34 A 35 1 n GLU . 35 A 35 A 36 1 n TRP . 36 A 36 A 37 1 n VAL . 37 A 37 A 38 1 n ARG . 38 A 38 A 39 1 n GLN . 39 A 39 A 40 1 n ALA . 40 A 40 A 41 1 n PRO . 41 A 41 A 42 1 n GLY . 42 A 42 A 43 1 n LYS . 43 A 43 A 44 1 n GLY . 44 A 44 A 45 1 n LEU . 45 A 45 A 46 1 n GLU . 46 A 46 A 47 1 n TRP . 47 A 47 A 48 1 n ILE . 48 A 48 A 49 1 n ALA . 49 A 49 A 50 1 n ALA . 50 A 50 A 51 1 n SER . 51 A 51 A 52 1 n ARG . 52 A 52 A 53 1 n ASN . 53 A 53 A 54 1 n LYS . 54 A 54 A 55 1 n ALA . 55 A 55 A 56 1 n ASN . 56 A 56 A 57 1 n ASP . 57 A 57 A 58 1 n TYR . 58 A 58 A 59 1 n THR . 59 A 59 A 60 1 n THR . 60 A 60 A 61 1 n GLU . 61 A 61 A 62 1 n TYR . 62 A 62 A 63 1 n SER . 63 A 63 A 64 1 n ALA . 64 A 64 A 65 1 n SER . 65 A 65 A 66 1 n VAL . 66 A 66 A 67 1 n LYS . 67 A 67 A 68 1 n GLY . 68 A 68 A 69 1 n ARG . 69 A 69 A 70 1 n PHE . 70 A 70 A 71 1 n ILE . 71 A 71 A 72 1 n VAL . 72 A 72 A 73 1 n SER . 73 A 73 A 74 1 n ARG . 74 A 74 A 75 1 n ASP . 75 A 75 A 76 1 n ASP . 76 A 76 A 77 1 n SER . 77 A 77 A 78 1 n LYS . 78 A 78 A 79 1 n ASN . 79 A 79 A 80 1 n SER . 80 A 80 A 81 1 n LEU . 81 A 81 A 82 1 n TYR . 82 A 82 A 83 1 n LEU . 83 A 83 A 84 1 n GLN . 84 A 84 A 85 1 n MET . 85 A 85 A 86 1 n ASN . 86 A 86 A 87 1 n SER . 87 A 87 A 88 1 n LEU . 88 A 88 A 89 1 n LYS . 89 A 89 A 90 1 n THR . 90 A 90 A 91 1 n GLU . 91 A 91 A 92 1 n ASP . 92 A 92 A 93 1 n THR . 93 A 93 A 94 1 n ALA . 94 A 94 A 95 1 n VAL . 95 A 95 A 96 1 n TYR . 96 A 96 A 97 1 n TYR . 97 A 97 A 98 1 n CYS . 98 A 98 A 99 1 n ALA . 99 A 99 A 100 1 n ARG . 100 A 100 A 101 1 n SER . 101 A 101 A 102 1 n TYR . 102 A 102 A 103 1 n TYR . 103 A 103 A 104 1 n ARG . 104 A 104 A 105 1 n TYR . 105 A 105 A 106 1 n ASP . 106 A 106 A 107 1 n GLY . 107 A 107 A 108 1 n MET . 108 A 108 A 109 1 n ASP . 109 A 109 A 110 1 n TYR . 110 A 110 A 111 1 n TRP . 111 A 111 A 112 1 n GLY . 112 A 112 A 113 1 n GLN . 113 A 113 A 114 1 n GLY . 114 A 114 A 115 1 n THR . 115 A 115 A 116 1 n THR . 116 A 116 A 117 1 n VAL . 117 A 117 A 118 1 n THR . 118 A 118 A 119 1 n VAL . 119 A 119 A 120 1 n SER . 120 A 120 A 121 1 n SER . 121 A 121 B 1 2 n GLU . 1 B 1 B 2 2 n ILE . 2 B 2 B 3 2 n VAL . 3 B 3 B 4 2 n LEU . 4 B 4 B 5 2 n THR . 5 B 5 B 6 2 n GLN . 6 B 6 B 7 2 n SER . 7 B 7 B 8 2 n PRO . 8 B 8 B 9 2 n ALA . 9 B 9 B 10 2 n THR . 10 B 10 B 11 2 n LEU . 11 B 11 B 12 2 n SER . 12 B 12 B 13 2 n LEU . 13 B 13 B 14 2 n SER . 14 B 14 B 15 2 n PRO . 15 B 15 B 16 2 n GLY . 16 B 16 B 17 2 n GLU . 17 B 17 B 18 2 n ARG . 18 B 18 B 19 2 n ALA . 19 B 19 B 20 2 n THR . 20 B 20 B 21 2 n LEU . 21 B 21 B 22 2 n SER . 22 B 22 B 23 2 n CYS . 23 B 23 B 24 2 n SER . 24 B 24 B 25 2 n ALA . 25 B 25 B 26 2 n ILE . 26 B 26 B 27 2 n SER . 27 B 27 B 28 2 n SER . 28 B 28 B 29 2 n VAL . 29 B 29 B 30 2 n SER . 30 B 30 B 31 2 n TYR . 31 B 31 B 32 2 n MET . 32 B 32 B 33 2 n TYR . 33 B 33 B 34 2 n TRP . 34 B 34 B 35 2 n TYR . 35 B 35 B 36 2 n GLN . 36 B 36 B 37 2 n GLN . 37 B 37 B 38 2 n LYS . 38 B 38 B 39 2 n PRO . 39 B 39 B 40 2 n GLY . 40 B 40 B 41 2 n GLN . 41 B 41 B 42 2 n ALA . 42 B 42 B 43 2 n PRO . 43 B 43 B 44 2 n ARG . 44 B 44 B 45 2 n LEU . 45 B 45 B 46 2 n LEU . 46 B 46 B 47 2 n ILE . 47 B 47 B 48 2 n TYR . 48 B 48 B 49 2 n ASP . 49 B 49 B 50 2 n THR . 50 B 50 B 51 2 n SER . 51 B 51 B 52 2 n ASN . 52 B 52 B 53 2 n LEU . 53 B 53 B 54 2 n VAL . 54 B 54 B 55 2 n SER . 55 B 55 B 56 2 n GLY . 56 B 56 B 57 2 n VAL . 57 B 57 B 58 2 n PRO . 58 B 58 B 59 2 n ALA . 59 B 59 B 60 2 n ARG . 60 B 60 B 61 2 n PHE . 61 B 61 B 62 2 n SER . 62 B 62 B 63 2 n GLY . 63 B 63 B 64 2 n SER . 64 B 64 B 65 2 n GLY . 65 B 65 B 66 2 n SER . 66 B 66 B 67 2 n GLY . 67 B 67 B 68 2 n THR . 68 B 68 B 69 2 n ASP . 69 B 69 B 70 2 n TYR . 70 B 70 B 71 2 n THR . 71 B 71 B 72 2 n LEU . 72 B 72 B 73 2 n THR . 73 B 73 B 74 2 n ILE . 74 B 74 B 75 2 n SER . 75 B 75 B 76 2 n SER . 76 B 76 B 77 2 n LEU . 77 B 77 B 78 2 n GLU . 78 B 78 B 79 2 n PRO . 79 B 79 B 80 2 n GLU . 80 B 80 B 81 2 n ASP . 81 B 81 B 82 2 n PHE . 82 B 82 B 83 2 n ALA . 83 B 83 B 84 2 n VAL . 84 B 84 B 85 2 n TYR . 85 B 85 B 86 2 n TYR . 86 B 86 B 87 2 n CYS . 87 B 87 B 88 2 n GLN . 88 B 88 B 89 2 n GLN . 89 B 89 B 90 2 n TRP . 90 B 90 B 91 2 n ASN . 91 B 91 B 92 2 n THR . 92 B 92 B 93 2 n TYR . 93 B 93 B 94 2 n PRO . 94 B 94 B 95 2 n TYR . 95 B 95 B 96 2 n THR . 96 B 96 B 97 2 n PHE . 97 B 97 B 98 2 n GLY . 98 B 98 B 99 2 n GLY . 99 B 99 B 100 2 n GLY . 100 B 100 B 101 2 n THR . 101 B 101 B 102 2 n LYS . 102 B 102 B 103 2 n VAL . 103 B 103 B 104 2 n GLU . 104 B 104 B 105 2 n ILE . 105 B 105 B 106 2 n LYS . 106 B 106 C 1 3 n ALA . 1 C 1 C 2 3 n VAL . 2 C 2 C 3 3 n ASN . 3 C 3 C 4 3 n GLY . 4 C 4 C 5 3 n THR . 5 C 5 C 6 3 n SER . 6 C 6 C 7 3 n GLN . 7 C 7 C 8 3 n PHE . 8 C 8 C 9 3 n THR . 9 C 9 C 10 3 n CYS . 10 C 10 C 11 3 n PHE . 11 C 11 C 12 3 n TYR . 12 C 12 C 13 3 n ASN . 13 C 13 C 14 3 n SER . 14 C 14 C 15 3 n ARG . 15 C 15 C 16 3 n ALA . 16 C 16 C 17 3 n ASN . 17 C 17 C 18 3 n ILE . 18 C 18 C 19 3 n SER . 19 C 19 C 20 3 n CYS . 20 C 20 C 21 3 n VAL . 21 C 21 C 22 3 n TRP . 22 C 22 C 23 3 n SER . 23 C 23 C 24 3 n GLN . 24 C 24 C 25 3 n ASP . 25 C 25 C 26 3 n GLY . 26 C 26 C 27 3 n ALA . 27 C 27 C 28 3 n LEU . 28 C 28 C 29 3 n GLN . 29 C 29 C 30 3 n ASP . 30 C 30 C 31 3 n THR . 31 C 31 C 32 3 n SER . 32 C 32 C 33 3 n CYS . 33 C 33 C 34 3 n GLN . 34 C 34 C 35 3 n VAL . 35 C 35 C 36 3 n HIS . 36 C 36 C 37 3 n ALA . 37 C 37 C 38 3 n TRP . 38 C 38 C 39 3 n PRO . 39 C 39 C 40 3 n ASP . 40 C 40 C 41 3 n ARG . 41 C 41 C 42 3 n ARG . 42 C 42 C 43 3 n ARG . 43 C 43 C 44 3 n TRP . 44 C 44 C 45 3 n ASN . 45 C 45 C 46 3 n GLN . 46 C 46 C 47 3 n THR . 47 C 47 C 48 3 n CYS . 48 C 48 C 49 3 n GLU . 49 C 49 C 50 3 n LEU . 50 C 50 C 51 3 n LEU . 51 C 51 C 52 3 n PRO . 52 C 52 C 53 3 n VAL . 53 C 53 C 54 3 n SER . 54 C 54 C 55 3 n GLN . 55 C 55 C 56 3 n ALA . 56 C 56 C 57 3 n SER . 57 C 57 C 58 3 n TRP . 58 C 58 C 59 3 n ALA . 59 C 59 C 60 3 n CYS . 60 C 60 C 61 3 n ASN . 61 C 61 C 62 3 n LEU . 62 C 62 C 63 3 n ILE . 63 C 63 C 64 3 n LEU . 64 C 64 C 65 3 n GLY . 65 C 65 C 66 3 n ALA . 66 C 66 C 67 3 n PRO . 67 C 67 C 68 3 n ASP . 68 C 68 C 69 3 n SER . 69 C 69 C 70 3 n GLN . 70 C 70 C 71 3 n LYS . 71 C 71 C 72 3 n LEU . 72 C 72 C 73 3 n THR . 73 C 73 C 74 3 n THR . 74 C 74 C 75 3 n VAL . 75 C 75 C 76 3 n ASP . 76 C 76 C 77 3 n ILE . 77 C 77 C 78 3 n VAL . 78 C 78 C 79 3 n THR . 79 C 79 C 80 3 n LEU . 80 C 80 C 81 3 n ARG . 81 C 81 C 82 3 n VAL . 82 C 82 C 83 3 n LEU . 83 C 83 C 84 3 n CYS . 84 C 84 C 85 3 n ARG . 85 C 85 C 86 3 n GLU . 86 C 86 C 87 3 n GLY . 87 C 87 C 88 3 n VAL . 88 C 88 C 89 3 n ARG . 89 C 89 C 90 3 n TRP . 90 C 90 C 91 3 n ARG . 91 C 91 C 92 3 n VAL . 92 C 92 C 93 3 n MET . 93 C 93 C 94 3 n ALA . 94 C 94 C 95 3 n ILE . 95 C 95 C 96 3 n GLN . 96 C 96 C 97 3 n ASP . 97 C 97 C 98 3 n PHE . 98 C 98 C 99 3 n LYS . 99 C 99 C 100 3 n PRO . 100 C 100 C 101 3 n PHE . 101 C 101 C 102 3 n GLU . 102 C 102 C 103 3 n ASN . 103 C 103 C 104 3 n LEU . 104 C 104 C 105 3 n ARG . 105 C 105 C 106 3 n LEU . 106 C 106 C 107 3 n MET . 107 C 107 C 108 3 n ALA . 108 C 108 C 109 3 n PRO . 109 C 109 C 110 3 n ILE . 110 C 110 C 111 3 n SER . 111 C 111 C 112 3 n LEU . 112 C 112 C 113 3 n GLN . 113 C 113 C 114 3 n VAL . 114 C 114 C 115 3 n VAL . 115 C 115 C 116 3 n HIS . 116 C 116 C 117 3 n VAL . 117 C 117 C 118 3 n GLU . 118 C 118 C 119 3 n THR . 119 C 119 C 120 3 n HIS . 120 C 120 C 121 3 n ARG . 121 C 121 C 122 3 n CYS . 122 C 122 C 123 3 n ASN . 123 C 123 C 124 3 n ILE . 124 C 124 C 125 3 n SER . 125 C 125 C 126 3 n TRP . 126 C 126 C 127 3 n GLU . 127 C 127 C 128 3 n ILE . 128 C 128 C 129 3 n SER . 129 C 129 C 130 3 n GLN . 130 C 130 C 131 3 n ALA . 131 C 131 C 132 3 n SER . 132 C 132 C 133 3 n HIS . 133 C 133 C 134 3 n TYR . 134 C 134 C 135 3 n PHE . 135 C 135 C 136 3 n GLU . 136 C 136 C 137 3 n ARG . 137 C 137 C 138 3 n HIS . 138 C 138 C 139 3 n LEU . 139 C 139 C 140 3 n GLU . 140 C 140 C 141 3 n PHE . 141 C 141 C 142 3 n GLU . 142 C 142 C 143 3 n ALA . 143 C 143 C 144 3 n ARG . 144 C 144 C 145 3 n THR . 145 C 145 C 146 3 n LEU . 146 C 146 C 147 3 n SER . 147 C 147 C 148 3 n PRO . 148 C 148 C 149 3 n GLY . 149 C 149 C 150 3 n HIS . 150 C 150 C 151 3 n THR . 151 C 151 C 152 3 n TRP . 152 C 152 C 153 3 n GLU . 153 C 153 C 154 3 n GLU . 154 C 154 C 155 3 n ALA . 155 C 155 C 156 3 n PRO . 156 C 156 C 157 3 n LEU . 157 C 157 C 158 3 n LEU . 158 C 158 C 159 3 n THR . 159 C 159 C 160 3 n LEU . 160 C 160 C 161 3 n LYS . 161 C 161 C 162 3 n GLN . 162 C 162 C 163 3 n LYS . 163 C 163 C 164 3 n GLN . 164 C 164 C 165 3 n GLU . 165 C 165 C 166 3 n TRP . 166 C 166 C 167 3 n ILE . 167 C 167 C 168 3 n CYS . 168 C 168 C 169 3 n LEU . 169 C 169 C 170 3 n GLU . 170 C 170 C 171 3 n THR . 171 C 171 C 172 3 n LEU . 172 C 172 C 173 3 n THR . 173 C 173 C 174 3 n PRO . 174 C 174 C 175 3 n ASP . 175 C 175 C 176 3 n THR . 176 C 176 C 177 3 n GLN . 177 C 177 C 178 3 n TYR . 178 C 178 C 179 3 n GLU . 179 C 179 C 180 3 n PHE . 180 C 180 C 181 3 n GLN . 181 C 181 C 182 3 n VAL . 182 C 182 C 183 3 n ARG . 183 C 183 C 184 3 n VAL . 184 C 184 C 185 3 n LYS . 185 C 185 C 186 3 n PRO . 186 C 186 C 187 3 n LEU . 187 C 187 C 188 3 n GLN . 188 C 188 C 189 3 n GLY . 189 C 189 C 190 3 n GLU . 190 C 190 C 191 3 n PHE . 191 C 191 C 192 3 n THR . 192 C 192 C 193 3 n THR . 193 C 193 C 194 3 n TRP . 194 C 194 C 195 3 n SER . 195 C 195 C 196 3 n PRO . 196 C 196 C 197 3 n TRP . 197 C 197 C 198 3 n SER . 198 C 198 C 199 3 n GLN . 199 C 199 C 200 3 n PRO . 200 C 200 C 201 3 n LEU . 201 C 201 C 202 3 n ALA . 202 C 202 C 203 3 n PHE . 203 C 203 C 204 3 n ARG . 204 C 204 C 205 3 n THR . 205 C 205 C 206 3 n LYS . 206 C 206 C 207 3 n PRO . 207 C 207 C 208 3 n ALA . 208 C 208 C 209 3 n ALA . 209 C 209 C 210 3 n LEU . 210 C 210 C 211 3 n GLY . 211 C 211 C 212 3 n LYS . 212 C 212 C 213 3 n ASP . 213 C 213 C 214 3 n THR . 214 C 214 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fb0b9d13-0bdd-4522-ba5f-0ee1f426d085 @ 2025-01-17 11:50:10)" # loop_ _struct_asym.entity_id _struct_asym.id 1 A 2 B 3 C # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLU A 1 1 ? 11.197 6.650 25.875 1.00 82.03 1 A 1 ATOM 2 C CA . GLU A 1 1 ? 10.443 5.378 25.806 1.00 89.27 1 A 1 ATOM 3 C C . GLU A 1 1 ? 9.113 5.632 25.111 1.00 91.01 1 A 1 ATOM 4 O O . GLU A 1 1 ? 8.547 6.706 25.291 1.00 86.82 1 A 1 ATOM 5 C CB . GLU A 1 1 ? 10.252 4.833 27.220 1.00 81.08 1 A 1 ATOM 6 C CG . GLU A 1 1 ? 9.656 3.429 27.243 1.00 66.77 1 A 1 ATOM 7 C CD . GLU A 1 1 ? 9.628 2.839 28.661 1.00 58.54 1 A 1 ATOM 8 O OE1 . GLU A 1 1 ? 9.294 1.652 28.750 1.00 49.05 1 A 1 ATOM 9 O OE2 . GLU A 1 1 ? 9.966 3.573 29.606 1.00 54.08 1 A 1 ATOM 10 N N . VAL A 1 2 ? 8.642 4.709 24.293 1.00 92.25 2 A 1 ATOM 11 C CA . VAL A 1 2 ? 7.333 4.830 23.634 1.00 92.54 2 A 1 ATOM 12 C C . VAL A 1 2 ? 6.247 4.541 24.656 1.00 93.50 2 A 1 ATOM 13 O O . VAL A 1 2 ? 6.276 3.490 25.297 1.00 92.45 2 A 1 ATOM 14 C CB . VAL A 1 2 ? 7.205 3.877 22.443 1.00 89.96 2 A 1 ATOM 15 C CG1 . VAL A 1 2 ? 5.798 3.912 21.836 1.00 86.14 2 A 1 ATOM 16 C CG2 . VAL A 1 2 ? 8.224 4.224 21.354 1.00 86.31 2 A 1 ATOM 17 N N . GLN A 1 3 ? 5.277 5.440 24.786 1.00 95.46 3 A 1 ATOM 18 C CA . GLN A 1 3 ? 4.170 5.290 25.720 1.00 96.06 3 A 1 ATOM 19 C C . GLN A 1 3 ? 2.858 5.759 25.093 1.00 96.89 3 A 1 ATOM 20 O O . GLN A 1 3 ? 2.811 6.783 24.408 1.00 96.24 3 A 1 ATOM 21 C CB . GLN A 1 3 ? 4.505 6.046 27.010 1.00 94.54 3 A 1 ATOM 22 C CG . GLN A 1 3 ? 3.567 5.653 28.157 1.00 84.11 3 A 1 ATOM 23 C CD . GLN A 1 3 ? 3.917 6.342 29.479 1.00 81.70 3 A 1 ATOM 24 O OE1 . GLN A 1 3 ? 4.735 7.244 29.555 1.00 73.87 3 A 1 ATOM 25 N NE2 . GLN A 1 3 ? 3.293 5.950 30.560 1.00 69.24 3 A 1 ATOM 26 N N . LEU A 1 4 ? 1.796 5.004 25.355 1.00 97.35 4 A 1 ATOM 27 C CA . LEU A 1 4 ? 0.423 5.343 25.015 1.00 97.72 4 A 1 ATOM 28 C C . LEU A 1 4 ? -0.401 5.303 26.304 1.00 97.92 4 A 1 ATOM 29 O O . LEU A 1 4 ? -0.287 4.365 27.082 1.00 96.93 4 A 1 ATOM 30 C CB . LEU A 1 4 ? -0.134 4.335 23.987 1.00 97.32 4 A 1 ATOM 31 C CG . LEU A 1 4 ? 0.636 4.270 22.656 1.00 96.26 4 A 1 ATOM 32 C CD1 . LEU A 1 4 ? 0.024 3.203 21.755 1.00 94.01 4 A 1 ATOM 33 C CD2 . LEU A 1 4 ? 0.595 5.595 21.899 1.00 93.48 4 A 1 ATOM 34 N N . VAL A 1 5 ? -1.215 6.337 26.536 1.00 97.71 5 A 1 ATOM 35 C CA . VAL A 1 5 ? -2.044 6.449 27.741 1.00 97.77 5 A 1 ATOM 36 C C . VAL A 1 5 ? -3.460 6.827 27.342 1.00 97.94 5 A 1 ATOM 37 O O . VAL A 1 5 ? -3.723 7.949 26.915 1.00 97.12 5 A 1 ATOM 38 C CB . VAL A 1 5 ? -1.468 7.464 28.745 1.00 96.95 5 A 1 ATOM 39 C CG1 . VAL A 1 5 ? -2.315 7.514 30.019 1.00 92.99 5 A 1 ATOM 40 C CG2 . VAL A 1 5 ? -0.040 7.107 29.152 1.00 93.31 5 A 1 ATOM 41 N N . GLU A 1 6 ? -4.388 5.893 27.501 1.00 97.62 6 A 1 ATOM 42 C CA . GLU A 1 6 ? -5.807 6.133 27.294 1.00 97.69 6 A 1 ATOM 43 C C . GLU A 1 6 ? -6.445 6.832 28.493 1.00 97.69 6 A 1 ATOM 44 O O . GLU A 1 6 ? -6.085 6.630 29.649 1.00 96.61 6 A 1 ATOM 45 C CB . GLU A 1 6 ? -6.572 4.837 26.975 1.00 96.34 6 A 1 ATOM 46 C CG . GLU A 1 6 ? -6.041 4.065 25.762 1.00 93.72 6 A 1 ATOM 47 C CD . GLU A 1 6 ? -4.980 3.023 26.134 1.00 96.40 6 A 1 ATOM 48 O OE1 . GLU A 1 6 ? -4.877 2.021 25.398 1.00 92.33 6 A 1 ATOM 49 O OE2 . GLU A 1 6 ? -4.296 3.165 27.159 1.00 93.47 6 A 1 ATOM 50 N N . SER A 1 7 ? -7.455 7.657 28.196 1.00 97.68 7 A 1 ATOM 51 C CA . SER A 1 7 ? -8.262 8.343 29.201 1.00 97.50 7 A 1 ATOM 52 C C . SER A 1 7 ? -9.668 8.633 28.674 1.00 97.77 7 A 1 ATOM 53 O O . SER A 1 7 ? -9.949 8.473 27.486 1.00 96.66 7 A 1 ATOM 54 C CB . SER A 1 7 ? -7.557 9.625 29.653 1.00 96.23 7 A 1 ATOM 55 O OG . SER A 1 7 ? -7.354 10.503 28.562 1.00 91.51 7 A 1 ATOM 56 N N . GLY A 1 8 ? -10.569 9.078 29.537 1.00 97.17 8 A 1 ATOM 57 C CA . GLY A 1 8 ? -11.934 9.467 29.175 1.00 96.98 8 A 1 ATOM 58 C C . GLY A 1 8 ? -12.970 8.346 29.292 1.00 97.13 8 A 1 ATOM 59 O O . GLY A 1 8 ? -14.138 8.595 29.012 1.00 94.30 8 A 1 ATOM 60 N N . GLY A 1 9 ? -12.581 7.159 29.713 1.00 97.07 9 A 1 ATOM 61 C CA . GLY A 1 9 ? -13.521 6.099 30.067 1.00 96.97 9 A 1 ATOM 62 C C . GLY A 1 9 ? -14.414 6.476 31.256 1.00 96.96 9 A 1 ATOM 63 O O . GLY A 1 9 ? -14.163 7.446 31.972 1.00 94.31 9 A 1 ATOM 64 N N . GLY A 1 10 ? -15.489 5.718 31.451 1.00 96.57 10 A 1 ATOM 65 C CA . GLY A 1 10 ? -16.437 5.961 32.529 1.00 96.35 10 A 1 ATOM 66 C C . GLY A 1 10 ? -17.768 5.246 32.338 1.00 97.34 10 A 1 ATOM 67 O O . GLY A 1 10 ? -17.935 4.429 31.435 1.00 96.15 10 A 1 ATOM 68 N N . LEU A 1 11 ? -18.717 5.580 33.206 1.00 96.90 11 A 1 ATOM 69 C CA . LEU A 1 11 ? -20.093 5.098 33.133 1.00 97.04 11 A 1 ATOM 70 C C . LEU A 1 11 ? -20.933 6.053 32.289 1.00 97.09 11 A 1 ATOM 71 O O . LEU A 1 11 ? -20.924 7.264 32.522 1.00 95.05 11 A 1 ATOM 72 C CB . LEU A 1 11 ? -20.641 4.955 34.564 1.00 95.54 11 A 1 ATOM 73 C CG . LEU A 1 11 ? -22.084 4.402 34.638 1.00 89.08 11 A 1 ATOM 74 C CD1 . LEU A 1 11 ? -22.166 2.949 34.183 1.00 80.35 11 A 1 ATOM 75 C CD2 . LEU A 1 11 ? -22.580 4.464 36.084 1.00 80.58 11 A 1 ATOM 76 N N . VAL A 1 12 ? -21.683 5.512 31.329 1.00 97.48 12 A 1 ATOM 77 C CA . VAL A 1 12 ? -22.562 6.263 30.429 1.00 97.37 12 A 1 ATOM 78 C C . VAL A 1 12 ? -23.875 5.509 30.266 1.00 97.67 12 A 1 ATOM 79 O O . VAL A 1 12 ? -23.897 4.278 30.241 1.00 96.39 12 A 1 ATOM 80 C CB . VAL A 1 12 ? -21.877 6.500 29.068 1.00 95.40 12 A 1 ATOM 81 C CG1 . VAL A 1 12 ? -22.766 7.219 28.062 1.00 84.31 12 A 1 ATOM 82 C CG2 . VAL A 1 12 ? -20.637 7.380 29.243 1.00 83.46 12 A 1 ATOM 83 N N . GLN A 1 13 ? -24.979 6.239 30.132 1.00 97.16 13 A 1 ATOM 84 C CA . GLN A 1 13 ? -26.278 5.634 29.850 1.00 96.91 13 A 1 ATOM 85 C C . GLN A 1 13 ? -26.396 5.237 28.369 1.00 97.35 13 A 1 ATOM 86 O O . GLN A 1 13 ? -25.810 5.894 27.504 1.00 96.48 13 A 1 ATOM 87 C CB . GLN A 1 13 ? -27.404 6.592 30.246 1.00 95.38 13 A 1 ATOM 88 C CG . GLN A 1 13 ? -27.494 6.755 31.772 1.00 87.73 13 A 1 ATOM 89 C CD . GLN A 1 13 ? -28.687 7.612 32.209 1.00 81.17 13 A 1 ATOM 90 O OE1 . GLN A 1 13 ? -29.308 8.317 31.435 1.00 71.47 13 A 1 ATOM 91 N NE2 . GLN A 1 13 ? -29.039 7.585 33.469 1.00 67.27 13 A 1 ATOM 92 N N . PRO A 1 14 ? -27.197 4.204 28.037 1.00 97.53 14 A 1 ATOM 93 C CA . PRO A 1 14 ? -27.536 3.885 26.663 1.00 97.58 14 A 1 ATOM 94 C C . PRO A 1 14 ? -28.059 5.106 25.897 1.00 97.51 14 A 1 ATOM 95 O O . PRO A 1 14 ? -28.847 5.888 26.421 1.00 96.09 14 A 1 ATOM 96 C CB . PRO A 1 14 ? -28.597 2.779 26.746 1.00 96.70 14 A 1 ATOM 97 C CG . PRO A 1 14 ? -28.306 2.113 28.086 1.00 94.82 14 A 1 ATOM 98 C CD . PRO A 1 14 ? -27.842 3.279 28.957 1.00 96.97 14 A 1 ATOM 99 N N . GLY A 1 15 ? -27.599 5.291 24.662 1.00 97.21 15 A 1 ATOM 100 C CA . GLY A 1 15 ? -27.867 6.471 23.838 1.00 97.05 15 A 1 ATOM 101 C C . GLY A 1 15 ? -26.940 7.662 24.103 1.00 97.33 15 A 1 ATOM 102 O O . GLY A 1 15 ? -26.887 8.577 23.284 1.00 95.34 15 A 1 ATOM 103 N N . GLY A 1 16 ? -26.173 7.636 25.183 1.00 97.02 16 A 1 ATOM 104 C CA . GLY A 1 16 ? -25.214 8.665 25.530 1.00 96.81 16 A 1 ATOM 105 C C . GLY A 1 16 ? -24.007 8.744 24.598 1.00 97.41 16 A 1 ATOM 106 O O . GLY A 1 16 ? -23.847 7.955 23.659 1.00 96.62 16 A 1 ATOM 107 N N . SER A 1 17 ? -23.160 9.721 24.900 1.00 97.40 17 A 1 ATOM 108 C CA . SER A 1 17 ? -21.909 9.947 24.171 1.00 97.47 17 A 1 ATOM 109 C C . SER A 1 17 ? -20.726 10.038 25.128 1.00 97.43 17 A 1 ATOM 110 O O . SER A 1 17 ? -20.855 10.523 26.248 1.00 96.01 17 A 1 ATOM 111 C CB . SER A 1 17 ? -21.988 11.212 23.318 1.00 96.21 17 A 1 ATOM 112 O OG . SER A 1 17 ? -22.995 11.084 22.324 1.00 87.16 17 A 1 ATOM 113 N N . LEU A 1 18 ? -19.562 9.609 24.670 1.00 97.47 18 A 1 ATOM 114 C CA . LEU A 1 18 ? -18.313 9.674 25.413 1.00 97.31 18 A 1 ATOM 115 C C . LEU A 1 18 ? -17.163 9.930 24.447 1.00 97.94 18 A 1 ATOM 116 O O . LEU A 1 18 ? -17.182 9.453 23.313 1.00 97.21 18 A 1 ATOM 117 C CB . LEU A 1 18 ? -18.138 8.360 26.185 1.00 95.45 18 A 1 ATOM 118 C CG . LEU A 1 18 ? -17.042 8.382 27.254 1.00 90.70 18 A 1 ATOM 119 C CD1 . LEU A 1 18 ? -17.418 9.269 28.443 1.00 86.07 18 A 1 ATOM 120 C CD2 . LEU A 1 18 ? -16.818 6.970 27.784 1.00 86.32 18 A 1 ATOM 121 N N . ARG A 1 19 ? -16.135 10.666 24.881 1.00 97.95 19 A 1 ATOM 122 C CA . ARG A 1 19 ? -14.924 10.895 24.093 1.00 98.13 19 A 1 ATOM 123 C C . ARG A 1 19 ? -13.730 10.285 24.811 1.00 98.26 19 A 1 ATOM 124 O O . ARG A 1 19 ? -13.372 10.745 25.887 1.00 97.63 19 A 1 ATOM 125 C CB . ARG A 1 19 ? -14.741 12.394 23.834 1.00 97.47 19 A 1 ATOM 126 C CG . ARG A 1 19 ? -13.578 12.655 22.857 1.00 94.54 19 A 1 ATOM 127 C CD . ARG A 1 19 ? -13.436 14.149 22.593 1.00 91.17 19 A 1 ATOM 128 N NE . ARG A 1 19 ? -12.384 14.430 21.614 1.00 83.10 19 A 1 ATOM 129 C CZ . ARG A 1 19 ? -11.860 15.615 21.333 1.00 77.04 19 A 1 ATOM 130 N NH1 . ARG A 1 19 ? -12.251 16.694 21.944 1.00 69.47 19 A 1 ATOM 131 N NH2 . ARG A 1 19 ? -10.934 15.730 20.432 1.00 70.41 19 A 1 ATOM 132 N N . LEU A 1 20 ? -13.102 9.315 24.179 1.00 98.29 20 A 1 ATOM 133 C CA . LEU A 1 20 ? -11.830 8.780 24.634 1.00 98.30 20 A 1 ATOM 134 C C . LEU A 1 20 ? -10.670 9.579 24.032 1.00 98.40 20 A 1 ATOM 135 O O . LEU A 1 20 ? -10.768 10.076 22.913 1.00 97.89 20 A 1 ATOM 136 C CB . LEU A 1 20 ? -11.708 7.287 24.293 1.00 98.21 20 A 1 ATOM 137 C CG . LEU A 1 20 ? -12.881 6.412 24.763 1.00 97.54 20 A 1 ATOM 138 C CD1 . LEU A 1 20 ? -12.572 4.948 24.465 1.00 96.32 20 A 1 ATOM 139 C CD2 . LEU A 1 20 ? -13.153 6.559 26.259 1.00 96.12 20 A 1 ATOM 140 N N . SER A 1 21 ? -9.588 9.672 24.789 1.00 98.30 21 A 1 ATOM 141 C CA . SER A 1 21 ? -8.330 10.251 24.348 1.00 98.22 21 A 1 ATOM 142 C C . SER A 1 21 ? -7.201 9.250 24.581 1.00 98.39 21 A 1 ATOM 143 O O . SER A 1 21 ? -7.232 8.512 25.565 1.00 97.55 21 A 1 ATOM 144 C CB . SER A 1 21 ? -8.028 11.556 25.089 1.00 97.47 21 A 1 ATOM 145 O OG . SER A 1 21 ? -9.088 12.491 24.897 1.00 85.59 21 A 1 ATOM 146 N N . CYS A 1 22 ? -6.214 9.250 23.692 1.00 98.35 22 A 1 ATOM 147 C CA . CYS A 1 22 ? -4.976 8.509 23.840 1.00 98.22 22 A 1 ATOM 148 C C . CYS A 1 22 ? -3.818 9.475 23.640 1.00 98.28 22 A 1 ATOM 149 O O . CYS A 1 22 ? -3.665 10.032 22.551 1.00 97.42 22 A 1 ATOM 150 C CB . CYS A 1 22 ? -4.968 7.358 22.830 1.00 97.61 22 A 1 ATOM 151 S SG . CYS A 1 22 ? -3.362 6.535 22.644 1.00 96.76 22 A 1 ATOM 152 N N . ALA A 1 23 ? -3.031 9.702 24.674 1.00 98.12 23 A 1 ATOM 153 C CA . ALA A 1 23 ? -1.838 10.535 24.616 1.00 98.07 23 A 1 ATOM 154 C C . ALA A 1 23 ? -0.624 9.670 24.266 1.00 98.01 23 A 1 ATOM 155 O O . ALA A 1 23 ? -0.336 8.697 24.955 1.00 97.27 23 A 1 ATOM 156 C CB . ALA A 1 23 ? -1.678 11.265 25.951 1.00 97.64 23 A 1 ATOM 157 N N . ALA A 1 24 ? 0.073 10.031 23.193 1.00 97.79 24 A 1 ATOM 158 C CA . ALA A 1 24 ? 1.248 9.340 22.700 1.00 97.56 24 A 1 ATOM 159 C C . ALA A 1 24 ? 2.529 10.118 23.052 1.00 97.60 24 A 1 ATOM 160 O O . ALA A 1 24 ? 2.566 11.345 22.998 1.00 96.70 24 A 1 ATOM 161 C CB . ALA A 1 24 ? 1.089 9.129 21.196 1.00 96.56 24 A 1 ATOM 162 N N . SER A 1 25 ? 3.600 9.401 23.369 1.00 97.11 25 A 1 ATOM 163 C CA . SER A 1 25 ? 4.914 9.998 23.620 1.00 96.78 25 A 1 ATOM 164 C C . SER A 1 25 ? 6.056 9.065 23.230 1.00 96.39 25 A 1 ATOM 165 O O . SER A 1 25 ? 5.872 7.859 23.055 1.00 94.68 25 A 1 ATOM 166 C CB . SER A 1 25 ? 5.027 10.435 25.094 1.00 95.98 25 A 1 ATOM 167 O OG . SER A 1 25 ? 4.905 9.327 25.963 1.00 89.49 25 A 1 ATOM 168 N N . GLY A 1 26 ? 7.257 9.631 23.058 1.00 95.22 26 A 1 ATOM 169 C CA . GLY A 1 26 ? 8.472 8.865 22.779 1.00 94.25 26 A 1 ATOM 170 C C . GLY A 1 26 ? 8.678 8.450 21.322 1.00 93.82 26 A 1 ATOM 171 O O . GLY A 1 26 ? 9.593 7.672 21.044 1.00 91.11 26 A 1 ATOM 172 N N . PHE A 1 27 ? 7.866 8.959 20.388 1.00 93.25 27 A 1 ATOM 173 C CA . PHE A 1 27 ? 8.013 8.730 18.946 1.00 92.61 27 A 1 ATOM 174 C C . PHE A 1 27 ? 7.377 9.864 18.135 1.00 92.44 27 A 1 ATOM 175 O O . PHE A 1 27 ? 6.574 10.632 18.656 1.00 91.52 27 A 1 ATOM 176 C CB . PHE A 1 27 ? 7.409 7.375 18.558 1.00 92.33 27 A 1 ATOM 177 C CG . PHE A 1 27 ? 5.899 7.268 18.721 1.00 92.55 27 A 1 ATOM 178 C CD1 . PHE A 1 27 ? 5.335 7.007 19.976 1.00 92.24 27 A 1 ATOM 179 C CD2 . PHE A 1 27 ? 5.062 7.384 17.597 1.00 92.35 27 A 1 ATOM 180 C CE1 . PHE A 1 27 ? 3.939 6.856 20.114 1.00 91.68 27 A 1 ATOM 181 C CE2 . PHE A 1 27 ? 3.674 7.234 17.729 1.00 91.59 27 A 1 ATOM 182 C CZ . PHE A 1 27 ? 3.113 6.968 18.991 1.00 92.59 27 A 1 ATOM 183 N N . THR A 1 28 ? 7.701 9.956 16.843 1.00 91.96 28 A 1 ATOM 184 C CA . THR A 1 28 ? 7.109 10.929 15.917 1.00 90.79 28 A 1 ATOM 185 C C . THR A 1 28 ? 5.689 10.487 15.559 1.00 90.70 28 A 1 ATOM 186 O O . THR A 1 28 ? 5.480 9.715 14.635 1.00 89.96 28 A 1 ATOM 187 C CB . THR A 1 28 ? 7.961 11.089 14.655 1.00 89.34 28 A 1 ATOM 188 O OG1 . THR A 1 28 ? 9.306 11.309 15.012 1.00 84.38 28 A 1 ATOM 189 C CG2 . THR A 1 28 ? 7.521 12.302 13.835 1.00 83.68 28 A 1 ATOM 190 N N . PHE A 1 29 ? 4.706 10.985 16.298 1.00 93.06 29 A 1 ATOM 191 C CA . PHE A 1 29 ? 3.313 10.533 16.211 1.00 93.98 29 A 1 ATOM 192 C C . PHE A 1 29 ? 2.711 10.625 14.798 1.00 93.11 29 A 1 ATOM 193 O O . PHE A 1 29 ? 1.965 9.743 14.395 1.00 91.82 29 A 1 ATOM 194 C CB . PHE A 1 29 ? 2.492 11.357 17.208 1.00 94.54 29 A 1 ATOM 195 C CG . PHE A 1 29 ? 1.030 10.973 17.283 1.00 95.55 29 A 1 ATOM 196 C CD1 . PHE A 1 29 ? 0.034 11.880 16.874 1.00 93.92 29 A 1 ATOM 197 C CD2 . PHE A 1 29 ? 0.653 9.726 17.801 1.00 94.19 29 A 1 ATOM 198 C CE1 . PHE A 1 29 ? -1.317 11.547 16.991 1.00 94.26 29 A 1 ATOM 199 C CE2 . PHE A 1 29 ? -0.705 9.388 17.925 1.00 94.04 29 A 1 ATOM 200 C CZ . PHE A 1 29 ? -1.693 10.301 17.524 1.00 95.85 29 A 1 ATOM 201 N N . SER A 1 30 ? 3.066 11.653 14.023 1.00 92.02 30 A 1 ATOM 202 C CA . SER A 1 30 ? 2.571 11.875 12.660 1.00 90.25 30 A 1 ATOM 203 C C . SER A 1 30 ? 2.950 10.784 11.659 1.00 88.76 30 A 1 ATOM 204 O O . SER A 1 30 ? 2.280 10.656 10.639 1.00 86.77 30 A 1 ATOM 205 C CB . SER A 1 30 ? 3.089 13.220 12.131 1.00 89.73 30 A 1 ATOM 206 O OG . SER A 1 30 ? 4.496 13.288 12.183 1.00 86.17 30 A 1 ATOM 207 N N . ASP A 1 31 ? 3.982 9.995 11.936 1.00 86.47 31 A 1 ATOM 208 C CA . ASP A 1 31 ? 4.495 8.987 11.008 1.00 83.04 31 A 1 ATOM 209 C C . ASP A 1 31 ? 3.770 7.641 11.146 1.00 82.57 31 A 1 ATOM 210 O O . ASP A 1 31 ? 3.855 6.789 10.262 1.00 81.41 31 A 1 ATOM 211 C CB . ASP A 1 31 ? 6.007 8.823 11.211 1.00 81.43 31 A 1 ATOM 212 C CG . ASP A 1 31 ? 6.812 10.099 10.956 1.00 77.81 31 A 1 ATOM 213 O OD1 . ASP A 1 31 ? 6.256 11.068 10.391 1.00 73.85 31 A 1 ATOM 214 O OD2 . ASP A 1 31 ? 7.987 10.128 11.374 1.00 72.76 31 A 1 ATOM 215 N N . PHE A 1 32 ? 3.039 7.447 12.245 1.00 87.23 32 A 1 ATOM 216 C CA . PHE A 1 32 ? 2.412 6.174 12.584 1.00 88.11 32 A 1 ATOM 217 C C . PHE A 1 32 ? 0.908 6.177 12.325 1.00 89.18 32 A 1 ATOM 218 O O . PHE A 1 32 ? 0.211 7.186 12.470 1.00 88.77 32 A 1 ATOM 219 C CB . PHE A 1 32 ? 2.729 5.804 14.031 1.00 87.64 32 A 1 ATOM 220 C CG . PHE A 1 32 ? 4.187 5.438 14.246 1.00 86.31 32 A 1 ATOM 221 C CD1 . PHE A 1 32 ? 4.583 4.097 14.312 1.00 83.17 32 A 1 ATOM 222 C CD2 . PHE A 1 32 ? 5.161 6.446 14.351 1.00 83.02 32 A 1 ATOM 223 C CE1 . PHE A 1 32 ? 5.938 3.759 14.486 1.00 81.18 32 A 1 ATOM 224 C CE2 . PHE A 1 32 ? 6.513 6.117 14.514 1.00 80.89 32 A 1 ATOM 225 C CZ . PHE A 1 32 ? 6.904 4.773 14.585 1.00 82.80 32 A 1 ATOM 226 N N . TYR A 1 33 ? 0.377 4.989 12.002 1.00 88.36 33 A 1 ATOM 227 C CA . TYR A 1 33 ? -1.039 4.706 12.102 1.00 88.66 33 A 1 ATOM 228 C C . TYR A 1 33 ? -1.396 4.513 13.574 1.00 90.40 33 A 1 ATOM 229 O O . TYR A 1 33 ? -0.579 4.053 14.376 1.00 90.57 33 A 1 ATOM 230 C CB . TYR A 1 33 ? -1.402 3.467 11.287 1.00 85.91 33 A 1 ATOM 231 C CG . TYR A 1 33 ? -1.507 3.679 9.792 1.00 82.79 33 A 1 ATOM 232 C CD1 . TYR A 1 33 ? -2.600 3.128 9.104 1.00 76.24 33 A 1 ATOM 233 C CD2 . TYR A 1 33 ? -0.531 4.385 9.077 1.00 75.74 33 A 1 ATOM 234 C CE1 . TYR A 1 33 ? -2.705 3.269 7.710 1.00 72.47 33 A 1 ATOM 235 C CE2 . TYR A 1 33 ? -0.635 4.534 7.684 1.00 72.48 33 A 1 ATOM 236 C CZ . TYR A 1 33 ? -1.721 3.963 7.000 1.00 74.02 33 A 1 ATOM 237 O OH . TYR A 1 33 ? -1.810 4.078 5.644 1.00 70.15 33 A 1 ATOM 238 N N . MET A 1 34 ? -2.629 4.842 13.917 1.00 93.46 34 A 1 ATOM 239 C CA . MET A 1 34 ? -3.158 4.632 15.251 1.00 94.61 34 A 1 ATOM 240 C C . MET A 1 34 ? -4.458 3.843 15.173 1.00 94.89 34 A 1 ATOM 241 O O . MET A 1 34 ? -5.323 4.139 14.349 1.00 94.36 34 A 1 ATOM 242 C CB . MET A 1 34 ? -3.369 5.970 15.953 1.00 95.27 34 A 1 ATOM 243 C CG . MET A 1 34 ? -2.063 6.741 16.203 1.00 94.21 34 A 1 ATOM 244 S SD . MET A 1 34 ? -0.828 5.926 17.257 1.00 93.83 34 A 1 ATOM 245 C CE . MET A 1 34 ? -1.756 5.705 18.782 1.00 89.03 34 A 1 ATOM 246 N N . GLU A 1 35 ? -4.594 2.872 16.056 1.00 95.64 35 A 1 ATOM 247 C CA . GLU A 1 35 ? -5.672 1.896 16.072 1.00 95.89 35 A 1 ATOM 248 C C . GLU A 1 35 ? -6.445 1.996 17.391 1.00 97.29 35 A 1 ATOM 249 O O . GLU A 1 35 ? -5.859 2.190 18.455 1.00 97.19 35 A 1 ATOM 250 C CB . GLU A 1 35 ? -5.087 0.483 15.917 1.00 94.20 35 A 1 ATOM 251 C CG . GLU A 1 35 ? -4.089 0.279 14.754 1.00 91.34 35 A 1 ATOM 252 C CD . GLU A 1 35 ? -4.698 0.361 13.352 1.00 89.26 35 A 1 ATOM 253 O OE1 . GLU A 1 35 ? -3.936 0.587 12.395 1.00 84.16 35 A 1 ATOM 254 O OE2 . GLU A 1 35 ? -5.923 0.146 13.218 1.00 83.83 35 A 1 ATOM 255 N N . TRP A 1 36 ? -7.765 1.805 17.318 1.00 97.27 36 A 1 ATOM 256 C CA . TRP A 1 36 ? -8.590 1.515 18.475 1.00 97.94 36 A 1 ATOM 257 C C . TRP A 1 36 ? -9.029 0.058 18.434 1.00 97.75 36 A 1 ATOM 258 O O . TRP A 1 36 ? -9.640 -0.395 17.463 1.00 97.31 36 A 1 ATOM 259 C CB . TRP A 1 36 ? -9.779 2.466 18.546 1.00 98.30 36 A 1 ATOM 260 C CG . TRP A 1 36 ? -9.448 3.854 18.990 1.00 98.44 36 A 1 ATOM 261 C CD1 . TRP A 1 36 ? -9.376 4.940 18.191 1.00 97.99 36 A 1 ATOM 262 C CD2 . TRP A 1 36 ? -9.139 4.321 20.347 1.00 98.43 36 A 1 ATOM 263 N NE1 . TRP A 1 36 ? -9.059 6.059 18.951 1.00 98.11 36 A 1 ATOM 264 C CE2 . TRP A 1 36 ? -8.906 5.720 20.280 1.00 98.29 36 A 1 ATOM 265 C CE3 . TRP A 1 36 ? -9.043 3.696 21.603 1.00 98.37 36 A 1 ATOM 266 C CZ2 . TRP A 1 36 ? -8.587 6.481 21.423 1.00 98.18 36 A 1 ATOM 267 C CZ3 . TRP A 1 36 ? -8.722 4.454 22.749 1.00 98.09 36 A 1 ATOM 268 C CH2 . TRP A 1 36 ? -8.496 5.826 22.661 1.00 98.01 36 A 1 ATOM 269 N N . VAL A 1 37 ? -8.759 -0.667 19.520 1.00 98.20 37 A 1 ATOM 270 C CA . VAL A 1 37 ? -9.177 -2.055 19.736 1.00 98.27 37 A 1 ATOM 271 C C . VAL A 1 37 ? -9.936 -2.120 21.046 1.00 98.49 37 A 1 ATOM 272 O O . VAL A 1 37 ? -9.529 -1.505 22.021 1.00 98.14 37 A 1 ATOM 273 C CB . VAL A 1 37 ? -7.965 -3.006 19.741 1.00 97.85 37 A 1 ATOM 274 C CG1 . VAL A 1 37 ? -8.379 -4.464 19.963 1.00 96.13 37 A 1 ATOM 275 C CG2 . VAL A 1 37 ? -7.196 -2.933 18.422 1.00 96.06 37 A 1 ATOM 276 N N . ARG A 1 38 ? -11.034 -2.860 21.087 1.00 98.54 38 A 1 ATOM 277 C CA . ARG A 1 38 ? -11.773 -3.049 22.343 1.00 98.58 38 A 1 ATOM 278 C C . ARG A 1 38 ? -11.855 -4.509 22.750 1.00 98.45 38 A 1 ATOM 279 O O . ARG A 1 38 ? -11.710 -5.404 21.935 1.00 97.93 38 A 1 ATOM 280 C CB . ARG A 1 38 ? -13.141 -2.358 22.274 1.00 98.04 38 A 1 ATOM 281 C CG . ARG A 1 38 ? -14.140 -3.085 21.360 1.00 97.86 38 A 1 ATOM 282 C CD . ARG A 1 38 ? -15.458 -2.314 21.337 1.00 97.32 38 A 1 ATOM 283 N NE . ARG A 1 38 ? -16.440 -2.977 20.487 1.00 97.17 38 A 1 ATOM 284 C CZ . ARG A 1 38 ? -17.644 -2.532 20.197 1.00 97.31 38 A 1 ATOM 285 N NH1 . ARG A 1 38 ? -18.103 -1.409 20.672 1.00 95.78 38 A 1 ATOM 286 N NH2 . ARG A 1 38 ? -18.405 -3.225 19.399 1.00 95.59 38 A 1 ATOM 287 N N . GLN A 1 39 ? -12.135 -4.731 24.022 1.00 98.14 39 A 1 ATOM 288 C CA . GLN A 1 39 ? -12.334 -6.056 24.582 1.00 98.01 39 A 1 ATOM 289 C C . GLN A 1 39 ? -13.483 -6.039 25.586 1.00 98.07 39 A 1 ATOM 290 O O . GLN A 1 39 ? -13.350 -5.489 26.679 1.00 97.32 39 A 1 ATOM 291 C CB . GLN A 1 39 ? -11.019 -6.524 25.206 1.00 97.68 39 A 1 ATOM 292 C CG . GLN A 1 39 ? -11.075 -7.988 25.635 1.00 97.01 39 A 1 ATOM 293 C CD . GLN A 1 39 ? -9.725 -8.494 26.094 1.00 97.28 39 A 1 ATOM 294 O OE1 . GLN A 1 39 ? -8.902 -7.774 26.647 1.00 93.21 39 A 1 ATOM 295 N NE2 . GLN A 1 39 ? -9.428 -9.758 25.866 1.00 92.06 39 A 1 ATOM 296 N N . ALA A 1 40 ? -14.600 -6.624 25.198 1.00 97.56 40 A 1 ATOM 297 C CA . ALA A 1 40 ? -15.720 -6.797 26.103 1.00 97.44 40 A 1 ATOM 298 C C . ALA A 1 40 ? -15.349 -7.762 27.250 1.00 97.23 40 A 1 ATOM 299 O O . ALA A 1 40 ? -14.520 -8.654 27.051 1.00 96.04 40 A 1 ATOM 300 C CB . ALA A 1 40 ? -16.937 -7.287 25.310 1.00 96.96 40 A 1 ATOM 301 N N . PRO A 1 41 ? -15.961 -7.634 28.433 1.00 96.38 41 A 1 ATOM 302 C CA . PRO A 1 41 ? -15.647 -8.497 29.569 1.00 95.70 41 A 1 ATOM 303 C C . PRO A 1 41 ? -15.757 -9.988 29.220 1.00 95.37 41 A 1 ATOM 304 O O . PRO A 1 41 ? -16.790 -10.464 28.736 1.00 92.73 41 A 1 ATOM 305 C CB . PRO A 1 41 ? -16.628 -8.087 30.674 1.00 94.55 41 A 1 ATOM 306 C CG . PRO A 1 41 ? -16.942 -6.637 30.352 1.00 92.48 41 A 1 ATOM 307 C CD . PRO A 1 41 ? -16.924 -6.610 28.823 1.00 95.44 41 A 1 ATOM 308 N N . GLY A 1 42 ? -14.678 -10.737 29.444 1.00 93.53 42 A 1 ATOM 309 C CA . GLY A 1 42 ? -14.610 -12.169 29.145 1.00 92.92 42 A 1 ATOM 310 C C . GLY A 1 42 ? -14.660 -12.542 27.658 1.00 94.19 42 A 1 ATOM 311 O O . GLY A 1 42 ? -14.864 -13.708 27.329 1.00 91.75 42 A 1 ATOM 312 N N . LYS A 1 43 ? -14.491 -11.568 26.741 1.00 95.06 43 A 1 ATOM 313 C CA . LYS A 1 43 ? -14.451 -11.769 25.295 1.00 95.44 43 A 1 ATOM 314 C C . LYS A 1 43 ? -13.046 -11.541 24.730 1.00 96.10 43 A 1 ATOM 315 O O . LYS A 1 43 ? -12.124 -11.133 25.438 1.00 94.19 43 A 1 ATOM 316 C CB . LYS A 1 43 ? -15.516 -10.890 24.609 1.00 94.02 43 A 1 ATOM 317 C CG . LYS A 1 43 ? -16.961 -11.167 25.051 1.00 89.34 43 A 1 ATOM 318 C CD . LYS A 1 43 ? -17.437 -12.575 24.669 1.00 80.02 43 A 1 ATOM 319 C CE . LYS A 1 43 ? -18.919 -12.733 25.030 1.00 71.90 43 A 1 ATOM 320 N NZ . LYS A 1 43 ? -19.445 -14.057 24.622 1.00 63.45 43 A 1 ATOM 321 N N . GLY A 1 44 ? -12.901 -11.855 23.443 1.00 96.09 44 A 1 ATOM 322 C CA . GLY A 1 44 ? -11.682 -11.600 22.691 1.00 96.43 44 A 1 ATOM 323 C C . GLY A 1 44 ? -11.519 -10.131 22.288 1.00 97.38 44 A 1 ATOM 324 O O . GLY A 1 44 ? -12.336 -9.277 22.619 1.00 96.40 44 A 1 ATOM 325 N N . LEU A 1 45 ? -10.453 -9.864 21.549 1.00 97.66 45 A 1 ATOM 326 C CA . LEU A 1 45 ? -10.145 -8.549 20.999 1.00 97.72 45 A 1 ATOM 327 C C . LEU A 1 45 ? -11.009 -8.274 19.760 1.00 97.57 45 A 1 ATOM 328 O O . LEU A 1 45 ? -11.190 -9.144 18.918 1.00 96.83 45 A 1 ATOM 329 C CB . LEU A 1 45 ? -8.650 -8.479 20.660 1.00 97.71 45 A 1 ATOM 330 C CG . LEU A 1 45 ? -7.700 -8.675 21.866 1.00 97.21 45 A 1 ATOM 331 C CD1 . LEU A 1 45 ? -6.260 -8.754 21.382 1.00 96.20 45 A 1 ATOM 332 C CD2 . LEU A 1 45 ? -7.816 -7.536 22.871 1.00 95.81 45 A 1 ATOM 333 N N . GLU A 1 46 ? -11.484 -7.036 19.624 1.00 97.77 46 A 1 ATOM 334 C CA . GLU A 1 46 ? -12.204 -6.536 18.465 1.00 97.67 46 A 1 ATOM 335 C C . GLU A 1 46 ? -11.553 -5.236 17.989 1.00 97.79 46 A 1 ATOM 336 O O . GLU A 1 46 ? -11.572 -4.227 18.694 1.00 97.24 46 A 1 ATOM 337 C CB . GLU A 1 46 ? -13.692 -6.329 18.820 1.00 97.14 46 A 1 ATOM 338 C CG . GLU A 1 46 ? -14.556 -5.890 17.619 1.00 95.20 46 A 1 ATOM 339 C CD . GLU A 1 46 ? -15.963 -5.383 17.999 1.00 94.75 46 A 1 ATOM 340 O OE1 . GLU A 1 46 ? -16.710 -4.936 17.093 1.00 88.69 46 A 1 ATOM 341 O OE2 . GLU A 1 46 ? -16.310 -5.334 19.195 1.00 90.99 46 A 1 ATOM 342 N N . TRP A 1 47 ? -11.001 -5.241 16.774 1.00 97.19 47 A 1 ATOM 343 C CA . TRP A 1 47 ? -10.572 -4.003 16.126 1.00 96.58 47 A 1 ATOM 344 C C . TRP A 1 47 ? -11.802 -3.189 15.723 1.00 96.78 47 A 1 ATOM 345 O O . TRP A 1 47 ? -12.733 -3.723 15.115 1.00 95.98 47 A 1 ATOM 346 C CB . TRP A 1 47 ? -9.688 -4.317 14.927 1.00 95.24 47 A 1 ATOM 347 C CG . TRP A 1 47 ? -9.299 -3.107 14.133 1.00 94.01 47 A 1 ATOM 348 C CD1 . TRP A 1 47 ? -8.193 -2.349 14.331 1.00 92.45 47 A 1 ATOM 349 C CD2 . TRP A 1 47 ? -10.023 -2.481 13.032 1.00 92.94 47 A 1 ATOM 350 N NE1 . TRP A 1 47 ? -8.183 -1.307 13.421 1.00 91.60 47 A 1 ATOM 351 C CE2 . TRP A 1 47 ? -9.287 -1.354 12.611 1.00 91.81 47 A 1 ATOM 352 C CE3 . TRP A 1 47 ? -11.223 -2.782 12.355 1.00 91.04 47 A 1 ATOM 353 C CZ2 . TRP A 1 47 ? -9.727 -0.523 11.552 1.00 89.25 47 A 1 ATOM 354 C CZ3 . TRP A 1 47 ? -11.663 -1.955 11.300 1.00 90.10 47 A 1 ATOM 355 C CH2 . TRP A 1 47 ? -10.920 -0.840 10.910 1.00 89.69 47 A 1 ATOM 356 N N . ILE A 1 48 ? -11.826 -1.895 16.041 1.00 97.02 48 A 1 ATOM 357 C CA . ILE A 1 48 ? -12.989 -1.042 15.790 1.00 96.78 48 A 1 ATOM 358 C C . ILE A 1 48 ? -12.730 0.139 14.861 1.00 96.59 48 A 1 ATOM 359 O O . ILE A 1 48 ? -13.624 0.506 14.107 1.00 95.30 48 A 1 ATOM 360 C CB . ILE A 1 48 ? -13.640 -0.569 17.109 1.00 95.50 48 A 1 ATOM 361 C CG1 . ILE A 1 48 ? -12.675 0.214 18.016 1.00 90.10 48 A 1 ATOM 362 C CG2 . ILE A 1 48 ? -14.240 -1.786 17.848 1.00 85.24 48 A 1 ATOM 363 C CD1 . ILE A 1 48 ? -13.392 0.966 19.132 1.00 86.97 48 A 1 ATOM 364 N N . ALA A 1 49 ? -11.542 0.744 14.898 1.00 96.49 49 A 1 ATOM 365 C CA . ALA A 1 49 ? -11.236 1.903 14.071 1.00 96.23 49 A 1 ATOM 366 C C . ALA A 1 49 ? -9.731 2.097 13.889 1.00 95.75 49 A 1 ATOM 367 O O . ALA A 1 49 ? -8.937 1.722 14.751 1.00 94.76 49 A 1 ATOM 368 C CB . ALA A 1 49 ? -11.871 3.152 14.695 1.00 96.09 49 A 1 ATOM 369 N N . ALA A 1 50 ? -9.355 2.779 12.797 1.00 94.48 50 A 1 ATOM 370 C CA . ALA A 1 50 ? -8.004 3.237 12.548 1.00 93.55 50 A 1 ATOM 371 C C . ALA A 1 50 ? -7.976 4.680 12.045 1.00 93.91 50 A 1 ATOM 372 O O . ALA A 1 50 ? -8.870 5.117 11.318 1.00 93.29 50 A 1 ATOM 373 C CB . ALA A 1 50 ? -7.325 2.306 11.539 1.00 91.13 50 A 1 ATOM 374 N N . SER A 1 51 ? -6.924 5.410 12.388 1.00 93.59 51 A 1 ATOM 375 C CA . SER A 1 51 ? -6.514 6.660 11.758 1.00 93.14 51 A 1 ATOM 376 C C . SER A 1 51 ? -5.178 6.445 11.070 1.00 91.52 51 A 1 ATOM 377 O O . SER A 1 51 ? -4.191 6.100 11.725 1.00 89.60 51 A 1 ATOM 378 C CB . SER A 1 51 ? -6.400 7.772 12.804 1.00 93.52 51 A 1 ATOM 379 O OG . SER A 1 51 ? -5.979 8.976 12.205 1.00 88.91 51 A 1 ATOM 380 N N . ARG A 1 52 ? -5.128 6.688 9.763 1.00 88.12 52 A 1 ATOM 381 C CA . ARG A 1 52 ? -3.875 6.709 9.007 1.00 86.49 52 A 1 ATOM 382 C C . ARG A 1 52 ? -2.996 7.880 9.439 1.00 86.64 52 A 1 ATOM 383 O O . ARG A 1 52 ? -3.442 8.791 10.148 1.00 86.30 52 A 1 ATOM 384 C CB . ARG A 1 52 ? -4.168 6.720 7.493 1.00 84.35 52 A 1 ATOM 385 C CG . ARG A 1 52 ? -4.857 5.429 7.008 1.00 80.18 52 A 1 ATOM 386 C CD . ARG A 1 52 ? -5.022 5.451 5.498 1.00 78.22 52 A 1 ATOM 387 N NE . ARG A 1 52 ? -5.594 4.202 4.972 1.00 76.53 52 A 1 ATOM 388 C CZ . ARG A 1 52 ? -6.878 3.938 4.755 1.00 73.44 52 A 1 ATOM 389 N NH1 . ARG A 1 52 ? -7.830 4.784 5.011 1.00 66.65 52 A 1 ATOM 390 N NH2 . ARG A 1 52 ? -7.212 2.788 4.260 1.00 70.14 52 A 1 ATOM 391 N N . ASN A 1 53 ? -1.739 7.850 9.028 1.00 85.88 53 A 1 ATOM 392 C CA . ASN A 1 53 ? -0.761 8.887 9.327 1.00 83.50 53 A 1 ATOM 393 C C . ASN A 1 53 ? -0.951 10.137 8.449 1.00 83.00 53 A 1 ATOM 394 O O . ASN A 1 53 ? -1.805 10.182 7.566 1.00 81.70 53 A 1 ATOM 395 C CB . ASN A 1 53 ? 0.653 8.277 9.235 1.00 80.58 53 A 1 ATOM 396 C CG . ASN A 1 53 ? 1.070 7.858 7.838 1.00 80.80 53 A 1 ATOM 397 O OD1 . ASN A 1 53 ? 0.366 8.048 6.864 1.00 76.50 53 A 1 ATOM 398 N ND2 . ASN A 1 53 ? 2.241 7.283 7.716 1.00 76.69 53 A 1 ATOM 399 N N . LYS A 1 54 ? -0.112 11.153 8.691 1.00 82.63 54 A 1 ATOM 400 C CA . LYS A 1 54 ? -0.114 12.412 7.936 1.00 82.29 54 A 1 ATOM 401 C C . LYS A 1 54 ? 0.108 12.204 6.437 1.00 80.04 54 A 1 ATOM 402 O O . LYS A 1 54 ? -0.577 12.827 5.636 1.00 78.26 54 A 1 ATOM 403 C CB . LYS A 1 54 ? 0.958 13.335 8.526 1.00 82.82 54 A 1 ATOM 404 C CG . LYS A 1 54 ? 0.972 14.713 7.846 1.00 81.63 54 A 1 ATOM 405 C CD . LYS A 1 54 ? 2.057 15.600 8.458 1.00 80.82 54 A 1 ATOM 406 C CE . LYS A 1 54 ? 2.093 16.944 7.732 1.00 74.92 54 A 1 ATOM 407 N NZ . LYS A 1 54 ? 3.202 17.788 8.211 1.00 70.09 54 A 1 ATOM 408 N N . ALA A 1 55 ? 1.010 11.322 6.059 1.00 77.91 55 A 1 ATOM 409 C CA . ALA A 1 55 ? 1.304 11.025 4.659 1.00 74.46 55 A 1 ATOM 410 C C . ALA A 1 55 ? 0.097 10.453 3.889 1.00 74.60 55 A 1 ATOM 411 O O . ALA A 1 55 ? 0.042 10.529 2.669 1.00 73.15 55 A 1 ATOM 412 C CB . ALA A 1 55 ? 2.493 10.057 4.620 1.00 72.64 55 A 1 ATOM 413 N N . ASN A 1 56 ? -0.894 9.920 4.595 1.00 74.62 56 A 1 ATOM 414 C CA . ASN A 1 56 ? -2.143 9.391 4.059 1.00 74.83 56 A 1 ATOM 415 C C . ASN A 1 56 ? -3.369 10.250 4.428 1.00 77.63 56 A 1 ATOM 416 O O . ASN A 1 56 ? -4.477 9.727 4.565 1.00 77.66 56 A 1 ATOM 417 C CB . ASN A 1 56 ? -2.279 7.922 4.483 1.00 73.94 56 A 1 ATOM 418 C CG . ASN A 1 56 ? -1.242 7.056 3.797 1.00 70.19 56 A 1 ATOM 419 O OD1 . ASN A 1 56 ? -1.298 6.826 2.602 1.00 64.68 56 A 1 ATOM 420 N ND2 . ASN A 1 56 ? -0.288 6.548 4.534 1.00 64.04 56 A 1 ATOM 421 N N . ASP A 1 57 ? -3.163 11.548 4.623 1.00 77.77 57 A 1 ATOM 422 C CA . ASP A 1 57 ? -4.197 12.572 4.844 1.00 78.92 57 A 1 ATOM 423 C C . ASP A 1 57 ? -5.138 12.258 6.026 1.00 82.12 57 A 1 ATOM 424 O O . ASP A 1 57 ? -6.315 12.621 6.023 1.00 81.55 57 A 1 ATOM 425 C CB . ASP A 1 57 ? -4.968 12.874 3.543 1.00 77.51 57 A 1 ATOM 426 C CG . ASP A 1 57 ? -4.059 13.001 2.332 1.00 71.78 57 A 1 ATOM 427 O OD1 . ASP A 1 57 ? -2.965 13.593 2.454 1.00 66.96 57 A 1 ATOM 428 O OD2 . ASP A 1 57 ? -4.389 12.371 1.299 1.00 64.88 57 A 1 ATOM 429 N N . TYR A 1 58 ? -4.617 11.556 7.039 1.00 84.41 58 A 1 ATOM 430 C CA . TYR A 1 58 ? -5.376 11.183 8.233 1.00 87.49 58 A 1 ATOM 431 C C . TYR A 1 58 ? -6.689 10.428 7.956 1.00 88.51 58 A 1 ATOM 432 O O . TYR A 1 58 ? -7.615 10.446 8.770 1.00 87.52 58 A 1 ATOM 433 C CB . TYR A 1 58 ? -5.606 12.427 9.100 1.00 87.86 58 A 1 ATOM 434 C CG . TYR A 1 58 ? -4.370 13.272 9.319 1.00 87.06 58 A 1 ATOM 435 C CD1 . TYR A 1 58 ? -3.381 12.842 10.225 1.00 84.50 58 A 1 ATOM 436 C CD2 . TYR A 1 58 ? -4.197 14.488 8.632 1.00 85.32 58 A 1 ATOM 437 C CE1 . TYR A 1 58 ? -2.253 13.634 10.475 1.00 84.10 58 A 1 ATOM 438 C CE2 . TYR A 1 58 ? -3.072 15.291 8.877 1.00 83.67 58 A 1 ATOM 439 C CZ . TYR A 1 58 ? -2.113 14.863 9.812 1.00 86.08 58 A 1 ATOM 440 O OH . TYR A 1 58 ? -1.025 15.661 10.098 1.00 84.16 58 A 1 ATOM 441 N N . THR A 1 59 ? -6.777 9.769 6.805 1.00 85.71 59 A 1 ATOM 442 C CA . THR A 1 59 ? -7.970 9.005 6.430 1.00 85.32 59 A 1 ATOM 443 C C . THR A 1 59 ? -8.275 7.908 7.452 1.00 86.94 59 A 1 ATOM 444 O O . THR A 1 59 ? -7.382 7.379 8.113 1.00 87.09 59 A 1 ATOM 445 C CB . THR A 1 59 ? -7.865 8.410 5.022 1.00 82.71 59 A 1 ATOM 446 O OG1 . THR A 1 59 ? -6.653 7.722 4.843 1.00 76.97 59 A 1 ATOM 447 C CG2 . THR A 1 59 ? -7.946 9.480 3.953 1.00 74.67 59 A 1 ATOM 448 N N . THR A 1 60 ? -9.560 7.570 7.596 1.00 89.64 60 A 1 ATOM 449 C CA . THR A 1 60 ? -10.040 6.717 8.679 1.00 90.66 60 A 1 ATOM 450 C C . THR A 1 60 ? -10.765 5.485 8.163 1.00 89.57 60 A 1 ATOM 451 O O . THR A 1 60 ? -11.396 5.508 7.106 1.00 88.06 60 A 1 ATOM 452 C CB . THR A 1 60 ? -10.951 7.493 9.638 1.00 91.25 60 A 1 ATOM 453 O OG1 . THR A 1 60 ? -12.054 8.043 8.944 1.00 87.45 60 A 1 ATOM 454 C CG2 . THR A 1 60 ? -10.228 8.658 10.316 1.00 86.63 60 A 1 ATOM 455 N N . GLU A 1 61 ? -10.710 4.408 8.943 1.00 90.37 61 A 1 ATOM 456 C CA . GLU A 1 61 ? -11.435 3.159 8.696 1.00 90.68 61 A 1 ATOM 457 C C . GLU A 1 61 ? -12.169 2.719 9.967 1.00 92.80 61 A 1 ATOM 458 O O . GLU A 1 61 ? -11.737 3.007 11.076 1.00 92.72 61 A 1 ATOM 459 C CB . GLU A 1 61 ? -10.464 2.074 8.230 1.00 87.91 61 A 1 ATOM 460 C CG . GLU A 1 61 ? -9.798 2.362 6.875 1.00 81.68 61 A 1 ATOM 461 C CD . GLU A 1 61 ? -10.751 2.388 5.677 1.00 80.75 61 A 1 ATOM 462 O OE1 . GLU A 1 61 ? -10.323 2.880 4.611 1.00 73.50 61 A 1 ATOM 463 O OE2 . GLU A 1 61 ? -11.895 1.895 5.784 1.00 72.46 61 A 1 ATOM 464 N N . TYR A 1 62 ? -13.282 2.019 9.788 1.00 92.86 62 A 1 ATOM 465 C CA . TYR A 1 62 ? -14.139 1.590 10.882 1.00 94.18 62 A 1 ATOM 466 C C . TYR A 1 62 ? -14.646 0.155 10.669 1.00 93.32 62 A 1 ATOM 467 O O . TYR A 1 62 ? -14.969 -0.236 9.541 1.00 91.25 62 A 1 ATOM 468 C CB . TYR A 1 62 ? -15.344 2.525 11.020 1.00 94.98 62 A 1 ATOM 469 C CG . TYR A 1 62 ? -14.985 3.969 11.302 1.00 95.82 62 A 1 ATOM 470 C CD1 . TYR A 1 62 ? -14.754 4.404 12.612 1.00 94.43 62 A 1 ATOM 471 C CD2 . TYR A 1 62 ? -14.853 4.889 10.239 1.00 94.65 62 A 1 ATOM 472 C CE1 . TYR A 1 62 ? -14.407 5.733 12.875 1.00 94.69 62 A 1 ATOM 473 C CE2 . TYR A 1 62 ? -14.500 6.221 10.490 1.00 94.91 62 A 1 ATOM 474 C CZ . TYR A 1 62 ? -14.272 6.645 11.810 1.00 96.37 62 A 1 ATOM 475 O OH . TYR A 1 62 ? -13.924 7.944 12.061 1.00 96.27 62 A 1 ATOM 476 N N . SER A 1 63 ? -14.808 -0.585 11.767 1.00 95.33 63 A 1 ATOM 477 C CA . SER A 1 63 ? -15.557 -1.836 11.747 1.00 95.41 63 A 1 ATOM 478 C C . SER A 1 63 ? -17.055 -1.569 11.557 1.00 95.86 63 A 1 ATOM 479 O O . SER A 1 63 ? -17.571 -0.494 11.871 1.00 95.35 63 A 1 ATOM 480 C CB . SER A 1 63 ? -15.300 -2.647 13.027 1.00 94.76 63 A 1 ATOM 481 O OG . SER A 1 63 ? -15.975 -2.064 14.121 1.00 87.47 63 A 1 ATOM 482 N N . ALA A 1 64 ? -17.776 -2.574 11.062 1.00 94.41 64 A 1 ATOM 483 C CA . ALA A 1 64 ? -19.218 -2.469 10.858 1.00 94.58 64 A 1 ATOM 484 C C . ALA A 1 64 ? -19.986 -2.212 12.161 1.00 95.44 64 A 1 ATOM 485 O O . ALA A 1 64 ? -20.994 -1.502 12.145 1.00 94.52 64 A 1 ATOM 486 C CB . ALA A 1 64 ? -19.698 -3.747 10.166 1.00 92.92 64 A 1 ATOM 487 N N . SER A 1 65 ? -19.499 -2.717 13.300 1.00 95.31 65 A 1 ATOM 488 C CA . SER A 1 65 ? -20.148 -2.587 14.606 1.00 95.60 65 A 1 ATOM 489 C C . SER A 1 65 ? -20.199 -1.143 15.127 1.00 96.51 65 A 1 ATOM 490 O O . SER A 1 65 ? -21.114 -0.793 15.876 1.00 95.50 65 A 1 ATOM 491 C CB . SER A 1 65 ? -19.454 -3.493 15.632 1.00 94.06 65 A 1 ATOM 492 O OG . SER A 1 65 ? -18.085 -3.166 15.756 1.00 82.85 65 A 1 ATOM 493 N N . VAL A 1 66 ? -19.265 -0.279 14.693 1.00 96.44 66 A 1 ATOM 494 C CA . VAL A 1 66 ? -19.162 1.114 15.160 1.00 97.14 66 A 1 ATOM 495 C C . VAL A 1 66 ? -19.362 2.154 14.064 1.00 97.59 66 A 1 ATOM 496 O O . VAL A 1 66 ? -19.562 3.341 14.370 1.00 96.86 66 A 1 ATOM 497 C CB . VAL A 1 66 ? -17.842 1.364 15.909 1.00 96.68 66 A 1 ATOM 498 C CG1 . VAL A 1 66 ? -17.674 0.375 17.067 1.00 94.17 66 A 1 ATOM 499 C CG2 . VAL A 1 66 ? -16.616 1.290 15.001 1.00 93.61 66 A 1 ATOM 500 N N . LYS A 1 67 ? -19.342 1.758 12.794 1.00 95.70 67 A 1 ATOM 501 C CA . LYS A 1 67 ? -19.468 2.662 11.651 1.00 95.40 67 A 1 ATOM 502 C C . LYS A 1 67 ? -20.748 3.488 11.722 1.00 95.56 67 A 1 ATOM 503 O O . LYS A 1 67 ? -21.832 2.958 11.940 1.00 93.80 67 A 1 ATOM 504 C CB . LYS A 1 67 ? -19.360 1.859 10.348 1.00 93.74 67 A 1 ATOM 505 C CG . LYS A 1 67 ? -19.258 2.770 9.123 1.00 88.78 67 A 1 ATOM 506 C CD . LYS A 1 67 ? -18.976 1.937 7.851 1.00 83.98 67 A 1 ATOM 507 C CE . LYS A 1 67 ? -18.785 2.858 6.651 1.00 74.07 67 A 1 ATOM 508 N NZ . LYS A 1 67 ? -18.352 2.109 5.450 1.00 65.01 67 A 1 ATOM 509 N N . GLY A 1 68 ? -20.625 4.805 11.535 1.00 95.65 68 A 1 ATOM 510 C CA . GLY A 1 68 ? -21.724 5.764 11.640 1.00 95.97 68 A 1 ATOM 511 C C . GLY A 1 68 ? -22.061 6.220 13.061 1.00 96.86 68 A 1 ATOM 512 O O . GLY A 1 68 ? -22.819 7.172 13.218 1.00 95.05 68 A 1 ATOM 513 N N . ARG A 1 69 ? -21.510 5.579 14.100 1.00 97.69 69 A 1 ATOM 514 C CA . ARG A 1 69 ? -21.678 5.979 15.505 1.00 97.94 69 A 1 ATOM 515 C C . ARG A 1 69 ? -20.398 6.542 16.108 1.00 98.11 69 A 1 ATOM 516 O O . ARG A 1 69 ? -20.458 7.478 16.903 1.00 97.80 69 A 1 ATOM 517 C CB . ARG A 1 69 ? -22.169 4.794 16.347 1.00 97.38 69 A 1 ATOM 518 C CG . ARG A 1 69 ? -23.515 4.219 15.869 1.00 96.60 69 A 1 ATOM 519 C CD . ARG A 1 69 ? -24.093 3.199 16.860 1.00 96.37 69 A 1 ATOM 520 N NE . ARG A 1 69 ? -23.182 2.063 17.108 1.00 95.33 69 A 1 ATOM 521 C CZ . ARG A 1 69 ? -22.631 1.700 18.267 1.00 96.77 69 A 1 ATOM 522 N NH1 . ARG A 1 69 ? -22.826 2.349 19.373 1.00 89.45 69 A 1 ATOM 523 N NH2 . ARG A 1 69 ? -21.871 0.667 18.343 1.00 92.18 69 A 1 ATOM 524 N N . PHE A 1 70 ? -19.264 5.965 15.755 1.00 97.96 70 A 1 ATOM 525 C CA . PHE A 1 70 ? -17.971 6.376 16.286 1.00 98.10 70 A 1 ATOM 526 C C . PHE A 1 70 ? -17.200 7.167 15.237 1.00 98.00 70 A 1 ATOM 527 O O . PHE A 1 70 ? -17.334 6.935 14.041 1.00 97.01 70 A 1 ATOM 528 C CB . PHE A 1 70 ? -17.176 5.162 16.782 1.00 98.13 70 A 1 ATOM 529 C CG . PHE A 1 70 ? -17.708 4.423 17.998 1.00 98.30 70 A 1 ATOM 530 C CD1 . PHE A 1 70 ? -18.999 4.630 18.532 1.00 96.86 70 A 1 ATOM 531 C CD2 . PHE A 1 70 ? -16.878 3.473 18.616 1.00 96.89 70 A 1 ATOM 532 C CE1 . PHE A 1 70 ? -19.452 3.899 19.640 1.00 96.62 70 A 1 ATOM 533 C CE2 . PHE A 1 70 ? -17.334 2.731 19.730 1.00 96.40 70 A 1 ATOM 534 C CZ . PHE A 1 70 ? -18.620 2.946 20.229 1.00 97.49 70 A 1 ATOM 535 N N . ILE A 1 71 ? -16.394 8.134 15.709 1.00 98.10 71 A 1 ATOM 536 C CA . ILE A 1 71 ? -15.534 8.980 14.886 1.00 98.01 71 A 1 ATOM 537 C C . ILE A 1 71 ? -14.144 8.980 15.505 1.00 98.12 71 A 1 ATOM 538 O O . ILE A 1 71 ? -13.948 9.504 16.605 1.00 97.74 71 A 1 ATOM 539 C CB . ILE A 1 71 ? -16.106 10.413 14.752 1.00 97.45 71 A 1 ATOM 540 C CG1 . ILE A 1 71 ? -17.554 10.404 14.198 1.00 93.11 71 A 1 ATOM 541 C CG2 . ILE A 1 71 ? -15.191 11.257 13.845 1.00 92.41 71 A 1 ATOM 542 C CD1 . ILE A 1 71 ? -18.243 11.779 14.217 1.00 79.51 71 A 1 ATOM 543 N N . VAL A 1 72 ? -13.180 8.398 14.797 1.00 97.73 72 A 1 ATOM 544 C CA . VAL A 1 72 ? -11.772 8.511 15.162 1.00 97.37 72 A 1 ATOM 545 C C . VAL A 1 72 ? -11.188 9.786 14.555 1.00 97.28 72 A 1 ATOM 546 O O . VAL A 1 72 ? -11.489 10.153 13.413 1.00 95.67 72 A 1 ATOM 547 C CB . VAL A 1 72 ? -10.985 7.231 14.815 1.00 95.37 72 A 1 ATOM 548 C CG1 . VAL A 1 72 ? -10.838 6.976 13.323 1.00 84.09 72 A 1 ATOM 549 C CG2 . VAL A 1 72 ? -9.583 7.259 15.425 1.00 84.00 72 A 1 ATOM 550 N N . SER A 1 73 ? -10.380 10.495 15.335 1.00 97.38 73 A 1 ATOM 551 C CA . SER A 1 73 ? -9.636 11.672 14.893 1.00 97.17 73 A 1 ATOM 552 C C . SER A 1 73 ? -8.296 11.739 15.622 1.00 97.31 73 A 1 ATOM 553 O O . SER A 1 73 ? -8.096 11.039 16.618 1.00 96.86 73 A 1 ATOM 554 C CB . SER A 1 73 ? -10.456 12.949 15.124 1.00 96.59 73 A 1 ATOM 555 O OG . SER A 1 73 ? -10.764 13.125 16.496 1.00 93.84 73 A 1 ATOM 556 N N . ARG A 1 74 ? -7.392 12.570 15.123 1.00 97.08 74 A 1 ATOM 557 C CA . ARG A 1 74 ? -6.082 12.797 15.752 1.00 96.63 74 A 1 ATOM 558 C C . ARG A 1 74 ? -5.674 14.257 15.671 1.00 96.85 74 A 1 ATOM 559 O O . ARG A 1 74 ? -6.125 14.974 14.784 1.00 95.21 74 A 1 ATOM 560 C CB . ARG A 1 74 ? -5.037 11.853 15.131 1.00 93.70 74 A 1 ATOM 561 C CG . ARG A 1 74 ? -4.802 12.107 13.624 1.00 87.86 74 A 1 ATOM 562 C CD . ARG A 1 74 ? -3.942 11.005 13.000 1.00 89.06 74 A 1 ATOM 563 N NE . ARG A 1 74 ? -2.559 11.054 13.475 1.00 86.13 74 A 1 ATOM 564 C CZ . ARG A 1 74 ? -1.669 10.079 13.405 1.00 88.26 74 A 1 ATOM 565 N NH1 . ARG A 1 74 ? -1.950 8.910 12.907 1.00 78.12 74 A 1 ATOM 566 N NH2 . ARG A 1 74 ? -0.465 10.277 13.832 1.00 79.00 74 A 1 ATOM 567 N N . ASP A 1 75 ? -4.835 14.681 16.605 1.00 96.31 75 A 1 ATOM 568 C CA . ASP A 1 75 ? -4.184 15.981 16.624 1.00 96.68 75 A 1 ATOM 569 C C . ASP A 1 75 ? -2.689 15.751 16.807 1.00 96.68 75 A 1 ATOM 570 O O . ASP A 1 75 ? -2.212 15.504 17.915 1.00 95.77 75 A 1 ATOM 571 C CB . ASP A 1 75 ? -4.806 16.858 17.721 1.00 96.38 75 A 1 ATOM 572 C CG . ASP A 1 75 ? -4.267 18.292 17.767 1.00 95.30 75 A 1 ATOM 573 O OD1 . ASP A 1 75 ? -3.216 18.572 17.155 1.00 92.15 75 A 1 ATOM 574 O OD2 . ASP A 1 75 ? -4.900 19.126 18.461 1.00 90.93 75 A 1 ATOM 575 N N . ASP A 1 76 ? -1.949 15.790 15.698 1.00 95.38 76 A 1 ATOM 576 C CA . ASP A 1 76 ? -0.502 15.545 15.685 1.00 94.68 76 A 1 ATOM 577 C C . ASP A 1 76 ? 0.261 16.618 16.470 1.00 95.33 76 A 1 ATOM 578 O O . ASP A 1 76 ? 1.305 16.326 17.039 1.00 94.26 76 A 1 ATOM 579 C CB . ASP A 1 76 ? 0.002 15.439 14.236 1.00 92.76 76 A 1 ATOM 580 C CG . ASP A 1 76 ? -0.351 14.124 13.528 1.00 89.77 76 A 1 ATOM 581 O OD1 . ASP A 1 76 ? -0.981 13.225 14.131 1.00 86.09 76 A 1 ATOM 582 O OD2 . ASP A 1 76 ? 0.048 13.958 12.353 1.00 85.30 76 A 1 ATOM 583 N N . SER A 1 77 ? -0.274 17.844 16.577 1.00 95.67 77 A 1 ATOM 584 C CA . SER A 1 77 ? 0.340 18.912 17.378 1.00 95.73 77 A 1 ATOM 585 C C . SER A 1 77 ? 0.312 18.624 18.882 1.00 96.25 77 A 1 ATOM 586 O O . SER A 1 77 ? 1.137 19.136 19.638 1.00 95.05 77 A 1 ATOM 587 C CB . SER A 1 77 ? -0.333 20.257 17.079 1.00 95.47 77 A 1 ATOM 588 O OG . SER A 1 77 ? -1.586 20.395 17.713 1.00 89.66 77 A 1 ATOM 589 N N . LYS A 1 78 ? -0.629 17.785 19.320 1.00 96.14 78 A 1 ATOM 590 C CA . LYS A 1 78 ? -0.793 17.350 20.710 1.00 96.55 78 A 1 ATOM 591 C C . LYS A 1 78 ? -0.423 15.881 20.929 1.00 96.98 78 A 1 ATOM 592 O O . LYS A 1 78 ? -0.687 15.366 22.016 1.00 95.78 78 A 1 ATOM 593 C CB . LYS A 1 78 ? -2.237 17.617 21.165 1.00 96.01 78 A 1 ATOM 594 C CG . LYS A 1 78 ? -2.571 19.107 21.154 1.00 92.93 78 A 1 ATOM 595 C CD . LYS A 1 78 ? -4.016 19.293 21.618 1.00 88.52 78 A 1 ATOM 596 C CE . LYS A 1 78 ? -4.430 20.739 21.366 1.00 80.63 78 A 1 ATOM 597 N NZ . LYS A 1 78 ? -5.875 20.805 21.079 1.00 71.55 78 A 1 ATOM 598 N N . ASN A 1 79 ? 0.120 15.211 19.916 1.00 96.81 79 A 1 ATOM 599 C CA . ASN A 1 79 ? 0.399 13.776 19.938 1.00 97.25 79 A 1 ATOM 600 C C . ASN A 1 79 ? -0.774 12.959 20.502 1.00 97.73 79 A 1 ATOM 601 O O . ASN A 1 79 ? -0.603 12.114 21.375 1.00 96.83 79 A 1 ATOM 602 C CB . ASN A 1 79 ? 1.728 13.536 20.669 1.00 96.44 79 A 1 ATOM 603 C CG . ASN A 1 79 ? 2.913 14.129 19.936 1.00 93.61 79 A 1 ATOM 604 O OD1 . ASN A 1 79 ? 3.002 14.125 18.728 1.00 83.44 79 A 1 ATOM 605 N ND2 . ASN A 1 79 ? 3.882 14.637 20.663 1.00 82.00 79 A 1 ATOM 606 N N . SER A 1 80 ? -2.004 13.264 20.053 1.00 97.77 80 A 1 ATOM 607 C CA . SER A 1 80 ? -3.211 12.719 20.661 1.00 97.83 80 A 1 ATOM 608 C C . SER A 1 80 ? -4.140 12.098 19.628 1.00 97.88 80 A 1 ATOM 609 O O . SER A 1 80 ? -4.470 12.706 18.608 1.00 97.00 80 A 1 ATOM 610 C CB . SER A 1 80 ? -3.931 13.791 21.471 1.00 97.51 80 A 1 ATOM 611 O OG . SER A 1 80 ? -3.149 14.193 22.582 1.00 91.26 80 A 1 ATOM 612 N N . LEU A 1 81 ? -4.603 10.889 19.914 1.00 97.99 81 A 1 ATOM 613 C CA . LEU A 1 81 ? -5.671 10.194 19.208 1.00 97.97 81 A 1 ATOM 614 C C . LEU A 1 81 ? -6.967 10.328 20.011 1.00 98.27 81 A 1 ATOM 615 O O . LEU A 1 81 ? -6.946 10.270 21.237 1.00 97.97 81 A 1 ATOM 616 C CB . LEU A 1 81 ? -5.262 8.725 19.033 1.00 97.37 81 A 1 ATOM 617 C CG . LEU A 1 81 ? -6.254 7.854 18.251 1.00 96.56 81 A 1 ATOM 618 C CD1 . LEU A 1 81 ? -6.182 8.150 16.760 1.00 93.71 81 A 1 ATOM 619 C CD2 . LEU A 1 81 ? -5.917 6.376 18.466 1.00 94.01 81 A 1 ATOM 620 N N . TYR A 1 82 ? -8.092 10.476 19.318 1.00 98.19 82 A 1 ATOM 621 C CA . TYR A 1 82 ? -9.411 10.566 19.928 1.00 98.28 82 A 1 ATOM 622 C C . TYR A 1 82 ? -10.372 9.548 19.326 1.00 98.24 82 A 1 ATOM 623 O O . TYR A 1 82 ? -10.304 9.236 18.144 1.00 97.87 82 A 1 ATOM 624 C CB . TYR A 1 82 ? -9.963 11.985 19.777 1.00 98.12 82 A 1 ATOM 625 C CG . TYR A 1 82 ? -9.027 13.074 20.252 1.00 98.04 82 A 1 ATOM 626 C CD1 . TYR A 1 82 ? -8.822 13.286 21.627 1.00 96.07 82 A 1 ATOM 627 C CD2 . TYR A 1 82 ? -8.341 13.875 19.317 1.00 96.00 82 A 1 ATOM 628 C CE1 . TYR A 1 82 ? -7.952 14.291 22.079 1.00 95.34 82 A 1 ATOM 629 C CE2 . TYR A 1 82 ? -7.464 14.879 19.754 1.00 95.21 82 A 1 ATOM 630 C CZ . TYR A 1 82 ? -7.274 15.092 21.135 1.00 96.66 82 A 1 ATOM 631 O OH . TYR A 1 82 ? -6.429 16.083 21.566 1.00 95.51 82 A 1 ATOM 632 N N . LEU A 1 83 ? -11.335 9.103 20.138 1.00 98.24 83 A 1 ATOM 633 C CA . LEU A 1 83 ? -12.488 8.327 19.705 1.00 98.33 83 A 1 ATOM 634 C C . LEU A 1 83 ? -13.750 8.967 20.274 1.00 98.42 83 A 1 ATOM 635 O O . LEU A 1 83 ? -14.044 8.834 21.461 1.00 98.07 83 A 1 ATOM 636 C CB . LEU A 1 83 ? -12.317 6.867 20.144 1.00 98.28 83 A 1 ATOM 637 C CG . LEU A 1 83 ? -13.408 5.929 19.603 1.00 97.97 83 A 1 ATOM 638 C CD1 . LEU A 1 83 ? -13.285 5.735 18.084 1.00 96.38 83 A 1 ATOM 639 C CD2 . LEU A 1 83 ? -13.274 4.559 20.275 1.00 96.24 83 A 1 ATOM 640 N N . GLN A 1 84 ? -14.490 9.686 19.435 1.00 98.39 84 A 1 ATOM 641 C CA . GLN A 1 84 ? -15.826 10.162 19.772 1.00 98.33 84 A 1 ATOM 642 C C . GLN A 1 84 ? -16.814 9.017 19.569 1.00 98.35 84 A 1 ATOM 643 O O . GLN A 1 84 ? -17.012 8.564 18.450 1.00 98.01 84 A 1 ATOM 644 C CB . GLN A 1 84 ? -16.171 11.389 18.910 1.00 98.10 84 A 1 ATOM 645 C CG . GLN A 1 84 ? -17.559 11.970 19.230 1.00 96.15 84 A 1 ATOM 646 C CD . GLN A 1 84 ? -17.640 12.502 20.663 1.00 95.85 84 A 1 ATOM 647 O OE1 . GLN A 1 84 ? -16.778 13.230 21.136 1.00 89.38 84 A 1 ATOM 648 N NE2 . GLN A 1 84 ? -18.670 12.155 21.403 1.00 86.66 84 A 1 ATOM 649 N N . MET A 1 85 ? -17.425 8.571 20.647 1.00 98.36 85 A 1 ATOM 650 C CA . MET A 1 85 ? -18.432 7.518 20.639 1.00 98.27 85 A 1 ATOM 651 C C . MET A 1 85 ? -19.806 8.140 20.865 1.00 98.30 85 A 1 ATOM 652 O O . MET A 1 85 ? -20.031 8.777 21.895 1.00 97.64 85 A 1 ATOM 653 C CB . MET A 1 85 ? -18.112 6.486 21.719 1.00 97.87 85 A 1 ATOM 654 C CG . MET A 1 85 ? -16.711 5.875 21.583 1.00 96.74 85 A 1 ATOM 655 S SD . MET A 1 85 ? -16.359 4.557 22.770 1.00 95.59 85 A 1 ATOM 656 C CE . MET A 1 85 ? -16.421 5.478 24.312 1.00 87.54 85 A 1 ATOM 657 N N . ASN A 1 86 ? -20.721 7.963 19.914 1.00 97.92 86 A 1 ATOM 658 C CA . ASN A 1 86 ? -22.097 8.442 19.980 1.00 97.83 86 A 1 ATOM 659 C C . ASN A 1 86 ? -23.070 7.261 19.942 1.00 97.87 86 A 1 ATOM 660 O O . ASN A 1 86 ? -22.735 6.190 19.443 1.00 96.73 86 A 1 ATOM 661 C CB . ASN A 1 86 ? -22.357 9.421 18.821 1.00 97.29 86 A 1 ATOM 662 C CG . ASN A 1 86 ? -21.444 10.621 18.828 1.00 96.72 86 A 1 ATOM 663 O OD1 . ASN A 1 86 ? -21.186 11.249 19.840 1.00 90.03 86 A 1 ATOM 664 N ND2 . ASN A 1 86 ? -20.916 10.999 17.679 1.00 88.20 86 A 1 ATOM 665 N N . SER A 1 87 ? -24.303 7.482 20.419 1.00 97.97 87 A 1 ATOM 666 C CA . SER A 1 87 ? -25.365 6.466 20.413 1.00 97.82 87 A 1 ATOM 667 C C . SER A 1 87 ? -24.895 5.135 21.024 1.00 97.98 87 A 1 ATOM 668 O O . SER A 1 87 ? -25.057 4.067 20.427 1.00 96.58 87 A 1 ATOM 669 C CB . SER A 1 87 ? -25.924 6.285 18.998 1.00 97.18 87 A 1 ATOM 670 O OG . SER A 1 87 ? -26.348 7.529 18.463 1.00 91.48 87 A 1 ATOM 671 N N . LEU A 1 88 ? -24.254 5.231 22.192 1.00 97.86 88 A 1 ATOM 672 C CA . LEU A 1 88 ? -23.680 4.092 22.888 1.00 98.02 88 A 1 ATOM 673 C C . LEU A 1 88 ? -24.744 3.060 23.252 1.00 97.95 88 A 1 ATOM 674 O O . LEU A 1 88 ? -25.866 3.387 23.633 1.00 97.05 88 A 1 ATOM 675 C CB . LEU A 1 88 ? -22.902 4.578 24.124 1.00 97.86 88 A 1 ATOM 676 C CG . LEU A 1 88 ? -21.520 5.157 23.779 1.00 97.41 88 A 1 ATOM 677 C CD1 . LEU A 1 88 ? -20.940 5.918 24.966 1.00 95.74 88 A 1 ATOM 678 C CD2 . LEU A 1 88 ? -20.524 4.052 23.410 1.00 95.49 88 A 1 ATOM 679 N N . LYS A 1 89 ? -24.370 1.792 23.147 1.00 97.78 89 A 1 ATOM 680 C CA . LYS A 1 89 ? -25.199 0.633 23.474 1.00 97.49 89 A 1 ATOM 681 C C . LYS A 1 89 ? -24.539 -0.166 24.593 1.00 97.66 89 A 1 ATOM 682 O O . LYS A 1 89 ? -23.328 -0.083 24.773 1.00 96.95 89 A 1 ATOM 683 C CB . LYS A 1 89 ? -25.371 -0.253 22.233 1.00 96.13 89 A 1 ATOM 684 C CG . LYS A 1 89 ? -25.997 0.469 21.038 1.00 92.73 89 A 1 ATOM 685 C CD . LYS A 1 89 ? -26.073 -0.528 19.879 1.00 90.88 89 A 1 ATOM 686 C CE . LYS A 1 89 ? -26.654 0.100 18.616 1.00 82.09 89 A 1 ATOM 687 N NZ . LYS A 1 89 ? -26.706 -0.932 17.549 1.00 75.32 89 A 1 ATOM 688 N N . THR A 1 90 ? -25.309 -0.997 25.274 1.00 97.34 90 A 1 ATOM 689 C CA . THR A 1 90 ? -24.764 -1.908 26.297 1.00 97.19 90 A 1 ATOM 690 C C . THR A 1 90 ? -23.671 -2.827 25.738 1.00 97.39 90 A 1 ATOM 691 O O . THR A 1 90 ? -22.695 -3.108 26.422 1.00 96.37 90 A 1 ATOM 692 C CB . THR A 1 90 ? -25.880 -2.760 26.897 1.00 96.01 90 A 1 ATOM 693 O OG1 . THR A 1 90 ? -26.676 -3.300 25.859 1.00 83.93 90 A 1 ATOM 694 C CG2 . THR A 1 90 ? -26.816 -1.919 27.779 1.00 81.37 90 A 1 ATOM 695 N N . GLU A 1 91 ? -23.786 -3.201 24.460 1.00 97.06 91 A 1 ATOM 696 C CA . GLU A 1 91 ? -22.795 -3.990 23.709 1.00 96.63 91 A 1 ATOM 697 C C . GLU A 1 91 ? -21.437 -3.284 23.535 1.00 97.18 91 A 1 ATOM 698 O O . GLU A 1 91 ? -20.437 -3.941 23.277 1.00 96.15 91 A 1 ATOM 699 C CB . GLU A 1 91 ? -23.365 -4.276 22.308 1.00 94.63 91 A 1 ATOM 700 C CG . GLU A 1 91 ? -24.668 -5.083 22.287 1.00 84.89 91 A 1 ATOM 701 C CD . GLU A 1 91 ? -25.571 -4.719 21.092 1.00 79.83 91 A 1 ATOM 702 O OE1 . GLU A 1 91 ? -26.805 -4.873 21.234 1.00 72.28 91 A 1 ATOM 703 O OE2 . GLU A 1 91 ? -25.069 -4.192 20.075 1.00 73.92 91 A 1 ATOM 704 N N . ASP A 1 92 ? -21.397 -1.960 23.690 1.00 97.41 92 A 1 ATOM 705 C CA . ASP A 1 92 ? -20.157 -1.188 23.616 1.00 97.96 92 A 1 ATOM 706 C C . ASP A 1 92 ? -19.380 -1.188 24.951 1.00 98.17 92 A 1 ATOM 707 O O . ASP A 1 92 ? -18.297 -0.604 25.035 1.00 97.67 92 A 1 ATOM 708 C CB . ASP A 1 92 ? -20.450 0.255 23.150 1.00 97.86 92 A 1 ATOM 709 C CG . ASP A 1 92 ? -21.131 0.372 21.770 1.00 97.75 92 A 1 ATOM 710 O OD1 . ASP A 1 92 ? -20.672 -0.220 20.777 1.00 95.27 92 A 1 ATOM 711 O OD2 . ASP A 1 92 ? -22.105 1.157 21.641 1.00 95.55 92 A 1 ATOM 712 N N . THR A 1 93 ? -19.895 -1.829 25.990 1.00 98.29 93 A 1 ATOM 713 C CA . THR A 1 93 ? -19.186 -2.009 27.267 1.00 98.21 93 A 1 ATOM 714 C C . THR A 1 93 ? -17.930 -2.846 27.053 1.00 98.19 93 A 1 ATOM 715 O O . THR A 1 93 ? -18.013 -4.031 26.722 1.00 97.33 93 A 1 ATOM 716 C CB . THR A 1 93 ? -20.085 -2.678 28.316 1.00 97.85 93 A 1 ATOM 717 O OG1 . THR A 1 93 ? -21.180 -1.841 28.609 1.00 94.56 93 A 1 ATOM 718 C CG2 . THR A 1 93 ? -19.363 -2.935 29.647 1.00 94.50 93 A 1 ATOM 719 N N . ALA A 1 94 ? -16.765 -2.238 27.239 1.00 98.22 94 A 1 ATOM 720 C CA . ALA A 1 94 ? -15.477 -2.869 26.998 1.00 98.21 94 A 1 ATOM 721 C C . ALA A 1 94 ? -14.323 -2.083 27.631 1.00 98.27 94 A 1 ATOM 722 O O . ALA A 1 94 ? -14.459 -0.899 27.962 1.00 97.79 94 A 1 ATOM 723 C CB . ALA A 1 94 ? -15.274 -2.979 25.475 1.00 97.70 94 A 1 ATOM 724 N N . VAL A 1 95 ? -13.166 -2.721 27.733 1.00 98.12 95 A 1 ATOM 725 C CA . VAL A 1 95 ? -11.891 -2.006 27.814 1.00 98.28 95 A 1 ATOM 726 C C . VAL A 1 95 ? -11.510 -1.575 26.396 1.00 98.32 95 A 1 ATOM 727 O O . VAL A 1 95 ? -11.518 -2.396 25.486 1.00 97.99 95 A 1 ATOM 728 C CB . VAL A 1 95 ? -10.783 -2.869 28.443 1.00 97.79 95 A 1 ATOM 729 C CG1 . VAL A 1 95 ? -9.487 -2.071 28.583 1.00 95.46 95 A 1 ATOM 730 C CG2 . VAL A 1 95 ? -11.188 -3.359 29.836 1.00 95.45 95 A 1 ATOM 731 N N . TYR A 1 96 ? -11.194 -0.300 26.213 1.00 98.38 96 A 1 ATOM 732 C CA . TYR A 1 96 ? -10.755 0.276 24.953 1.00 98.52 96 A 1 ATOM 733 C C . TYR A 1 96 ? -9.257 0.540 25.012 1.00 98.46 96 A 1 ATOM 734 O O . TYR A 1 96 ? -8.800 1.285 25.879 1.00 98.04 96 A 1 ATOM 735 C CB . TYR A 1 96 ? -11.523 1.574 24.664 1.00 98.54 96 A 1 ATOM 736 C CG . TYR A 1 96 ? -12.954 1.342 24.241 1.00 98.62 96 A 1 ATOM 737 C CD1 . TYR A 1 96 ? -13.320 1.472 22.886 1.00 97.75 96 A 1 ATOM 738 C CD2 . TYR A 1 96 ? -13.927 0.963 25.186 1.00 97.85 96 A 1 ATOM 739 C CE1 . TYR A 1 96 ? -14.639 1.226 22.473 1.00 97.89 96 A 1 ATOM 740 C CE2 . TYR A 1 96 ? -15.240 0.701 24.782 1.00 97.67 96 A 1 ATOM 741 C CZ . TYR A 1 96 ? -15.598 0.830 23.420 1.00 98.40 96 A 1 ATOM 742 O OH . TYR A 1 96 ? -16.874 0.550 23.025 1.00 98.04 96 A 1 ATOM 743 N N . TYR A 1 97 ? -8.510 -0.058 24.088 1.00 98.44 97 A 1 ATOM 744 C CA . TYR A 1 97 ? -7.078 0.100 23.930 1.00 98.48 97 A 1 ATOM 745 C C . TYR A 1 97 ? -6.777 0.989 22.726 1.00 98.40 97 A 1 ATOM 746 O O . TYR A 1 97 ? -7.349 0.819 21.653 1.00 98.17 97 A 1 ATOM 747 C CB . TYR A 1 97 ? -6.411 -1.264 23.751 1.00 98.37 97 A 1 ATOM 748 C CG . TYR A 1 97 ? -6.596 -2.199 24.926 1.00 98.38 97 A 1 ATOM 749 C CD1 . TYR A 1 97 ? -5.795 -2.053 26.069 1.00 97.54 97 A 1 ATOM 750 C CD2 . TYR A 1 97 ? -7.557 -3.229 24.881 1.00 97.55 97 A 1 ATOM 751 C CE1 . TYR A 1 97 ? -5.949 -2.925 27.160 1.00 97.34 97 A 1 ATOM 752 C CE2 . TYR A 1 97 ? -7.719 -4.102 25.967 1.00 97.25 97 A 1 ATOM 753 C CZ . TYR A 1 97 ? -6.910 -3.945 27.107 1.00 97.76 97 A 1 ATOM 754 O OH . TYR A 1 97 ? -7.063 -4.797 28.174 1.00 96.95 97 A 1 ATOM 755 N N . CYS A 1 98 ? -5.840 1.895 22.917 1.00 98.09 98 A 1 ATOM 756 C CA . CYS A 1 98 ? -5.146 2.585 21.848 1.00 97.69 98 A 1 ATOM 757 C C . CYS A 1 98 ? -3.879 1.795 21.512 1.00 97.81 98 A 1 ATOM 758 O O . CYS A 1 98 ? -3.146 1.395 22.411 1.00 96.64 98 A 1 ATOM 759 C CB . CYS A 1 98 ? -4.839 4.000 22.344 1.00 94.82 98 A 1 ATOM 760 S SG . CYS A 1 98 ? -3.776 4.998 21.291 1.00 87.34 98 A 1 ATOM 761 N N . ALA A 1 99 ? -3.606 1.582 20.227 1.00 97.19 99 A 1 ATOM 762 C CA . ALA A 1 99 ? -2.380 0.960 19.780 1.00 96.69 99 A 1 ATOM 763 C C . ALA A 1 99 ? -1.790 1.726 18.592 1.00 96.03 99 A 1 ATOM 764 O O . ALA A 1 99 ? -2.520 2.363 17.829 1.00 94.78 99 A 1 ATOM 765 C CB . ALA A 1 99 ? -2.651 -0.508 19.446 1.00 96.18 99 A 1 ATOM 766 N N . ARG A 1 100 ? -0.476 1.666 18.410 1.00 94.40 100 A 1 ATOM 767 C CA . ARG A 1 100 ? 0.156 2.170 17.194 1.00 92.98 100 A 1 ATOM 768 C C . ARG A 1 100 ? 0.549 1.029 16.270 1.00 92.44 100 A 1 ATOM 769 O O . ARG A 1 100 ? 0.916 -0.054 16.726 1.00 90.85 100 A 1 ATOM 770 C CB . ARG A 1 100 ? 1.327 3.126 17.513 1.00 89.89 100 A 1 ATOM 771 C CG . ARG A 1 100 ? 2.601 2.392 17.912 1.00 86.56 100 A 1 ATOM 772 C CD . ARG A 1 100 ? 3.799 3.336 18.039 1.00 85.37 100 A 1 ATOM 773 N NE . ARG A 1 100 ? 4.999 2.521 18.007 1.00 83.53 100 A 1 ATOM 774 C CZ . ARG A 1 100 ? 6.260 2.894 17.973 1.00 83.06 100 A 1 ATOM 775 N NH1 . ARG A 1 100 ? 6.625 4.138 18.098 1.00 77.18 100 A 1 ATOM 776 N NH2 . ARG A 1 100 ? 7.162 1.987 17.788 1.00 77.45 100 A 1 ATOM 777 N N . SER A 1 101 ? 0.559 1.307 14.963 1.00 88.45 101 A 1 ATOM 778 C CA . SER A 1 101 ? 1.200 0.476 13.960 1.00 85.06 101 A 1 ATOM 779 C C . SER A 1 101 ? 2.140 1.327 13.116 1.00 81.29 101 A 1 ATOM 780 O O . SER A 1 101 ? 1.833 2.465 12.773 1.00 73.74 101 A 1 ATOM 781 C CB . SER A 1 101 ? 0.156 -0.277 13.120 1.00 81.83 101 A 1 ATOM 782 O OG . SER A 1 101 ? -0.769 0.583 12.494 1.00 75.57 101 A 1 ATOM 783 N N . TYR A 1 102 ? 3.343 0.814 12.818 1.00 71.17 102 A 1 ATOM 784 C CA . TYR A 1 102 ? 4.264 1.492 11.903 1.00 66.63 102 A 1 ATOM 785 C C . TYR A 1 102 ? 3.850 1.148 10.482 1.00 66.19 102 A 1 ATOM 786 O O . TYR A 1 102 ? 4.033 0.010 10.056 1.00 60.12 102 A 1 ATOM 787 C CB . TYR A 1 102 ? 5.702 1.072 12.173 1.00 60.42 102 A 1 ATOM 788 C CG . TYR A 1 102 ? 6.682 1.725 11.226 1.00 54.45 102 A 1 ATOM 789 C CD1 . TYR A 1 102 ? 7.359 0.963 10.248 1.00 48.87 102 A 1 ATOM 790 C CD2 . TYR A 1 102 ? 6.900 3.119 11.270 1.00 47.23 102 A 1 ATOM 791 C CE1 . TYR A 1 102 ? 8.236 1.583 9.354 1.00 42.64 102 A 1 ATOM 792 C CE2 . TYR A 1 102 ? 7.773 3.744 10.372 1.00 41.97 102 A 1 ATOM 793 C CZ . TYR A 1 102 ? 8.448 2.975 9.415 1.00 42.14 102 A 1 ATOM 794 O OH . TYR A 1 102 ? 9.304 3.592 8.545 1.00 37.34 102 A 1 ATOM 795 N N . TYR A 1 103 ? 3.252 2.121 9.788 1.00 62.30 103 A 1 ATOM 796 C CA . TYR A 1 103 ? 2.493 1.801 8.587 1.00 59.41 103 A 1 ATOM 797 C C . TYR A 1 103 ? 1.542 0.631 8.836 1.00 59.99 103 A 1 ATOM 798 O O . TYR A 1 103 ? 1.401 0.131 9.957 1.00 54.88 103 A 1 ATOM 799 C CB . TYR A 1 103 ? 3.437 1.614 7.382 1.00 53.43 103 A 1 ATOM 800 C CG . TYR A 1 103 ? 4.141 2.883 6.980 1.00 50.85 103 A 1 ATOM 801 C CD1 . TYR A 1 103 ? 3.563 3.715 6.004 1.00 47.22 103 A 1 ATOM 802 C CD2 . TYR A 1 103 ? 5.366 3.257 7.569 1.00 46.51 103 A 1 ATOM 803 C CE1 . TYR A 1 103 ? 4.190 4.904 5.624 1.00 43.37 103 A 1 ATOM 804 C CE2 . TYR A 1 103 ? 5.996 4.454 7.192 1.00 42.58 103 A 1 ATOM 805 C CZ . TYR A 1 103 ? 5.405 5.277 6.220 1.00 43.12 103 A 1 ATOM 806 O OH . TYR A 1 103 ? 6.016 6.444 5.846 1.00 37.82 103 A 1 ATOM 807 N N . ARG A 1 104 ? 0.858 0.191 7.829 1.00 58.37 104 A 1 ATOM 808 C CA . ARG A 1 104 ? -0.243 -0.754 8.063 1.00 56.77 104 A 1 ATOM 809 C C . ARG A 1 104 ? 0.194 -2.125 8.580 1.00 58.48 104 A 1 ATOM 810 O O . ARG A 1 104 ? -0.543 -2.741 9.334 1.00 53.83 104 A 1 ATOM 811 C CB . ARG A 1 104 ? -1.041 -0.834 6.764 1.00 50.68 104 A 1 ATOM 812 C CG . ARG A 1 104 ? -2.328 -1.628 6.934 1.00 45.39 104 A 1 ATOM 813 C CD . ARG A 1 104 ? -3.128 -1.517 5.648 1.00 42.57 104 A 1 ATOM 814 N NE . ARG A 1 104 ? -4.184 -2.533 5.607 1.00 40.54 104 A 1 ATOM 815 C CZ . ARG A 1 104 ? -4.542 -3.188 4.530 1.00 37.00 104 A 1 ATOM 816 N NH1 . ARG A 1 104 ? -4.028 -2.922 3.362 1.00 35.71 104 A 1 ATOM 817 N NH2 . ARG A 1 104 ? -5.406 -4.148 4.587 1.00 34.00 104 A 1 ATOM 818 N N . TYR A 1 105 ? 1.324 -2.641 8.115 1.00 59.71 105 A 1 ATOM 819 C CA . TYR A 1 105 ? 1.567 -4.080 8.131 1.00 58.62 105 A 1 ATOM 820 C C . TYR A 1 105 ? 2.618 -4.590 9.114 1.00 61.53 105 A 1 ATOM 821 O O . TYR A 1 105 ? 2.855 -5.794 9.136 1.00 57.15 105 A 1 ATOM 822 C CB . TYR A 1 105 ? 1.852 -4.564 6.711 1.00 52.31 105 A 1 ATOM 823 C CG . TYR A 1 105 ? 0.709 -4.305 5.754 1.00 49.24 105 A 1 ATOM 824 C CD1 . TYR A 1 105 ? -0.591 -4.757 6.044 1.00 44.65 105 A 1 ATOM 825 C CD2 . TYR A 1 105 ? 0.948 -3.602 4.567 1.00 44.30 105 A 1 ATOM 826 C CE1 . TYR A 1 105 ? -1.650 -4.497 5.164 1.00 40.49 105 A 1 ATOM 827 C CE2 . TYR A 1 105 ? -0.099 -3.345 3.680 1.00 39.73 105 A 1 ATOM 828 C CZ . TYR A 1 105 ? -1.398 -3.792 3.978 1.00 40.01 105 A 1 ATOM 829 O OH . TYR A 1 105 ? -2.416 -3.530 3.109 1.00 34.43 105 A 1 ATOM 830 N N . ASP A 1 106 ? 3.179 -3.736 9.969 1.00 69.88 106 A 1 ATOM 831 C CA . ASP A 1 106 ? 4.161 -4.188 10.956 1.00 70.89 106 A 1 ATOM 832 C C . ASP A 1 106 ? 3.525 -4.665 12.274 1.00 75.65 106 A 1 ATOM 833 O O . ASP A 1 106 ? 4.210 -5.003 13.237 1.00 73.20 106 A 1 ATOM 834 C CB . ASP A 1 106 ? 5.247 -3.116 11.139 1.00 64.59 106 A 1 ATOM 835 C CG . ASP A 1 106 ? 6.159 -2.973 9.913 1.00 58.28 106 A 1 ATOM 836 O OD1 . ASP A 1 106 ? 5.926 -3.649 8.885 1.00 51.07 106 A 1 ATOM 837 O OD2 . ASP A 1 106 ? 7.112 -2.179 10.007 1.00 51.18 106 A 1 ATOM 838 N N . GLY A 1 107 ? 2.210 -4.744 12.313 1.00 79.30 107 A 1 ATOM 839 C CA . GLY A 1 107 ? 1.443 -5.085 13.502 1.00 81.99 107 A 1 ATOM 840 C C . GLY A 1 107 ? 1.299 -3.906 14.468 1.00 84.27 107 A 1 ATOM 841 O O . GLY A 1 107 ? 1.852 -2.828 14.265 1.00 82.98 107 A 1 ATOM 842 N N . MET A 1 108 ? 0.535 -4.120 15.529 1.00 90.55 108 A 1 ATOM 843 C CA . MET A 1 108 ? 0.388 -3.157 16.620 1.00 92.45 108 A 1 ATOM 844 C C . MET A 1 108 ? 1.484 -3.422 17.656 1.00 93.29 108 A 1 ATOM 845 O O . MET A 1 108 ? 1.370 -4.346 18.461 1.00 92.56 108 A 1 ATOM 846 C CB . MET A 1 108 ? -1.018 -3.252 17.217 1.00 92.13 108 A 1 ATOM 847 C CG . MET A 1 108 ? -2.075 -2.725 16.240 1.00 89.58 108 A 1 ATOM 848 S SD . MET A 1 108 ? -3.794 -2.893 16.804 1.00 87.70 108 A 1 ATOM 849 C CE . MET A 1 108 ? -4.010 -4.660 16.603 1.00 79.15 108 A 1 ATOM 850 N N . ASP A 1 109 ? 2.556 -2.638 17.588 1.00 91.25 109 A 1 ATOM 851 C CA . ASP A 1 109 ? 3.780 -2.890 18.351 1.00 89.90 109 A 1 ATOM 852 C C . ASP A 1 109 ? 3.749 -2.309 19.774 1.00 90.93 109 A 1 ATOM 853 O O . ASP A 1 109 ? 4.352 -2.881 20.680 1.00 89.80 109 A 1 ATOM 854 C CB . ASP A 1 109 ? 4.998 -2.399 17.544 1.00 86.40 109 A 1 ATOM 855 C CG . ASP A 1 109 ? 5.081 -0.881 17.338 1.00 83.87 109 A 1 ATOM 856 O OD1 . ASP A 1 109 ? 4.058 -0.168 17.453 1.00 79.16 109 A 1 ATOM 857 O OD2 . ASP A 1 109 ? 6.201 -0.372 17.115 1.00 80.56 109 A 1 ATOM 858 N N . TYR A 1 110 ? 3.010 -1.224 19.975 1.00 93.06 110 A 1 ATOM 859 C CA . TYR A 1 110 ? 2.788 -0.635 21.294 1.00 94.11 110 A 1 ATOM 860 C C . TYR A 1 110 ? 1.300 -0.443 21.557 1.00 95.26 110 A 1 ATOM 861 O O . TYR A 1 110 ? 0.550 -0.005 20.683 1.00 95.15 110 A 1 ATOM 862 C CB . TYR A 1 110 ? 3.543 0.691 21.443 1.00 93.08 110 A 1 ATOM 863 C CG . TYR A 1 110 ? 5.037 0.518 21.543 1.00 89.83 110 A 1 ATOM 864 C CD1 . TYR A 1 110 ? 5.664 0.400 22.798 1.00 86.68 110 A 1 ATOM 865 C CD2 . TYR A 1 110 ? 5.818 0.454 20.377 1.00 86.47 110 A 1 ATOM 866 C CE1 . TYR A 1 110 ? 7.052 0.220 22.891 1.00 84.22 110 A 1 ATOM 867 C CE2 . TYR A 1 110 ? 7.205 0.264 20.455 1.00 83.40 110 A 1 ATOM 868 C CZ . TYR A 1 110 ? 7.822 0.155 21.713 1.00 83.45 110 A 1 ATOM 869 O OH . TYR A 1 110 ? 9.177 -0.024 21.787 1.00 79.24 110 A 1 ATOM 870 N N . TRP A 1 111 ? 0.906 -0.717 22.782 1.00 96.20 111 A 1 ATOM 871 C CA . TRP A 1 111 ? -0.455 -0.606 23.291 1.00 97.13 111 A 1 ATOM 872 C C . TRP A 1 111 ? -0.461 0.234 24.563 1.00 97.40 111 A 1 ATOM 873 O O . TRP A 1 111 ? 0.492 0.187 25.351 1.00 96.74 111 A 1 ATOM 874 C CB . TRP A 1 111 ? -1.009 -2.005 23.575 1.00 97.12 111 A 1 ATOM 875 C CG . TRP A 1 111 ? -1.172 -2.897 22.383 1.00 97.00 111 A 1 ATOM 876 C CD1 . TRP A 1 111 ? -0.172 -3.400 21.611 1.00 95.93 111 A 1 ATOM 877 C CD2 . TRP A 1 111 ? -2.422 -3.415 21.811 1.00 96.79 111 A 1 ATOM 878 N NE1 . TRP A 1 111 ? -0.709 -4.195 20.605 1.00 95.94 111 A 1 ATOM 879 C CE2 . TRP A 1 111 ? -2.086 -4.241 20.701 1.00 96.45 111 A 1 ATOM 880 C CE3 . TRP A 1 111 ? -3.779 -3.270 22.142 1.00 96.44 111 A 1 ATOM 881 C CZ2 . TRP A 1 111 ? -3.065 -4.921 19.949 1.00 96.08 111 A 1 ATOM 882 C CZ3 . TRP A 1 111 ? -4.761 -3.939 21.396 1.00 95.92 111 A 1 ATOM 883 C CH2 . TRP A 1 111 ? -4.402 -4.761 20.311 1.00 95.67 111 A 1 ATOM 884 N N . GLY A 1 112 ? -1.536 0.972 24.786 1.00 97.64 112 A 1 ATOM 885 C CA . GLY A 1 112 ? -1.820 1.548 26.090 1.00 97.71 112 A 1 ATOM 886 C C . GLY A 1 112 ? -2.309 0.491 27.086 1.00 97.84 112 A 1 ATOM 887 O O . GLY A 1 112 ? -2.479 -0.688 26.758 1.00 96.91 112 A 1 ATOM 888 N N . GLN A 1 113 ? -2.541 0.917 28.323 1.00 97.10 113 A 1 ATOM 889 C CA . GLN A 1 113 ? -3.075 0.037 29.373 1.00 96.50 113 A 1 ATOM 890 C C . GLN A 1 113 ? -4.580 -0.192 29.248 1.00 97.28 113 A 1 ATOM 891 O O . GLN A 1 113 ? -5.128 -1.100 29.875 1.00 95.98 113 A 1 ATOM 892 C CB . GLN A 1 113 ? -2.723 0.606 30.753 1.00 94.37 113 A 1 ATOM 893 C CG . GLN A 1 113 ? -1.211 0.673 31.008 1.00 78.47 113 A 1 ATOM 894 C CD . GLN A 1 113 ? -0.535 -0.711 30.933 1.00 59.89 113 A 1 ATOM 895 O OE1 . GLN A 1 113 ? -1.073 -1.728 31.342 1.00 52.59 113 A 1 ATOM 896 N NE2 . GLN A 1 113 ? 0.664 -0.792 30.412 1.00 47.88 113 A 1 ATOM 897 N N . GLY A 1 114 ? -5.261 0.610 28.417 1.00 97.37 114 A 1 ATOM 898 C CA . GLY A 1 114 ? -6.695 0.576 28.217 1.00 97.68 114 A 1 ATOM 899 C C . GLY A 1 114 ? -7.466 1.485 29.172 1.00 97.99 114 A 1 ATOM 900 O O . GLY A 1 114 ? -7.039 1.798 30.283 1.00 96.70 114 A 1 ATOM 901 N N . THR A 1 115 ? -8.657 1.885 28.721 1.00 97.80 115 A 1 ATOM 902 C CA . THR A 1 115 ? -9.629 2.621 29.539 1.00 98.05 115 A 1 ATOM 903 C C . THR A 1 115 ? -10.981 1.922 29.474 1.00 98.18 115 A 1 ATOM 904 O O . THR A 1 115 ? -11.427 1.486 28.412 1.00 97.84 115 A 1 ATOM 905 C CB . THR A 1 115 ? -9.701 4.096 29.135 1.00 97.75 115 A 1 ATOM 906 O OG1 . THR A 1 115 ? -10.472 4.814 30.081 1.00 95.30 115 A 1 ATOM 907 C CG2 . THR A 1 115 ? -10.295 4.355 27.750 1.00 94.95 115 A 1 ATOM 908 N N . THR A 1 116 ? -11.651 1.778 30.602 1.00 97.82 116 A 1 ATOM 909 C CA . THR A 1 116 ? -12.915 1.047 30.687 1.00 97.95 116 A 1 ATOM 910 C C . THR A 1 116 ? -14.099 1.961 30.391 1.00 98.13 116 A 1 ATOM 911 O O . THR A 1 116 ? -14.264 3.006 31.025 1.00 97.51 116 A 1 ATOM 912 C CB . THR A 1 116 ? -13.085 0.374 32.056 1.00 97.15 116 A 1 ATOM 913 O OG1 . THR A 1 116 ? -11.976 -0.475 32.303 1.00 92.68 116 A 1 ATOM 914 C CG2 . THR A 1 116 ? -14.333 -0.512 32.122 1.00 92.12 116 A 1 ATOM 915 N N . VAL A 1 117 ? -14.961 1.543 29.479 1.00 98.13 117 A 1 ATOM 916 C CA . VAL A 1 117 ? -16.258 2.158 29.197 1.00 98.22 117 A 1 ATOM 917 C C . VAL A 1 117 ? -17.350 1.193 29.616 1.00 98.20 117 A 1 ATOM 918 O O . VAL A 1 117 ? -17.392 0.055 29.150 1.00 97.64 117 A 1 ATOM 919 C CB . VAL A 1 117 ? -16.388 2.524 27.706 1.00 97.97 117 A 1 ATOM 920 C CG1 . VAL A 1 117 ? -17.768 3.100 27.387 1.00 96.20 117 A 1 ATOM 921 C CG2 . VAL A 1 117 ? -15.327 3.562 27.313 1.00 96.22 117 A 1 ATOM 922 N N . THR A 1 118 ? -18.252 1.646 30.471 1.00 98.04 118 A 1 ATOM 923 C CA . THR A 1 118 ? -19.409 0.874 30.913 1.00 97.84 118 A 1 ATOM 924 C C . THR A 1 118 ? -20.680 1.589 30.476 1.00 97.95 118 A 1 ATOM 925 O O . THR A 1 118 ? -20.935 2.714 30.894 1.00 97.09 118 A 1 ATOM 926 C CB . THR A 1 118 ? -19.398 0.667 32.436 1.00 97.20 118 A 1 ATOM 927 O OG1 . THR A 1 118 ? -18.186 0.059 32.818 1.00 93.24 118 A 1 ATOM 928 C CG2 . THR A 1 118 ? -20.525 -0.261 32.899 1.00 93.04 118 A 1 ATOM 929 N N . VAL A 1 119 ? -21.495 0.936 29.644 1.00 97.38 119 A 1 ATOM 930 C CA . VAL A 1 119 ? -22.793 1.442 29.199 1.00 97.14 119 A 1 ATOM 931 C C . VAL A 1 119 ? -23.875 0.672 29.934 1.00 96.37 119 A 1 ATOM 932 O O . VAL A 1 119 ? -24.128 -0.495 29.637 1.00 93.81 119 A 1 ATOM 933 C CB . VAL A 1 119 ? -22.963 1.359 27.675 1.00 96.60 119 A 1 ATOM 934 C CG1 . VAL A 1 119 ? -24.227 2.094 27.246 1.00 93.38 119 A 1 ATOM 935 C CG2 . VAL A 1 119 ? -21.775 1.982 26.928 1.00 93.83 119 A 1 ATOM 936 N N . SER A 1 120 ? -24.477 1.316 30.915 1.00 95.05 120 A 1 ATOM 937 C CA . SER A 1 120 ? -25.500 0.731 31.776 1.00 93.16 120 A 1 ATOM 938 C C . SER A 1 120 ? -26.596 1.750 32.050 1.00 92.12 120 A 1 ATOM 939 O O . SER A 1 120 ? -26.326 2.942 32.194 1.00 85.63 120 A 1 ATOM 940 C CB . SER A 1 120 ? -24.877 0.263 33.093 1.00 88.46 120 A 1 ATOM 941 O OG . SER A 1 120 ? -25.838 -0.371 33.919 1.00 77.38 120 A 1 ATOM 942 N N . SER A 1 121 ? -27.824 1.294 32.117 1.00 89.80 121 A 1 ATOM 943 C CA . SER A 1 121 ? -28.950 2.041 32.667 1.00 86.09 121 A 1 ATOM 944 C C . SER A 1 121 ? -28.849 2.189 34.169 1.00 80.36 121 A 1 ATOM 945 O O . SER A 1 121 ? -28.414 1.218 34.821 1.00 71.56 121 A 1 ATOM 946 C CB . SER A 1 121 ? -30.257 1.313 32.337 1.00 78.40 121 A 1 ATOM 947 O OG . SER A 1 121 ? -30.129 -0.001 32.829 1.00 69.47 121 A 1 ATOM 948 O OXT . SER A 1 121 ? -29.265 3.298 34.653 1.00 67.75 121 A 1 ATOM 949 N N . GLU B 2 1 ? -15.795 -9.537 5.471 1.00 78.24 1 B 1 ATOM 950 C CA . GLU B 2 1 ? -14.912 -9.687 6.643 1.00 85.05 1 B 1 ATOM 951 C C . GLU B 2 1 ? -14.168 -11.005 6.555 1.00 86.96 1 B 1 ATOM 952 O O . GLU B 2 1 ? -14.727 -11.981 6.059 1.00 84.33 1 B 1 ATOM 953 C CB . GLU B 2 1 ? -15.763 -9.589 7.907 1.00 79.56 1 B 1 ATOM 954 C CG . GLU B 2 1 ? -14.941 -9.568 9.183 1.00 73.16 1 B 1 ATOM 955 C CD . GLU B 2 1 ? -15.810 -9.239 10.402 1.00 70.16 1 B 1 ATOM 956 O OE1 . GLU B 2 1 ? -15.210 -8.904 11.433 1.00 64.26 1 B 1 ATOM 957 O OE2 . GLU B 2 1 ? -17.052 -9.294 10.276 1.00 69.56 1 B 1 ATOM 958 N N . ILE B 2 2 ? -12.912 -11.042 6.966 1.00 85.69 2 B 1 ATOM 959 C CA . ILE B 2 2 ? -12.115 -12.274 7.036 1.00 89.43 2 B 1 ATOM 960 C C . ILE B 2 2 ? -12.215 -12.814 8.460 1.00 92.07 2 B 1 ATOM 961 O O . ILE B 2 2 ? -11.553 -12.311 9.367 1.00 91.84 2 B 1 ATOM 962 C CB . ILE B 2 2 ? -10.661 -12.051 6.586 1.00 87.07 2 B 1 ATOM 963 C CG1 . ILE B 2 2 ? -10.622 -11.541 5.127 1.00 84.90 2 B 1 ATOM 964 C CG2 . ILE B 2 2 ? -9.875 -13.362 6.728 1.00 84.42 2 B 1 ATOM 965 C CD1 . ILE B 2 2 ? -9.206 -11.288 4.590 1.00 78.89 2 B 1 ATOM 966 N N . VAL B 2 3 ? -13.032 -13.834 8.656 1.00 93.62 3 B 1 ATOM 967 C CA . VAL B 2 3 ? -13.160 -14.493 9.955 1.00 94.89 3 B 1 ATOM 968 C C . VAL B 2 3 ? -11.932 -15.378 10.198 1.00 95.30 3 B 1 ATOM 969 O O . VAL B 2 3 ? -11.523 -16.137 9.316 1.00 94.69 3 B 1 ATOM 970 C CB . VAL B 2 3 ? -14.464 -15.306 10.038 1.00 94.35 3 B 1 ATOM 971 C CG1 . VAL B 2 3 ? -14.616 -15.993 11.394 1.00 89.68 3 B 1 ATOM 972 C CG2 . VAL B 2 3 ? -15.680 -14.395 9.823 1.00 90.09 3 B 1 ATOM 973 N N . LEU B 2 4 ? -11.357 -15.268 11.388 1.00 95.84 4 B 1 ATOM 974 C CA . LEU B 2 4 ? -10.267 -16.102 11.866 1.00 96.60 4 B 1 ATOM 975 C C . LEU B 2 4 ? -10.785 -17.041 12.955 1.00 97.04 4 B 1 ATOM 976 O O . LEU B 2 4 ? -11.350 -16.584 13.955 1.00 96.54 4 B 1 ATOM 977 C CB . LEU B 2 4 ? -9.124 -15.227 12.401 1.00 96.46 4 B 1 ATOM 978 C CG . LEU B 2 4 ? -8.519 -14.236 11.401 1.00 95.55 4 B 1 ATOM 979 C CD1 . LEU B 2 4 ? -7.377 -13.480 12.077 1.00 93.18 4 B 1 ATOM 980 C CD2 . LEU B 2 4 ? -7.963 -14.928 10.154 1.00 92.58 4 B 1 ATOM 981 N N . THR B 2 5 ? -10.558 -18.333 12.792 1.00 96.67 5 B 1 ATOM 982 C CA . THR B 2 5 ? -10.915 -19.354 13.782 1.00 96.61 5 B 1 ATOM 983 C C . THR B 2 5 ? -9.655 -19.896 14.424 1.00 97.07 5 B 1 ATOM 984 O O . THR B 2 5 ? -8.813 -20.480 13.745 1.00 96.27 5 B 1 ATOM 985 C CB . THR B 2 5 ? -11.734 -20.482 13.138 1.00 95.94 5 B 1 ATOM 986 O OG1 . THR B 2 5 ? -12.878 -19.932 12.519 1.00 91.54 5 B 1 ATOM 987 C CG2 . THR B 2 5 ? -12.224 -21.480 14.173 1.00 90.64 5 B 1 ATOM 988 N N . GLN B 2 6 ? -9.514 -19.715 15.722 1.00 97.50 6 B 1 ATOM 989 C CA . GLN B 2 6 ? -8.419 -20.305 16.489 1.00 97.67 6 B 1 ATOM 990 C C . GLN B 2 6 ? -8.824 -21.634 17.121 1.00 97.24 6 B 1 ATOM 991 O O . GLN B 2 6 ? -9.931 -21.783 17.636 1.00 95.43 6 B 1 ATOM 992 C CB . GLN B 2 6 ? -7.892 -19.333 17.545 1.00 97.35 6 B 1 ATOM 993 C CG . GLN B 2 6 ? -7.111 -18.190 16.901 1.00 96.59 6 B 1 ATOM 994 C CD . GLN B 2 6 ? -6.513 -17.259 17.939 1.00 97.62 6 B 1 ATOM 995 O OE1 . GLN B 2 6 ? -6.941 -16.137 18.102 1.00 93.05 6 B 1 ATOM 996 N NE2 . GLN B 2 6 ? -5.506 -17.686 18.677 1.00 92.40 6 B 1 ATOM 997 N N . SER B 2 7 ? -7.904 -22.583 17.093 1.00 95.96 7 B 1 ATOM 998 C CA . SER B 2 7 ? -8.093 -23.887 17.728 1.00 95.11 7 B 1 ATOM 999 C C . SER B 2 7 ? -6.800 -24.376 18.384 1.00 95.16 7 B 1 ATOM 1000 O O . SER B 2 7 ? -5.712 -24.145 17.853 1.00 93.08 7 B 1 ATOM 1001 C CB . SER B 2 7 ? -8.603 -24.901 16.702 1.00 92.57 7 B 1 ATOM 1002 O OG . SER B 2 7 ? -7.672 -25.089 15.655 1.00 81.80 7 B 1 ATOM 1003 N N . PRO B 2 8 ? -6.891 -25.090 19.530 1.00 94.88 8 B 1 ATOM 1004 C CA . PRO B 2 8 ? -8.089 -25.245 20.352 1.00 95.29 8 B 1 ATOM 1005 C C . PRO B 2 8 ? -8.471 -23.921 21.051 1.00 95.86 8 B 1 ATOM 1006 O O . PRO B 2 8 ? -7.702 -22.968 21.044 1.00 94.74 8 B 1 ATOM 1007 C CB . PRO B 2 8 ? -7.723 -26.346 21.346 1.00 93.98 8 B 1 ATOM 1008 C CG . PRO B 2 8 ? -6.229 -26.120 21.560 1.00 91.92 8 B 1 ATOM 1009 C CD . PRO B 2 8 ? -5.743 -25.696 20.186 1.00 92.67 8 B 1 ATOM 1010 N N . ALA B 2 9 ? -9.655 -23.851 21.646 1.00 95.87 9 B 1 ATOM 1011 C CA . ALA B 2 9 ? -10.045 -22.688 22.453 1.00 95.97 9 B 1 ATOM 1012 C C . ALA B 2 9 ? -9.269 -22.617 23.780 1.00 96.58 9 B 1 ATOM 1013 O O . ALA B 2 9 ? -8.928 -21.535 24.261 1.00 95.12 9 B 1 ATOM 1014 C CB . ALA B 2 9 ? -11.555 -22.742 22.701 1.00 94.27 9 B 1 ATOM 1015 N N . THR B 2 10 ? -8.973 -23.795 24.350 1.00 96.33 10 B 1 ATOM 1016 C CA . THR B 2 10 ? -8.153 -23.951 25.552 1.00 96.22 10 B 1 ATOM 1017 C C . THR B 2 10 ? -7.148 -25.071 25.331 1.00 96.18 10 B 1 ATOM 1018 O O . THR B 2 10 ? -7.484 -26.112 24.766 1.00 93.94 10 B 1 ATOM 1019 C CB . THR B 2 10 ? -9.015 -24.243 26.785 1.00 94.71 10 B 1 ATOM 1020 O OG1 . THR B 2 10 ? -9.993 -23.236 26.942 1.00 83.35 10 B 1 ATOM 1021 C CG2 . THR B 2 10 ? -8.203 -24.272 28.075 1.00 81.81 10 B 1 ATOM 1022 N N . LEU B 2 11 ? -5.912 -24.844 25.749 1.00 96.09 11 B 1 ATOM 1023 C CA . LEU B 2 11 ? -4.821 -25.798 25.688 1.00 95.62 11 B 1 ATOM 1024 C C . LEU B 2 11 ? -4.209 -25.929 27.085 1.00 96.20 11 B 1 ATOM 1025 O O . LEU B 2 11 ? -3.517 -25.022 27.551 1.00 94.67 11 B 1 ATOM 1026 C CB . LEU B 2 11 ? -3.817 -25.290 24.637 1.00 93.24 11 B 1 ATOM 1027 C CG . LEU B 2 11 ? -2.669 -26.263 24.334 1.00 88.82 11 B 1 ATOM 1028 C CD1 . LEU B 2 11 ? -3.171 -27.533 23.636 1.00 84.79 11 B 1 ATOM 1029 C CD2 . LEU B 2 11 ? -1.666 -25.577 23.416 1.00 84.38 11 B 1 ATOM 1030 N N . SER B 2 12 ? -4.476 -27.055 27.752 1.00 95.89 12 B 1 ATOM 1031 C CA . SER B 2 12 ? -3.953 -27.351 29.086 1.00 95.79 12 B 1 ATOM 1032 C C . SER B 2 12 ? -2.681 -28.184 28.972 1.00 95.76 12 B 1 ATOM 1033 O O . SER B 2 12 ? -2.727 -29.335 28.526 1.00 93.85 12 B 1 ATOM 1034 C CB . SER B 2 12 ? -4.996 -28.076 29.940 1.00 94.28 12 B 1 ATOM 1035 O OG . SER B 2 12 ? -6.255 -27.424 29.900 1.00 81.74 12 B 1 ATOM 1036 N N . LEU B 2 13 ? -1.548 -27.602 29.342 1.00 95.66 13 B 1 ATOM 1037 C CA . LEU B 2 13 ? -0.224 -28.198 29.213 1.00 95.69 13 B 1 ATOM 1038 C C . LEU B 2 13 ? 0.603 -27.968 30.486 1.00 95.63 13 B 1 ATOM 1039 O O . LEU B 2 13 ? 0.346 -27.062 31.271 1.00 94.11 13 B 1 ATOM 1040 C CB . LEU B 2 13 ? 0.505 -27.614 27.990 1.00 94.69 13 B 1 ATOM 1041 C CG . LEU B 2 13 ? -0.084 -27.988 26.620 1.00 93.76 13 B 1 ATOM 1042 C CD1 . LEU B 2 13 ? 0.682 -27.250 25.529 1.00 89.72 13 B 1 ATOM 1043 C CD2 . LEU B 2 13 ? 0.015 -29.485 26.313 1.00 89.68 13 B 1 ATOM 1044 N N . SER B 2 14 ? 1.634 -28.794 30.656 1.00 95.43 14 B 1 ATOM 1045 C CA . SER B 2 14 ? 2.598 -28.634 31.737 1.00 95.37 14 B 1 ATOM 1046 C C . SER B 2 14 ? 3.776 -27.754 31.296 1.00 95.77 14 B 1 ATOM 1047 O O . SER B 2 14 ? 4.115 -27.718 30.111 1.00 94.55 14 B 1 ATOM 1048 C CB . SER B 2 14 ? 3.096 -29.998 32.214 1.00 94.00 14 B 1 ATOM 1049 O OG . SER B 2 14 ? 2.002 -30.831 32.569 1.00 87.57 14 B 1 ATOM 1050 N N . PRO B 2 15 ? 4.447 -27.062 32.223 1.00 95.94 15 B 1 ATOM 1051 C CA . PRO B 2 15 ? 5.716 -26.402 31.918 1.00 95.71 15 B 1 ATOM 1052 C C . PRO B 2 15 ? 6.719 -27.363 31.268 1.00 95.90 15 B 1 ATOM 1053 O O . PRO B 2 15 ? 6.825 -28.525 31.658 1.00 94.51 15 B 1 ATOM 1054 C CB . PRO B 2 15 ? 6.229 -25.865 33.259 1.00 94.41 15 B 1 ATOM 1055 C CG . PRO B 2 15 ? 4.953 -25.712 34.089 1.00 92.18 15 B 1 ATOM 1056 C CD . PRO B 2 15 ? 4.081 -26.864 33.613 1.00 94.59 15 B 1 ATOM 1057 N N . GLY B 2 16 ? 7.454 -26.881 30.258 1.00 95.55 16 B 1 ATOM 1058 C CA . GLY B 2 16 ? 8.396 -27.680 29.462 1.00 95.57 16 B 1 ATOM 1059 C C . GLY B 2 16 ? 7.785 -28.361 28.242 1.00 95.90 16 B 1 ATOM 1060 O O . GLY B 2 16 ? 8.522 -28.722 27.317 1.00 93.67 16 B 1 ATOM 1061 N N . GLU B 2 17 ? 6.456 -28.509 28.151 1.00 95.91 17 B 1 ATOM 1062 C CA . GLU B 2 17 ? 5.792 -29.075 26.982 1.00 95.73 17 B 1 ATOM 1063 C C . GLU B 2 17 ? 5.764 -28.087 25.805 1.00 96.02 17 B 1 ATOM 1064 O O . GLU B 2 17 ? 5.913 -26.869 25.952 1.00 95.27 17 B 1 ATOM 1065 C CB . GLU B 2 17 ? 4.380 -29.574 27.319 1.00 94.38 17 B 1 ATOM 1066 C CG . GLU B 2 17 ? 4.407 -30.767 28.301 1.00 90.46 17 B 1 ATOM 1067 C CD . GLU B 2 17 ? 3.016 -31.391 28.483 1.00 89.90 17 B 1 ATOM 1068 O OE1 . GLU B 2 17 ? 2.890 -32.619 28.305 1.00 82.69 17 B 1 ATOM 1069 O OE2 . GLU B 2 17 ? 2.064 -30.642 28.811 1.00 84.27 17 B 1 ATOM 1070 N N . ARG B 2 18 ? 5.581 -28.641 24.595 1.00 96.36 18 B 1 ATOM 1071 C CA . ARG B 2 18 ? 5.402 -27.846 23.386 1.00 96.74 18 B 1 ATOM 1072 C C . ARG B 2 18 ? 3.936 -27.465 23.229 1.00 96.87 18 B 1 ATOM 1073 O O . ARG B 2 18 ? 3.079 -28.343 23.160 1.00 95.33 18 B 1 ATOM 1074 C CB . ARG B 2 18 ? 5.937 -28.615 22.169 1.00 96.00 18 B 1 ATOM 1075 C CG . ARG B 2 18 ? 5.713 -27.836 20.857 1.00 93.32 18 B 1 ATOM 1076 C CD . ARG B 2 18 ? 6.277 -28.583 19.647 1.00 91.10 18 B 1 ATOM 1077 N NE . ARG B 2 18 ? 7.749 -28.606 19.664 1.00 85.09 18 B 1 ATOM 1078 C CZ . ARG B 2 18 ? 8.535 -29.285 18.844 1.00 80.43 18 B 1 ATOM 1079 N NH1 . ARG B 2 18 ? 8.034 -30.053 17.905 1.00 70.98 18 B 1 ATOM 1080 N NH2 . ARG B 2 18 ? 9.823 -29.197 18.943 1.00 74.62 18 B 1 ATOM 1081 N N . ALA B 2 19 ? 3.664 -26.177 23.048 1.00 96.87 19 B 1 ATOM 1082 C CA . ALA B 2 19 ? 2.351 -25.681 22.645 1.00 96.81 19 B 1 ATOM 1083 C C . ALA B 2 19 ? 2.307 -25.435 21.132 1.00 97.21 19 B 1 ATOM 1084 O O . ALA B 2 19 ? 3.218 -24.841 20.566 1.00 96.50 19 B 1 ATOM 1085 C CB . ALA B 2 19 ? 2.016 -24.421 23.444 1.00 96.16 19 B 1 ATOM 1086 N N . THR B 2 20 ? 1.220 -25.880 20.484 1.00 97.32 20 B 1 ATOM 1087 C CA . THR B 2 20 ? 0.940 -25.611 19.075 1.00 97.24 20 B 1 ATOM 1088 C C . THR B 2 20 ? -0.467 -25.035 18.952 1.00 97.35 20 B 1 ATOM 1089 O O . THR B 2 20 ? -1.445 -25.693 19.306 1.00 96.28 20 B 1 ATOM 1090 C CB . THR B 2 20 ? 1.080 -26.885 18.225 1.00 96.28 20 B 1 ATOM 1091 O OG1 . THR B 2 20 ? 2.375 -27.425 18.379 1.00 89.55 20 B 1 ATOM 1092 C CG2 . THR B 2 20 ? 0.895 -26.607 16.734 1.00 87.77 20 B 1 ATOM 1093 N N . LEU B 2 21 ? -0.565 -23.791 18.470 1.00 97.76 21 B 1 ATOM 1094 C CA . LEU B 2 21 ? -1.807 -23.041 18.349 1.00 97.84 21 B 1 ATOM 1095 C C . LEU B 2 21 ? -2.088 -22.804 16.872 1.00 97.92 21 B 1 ATOM 1096 O O . LEU B 2 21 ? -1.244 -22.265 16.164 1.00 96.93 21 B 1 ATOM 1097 C CB . LEU B 2 21 ? -1.698 -21.700 19.087 1.00 97.48 21 B 1 ATOM 1098 C CG . LEU B 2 21 ? -1.613 -21.773 20.627 1.00 96.49 21 B 1 ATOM 1099 C CD1 . LEU B 2 21 ? -0.238 -22.200 21.147 1.00 91.30 21 B 1 ATOM 1100 C CD2 . LEU B 2 21 ? -1.890 -20.386 21.197 1.00 90.75 21 B 1 ATOM 1101 N N . SER B 2 22 ? -3.284 -23.176 16.404 1.00 97.71 22 B 1 ATOM 1102 C CA . SER B 2 22 ? -3.695 -23.008 15.013 1.00 97.70 22 B 1 ATOM 1103 C C . SER B 2 22 ? -4.608 -21.795 14.844 1.00 97.98 22 B 1 ATOM 1104 O O . SER B 2 22 ? -5.426 -21.490 15.712 1.00 97.17 22 B 1 ATOM 1105 C CB . SER B 2 22 ? -4.368 -24.276 14.495 1.00 96.82 22 B 1 ATOM 1106 O OG . SER B 2 22 ? -3.464 -25.365 14.573 1.00 79.17 22 B 1 ATOM 1107 N N . CYS B 2 23 ? -4.481 -21.120 13.699 1.00 97.65 23 B 1 ATOM 1108 C CA . CYS B 2 23 ? -5.377 -20.062 13.263 1.00 97.51 23 B 1 ATOM 1109 C C . CYS B 2 23 ? -5.734 -20.294 11.799 1.00 97.46 23 B 1 ATOM 1110 O O . CYS B 2 23 ? -4.848 -20.288 10.940 1.00 95.78 23 B 1 ATOM 1111 C CB . CYS B 2 23 ? -4.687 -18.708 13.479 1.00 97.04 23 B 1 ATOM 1112 S SG . CYS B 2 23 ? -5.692 -17.297 12.949 1.00 96.55 23 B 1 ATOM 1113 N N . SER B 2 24 ? -7.023 -20.501 11.510 1.00 97.08 24 B 1 ATOM 1114 C CA . SER B 2 24 ? -7.533 -20.720 10.166 1.00 96.85 24 B 1 ATOM 1115 C C . SER B 2 24 ? -8.373 -19.527 9.716 1.00 96.73 24 B 1 ATOM 1116 O O . SER B 2 24 ? -9.255 -19.068 10.449 1.00 95.55 24 B 1 ATOM 1117 C CB . SER B 2 24 ? -8.327 -22.029 10.098 1.00 95.72 24 B 1 ATOM 1118 O OG . SER B 2 24 ? -8.627 -22.345 8.762 1.00 79.20 24 B 1 ATOM 1119 N N . ALA B 2 25 ? -8.097 -19.010 8.524 1.00 95.15 25 B 1 ATOM 1120 C CA . ALA B 2 25 ? -8.823 -17.913 7.914 1.00 94.17 25 B 1 ATOM 1121 C C . ALA B 2 25 ? -9.842 -18.438 6.891 1.00 93.80 25 B 1 ATOM 1122 O O . ALA B 2 25 ? -9.534 -19.318 6.103 1.00 92.39 25 B 1 ATOM 1123 C CB . ALA B 2 25 ? -7.815 -16.943 7.277 1.00 92.90 25 B 1 ATOM 1124 N N . ILE B 2 26 ? -11.041 -17.840 6.833 1.00 92.45 26 B 1 ATOM 1125 C CA . ILE B 2 26 ? -12.079 -18.225 5.855 1.00 91.50 26 B 1 ATOM 1126 C C . ILE B 2 26 ? -11.674 -17.943 4.392 1.00 90.55 26 B 1 ATOM 1127 O O . ILE B 2 26 ? -12.233 -18.505 3.453 1.00 87.11 26 B 1 ATOM 1128 C CB . ILE B 2 26 ? -13.410 -17.536 6.223 1.00 89.88 26 B 1 ATOM 1129 C CG1 . ILE B 2 26 ? -14.598 -18.221 5.517 1.00 79.30 26 B 1 ATOM 1130 C CG2 . ILE B 2 26 ? -13.372 -16.027 5.940 1.00 76.39 26 B 1 ATOM 1131 C CD1 . ILE B 2 26 ? -15.967 -17.779 6.035 1.00 71.00 26 B 1 ATOM 1132 N N . SER B 2 27 ? -10.717 -17.045 4.185 1.00 89.32 27 B 1 ATOM 1133 C CA . SER B 2 27 ? -10.111 -16.753 2.897 1.00 87.53 27 B 1 ATOM 1134 C C . SER B 2 27 ? -8.622 -16.490 3.074 1.00 87.87 27 B 1 ATOM 1135 O O . SER B 2 27 ? -8.218 -15.997 4.122 1.00 85.96 27 B 1 ATOM 1136 C CB . SER B 2 27 ? -10.785 -15.546 2.231 1.00 84.60 27 B 1 ATOM 1137 O OG . SER B 2 27 ? -10.661 -14.386 3.023 1.00 73.77 27 B 1 ATOM 1138 N N . SER B 2 28 ? -7.836 -16.769 2.041 1.00 85.12 28 B 1 ATOM 1139 C CA . SER B 2 28 ? -6.388 -16.588 2.069 1.00 83.33 28 B 1 ATOM 1140 C C . SER B 2 28 ? -5.979 -15.193 2.515 1.00 82.73 28 B 1 ATOM 1141 O O . SER B 2 28 ? -6.503 -14.184 2.025 1.00 80.54 28 B 1 ATOM 1142 C CB . SER B 2 28 ? -5.802 -16.895 0.683 1.00 80.62 28 B 1 ATOM 1143 O OG . SER B 2 28 ? -4.388 -16.874 0.729 1.00 70.79 28 B 1 ATOM 1144 N N . VAL B 2 29 ? -5.017 -15.141 3.431 1.00 82.96 29 B 1 ATOM 1145 C CA . VAL B 2 29 ? -4.315 -13.936 3.865 1.00 83.52 29 B 1 ATOM 1146 C C . VAL B 2 29 ? -2.824 -14.098 3.605 1.00 82.74 29 B 1 ATOM 1147 O O . VAL B 2 29 ? -2.311 -15.215 3.537 1.00 81.16 29 B 1 ATOM 1148 C CB . VAL B 2 29 ? -4.600 -13.576 5.339 1.00 84.25 29 B 1 ATOM 1149 C CG1 . VAL B 2 29 ? -6.088 -13.317 5.560 1.00 78.16 29 B 1 ATOM 1150 C CG2 . VAL B 2 29 ? -4.144 -14.649 6.321 1.00 79.39 29 B 1 ATOM 1151 N N . SER B 2 30 ? -2.119 -12.981 3.435 1.00 80.50 30 B 1 ATOM 1152 C CA . SER B 2 30 ? -0.704 -13.008 3.056 1.00 78.84 30 B 1 ATOM 1153 C C . SER B 2 30 ? 0.218 -13.214 4.251 1.00 80.58 30 B 1 ATOM 1154 O O . SER B 2 30 ? 1.259 -13.848 4.125 1.00 78.32 30 B 1 ATOM 1155 C CB . SER B 2 30 ? -0.339 -11.709 2.351 1.00 74.45 30 B 1 ATOM 1156 O OG . SER B 2 30 ? -1.263 -11.481 1.307 1.00 66.17 30 B 1 ATOM 1157 N N . TYR B 2 31 ? -0.175 -12.680 5.407 1.00 81.32 31 B 1 ATOM 1158 C CA . TYR B 2 31 ? 0.591 -12.753 6.648 1.00 83.22 31 B 1 ATOM 1159 C C . TYR B 2 31 ? -0.344 -12.868 7.844 1.00 86.48 31 B 1 ATOM 1160 O O . TYR B 2 31 ? -1.484 -12.398 7.811 1.00 86.64 31 B 1 ATOM 1161 C CB . TYR B 2 31 ? 1.473 -11.505 6.800 1.00 80.30 31 B 1 ATOM 1162 C CG . TYR B 2 31 ? 2.455 -11.315 5.676 1.00 76.55 31 B 1 ATOM 1163 C CD1 . TYR B 2 31 ? 3.616 -12.118 5.586 1.00 71.96 31 B 1 ATOM 1164 C CD2 . TYR B 2 31 ? 2.216 -10.352 4.682 1.00 70.94 31 B 1 ATOM 1165 C CE1 . TYR B 2 31 ? 4.513 -11.962 4.532 1.00 67.57 31 B 1 ATOM 1166 C CE2 . TYR B 2 31 ? 3.115 -10.189 3.625 1.00 67.13 31 B 1 ATOM 1167 C CZ . TYR B 2 31 ? 4.263 -10.997 3.545 1.00 68.51 31 B 1 ATOM 1168 O OH . TYR B 2 31 ? 5.142 -10.833 2.510 1.00 63.38 31 B 1 ATOM 1169 N N . MET B 2 32 ? 0.177 -13.453 8.914 1.00 88.93 32 B 1 ATOM 1170 C CA . MET B 2 32 ? -0.483 -13.534 10.210 1.00 91.53 32 B 1 ATOM 1171 C C . MET B 2 32 ? 0.374 -12.853 11.280 1.00 91.58 32 B 1 ATOM 1172 O O . MET B 2 32 ? 1.605 -12.896 11.232 1.00 90.37 32 B 1 ATOM 1173 C CB . MET B 2 32 ? -0.776 -14.998 10.549 1.00 92.41 32 B 1 ATOM 1174 C CG . MET B 2 32 ? -1.795 -15.138 11.675 1.00 90.87 32 B 1 ATOM 1175 S SD . MET B 2 32 ? -3.442 -14.452 11.323 1.00 92.14 32 B 1 ATOM 1176 C CE . MET B 2 32 ? -4.000 -15.558 10.015 1.00 88.50 32 B 1 ATOM 1177 N N . TYR B 2 33 ? -0.299 -12.243 12.231 1.00 93.46 33 B 1 ATOM 1178 C CA . TYR B 2 33 ? 0.293 -11.569 13.373 1.00 94.31 33 B 1 ATOM 1179 C C . TYR B 2 33 ? -0.208 -12.241 14.642 1.00 95.82 33 B 1 ATOM 1180 O O . TYR B 2 33 ? -1.369 -12.628 14.716 1.00 96.09 33 B 1 ATOM 1181 C CB . TYR B 2 33 ? -0.071 -10.078 13.339 1.00 92.63 33 B 1 ATOM 1182 C CG . TYR B 2 33 ? 0.440 -9.357 12.112 1.00 90.18 33 B 1 ATOM 1183 C CD1 . TYR B 2 33 ? 1.569 -8.512 12.196 1.00 86.06 33 B 1 ATOM 1184 C CD2 . TYR B 2 33 ? -0.179 -9.554 10.865 1.00 85.57 33 B 1 ATOM 1185 C CE1 . TYR B 2 33 ? 2.079 -7.902 11.049 1.00 82.93 33 B 1 ATOM 1186 C CE2 . TYR B 2 33 ? 0.341 -8.957 9.705 1.00 82.29 33 B 1 ATOM 1187 C CZ . TYR B 2 33 ? 1.475 -8.132 9.801 1.00 82.77 33 B 1 ATOM 1188 O OH . TYR B 2 33 ? 1.998 -7.581 8.674 1.00 78.84 33 B 1 ATOM 1189 N N . TRP B 2 34 ? 0.669 -12.383 15.638 1.00 96.47 34 B 1 ATOM 1190 C CA . TRP B 2 34 ? 0.337 -13.047 16.886 1.00 97.39 34 B 1 ATOM 1191 C C . TRP B 2 34 ? 0.577 -12.132 18.079 1.00 97.35 34 B 1 ATOM 1192 O O . TRP B 2 34 ? 1.624 -11.495 18.190 1.00 96.95 34 B 1 ATOM 1193 C CB . TRP B 2 34 ? 1.125 -14.347 17.015 1.00 97.79 34 B 1 ATOM 1194 C CG . TRP B 2 34 ? 0.743 -15.412 16.028 1.00 97.94 34 B 1 ATOM 1195 C CD1 . TRP B 2 34 ? 1.332 -15.632 14.834 1.00 97.31 34 B 1 ATOM 1196 C CD2 . TRP B 2 34 ? -0.302 -16.423 16.161 1.00 97.92 34 B 1 ATOM 1197 N NE1 . TRP B 2 34 ? 0.738 -16.720 14.203 1.00 97.38 34 B 1 ATOM 1198 C CE2 . TRP B 2 34 ? -0.267 -17.245 15.000 1.00 97.75 34 B 1 ATOM 1199 C CE3 . TRP B 2 34 ? -1.258 -16.736 17.153 1.00 97.86 34 B 1 ATOM 1200 C CZ2 . TRP B 2 34 ? -1.129 -18.347 14.835 1.00 97.73 34 B 1 ATOM 1201 C CZ3 . TRP B 2 34 ? -2.119 -17.826 16.989 1.00 97.56 34 B 1 ATOM 1202 C CH2 . TRP B 2 34 ? -2.055 -18.627 15.847 1.00 97.43 34 B 1 ATOM 1203 N N . TYR B 2 35 ? -0.384 -12.131 18.994 1.00 98.03 35 B 1 ATOM 1204 C CA . TYR B 2 35 ? -0.356 -11.348 20.216 1.00 98.10 35 B 1 ATOM 1205 C C . TYR B 2 35 ? -0.512 -12.259 21.431 1.00 98.38 35 B 1 ATOM 1206 O O . TYR B 2 35 ? -1.260 -13.230 21.389 1.00 98.24 35 B 1 ATOM 1207 C CB . TYR B 2 35 ? -1.463 -10.283 20.207 1.00 97.59 35 B 1 ATOM 1208 C CG . TYR B 2 35 ? -1.370 -9.313 19.053 1.00 97.06 35 B 1 ATOM 1209 C CD1 . TYR B 2 35 ? -0.759 -8.043 19.222 1.00 95.58 35 B 1 ATOM 1210 C CD2 . TYR B 2 35 ? -1.881 -9.660 17.789 1.00 95.57 35 B 1 ATOM 1211 C CE1 . TYR B 2 35 ? -0.632 -7.162 18.151 1.00 94.67 35 B 1 ATOM 1212 C CE2 . TYR B 2 35 ? -1.751 -8.784 16.697 1.00 94.48 35 B 1 ATOM 1213 C CZ . TYR B 2 35 ? -1.125 -7.531 16.877 1.00 95.02 35 B 1 ATOM 1214 O OH . TYR B 2 35 ? -0.975 -6.687 15.819 1.00 93.49 35 B 1 ATOM 1215 N N . GLN B 2 36 ? 0.168 -11.918 22.525 1.00 98.28 36 B 1 ATOM 1216 C CA . GLN B 2 36 ? -0.035 -12.499 23.849 1.00 98.26 36 B 1 ATOM 1217 C C . GLN B 2 36 ? -0.772 -11.497 24.728 1.00 98.18 36 B 1 ATOM 1218 O O . GLN B 2 36 ? -0.410 -10.321 24.775 1.00 97.67 36 B 1 ATOM 1219 C CB . GLN B 2 36 ? 1.327 -12.871 24.449 1.00 97.97 36 B 1 ATOM 1220 C CG . GLN B 2 36 ? 1.229 -13.542 25.817 1.00 97.30 36 B 1 ATOM 1221 C CD . GLN B 2 36 ? 2.619 -13.727 26.441 1.00 97.04 36 B 1 ATOM 1222 O OE1 . GLN B 2 36 ? 3.303 -12.770 26.772 1.00 91.12 36 B 1 ATOM 1223 N NE2 . GLN B 2 36 ? 3.089 -14.945 26.611 1.00 90.06 36 B 1 ATOM 1224 N N . GLN B 2 37 ? -1.751 -11.972 25.495 1.00 98.18 37 B 1 ATOM 1225 C CA . GLN B 2 37 ? -2.392 -11.180 26.539 1.00 97.91 37 B 1 ATOM 1226 C C . GLN B 2 37 ? -2.408 -11.951 27.863 1.00 97.85 37 B 1 ATOM 1227 O O . GLN B 2 37 ? -3.025 -13.006 27.978 1.00 96.96 37 B 1 ATOM 1228 C CB . GLN B 2 37 ? -3.798 -10.770 26.095 1.00 97.64 37 B 1 ATOM 1229 C CG . GLN B 2 37 ? -4.388 -9.721 27.041 1.00 97.03 37 B 1 ATOM 1230 C CD . GLN B 2 37 ? -5.800 -9.303 26.651 1.00 97.24 37 B 1 ATOM 1231 O OE1 . GLN B 2 37 ? -6.573 -10.052 26.066 1.00 93.19 37 B 1 ATOM 1232 N NE2 . GLN B 2 37 ? -6.195 -8.099 26.993 1.00 91.78 37 B 1 ATOM 1233 N N . LYS B 2 38 ? -1.740 -11.386 28.854 1.00 96.91 38 B 1 ATOM 1234 C CA . LYS B 2 38 ? -1.792 -11.884 30.225 1.00 96.46 38 B 1 ATOM 1235 C C . LYS B 2 38 ? -3.003 -11.293 30.954 1.00 95.93 38 B 1 ATOM 1236 O O . LYS B 2 38 ? -3.443 -10.194 30.600 1.00 94.38 38 B 1 ATOM 1237 C CB . LYS B 2 38 ? -0.478 -11.583 30.956 1.00 95.84 38 B 1 ATOM 1238 C CG . LYS B 2 38 ? 0.705 -12.323 30.317 1.00 93.72 38 B 1 ATOM 1239 C CD . LYS B 2 38 ? 2.001 -12.147 31.129 1.00 89.49 38 B 1 ATOM 1240 C CE . LYS B 2 38 ? 3.133 -12.894 30.415 1.00 83.56 38 B 1 ATOM 1241 N NZ . LYS B 2 38 ? 4.392 -12.915 31.190 1.00 75.78 38 B 1 ATOM 1242 N N . PRO B 2 39 ? -3.555 -11.962 31.970 1.00 94.27 39 B 1 ATOM 1243 C CA . PRO B 2 39 ? -4.692 -11.454 32.727 1.00 93.26 39 B 1 ATOM 1244 C C . PRO B 2 39 ? -4.461 -10.033 33.258 1.00 93.50 39 B 1 ATOM 1245 O O . PRO B 2 39 ? -3.433 -9.755 33.881 1.00 91.61 39 B 1 ATOM 1246 C CB . PRO B 2 39 ? -4.907 -12.455 33.874 1.00 91.03 39 B 1 ATOM 1247 C CG . PRO B 2 39 ? -4.348 -13.758 33.304 1.00 87.98 39 B 1 ATOM 1248 C CD . PRO B 2 39 ? -3.171 -13.289 32.442 1.00 91.57 39 B 1 ATOM 1249 N N . GLY B 2 40 ? -5.417 -9.135 32.999 1.00 91.79 40 B 1 ATOM 1250 C CA . GLY B 2 40 ? -5.359 -7.739 33.445 1.00 92.00 40 B 1 ATOM 1251 C C . GLY B 2 40 ? -4.331 -6.854 32.737 1.00 93.76 40 B 1 ATOM 1252 O O . GLY B 2 40 ? -4.133 -5.716 33.154 1.00 91.72 40 B 1 ATOM 1253 N N . GLN B 2 41 ? -3.673 -7.348 31.679 1.00 95.13 41 B 1 ATOM 1254 C CA . GLN B 2 41 ? -2.693 -6.583 30.910 1.00 95.62 41 B 1 ATOM 1255 C C . GLN B 2 41 ? -3.187 -6.306 29.486 1.00 96.45 41 B 1 ATOM 1256 O O . GLN B 2 41 ? -4.039 -7.020 28.951 1.00 95.77 41 B 1 ATOM 1257 C CB . GLN B 2 41 ? -1.337 -7.304 30.898 1.00 94.73 41 B 1 ATOM 1258 C CG . GLN B 2 41 ? -0.766 -7.475 32.312 1.00 91.82 41 B 1 ATOM 1259 C CD . GLN B 2 41 ? 0.655 -8.056 32.342 1.00 88.38 41 B 1 ATOM 1260 O OE1 . GLN B 2 41 ? 1.275 -8.347 31.329 1.00 80.49 41 B 1 ATOM 1261 N NE2 . GLN B 2 41 ? 1.215 -8.252 33.512 1.00 77.92 41 B 1 ATOM 1262 N N . ALA B 2 42 ? -2.611 -5.288 28.870 1.00 96.76 42 B 1 ATOM 1263 C CA . ALA B 2 42 ? -2.772 -5.043 27.448 1.00 97.02 42 B 1 ATOM 1264 C C . ALA B 2 42 ? -2.142 -6.176 26.615 1.00 97.42 42 B 1 ATOM 1265 O O . ALA B 2 42 ? -1.195 -6.827 27.072 1.00 96.73 42 B 1 ATOM 1266 C CB . ALA B 2 42 ? -2.150 -3.688 27.103 1.00 96.05 42 B 1 ATOM 1267 N N . PRO B 2 43 ? -2.629 -6.414 25.387 1.00 97.63 43 B 1 ATOM 1268 C CA . PRO B 2 43 ? -1.974 -7.319 24.453 1.00 97.63 43 B 1 ATOM 1269 C C . PRO B 2 43 ? -0.547 -6.873 24.131 1.00 97.48 43 B 1 ATOM 1270 O O . PRO B 2 43 ? -0.228 -5.688 24.117 1.00 96.28 43 B 1 ATOM 1271 C CB . PRO B 2 43 ? -2.852 -7.343 23.198 1.00 97.29 43 B 1 ATOM 1272 C CG . PRO B 2 43 ? -4.210 -6.860 23.699 1.00 95.92 43 B 1 ATOM 1273 C CD . PRO B 2 43 ? -3.852 -5.879 24.807 1.00 97.42 43 B 1 ATOM 1274 N N . ARG B 2 44 ? 0.314 -7.844 23.813 1.00 96.75 44 B 1 ATOM 1275 C CA . ARG B 2 44 ? 1.684 -7.614 23.348 1.00 96.54 44 B 1 ATOM 1276 C C . ARG B 2 44 ? 1.896 -8.328 22.020 1.00 96.81 44 B 1 ATOM 1277 O O . ARG B 2 44 ? 1.648 -9.530 21.941 1.00 96.16 44 B 1 ATOM 1278 C CB . ARG B 2 44 ? 2.665 -8.102 24.425 1.00 95.01 44 B 1 ATOM 1279 C CG . ARG B 2 44 ? 4.133 -7.919 24.001 1.00 87.13 44 B 1 ATOM 1280 C CD . ARG B 2 44 ? 5.091 -8.486 25.058 1.00 83.93 44 B 1 ATOM 1281 N NE . ARG B 2 44 ? 6.487 -8.389 24.609 1.00 73.79 44 B 1 ATOM 1282 C CZ . ARG B 2 44 ? 7.546 -8.926 25.203 1.00 68.45 44 B 1 ATOM 1283 N NH1 . ARG B 2 44 ? 7.427 -9.608 26.313 1.00 63.50 44 B 1 ATOM 1284 N NH2 . ARG B 2 44 ? 8.728 -8.788 24.684 1.00 57.64 44 B 1 ATOM 1285 N N . LEU B 2 45 ? 2.421 -7.630 21.014 1.00 96.21 45 B 1 ATOM 1286 C CA . LEU B 2 45 ? 2.837 -8.246 19.761 1.00 95.55 45 B 1 ATOM 1287 C C . LEU B 2 45 ? 4.026 -9.201 20.007 1.00 95.41 45 B 1 ATOM 1288 O O . LEU B 2 45 ? 5.018 -8.820 20.615 1.00 94.37 45 B 1 ATOM 1289 C CB . LEU B 2 45 ? 3.195 -7.140 18.754 1.00 94.15 45 B 1 ATOM 1290 C CG . LEU B 2 45 ? 3.575 -7.642 17.346 1.00 92.67 45 B 1 ATOM 1291 C CD1 . LEU B 2 45 ? 2.395 -8.277 16.608 1.00 90.43 45 B 1 ATOM 1292 C CD2 . LEU B 2 45 ? 4.068 -6.465 16.501 1.00 89.78 45 B 1 ATOM 1293 N N . LEU B 2 46 ? 3.907 -10.438 19.525 1.00 95.93 46 B 1 ATOM 1294 C CA . LEU B 2 46 ? 4.956 -11.461 19.581 1.00 95.49 46 B 1 ATOM 1295 C C . LEU B 2 46 ? 5.610 -11.679 18.230 1.00 94.52 46 B 1 ATOM 1296 O O . LEU B 2 46 ? 6.830 -11.774 18.128 1.00 91.99 46 B 1 ATOM 1297 C CB . LEU B 2 46 ? 4.350 -12.798 20.036 1.00 95.17 46 B 1 ATOM 1298 C CG . LEU B 2 46 ? 3.761 -12.857 21.449 1.00 92.15 46 B 1 ATOM 1299 C CD1 . LEU B 2 46 ? 3.245 -14.278 21.664 1.00 89.09 46 B 1 ATOM 1300 C CD2 . LEU B 2 46 ? 4.803 -12.538 22.515 1.00 88.48 46 B 1 ATOM 1301 N N . ILE B 2 47 ? 4.784 -11.825 17.185 1.00 93.96 47 B 1 ATOM 1302 C CA . ILE B 2 47 ? 5.201 -12.203 15.836 1.00 93.95 47 B 1 ATOM 1303 C C . ILE B 2 47 ? 4.474 -11.309 14.843 1.00 93.39 47 B 1 ATOM 1304 O O . ILE B 2 47 ? 3.254 -11.177 14.903 1.00 92.23 47 B 1 ATOM 1305 C CB . ILE B 2 47 ? 4.932 -13.699 15.576 1.00 94.08 47 B 1 ATOM 1306 C CG1 . ILE B 2 47 ? 5.872 -14.555 16.454 1.00 92.12 47 B 1 ATOM 1307 C CG2 . ILE B 2 47 ? 5.121 -14.061 14.086 1.00 92.24 47 B 1 ATOM 1308 C CD1 . ILE B 2 47 ? 5.637 -16.070 16.376 1.00 86.06 47 B 1 ATOM 1309 N N . TYR B 2 48 ? 5.249 -10.738 13.904 1.00 89.57 48 B 1 ATOM 1310 C CA . TYR B 2 48 ? 4.759 -10.021 12.737 1.00 87.19 48 B 1 ATOM 1311 C C . TYR B 2 48 ? 5.169 -10.751 11.458 1.00 86.34 48 B 1 ATOM 1312 O O . TYR B 2 48 ? 6.085 -11.584 11.473 1.00 84.67 48 B 1 ATOM 1313 C CB . TYR B 2 48 ? 5.243 -8.566 12.778 1.00 84.66 48 B 1 ATOM 1314 C CG . TYR B 2 48 ? 6.738 -8.387 12.637 1.00 82.64 48 B 1 ATOM 1315 C CD1 . TYR B 2 48 ? 7.590 -8.520 13.754 1.00 81.13 48 B 1 ATOM 1316 C CD2 . TYR B 2 48 ? 7.293 -8.073 11.381 1.00 80.71 48 B 1 ATOM 1317 C CE1 . TYR B 2 48 ? 8.973 -8.353 13.623 1.00 78.41 48 B 1 ATOM 1318 C CE2 . TYR B 2 48 ? 8.681 -7.899 11.243 1.00 77.84 48 B 1 ATOM 1319 C CZ . TYR B 2 48 ? 9.517 -8.044 12.368 1.00 78.66 48 B 1 ATOM 1320 O OH . TYR B 2 48 ? 10.876 -7.888 12.230 1.00 74.69 48 B 1 ATOM 1321 N N . ASP B 2 49 ? 4.463 -10.497 10.360 1.00 83.91 49 B 1 ATOM 1322 C CA . ASP B 2 49 ? 4.726 -11.103 9.055 1.00 82.87 49 B 1 ATOM 1323 C C . ASP B 2 49 ? 4.889 -12.639 9.110 1.00 84.41 49 B 1 ATOM 1324 O O . ASP B 2 49 ? 5.835 -13.212 8.570 1.00 82.55 49 B 1 ATOM 1325 C CB . ASP B 2 49 ? 5.892 -10.381 8.360 1.00 79.38 49 B 1 ATOM 1326 C CG . ASP B 2 49 ? 5.511 -9.007 7.791 1.00 74.03 49 B 1 ATOM 1327 O OD1 . ASP B 2 49 ? 4.305 -8.694 7.714 1.00 68.29 49 B 1 ATOM 1328 O OD2 . ASP B 2 49 ? 6.414 -8.310 7.296 1.00 68.59 49 B 1 ATOM 1329 N N . THR B 2 50 ? 3.974 -13.294 9.798 1.00 85.61 50 B 1 ATOM 1330 C CA . THR B 2 50 ? 3.897 -14.757 9.990 1.00 88.57 50 B 1 ATOM 1331 C C . THR B 2 50 ? 5.004 -15.364 10.861 1.00 90.49 50 B 1 ATOM 1332 O O . THR B 2 50 ? 4.707 -16.248 11.670 1.00 89.93 50 B 1 ATOM 1333 C CB . THR B 2 50 ? 3.823 -15.485 8.636 1.00 87.52 50 B 1 ATOM 1334 O OG1 . THR B 2 50 ? 2.776 -14.943 7.851 1.00 82.55 50 B 1 ATOM 1335 C CG2 . THR B 2 50 ? 3.577 -16.980 8.742 1.00 81.35 50 B 1 ATOM 1336 N N . SER B 2 51 ? 6.262 -14.967 10.684 1.00 86.80 51 B 1 ATOM 1337 C CA . SER B 2 51 ? 7.414 -15.706 11.219 1.00 86.22 51 B 1 ATOM 1338 C C . SER B 2 51 ? 8.494 -14.845 11.869 1.00 86.08 51 B 1 ATOM 1339 O O . SER B 2 51 ? 9.450 -15.380 12.437 1.00 84.02 51 B 1 ATOM 1340 C CB . SER B 2 51 ? 8.018 -16.556 10.102 1.00 84.70 51 B 1 ATOM 1341 O OG . SER B 2 51 ? 8.499 -15.746 9.055 1.00 78.96 51 B 1 ATOM 1342 N N . ASN B 2 52 ? 8.368 -13.518 11.817 1.00 85.73 52 B 1 ATOM 1343 C CA . ASN B 2 52 ? 9.344 -12.602 12.394 1.00 84.91 52 B 1 ATOM 1344 C C . ASN B 2 52 ? 9.044 -12.344 13.871 1.00 86.96 52 B 1 ATOM 1345 O O . ASN B 2 52 ? 7.971 -11.865 14.231 1.00 86.55 52 B 1 ATOM 1346 C CB . ASN B 2 52 ? 9.379 -11.309 11.578 1.00 81.20 52 B 1 ATOM 1347 C CG . ASN B 2 52 ? 9.876 -11.540 10.168 1.00 75.25 52 B 1 ATOM 1348 O OD1 . ASN B 2 52 ? 10.916 -12.134 9.938 1.00 66.67 52 B 1 ATOM 1349 N ND2 . ASN B 2 52 ? 9.142 -11.085 9.176 1.00 65.74 52 B 1 ATOM 1350 N N . LEU B 2 53 ? 10.011 -12.655 14.741 1.00 86.97 53 B 1 ATOM 1351 C CA . LEU B 2 53 ? 9.912 -12.354 16.163 1.00 87.64 53 B 1 ATOM 1352 C C . LEU B 2 53 ? 10.138 -10.864 16.414 1.00 87.15 53 B 1 ATOM 1353 O O . LEU B 2 53 ? 11.123 -10.306 15.945 1.00 85.10 53 B 1 ATOM 1354 C CB . LEU B 2 53 ? 10.949 -13.185 16.942 1.00 87.00 53 B 1 ATOM 1355 C CG . LEU B 2 53 ? 10.539 -14.653 17.124 1.00 83.19 53 B 1 ATOM 1356 C CD1 . LEU B 2 53 ? 11.762 -15.503 17.464 1.00 78.10 53 B 1 ATOM 1357 C CD2 . LEU B 2 53 ? 9.533 -14.820 18.256 1.00 78.74 53 B 1 ATOM 1358 N N . VAL B 2 54 ? 9.269 -10.268 17.222 1.00 88.41 54 B 1 ATOM 1359 C CA . VAL B 2 54 ? 9.483 -8.926 17.753 1.00 88.01 54 B 1 ATOM 1360 C C . VAL B 2 54 ? 10.716 -8.919 18.663 1.00 87.65 54 B 1 ATOM 1361 O O . VAL B 2 54 ? 11.013 -9.904 19.347 1.00 86.90 54 B 1 ATOM 1362 C CB . VAL B 2 54 ? 8.224 -8.424 18.488 1.00 87.58 54 B 1 ATOM 1363 C CG1 . VAL B 2 54 ? 8.417 -7.072 19.174 1.00 83.26 54 B 1 ATOM 1364 C CG2 . VAL B 2 54 ? 7.080 -8.272 17.491 1.00 83.74 54 B 1 ATOM 1365 N N . SER B 2 55 ? 11.449 -7.809 18.674 1.00 85.30 55 B 1 ATOM 1366 C CA . SER B 2 55 ? 12.613 -7.659 19.544 1.00 84.51 55 B 1 ATOM 1367 C C . SER B 2 55 ? 12.245 -7.881 21.015 1.00 86.27 55 B 1 ATOM 1368 O O . SER B 2 55 ? 11.231 -7.393 21.508 1.00 84.33 55 B 1 ATOM 1369 C CB . SER B 2 55 ? 13.237 -6.267 19.349 1.00 81.16 55 B 1 ATOM 1370 O OG . SER B 2 55 ? 14.457 -6.214 20.069 1.00 69.99 55 B 1 ATOM 1371 N N . GLY B 2 56 ? 13.066 -8.649 21.719 1.00 87.33 56 B 1 ATOM 1372 C CA . GLY B 2 56 ? 12.829 -9.014 23.119 1.00 89.16 56 B 1 ATOM 1373 C C . GLY B 2 56 ? 11.807 -10.134 23.348 1.00 91.77 56 B 1 ATOM 1374 O O . GLY B 2 56 ? 11.551 -10.487 24.497 1.00 90.00 56 B 1 ATOM 1375 N N . VAL B 2 57 ? 11.217 -10.716 22.291 1.00 92.37 57 B 1 ATOM 1376 C CA . VAL B 2 57 ? 10.433 -11.951 22.403 1.00 93.67 57 B 1 ATOM 1377 C C . VAL B 2 57 ? 11.389 -13.151 22.409 1.00 94.07 57 B 1 ATOM 1378 O O . VAL B 2 57 ? 12.250 -13.243 21.535 1.00 93.00 57 B 1 ATOM 1379 C CB . VAL B 2 57 ? 9.383 -12.074 21.282 1.00 93.63 57 B 1 ATOM 1380 C CG1 . VAL B 2 57 ? 8.594 -13.378 21.385 1.00 90.16 57 B 1 ATOM 1381 C CG2 . VAL B 2 57 ? 8.376 -10.920 21.376 1.00 89.67 57 B 1 ATOM 1382 N N . PRO B 2 58 ? 11.248 -14.096 23.369 1.00 94.73 58 B 1 ATOM 1383 C CA . PRO B 2 58 ? 12.135 -15.252 23.465 1.00 95.03 58 B 1 ATOM 1384 C C . PRO B 2 58 ? 12.108 -16.148 22.217 1.00 95.33 58 B 1 ATOM 1385 O O . PRO B 2 58 ? 11.055 -16.388 21.627 1.00 94.42 58 B 1 ATOM 1386 C CB . PRO B 2 58 ? 11.681 -16.015 24.706 1.00 94.26 58 B 1 ATOM 1387 C CG . PRO B 2 58 ? 10.994 -14.962 25.564 1.00 91.93 58 B 1 ATOM 1388 C CD . PRO B 2 58 ? 10.359 -14.055 24.525 1.00 94.28 58 B 1 ATOM 1389 N N . ALA B 2 59 ? 13.253 -16.747 21.865 1.00 93.81 59 B 1 ATOM 1390 C CA . ALA B 2 59 ? 13.398 -17.589 20.683 1.00 93.37 59 B 1 ATOM 1391 C C . ALA B 2 59 ? 12.569 -18.894 20.703 1.00 94.39 59 B 1 ATOM 1392 O O . ALA B 2 59 ? 12.430 -19.547 19.668 1.00 92.53 59 B 1 ATOM 1393 C CB . ALA B 2 59 ? 14.893 -17.888 20.498 1.00 91.12 59 B 1 ATOM 1394 N N . ARG B 2 60 ? 12.005 -19.270 21.836 1.00 96.07 60 B 1 ATOM 1395 C CA . ARG B 2 60 ? 11.075 -20.409 21.958 1.00 96.59 60 B 1 ATOM 1396 C C . ARG B 2 60 ? 9.760 -20.205 21.208 1.00 96.87 60 B 1 ATOM 1397 O O . ARG B 2 60 ? 9.120 -21.186 20.846 1.00 96.10 60 B 1 ATOM 1398 C CB . ARG B 2 60 ? 10.846 -20.745 23.441 1.00 95.74 60 B 1 ATOM 1399 C CG . ARG B 2 60 ? 10.137 -19.645 24.248 1.00 93.48 60 B 1 ATOM 1400 C CD . ARG B 2 60 ? 9.932 -20.077 25.695 1.00 94.19 60 B 1 ATOM 1401 N NE . ARG B 2 60 ? 9.272 -19.052 26.492 1.00 92.19 60 B 1 ATOM 1402 C CZ . ARG B 2 60 ? 9.813 -18.118 27.252 1.00 94.17 60 B 1 ATOM 1403 N NH1 . ARG B 2 60 ? 11.101 -17.944 27.347 1.00 83.47 60 B 1 ATOM 1404 N NH2 . ARG B 2 60 ? 9.059 -17.332 27.952 1.00 87.43 60 B 1 ATOM 1405 N N . PHE B 2 61 ? 9.391 -18.954 20.931 1.00 96.95 61 B 1 ATOM 1406 C CA . PHE B 2 61 ? 8.261 -18.623 20.080 1.00 96.82 61 B 1 ATOM 1407 C C . PHE B 2 61 ? 8.658 -18.694 18.599 1.00 96.24 61 B 1 ATOM 1408 O O . PHE B 2 61 ? 9.695 -18.184 18.191 1.00 94.97 61 B 1 ATOM 1409 C CB . PHE B 2 61 ? 7.693 -17.244 20.425 1.00 96.99 61 B 1 ATOM 1410 C CG . PHE B 2 61 ? 7.065 -17.178 21.798 1.00 97.18 61 B 1 ATOM 1411 C CD1 . PHE B 2 61 ? 5.690 -17.446 21.966 1.00 95.26 61 B 1 ATOM 1412 C CD2 . PHE B 2 61 ? 7.834 -16.837 22.919 1.00 95.56 61 B 1 ATOM 1413 C CE1 . PHE B 2 61 ? 5.101 -17.391 23.226 1.00 95.33 61 B 1 ATOM 1414 C CE2 . PHE B 2 61 ? 7.252 -16.783 24.194 1.00 95.16 61 B 1 ATOM 1415 C CZ . PHE B 2 61 ? 5.887 -17.063 24.342 1.00 96.42 61 B 1 ATOM 1416 N N . SER B 2 62 ? 7.808 -19.303 17.784 1.00 96.08 62 B 1 ATOM 1417 C CA . SER B 2 62 ? 7.954 -19.301 16.328 1.00 95.81 62 B 1 ATOM 1418 C C . SER B 2 62 ? 6.590 -19.308 15.652 1.00 96.31 62 B 1 ATOM 1419 O O . SER B 2 62 ? 5.635 -19.885 16.166 1.00 96.01 62 B 1 ATOM 1420 C CB . SER B 2 62 ? 8.811 -20.481 15.864 1.00 94.65 62 B 1 ATOM 1421 O OG . SER B 2 62 ? 8.234 -21.718 16.234 1.00 88.67 62 B 1 ATOM 1422 N N . GLY B 2 63 ? 6.499 -18.678 14.486 1.00 95.00 63 B 1 ATOM 1423 C CA . GLY B 2 63 ? 5.306 -18.654 13.658 1.00 94.59 63 B 1 ATOM 1424 C C . GLY B 2 63 ? 5.587 -19.237 12.279 1.00 94.03 63 B 1 ATOM 1425 O O . GLY B 2 63 ? 6.683 -19.079 11.732 1.00 92.23 63 B 1 ATOM 1426 N N . SER B 2 64 ? 4.593 -19.922 11.719 1.00 94.20 64 B 1 ATOM 1427 C CA . SER B 2 64 ? 4.650 -20.505 10.378 1.00 94.36 64 B 1 ATOM 1428 C C . SER B 2 64 ? 3.261 -20.511 9.745 1.00 95.02 64 B 1 ATOM 1429 O O . SER B 2 64 ? 2.266 -20.215 10.407 1.00 94.50 64 B 1 ATOM 1430 C CB . SER B 2 64 ? 5.233 -21.921 10.449 1.00 93.13 64 B 1 ATOM 1431 O OG . SER B 2 64 ? 4.415 -22.780 11.220 1.00 86.20 64 B 1 ATOM 1432 N N . GLY B 2 65 ? 3.190 -20.878 8.465 1.00 92.24 65 B 1 ATOM 1433 C CA . GLY B 2 65 ? 1.941 -21.022 7.733 1.00 91.97 65 B 1 ATOM 1434 C C . GLY B 2 65 ? 1.893 -20.187 6.458 1.00 91.11 65 B 1 ATOM 1435 O O . GLY B 2 65 ? 2.810 -19.409 6.160 1.00 87.70 65 B 1 ATOM 1436 N N . SER B 2 66 ? 0.824 -20.392 5.691 1.00 88.63 66 B 1 ATOM 1437 C CA . SER B 2 66 ? 0.555 -19.667 4.450 1.00 88.35 66 B 1 ATOM 1438 C C . SER B 2 66 ? -0.914 -19.833 4.042 1.00 89.21 66 B 1 ATOM 1439 O O . SER B 2 66 ? -1.588 -20.765 4.480 1.00 86.83 66 B 1 ATOM 1440 C CB . SER B 2 66 ? 1.456 -20.178 3.318 1.00 85.40 66 B 1 ATOM 1441 O OG . SER B 2 66 ? 1.239 -21.553 3.058 1.00 78.18 66 B 1 ATOM 1442 N N . GLY B 2 67 ? -1.400 -18.946 3.174 1.00 86.60 67 B 1 ATOM 1443 C CA . GLY B 2 67 ? -2.760 -19.049 2.653 1.00 86.46 67 B 1 ATOM 1444 C C . GLY B 2 67 ? -3.824 -18.871 3.736 1.00 87.72 67 B 1 ATOM 1445 O O . GLY B 2 67 ? -4.025 -17.757 4.218 1.00 85.81 67 B 1 ATOM 1446 N N . THR B 2 68 ? -4.509 -19.963 4.102 1.00 91.14 68 B 1 ATOM 1447 C CA . THR B 2 68 ? -5.579 -19.958 5.114 1.00 92.92 68 B 1 ATOM 1448 C C . THR B 2 68 ? -5.118 -20.436 6.482 1.00 94.24 68 B 1 ATOM 1449 O O . THR B 2 68 ? -5.781 -20.123 7.462 1.00 93.04 68 B 1 ATOM 1450 C CB . THR B 2 68 ? -6.762 -20.821 4.664 1.00 91.74 68 B 1 ATOM 1451 O OG1 . THR B 2 68 ? -6.335 -22.093 4.237 1.00 87.12 68 B 1 ATOM 1452 C CG2 . THR B 2 68 ? -7.489 -20.170 3.490 1.00 85.95 68 B 1 ATOM 1453 N N . ASP B 2 69 ? -4.007 -21.152 6.574 1.00 94.98 69 B 1 ATOM 1454 C CA . ASP B 2 69 ? -3.627 -21.885 7.775 1.00 95.57 69 B 1 ATOM 1455 C C . ASP B 2 69 ? -2.288 -21.422 8.335 1.00 95.65 69 B 1 ATOM 1456 O O . ASP B 2 69 ? -1.244 -21.491 7.676 1.00 94.24 69 B 1 ATOM 1457 C CB . ASP B 2 69 ? -3.657 -23.394 7.501 1.00 94.30 69 B 1 ATOM 1458 C CG . ASP B 2 69 ? -5.057 -23.832 7.082 1.00 86.02 69 B 1 ATOM 1459 O OD1 . ASP B 2 69 ? -5.954 -23.814 7.960 1.00 78.36 69 B 1 ATOM 1460 O OD2 . ASP B 2 69 ? -5.255 -24.090 5.881 1.00 76.78 69 B 1 ATOM 1461 N N . TYR B 2 70 ? -2.317 -20.970 9.587 1.00 96.70 70 B 1 ATOM 1462 C CA . TYR B 2 70 ? -1.162 -20.431 10.297 1.00 96.77 70 B 1 ATOM 1463 C C . TYR B 2 70 ? -1.033 -21.066 11.680 1.00 97.24 70 B 1 ATOM 1464 O O . TYR B 2 70 ? -2.024 -21.421 12.317 1.00 96.60 70 B 1 ATOM 1465 C CB . TYR B 2 70 ? -1.273 -18.909 10.394 1.00 95.45 70 B 1 ATOM 1466 C CG . TYR B 2 70 ? -1.188 -18.210 9.058 1.00 94.52 70 B 1 ATOM 1467 C CD1 . TYR B 2 70 ? 0.043 -17.701 8.601 1.00 91.14 70 B 1 ATOM 1468 C CD2 . TYR B 2 70 ? -2.331 -18.076 8.244 1.00 91.41 70 B 1 ATOM 1469 C CE1 . TYR B 2 70 ? 0.142 -17.060 7.359 1.00 89.87 70 B 1 ATOM 1470 C CE2 . TYR B 2 70 ? -2.246 -17.443 6.990 1.00 89.89 70 B 1 ATOM 1471 C CZ . TYR B 2 70 ? -1.009 -16.937 6.555 1.00 91.16 70 B 1 ATOM 1472 O OH . TYR B 2 70 ? -0.911 -16.321 5.340 1.00 89.03 70 B 1 ATOM 1473 N N . THR B 2 71 ? 0.199 -21.180 12.155 1.00 97.45 71 B 1 ATOM 1474 C CA . THR B 2 71 ? 0.521 -21.821 13.427 1.00 97.56 71 B 1 ATOM 1475 C C . THR B 2 71 ? 1.493 -20.978 14.243 1.00 97.59 71 B 1 ATOM 1476 O O . THR B 2 71 ? 2.521 -20.541 13.730 1.00 96.51 71 B 1 ATOM 1477 C CB . THR B 2 71 ? 1.087 -23.228 13.192 1.00 96.91 71 B 1 ATOM 1478 O OG1 . THR B 2 71 ? 0.193 -23.997 12.427 1.00 86.49 71 B 1 ATOM 1479 C CG2 . THR B 2 71 ? 1.313 -24.003 14.488 1.00 85.90 71 B 1 ATOM 1480 N N . LEU B 2 72 ? 1.192 -20.808 15.527 1.00 97.61 72 B 1 ATOM 1481 C CA . LEU B 2 72 ? 2.126 -20.354 16.548 1.00 97.82 72 B 1 ATOM 1482 C C . LEU B 2 72 ? 2.620 -21.576 17.331 1.00 97.95 72 B 1 ATOM 1483 O O . LEU B 2 72 ? 1.813 -22.359 17.829 1.00 97.53 72 B 1 ATOM 1484 C CB . LEU B 2 72 ? 1.436 -19.333 17.467 1.00 97.74 72 B 1 ATOM 1485 C CG . LEU B 2 72 ? 2.290 -18.844 18.652 1.00 97.21 72 B 1 ATOM 1486 C CD1 . LEU B 2 72 ? 3.477 -18.009 18.192 1.00 95.24 72 B 1 ATOM 1487 C CD2 . LEU B 2 72 ? 1.445 -17.976 19.582 1.00 95.08 72 B 1 ATOM 1488 N N . THR B 2 73 ? 3.932 -21.709 17.471 1.00 97.49 73 B 1 ATOM 1489 C CA . THR B 2 73 ? 4.553 -22.771 18.266 1.00 97.33 73 B 1 ATOM 1490 C C . THR B 2 73 ? 5.376 -22.156 19.392 1.00 97.38 73 B 1 ATOM 1491 O O . THR B 2 73 ? 6.171 -21.256 19.159 1.00 96.74 73 B 1 ATOM 1492 C CB . THR B 2 73 ? 5.426 -23.680 17.390 1.00 96.85 73 B 1 ATOM 1493 O OG1 . THR B 2 73 ? 4.673 -24.211 16.329 1.00 90.62 73 B 1 ATOM 1494 C CG2 . THR B 2 73 ? 5.998 -24.861 18.158 1.00 89.30 73 B 1 ATOM 1495 N N . ILE B 2 74 ? 5.205 -22.699 20.608 1.00 97.26 74 B 1 ATOM 1496 C CA . ILE B 2 74 ? 6.068 -22.435 21.765 1.00 97.20 74 B 1 ATOM 1497 C C . ILE B 2 74 ? 6.806 -23.735 22.056 1.00 97.11 74 B 1 ATOM 1498 O O . ILE B 2 74 ? 6.184 -24.735 22.404 1.00 96.33 74 B 1 ATOM 1499 C CB . ILE B 2 74 ? 5.260 -21.931 22.983 1.00 97.25 74 B 1 ATOM 1500 C CG1 . ILE B 2 74 ? 4.240 -20.826 22.610 1.00 96.21 74 B 1 ATOM 1501 C CG2 . ILE B 2 74 ? 6.253 -21.445 24.051 1.00 95.78 74 B 1 ATOM 1502 C CD1 . ILE B 2 74 ? 3.330 -20.396 23.759 1.00 94.39 74 B 1 ATOM 1503 N N . SER B 2 75 ? 8.123 -23.767 21.844 1.00 96.71 75 B 1 ATOM 1504 C CA . SER B 2 75 ? 8.890 -25.017 21.834 1.00 96.50 75 B 1 ATOM 1505 C C . SER B 2 75 ? 8.966 -25.710 23.195 1.00 96.55 75 B 1 ATOM 1506 O O . SER B 2 75 ? 8.960 -26.939 23.248 1.00 94.49 75 B 1 ATOM 1507 C CB . SER B 2 75 ? 10.301 -24.769 21.296 1.00 95.72 75 B 1 ATOM 1508 O OG . SER B 2 75 ? 10.988 -23.802 22.066 1.00 89.65 75 B 1 ATOM 1509 N N . SER B 2 76 ? 9.028 -24.926 24.261 1.00 96.60 76 B 1 ATOM 1510 C CA . SER B 2 76 ? 9.052 -25.370 25.650 1.00 96.76 76 B 1 ATOM 1511 C C . SER B 2 76 ? 8.410 -24.287 26.509 1.00 96.80 76 B 1 ATOM 1512 O O . SER B 2 76 ? 8.954 -23.185 26.589 1.00 95.35 76 B 1 ATOM 1513 C CB . SER B 2 76 ? 10.500 -25.609 26.081 1.00 95.52 76 B 1 ATOM 1514 O OG . SER B 2 76 ? 10.553 -26.064 27.414 1.00 86.92 76 B 1 ATOM 1515 N N . LEU B 2 77 ? 7.242 -24.567 27.071 1.00 96.43 77 B 1 ATOM 1516 C CA . LEU B 2 77 ? 6.480 -23.601 27.844 1.00 96.53 77 B 1 ATOM 1517 C C . LEU B 2 77 ? 7.200 -23.208 29.133 1.00 96.58 77 B 1 ATOM 1518 O O . LEU B 2 77 ? 7.573 -24.069 29.934 1.00 95.10 77 B 1 ATOM 1519 C CB . LEU B 2 77 ? 5.093 -24.167 28.172 1.00 95.64 77 B 1 ATOM 1520 C CG . LEU B 2 77 ? 4.084 -24.075 27.018 1.00 92.94 77 B 1 ATOM 1521 C CD1 . LEU B 2 77 ? 2.878 -24.957 27.319 1.00 89.08 77 B 1 ATOM 1522 C CD2 . LEU B 2 77 ? 3.584 -22.643 26.821 1.00 89.59 77 B 1 ATOM 1523 N N . GLU B 2 78 ? 7.320 -21.909 29.361 1.00 96.83 78 B 1 ATOM 1524 C CA . GLU B 2 78 ? 7.750 -21.358 30.641 1.00 96.53 78 B 1 ATOM 1525 C C . GLU B 2 78 ? 6.538 -20.838 31.433 1.00 96.54 78 B 1 ATOM 1526 O O . GLU B 2 78 ? 5.487 -20.554 30.848 1.00 95.25 78 B 1 ATOM 1527 C CB . GLU B 2 78 ? 8.818 -20.282 30.433 1.00 95.86 78 B 1 ATOM 1528 C CG . GLU B 2 78 ? 10.132 -20.907 29.950 1.00 90.87 78 B 1 ATOM 1529 C CD . GLU B 2 78 ? 11.301 -19.911 29.888 1.00 87.85 78 B 1 ATOM 1530 O OE1 . GLU B 2 78 ? 12.306 -20.260 29.229 1.00 79.13 78 B 1 ATOM 1531 O OE2 . GLU B 2 78 ? 11.200 -18.817 30.462 1.00 80.69 78 B 1 ATOM 1532 N N . PRO B 2 79 ? 6.645 -20.677 32.755 1.00 95.59 79 B 1 ATOM 1533 C CA . PRO B 2 79 ? 5.531 -20.201 33.578 1.00 94.99 79 B 1 ATOM 1534 C C . PRO B 2 79 ? 4.919 -18.867 33.125 1.00 95.02 79 B 1 ATOM 1535 O O . PRO B 2 79 ? 3.736 -18.622 33.320 1.00 93.61 79 B 1 ATOM 1536 C CB . PRO B 2 79 ? 6.112 -20.081 34.990 1.00 93.81 79 B 1 ATOM 1537 C CG . PRO B 2 79 ? 7.219 -21.134 35.008 1.00 91.81 79 B 1 ATOM 1538 C CD . PRO B 2 79 ? 7.775 -21.067 33.589 1.00 94.51 79 B 1 ATOM 1539 N N . GLU B 2 80 ? 5.727 -18.005 32.501 1.00 95.71 80 B 1 ATOM 1540 C CA . GLU B 2 80 ? 5.288 -16.718 31.975 1.00 95.49 80 B 1 ATOM 1541 C C . GLU B 2 80 ? 4.535 -16.796 30.635 1.00 96.02 80 B 1 ATOM 1542 O O . GLU B 2 80 ? 3.981 -15.789 30.207 1.00 94.87 80 B 1 ATOM 1543 C CB . GLU B 2 80 ? 6.505 -15.794 31.879 1.00 93.55 80 B 1 ATOM 1544 C CG . GLU B 2 80 ? 7.562 -16.323 30.898 1.00 86.04 80 B 1 ATOM 1545 C CD . GLU B 2 80 ? 8.968 -15.850 31.253 1.00 83.78 80 B 1 ATOM 1546 O OE1 . GLU B 2 80 ? 9.698 -15.489 30.313 1.00 76.53 80 B 1 ATOM 1547 O OE2 . GLU B 2 80 ? 9.282 -15.852 32.474 1.00 79.50 80 B 1 ATOM 1548 N N . ASP B 2 81 ? 4.479 -17.980 30.003 1.00 96.03 81 B 1 ATOM 1549 C CA . ASP B 2 81 ? 3.814 -18.200 28.721 1.00 96.58 81 B 1 ATOM 1550 C C . ASP B 2 81 ? 2.339 -18.594 28.873 1.00 96.79 81 B 1 ATOM 1551 O O . ASP B 2 81 ? 1.599 -18.611 27.889 1.00 95.57 81 B 1 ATOM 1552 C CB . ASP B 2 81 ? 4.550 -19.269 27.909 1.00 96.35 81 B 1 ATOM 1553 C CG . ASP B 2 81 ? 6.011 -18.926 27.624 1.00 96.20 81 B 1 ATOM 1554 O OD1 . ASP B 2 81 ? 6.367 -17.736 27.511 1.00 92.88 81 B 1 ATOM 1555 O OD2 . ASP B 2 81 ? 6.814 -19.867 27.441 1.00 93.31 81 B 1 ATOM 1556 N N . PHE B 2 82 ? 1.873 -18.890 30.085 1.00 95.71 82 B 1 ATOM 1557 C CA . PHE B 2 82 ? 0.468 -19.172 30.356 1.00 95.24 82 B 1 ATOM 1558 C C . PHE B 2 82 ? -0.357 -17.881 30.265 1.00 95.09 82 B 1 ATOM 1559 O O . PHE B 2 82 ? -0.343 -17.030 31.136 1.00 93.25 82 B 1 ATOM 1560 C CB . PHE B 2 82 ? 0.315 -19.899 31.697 1.00 93.90 82 B 1 ATOM 1561 C CG . PHE B 2 82 ? 0.958 -21.270 31.685 1.00 91.04 82 B 1 ATOM 1562 C CD1 . PHE B 2 82 ? 0.291 -22.358 31.105 1.00 84.57 82 B 1 ATOM 1563 C CD2 . PHE B 2 82 ? 2.253 -21.451 32.197 1.00 83.53 82 B 1 ATOM 1564 C CE1 . PHE B 2 82 ? 0.901 -23.626 31.054 1.00 82.50 82 B 1 ATOM 1565 C CE2 . PHE B 2 82 ? 2.875 -22.712 32.139 1.00 80.74 82 B 1 ATOM 1566 C CZ . PHE B 2 82 ? 2.197 -23.794 31.565 1.00 84.46 82 B 1 ATOM 1567 N N . ALA B 2 83 ? -1.046 -17.738 29.135 1.00 96.92 83 B 1 ATOM 1568 C CA . ALA B 2 83 ? -1.730 -16.531 28.705 1.00 97.24 83 B 1 ATOM 1569 C C . ALA B 2 83 ? -2.770 -16.865 27.620 1.00 97.64 83 B 1 ATOM 1570 O O . ALA B 2 83 ? -2.900 -18.004 27.180 1.00 96.99 83 B 1 ATOM 1571 C CB . ALA B 2 83 ? -0.671 -15.551 28.174 1.00 96.39 83 B 1 ATOM 1572 N N . VAL B 2 84 ? -3.504 -15.851 27.153 1.00 97.80 84 B 1 ATOM 1573 C CA . VAL B 2 84 ? -4.338 -15.960 25.952 1.00 98.18 84 B 1 ATOM 1574 C C . VAL B 2 84 ? -3.554 -15.445 24.751 1.00 98.20 84 B 1 ATOM 1575 O O . VAL B 2 84 ? -2.951 -14.374 24.809 1.00 97.94 84 B 1 ATOM 1576 C CB . VAL B 2 84 ? -5.685 -15.224 26.107 1.00 97.78 84 B 1 ATOM 1577 C CG1 . VAL B 2 84 ? -6.591 -15.509 24.901 1.00 95.44 84 B 1 ATOM 1578 C CG2 . VAL B 2 84 ? -6.426 -15.677 27.364 1.00 95.18 84 B 1 ATOM 1579 N N . TYR B 2 85 ? -3.579 -16.198 23.650 1.00 98.35 85 B 1 ATOM 1580 C CA . TYR B 2 85 ? -2.926 -15.858 22.390 1.00 98.44 85 B 1 ATOM 1581 C C . TYR B 2 85 ? -3.969 -15.566 21.317 1.00 98.47 85 B 1 ATOM 1582 O O . TYR B 2 85 ? -4.913 -16.334 21.143 1.00 98.05 85 B 1 ATOM 1583 C CB . TYR B 2 85 ? -1.994 -16.991 21.966 1.00 98.41 85 B 1 ATOM 1584 C CG . TYR B 2 85 ? -0.844 -17.187 22.922 1.00 98.46 85 B 1 ATOM 1585 C CD1 . TYR B 2 85 ? 0.364 -16.501 22.721 1.00 97.42 85 B 1 ATOM 1586 C CD2 . TYR B 2 85 ? -0.988 -18.022 24.051 1.00 97.54 85 B 1 ATOM 1587 C CE1 . TYR B 2 85 ? 1.422 -16.640 23.623 1.00 97.45 85 B 1 ATOM 1588 C CE2 . TYR B 2 85 ? 0.066 -18.165 24.967 1.00 97.22 85 B 1 ATOM 1589 C CZ . TYR B 2 85 ? 1.268 -17.469 24.749 1.00 97.97 85 B 1 ATOM 1590 O OH . TYR B 2 85 ? 2.295 -17.595 25.650 1.00 97.34 85 B 1 ATOM 1591 N N . TYR B 2 86 ? -3.791 -14.475 20.584 1.00 98.40 86 B 1 ATOM 1592 C CA . TYR B 2 86 ? -4.661 -14.061 19.488 1.00 98.35 86 B 1 ATOM 1593 C C . TYR B 2 86 ? -3.878 -14.012 18.186 1.00 98.23 86 B 1 ATOM 1594 O O . TYR B 2 86 ? -2.796 -13.432 18.145 1.00 97.98 86 B 1 ATOM 1595 C CB . TYR B 2 86 ? -5.281 -12.690 19.790 1.00 98.34 86 B 1 ATOM 1596 C CG . TYR B 2 86 ? -6.182 -12.689 21.003 1.00 98.34 86 B 1 ATOM 1597 C CD1 . TYR B 2 86 ? -7.531 -13.050 20.881 1.00 97.19 86 B 1 ATOM 1598 C CD2 . TYR B 2 86 ? -5.670 -12.328 22.268 1.00 97.31 86 B 1 ATOM 1599 C CE1 . TYR B 2 86 ? -8.374 -13.064 22.005 1.00 97.18 86 B 1 ATOM 1600 C CE2 . TYR B 2 86 ? -6.504 -12.346 23.401 1.00 97.02 86 B 1 ATOM 1601 C CZ . TYR B 2 86 ? -7.860 -12.721 23.267 1.00 97.70 86 B 1 ATOM 1602 O OH . TYR B 2 86 ? -8.675 -12.757 24.363 1.00 96.84 86 B 1 ATOM 1603 N N . CYS B 2 87 ? -4.444 -14.567 17.106 1.00 98.27 87 B 1 ATOM 1604 C CA . CYS B 2 87 ? -3.995 -14.252 15.762 1.00 98.14 87 B 1 ATOM 1605 C C . CYS B 2 87 ? -4.747 -13.026 15.232 1.00 97.97 87 B 1 ATOM 1606 O O . CYS B 2 87 ? -5.879 -12.757 15.645 1.00 97.39 87 B 1 ATOM 1607 C CB . CYS B 2 87 ? -4.115 -15.470 14.840 1.00 97.74 87 B 1 ATOM 1608 S SG . CYS B 2 87 ? -5.810 -16.073 14.600 1.00 96.68 87 B 1 ATOM 1609 N N . GLN B 2 88 ? -4.137 -12.291 14.298 1.00 96.88 88 B 1 ATOM 1610 C CA . GLN B 2 88 ? -4.751 -11.149 13.638 1.00 96.00 88 B 1 ATOM 1611 C C . GLN B 2 88 ? -4.379 -11.116 12.161 1.00 95.49 88 B 1 ATOM 1612 O O . GLN B 2 88 ? -3.230 -11.347 11.802 1.00 93.91 88 B 1 ATOM 1613 C CB . GLN B 2 88 ? -4.322 -9.850 14.327 1.00 94.57 88 B 1 ATOM 1614 C CG . GLN B 2 88 ? -5.096 -8.634 13.804 1.00 90.73 88 B 1 ATOM 1615 C CD . GLN B 2 88 ? -4.395 -7.303 14.059 1.00 87.68 88 B 1 ATOM 1616 O OE1 . GLN B 2 88 ? -3.308 -7.227 14.598 1.00 79.62 88 B 1 ATOM 1617 N NE2 . GLN B 2 88 ? -4.983 -6.210 13.635 1.00 76.69 88 B 1 ATOM 1618 N N . GLN B 2 89 ? -5.332 -10.764 11.318 1.00 92.54 89 B 1 ATOM 1619 C CA . GLN B 2 89 ? -5.083 -10.482 9.913 1.00 90.19 89 B 1 ATOM 1620 C C . GLN B 2 89 ? -5.152 -8.969 9.638 1.00 87.69 89 B 1 ATOM 1621 O O . GLN B 2 89 ? -6.016 -8.265 10.154 1.00 84.80 89 B 1 ATOM 1622 C CB . GLN B 2 89 ? -6.020 -11.318 9.020 1.00 88.60 89 B 1 ATOM 1623 C CG . GLN B 2 89 ? -7.497 -10.902 9.052 1.00 84.94 89 B 1 ATOM 1624 C CD . GLN B 2 89 ? -7.836 -9.699 8.182 1.00 85.85 89 B 1 ATOM 1625 O OE1 . GLN B 2 89 ? -7.162 -9.377 7.221 1.00 79.06 89 B 1 ATOM 1626 N NE2 . GLN B 2 89 ? -8.904 -9.001 8.485 1.00 78.30 89 B 1 ATOM 1627 N N . TRP B 2 90 ? -4.260 -8.512 8.767 1.00 83.39 90 B 1 ATOM 1628 C CA . TRP B 2 90 ? -4.223 -7.143 8.244 1.00 79.77 90 B 1 ATOM 1629 C C . TRP B 2 90 ? -4.604 -7.069 6.761 1.00 78.75 90 B 1 ATOM 1630 O O . TRP B 2 90 ? -4.532 -6.010 6.145 1.00 73.13 90 B 1 ATOM 1631 C CB . TRP B 2 90 ? -2.830 -6.567 8.485 1.00 76.04 90 B 1 ATOM 1632 C CG . TRP B 2 90 ? -2.473 -6.349 9.923 1.00 72.66 90 B 1 ATOM 1633 C CD1 . TRP B 2 90 ? -2.010 -7.271 10.782 1.00 63.30 90 B 1 ATOM 1634 C CD2 . TRP B 2 90 ? -2.521 -5.083 10.663 1.00 68.85 90 B 1 ATOM 1635 N NE1 . TRP B 2 90 ? -1.762 -6.683 12.017 1.00 61.27 90 B 1 ATOM 1636 C CE2 . TRP B 2 90 ? -2.060 -5.333 11.979 1.00 63.05 90 B 1 ATOM 1637 C CE3 . TRP B 2 90 ? -2.901 -3.772 10.335 1.00 60.17 90 B 1 ATOM 1638 C CZ2 . TRP B 2 90 ? -1.974 -4.313 12.941 1.00 57.95 90 B 1 ATOM 1639 C CZ3 . TRP B 2 90 ? -2.816 -2.755 11.289 1.00 56.07 90 B 1 ATOM 1640 C CH2 . TRP B 2 90 ? -2.365 -3.024 12.580 1.00 57.19 90 B 1 ATOM 1641 N N . ASN B 2 91 ? -4.998 -8.183 6.154 1.00 76.10 91 B 1 ATOM 1642 C CA . ASN B 2 91 ? -5.108 -8.334 4.698 1.00 73.44 91 B 1 ATOM 1643 C C . ASN B 2 91 ? -6.120 -7.372 4.066 1.00 73.37 91 B 1 ATOM 1644 O O . ASN B 2 91 ? -5.873 -6.827 2.993 1.00 69.46 91 B 1 ATOM 1645 C CB . ASN B 2 91 ? -5.474 -9.788 4.398 1.00 69.92 91 B 1 ATOM 1646 C CG . ASN B 2 91 ? -5.110 -10.191 2.982 1.00 64.92 91 B 1 ATOM 1647 O OD1 . ASN B 2 91 ? -3.978 -10.537 2.694 1.00 58.71 91 B 1 ATOM 1648 N ND2 . ASN B 2 91 ? -6.045 -10.199 2.065 1.00 59.26 91 B 1 ATOM 1649 N N . THR B 2 92 ? -7.263 -7.157 4.726 1.00 73.86 92 B 1 ATOM 1650 C CA . THR B 2 92 ? -8.276 -6.188 4.308 1.00 74.88 92 B 1 ATOM 1651 C C . THR B 2 92 ? -8.979 -5.611 5.537 1.00 77.78 92 B 1 ATOM 1652 O O . THR B 2 92 ? -9.128 -6.304 6.542 1.00 76.64 92 B 1 ATOM 1653 C CB . THR B 2 92 ? -9.364 -6.817 3.413 1.00 70.01 92 B 1 ATOM 1654 O OG1 . THR B 2 92 ? -10.087 -7.815 4.097 1.00 61.89 92 B 1 ATOM 1655 C CG2 . THR B 2 92 ? -8.811 -7.455 2.141 1.00 59.36 92 B 1 ATOM 1656 N N . TYR B 2 93 ? -9.498 -4.396 5.409 1.00 77.44 93 B 1 ATOM 1657 C CA . TYR B 2 93 ? -10.476 -3.889 6.365 1.00 79.03 93 B 1 ATOM 1658 C C . TYR B 2 93 ? -11.817 -4.647 6.269 1.00 80.78 93 B 1 ATOM 1659 O O . TYR B 2 93 ? -12.224 -5.044 5.178 1.00 80.22 93 B 1 ATOM 1660 C CB . TYR B 2 93 ? -10.685 -2.385 6.154 1.00 77.52 93 B 1 ATOM 1661 C CG . TYR B 2 93 ? -9.468 -1.561 6.485 1.00 76.80 93 B 1 ATOM 1662 C CD1 . TYR B 2 93 ? -9.092 -1.371 7.822 1.00 73.77 93 B 1 ATOM 1663 C CD2 . TYR B 2 93 ? -8.712 -0.973 5.458 1.00 74.50 93 B 1 ATOM 1664 C CE1 . TYR B 2 93 ? -7.962 -0.603 8.142 1.00 71.90 93 B 1 ATOM 1665 C CE2 . TYR B 2 93 ? -7.582 -0.204 5.767 1.00 71.28 93 B 1 ATOM 1666 C CZ . TYR B 2 93 ? -7.200 -0.013 7.108 1.00 73.15 93 B 1 ATOM 1667 O OH . TYR B 2 93 ? -6.100 0.734 7.416 1.00 68.09 93 B 1 ATOM 1668 N N . PRO B 2 94 ? -12.534 -4.809 7.410 1.00 83.23 94 B 1 ATOM 1669 C CA . PRO B 2 94 ? -12.049 -4.524 8.755 1.00 85.92 94 B 1 ATOM 1670 C C . PRO B 2 94 ? -10.949 -5.519 9.164 1.00 87.57 94 B 1 ATOM 1671 O O . PRO B 2 94 ? -10.990 -6.684 8.776 1.00 85.94 94 B 1 ATOM 1672 C CB . PRO B 2 94 ? -13.276 -4.650 9.654 1.00 83.75 94 B 1 ATOM 1673 C CG . PRO B 2 94 ? -14.109 -5.720 8.946 1.00 82.53 94 B 1 ATOM 1674 C CD . PRO B 2 94 ? -13.848 -5.440 7.470 1.00 85.07 94 B 1 ATOM 1675 N N . TYR B 2 95 ? -9.984 -5.074 9.949 1.00 87.11 95 B 1 ATOM 1676 C CA . TYR B 2 95 ? -9.032 -5.984 10.571 1.00 89.02 95 B 1 ATOM 1677 C C . TYR B 2 95 ? -9.752 -6.860 11.590 1.00 92.07 95 B 1 ATOM 1678 O O . TYR B 2 95 ? -10.708 -6.426 12.226 1.00 91.91 95 B 1 ATOM 1679 C CB . TYR B 2 95 ? -7.877 -5.223 11.219 1.00 85.92 95 B 1 ATOM 1680 C CG . TYR B 2 95 ? -7.095 -4.332 10.281 1.00 84.09 95 B 1 ATOM 1681 C CD1 . TYR B 2 95 ? -6.938 -4.667 8.926 1.00 78.71 95 B 1 ATOM 1682 C CD2 . TYR B 2 95 ? -6.502 -3.153 10.784 1.00 77.92 95 B 1 ATOM 1683 C CE1 . TYR B 2 95 ? -6.216 -3.827 8.068 1.00 74.26 95 B 1 ATOM 1684 C CE2 . TYR B 2 95 ? -5.774 -2.314 9.933 1.00 73.92 95 B 1 ATOM 1685 C CZ . TYR B 2 95 ? -5.640 -2.653 8.573 1.00 73.36 95 B 1 ATOM 1686 O OH . TYR B 2 95 ? -4.945 -1.829 7.748 1.00 68.53 95 B 1 ATOM 1687 N N . THR B 2 96 ? -9.320 -8.102 11.723 1.00 92.44 96 B 1 ATOM 1688 C CA . THR B 2 96 ? -9.990 -9.059 12.603 1.00 94.27 96 B 1 ATOM 1689 C C . THR B 2 96 ? -8.983 -9.850 13.416 1.00 95.07 96 B 1 ATOM 1690 O O . THR B 2 96 ? -7.895 -10.183 12.937 1.00 94.77 96 B 1 ATOM 1691 C CB . THR B 2 96 ? -10.918 -10.000 11.833 1.00 93.69 96 B 1 ATOM 1692 O OG1 . THR B 2 96 ? -10.259 -10.622 10.750 1.00 90.18 96 B 1 ATOM 1693 C CG2 . THR B 2 96 ? -12.117 -9.260 11.261 1.00 89.83 96 B 1 ATOM 1694 N N . PHE B 2 97 ? -9.376 -10.172 14.633 1.00 96.83 97 B 1 ATOM 1695 C CA . PHE B 2 97 ? -8.691 -11.109 15.509 1.00 97.37 97 B 1 ATOM 1696 C C . PHE B 2 97 ? -9.392 -12.464 15.495 1.00 97.61 97 B 1 ATOM 1697 O O . PHE B 2 97 ? -10.607 -12.552 15.290 1.00 97.02 97 B 1 ATOM 1698 C CB . PHE B 2 97 ? -8.625 -10.541 16.922 1.00 97.18 97 B 1 ATOM 1699 C CG . PHE B 2 97 ? -7.766 -9.305 17.056 1.00 97.17 97 B 1 ATOM 1700 C CD1 . PHE B 2 97 ? -6.405 -9.431 17.395 1.00 95.60 97 B 1 ATOM 1701 C CD2 . PHE B 2 97 ? -8.306 -8.025 16.858 1.00 95.87 97 B 1 ATOM 1702 C CE1 . PHE B 2 97 ? -5.596 -8.296 17.547 1.00 95.58 97 B 1 ATOM 1703 C CE2 . PHE B 2 97 ? -7.506 -6.884 17.002 1.00 95.36 97 B 1 ATOM 1704 C CZ . PHE B 2 97 ? -6.151 -7.016 17.350 1.00 96.23 97 B 1 ATOM 1705 N N . GLY B 2 98 ? -8.645 -13.530 15.764 1.00 97.61 98 B 1 ATOM 1706 C CA . GLY B 2 98 ? -9.225 -14.806 16.162 1.00 97.77 98 B 1 ATOM 1707 C C . GLY B 2 98 ? -9.871 -14.730 17.546 1.00 97.94 98 B 1 ATOM 1708 O O . GLY B 2 98 ? -9.640 -13.786 18.307 1.00 97.32 98 B 1 ATOM 1709 N N . GLY B 2 99 ? -10.655 -15.744 17.902 1.00 97.07 99 B 1 ATOM 1710 C CA . GLY B 2 99 ? -11.342 -15.810 19.196 1.00 96.89 99 B 1 ATOM 1711 C C . GLY B 2 99 ? -10.420 -15.995 20.409 1.00 97.45 99 B 1 ATOM 1712 O O . GLY B 2 99 ? -10.880 -15.892 21.547 1.00 95.45 99 B 1 ATOM 1713 N N . GLY B 2 100 ? -9.149 -16.262 20.171 1.00 97.53 100 B 1 ATOM 1714 C CA . GLY B 2 100 ? -8.143 -16.533 21.188 1.00 97.78 100 B 1 ATOM 1715 C C . GLY B 2 100 ? -7.993 -18.019 21.509 1.00 98.00 100 B 1 ATOM 1716 O O . GLY B 2 100 ? -8.937 -18.796 21.450 1.00 96.88 100 B 1 ATOM 1717 N N . THR B 2 101 ? -6.783 -18.402 21.891 1.00 97.83 101 B 1 ATOM 1718 C CA . THR B 2 101 ? -6.472 -19.686 22.526 1.00 97.97 101 B 1 ATOM 1719 C C . THR B 2 101 ? -5.904 -19.416 23.905 1.00 98.06 101 B 1 ATOM 1720 O O . THR B 2 101 ? -4.866 -18.762 24.029 1.00 97.54 101 B 1 ATOM 1721 C CB . THR B 2 101 ? -5.483 -20.514 21.696 1.00 97.62 101 B 1 ATOM 1722 O OG1 . THR B 2 101 ? -6.074 -20.893 20.478 1.00 95.05 101 B 1 ATOM 1723 C CG2 . THR B 2 101 ? -5.064 -21.809 22.403 1.00 94.93 101 B 1 ATOM 1724 N N . LYS B 2 102 ? -6.561 -19.929 24.940 1.00 97.49 102 B 1 ATOM 1725 C CA . LYS B 2 102 ? -6.045 -19.868 26.308 1.00 97.37 102 B 1 ATOM 1726 C C . LYS B 2 102 ? -5.076 -21.022 26.534 1.00 97.28 102 B 1 ATOM 1727 O O . LYS B 2 102 ? -5.471 -22.178 26.443 1.00 96.46 102 B 1 ATOM 1728 C CB . LYS B 2 102 ? -7.223 -19.907 27.292 1.00 96.76 102 B 1 ATOM 1729 C CG . LYS B 2 102 ? -6.770 -19.670 28.735 1.00 94.50 102 B 1 ATOM 1730 C CD . LYS B 2 102 ? -7.952 -19.852 29.701 1.00 90.93 102 B 1 ATOM 1731 C CE . LYS B 2 102 ? -7.486 -19.662 31.153 1.00 83.22 102 B 1 ATOM 1732 N NZ . LYS B 2 102 ? -8.377 -20.384 32.095 1.00 74.47 102 B 1 ATOM 1733 N N . VAL B 2 103 ? -3.839 -20.714 26.844 1.00 97.19 103 B 1 ATOM 1734 C CA . VAL B 2 103 ? -2.861 -21.699 27.316 1.00 97.13 103 B 1 ATOM 1735 C C . VAL B 2 103 ? -2.870 -21.652 28.841 1.00 96.88 103 B 1 ATOM 1736 O O . VAL B 2 103 ? -2.585 -20.607 29.428 1.00 95.56 103 B 1 ATOM 1737 C CB . VAL B 2 103 ? -1.450 -21.436 26.743 1.00 96.89 103 B 1 ATOM 1738 C CG1 . VAL B 2 103 ? -0.487 -22.529 27.179 1.00 93.94 103 B 1 ATOM 1739 C CG2 . VAL B 2 103 ? -1.487 -21.422 25.213 1.00 94.26 103 B 1 ATOM 1740 N N . GLU B 2 104 ? -3.241 -22.746 29.473 1.00 96.32 104 B 1 ATOM 1741 C CA . GLU B 2 104 ? -3.346 -22.856 30.927 1.00 95.65 104 B 1 ATOM 1742 C C . GLU B 2 104 ? -2.520 -24.024 31.471 1.00 95.50 104 B 1 ATOM 1743 O O . GLU B 2 104 ? -2.237 -24.989 30.759 1.00 93.94 104 B 1 ATOM 1744 C CB . GLU B 2 104 ? -4.817 -22.903 31.378 1.00 92.69 104 B 1 ATOM 1745 C CG . GLU B 2 104 ? -5.584 -24.165 30.953 1.00 86.38 104 B 1 ATOM 1746 C CD . GLU B 2 104 ? -7.075 -24.109 31.349 1.00 85.80 104 B 1 ATOM 1747 O OE1 . GLU B 2 104 ? -7.763 -25.140 31.198 1.00 79.08 104 B 1 ATOM 1748 O OE2 . GLU B 2 104 ? -7.551 -23.030 31.772 1.00 81.70 104 B 1 ATOM 1749 N N . ILE B 2 105 ? -2.100 -23.917 32.724 1.00 91.82 105 B 1 ATOM 1750 C CA . ILE B 2 105 ? -1.349 -24.964 33.415 1.00 91.03 105 B 1 ATOM 1751 C C . ILE B 2 105 ? -2.288 -26.150 33.658 1.00 90.44 105 B 1 ATOM 1752 O O . ILE B 2 105 ? -3.430 -25.966 34.086 1.00 88.07 105 B 1 ATOM 1753 C CB . ILE B 2 105 ? -0.715 -24.438 34.724 1.00 87.68 105 B 1 ATOM 1754 C CG1 . ILE B 2 105 ? 0.297 -23.327 34.408 1.00 81.65 105 B 1 ATOM 1755 C CG2 . ILE B 2 105 ? -0.025 -25.573 35.494 1.00 81.01 105 B 1 ATOM 1756 C CD1 . ILE B 2 105 ? 0.897 -22.612 35.642 1.00 75.19 105 B 1 ATOM 1757 N N . LYS B 2 106 ? -1.804 -27.346 33.364 1.00 87.71 106 B 1 ATOM 1758 C CA . LYS B 2 106 ? -2.496 -28.613 33.578 1.00 87.56 106 B 1 ATOM 1759 C C . LYS B 2 106 ? -2.489 -29.040 35.040 1.00 82.07 106 B 1 ATOM 1760 O O . LYS B 2 106 ? -1.454 -28.866 35.698 1.00 74.98 106 B 1 ATOM 1761 C CB . LYS B 2 106 ? -1.859 -29.686 32.695 1.00 81.63 106 B 1 ATOM 1762 C CG . LYS B 2 106 ? -2.642 -31.001 32.726 1.00 77.35 106 B 1 ATOM 1763 C CD . LYS B 2 106 ? -1.965 -32.010 31.812 1.00 74.99 106 B 1 ATOM 1764 C CE . LYS B 2 106 ? -2.724 -33.320 31.785 1.00 68.72 106 B 1 ATOM 1765 N NZ . LYS B 2 106 ? -2.043 -34.284 30.905 1.00 63.44 106 B 1 ATOM 1766 O OXT . LYS B 2 106 ? -3.534 -29.594 35.462 1.00 72.07 106 B 1 ATOM 1767 N N . ALA C 3 1 ? 24.011 -0.949 12.290 1.00 25.01 1 C 1 ATOM 1768 C CA . ALA C 3 1 ? 22.924 -0.155 11.708 1.00 26.33 1 C 1 ATOM 1769 C C . ALA C 3 1 ? 23.352 0.178 10.291 1.00 28.92 1 C 1 ATOM 1770 O O . ALA C 3 1 ? 24.420 0.757 10.137 1.00 27.40 1 C 1 ATOM 1771 C CB . ALA C 3 1 ? 22.690 1.104 12.552 1.00 24.33 1 C 1 ATOM 1772 N N . VAL C 3 2 ? 22.625 -0.274 9.279 1.00 34.18 2 C 1 ATOM 1773 C CA . VAL C 3 2 ? 22.929 0.102 7.892 1.00 33.74 2 C 1 ATOM 1774 C C . VAL C 3 2 ? 22.435 1.538 7.740 1.00 34.93 2 C 1 ATOM 1775 O O . VAL C 3 2 ? 21.241 1.754 7.559 1.00 32.95 2 C 1 ATOM 1776 C CB . VAL C 3 2 ? 22.305 -0.867 6.874 1.00 31.52 2 C 1 ATOM 1777 C CG1 . VAL C 3 2 ? 22.732 -0.522 5.451 1.00 29.06 2 C 1 ATOM 1778 C CG2 . VAL C 3 2 ? 22.722 -2.321 7.154 1.00 30.05 2 C 1 ATOM 1779 N N . ASN C 3 3 ? 23.314 2.502 7.932 1.00 34.65 3 C 1 ATOM 1780 C CA . ASN C 3 3 ? 23.013 3.938 7.877 1.00 35.76 3 C 1 ATOM 1781 C C . ASN C 3 3 ? 22.906 4.457 6.435 1.00 37.36 3 C 1 ATOM 1782 O O . ASN C 3 3 ? 22.816 5.663 6.248 1.00 35.14 3 C 1 ATOM 1783 C CB . ASN C 3 3 ? 24.103 4.713 8.651 1.00 33.36 3 C 1 ATOM 1784 C CG . ASN C 3 3 ? 23.877 4.830 10.144 1.00 29.95 3 C 1 ATOM 1785 O OD1 . ASN C 3 3 ? 22.909 4.379 10.719 1.00 27.84 3 C 1 ATOM 1786 N ND2 . ASN C 3 3 ? 24.802 5.471 10.834 1.00 28.11 3 C 1 ATOM 1787 N N . GLY C 3 4 ? 22.991 3.581 5.434 1.00 45.92 4 C 1 ATOM 1788 C CA . GLY C 3 4 ? 22.890 3.997 4.043 1.00 48.43 4 C 1 ATOM 1789 C C . GLY C 3 4 ? 21.516 4.597 3.766 1.00 51.44 4 C 1 ATOM 1790 O O . GLY C 3 4 ? 20.494 4.052 4.192 1.00 48.94 4 C 1 ATOM 1791 N N . THR C 3 5 ? 21.496 5.716 3.045 1.00 53.73 5 C 1 ATOM 1792 C CA . THR C 3 5 ? 20.263 6.307 2.524 1.00 58.13 5 C 1 ATOM 1793 C C . THR C 3 5 ? 19.610 5.331 1.552 1.00 62.66 5 C 1 ATOM 1794 O O . THR C 3 5 ? 20.065 5.137 0.432 1.00 59.19 5 C 1 ATOM 1795 C CB . THR C 3 5 ? 20.547 7.654 1.845 1.00 53.41 5 C 1 ATOM 1796 O OG1 . THR C 3 5 ? 21.837 7.689 1.275 1.00 47.82 5 C 1 ATOM 1797 C CG2 . THR C 3 5 ? 20.484 8.792 2.858 1.00 46.00 5 C 1 ATOM 1798 N N . SER C 3 6 ? 18.527 4.685 2.004 1.00 71.27 6 C 1 ATOM 1799 C CA . SER C 3 6 ? 17.701 3.845 1.156 1.00 74.12 6 C 1 ATOM 1800 C C . SER C 3 6 ? 16.645 4.722 0.477 1.00 77.41 6 C 1 ATOM 1801 O O . SER C 3 6 ? 15.873 5.401 1.155 1.00 74.93 6 C 1 ATOM 1802 C CB . SER C 3 6 ? 17.049 2.735 1.979 1.00 68.42 6 C 1 ATOM 1803 O OG . SER C 3 6 ? 16.234 1.914 1.162 1.00 62.18 6 C 1 ATOM 1804 N N . GLN C 3 7 ? 16.585 4.683 -0.848 1.00 84.23 7 C 1 ATOM 1805 C CA . GLN C 3 7 ? 15.541 5.323 -1.630 1.00 87.27 7 C 1 ATOM 1806 C C . GLN C 3 7 ? 14.673 4.257 -2.284 1.00 89.34 7 C 1 ATOM 1807 O O . GLN C 3 7 ? 15.163 3.408 -3.026 1.00 88.39 7 C 1 ATOM 1808 C CB . GLN C 3 7 ? 16.159 6.291 -2.640 1.00 83.51 7 C 1 ATOM 1809 C CG . GLN C 3 7 ? 15.070 7.120 -3.342 1.00 72.78 7 C 1 ATOM 1810 C CD . GLN C 3 7 ? 15.636 8.159 -4.317 1.00 66.50 7 C 1 ATOM 1811 O OE1 . GLN C 3 7 ? 16.822 8.234 -4.578 1.00 59.06 7 C 1 ATOM 1812 N NE2 . GLN C 3 7 ? 14.798 8.988 -4.892 1.00 55.50 7 C 1 ATOM 1813 N N . PHE C 3 8 ? 13.367 4.313 -2.023 1.00 89.16 8 C 1 ATOM 1814 C CA . PHE C 3 8 ? 12.394 3.404 -2.620 1.00 91.08 8 C 1 ATOM 1815 C C . PHE C 3 8 ? 11.317 4.210 -3.338 1.00 91.16 8 C 1 ATOM 1816 O O . PHE C 3 8 ? 10.517 4.890 -2.707 1.00 89.17 8 C 1 ATOM 1817 C CB . PHE C 3 8 ? 11.832 2.483 -1.532 1.00 90.70 8 C 1 ATOM 1818 C CG . PHE C 3 8 ? 10.817 1.470 -2.025 1.00 91.19 8 C 1 ATOM 1819 C CD1 . PHE C 3 8 ? 9.685 1.182 -1.249 1.00 86.75 8 C 1 ATOM 1820 C CD2 . PHE C 3 8 ? 11.014 0.788 -3.240 1.00 86.93 8 C 1 ATOM 1821 C CE1 . PHE C 3 8 ? 8.755 0.223 -1.680 1.00 88.21 8 C 1 ATOM 1822 C CE2 . PHE C 3 8 ? 10.083 -0.161 -3.678 1.00 87.00 8 C 1 ATOM 1823 C CZ . PHE C 3 8 ? 8.956 -0.449 -2.897 1.00 90.92 8 C 1 ATOM 1824 N N . THR C 3 9 ? 11.322 4.156 -4.661 1.00 92.38 9 C 1 ATOM 1825 C CA . THR C 3 9 ? 10.443 4.948 -5.523 1.00 91.90 9 C 1 ATOM 1826 C C . THR C 3 9 ? 9.646 4.034 -6.434 1.00 92.92 9 C 1 ATOM 1827 O O . THR C 3 9 ? 10.209 3.181 -7.113 1.00 92.75 9 C 1 ATOM 1828 C CB . THR C 3 9 ? 11.245 5.960 -6.354 1.00 90.01 9 C 1 ATOM 1829 O OG1 . THR C 3 9 ? 12.071 6.737 -5.520 1.00 82.21 9 C 1 ATOM 1830 C CG2 . THR C 3 9 ? 10.333 6.936 -7.095 1.00 79.80 9 C 1 ATOM 1831 N N . CYS C 3 10 ? 8.326 4.241 -6.477 1.00 92.09 10 C 1 ATOM 1832 C CA . CYS C 3 10 ? 7.426 3.485 -7.343 1.00 92.73 10 C 1 ATOM 1833 C C . CYS C 3 10 ? 6.516 4.424 -8.138 1.00 93.13 10 C 1 ATOM 1834 O O . CYS C 3 10 ? 6.178 5.514 -7.687 1.00 92.07 10 C 1 ATOM 1835 C CB . CYS C 3 10 ? 6.623 2.481 -6.514 1.00 93.10 10 C 1 ATOM 1836 S SG . CYS C 3 10 ? 7.619 1.227 -5.658 1.00 92.48 10 C 1 ATOM 1837 N N . PHE C 3 11 ? 6.105 3.972 -9.328 1.00 93.47 11 C 1 ATOM 1838 C CA . PHE C 3 11 ? 5.184 4.694 -10.203 1.00 93.72 11 C 1 ATOM 1839 C C . PHE C 3 11 ? 4.096 3.765 -10.729 1.00 93.84 11 C 1 ATOM 1840 O O . PHE C 3 11 ? 4.373 2.636 -11.135 1.00 92.71 11 C 1 ATOM 1841 C CB . PHE C 3 11 ? 5.946 5.327 -11.364 1.00 92.50 11 C 1 ATOM 1842 C CG . PHE C 3 11 ? 6.886 6.434 -10.954 1.00 88.27 11 C 1 ATOM 1843 C CD1 . PHE C 3 11 ? 6.378 7.698 -10.615 1.00 82.24 11 C 1 ATOM 1844 C CD2 . PHE C 3 11 ? 8.271 6.209 -10.898 1.00 81.61 11 C 1 ATOM 1845 C CE1 . PHE C 3 11 ? 7.242 8.734 -10.233 1.00 79.20 11 C 1 ATOM 1846 C CE2 . PHE C 3 11 ? 9.146 7.245 -10.516 1.00 79.30 11 C 1 ATOM 1847 C CZ . PHE C 3 11 ? 8.629 8.503 -10.183 1.00 83.36 11 C 1 ATOM 1848 N N . TYR C 3 12 ? 2.874 4.259 -10.781 1.00 92.84 12 C 1 ATOM 1849 C CA . TYR C 3 12 ? 1.728 3.555 -11.338 1.00 93.22 12 C 1 ATOM 1850 C C . TYR C 3 12 ? 1.460 4.012 -12.770 1.00 92.92 12 C 1 ATOM 1851 O O . TYR C 3 12 ? 1.342 5.202 -13.035 1.00 91.56 12 C 1 ATOM 1852 C CB . TYR C 3 12 ? 0.523 3.771 -10.429 1.00 93.01 12 C 1 ATOM 1853 C CG . TYR C 3 12 ? -0.746 3.089 -10.890 1.00 91.87 12 C 1 ATOM 1854 C CD1 . TYR C 3 12 ? -1.946 3.821 -11.003 1.00 83.78 12 C 1 ATOM 1855 C CD2 . TYR C 3 12 ? -0.755 1.714 -11.170 1.00 83.44 12 C 1 ATOM 1856 C CE1 . TYR C 3 12 ? -3.139 3.184 -11.380 1.00 84.78 12 C 1 ATOM 1857 C CE2 . TYR C 3 12 ? -1.939 1.071 -11.559 1.00 82.97 12 C 1 ATOM 1858 C CZ . TYR C 3 12 ? -3.128 1.806 -11.658 1.00 90.68 12 C 1 ATOM 1859 O OH . TYR C 3 12 ? -4.286 1.176 -12.013 1.00 89.70 12 C 1 ATOM 1860 N N . ASN C 3 13 ? 1.293 3.072 -13.700 1.00 89.47 13 C 1 ATOM 1861 C CA . ASN C 3 13 ? 1.004 3.409 -15.099 1.00 88.81 13 C 1 ATOM 1862 C C . ASN C 3 13 ? -0.484 3.718 -15.377 1.00 88.33 13 C 1 ATOM 1863 O O . ASN C 3 13 ? -0.891 3.772 -16.532 1.00 85.67 13 C 1 ATOM 1864 C CB . ASN C 3 13 ? 1.550 2.305 -16.028 1.00 87.83 13 C 1 ATOM 1865 C CG . ASN C 3 13 ? 0.654 1.083 -16.122 1.00 85.89 13 C 1 ATOM 1866 O OD1 . ASN C 3 13 ? -0.191 0.831 -15.275 1.00 81.81 13 C 1 ATOM 1867 N ND2 . ASN C 3 13 ? 0.786 0.319 -17.179 1.00 81.68 13 C 1 ATOM 1868 N N . SER C 3 14 ? -1.289 3.896 -14.337 1.00 87.54 14 C 1 ATOM 1869 C CA . SER C 3 14 ? -2.739 4.152 -14.360 1.00 87.99 14 C 1 ATOM 1870 C C . SER C 3 14 ? -3.653 2.951 -14.651 1.00 88.34 14 C 1 ATOM 1871 O O . SER C 3 14 ? -4.876 3.096 -14.590 1.00 85.46 14 C 1 ATOM 1872 C CB . SER C 3 14 ? -3.083 5.333 -15.267 1.00 87.37 14 C 1 ATOM 1873 O OG . SER C 3 14 ? -3.171 4.948 -16.625 1.00 86.00 14 C 1 ATOM 1874 N N . ARG C 3 15 ? -3.104 1.769 -14.922 1.00 86.53 15 C 1 ATOM 1875 C CA . ARG C 3 15 ? -3.881 0.560 -15.261 1.00 87.63 15 C 1 ATOM 1876 C C . ARG C 3 15 ? -3.546 -0.632 -14.367 1.00 86.75 15 C 1 ATOM 1877 O O . ARG C 3 15 ? -4.186 -0.804 -13.318 1.00 81.98 15 C 1 ATOM 1878 C CB . ARG C 3 15 ? -3.707 0.229 -16.760 1.00 85.86 15 C 1 ATOM 1879 C CG . ARG C 3 15 ? -4.323 1.258 -17.720 1.00 83.69 15 C 1 ATOM 1880 C CD . ARG C 3 15 ? -5.848 1.298 -17.607 1.00 80.45 15 C 1 ATOM 1881 N NE . ARG C 3 15 ? -6.430 1.997 -18.761 1.00 75.52 15 C 1 ATOM 1882 C CZ . ARG C 3 15 ? -7.683 1.913 -19.192 1.00 68.29 15 C 1 ATOM 1883 N NH1 . ARG C 3 15 ? -8.608 1.286 -18.519 1.00 62.14 15 C 1 ATOM 1884 N NH2 . ARG C 3 15 ? -8.011 2.461 -20.315 1.00 63.80 15 C 1 ATOM 1885 N N . ALA C 3 16 ? -2.579 -1.451 -14.757 1.00 87.48 16 C 1 ATOM 1886 C CA . ALA C 3 16 ? -2.287 -2.732 -14.121 1.00 87.80 16 C 1 ATOM 1887 C C . ALA C 3 16 ? -0.805 -2.965 -13.809 1.00 88.71 16 C 1 ATOM 1888 O O . ALA C 3 16 ? -0.394 -4.105 -13.601 1.00 86.71 16 C 1 ATOM 1889 C CB . ALA C 3 16 ? -2.890 -3.842 -14.999 1.00 86.44 16 C 1 ATOM 1890 N N . ASN C 3 17 ? 0.012 -1.913 -13.763 1.00 90.24 17 C 1 ATOM 1891 C CA . ASN C 3 17 ? 1.445 -2.032 -13.512 1.00 91.85 17 C 1 ATOM 1892 C C . ASN C 3 17 ? 1.942 -0.964 -12.522 1.00 92.49 17 C 1 ATOM 1893 O O . ASN C 3 17 ? 1.636 0.217 -12.676 1.00 91.90 17 C 1 ATOM 1894 C CB . ASN C 3 17 ? 2.195 -1.974 -14.849 1.00 90.42 17 C 1 ATOM 1895 C CG . ASN C 3 17 ? 3.669 -2.239 -14.672 1.00 81.95 17 C 1 ATOM 1896 O OD1 . ASN C 3 17 ? 4.435 -1.371 -14.319 1.00 71.94 17 C 1 ATOM 1897 N ND2 . ASN C 3 17 ? 4.104 -3.453 -14.890 1.00 70.75 17 C 1 ATOM 1898 N N . ILE C 3 18 ? 2.727 -1.403 -11.537 1.00 91.32 18 C 1 ATOM 1899 C CA . ILE C 3 18 ? 3.526 -0.530 -10.672 1.00 92.52 18 C 1 ATOM 1900 C C . ILE C 3 18 ? 4.995 -0.863 -10.918 1.00 92.39 18 C 1 ATOM 1901 O O . ILE C 3 18 ? 5.422 -1.997 -10.679 1.00 91.05 18 C 1 ATOM 1902 C CB . ILE C 3 18 ? 3.131 -0.680 -9.185 1.00 93.64 18 C 1 ATOM 1903 C CG1 . ILE C 3 18 ? 1.645 -0.326 -8.945 1.00 92.34 18 C 1 ATOM 1904 C CG2 . ILE C 3 18 ? 4.042 0.211 -8.317 1.00 91.69 18 C 1 ATOM 1905 C CD1 . ILE C 3 18 ? 1.142 -0.684 -7.536 1.00 90.62 18 C 1 ATOM 1906 N N . SER C 3 19 ? 5.769 0.114 -11.374 1.00 93.95 19 C 1 ATOM 1907 C CA . SER C 3 19 ? 7.213 -0.013 -11.545 1.00 93.47 19 C 1 ATOM 1908 C C . SER C 3 19 ? 7.922 0.528 -10.312 1.00 94.02 19 C 1 ATOM 1909 O O . SER C 3 19 ? 7.655 1.665 -9.924 1.00 92.98 19 C 1 ATOM 1910 C CB . SER C 3 19 ? 7.689 0.758 -12.778 1.00 91.59 19 C 1 ATOM 1911 O OG . SER C 3 19 ? 7.085 0.242 -13.947 1.00 75.53 19 C 1 ATOM 1912 N N . CYS C 3 20 ? 8.826 -0.244 -9.726 1.00 92.99 20 C 1 ATOM 1913 C CA . CYS C 3 20 ? 9.569 0.133 -8.535 1.00 93.09 20 C 1 ATOM 1914 C C . CYS C 3 20 ? 11.075 0.122 -8.789 1.00 93.13 20 C 1 ATOM 1915 O O . CYS C 3 20 ? 11.583 -0.768 -9.467 1.00 91.80 20 C 1 ATOM 1916 C CB . CYS C 3 20 ? 9.198 -0.799 -7.377 1.00 93.21 20 C 1 ATOM 1917 S SG . CYS C 3 20 ? 7.488 -0.600 -6.800 1.00 92.38 20 C 1 ATOM 1918 N N . VAL C 3 21 ? 11.766 1.093 -8.196 1.00 93.48 21 C 1 ATOM 1919 C CA . VAL C 3 21 ? 13.221 1.158 -8.112 1.00 92.91 21 C 1 ATOM 1920 C C . VAL C 3 21 ? 13.591 1.324 -6.648 1.00 92.78 21 C 1 ATOM 1921 O O . VAL C 3 21 ? 13.059 2.182 -5.954 1.00 92.21 21 C 1 ATOM 1922 C CB . VAL C 3 21 ? 13.798 2.311 -8.950 1.00 91.59 21 C 1 ATOM 1923 C CG1 . VAL C 3 21 ? 15.330 2.353 -8.855 1.00 83.70 21 C 1 ATOM 1924 C CG2 . VAL C 3 21 ? 13.428 2.157 -10.432 1.00 83.70 21 C 1 ATOM 1925 N N . TRP C 3 22 ? 14.501 0.491 -6.182 1.00 93.09 22 C 1 ATOM 1926 C CA . TRP C 3 22 ? 15.071 0.572 -4.846 1.00 92.54 22 C 1 ATOM 1927 C C . TRP C 3 22 ? 16.571 0.784 -4.953 1.00 91.92 22 C 1 ATOM 1928 O O . TRP C 3 22 ? 17.245 0.062 -5.686 1.00 90.52 22 C 1 ATOM 1929 C CB . TRP C 3 22 ? 14.724 -0.690 -4.067 1.00 91.65 22 C 1 ATOM 1930 C CG . TRP C 3 22 ? 15.305 -0.744 -2.692 1.00 90.64 22 C 1 ATOM 1931 C CD1 . TRP C 3 22 ? 15.156 0.186 -1.722 1.00 88.38 22 C 1 ATOM 1932 C CD2 . TRP C 3 22 ? 16.148 -1.793 -2.112 1.00 89.70 22 C 1 ATOM 1933 N NE1 . TRP C 3 22 ? 15.818 -0.216 -0.581 1.00 87.57 22 C 1 ATOM 1934 C CE2 . TRP C 3 22 ? 16.431 -1.432 -0.771 1.00 88.34 22 C 1 ATOM 1935 C CE3 . TRP C 3 22 ? 16.663 -3.006 -2.603 1.00 87.76 22 C 1 ATOM 1936 C CZ2 . TRP C 3 22 ? 17.180 -2.273 0.085 1.00 86.57 22 C 1 ATOM 1937 C CZ3 . TRP C 3 22 ? 17.410 -3.837 -1.762 1.00 86.57 22 C 1 ATOM 1938 C CH2 . TRP C 3 22 ? 17.667 -3.477 -0.428 1.00 86.05 22 C 1 ATOM 1939 N N . SER C 3 23 ? 17.088 1.774 -4.239 1.00 91.47 23 C 1 ATOM 1940 C CA . SER C 3 23 ? 18.512 2.066 -4.159 1.00 89.97 23 C 1 ATOM 1941 C C . SER C 3 23 ? 18.956 2.029 -2.707 1.00 88.97 23 C 1 ATOM 1942 O O . SER C 3 23 ? 18.282 2.592 -1.839 1.00 86.55 23 C 1 ATOM 1943 C CB . SER C 3 23 ? 18.840 3.430 -4.786 1.00 87.48 23 C 1 ATOM 1944 O OG . SER C 3 23 ? 18.412 3.462 -6.143 1.00 75.62 23 C 1 ATOM 1945 N N . GLN C 3 24 ? 20.074 1.369 -2.436 1.00 86.20 24 C 1 ATOM 1946 C CA . GLN C 3 24 ? 20.652 1.308 -1.102 1.00 83.41 24 C 1 ATOM 1947 C C . GLN C 3 24 ? 22.169 1.203 -1.187 1.00 81.54 24 C 1 ATOM 1948 O O . GLN C 3 24 ? 22.705 0.374 -1.922 1.00 75.67 24 C 1 ATOM 1949 C CB . GLN C 3 24 ? 20.035 0.142 -0.317 1.00 79.49 24 C 1 ATOM 1950 C CG . GLN C 3 24 ? 20.616 0.044 1.102 1.00 73.28 24 C 1 ATOM 1951 C CD . GLN C 3 24 ? 19.789 -0.793 2.069 1.00 70.38 24 C 1 ATOM 1952 O OE1 . GLN C 3 24 ? 18.696 -1.232 1.805 1.00 63.77 24 C 1 ATOM 1953 N NE2 . GLN C 3 24 ? 20.288 -1.006 3.267 1.00 61.44 24 C 1 ATOM 1954 N N . ASP C 3 25 ? 22.845 2.015 -0.365 1.00 78.66 25 C 1 ATOM 1955 C CA . ASP C 3 25 ? 24.288 1.932 -0.216 1.00 75.17 25 C 1 ATOM 1956 C C . ASP C 3 25 ? 24.669 0.688 0.603 1.00 72.91 25 C 1 ATOM 1957 O O . ASP C 3 25 ? 24.139 0.433 1.688 1.00 65.72 25 C 1 ATOM 1958 C CB . ASP C 3 25 ? 24.823 3.210 0.450 1.00 70.94 25 C 1 ATOM 1959 C CG . ASP C 3 25 ? 24.587 4.471 -0.385 1.00 64.59 25 C 1 ATOM 1960 O OD1 . ASP C 3 25 ? 24.642 4.364 -1.626 1.00 58.11 25 C 1 ATOM 1961 O OD2 . ASP C 3 25 ? 24.349 5.529 0.241 1.00 57.93 25 C 1 ATOM 1962 N N . GLY C 3 26 ? 25.629 -0.089 0.105 1.00 68.84 26 C 1 ATOM 1963 C CA . GLY C 3 26 ? 26.198 -1.251 0.779 1.00 66.37 26 C 1 ATOM 1964 C C . GLY C 3 26 ? 26.044 -2.569 0.017 1.00 66.24 26 C 1 ATOM 1965 O O . GLY C 3 26 ? 25.319 -2.692 -0.966 1.00 61.19 26 C 1 ATOM 1966 N N . ALA C 3 27 ? 26.760 -3.590 0.491 1.00 58.15 27 C 1 ATOM 1967 C CA . ALA C 3 27 ? 26.845 -4.885 -0.167 1.00 57.11 27 C 1 ATOM 1968 C C . ALA C 3 27 ? 25.596 -5.738 0.111 1.00 60.33 27 C 1 ATOM 1969 O O . ALA C 3 27 ? 25.536 -6.464 1.095 1.00 56.45 27 C 1 ATOM 1970 C CB . ALA C 3 27 ? 28.144 -5.565 0.272 1.00 49.67 27 C 1 ATOM 1971 N N . LEU C 3 28 ? 24.636 -5.693 -0.805 1.00 64.31 28 C 1 ATOM 1972 C CA . LEU C 3 28 ? 23.507 -6.629 -0.870 1.00 63.10 28 C 1 ATOM 1973 C C . LEU C 3 28 ? 23.606 -7.574 -2.087 1.00 63.62 28 C 1 ATOM 1974 O O . LEU C 3 28 ? 22.609 -8.159 -2.487 1.00 59.92 28 C 1 ATOM 1975 C CB . LEU C 3 28 ? 22.189 -5.833 -0.853 1.00 58.79 28 C 1 ATOM 1976 C CG . LEU C 3 28 ? 21.864 -5.194 0.509 1.00 55.36 28 C 1 ATOM 1977 C CD1 . LEU C 3 28 ? 20.740 -4.181 0.333 1.00 53.24 28 C 1 ATOM 1978 C CD2 . LEU C 3 28 ? 21.392 -6.229 1.539 1.00 53.18 28 C 1 ATOM 1979 N N . GLN C 3 29 ? 24.793 -7.717 -2.674 1.00 63.54 29 C 1 ATOM 1980 C CA . GLN C 3 29 ? 25.004 -8.361 -3.976 1.00 62.68 29 C 1 ATOM 1981 C C . GLN C 3 29 ? 24.388 -9.761 -4.085 1.00 64.07 29 C 1 ATOM 1982 O O . GLN C 3 29 ? 23.679 -10.043 -5.045 1.00 58.60 29 C 1 ATOM 1983 C CB . GLN C 3 29 ? 26.509 -8.423 -4.283 1.00 56.88 29 C 1 ATOM 1984 C CG . GLN C 3 29 ? 27.090 -7.041 -4.625 1.00 51.64 29 C 1 ATOM 1985 C CD . GLN C 3 29 ? 28.571 -7.093 -5.015 1.00 46.05 29 C 1 ATOM 1986 O OE1 . GLN C 3 29 ? 29.275 -8.052 -4.799 1.00 42.95 29 C 1 ATOM 1987 N NE2 . GLN C 3 29 ? 29.089 -6.039 -5.588 1.00 40.55 29 C 1 ATOM 1988 N N . ASP C 3 30 ? 24.598 -10.615 -3.068 1.00 64.54 30 C 1 ATOM 1989 C CA . ASP C 3 30 ? 24.125 -12.011 -3.094 1.00 66.21 30 C 1 ATOM 1990 C C . ASP C 3 30 ? 22.787 -12.217 -2.371 1.00 69.62 30 C 1 ATOM 1991 O O . ASP C 3 30 ? 22.411 -13.343 -2.017 1.00 65.02 30 C 1 ATOM 1992 C CB . ASP C 3 30 ? 25.230 -12.924 -2.545 1.00 60.62 30 C 1 ATOM 1993 C CG . ASP C 3 30 ? 26.506 -12.898 -3.389 1.00 54.66 30 C 1 ATOM 1994 O OD1 . ASP C 3 30 ? 26.385 -12.797 -4.627 1.00 49.13 30 C 1 ATOM 1995 O OD2 . ASP C 3 30 ? 27.582 -12.994 -2.774 1.00 48.46 30 C 1 ATOM 1996 N N . THR C 3 31 ? 22.049 -11.148 -2.107 1.00 75.80 31 C 1 ATOM 1997 C CA . THR C 3 31 ? 20.786 -11.229 -1.366 1.00 77.85 31 C 1 ATOM 1998 C C . THR C 3 31 ? 19.602 -11.166 -2.323 1.00 80.48 31 C 1 ATOM 1999 O O . THR C 3 31 ? 19.420 -10.196 -3.037 1.00 78.22 31 C 1 ATOM 2000 C CB . THR C 3 31 ? 20.686 -10.136 -0.295 1.00 73.47 31 C 1 ATOM 2001 O OG1 . THR C 3 31 ? 21.850 -10.130 0.503 1.00 65.31 31 C 1 ATOM 2002 C CG2 . THR C 3 31 ? 19.521 -10.389 0.661 1.00 63.09 31 C 1 ATOM 2003 N N . SER C 3 32 ? 18.736 -12.197 -2.286 1.00 83.82 32 C 1 ATOM 2004 C CA . SER C 3 32 ? 17.460 -12.163 -3.006 1.00 85.30 32 C 1 ATOM 2005 C C . SER C 3 32 ? 16.507 -11.177 -2.327 1.00 86.46 32 C 1 ATOM 2006 O O . SER C 3 32 ? 16.200 -11.328 -1.141 1.00 84.89 32 C 1 ATOM 2007 C CB . SER C 3 32 ? 16.851 -13.566 -3.076 1.00 82.66 32 C 1 ATOM 2008 O OG . SER C 3 32 ? 15.573 -13.537 -3.673 1.00 70.36 32 C 1 ATOM 2009 N N . CYS C 3 33 ? 16.045 -10.189 -3.078 1.00 87.90 33 C 1 ATOM 2010 C CA . CYS C 3 33 ? 15.092 -9.195 -2.629 1.00 89.56 33 C 1 ATOM 2011 C C . CYS C 3 33 ? 13.859 -9.154 -3.543 1.00 90.84 33 C 1 ATOM 2012 O O . CYS C 3 33 ? 13.932 -9.434 -4.737 1.00 89.95 33 C 1 ATOM 2013 C CB . CYS C 3 33 ? 15.763 -7.817 -2.520 1.00 88.77 33 C 1 ATOM 2014 S SG . CYS C 3 33 ? 17.155 -7.731 -1.347 1.00 87.62 33 C 1 ATOM 2015 N N . GLN C 3 34 ? 12.720 -8.781 -2.974 1.00 90.56 34 C 1 ATOM 2016 C CA . GLN C 3 34 ? 11.469 -8.629 -3.698 1.00 90.95 34 C 1 ATOM 2017 C C . GLN C 3 34 ? 10.704 -7.399 -3.217 1.00 92.04 34 C 1 ATOM 2018 O O . GLN C 3 34 ? 10.830 -6.992 -2.063 1.00 92.04 34 C 1 ATOM 2019 C CB . GLN C 3 34 ? 10.625 -9.911 -3.595 1.00 88.14 34 C 1 ATOM 2020 C CG . GLN C 3 34 ? 10.190 -10.240 -2.159 1.00 81.31 34 C 1 ATOM 2021 C CD . GLN C 3 34 ? 9.330 -11.506 -2.051 1.00 80.05 34 C 1 ATOM 2022 O OE1 . GLN C 3 34 ? 8.994 -12.166 -3.020 1.00 71.47 34 C 1 ATOM 2023 N NE2 . GLN C 3 34 ? 8.918 -11.879 -0.859 1.00 68.77 34 C 1 ATOM 2024 N N . VAL C 3 35 ? 9.864 -6.836 -4.081 1.00 91.63 35 C 1 ATOM 2025 C CA . VAL C 3 35 ? 8.821 -5.901 -3.682 1.00 92.72 35 C 1 ATOM 2026 C C . VAL C 3 35 ? 7.541 -6.685 -3.435 1.00 92.42 35 C 1 ATOM 2027 O O . VAL C 3 35 ? 7.146 -7.512 -4.247 1.00 91.71 35 C 1 ATOM 2028 C CB . VAL C 3 35 ? 8.606 -4.768 -4.699 1.00 93.47 35 C 1 ATOM 2029 C CG1 . VAL C 3 35 ? 7.490 -3.813 -4.261 1.00 90.35 35 C 1 ATOM 2030 C CG2 . VAL C 3 35 ? 9.883 -3.946 -4.863 1.00 89.33 35 C 1 ATOM 2031 N N . HIS C 3 36 ? 6.891 -6.404 -2.316 1.00 92.00 36 C 1 ATOM 2032 C CA . HIS C 3 36 ? 5.573 -6.916 -1.973 1.00 90.37 36 C 1 ATOM 2033 C C . HIS C 3 36 ? 4.558 -5.763 -1.945 1.00 90.80 36 C 1 ATOM 2034 O O . HIS C 3 36 ? 4.768 -4.775 -1.251 1.00 90.83 36 C 1 ATOM 2035 C CB . HIS C 3 36 ? 5.651 -7.636 -0.620 1.00 87.68 36 C 1 ATOM 2036 C CG . HIS C 3 36 ? 4.323 -8.153 -0.159 1.00 80.92 36 C 1 ATOM 2037 N ND1 . HIS C 3 36 ? 3.508 -7.579 0.790 1.00 69.01 36 C 1 ATOM 2038 C CD2 . HIS C 3 36 ? 3.684 -9.260 -0.631 1.00 68.84 36 C 1 ATOM 2039 C CE1 . HIS C 3 36 ? 2.398 -8.320 0.888 1.00 65.32 36 C 1 ATOM 2040 N NE2 . HIS C 3 36 ? 2.475 -9.356 0.040 1.00 66.31 36 C 1 ATOM 2041 N N . ALA C 3 37 ? 3.469 -5.906 -2.700 1.00 90.57 37 C 1 ATOM 2042 C CA . ALA C 3 37 ? 2.373 -4.954 -2.788 1.00 89.91 37 C 1 ATOM 2043 C C . ALA C 3 37 ? 1.127 -5.507 -2.111 1.00 88.23 37 C 1 ATOM 2044 O O . ALA C 3 37 ? 0.659 -6.594 -2.450 1.00 85.91 37 C 1 ATOM 2045 C CB . ALA C 3 37 ? 2.087 -4.638 -4.255 1.00 90.76 37 C 1 ATOM 2046 N N . TRP C 3 38 ? 0.561 -4.719 -1.200 1.00 85.18 38 C 1 ATOM 2047 C CA . TRP C 3 38 ? -0.614 -5.120 -0.432 1.00 83.17 38 C 1 ATOM 2048 C C . TRP C 3 38 ? -1.636 -3.981 -0.349 1.00 84.71 38 C 1 ATOM 2049 O O . TRP C 3 38 ? -1.514 -3.085 0.491 1.00 83.05 38 C 1 ATOM 2050 C CB . TRP C 3 38 ? -0.138 -5.621 0.924 1.00 77.32 38 C 1 ATOM 2051 C CG . TRP C 3 38 ? -1.041 -6.588 1.611 1.00 69.77 38 C 1 ATOM 2052 C CD1 . TRP C 3 38 ? -2.247 -7.023 1.201 1.00 60.90 38 C 1 ATOM 2053 C CD2 . TRP C 3 38 ? -0.761 -7.276 2.867 1.00 63.93 38 C 1 ATOM 2054 N NE1 . TRP C 3 38 ? -2.747 -7.931 2.114 1.00 56.29 38 C 1 ATOM 2055 C CE2 . TRP C 3 38 ? -1.865 -8.103 3.154 1.00 58.51 38 C 1 ATOM 2056 C CE3 . TRP C 3 38 ? 0.312 -7.260 3.779 1.00 54.90 38 C 1 ATOM 2057 C CZ2 . TRP C 3 38 ? -1.912 -8.889 4.321 1.00 53.78 38 C 1 ATOM 2058 C CZ3 . TRP C 3 38 ? 0.262 -8.029 4.932 1.00 52.17 38 C 1 ATOM 2059 C CH2 . TRP C 3 38 ? -0.835 -8.832 5.206 1.00 51.58 38 C 1 ATOM 2060 N N . PRO C 3 39 ? -2.659 -3.971 -1.214 1.00 80.63 39 C 1 ATOM 2061 C CA . PRO C 3 39 ? -3.688 -2.944 -1.206 1.00 79.61 39 C 1 ATOM 2062 C C . PRO C 3 39 ? -4.576 -3.016 0.042 1.00 78.98 39 C 1 ATOM 2063 O O . PRO C 3 39 ? -4.924 -4.099 0.502 1.00 76.32 39 C 1 ATOM 2064 C CB . PRO C 3 39 ? -4.519 -3.147 -2.479 1.00 78.13 39 C 1 ATOM 2065 C CG . PRO C 3 39 ? -3.641 -4.028 -3.351 1.00 75.95 39 C 1 ATOM 2066 C CD . PRO C 3 39 ? -2.842 -4.850 -2.356 1.00 79.64 39 C 1 ATOM 2067 N N . ASP C 3 40 ? -4.967 -1.872 0.571 1.00 78.56 40 C 1 ATOM 2068 C CA . ASP C 3 40 ? -5.750 -1.790 1.807 1.00 74.13 40 C 1 ATOM 2069 C C . ASP C 3 40 ? -7.231 -2.170 1.640 1.00 73.04 40 C 1 ATOM 2070 O O . ASP C 3 40 ? -7.861 -2.644 2.586 1.00 68.23 40 C 1 ATOM 2071 C CB . ASP C 3 40 ? -5.570 -0.396 2.430 1.00 69.99 40 C 1 ATOM 2072 C CG . ASP C 3 40 ? -6.291 0.738 1.701 1.00 63.23 40 C 1 ATOM 2073 O OD1 . ASP C 3 40 ? -6.500 0.611 0.475 1.00 56.93 40 C 1 ATOM 2074 O OD2 . ASP C 3 40 ? -6.662 1.714 2.388 1.00 59.38 40 C 1 ATOM 2075 N N . ARG C 3 41 ? -7.770 -2.050 0.431 1.00 72.39 41 C 1 ATOM 2076 C CA . ARG C 3 41 ? -9.185 -2.304 0.096 1.00 70.77 41 C 1 ATOM 2077 C C . ARG C 3 41 ? -9.396 -3.472 -0.878 1.00 70.50 41 C 1 ATOM 2078 O O . ARG C 3 41 ? -10.489 -3.648 -1.414 1.00 65.80 41 C 1 ATOM 2079 C CB . ARG C 3 41 ? -9.815 -1.009 -0.435 1.00 67.71 41 C 1 ATOM 2080 C CG . ARG C 3 41 ? -9.815 0.084 0.647 1.00 63.57 41 C 1 ATOM 2081 C CD . ARG C 3 41 ? -10.412 1.381 0.110 1.00 59.94 41 C 1 ATOM 2082 N NE . ARG C 3 41 ? -10.439 2.392 1.176 1.00 55.30 41 C 1 ATOM 2083 C CZ . ARG C 3 41 ? -11.103 3.527 1.166 1.00 50.30 41 C 1 ATOM 2084 N NH1 . ARG C 3 41 ? -11.785 3.919 0.129 1.00 46.64 41 C 1 ATOM 2085 N NH2 . ARG C 3 41 ? -11.080 4.271 2.221 1.00 44.49 41 C 1 ATOM 2086 N N . ARG C 3 42 ? -8.349 -4.251 -1.137 1.00 68.62 42 C 1 ATOM 2087 C CA . ARG C 3 42 ? -8.383 -5.354 -2.106 1.00 67.52 42 C 1 ATOM 2088 C C . ARG C 3 42 ? -7.984 -6.669 -1.426 1.00 65.23 42 C 1 ATOM 2089 O O . ARG C 3 42 ? -7.158 -6.684 -0.524 1.00 61.03 42 C 1 ATOM 2090 C CB . ARG C 3 42 ? -7.465 -5.044 -3.305 1.00 67.74 42 C 1 ATOM 2091 C CG . ARG C 3 42 ? -7.707 -3.682 -3.992 1.00 68.25 42 C 1 ATOM 2092 C CD . ARG C 3 42 ? -9.076 -3.581 -4.643 1.00 65.44 42 C 1 ATOM 2093 N NE . ARG C 3 42 ? -9.270 -2.238 -5.217 1.00 67.14 42 C 1 ATOM 2094 C CZ . ARG C 3 42 ? -10.318 -1.798 -5.888 1.00 64.16 42 C 1 ATOM 2095 N NH1 . ARG C 3 42 ? -11.341 -2.571 -6.143 1.00 58.94 42 C 1 ATOM 2096 N NH2 . ARG C 3 42 ? -10.365 -0.566 -6.282 1.00 62.84 42 C 1 ATOM 2097 N N . ARG C 3 43 ? -8.566 -7.772 -1.892 1.00 67.33 43 C 1 ATOM 2098 C CA . ARG C 3 43 ? -8.285 -9.122 -1.378 1.00 65.36 43 C 1 ATOM 2099 C C . ARG C 3 43 ? -7.201 -9.844 -2.189 1.00 67.15 43 C 1 ATOM 2100 O O . ARG C 3 43 ? -7.309 -11.042 -2.438 1.00 62.71 43 C 1 ATOM 2101 C CB . ARG C 3 43 ? -9.569 -9.951 -1.282 1.00 60.49 43 C 1 ATOM 2102 C CG . ARG C 3 43 ? -10.575 -9.385 -0.274 1.00 53.50 43 C 1 ATOM 2103 C CD . ARG C 3 43 ? -11.725 -10.376 -0.120 1.00 47.92 43 C 1 ATOM 2104 N NE . ARG C 3 43 ? -12.720 -9.909 0.853 1.00 42.34 43 C 1 ATOM 2105 C CZ . ARG C 3 43 ? -13.787 -10.577 1.263 1.00 36.65 43 C 1 ATOM 2106 N NH1 . ARG C 3 43 ? -14.058 -11.762 0.795 1.00 32.59 43 C 1 ATOM 2107 N NH2 . ARG C 3 43 ? -14.581 -10.063 2.140 1.00 32.01 43 C 1 ATOM 2108 N N . TRP C 3 44 ? -6.197 -9.121 -2.630 1.00 68.29 44 C 1 ATOM 2109 C CA . TRP C 3 44 ? -5.069 -9.698 -3.344 1.00 68.36 44 C 1 ATOM 2110 C C . TRP C 3 44 ? -3.781 -9.024 -2.892 1.00 69.09 44 C 1 ATOM 2111 O O . TRP C 3 44 ? -3.785 -7.905 -2.384 1.00 67.73 44 C 1 ATOM 2112 C CB . TRP C 3 44 ? -5.279 -9.576 -4.857 1.00 68.41 44 C 1 ATOM 2113 C CG . TRP C 3 44 ? -5.490 -8.195 -5.401 1.00 70.96 44 C 1 ATOM 2114 C CD1 . TRP C 3 44 ? -6.691 -7.651 -5.732 1.00 66.31 44 C 1 ATOM 2115 C CD2 . TRP C 3 44 ? -4.496 -7.163 -5.706 1.00 71.62 44 C 1 ATOM 2116 N NE1 . TRP C 3 44 ? -6.512 -6.368 -6.215 1.00 64.79 44 C 1 ATOM 2117 C CE2 . TRP C 3 44 ? -5.180 -6.021 -6.212 1.00 68.67 44 C 1 ATOM 2118 C CE3 . TRP C 3 44 ? -3.093 -7.098 -5.602 1.00 67.31 44 C 1 ATOM 2119 C CZ2 . TRP C 3 44 ? -4.489 -4.842 -6.580 1.00 66.49 44 C 1 ATOM 2120 C CZ3 . TRP C 3 44 ? -2.416 -5.928 -5.965 1.00 64.31 44 C 1 ATOM 2121 C CH2 . TRP C 3 44 ? -3.109 -4.816 -6.444 1.00 63.93 44 C 1 ATOM 2122 N N . ASN C 3 45 ? -2.674 -9.714 -3.087 1.00 75.46 45 C 1 ATOM 2123 C CA . ASN C 3 45 ? -1.331 -9.170 -3.002 1.00 75.72 45 C 1 ATOM 2124 C C . ASN C 3 45 ? -0.558 -9.555 -4.265 1.00 78.57 45 C 1 ATOM 2125 O O . ASN C 3 45 ? -0.977 -10.420 -5.032 1.00 76.44 45 C 1 ATOM 2126 C CB . ASN C 3 45 ? -0.665 -9.637 -1.695 1.00 71.14 45 C 1 ATOM 2127 C CG . ASN C 3 45 ? -0.370 -11.134 -1.628 1.00 64.78 45 C 1 ATOM 2128 O OD1 . ASN C 3 45 ? -0.726 -11.933 -2.463 1.00 57.26 45 C 1 ATOM 2129 N ND2 . ASN C 3 45 ? 0.330 -11.553 -0.605 1.00 58.02 45 C 1 ATOM 2130 N N . GLN C 3 46 ? 0.574 -8.894 -4.489 1.00 80.97 46 C 1 ATOM 2131 C CA . GLN C 3 46 ? 1.445 -9.194 -5.623 1.00 84.40 46 C 1 ATOM 2132 C C . GLN C 3 46 ? 2.893 -9.004 -5.202 1.00 86.99 46 C 1 ATOM 2133 O O . GLN C 3 46 ? 3.213 -8.109 -4.421 1.00 86.44 46 C 1 ATOM 2134 C CB . GLN C 3 46 ? 1.056 -8.291 -6.806 1.00 82.93 46 C 1 ATOM 2135 C CG . GLN C 3 46 ? 1.781 -8.648 -8.110 1.00 76.42 46 C 1 ATOM 2136 C CD . GLN C 3 46 ? 1.505 -10.085 -8.551 1.00 74.68 46 C 1 ATOM 2137 O OE1 . GLN C 3 46 ? 0.383 -10.562 -8.558 1.00 67.43 46 C 1 ATOM 2138 N NE2 . GLN C 3 46 ? 2.517 -10.842 -8.904 1.00 63.48 46 C 1 ATOM 2139 N N . THR C 3 47 ? 3.776 -9.820 -5.759 1.00 87.25 47 C 1 ATOM 2140 C CA . THR C 3 47 ? 5.218 -9.676 -5.569 1.00 88.06 47 C 1 ATOM 2141 C C . THR C 3 47 ? 5.934 -9.552 -6.904 1.00 88.96 47 C 1 ATOM 2142 O O . THR C 3 47 ? 5.429 -9.993 -7.944 1.00 88.20 47 C 1 ATOM 2143 C CB . THR C 3 47 ? 5.810 -10.845 -4.753 1.00 85.22 47 C 1 ATOM 2144 O OG1 . THR C 3 47 ? 5.523 -12.080 -5.362 1.00 78.36 47 C 1 ATOM 2145 C CG2 . THR C 3 47 ? 5.240 -10.903 -3.342 1.00 77.10 47 C 1 ATOM 2146 N N . CYS C 3 48 ? 7.123 -8.941 -6.896 1.00 90.60 48 C 1 ATOM 2147 C CA . CYS C 3 48 ? 8.069 -8.991 -7.997 1.00 91.36 48 C 1 ATOM 2148 C C . CYS C 3 48 ? 9.494 -9.087 -7.456 1.00 91.98 48 C 1 ATOM 2149 O O . CYS C 3 48 ? 9.822 -8.439 -6.462 1.00 91.16 48 C 1 ATOM 2150 C CB . CYS C 3 48 ? 7.899 -7.785 -8.937 1.00 90.70 48 C 1 ATOM 2151 S SG . CYS C 3 48 ? 7.948 -6.117 -8.212 1.00 90.40 48 C 1 ATOM 2152 N N . GLU C 3 49 ? 10.319 -9.896 -8.099 1.00 89.63 49 C 1 ATOM 2153 C CA . GLU C 3 49 ? 11.731 -10.017 -7.766 1.00 89.88 49 C 1 ATOM 2154 C C . GLU C 3 49 ? 12.491 -8.768 -8.205 1.00 90.17 49 C 1 ATOM 2155 O O . GLU C 3 49 ? 12.315 -8.285 -9.322 1.00 89.07 49 C 1 ATOM 2156 C CB . GLU C 3 49 ? 12.284 -11.290 -8.416 1.00 87.51 49 C 1 ATOM 2157 C CG . GLU C 3 49 ? 13.736 -11.576 -7.998 1.00 77.14 49 C 1 ATOM 2158 C CD . GLU C 3 49 ? 14.257 -12.912 -8.546 1.00 71.48 49 C 1 ATOM 2159 O OE1 . GLU C 3 49 ? 15.340 -13.325 -8.078 1.00 63.31 49 C 1 ATOM 2160 O OE2 . GLU C 3 49 ? 13.579 -13.514 -9.401 1.00 66.42 49 C 1 ATOM 2161 N N . LEU C 3 50 ? 13.310 -8.223 -7.307 1.00 89.76 50 C 1 ATOM 2162 C CA . LEU C 3 50 ? 14.180 -7.092 -7.594 1.00 90.60 50 C 1 ATOM 2163 C C . LEU C 3 50 ? 15.424 -7.577 -8.336 1.00 90.09 50 C 1 ATOM 2164 O O . LEU C 3 50 ? 16.215 -8.356 -7.800 1.00 88.07 50 C 1 ATOM 2165 C CB . LEU C 3 50 ? 14.543 -6.374 -6.288 1.00 90.84 50 C 1 ATOM 2166 C CG . LEU C 3 50 ? 13.445 -5.423 -5.778 1.00 90.82 50 C 1 ATOM 2167 C CD1 . LEU C 3 50 ? 13.737 -5.015 -4.342 1.00 87.35 50 C 1 ATOM 2168 C CD2 . LEU C 3 50 ? 13.365 -4.143 -6.617 1.00 88.39 50 C 1 ATOM 2169 N N . LEU C 3 51 ? 15.615 -7.074 -9.546 1.00 90.01 51 C 1 ATOM 2170 C CA . LEU C 3 51 ? 16.769 -7.365 -10.385 1.00 88.98 51 C 1 ATOM 2171 C C . LEU C 3 51 ? 17.702 -6.152 -10.438 1.00 89.08 51 C 1 ATOM 2172 O O . LEU C 3 51 ? 17.223 -5.014 -10.487 1.00 88.81 51 C 1 ATOM 2173 C CB . LEU C 3 51 ? 16.305 -7.784 -11.788 1.00 87.73 51 C 1 ATOM 2174 C CG . LEU C 3 51 ? 15.457 -9.073 -11.815 1.00 84.41 51 C 1 ATOM 2175 C CD1 . LEU C 3 51 ? 15.021 -9.350 -13.251 1.00 79.55 51 C 1 ATOM 2176 C CD2 . LEU C 3 51 ? 16.223 -10.291 -11.301 1.00 79.08 51 C 1 ATOM 2177 N N . PRO C 3 52 ? 19.029 -6.360 -10.440 1.00 89.26 52 C 1 ATOM 2178 C CA . PRO C 3 52 ? 19.989 -5.262 -10.489 1.00 87.78 52 C 1 ATOM 2179 C C . PRO C 3 52 ? 19.892 -4.500 -11.817 1.00 87.55 52 C 1 ATOM 2180 O O . PRO C 3 52 ? 19.855 -5.094 -12.891 1.00 85.55 52 C 1 ATOM 2181 C CB . PRO C 3 52 ? 21.362 -5.908 -10.281 1.00 85.54 52 C 1 ATOM 2182 C CG . PRO C 3 52 ? 21.168 -7.336 -10.791 1.00 83.36 52 C 1 ATOM 2183 C CD . PRO C 3 52 ? 19.722 -7.643 -10.437 1.00 86.32 52 C 1 ATOM 2184 N N . VAL C 3 53 ? 19.881 -3.171 -11.729 1.00 87.05 53 C 1 ATOM 2185 C CA . VAL C 3 53 ? 19.939 -2.244 -12.877 1.00 85.14 53 C 1 ATOM 2186 C C . VAL C 3 53 ? 21.172 -1.351 -12.843 1.00 84.79 53 C 1 ATOM 2187 O O . VAL C 3 53 ? 21.569 -0.788 -13.854 1.00 81.43 53 C 1 ATOM 2188 C CB . VAL C 3 53 ? 18.661 -1.400 -12.995 1.00 83.87 53 C 1 ATOM 2189 C CG1 . VAL C 3 53 ? 17.444 -2.279 -13.300 1.00 75.39 53 C 1 ATOM 2190 C CG2 . VAL C 3 53 ? 18.371 -0.568 -11.738 1.00 76.86 53 C 1 ATOM 2191 N N . SER C 3 54 ? 21.802 -1.213 -11.669 1.00 85.09 54 C 1 ATOM 2192 C CA . SER C 3 54 ? 23.089 -0.566 -11.464 1.00 83.93 54 C 1 ATOM 2193 C C . SER C 3 54 ? 23.804 -1.215 -10.277 1.00 84.22 54 C 1 ATOM 2194 O O . SER C 3 54 ? 23.286 -2.145 -9.661 1.00 82.24 54 C 1 ATOM 2195 C CB . SER C 3 54 ? 22.892 0.938 -11.242 1.00 81.55 54 C 1 ATOM 2196 O OG . SER C 3 54 ? 22.446 1.200 -9.926 1.00 75.44 54 C 1 ATOM 2197 N N . GLN C 3 55 ? 24.984 -0.715 -9.914 1.00 83.34 55 C 1 ATOM 2198 C CA . GLN C 3 55 ? 25.767 -1.257 -8.804 1.00 81.21 55 C 1 ATOM 2199 C C . GLN C 3 55 ? 25.055 -1.177 -7.433 1.00 81.29 55 C 1 ATOM 2200 O O . GLN C 3 55 ? 25.302 -2.013 -6.572 1.00 76.60 55 C 1 ATOM 2201 C CB . GLN C 3 55 ? 27.109 -0.518 -8.777 1.00 77.85 55 C 1 ATOM 2202 C CG . GLN C 3 55 ? 28.127 -1.182 -7.836 1.00 68.52 55 C 1 ATOM 2203 C CD . GLN C 3 55 ? 29.494 -0.483 -7.870 1.00 62.09 55 C 1 ATOM 2204 O OE1 . GLN C 3 55 ? 29.682 0.550 -8.477 1.00 55.37 55 C 1 ATOM 2205 N NE2 . GLN C 3 55 ? 30.486 -1.029 -7.210 1.00 52.91 55 C 1 ATOM 2206 N N . ALA C 3 56 ? 24.187 -0.186 -7.233 1.00 83.58 56 C 1 ATOM 2207 C CA . ALA C 3 56 ? 23.487 0.065 -5.973 1.00 84.80 56 C 1 ATOM 2208 C C . ALA C 3 56 ? 21.969 0.243 -6.157 1.00 86.71 56 C 1 ATOM 2209 O O . ALA C 3 56 ? 21.299 0.816 -5.295 1.00 84.33 56 C 1 ATOM 2210 C CB . ALA C 3 56 ? 24.145 1.259 -5.288 1.00 81.87 56 C 1 ATOM 2211 N N . SER C 3 57 ? 21.412 -0.196 -7.285 1.00 87.59 57 C 1 ATOM 2212 C CA . SER C 3 57 ? 19.989 -0.050 -7.581 1.00 89.01 57 C 1 ATOM 2213 C C . SER C 3 57 ? 19.401 -1.307 -8.200 1.00 90.26 57 C 1 ATOM 2214 O O . SER C 3 57 ? 19.997 -1.935 -9.072 1.00 89.02 57 C 1 ATOM 2215 C CB . SER C 3 57 ? 19.717 1.145 -8.501 1.00 87.22 57 C 1 ATOM 2216 O OG . SER C 3 57 ? 20.203 2.346 -7.924 1.00 78.55 57 C 1 ATOM 2217 N N . TRP C 3 58 ? 18.187 -1.624 -7.774 1.00 90.74 58 C 1 ATOM 2218 C CA . TRP C 3 58 ? 17.393 -2.753 -8.229 1.00 91.35 58 C 1 ATOM 2219 C C . TRP C 3 58 ? 16.031 -2.260 -8.692 1.00 91.90 58 C 1 ATOM 2220 O O . TRP C 3 58 ? 15.494 -1.295 -8.160 1.00 91.12 58 C 1 ATOM 2221 C CB . TRP C 3 58 ? 17.249 -3.789 -7.105 1.00 90.52 58 C 1 ATOM 2222 C CG . TRP C 3 58 ? 18.530 -4.345 -6.579 1.00 89.40 58 C 1 ATOM 2223 C CD1 . TRP C 3 58 ? 19.082 -5.531 -6.927 1.00 83.90 58 C 1 ATOM 2224 C CD2 . TRP C 3 58 ? 19.450 -3.744 -5.619 1.00 86.70 58 C 1 ATOM 2225 N NE1 . TRP C 3 58 ? 20.282 -5.701 -6.267 1.00 82.85 58 C 1 ATOM 2226 C CE2 . TRP C 3 58 ? 20.563 -4.619 -5.469 1.00 84.73 58 C 1 ATOM 2227 C CE3 . TRP C 3 58 ? 19.465 -2.542 -4.895 1.00 82.96 58 C 1 ATOM 2228 C CZ2 . TRP C 3 58 ? 21.664 -4.295 -4.653 1.00 82.16 58 C 1 ATOM 2229 C CZ3 . TRP C 3 58 ? 20.559 -2.221 -4.076 1.00 80.49 58 C 1 ATOM 2230 C CH2 . TRP C 3 58 ? 21.652 -3.077 -3.964 1.00 79.77 58 C 1 ATOM 2231 N N . ALA C 3 59 ? 15.447 -2.955 -9.662 1.00 92.52 59 C 1 ATOM 2232 C CA . ALA C 3 59 ? 14.140 -2.620 -10.184 1.00 92.67 59 C 1 ATOM 2233 C C . ALA C 3 59 ? 13.271 -3.862 -10.386 1.00 92.50 59 C 1 ATOM 2234 O O . ALA C 3 59 ? 13.773 -4.955 -10.647 1.00 90.98 59 C 1 ATOM 2235 C CB . ALA C 3 59 ? 14.299 -1.815 -11.475 1.00 91.62 59 C 1 ATOM 2236 N N . CYS C 3 60 ? 11.956 -3.684 -10.292 1.00 90.68 60 C 1 ATOM 2237 C CA . CYS C 3 60 ? 10.990 -4.703 -10.682 1.00 90.96 60 C 1 ATOM 2238 C C . CYS C 3 60 ? 9.647 -4.082 -11.082 1.00 92.00 60 C 1 ATOM 2239 O O . CYS C 3 60 ? 9.361 -2.922 -10.792 1.00 90.37 60 C 1 ATOM 2240 C CB . CYS C 3 60 ? 10.844 -5.756 -9.581 1.00 87.32 60 C 1 ATOM 2241 S SG . CYS C 3 60 ? 9.920 -5.262 -8.106 1.00 83.35 60 C 1 ATOM 2242 N N . ASN C 3 61 ? 8.820 -4.879 -11.758 1.00 90.68 61 C 1 ATOM 2243 C CA . ASN C 3 61 ? 7.480 -4.503 -12.189 1.00 90.46 61 C 1 ATOM 2244 C C . ASN C 3 61 ? 6.436 -5.406 -11.532 1.00 90.34 61 C 1 ATOM 2245 O O . ASN C 3 61 ? 6.413 -6.615 -11.770 1.00 89.06 61 C 1 ATOM 2246 C CB . ASN C 3 61 ? 7.395 -4.572 -13.720 1.00 88.50 61 C 1 ATOM 2247 C CG . ASN C 3 61 ? 8.201 -3.465 -14.376 1.00 83.09 61 C 1 ATOM 2248 O OD1 . ASN C 3 61 ? 7.956 -2.297 -14.176 1.00 75.80 61 C 1 ATOM 2249 N ND2 . ASN C 3 61 ? 9.177 -3.806 -15.192 1.00 73.82 61 C 1 ATOM 2250 N N . LEU C 3 62 ? 5.537 -4.810 -10.757 1.00 90.74 62 C 1 ATOM 2251 C CA . LEU C 3 62 ? 4.360 -5.475 -10.212 1.00 91.17 62 C 1 ATOM 2252 C C . LEU C 3 62 ? 3.270 -5.517 -11.282 1.00 91.04 62 C 1 ATOM 2253 O O . LEU C 3 62 ? 2.716 -4.480 -11.649 1.00 89.52 62 C 1 ATOM 2254 C CB . LEU C 3 62 ? 3.879 -4.721 -8.970 1.00 91.22 62 C 1 ATOM 2255 C CG . LEU C 3 62 ? 4.840 -4.794 -7.774 1.00 89.24 62 C 1 ATOM 2256 C CD1 . LEU C 3 62 ? 4.557 -3.658 -6.807 1.00 82.31 62 C 1 ATOM 2257 C CD2 . LEU C 3 62 ? 4.671 -6.124 -7.027 1.00 83.94 62 C 1 ATOM 2258 N N . ILE C 3 63 ? 2.945 -6.708 -11.760 1.00 89.95 63 C 1 ATOM 2259 C CA . ILE C 3 63 ? 1.899 -6.947 -12.751 1.00 87.97 63 C 1 ATOM 2260 C C . ILE C 3 63 ? 0.608 -7.313 -12.015 1.00 87.19 63 C 1 ATOM 2261 O O . ILE C 3 63 ? 0.483 -8.400 -11.456 1.00 84.99 63 C 1 ATOM 2262 C CB . ILE C 3 63 ? 2.326 -8.029 -13.765 1.00 86.62 63 C 1 ATOM 2263 C CG1 . ILE C 3 63 ? 3.643 -7.631 -14.473 1.00 83.79 63 C 1 ATOM 2264 C CG2 . ILE C 3 63 ? 1.196 -8.259 -14.785 1.00 82.67 63 C 1 ATOM 2265 C CD1 . ILE C 3 63 ? 4.227 -8.734 -15.370 1.00 75.33 63 C 1 ATOM 2266 N N . LEU C 3 64 ? -0.362 -6.413 -12.027 1.00 87.16 64 C 1 ATOM 2267 C CA . LEU C 3 64 ? -1.611 -6.558 -11.272 1.00 85.36 64 C 1 ATOM 2268 C C . LEU C 3 64 ? -2.712 -7.281 -12.060 1.00 83.61 64 C 1 ATOM 2269 O O . LEU C 3 64 ? -3.725 -7.693 -11.491 1.00 80.03 64 C 1 ATOM 2270 C CB . LEU C 3 64 ? -2.082 -5.160 -10.823 1.00 86.78 64 C 1 ATOM 2271 C CG . LEU C 3 64 ? -1.020 -4.278 -10.134 1.00 87.69 64 C 1 ATOM 2272 C CD1 . LEU C 3 64 ? -1.657 -2.955 -9.731 1.00 82.33 64 C 1 ATOM 2273 C CD2 . LEU C 3 64 ? -0.432 -4.943 -8.884 1.00 82.29 64 C 1 ATOM 2274 N N . GLY C 3 65 ? -2.539 -7.442 -13.365 1.00 84.46 65 C 1 ATOM 2275 C CA . GLY C 3 65 ? -3.485 -8.089 -14.272 1.00 81.63 65 C 1 ATOM 2276 C C . GLY C 3 65 ? -3.184 -7.809 -15.739 1.00 82.77 65 C 1 ATOM 2277 O O . GLY C 3 65 ? -2.067 -7.444 -16.088 1.00 80.20 65 C 1 ATOM 2278 N N . ALA C 3 66 ? -4.192 -7.965 -16.586 1.00 80.83 66 C 1 ATOM 2279 C CA . ALA C 3 66 ? -4.068 -7.658 -18.007 1.00 80.78 66 C 1 ATOM 2280 C C . ALA C 3 66 ? -3.703 -6.177 -18.224 1.00 81.25 66 C 1 ATOM 2281 O O . ALA C 3 66 ? -4.211 -5.334 -17.486 1.00 78.89 66 C 1 ATOM 2282 C CB . ALA C 3 66 ? -5.378 -8.024 -18.717 1.00 79.03 66 C 1 ATOM 2283 N N . PRO C 3 67 ? -2.879 -5.847 -19.239 1.00 78.62 67 C 1 ATOM 2284 C CA . PRO C 3 67 ? -2.283 -4.514 -19.408 1.00 79.69 67 C 1 ATOM 2285 C C . PRO C 3 67 ? -3.267 -3.343 -19.329 1.00 81.98 67 C 1 ATOM 2286 O O . PRO C 3 67 ? -3.034 -2.384 -18.599 1.00 78.05 67 C 1 ATOM 2287 C CB . PRO C 3 67 ? -1.575 -4.565 -20.768 1.00 77.66 67 C 1 ATOM 2288 C CG . PRO C 3 67 ? -1.168 -6.032 -20.884 1.00 76.02 67 C 1 ATOM 2289 C CD . PRO C 3 67 ? -2.321 -6.767 -20.223 1.00 79.73 67 C 1 ATOM 2290 N N . ASP C 3 68 ? -4.408 -3.452 -19.980 1.00 79.63 68 C 1 ATOM 2291 C CA . ASP C 3 68 ? -5.417 -2.382 -20.048 1.00 79.25 68 C 1 ATOM 2292 C C . ASP C 3 68 ? -6.497 -2.463 -18.964 1.00 80.80 68 C 1 ATOM 2293 O O . ASP C 3 68 ? -7.440 -1.667 -18.945 1.00 77.35 68 C 1 ATOM 2294 C CB . ASP C 3 68 ? -6.034 -2.351 -21.447 1.00 76.20 68 C 1 ATOM 2295 C CG . ASP C 3 68 ? -4.952 -2.091 -22.489 1.00 66.67 68 C 1 ATOM 2296 O OD1 . ASP C 3 68 ? -4.244 -1.074 -22.316 1.00 59.22 68 C 1 ATOM 2297 O OD2 . ASP C 3 68 ? -4.806 -2.970 -23.366 1.00 59.51 68 C 1 ATOM 2298 N N . SER C 3 69 ? -6.388 -3.428 -18.039 1.00 81.65 69 C 1 ATOM 2299 C CA . SER C 3 69 ? -7.365 -3.561 -16.970 1.00 82.34 69 C 1 ATOM 2300 C C . SER C 3 69 ? -7.165 -2.498 -15.889 1.00 83.82 69 C 1 ATOM 2301 O O . SER C 3 69 ? -6.050 -2.270 -15.420 1.00 82.10 69 C 1 ATOM 2302 C CB . SER C 3 69 ? -7.387 -4.982 -16.398 1.00 79.94 69 C 1 ATOM 2303 O OG . SER C 3 69 ? -6.200 -5.317 -15.719 1.00 73.00 69 C 1 ATOM 2304 N N . GLN C 3 70 ? -8.263 -1.873 -15.441 1.00 84.79 70 C 1 ATOM 2305 C CA . GLN C 3 70 ? -8.232 -0.935 -14.323 1.00 85.68 70 C 1 ATOM 2306 C C . GLN C 3 70 ? -8.205 -1.712 -12.996 1.00 84.60 70 C 1 ATOM 2307 O O . GLN C 3 70 ? -9.225 -2.254 -12.574 1.00 80.29 70 C 1 ATOM 2308 C CB . GLN C 3 70 ? -9.438 0.013 -14.422 1.00 84.94 70 C 1 ATOM 2309 C CG . GLN C 3 70 ? -9.307 1.198 -13.464 1.00 81.85 70 C 1 ATOM 2310 C CD . GLN C 3 70 ? -8.189 2.149 -13.888 1.00 82.26 70 C 1 ATOM 2311 O OE1 . GLN C 3 70 ? -8.149 2.615 -15.009 1.00 75.70 70 C 1 ATOM 2312 N NE2 . GLN C 3 70 ? -7.243 2.431 -13.029 1.00 72.69 70 C 1 ATOM 2313 N N . LYS C 3 71 ? -7.041 -1.776 -12.353 1.00 84.51 71 C 1 ATOM 2314 C CA . LYS C 3 71 ? -6.848 -2.559 -11.123 1.00 84.22 71 C 1 ATOM 2315 C C . LYS C 3 71 ? -6.860 -1.748 -9.837 1.00 85.32 71 C 1 ATOM 2316 O O . LYS C 3 71 ? -7.126 -2.317 -8.779 1.00 83.82 71 C 1 ATOM 2317 C CB . LYS C 3 71 ? -5.554 -3.383 -11.227 1.00 81.80 71 C 1 ATOM 2318 C CG . LYS C 3 71 ? -5.645 -4.516 -12.254 1.00 79.27 71 C 1 ATOM 2319 C CD . LYS C 3 71 ? -6.703 -5.564 -11.880 1.00 74.51 71 C 1 ATOM 2320 C CE . LYS C 3 71 ? -6.647 -6.713 -12.873 1.00 71.08 71 C 1 ATOM 2321 N NZ . LYS C 3 71 ? -7.620 -7.791 -12.553 1.00 61.94 71 C 1 ATOM 2322 N N . LEU C 3 72 ? -6.597 -0.455 -9.930 1.00 84.83 72 C 1 ATOM 2323 C CA . LEU C 3 72 ? -6.563 0.468 -8.796 1.00 86.78 72 C 1 ATOM 2324 C C . LEU C 3 72 ? -7.415 1.705 -9.107 1.00 85.96 72 C 1 ATOM 2325 O O . LEU C 3 72 ? -7.687 2.019 -10.274 1.00 83.74 72 C 1 ATOM 2326 C CB . LEU C 3 72 ? -5.107 0.831 -8.462 1.00 88.30 72 C 1 ATOM 2327 C CG . LEU C 3 72 ? -4.232 -0.366 -8.037 1.00 89.25 72 C 1 ATOM 2328 C CD1 . LEU C 3 72 ? -2.767 0.067 -7.919 1.00 84.62 72 C 1 ATOM 2329 C CD2 . LEU C 3 72 ? -4.660 -0.945 -6.689 1.00 84.82 72 C 1 ATOM 2330 N N . THR C 3 73 ? -7.839 2.387 -8.054 1.00 88.21 73 C 1 ATOM 2331 C CA . THR C 3 73 ? -8.662 3.595 -8.107 1.00 87.43 73 C 1 ATOM 2332 C C . THR C 3 73 ? -7.997 4.730 -7.323 1.00 88.27 73 C 1 ATOM 2333 O O . THR C 3 73 ? -7.016 4.511 -6.619 1.00 87.64 73 C 1 ATOM 2334 C CB . THR C 3 73 ? -10.071 3.324 -7.548 1.00 85.03 73 C 1 ATOM 2335 O OG1 . THR C 3 73 ? -10.013 3.014 -6.175 1.00 78.32 73 C 1 ATOM 2336 C CG2 . THR C 3 73 ? -10.789 2.182 -8.267 1.00 76.06 73 C 1 ATOM 2337 N N . THR C 3 74 ? -8.543 5.937 -7.409 1.00 86.44 74 C 1 ATOM 2338 C CA . THR C 3 74 ? -8.025 7.119 -6.702 1.00 85.27 74 C 1 ATOM 2339 C C . THR C 3 74 ? -8.091 7.009 -5.176 1.00 85.11 74 C 1 ATOM 2340 O O . THR C 3 74 ? -7.405 7.750 -4.484 1.00 83.38 74 C 1 ATOM 2341 C CB . THR C 3 74 ? -8.801 8.374 -7.124 1.00 83.72 74 C 1 ATOM 2342 O OG1 . THR C 3 74 ? -10.182 8.149 -6.959 1.00 75.94 74 C 1 ATOM 2343 C CG2 . THR C 3 74 ? -8.581 8.715 -8.598 1.00 73.98 74 C 1 ATOM 2344 N N . VAL C 3 75 ? -8.911 6.097 -4.642 1.00 85.73 75 C 1 ATOM 2345 C CA . VAL C 3 75 ? -9.079 5.892 -3.193 1.00 84.14 75 C 1 ATOM 2346 C C . VAL C 3 75 ? -8.285 4.693 -2.663 1.00 84.55 75 C 1 ATOM 2347 O O . VAL C 3 75 ? -8.301 4.452 -1.458 1.00 81.96 75 C 1 ATOM 2348 C CB . VAL C 3 75 ? -10.556 5.779 -2.788 1.00 82.37 75 C 1 ATOM 2349 C CG1 . VAL C 3 75 ? -11.329 7.049 -3.173 1.00 74.28 75 C 1 ATOM 2350 C CG2 . VAL C 3 75 ? -11.250 4.564 -3.422 1.00 73.75 75 C 1 ATOM 2351 N N . ASP C 3 76 ? -7.642 3.911 -3.532 1.00 84.90 76 C 1 ATOM 2352 C CA . ASP C 3 76 ? -6.798 2.807 -3.104 1.00 86.21 76 C 1 ATOM 2353 C C . ASP C 3 76 ? -5.479 3.352 -2.532 1.00 86.97 76 C 1 ATOM 2354 O O . ASP C 3 76 ? -4.880 4.282 -3.072 1.00 86.70 76 C 1 ATOM 2355 C CB . ASP C 3 76 ? -6.522 1.825 -4.252 1.00 86.33 76 C 1 ATOM 2356 C CG . ASP C 3 76 ? -7.741 0.967 -4.642 1.00 85.28 76 C 1 ATOM 2357 O OD1 . ASP C 3 76 ? -8.261 0.177 -3.820 1.00 81.03 76 C 1 ATOM 2358 O OD2 . ASP C 3 76 ? -8.170 1.003 -5.822 1.00 80.59 76 C 1 ATOM 2359 N N . ILE C 3 77 ? -5.013 2.720 -1.459 1.00 87.16 77 C 1 ATOM 2360 C CA . ILE C 3 77 ? -3.664 2.863 -0.917 1.00 86.34 77 C 1 ATOM 2361 C C . ILE C 3 77 ? -3.022 1.481 -0.957 1.00 86.42 77 C 1 ATOM 2362 O O . ILE C 3 77 ? -3.629 0.498 -0.518 1.00 85.31 77 C 1 ATOM 2363 C CB . ILE C 3 77 ? -3.674 3.477 0.498 1.00 84.17 77 C 1 ATOM 2364 C CG1 . ILE C 3 77 ? -4.361 4.863 0.484 1.00 79.45 77 C 1 ATOM 2365 C CG2 . ILE C 3 77 ? -2.239 3.576 1.041 1.00 79.32 77 C 1 ATOM 2366 C CD1 . ILE C 3 77 ? -4.575 5.469 1.873 1.00 74.76 77 C 1 ATOM 2367 N N . VAL C 3 78 ? -1.825 1.381 -1.494 1.00 88.69 78 C 1 ATOM 2368 C CA . VAL C 3 78 ? -1.080 0.132 -1.591 1.00 89.67 78 C 1 ATOM 2369 C C . VAL C 3 78 ? 0.149 0.254 -0.713 1.00 89.57 78 C 1 ATOM 2370 O O . VAL C 3 78 ? 1.040 1.025 -1.022 1.00 88.67 78 C 1 ATOM 2371 C CB . VAL C 3 78 ? -0.688 -0.186 -3.047 1.00 90.48 78 C 1 ATOM 2372 C CG1 . VAL C 3 78 ? -0.027 -1.560 -3.143 1.00 86.96 78 C 1 ATOM 2373 C CG2 . VAL C 3 78 ? -1.899 -0.179 -3.980 1.00 86.32 78 C 1 ATOM 2374 N N . THR C 3 79 ? 0.235 -0.538 0.345 1.00 88.18 79 C 1 ATOM 2375 C CA . THR C 3 79 ? 1.486 -0.620 1.090 1.00 86.93 79 C 1 ATOM 2376 C C . THR C 3 79 ? 2.490 -1.444 0.300 1.00 88.48 79 C 1 ATOM 2377 O O . THR C 3 79 ? 2.249 -2.622 0.009 1.00 88.65 79 C 1 ATOM 2378 C CB . THR C 3 79 ? 1.287 -1.176 2.499 1.00 83.89 79 C 1 ATOM 2379 O OG1 . THR C 3 79 ? 0.364 -0.368 3.185 1.00 77.49 79 C 1 ATOM 2380 C CG2 . THR C 3 79 ? 2.587 -1.188 3.300 1.00 75.01 79 C 1 ATOM 2381 N N . LEU C 3 80 ? 3.598 -0.812 -0.063 1.00 89.15 80 C 1 ATOM 2382 C CA . LEU C 3 80 ? 4.708 -1.417 -0.780 1.00 90.38 80 C 1 ATOM 2383 C C . LEU C 3 80 ? 5.865 -1.645 0.188 1.00 89.17 80 C 1 ATOM 2384 O O . LEU C 3 80 ? 6.239 -0.739 0.929 1.00 87.61 80 C 1 ATOM 2385 C CB . LEU C 3 80 ? 5.139 -0.506 -1.942 1.00 92.07 80 C 1 ATOM 2386 C CG . LEU C 3 80 ? 4.059 -0.269 -3.007 1.00 92.59 80 C 1 ATOM 2387 C CD1 . LEU C 3 80 ? 4.584 0.695 -4.064 1.00 89.50 80 C 1 ATOM 2388 C CD2 . LEU C 3 80 ? 3.652 -1.561 -3.717 1.00 90.43 80 C 1 ATOM 2389 N N . ARG C 3 81 ? 6.448 -2.839 0.158 1.00 91.05 81 C 1 ATOM 2390 C CA . ARG C 3 81 ? 7.583 -3.208 1.006 1.00 90.06 81 C 1 ATOM 2391 C C . ARG C 3 81 ? 8.702 -3.815 0.174 1.00 91.68 81 C 1 ATOM 2392 O O . ARG C 3 81 ? 8.424 -4.646 -0.683 1.00 91.39 81 C 1 ATOM 2393 C CB . ARG C 3 81 ? 7.137 -4.185 2.104 1.00 86.69 81 C 1 ATOM 2394 C CG . ARG C 3 81 ? 6.040 -3.575 2.992 1.00 78.59 81 C 1 ATOM 2395 C CD . ARG C 3 81 ? 5.709 -4.460 4.192 1.00 74.82 81 C 1 ATOM 2396 N NE . ARG C 3 81 ? 5.020 -5.710 3.806 1.00 67.33 81 C 1 ATOM 2397 C CZ . ARG C 3 81 ? 4.743 -6.673 4.676 1.00 61.76 81 C 1 ATOM 2398 N NH1 . ARG C 3 81 ? 5.037 -6.559 5.924 1.00 56.93 81 C 1 ATOM 2399 N NH2 . ARG C 3 81 ? 4.179 -7.774 4.315 1.00 53.90 81 C 1 ATOM 2400 N N . VAL C 3 82 ? 9.938 -3.445 0.463 1.00 89.24 82 C 1 ATOM 2401 C CA . VAL C 3 82 ? 11.118 -4.178 0.010 1.00 89.66 82 C 1 ATOM 2402 C C . VAL C 3 82 ? 11.452 -5.219 1.066 1.00 88.51 82 C 1 ATOM 2403 O O . VAL C 3 82 ? 11.699 -4.879 2.221 1.00 86.97 82 C 1 ATOM 2404 C CB . VAL C 3 82 ? 12.311 -3.254 -0.255 1.00 90.30 82 C 1 ATOM 2405 C CG1 . VAL C 3 82 ? 13.537 -4.051 -0.700 1.00 87.71 82 C 1 ATOM 2406 C CG2 . VAL C 3 82 ? 11.988 -2.240 -1.352 1.00 86.84 82 C 1 ATOM 2407 N N . LEU C 3 83 ? 11.452 -6.482 0.667 1.00 88.56 83 C 1 ATOM 2408 C CA . LEU C 3 83 ? 11.779 -7.619 1.511 1.00 87.56 83 C 1 ATOM 2409 C C . LEU C 3 83 ? 13.049 -8.280 0.976 1.00 88.01 83 C 1 ATOM 2410 O O . LEU C 3 83 ? 13.075 -8.695 -0.174 1.00 87.54 83 C 1 ATOM 2411 C CB . LEU C 3 83 ? 10.615 -8.629 1.510 1.00 85.77 83 C 1 ATOM 2412 C CG . LEU C 3 83 ? 9.252 -8.086 1.968 1.00 82.37 83 C 1 ATOM 2413 C CD1 . LEU C 3 83 ? 8.192 -9.186 1.835 1.00 78.25 83 C 1 ATOM 2414 C CD2 . LEU C 3 83 ? 9.280 -7.624 3.422 1.00 77.69 83 C 1 ATOM 2415 N N . CYS C 3 84 ? 14.072 -8.412 1.812 1.00 86.13 84 C 1 ATOM 2416 C CA . CYS C 3 84 ? 15.293 -9.143 1.486 1.00 85.40 84 C 1 ATOM 2417 C C . CYS C 3 84 ? 15.426 -10.384 2.365 1.00 83.61 84 C 1 ATOM 2418 O O . CYS C 3 84 ? 15.042 -10.383 3.532 1.00 80.94 84 C 1 ATOM 2419 C CB . CYS C 3 84 ? 16.510 -8.224 1.573 1.00 85.87 84 C 1 ATOM 2420 S SG . CYS C 3 84 ? 16.517 -6.914 0.316 1.00 85.73 84 C 1 ATOM 2421 N N . ARG C 3 85 ? 15.957 -11.457 1.787 1.00 82.88 85 C 1 ATOM 2422 C CA . ARG C 3 85 ? 16.069 -12.734 2.478 1.00 80.90 85 C 1 ATOM 2423 C C . ARG C 3 85 ? 17.246 -12.708 3.453 1.00 79.95 85 C 1 ATOM 2424 O O . ARG C 3 85 ? 18.379 -12.496 3.054 1.00 77.10 85 C 1 ATOM 2425 C CB . ARG C 3 85 ? 16.171 -13.852 1.436 1.00 77.57 85 C 1 ATOM 2426 C CG . ARG C 3 85 ? 15.881 -15.223 2.058 1.00 68.76 85 C 1 ATOM 2427 C CD . ARG C 3 85 ? 15.862 -16.288 0.960 1.00 66.42 85 C 1 ATOM 2428 N NE . ARG C 3 85 ? 15.442 -17.589 1.486 1.00 58.54 85 C 1 ATOM 2429 C CZ . ARG C 3 85 ? 15.239 -18.686 0.777 1.00 52.58 85 C 1 ATOM 2430 N NH1 . ARG C 3 85 ? 15.441 -18.713 -0.508 1.00 47.90 85 C 1 ATOM 2431 N NH2 . ARG C 3 85 ? 14.835 -19.763 1.356 1.00 46.28 85 C 1 ATOM 2432 N N . GLU C 3 86 ? 16.973 -13.030 4.719 1.00 77.04 86 C 1 ATOM 2433 C CA . GLU C 3 86 ? 17.979 -13.273 5.753 1.00 75.99 86 C 1 ATOM 2434 C C . GLU C 3 86 ? 17.824 -14.715 6.266 1.00 73.99 86 C 1 ATOM 2435 O O . GLU C 3 86 ? 16.973 -15.030 7.105 1.00 69.45 86 C 1 ATOM 2436 C CB . GLU C 3 86 ? 17.891 -12.247 6.894 1.00 72.83 86 C 1 ATOM 2437 C CG . GLU C 3 86 ? 18.506 -10.881 6.524 1.00 65.01 86 C 1 ATOM 2438 C CD . GLU C 3 86 ? 18.568 -9.906 7.712 1.00 63.70 86 C 1 ATOM 2439 O OE1 . GLU C 3 86 ? 19.217 -8.838 7.578 1.00 58.88 86 C 1 ATOM 2440 O OE2 . GLU C 3 86 ? 17.957 -10.170 8.767 1.00 62.38 86 C 1 ATOM 2441 N N . GLY C 3 87 ? 18.614 -15.628 5.714 1.00 70.15 87 C 1 ATOM 2442 C CA . GLY C 3 87 ? 18.497 -17.057 5.978 1.00 69.10 87 C 1 ATOM 2443 C C . GLY C 3 87 ? 17.137 -17.610 5.536 1.00 69.65 87 C 1 ATOM 2444 O O . GLY C 3 87 ? 16.831 -17.663 4.347 1.00 66.19 87 C 1 ATOM 2445 N N . VAL C 3 88 ? 16.321 -18.064 6.505 1.00 64.28 88 C 1 ATOM 2446 C CA . VAL C 3 88 ? 14.977 -18.606 6.254 1.00 63.41 88 C 1 ATOM 2447 C C . VAL C 3 88 ? 13.862 -17.557 6.360 1.00 65.36 88 C 1 ATOM 2448 O O . VAL C 3 88 ? 12.708 -17.869 6.115 1.00 62.33 88 C 1 ATOM 2449 C CB . VAL C 3 88 ? 14.666 -19.809 7.173 1.00 60.65 88 C 1 ATOM 2450 C CG1 . VAL C 3 88 ? 15.609 -20.976 6.865 1.00 53.91 88 C 1 ATOM 2451 C CG2 . VAL C 3 88 ? 14.762 -19.458 8.658 1.00 54.70 88 C 1 ATOM 2452 N N . ARG C 3 89 ? 14.197 -16.320 6.744 1.00 66.31 89 C 1 ATOM 2453 C CA . ARG C 3 89 ? 13.241 -15.237 6.992 1.00 67.53 89 C 1 ATOM 2454 C C . ARG C 3 89 ? 13.346 -14.149 5.932 1.00 71.55 89 C 1 ATOM 2455 O O . ARG C 3 89 ? 14.321 -14.081 5.184 1.00 69.47 89 C 1 ATOM 2456 C CB . ARG C 3 89 ? 13.447 -14.662 8.407 1.00 61.86 89 C 1 ATOM 2457 C CG . ARG C 3 89 ? 13.173 -15.728 9.478 1.00 54.01 89 C 1 ATOM 2458 C CD . ARG C 3 89 ? 13.297 -15.135 10.886 1.00 49.31 89 C 1 ATOM 2459 N NE . ARG C 3 89 ? 13.063 -16.160 11.912 1.00 43.74 89 C 1 ATOM 2460 C CZ . ARG C 3 89 ? 13.078 -15.977 13.220 1.00 38.83 89 C 1 ATOM 2461 N NH1 . ARG C 3 89 ? 13.327 -14.808 13.741 1.00 35.90 89 C 1 ATOM 2462 N NH2 . ARG C 3 89 ? 12.855 -16.967 14.017 1.00 33.75 89 C 1 ATOM 2463 N N . TRP C 3 90 ? 12.331 -13.302 5.888 1.00 71.97 90 C 1 ATOM 2464 C CA . TRP C 3 90 ? 12.342 -12.071 5.122 1.00 72.49 90 C 1 ATOM 2465 C C . TRP C 3 90 ? 12.475 -10.891 6.078 1.00 72.16 90 C 1 ATOM 2466 O O . TRP C 3 90 ? 11.748 -10.816 7.075 1.00 71.55 90 C 1 ATOM 2467 C CB . TRP C 3 90 ? 11.078 -11.974 4.284 1.00 73.77 90 C 1 ATOM 2468 C CG . TRP C 3 90 ? 10.998 -13.000 3.189 1.00 74.89 90 C 1 ATOM 2469 C CD1 . TRP C 3 90 ? 10.311 -14.172 3.241 1.00 70.52 90 C 1 ATOM 2470 C CD2 . TRP C 3 90 ? 11.625 -12.959 1.874 1.00 74.12 90 C 1 ATOM 2471 N NE1 . TRP C 3 90 ? 10.460 -14.855 2.040 1.00 69.92 90 C 1 ATOM 2472 C CE2 . TRP C 3 90 ? 11.253 -14.136 1.172 1.00 71.91 90 C 1 ATOM 2473 C CE3 . TRP C 3 90 ? 12.451 -12.021 1.218 1.00 71.66 90 C 1 ATOM 2474 C CZ2 . TRP C 3 90 ? 11.694 -14.376 -0.155 1.00 71.35 90 C 1 ATOM 2475 C CZ3 . TRP C 3 90 ? 12.887 -12.262 -0.091 1.00 71.16 90 C 1 ATOM 2476 C CH2 . TRP C 3 90 ? 12.513 -13.429 -0.780 1.00 71.48 90 C 1 ATOM 2477 N N . ARG C 3 91 ? 13.382 -9.977 5.769 1.00 76.45 91 C 1 ATOM 2478 C CA . ARG C 3 91 ? 13.562 -8.727 6.488 1.00 77.90 91 C 1 ATOM 2479 C C . ARG C 3 91 ? 12.981 -7.578 5.678 1.00 80.94 91 C 1 ATOM 2480 O O . ARG C 3 91 ? 13.276 -7.457 4.493 1.00 81.01 91 C 1 ATOM 2481 C CB . ARG C 3 91 ? 15.051 -8.533 6.782 1.00 74.10 91 C 1 ATOM 2482 C CG . ARG C 3 91 ? 15.305 -7.233 7.541 1.00 63.80 91 C 1 ATOM 2483 C CD . ARG C 3 91 ? 16.791 -7.116 7.845 1.00 60.57 91 C 1 ATOM 2484 N NE . ARG C 3 91 ? 17.133 -5.844 8.476 1.00 53.79 91 C 1 ATOM 2485 C CZ . ARG C 3 91 ? 18.364 -5.495 8.821 1.00 47.95 91 C 1 ATOM 2486 N NH1 . ARG C 3 91 ? 19.365 -6.316 8.639 1.00 44.20 91 C 1 ATOM 2487 N NH2 . ARG C 3 91 ? 18.601 -4.320 9.330 1.00 41.34 91 C 1 ATOM 2488 N N . VAL C 3 92 ? 12.199 -6.720 6.326 1.00 79.05 92 C 1 ATOM 2489 C CA . VAL C 3 92 ? 11.717 -5.471 5.733 1.00 78.82 92 C 1 ATOM 2490 C C . VAL C 3 92 ? 12.889 -4.489 5.653 1.00 79.88 92 C 1 ATOM 2491 O O . VAL C 3 92 ? 13.485 -4.154 6.675 1.00 79.46 92 C 1 ATOM 2492 C CB . VAL C 3 92 ? 10.546 -4.870 6.518 1.00 77.05 92 C 1 ATOM 2493 C CG1 . VAL C 3 92 ? 9.994 -3.638 5.811 1.00 72.70 92 C 1 ATOM 2494 C CG2 . VAL C 3 92 ? 9.399 -5.877 6.668 1.00 73.56 92 C 1 ATOM 2495 N N . MET C 3 93 ? 13.217 -4.044 4.444 1.00 83.62 93 C 1 ATOM 2496 C CA . MET C 3 93 ? 14.302 -3.098 4.173 1.00 83.38 93 C 1 ATOM 2497 C C . MET C 3 93 ? 13.784 -1.680 3.931 1.00 83.73 93 C 1 ATOM 2498 O O . MET C 3 93 ? 14.442 -0.706 4.288 1.00 81.91 93 C 1 ATOM 2499 C CB . MET C 3 93 ? 15.099 -3.571 2.948 1.00 82.79 93 C 1 ATOM 2500 C CG . MET C 3 93 ? 15.714 -4.960 3.109 1.00 80.88 93 C 1 ATOM 2501 S SD . MET C 3 93 ? 16.860 -5.163 4.510 1.00 78.22 93 C 1 ATOM 2502 C CE . MET C 3 93 ? 18.190 -4.049 4.003 1.00 70.89 93 C 1 ATOM 2503 N N . ALA C 3 94 ? 12.604 -1.567 3.318 1.00 85.16 94 C 1 ATOM 2504 C CA . ALA C 3 94 ? 11.902 -0.315 3.095 1.00 85.31 94 C 1 ATOM 2505 C C . ALA C 3 94 ? 10.392 -0.569 3.055 1.00 85.57 94 C 1 ATOM 2506 O O . ALA C 3 94 ? 9.947 -1.652 2.681 1.00 84.62 94 C 1 ATOM 2507 C CB . ALA C 3 94 ? 12.399 0.321 1.789 1.00 84.95 94 C 1 ATOM 2508 N N . ILE C 3 95 ? 9.610 0.451 3.426 1.00 84.53 95 C 1 ATOM 2509 C CA . ILE C 3 95 ? 8.153 0.402 3.403 1.00 83.35 95 C 1 ATOM 2510 C C . ILE C 3 95 ? 7.607 1.783 3.053 1.00 83.23 95 C 1 ATOM 2511 O O . ILE C 3 95 ? 8.163 2.796 3.464 1.00 81.87 95 C 1 ATOM 2512 C CB . ILE C 3 95 ? 7.601 -0.148 4.735 1.00 79.67 95 C 1 ATOM 2513 C CG1 . ILE C 3 95 ? 6.072 -0.324 4.677 1.00 69.79 95 C 1 ATOM 2514 C CG2 . ILE C 3 95 ? 8.022 0.708 5.939 1.00 69.00 95 C 1 ATOM 2515 C CD1 . ILE C 3 95 ? 5.514 -1.210 5.789 1.00 64.40 95 C 1 ATOM 2516 N N . GLN C 3 96 ? 6.518 1.827 2.281 1.00 83.44 96 C 1 ATOM 2517 C CA . GLN C 3 96 ? 5.766 3.042 2.022 1.00 84.50 96 C 1 ATOM 2518 C C . GLN C 3 96 ? 4.300 2.718 1.742 1.00 84.67 96 C 1 ATOM 2519 O O . GLN C 3 96 ? 3.988 1.710 1.112 1.00 84.02 96 C 1 ATOM 2520 C CB . GLN C 3 96 ? 6.380 3.843 0.859 1.00 84.23 96 C 1 ATOM 2521 C CG . GLN C 3 96 ? 6.363 3.118 -0.494 1.00 82.42 96 C 1 ATOM 2522 C CD . GLN C 3 96 ? 6.919 3.962 -1.636 1.00 83.42 96 C 1 ATOM 2523 O OE1 . GLN C 3 96 ? 6.890 5.174 -1.629 1.00 77.66 96 C 1 ATOM 2524 N NE2 . GLN C 3 96 ? 7.426 3.356 -2.678 1.00 75.72 96 C 1 ATOM 2525 N N . ASP C 3 97 ? 3.422 3.627 2.147 1.00 84.48 97 C 1 ATOM 2526 C CA . ASP C 3 97 ? 2.043 3.624 1.690 1.00 83.60 97 C 1 ATOM 2527 C C . ASP C 3 97 ? 1.942 4.427 0.394 1.00 86.18 97 C 1 ATOM 2528 O O . ASP C 3 97 ? 2.067 5.646 0.358 1.00 85.23 97 C 1 ATOM 2529 C CB . ASP C 3 97 ? 1.117 4.166 2.776 1.00 79.39 97 C 1 ATOM 2530 C CG . ASP C 3 97 ? 0.881 3.148 3.896 1.00 74.23 97 C 1 ATOM 2531 O OD1 . ASP C 3 97 ? 0.985 1.929 3.651 1.00 68.78 97 C 1 ATOM 2532 O OD2 . ASP C 3 97 ? 0.522 3.594 4.997 1.00 69.57 97 C 1 ATOM 2533 N N . PHE C 3 98 ? 1.734 3.704 -0.694 1.00 88.28 98 C 1 ATOM 2534 C CA . PHE C 3 98 ? 1.727 4.216 -2.049 1.00 90.83 98 C 1 ATOM 2535 C C . PHE C 3 98 ? 0.309 4.578 -2.473 1.00 91.05 98 C 1 ATOM 2536 O O . PHE C 3 98 ? -0.577 3.722 -2.527 1.00 90.32 98 C 1 ATOM 2537 C CB . PHE C 3 98 ? 2.353 3.156 -2.953 1.00 92.09 98 C 1 ATOM 2538 C CG . PHE C 3 98 ? 2.410 3.531 -4.406 1.00 93.03 98 C 1 ATOM 2539 C CD1 . PHE C 3 98 ? 1.511 2.962 -5.327 1.00 90.58 98 C 1 ATOM 2540 C CD2 . PHE C 3 98 ? 3.397 4.423 -4.851 1.00 90.67 98 C 1 ATOM 2541 C CE1 . PHE C 3 98 ? 1.612 3.278 -6.687 1.00 90.79 98 C 1 ATOM 2542 C CE2 . PHE C 3 98 ? 3.492 4.740 -6.215 1.00 90.61 98 C 1 ATOM 2543 C CZ . PHE C 3 98 ? 2.606 4.163 -7.133 1.00 93.88 98 C 1 ATOM 2544 N N . LYS C 3 99 ? 0.096 5.846 -2.834 1.00 90.09 99 C 1 ATOM 2545 C CA . LYS C 3 99 ? -1.136 6.348 -3.448 1.00 89.81 99 C 1 ATOM 2546 C C . LYS C 3 99 ? -0.960 6.292 -4.977 1.00 90.71 99 C 1 ATOM 2547 O O . LYS C 3 99 ? -0.245 7.121 -5.529 1.00 90.53 99 C 1 ATOM 2548 C CB . LYS C 3 99 ? -1.410 7.778 -2.983 1.00 88.41 99 C 1 ATOM 2549 C CG . LYS C 3 99 ? -1.707 7.898 -1.485 1.00 84.73 99 C 1 ATOM 2550 C CD . LYS C 3 99 ? -1.898 9.380 -1.130 1.00 79.81 99 C 1 ATOM 2551 C CE . LYS C 3 99 ? -2.140 9.615 0.358 1.00 71.90 99 C 1 ATOM 2552 N NZ . LYS C 3 99 ? -2.162 11.059 0.659 1.00 63.83 99 C 1 ATOM 2553 N N . PRO C 3 100 ? -1.579 5.343 -5.679 1.00 91.46 100 C 1 ATOM 2554 C CA . PRO C 3 100 ? -1.292 5.102 -7.091 1.00 91.44 100 C 1 ATOM 2555 C C . PRO C 3 100 ? -1.508 6.327 -7.982 1.00 91.68 100 C 1 ATOM 2556 O O . PRO C 3 100 ? -0.679 6.636 -8.831 1.00 90.65 100 C 1 ATOM 2557 C CB . PRO C 3 100 ? -2.211 3.940 -7.495 1.00 90.84 100 C 1 ATOM 2558 C CG . PRO C 3 100 ? -2.475 3.211 -6.181 1.00 88.41 100 C 1 ATOM 2559 C CD . PRO C 3 100 ? -2.480 4.330 -5.153 1.00 90.62 100 C 1 ATOM 2560 N N . PHE C 3 101 ? -2.599 7.061 -7.767 1.00 90.34 101 C 1 ATOM 2561 C CA . PHE C 3 101 ? -2.967 8.217 -8.587 1.00 90.24 101 C 1 ATOM 2562 C C . PHE C 3 101 ? -2.212 9.514 -8.229 1.00 89.72 101 C 1 ATOM 2563 O O . PHE C 3 101 ? -2.311 10.473 -8.977 1.00 87.46 101 C 1 ATOM 2564 C CB . PHE C 3 101 ? -4.485 8.398 -8.570 1.00 89.77 101 C 1 ATOM 2565 C CG . PHE C 3 101 ? -5.196 7.440 -9.507 1.00 89.15 101 C 1 ATOM 2566 C CD1 . PHE C 3 101 ? -5.535 7.861 -10.810 1.00 84.59 101 C 1 ATOM 2567 C CD2 . PHE C 3 101 ? -5.469 6.120 -9.115 1.00 84.28 101 C 1 ATOM 2568 C CE1 . PHE C 3 101 ? -6.163 6.973 -11.698 1.00 83.29 101 C 1 ATOM 2569 C CE2 . PHE C 3 101 ? -6.092 5.230 -10.000 1.00 82.68 101 C 1 ATOM 2570 C CZ . PHE C 3 101 ? -6.438 5.660 -11.295 1.00 86.91 101 C 1 ATOM 2571 N N . GLU C 3 102 ? -1.415 9.511 -7.155 1.00 89.59 102 C 1 ATOM 2572 C CA . GLU C 3 102 ? -0.489 10.598 -6.827 1.00 88.85 102 C 1 ATOM 2573 C C . GLU C 3 102 ? 0.910 10.359 -7.409 1.00 89.42 102 C 1 ATOM 2574 O O . GLU C 3 102 ? 1.726 11.270 -7.489 1.00 87.15 102 C 1 ATOM 2575 C CB . GLU C 3 102 ? -0.411 10.779 -5.301 1.00 87.16 102 C 1 ATOM 2576 C CG . GLU C 3 102 ? -1.753 11.137 -4.642 1.00 82.60 102 C 1 ATOM 2577 C CD . GLU C 3 102 ? -2.410 12.371 -5.271 1.00 75.72 102 C 1 ATOM 2578 O OE1 . GLU C 3 102 ? -3.641 12.312 -5.482 1.00 66.66 102 C 1 ATOM 2579 O OE2 . GLU C 3 102 ? -1.673 13.315 -5.608 1.00 67.39 102 C 1 ATOM 2580 N N . ASN C 3 103 ? 1.192 9.132 -7.846 1.00 90.57 103 C 1 ATOM 2581 C CA . ASN C 3 103 ? 2.502 8.688 -8.318 1.00 90.92 103 C 1 ATOM 2582 C C . ASN C 3 103 ? 2.413 8.108 -9.735 1.00 91.73 103 C 1 ATOM 2583 O O . ASN C 3 103 ? 2.795 6.964 -9.998 1.00 90.09 103 C 1 ATOM 2584 C CB . ASN C 3 103 ? 3.087 7.695 -7.305 1.00 89.77 103 C 1 ATOM 2585 C CG . ASN C 3 103 ? 3.435 8.341 -5.978 1.00 86.36 103 C 1 ATOM 2586 O OD1 . ASN C 3 103 ? 4.518 8.862 -5.799 1.00 79.61 103 C 1 ATOM 2587 N ND2 . ASN C 3 103 ? 2.546 8.292 -5.014 1.00 79.77 103 C 1 ATOM 2588 N N . LEU C 3 104 ? 1.858 8.886 -10.656 1.00 89.75 104 C 1 ATOM 2589 C CA . LEU C 3 104 ? 1.607 8.442 -12.015 1.00 90.49 104 C 1 ATOM 2590 C C . LEU C 3 104 ? 2.839 8.630 -12.906 1.00 90.44 104 C 1 ATOM 2591 O O . LEU C 3 104 ? 3.467 9.685 -12.941 1.00 89.02 104 C 1 ATOM 2592 C CB . LEU C 3 104 ? 0.380 9.165 -12.577 1.00 89.70 104 C 1 ATOM 2593 C CG . LEU C 3 104 ? -0.948 8.742 -11.915 1.00 88.43 104 C 1 ATOM 2594 C CD1 . LEU C 3 104 ? -2.043 9.746 -12.249 1.00 83.10 104 C 1 ATOM 2595 C CD2 . LEU C 3 104 ? -1.393 7.361 -12.380 1.00 84.38 104 C 1 ATOM 2596 N N . ARG C 3 105 ? 3.141 7.607 -13.690 1.00 91.17 105 C 1 ATOM 2597 C CA . ARG C 3 105 ? 4.047 7.680 -14.839 1.00 91.71 105 C 1 ATOM 2598 C C . ARG C 3 105 ? 3.482 6.788 -15.929 1.00 91.19 105 C 1 ATOM 2599 O O . ARG C 3 105 ? 3.566 5.563 -15.833 1.00 89.75 105 C 1 ATOM 2600 C CB . ARG C 3 105 ? 5.467 7.285 -14.421 1.00 91.72 105 C 1 ATOM 2601 C CG . ARG C 3 105 ? 6.458 7.481 -15.580 1.00 88.59 105 C 1 ATOM 2602 C CD . ARG C 3 105 ? 7.899 7.199 -15.131 1.00 86.51 105 C 1 ATOM 2603 N NE . ARG C 3 105 ? 8.090 5.780 -14.802 1.00 78.14 105 C 1 ATOM 2604 C CZ . ARG C 3 105 ? 9.165 5.239 -14.238 1.00 71.95 105 C 1 ATOM 2605 N NH1 . ARG C 3 105 ? 10.204 5.966 -13.920 1.00 67.13 105 C 1 ATOM 2606 N NH2 . ARG C 3 105 ? 9.203 3.963 -13.988 1.00 63.02 105 C 1 ATOM 2607 N N . LEU C 3 106 ? 2.891 7.404 -16.942 1.00 90.13 106 C 1 ATOM 2608 C CA . LEU C 3 106 ? 2.315 6.683 -18.066 1.00 90.43 106 C 1 ATOM 2609 C C . LEU C 3 106 ? 3.398 5.978 -18.887 1.00 90.62 106 C 1 ATOM 2610 O O . LEU C 3 106 ? 4.586 6.305 -18.798 1.00 89.66 106 C 1 ATOM 2611 C CB . LEU C 3 106 ? 1.451 7.624 -18.923 1.00 89.60 106 C 1 ATOM 2612 C CG . LEU C 3 106 ? 0.258 8.250 -18.180 1.00 89.39 106 C 1 ATOM 2613 C CD1 . LEU C 3 106 ? -0.594 9.057 -19.161 1.00 84.70 106 C 1 ATOM 2614 C CD2 . LEU C 3 106 ? -0.650 7.199 -17.534 1.00 83.70 106 C 1 ATOM 2615 N N . MET C 3 107 ? 2.985 5.015 -19.688 1.00 90.45 107 C 1 ATOM 2616 C CA . MET C 3 107 ? 3.833 4.459 -20.734 1.00 90.13 107 C 1 ATOM 2617 C C . MET C 3 107 ? 4.172 5.547 -21.758 1.00 91.64 107 C 1 ATOM 2618 O O . MET C 3 107 ? 3.402 6.488 -21.945 1.00 91.74 107 C 1 ATOM 2619 C CB . MET C 3 107 ? 3.144 3.271 -21.402 1.00 88.58 107 C 1 ATOM 2620 C CG . MET C 3 107 ? 2.888 2.108 -20.431 1.00 83.33 107 C 1 ATOM 2621 S SD . MET C 3 107 ? 4.362 1.390 -19.662 1.00 74.81 107 C 1 ATOM 2622 C CE . MET C 3 107 ? 5.101 0.574 -21.084 1.00 62.98 107 C 1 ATOM 2623 N N . ALA C 3 108 ? 5.316 5.399 -22.417 1.00 91.94 108 C 1 ATOM 2624 C CA . ALA C 3 108 ? 5.665 6.278 -23.532 1.00 93.11 108 C 1 ATOM 2625 C C . ALA C 3 108 ? 4.589 6.191 -24.631 1.00 93.72 108 C 1 ATOM 2626 O O . ALA C 3 108 ? 4.035 5.114 -24.849 1.00 92.54 108 C 1 ATOM 2627 C CB . ALA C 3 108 ? 7.036 5.872 -24.068 1.00 92.40 108 C 1 ATOM 2628 N N . PRO C 3 109 ? 4.310 7.297 -25.339 1.00 94.19 109 C 1 ATOM 2629 C CA . PRO C 3 109 ? 3.498 7.249 -26.546 1.00 94.53 109 C 1 ATOM 2630 C C . PRO C 3 109 ? 4.070 6.254 -27.562 1.00 95.02 109 C 1 ATOM 2631 O O . PRO C 3 109 ? 5.281 6.075 -27.663 1.00 94.09 109 C 1 ATOM 2632 C CB . PRO C 3 109 ? 3.466 8.678 -27.094 1.00 94.03 109 C 1 ATOM 2633 C CG . PRO C 3 109 ? 3.729 9.525 -25.854 1.00 92.44 109 C 1 ATOM 2634 C CD . PRO C 3 109 ? 4.698 8.664 -25.052 1.00 93.31 109 C 1 ATOM 2635 N N . ILE C 3 110 ? 3.166 5.620 -28.313 1.00 93.45 110 C 1 ATOM 2636 C CA . ILE C 3 110 ? 3.486 4.593 -29.310 1.00 93.48 110 C 1 ATOM 2637 C C . ILE C 3 110 ? 2.876 4.945 -30.669 1.00 93.38 110 C 1 ATOM 2638 O O . ILE C 3 110 ? 2.244 5.991 -30.821 1.00 92.43 110 C 1 ATOM 2639 C CB . ILE C 3 110 ? 3.049 3.188 -28.823 1.00 92.39 110 C 1 ATOM 2640 C CG1 . ILE C 3 110 ? 1.532 3.109 -28.568 1.00 88.71 110 C 1 ATOM 2641 C CG2 . ILE C 3 110 ? 3.865 2.790 -27.577 1.00 87.00 110 C 1 ATOM 2642 C CD1 . ILE C 3 110 ? 1.014 1.670 -28.403 1.00 82.42 110 C 1 ATOM 2643 N N . SER C 3 111 ? 3.086 4.081 -31.654 1.00 93.41 111 C 1 ATOM 2644 C CA . SER C 3 111 ? 2.516 4.228 -32.998 1.00 93.76 111 C 1 ATOM 2645 C C . SER C 3 111 ? 2.824 5.584 -33.654 1.00 94.53 111 C 1 ATOM 2646 O O . SER C 3 111 ? 1.992 6.141 -34.372 1.00 92.26 111 C 1 ATOM 2647 C CB . SER C 3 111 ? 1.003 3.929 -33.004 1.00 92.30 111 C 1 ATOM 2648 O OG . SER C 3 111 ? 0.692 2.712 -32.358 1.00 85.26 111 C 1 ATOM 2649 N N . LEU C 3 112 ? 4.018 6.139 -33.391 1.00 93.21 112 C 1 ATOM 2650 C CA . LEU C 3 112 ? 4.450 7.373 -34.037 1.00 94.15 112 C 1 ATOM 2651 C C . LEU C 3 112 ? 4.534 7.160 -35.549 1.00 93.32 112 C 1 ATOM 2652 O O . LEU C 3 112 ? 5.198 6.229 -36.013 1.00 92.21 112 C 1 ATOM 2653 C CB . LEU C 3 112 ? 5.802 7.860 -33.500 1.00 94.73 112 C 1 ATOM 2654 C CG . LEU C 3 112 ? 5.735 8.651 -32.185 1.00 94.11 112 C 1 ATOM 2655 C CD1 . LEU C 3 112 ? 5.463 7.761 -30.970 1.00 85.02 112 C 1 ATOM 2656 C CD2 . LEU C 3 112 ? 7.073 9.366 -31.961 1.00 86.16 112 C 1 ATOM 2657 N N . GLN C 3 113 ? 3.902 8.046 -36.312 1.00 94.57 113 C 1 ATOM 2658 C CA . GLN C 3 113 ? 3.891 7.966 -37.769 1.00 93.85 113 C 1 ATOM 2659 C C . GLN C 3 113 ? 3.873 9.355 -38.411 1.00 94.27 113 C 1 ATOM 2660 O O . GLN C 3 113 ? 3.273 10.298 -37.906 1.00 92.96 113 C 1 ATOM 2661 C CB . GLN C 3 113 ? 2.713 7.097 -38.242 1.00 91.02 113 C 1 ATOM 2662 C CG . GLN C 3 113 ? 1.344 7.575 -37.735 1.00 80.51 113 C 1 ATOM 2663 C CD . GLN C 3 113 ? 0.191 6.656 -38.147 1.00 78.15 113 C 1 ATOM 2664 O OE1 . GLN C 3 113 ? 0.256 5.928 -39.113 1.00 68.80 113 C 1 ATOM 2665 N NE2 . GLN C 3 113 ? -0.902 6.675 -37.429 1.00 65.32 113 C 1 ATOM 2666 N N . VAL C 3 114 ? 4.512 9.464 -39.579 1.00 93.71 114 C 1 ATOM 2667 C CA . VAL C 3 114 ? 4.409 10.638 -40.451 1.00 92.92 114 C 1 ATOM 2668 C C . VAL C 3 114 ? 3.082 10.557 -41.200 1.00 92.71 114 C 1 ATOM 2669 O O . VAL C 3 114 ? 2.878 9.667 -42.023 1.00 90.69 114 C 1 ATOM 2670 C CB . VAL C 3 114 ? 5.596 10.716 -41.423 1.00 92.04 114 C 1 ATOM 2671 C CG1 . VAL C 3 114 ? 5.452 11.902 -42.376 1.00 86.57 114 C 1 ATOM 2672 C CG2 . VAL C 3 114 ? 6.920 10.876 -40.667 1.00 85.90 114 C 1 ATOM 2673 N N . VAL C 3 115 ? 2.184 11.495 -40.923 1.00 93.05 115 C 1 ATOM 2674 C CA . VAL C 3 115 ? 0.894 11.621 -41.619 1.00 91.98 115 C 1 ATOM 2675 C C . VAL C 3 115 ? 1.074 12.326 -42.958 1.00 92.20 115 C 1 ATOM 2676 O O . VAL C 3 115 ? 0.502 11.931 -43.969 1.00 89.38 115 C 1 ATOM 2677 C CB . VAL C 3 115 ? -0.117 12.395 -40.751 1.00 90.48 115 C 1 ATOM 2678 C CG1 . VAL C 3 115 ? -1.480 12.532 -41.432 1.00 82.34 115 C 1 ATOM 2679 C CG2 . VAL C 3 115 ? -0.339 11.700 -39.405 1.00 82.78 115 C 1 ATOM 2680 N N . HIS C 3 116 ? 1.895 13.403 -42.956 1.00 92.12 116 C 1 ATOM 2681 C CA . HIS C 3 116 ? 2.187 14.185 -44.150 1.00 92.20 116 C 1 ATOM 2682 C C . HIS C 3 116 ? 3.547 14.870 -44.019 1.00 92.66 116 C 1 ATOM 2683 O O . HIS C 3 116 ? 3.884 15.363 -42.948 1.00 90.63 116 C 1 ATOM 2684 C CB . HIS C 3 116 ? 1.076 15.222 -44.350 1.00 90.38 116 C 1 ATOM 2685 C CG . HIS C 3 116 ? 1.235 16.002 -45.627 1.00 88.91 116 C 1 ATOM 2686 N ND1 . HIS C 3 116 ? 1.181 15.465 -46.898 1.00 78.80 116 C 1 ATOM 2687 C CD2 . HIS C 3 116 ? 1.471 17.340 -45.734 1.00 79.04 116 C 1 ATOM 2688 C CE1 . HIS C 3 116 ? 1.378 16.480 -47.753 1.00 78.53 116 C 1 ATOM 2689 N NE2 . HIS C 3 116 ? 1.553 17.624 -47.079 1.00 80.11 116 C 1 ATOM 2690 N N . VAL C 3 117 ? 4.325 14.916 -45.074 1.00 92.12 117 C 1 ATOM 2691 C CA . VAL C 3 117 ? 5.628 15.587 -45.118 1.00 92.63 117 C 1 ATOM 2692 C C . VAL C 3 117 ? 5.763 16.438 -46.375 1.00 92.20 117 C 1 ATOM 2693 O O . VAL C 3 117 ? 5.446 15.995 -47.487 1.00 89.10 117 C 1 ATOM 2694 C CB . VAL C 3 117 ? 6.785 14.584 -44.942 1.00 90.75 117 C 1 ATOM 2695 C CG1 . VAL C 3 117 ? 6.953 13.616 -46.107 1.00 81.15 117 C 1 ATOM 2696 C CG2 . VAL C 3 117 ? 8.116 15.308 -44.697 1.00 81.42 117 C 1 ATOM 2697 N N . GLU C 3 118 ? 6.268 17.657 -46.176 1.00 92.11 118 C 1 ATOM 2698 C CA . GLU C 3 118 ? 6.559 18.631 -47.222 1.00 91.94 118 C 1 ATOM 2699 C C . GLU C 3 118 ? 8.053 19.023 -47.203 1.00 92.11 118 C 1 ATOM 2700 O O . GLU C 3 118 ? 8.882 18.346 -46.587 1.00 89.92 118 C 1 ATOM 2701 C CB . GLU C 3 118 ? 5.635 19.855 -47.061 1.00 89.86 118 C 1 ATOM 2702 C CG . GLU C 3 118 ? 4.154 19.510 -47.218 1.00 85.83 118 C 1 ATOM 2703 C CD . GLU C 3 118 ? 3.246 20.758 -47.199 1.00 85.22 118 C 1 ATOM 2704 O OE1 . GLU C 3 118 ? 2.021 20.565 -47.393 1.00 77.18 118 C 1 ATOM 2705 O OE2 . GLU C 3 118 ? 3.760 21.877 -47.002 1.00 79.95 118 C 1 ATOM 2706 N N . THR C 3 119 ? 8.405 20.113 -47.883 1.00 92.73 119 C 1 ATOM 2707 C CA . THR C 3 119 ? 9.772 20.660 -47.894 1.00 92.48 119 C 1 ATOM 2708 C C . THR C 3 119 ? 10.146 21.326 -46.580 1.00 92.84 119 C 1 ATOM 2709 O O . THR C 3 119 ? 11.276 21.183 -46.127 1.00 90.16 119 C 1 ATOM 2710 C CB . THR C 3 119 ? 9.936 21.681 -49.033 1.00 90.91 119 C 1 ATOM 2711 O OG1 . THR C 3 119 ? 8.844 22.580 -49.028 1.00 82.02 119 C 1 ATOM 2712 C CG2 . THR C 3 119 ? 9.924 21.009 -50.404 1.00 82.01 119 C 1 ATOM 2713 N N . HIS C 3 120 ? 9.206 22.017 -45.931 1.00 92.84 120 C 1 ATOM 2714 C CA . HIS C 3 120 ? 9.412 22.801 -44.709 1.00 92.96 120 C 1 ATOM 2715 C C . HIS C 3 120 ? 8.505 22.385 -43.547 1.00 93.34 120 C 1 ATOM 2716 O O . HIS C 3 120 ? 8.565 22.997 -42.481 1.00 90.03 120 C 1 ATOM 2717 C CB . HIS C 3 120 ? 9.209 24.285 -45.027 1.00 91.77 120 C 1 ATOM 2718 C CG . HIS C 3 120 ? 10.176 24.807 -46.042 1.00 91.19 120 C 1 ATOM 2719 N ND1 . HIS C 3 120 ? 11.507 25.075 -45.816 1.00 79.67 120 C 1 ATOM 2720 C CD2 . HIS C 3 120 ? 9.922 25.127 -47.346 1.00 80.09 120 C 1 ATOM 2721 C CE1 . HIS C 3 120 ? 12.033 25.552 -46.964 1.00 81.92 120 C 1 ATOM 2722 N NE2 . HIS C 3 120 ? 11.106 25.588 -47.914 1.00 83.33 120 C 1 ATOM 2723 N N . ARG C 3 121 ? 7.647 21.383 -43.726 1.00 92.49 121 C 1 ATOM 2724 C CA . ARG C 3 121 ? 6.643 20.960 -42.747 1.00 93.55 121 C 1 ATOM 2725 C C . ARG C 3 121 ? 6.558 19.443 -42.648 1.00 93.53 121 C 1 ATOM 2726 O O . ARG C 3 121 ? 6.779 18.734 -43.628 1.00 91.21 121 C 1 ATOM 2727 C CB . ARG C 3 121 ? 5.258 21.540 -43.096 1.00 91.57 121 C 1 ATOM 2728 C CG . ARG C 3 121 ? 5.210 23.064 -42.952 1.00 84.37 121 C 1 ATOM 2729 C CD . ARG C 3 121 ? 3.804 23.582 -43.269 1.00 83.76 121 C 1 ATOM 2730 N NE . ARG C 3 121 ? 3.650 24.994 -42.891 1.00 72.77 121 C 1 ATOM 2731 C CZ . ARG C 3 121 ? 2.632 25.789 -43.140 1.00 66.63 121 C 1 ATOM 2732 N NH1 . ARG C 3 121 ? 1.651 25.413 -43.909 1.00 60.82 121 C 1 ATOM 2733 N NH2 . ARG C 3 121 ? 2.596 26.956 -42.604 1.00 57.27 121 C 1 ATOM 2734 N N . CYS C 3 122 ? 6.184 18.976 -41.456 1.00 92.52 122 C 1 ATOM 2735 C CA . CYS C 3 122 ? 5.876 17.570 -41.231 1.00 93.21 122 C 1 ATOM 2736 C C . CYS C 3 122 ? 4.764 17.438 -40.192 1.00 93.24 122 C 1 ATOM 2737 O O . CYS C 3 122 ? 4.866 17.982 -39.088 1.00 92.18 122 C 1 ATOM 2738 C CB . CYS C 3 122 ? 7.155 16.848 -40.800 1.00 93.01 122 C 1 ATOM 2739 S SG . CYS C 3 122 ? 6.856 15.058 -40.742 1.00 91.61 122 C 1 ATOM 2740 N N . ASN C 3 123 ? 3.713 16.684 -40.515 1.00 93.47 123 C 1 ATOM 2741 C CA . ASN C 3 123 ? 2.655 16.323 -39.577 1.00 93.83 123 C 1 ATOM 2742 C C . ASN C 3 123 ? 2.924 14.923 -39.043 1.00 93.79 123 C 1 ATOM 2743 O O . ASN C 3 123 ? 3.042 13.967 -39.816 1.00 92.37 123 C 1 ATOM 2744 C CB . ASN C 3 123 ? 1.286 16.410 -40.264 1.00 92.82 123 C 1 ATOM 2745 C CG . ASN C 3 123 ? 0.883 17.817 -40.654 1.00 87.95 123 C 1 ATOM 2746 O OD1 . ASN C 3 123 ? 1.463 18.809 -40.265 1.00 80.16 123 C 1 ATOM 2747 N ND2 . ASN C 3 123 ? -0.145 17.949 -41.460 1.00 79.91 123 C 1 ATOM 2748 N N . ILE C 3 124 ? 3.003 14.809 -37.708 1.00 93.64 124 C 1 ATOM 2749 C CA . ILE C 3 124 ? 3.266 13.552 -37.011 1.00 94.13 124 C 1 ATOM 2750 C C . ILE C 3 124 ? 2.096 13.273 -36.075 1.00 93.59 124 C 1 ATOM 2751 O O . ILE C 3 124 ? 1.631 14.178 -35.388 1.00 91.71 124 C 1 ATOM 2752 C CB . ILE C 3 124 ? 4.618 13.605 -36.276 1.00 94.32 124 C 1 ATOM 2753 C CG1 . ILE C 3 124 ? 5.770 13.836 -37.286 1.00 91.98 124 C 1 ATOM 2754 C CG2 . ILE C 3 124 ? 4.856 12.310 -35.472 1.00 91.81 124 C 1 ATOM 2755 C CD1 . ILE C 3 124 ? 7.144 14.056 -36.642 1.00 90.13 124 C 1 ATOM 2756 N N . SER C 3 125 ? 1.653 12.020 -36.017 1.00 94.47 125 C 1 ATOM 2757 C CA . SER C 3 125 ? 0.672 11.543 -35.045 1.00 94.50 125 C 1 ATOM 2758 C C . SER C 3 125 ? 1.247 10.427 -34.181 1.00 94.79 125 C 1 ATOM 2759 O O . SER C 3 125 ? 2.237 9.789 -34.544 1.00 94.44 125 C 1 ATOM 2760 C CB . SER C 3 125 ? -0.624 11.097 -35.732 1.00 93.23 125 C 1 ATOM 2761 O OG . SER C 3 125 ? -0.407 9.951 -36.535 1.00 88.09 125 C 1 ATOM 2762 N N . TRP C 3 126 ? 0.619 10.194 -33.018 1.00 94.60 126 C 1 ATOM 2763 C CA . TRP C 3 126 ? 0.947 9.111 -32.097 1.00 95.01 126 C 1 ATOM 2764 C C . TRP C 3 126 ? -0.294 8.620 -31.364 1.00 94.38 126 C 1 ATOM 2765 O O . TRP C 3 126 ? -1.362 9.210 -31.445 1.00 91.92 126 C 1 ATOM 2766 C CB . TRP C 3 126 ? 2.011 9.583 -31.101 1.00 94.67 126 C 1 ATOM 2767 C CG . TRP C 3 126 ? 1.630 10.789 -30.302 1.00 94.69 126 C 1 ATOM 2768 C CD1 . TRP C 3 126 ? 0.919 10.792 -29.149 1.00 92.96 126 C 1 ATOM 2769 C CD2 . TRP C 3 126 ? 1.907 12.194 -30.602 1.00 94.75 126 C 1 ATOM 2770 N NE1 . TRP C 3 126 ? 0.737 12.097 -28.714 1.00 92.84 126 C 1 ATOM 2771 C CE2 . TRP C 3 126 ? 1.333 12.987 -29.581 1.00 93.90 126 C 1 ATOM 2772 C CE3 . TRP C 3 126 ? 2.594 12.850 -31.647 1.00 93.33 126 C 1 ATOM 2773 C CZ2 . TRP C 3 126 ? 1.427 14.394 -29.582 1.00 93.22 126 C 1 ATOM 2774 C CZ3 . TRP C 3 126 ? 2.690 14.249 -31.655 1.00 93.20 126 C 1 ATOM 2775 C CH2 . TRP C 3 126 ? 2.105 15.017 -30.637 1.00 92.61 126 C 1 ATOM 2776 N N . GLU C 3 127 ? -0.132 7.548 -30.600 1.00 93.23 127 C 1 ATOM 2777 C CA . GLU C 3 127 ? -1.161 6.980 -29.734 1.00 92.62 127 C 1 ATOM 2778 C C . GLU C 3 127 ? -0.668 6.910 -28.286 1.00 92.75 127 C 1 ATOM 2779 O O . GLU C 3 127 ? 0.521 6.741 -28.009 1.00 92.04 127 C 1 ATOM 2780 C CB . GLU C 3 127 ? -1.573 5.587 -30.225 1.00 90.75 127 C 1 ATOM 2781 C CG . GLU C 3 127 ? -2.265 5.602 -31.590 1.00 84.09 127 C 1 ATOM 2782 C CD . GLU C 3 127 ? -2.570 4.189 -32.123 1.00 81.55 127 C 1 ATOM 2783 O OE1 . GLU C 3 127 ? -3.321 4.097 -33.115 1.00 73.08 127 C 1 ATOM 2784 O OE2 . GLU C 3 127 ? -2.011 3.205 -31.580 1.00 75.04 127 C 1 ATOM 2785 N N . ILE C 3 128 ? -1.597 7.002 -27.337 1.00 91.24 128 C 1 ATOM 2786 C CA . ILE C 3 128 ? -1.302 6.833 -25.910 1.00 89.58 128 C 1 ATOM 2787 C C . ILE C 3 128 ? -1.571 5.378 -25.520 1.00 87.82 128 C 1 ATOM 2788 O O . ILE C 3 128 ? -2.679 4.874 -25.669 1.00 83.72 128 C 1 ATOM 2789 C CB . ILE C 3 128 ? -2.126 7.802 -25.046 1.00 87.55 128 C 1 ATOM 2790 C CG1 . ILE C 3 128 ? -1.957 9.270 -25.489 1.00 80.13 128 C 1 ATOM 2791 C CG2 . ILE C 3 128 ? -1.697 7.658 -23.576 1.00 77.08 128 C 1 ATOM 2792 C CD1 . ILE C 3 128 ? -3.009 10.177 -24.842 1.00 69.50 128 C 1 ATOM 2793 N N . SER C 3 129 ? -0.563 4.714 -24.951 1.00 86.16 129 C 1 ATOM 2794 C CA . SER C 3 129 ? -0.682 3.335 -24.484 1.00 83.91 129 C 1 ATOM 2795 C C . SER C 3 129 ? -1.117 3.264 -23.017 1.00 83.41 129 C 1 ATOM 2796 O O . SER C 3 129 ? -0.605 4.003 -22.178 1.00 77.37 129 C 1 ATOM 2797 C CB . SER C 3 129 ? 0.644 2.612 -24.685 1.00 79.82 129 C 1 ATOM 2798 O OG . SER C 3 129 ? 0.498 1.246 -24.365 1.00 72.81 129 C 1 ATOM 2799 N N . GLN C 3 130 ? -2.014 2.347 -22.691 1.00 77.70 130 C 1 ATOM 2800 C CA . GLN C 3 130 ? -2.376 1.947 -21.315 1.00 78.43 130 C 1 ATOM 2801 C C . GLN C 3 130 ? -2.767 3.111 -20.375 1.00 79.35 130 C 1 ATOM 2802 O O . GLN C 3 130 ? -2.544 3.051 -19.162 1.00 76.01 130 C 1 ATOM 2803 C CB . GLN C 3 130 ? -1.268 1.067 -20.711 1.00 77.15 130 C 1 ATOM 2804 C CG . GLN C 3 130 ? -0.955 -0.170 -21.557 1.00 76.03 130 C 1 ATOM 2805 C CD . GLN C 3 130 ? 0.173 -1.018 -20.973 1.00 72.39 130 C 1 ATOM 2806 O OE1 . GLN C 3 130 ? 0.550 -0.919 -19.822 1.00 66.99 130 C 1 ATOM 2807 N NE2 . GLN C 3 130 ? 0.753 -1.887 -21.775 1.00 65.51 130 C 1 ATOM 2808 N N . ALA C 3 131 ? -3.347 4.177 -20.913 1.00 78.46 131 C 1 ATOM 2809 C CA . ALA C 3 131 ? -3.811 5.302 -20.107 1.00 79.73 131 C 1 ATOM 2810 C C . ALA C 3 131 ? -5.231 5.062 -19.582 1.00 80.41 131 C 1 ATOM 2811 O O . ALA C 3 131 ? -6.133 4.624 -20.304 1.00 77.54 131 C 1 ATOM 2812 C CB . ALA C 3 131 ? -3.701 6.590 -20.911 1.00 77.78 131 C 1 ATOM 2813 N N . SER C 3 132 ? -5.444 5.377 -18.298 1.00 79.28 132 C 1 ATOM 2814 C CA . SER C 3 132 ? -6.758 5.256 -17.666 1.00 79.62 132 C 1 ATOM 2815 C C . SER C 3 132 ? -7.782 6.209 -18.282 1.00 79.82 132 C 1 ATOM 2816 O O . SER C 3 132 ? -7.484 7.362 -18.561 1.00 77.85 132 C 1 ATOM 2817 C CB . SER C 3 132 ? -6.663 5.526 -16.171 1.00 77.40 132 C 1 ATOM 2818 O OG . SER C 3 132 ? -7.918 5.304 -15.565 1.00 73.07 132 C 1 ATOM 2819 N N . HIS C 3 133 ? -9.019 5.749 -18.394 1.00 76.32 133 C 1 ATOM 2820 C CA . HIS C 3 133 ? -10.147 6.584 -18.807 1.00 75.30 133 C 1 ATOM 2821 C C . HIS C 3 133 ? -10.420 7.746 -17.835 1.00 76.13 133 C 1 ATOM 2822 O O . HIS C 3 133 ? -10.971 8.752 -18.251 1.00 73.25 133 C 1 ATOM 2823 C CB . HIS C 3 133 ? -11.398 5.717 -18.955 1.00 72.32 133 C 1 ATOM 2824 C CG . HIS C 3 133 ? -11.224 4.583 -19.921 1.00 65.60 133 C 1 ATOM 2825 N ND1 . HIS C 3 133 ? -10.929 4.685 -21.263 1.00 56.82 133 C 1 ATOM 2826 C CD2 . HIS C 3 133 ? -11.330 3.242 -19.638 1.00 56.02 133 C 1 ATOM 2827 C CE1 . HIS C 3 133 ? -10.856 3.441 -21.769 1.00 51.11 133 C 1 ATOM 2828 N NE2 . HIS C 3 133 ? -11.091 2.535 -20.820 1.00 51.89 133 C 1 ATOM 2829 N N . TYR C 3 134 ? -9.972 7.642 -16.577 1.00 76.35 134 C 1 ATOM 2830 C CA . TYR C 3 134 ? -10.134 8.704 -15.580 1.00 75.19 134 C 1 ATOM 2831 C C . TYR C 3 134 ? -9.458 10.025 -15.953 1.00 75.35 134 C 1 ATOM 2832 O O . TYR C 3 134 ? -9.867 11.062 -15.440 1.00 72.64 134 C 1 ATOM 2833 C CB . TYR C 3 134 ? -9.592 8.223 -14.226 1.00 71.90 134 C 1 ATOM 2834 C CG . TYR C 3 134 ? -10.391 7.110 -13.579 1.00 67.81 134 C 1 ATOM 2835 C CD1 . TYR C 3 134 ? -11.762 7.286 -13.320 1.00 61.50 134 C 1 ATOM 2836 C CD2 . TYR C 3 134 ? -9.766 5.905 -13.206 1.00 60.33 134 C 1 ATOM 2837 C CE1 . TYR C 3 134 ? -12.516 6.271 -12.720 1.00 54.82 134 C 1 ATOM 2838 C CE2 . TYR C 3 134 ? -10.511 4.884 -12.595 1.00 54.62 134 C 1 ATOM 2839 C CZ . TYR C 3 134 ? -11.888 5.065 -12.356 1.00 54.80 134 C 1 ATOM 2840 O OH . TYR C 3 134 ? -12.628 4.064 -11.775 1.00 51.31 134 C 1 ATOM 2841 N N . PHE C 3 135 ? -8.465 10.014 -16.820 1.00 73.85 135 C 1 ATOM 2842 C CA . PHE C 3 135 ? -7.806 11.252 -17.245 1.00 73.62 135 C 1 ATOM 2843 C C . PHE C 3 135 ? -8.616 12.041 -18.267 1.00 71.90 135 C 1 ATOM 2844 O O . PHE C 3 135 ? -8.394 13.240 -18.402 1.00 67.63 135 C 1 ATOM 2845 C CB . PHE C 3 135 ? -6.407 10.935 -17.793 1.00 73.59 135 C 1 ATOM 2846 C CG . PHE C 3 135 ? -5.526 10.216 -16.805 1.00 77.70 135 C 1 ATOM 2847 C CD1 . PHE C 3 135 ? -5.364 10.719 -15.500 1.00 73.02 135 C 1 ATOM 2848 C CD2 . PHE C 3 135 ? -4.880 9.021 -17.172 1.00 75.36 135 C 1 ATOM 2849 C CE1 . PHE C 3 135 ? -4.594 10.026 -14.568 1.00 71.88 135 C 1 ATOM 2850 C CE2 . PHE C 3 135 ? -4.097 8.331 -16.235 1.00 72.78 135 C 1 ATOM 2851 C CZ . PHE C 3 135 ? -3.966 8.829 -14.933 1.00 76.26 135 C 1 ATOM 2852 N N . GLU C 3 136 ? -9.536 11.413 -18.972 1.00 69.45 136 C 1 ATOM 2853 C CA . GLU C 3 136 ? -10.320 12.007 -20.054 1.00 67.01 136 C 1 ATOM 2854 C C . GLU C 3 136 ? -9.482 12.934 -20.955 1.00 67.82 136 C 1 ATOM 2855 O O . GLU C 3 136 ? -8.733 12.459 -21.812 1.00 62.52 136 C 1 ATOM 2856 C CB . GLU C 3 136 ? -11.569 12.729 -19.502 1.00 61.35 136 C 1 ATOM 2857 C CG . GLU C 3 136 ? -12.585 11.795 -18.836 1.00 55.67 136 C 1 ATOM 2858 C CD . GLU C 3 136 ? -13.909 12.527 -18.534 1.00 51.08 136 C 1 ATOM 2859 O OE1 . GLU C 3 136 ? -14.893 11.825 -18.223 1.00 45.30 136 C 1 ATOM 2860 O OE2 . GLU C 3 136 ? -13.946 13.772 -18.659 1.00 48.12 136 C 1 ATOM 2861 N N . ARG C 3 137 ? -9.594 14.255 -20.751 1.00 69.92 137 C 1 ATOM 2862 C CA . ARG C 3 137 ? -8.890 15.306 -21.503 1.00 70.35 137 C 1 ATOM 2863 C C . ARG C 3 137 ? -7.725 15.934 -20.734 1.00 73.73 137 C 1 ATOM 2864 O O . ARG C 3 137 ? -7.078 16.823 -21.269 1.00 68.85 137 C 1 ATOM 2865 C CB . ARG C 3 137 ? -9.896 16.372 -21.962 1.00 64.02 137 C 1 ATOM 2866 C CG . ARG C 3 137 ? -10.950 15.784 -22.909 1.00 57.77 137 C 1 ATOM 2867 C CD . ARG C 3 137 ? -11.871 16.897 -23.418 1.00 53.01 137 C 1 ATOM 2868 N NE . ARG C 3 137 ? -12.906 16.361 -24.315 1.00 46.89 137 C 1 ATOM 2869 C CZ . ARG C 3 137 ? -13.844 17.067 -24.925 1.00 40.84 137 C 1 ATOM 2870 N NH1 . ARG C 3 137 ? -13.919 18.363 -24.782 1.00 37.80 137 C 1 ATOM 2871 N NH2 . ARG C 3 137 ? -14.716 16.469 -25.684 1.00 35.48 137 C 1 ATOM 2872 N N . HIS C 3 138 ? -7.461 15.501 -19.509 1.00 81.47 138 C 1 ATOM 2873 C CA . HIS C 3 138 ? -6.460 16.094 -18.622 1.00 82.97 138 C 1 ATOM 2874 C C . HIS C 3 138 ? -5.073 15.466 -18.824 1.00 85.00 138 C 1 ATOM 2875 O O . HIS C 3 138 ? -4.459 14.937 -17.898 1.00 82.73 138 C 1 ATOM 2876 C CB . HIS C 3 138 ? -6.949 16.034 -17.173 1.00 78.66 138 C 1 ATOM 2877 C CG . HIS C 3 138 ? -8.250 16.759 -16.973 1.00 71.91 138 C 1 ATOM 2878 N ND1 . HIS C 3 138 ? -8.425 18.124 -16.958 1.00 61.41 138 C 1 ATOM 2879 C CD2 . HIS C 3 138 ? -9.489 16.189 -16.805 1.00 60.93 138 C 1 ATOM 2880 C CE1 . HIS C 3 138 ? -9.729 18.376 -16.777 1.00 57.69 138 C 1 ATOM 2881 N NE2 . HIS C 3 138 ? -10.410 17.231 -16.684 1.00 57.54 138 C 1 ATOM 2882 N N . LEU C 3 139 ? -4.575 15.532 -20.065 1.00 86.32 139 C 1 ATOM 2883 C CA . LEU C 3 139 ? -3.226 15.115 -20.438 1.00 88.04 139 C 1 ATOM 2884 C C . LEU C 3 139 ? -2.503 16.281 -21.109 1.00 88.48 139 C 1 ATOM 2885 O O . LEU C 3 139 ? -3.110 17.048 -21.859 1.00 86.63 139 C 1 ATOM 2886 C CB . LEU C 3 139 ? -3.280 13.898 -21.374 1.00 86.95 139 C 1 ATOM 2887 C CG . LEU C 3 139 ? -3.886 12.625 -20.753 1.00 86.34 139 C 1 ATOM 2888 C CD1 . LEU C 3 139 ? -3.975 11.525 -21.804 1.00 81.42 139 C 1 ATOM 2889 C CD2 . LEU C 3 139 ? -3.050 12.084 -19.600 1.00 82.03 139 C 1 ATOM 2890 N N . GLU C 3 140 ? -1.198 16.392 -20.852 1.00 91.32 140 C 1 ATOM 2891 C CA . GLU C 3 140 ? -0.289 17.280 -21.573 1.00 91.63 140 C 1 ATOM 2892 C C . GLU C 3 140 ? 0.809 16.466 -22.259 1.00 92.62 140 C 1 ATOM 2893 O O . GLU C 3 140 ? 1.131 15.347 -21.848 1.00 92.03 140 C 1 ATOM 2894 C CB . GLU C 3 140 ? 0.259 18.382 -20.644 1.00 88.70 140 C 1 ATOM 2895 C CG . GLU C 3 140 ? 1.111 17.870 -19.468 1.00 79.82 140 C 1 ATOM 2896 C CD . GLU C 3 140 ? 1.593 18.988 -18.521 1.00 81.32 140 C 1 ATOM 2897 O OE1 . GLU C 3 140 ? 2.093 18.653 -17.421 1.00 73.32 140 C 1 ATOM 2898 O OE2 . GLU C 3 140 ? 1.468 20.176 -18.878 1.00 76.69 140 C 1 ATOM 2899 N N . PHE C 3 141 ? 1.369 17.027 -23.312 1.00 93.10 141 C 1 ATOM 2900 C CA . PHE C 3 141 ? 2.450 16.423 -24.076 1.00 93.60 141 C 1 ATOM 2901 C C . PHE C 3 141 ? 3.633 17.374 -24.182 1.00 93.87 141 C 1 ATOM 2902 O O . PHE C 3 141 ? 3.462 18.588 -24.257 1.00 92.73 141 C 1 ATOM 2903 C CB . PHE C 3 141 ? 1.968 15.997 -25.469 1.00 92.85 141 C 1 ATOM 2904 C CG . PHE C 3 141 ? 0.868 14.966 -25.451 1.00 92.11 141 C 1 ATOM 2905 C CD1 . PHE C 3 141 ? 1.183 13.595 -25.534 1.00 85.78 141 C 1 ATOM 2906 C CD2 . PHE C 3 141 ? -0.483 15.363 -25.355 1.00 86.30 141 C 1 ATOM 2907 C CE1 . PHE C 3 141 ? 0.158 12.642 -25.520 1.00 85.10 141 C 1 ATOM 2908 C CE2 . PHE C 3 141 ? -1.509 14.404 -25.331 1.00 84.32 141 C 1 ATOM 2909 C CZ . PHE C 3 141 ? -1.183 13.042 -25.419 1.00 88.01 141 C 1 ATOM 2910 N N . GLU C 3 142 ? 4.835 16.826 -24.222 1.00 94.68 142 C 1 ATOM 2911 C CA . GLU C 3 142 ? 6.031 17.512 -24.686 1.00 95.02 142 C 1 ATOM 2912 C C . GLU C 3 142 ? 6.618 16.758 -25.868 1.00 95.53 142 C 1 ATOM 2913 O O . GLU C 3 142 ? 6.705 15.532 -25.847 1.00 95.03 142 C 1 ATOM 2914 C CB . GLU C 3 142 ? 7.076 17.641 -23.579 1.00 93.48 142 C 1 ATOM 2915 C CG . GLU C 3 142 ? 6.811 18.814 -22.641 1.00 87.84 142 C 1 ATOM 2916 C CD . GLU C 3 142 ? 7.850 18.900 -21.515 1.00 89.83 142 C 1 ATOM 2917 O OE1 . GLU C 3 142 ? 7.849 19.897 -20.770 1.00 82.67 142 C 1 ATOM 2918 O OE2 . GLU C 3 142 ? 8.662 17.953 -21.373 1.00 84.58 142 C 1 ATOM 2919 N N . ALA C 3 143 ? 7.048 17.507 -26.866 1.00 95.01 143 C 1 ATOM 2920 C CA . ALA C 3 143 ? 7.707 16.979 -28.036 1.00 94.93 143 C 1 ATOM 2921 C C . ALA C 3 143 ? 9.064 17.657 -28.255 1.00 94.96 143 C 1 ATOM 2922 O O . ALA C 3 143 ? 9.262 18.804 -27.858 1.00 93.55 143 C 1 ATOM 2923 C CB . ALA C 3 143 ? 6.775 17.138 -29.240 1.00 93.81 143 C 1 ATOM 2924 N N . ARG C 3 144 ? 9.995 16.954 -28.892 1.00 95.72 144 C 1 ATOM 2925 C CA . ARG C 3 144 ? 11.294 17.488 -29.312 1.00 95.71 144 C 1 ATOM 2926 C C . ARG C 3 144 ? 11.702 16.921 -30.666 1.00 95.48 144 C 1 ATOM 2927 O O . ARG C 3 144 ? 11.350 15.793 -31.002 1.00 94.54 144 C 1 ATOM 2928 C CB . ARG C 3 144 ? 12.351 17.247 -28.221 1.00 94.52 144 C 1 ATOM 2929 C CG . ARG C 3 144 ? 12.651 15.768 -27.956 1.00 93.58 144 C 1 ATOM 2930 C CD . ARG C 3 144 ? 13.633 15.641 -26.782 1.00 93.59 144 C 1 ATOM 2931 N NE . ARG C 3 144 ? 14.036 14.258 -26.551 1.00 92.76 144 C 1 ATOM 2932 C CZ . ARG C 3 144 ? 14.918 13.845 -25.653 1.00 92.93 144 C 1 ATOM 2933 N NH1 . ARG C 3 144 ? 15.492 14.672 -24.821 1.00 88.57 144 C 1 ATOM 2934 N NH2 . ARG C 3 144 ? 15.242 12.590 -25.584 1.00 88.88 144 C 1 ATOM 2935 N N . THR C 3 145 ? 12.456 17.719 -31.415 1.00 94.81 145 C 1 ATOM 2936 C CA . THR C 3 145 ? 12.926 17.358 -32.755 1.00 94.31 145 C 1 ATOM 2937 C C . THR C 3 145 ? 14.441 17.457 -32.796 1.00 93.90 145 C 1 ATOM 2938 O O . THR C 3 145 ? 14.994 18.532 -32.569 1.00 92.00 145 C 1 ATOM 2939 C CB . THR C 3 145 ? 12.297 18.263 -33.821 1.00 93.34 145 C 1 ATOM 2940 O OG1 . THR C 3 145 ? 10.894 18.230 -33.707 1.00 86.90 145 C 1 ATOM 2941 C CG2 . THR C 3 145 ? 12.637 17.804 -35.237 1.00 86.03 145 C 1 ATOM 2942 N N . LEU C 3 146 ? 15.100 16.344 -33.072 1.00 94.08 146 C 1 ATOM 2943 C CA . LEU C 3 146 ? 16.538 16.284 -33.268 1.00 93.63 146 C 1 ATOM 2944 C C . LEU C 3 146 ? 16.873 16.719 -34.695 1.00 93.41 146 C 1 ATOM 2945 O O . LEU C 3 146 ? 16.423 16.098 -35.665 1.00 91.65 146 C 1 ATOM 2946 C CB . LEU C 3 146 ? 17.026 14.859 -32.973 1.00 92.54 146 C 1 ATOM 2947 C CG . LEU C 3 146 ? 18.546 14.685 -33.091 1.00 90.48 146 C 1 ATOM 2948 C CD1 . LEU C 3 146 ? 19.300 15.504 -32.036 1.00 83.55 146 C 1 ATOM 2949 C CD2 . LEU C 3 146 ? 18.912 13.214 -32.883 1.00 84.10 146 C 1 ATOM 2950 N N . SER C 3 147 ? 17.674 17.778 -34.798 1.00 92.30 147 C 1 ATOM 2951 C CA . SER C 3 147 ? 18.210 18.272 -36.061 1.00 90.97 147 C 1 ATOM 2952 C C . SER C 3 147 ? 19.630 17.730 -36.287 1.00 91.27 147 C 1 ATOM 2953 O O . SER C 3 147 ? 20.338 17.454 -35.312 1.00 88.50 147 C 1 ATOM 2954 C CB . SER C 3 147 ? 18.223 19.799 -36.072 1.00 87.84 147 C 1 ATOM 2955 O OG . SER C 3 147 ? 16.911 20.297 -35.865 1.00 78.02 147 C 1 ATOM 2956 N N . PRO C 3 148 ? 20.097 17.612 -37.530 1.00 90.34 148 C 1 ATOM 2957 C CA . PRO C 3 148 ? 21.464 17.183 -37.812 1.00 88.31 148 C 1 ATOM 2958 C C . PRO C 3 148 ? 22.498 18.067 -37.109 1.00 88.11 148 C 1 ATOM 2959 O O . PRO C 3 148 ? 22.414 19.296 -37.149 1.00 83.40 148 C 1 ATOM 2960 C CB . PRO C 3 148 ? 21.615 17.262 -39.335 1.00 86.15 148 C 1 ATOM 2961 C CG . PRO C 3 148 ? 20.179 17.159 -39.853 1.00 84.50 148 C 1 ATOM 2962 C CD . PRO C 3 148 ? 19.372 17.852 -38.766 1.00 87.60 148 C 1 ATOM 2963 N N . GLY C 3 149 ? 23.489 17.434 -36.475 1.00 86.49 149 C 1 ATOM 2964 C CA . GLY C 3 149 ? 24.565 18.139 -35.770 1.00 86.10 149 C 1 ATOM 2965 C C . GLY C 3 149 ? 24.240 18.581 -34.339 1.00 88.18 149 C 1 ATOM 2966 O O . GLY C 3 149 ? 25.124 19.105 -33.673 1.00 83.91 149 C 1 ATOM 2967 N N . HIS C 3 150 ? 23.019 18.349 -33.853 1.00 90.34 150 C 1 ATOM 2968 C CA . HIS C 3 150 ? 22.597 18.646 -32.487 1.00 91.08 150 C 1 ATOM 2969 C C . HIS C 3 150 ? 22.377 17.373 -31.665 1.00 92.63 150 C 1 ATOM 2970 O O . HIS C 3 150 ? 22.241 16.275 -32.202 1.00 89.67 150 C 1 ATOM 2971 C CB . HIS C 3 150 ? 21.353 19.541 -32.523 1.00 88.33 150 C 1 ATOM 2972 C CG . HIS C 3 150 ? 21.648 20.895 -33.101 1.00 84.45 150 C 1 ATOM 2973 N ND1 . HIS C 3 150 ? 22.335 21.902 -32.461 1.00 72.60 150 C 1 ATOM 2974 C CD2 . HIS C 3 150 ? 21.337 21.363 -34.353 1.00 72.36 150 C 1 ATOM 2975 C CE1 . HIS C 3 150 ? 22.434 22.939 -33.307 1.00 72.72 150 C 1 ATOM 2976 N NE2 . HIS C 3 150 ? 21.838 22.655 -34.468 1.00 73.59 150 C 1 ATOM 2977 N N . THR C 3 151 ? 22.307 17.534 -30.337 1.00 91.84 151 C 1 ATOM 2978 C CA . THR C 3 151 ? 21.932 16.467 -29.408 1.00 92.07 151 C 1 ATOM 2979 C C . THR C 3 151 ? 20.462 16.577 -28.996 1.00 92.57 151 C 1 ATOM 2980 O O . THR C 3 151 ? 19.798 17.593 -29.212 1.00 90.69 151 C 1 ATOM 2981 C CB . THR C 3 151 ? 22.840 16.450 -28.167 1.00 90.34 151 C 1 ATOM 2982 O OG1 . THR C 3 151 ? 22.586 17.576 -27.375 1.00 84.54 151 C 1 ATOM 2983 C CG2 . THR C 3 151 ? 24.328 16.408 -28.507 1.00 83.34 151 C 1 ATOM 2984 N N . TRP C 3 152 ? 19.915 15.524 -28.386 1.00 93.13 152 C 1 ATOM 2985 C CA . TRP C 3 152 ? 18.553 15.543 -27.853 1.00 93.41 152 C 1 ATOM 2986 C C . TRP C 3 152 ? 18.380 16.528 -26.688 1.00 92.88 152 C 1 ATOM 2987 O O . TRP C 3 152 ? 17.286 17.041 -26.492 1.00 90.08 152 C 1 ATOM 2988 C CB . TRP C 3 152 ? 18.166 14.141 -27.397 1.00 92.84 152 C 1 ATOM 2989 C CG . TRP C 3 152 ? 17.760 13.207 -28.486 1.00 93.01 152 C 1 ATOM 2990 C CD1 . TRP C 3 152 ? 18.384 12.061 -28.834 1.00 90.60 152 C 1 ATOM 2991 C CD2 . TRP C 3 152 ? 16.582 13.297 -29.351 1.00 93.45 152 C 1 ATOM 2992 N NE1 . TRP C 3 152 ? 17.673 11.419 -29.841 1.00 90.94 152 C 1 ATOM 2993 C CE2 . TRP C 3 152 ? 16.565 12.154 -30.182 1.00 92.15 152 C 1 ATOM 2994 C CE3 . TRP C 3 152 ? 15.545 14.247 -29.489 1.00 92.39 152 C 1 ATOM 2995 C CZ2 . TRP C 3 152 ? 15.533 11.941 -31.131 1.00 91.87 152 C 1 ATOM 2996 C CZ3 . TRP C 3 152 ? 14.526 14.035 -30.438 1.00 91.83 152 C 1 ATOM 2997 C CH2 . TRP C 3 152 ? 14.527 12.899 -31.242 1.00 91.74 152 C 1 ATOM 2998 N N . GLU C 3 153 ? 19.427 16.768 -25.906 1.00 93.51 153 C 1 ATOM 2999 C CA . GLU C 3 153 ? 19.446 17.697 -24.781 1.00 92.06 153 C 1 ATOM 3000 C C . GLU C 3 153 ? 19.351 19.156 -25.241 1.00 91.81 153 C 1 ATOM 3001 O O . GLU C 3 153 ? 18.766 19.980 -24.549 1.00 90.26 153 C 1 ATOM 3002 C CB . GLU C 3 153 ? 20.724 17.484 -23.956 1.00 90.94 153 C 1 ATOM 3003 C CG . GLU C 3 153 ? 20.837 16.116 -23.254 1.00 80.23 153 C 1 ATOM 3004 C CD . GLU C 3 153 ? 21.050 14.910 -24.178 1.00 69.84 153 C 1 ATOM 3005 O OE1 . GLU C 3 153 ? 20.655 13.795 -23.759 1.00 61.64 153 C 1 ATOM 3006 O OE2 . GLU C 3 153 ? 21.541 15.093 -25.315 1.00 62.51 153 C 1 ATOM 3007 N N . GLU C 3 154 ? 19.887 19.474 -26.429 1.00 91.29 154 C 1 ATOM 3008 C CA . GLU C 3 154 ? 19.832 20.806 -27.045 1.00 89.88 154 C 1 ATOM 3009 C C . GLU C 3 154 ? 18.518 21.058 -27.797 1.00 89.60 154 C 1 ATOM 3010 O O . GLU C 3 154 ? 18.209 22.203 -28.146 1.00 87.07 154 C 1 ATOM 3011 C CB . GLU C 3 154 ? 21.012 20.950 -28.018 1.00 87.35 154 C 1 ATOM 3012 C CG . GLU C 3 154 ? 22.377 20.931 -27.324 1.00 81.34 154 C 1 ATOM 3013 C CD . GLU C 3 154 ? 23.541 20.769 -28.316 1.00 78.22 154 C 1 ATOM 3014 O OE1 . GLU C 3 154 ? 24.681 21.106 -27.921 1.00 70.61 154 C 1 ATOM 3015 O OE2 . GLU C 3 154 ? 23.306 20.279 -29.441 1.00 74.07 154 C 1 ATOM 3016 N N . ALA C 3 155 ? 17.739 20.010 -28.053 1.00 91.49 155 C 1 ATOM 3017 C CA . ALA C 3 155 ? 16.512 20.126 -28.824 1.00 90.86 155 C 1 ATOM 3018 C C . ALA C 3 155 ? 15.443 20.913 -28.040 1.00 90.42 155 C 1 ATOM 3019 O O . ALA C 3 155 ? 15.119 20.563 -26.899 1.00 88.19 155 C 1 ATOM 3020 C CB . ALA C 3 155 ? 16.022 18.734 -29.227 1.00 89.49 155 C 1 ATOM 3021 N N . PRO C 3 156 ? 14.816 21.939 -28.646 1.00 89.05 156 C 1 ATOM 3022 C CA . PRO C 3 156 ? 13.778 22.718 -27.982 1.00 87.36 156 C 1 ATOM 3023 C C . PRO C 3 156 ? 12.557 21.852 -27.676 1.00 89.05 156 C 1 ATOM 3024 O O . PRO C 3 156 ? 12.109 21.043 -28.495 1.00 87.61 156 C 1 ATOM 3025 C CB . PRO C 3 156 ? 13.463 23.877 -28.928 1.00 84.35 156 C 1 ATOM 3026 C CG . PRO C 3 156 ? 13.837 23.325 -30.304 1.00 80.40 156 C 1 ATOM 3027 C CD . PRO C 3 156 ? 15.028 22.413 -29.998 1.00 83.33 156 C 1 ATOM 3028 N N . LEU C 3 157 ? 11.993 22.074 -26.479 1.00 90.67 157 C 1 ATOM 3029 C CA . LEU C 3 157 ? 10.769 21.411 -26.045 1.00 90.85 157 C 1 ATOM 3030 C C . LEU C 3 157 ? 9.538 22.182 -26.536 1.00 90.42 157 C 1 ATOM 3031 O O . LEU C 3 157 ? 9.365 23.367 -26.252 1.00 87.83 157 C 1 ATOM 3032 C CB . LEU C 3 157 ? 10.757 21.273 -24.511 1.00 89.26 157 C 1 ATOM 3033 C CG . LEU C 3 157 ? 11.837 20.341 -23.939 1.00 86.51 157 C 1 ATOM 3034 C CD1 . LEU C 3 157 ? 11.837 20.414 -22.416 1.00 80.49 157 C 1 ATOM 3035 C CD2 . LEU C 3 157 ? 11.604 18.884 -24.342 1.00 81.03 157 C 1 ATOM 3036 N N . LEU C 3 158 ? 8.653 21.481 -27.233 1.00 91.65 158 C 1 ATOM 3037 C CA . LEU C 3 158 ? 7.339 21.962 -27.647 1.00 91.14 158 C 1 ATOM 3038 C C . LEU C 3 158 ? 6.289 21.387 -26.707 1.00 92.43 158 C 1 ATOM 3039 O O . LEU C 3 158 ? 6.064 20.183 -26.666 1.00 91.07 158 C 1 ATOM 3040 C CB . LEU C 3 158 ? 7.082 21.538 -29.100 1.00 89.17 158 C 1 ATOM 3041 C CG . LEU C 3 158 ? 8.006 22.209 -30.131 1.00 78.70 158 C 1 ATOM 3042 C CD1 . LEU C 3 158 ? 7.836 21.530 -31.489 1.00 71.10 158 C 1 ATOM 3043 C CD2 . LEU C 3 158 ? 7.694 23.693 -30.282 1.00 69.81 158 C 1 ATOM 3044 N N . THR C 3 159 ? 5.616 22.268 -25.931 1.00 91.86 159 C 1 ATOM 3045 C CA . THR C 3 159 ? 4.593 21.848 -24.972 1.00 90.91 159 C 1 ATOM 3046 C C . THR C 3 159 ? 3.191 21.954 -25.562 1.00 91.13 159 C 1 ATOM 3047 O O . THR C 3 159 ? 2.771 23.020 -26.008 1.00 88.78 159 C 1 ATOM 3048 C CB . THR C 3 159 ? 4.674 22.667 -23.675 1.00 88.39 159 C 1 ATOM 3049 O OG1 . THR C 3 159 ? 5.987 22.719 -23.181 1.00 79.02 159 C 1 ATOM 3050 C CG2 . THR C 3 159 ? 3.803 22.062 -22.571 1.00 75.48 159 C 1 ATOM 3051 N N . LEU C 3 160 ? 2.431 20.865 -25.499 1.00 90.26 160 C 1 ATOM 3052 C CA . LEU C 3 160 ? 1.018 20.779 -25.872 1.00 89.21 160 C 1 ATOM 3053 C C . LEU C 3 160 ? 0.189 20.608 -24.595 1.00 88.61 160 C 1 ATOM 3054 O O . LEU C 3 160 ? 0.093 19.511 -24.047 1.00 86.53 160 C 1 ATOM 3055 C CB . LEU C 3 160 ? 0.811 19.611 -26.848 1.00 88.39 160 C 1 ATOM 3056 C CG . LEU C 3 160 ? 1.641 19.675 -28.142 1.00 84.97 160 C 1 ATOM 3057 C CD1 . LEU C 3 160 ? 1.481 18.369 -28.907 1.00 76.81 160 C 1 ATOM 3058 C CD2 . LEU C 3 160 ? 1.196 20.823 -29.038 1.00 76.19 160 C 1 ATOM 3059 N N . LYS C 3 161 ? -0.436 21.691 -24.108 1.00 85.97 161 C 1 ATOM 3060 C CA . LYS C 3 161 ? -1.238 21.716 -22.869 1.00 83.11 161 C 1 ATOM 3061 C C . LYS C 3 161 ? -2.674 21.202 -23.054 1.00 82.26 161 C 1 ATOM 3062 O O . LYS C 3 161 ? -3.610 21.664 -22.390 1.00 77.57 161 C 1 ATOM 3063 C CB . LYS C 3 161 ? -1.215 23.108 -22.234 1.00 80.49 161 C 1 ATOM 3064 C CG . LYS C 3 161 ? 0.193 23.538 -21.812 1.00 75.25 161 C 1 ATOM 3065 C CD . LYS C 3 161 ? 0.109 24.834 -21.011 1.00 68.10 161 C 1 ATOM 3066 C CE . LYS C 3 161 ? 1.512 25.235 -20.536 1.00 60.69 161 C 1 ATOM 3067 N NZ . LYS C 3 161 ? 1.474 26.434 -19.680 1.00 53.39 161 C 1 ATOM 3068 N N . GLN C 3 162 ? -2.894 20.286 -23.974 1.00 82.96 162 C 1 ATOM 3069 C CA . GLN C 3 162 ? -4.188 19.717 -24.302 1.00 80.77 162 C 1 ATOM 3070 C C . GLN C 3 162 ? -4.009 18.284 -24.804 1.00 80.71 162 C 1 ATOM 3071 O O . GLN C 3 162 ? -2.921 17.904 -25.241 1.00 76.46 162 C 1 ATOM 3072 C CB . GLN C 3 162 ? -4.918 20.601 -25.331 1.00 76.29 162 C 1 ATOM 3073 C CG . GLN C 3 162 ? -4.162 20.786 -26.658 1.00 67.88 162 C 1 ATOM 3074 C CD . GLN C 3 162 ? -4.861 21.760 -27.610 1.00 64.70 162 C 1 ATOM 3075 O OE1 . GLN C 3 162 ? -5.887 22.349 -27.302 1.00 58.42 162 C 1 ATOM 3076 N NE2 . GLN C 3 162 ? -4.334 21.970 -28.795 1.00 55.35 162 C 1 ATOM 3077 N N . LYS C 3 163 ? -5.079 17.498 -24.755 1.00 78.36 163 C 1 ATOM 3078 C CA . LYS C 3 163 ? -5.090 16.150 -25.322 1.00 77.40 163 C 1 ATOM 3079 C C . LYS C 3 163 ? -5.062 16.235 -26.855 1.00 78.62 163 C 1 ATOM 3080 O O . LYS C 3 163 ? -6.104 16.215 -27.508 1.00 73.96 163 C 1 ATOM 3081 C CB . LYS C 3 163 ? -6.273 15.341 -24.784 1.00 71.93 163 C 1 ATOM 3082 C CG . LYS C 3 163 ? -6.149 13.868 -25.196 1.00 66.06 163 C 1 ATOM 3083 C CD . LYS C 3 163 ? -7.337 13.020 -24.738 1.00 61.62 163 C 1 ATOM 3084 C CE . LYS C 3 163 ? -7.111 11.601 -25.264 1.00 55.88 163 C 1 ATOM 3085 N NZ . LYS C 3 163 ? -8.224 10.682 -24.953 1.00 50.59 163 C 1 ATOM 3086 N N . GLN C 3 164 ? -3.878 16.369 -27.388 1.00 81.37 164 C 1 ATOM 3087 C CA . GLN C 3 164 ? -3.610 16.422 -28.820 1.00 83.44 164 C 1 ATOM 3088 C C . GLN C 3 164 ? -2.573 15.350 -29.159 1.00 85.60 164 C 1 ATOM 3089 O O . GLN C 3 164 ? -1.442 15.423 -28.698 1.00 82.97 164 C 1 ATOM 3090 C CB . GLN C 3 164 ? -3.139 17.835 -29.188 1.00 80.70 164 C 1 ATOM 3091 C CG . GLN C 3 164 ? -2.820 17.980 -30.679 1.00 78.26 164 C 1 ATOM 3092 C CD . GLN C 3 164 ? -2.443 19.414 -31.053 1.00 75.65 164 C 1 ATOM 3093 O OE1 . GLN C 3 164 ? -2.922 20.373 -30.480 1.00 70.13 164 C 1 ATOM 3094 N NE2 . GLN C 3 164 ? -1.590 19.600 -32.025 1.00 66.79 164 C 1 ATOM 3095 N N . GLU C 3 165 ? -2.971 14.369 -29.941 1.00 84.72 165 C 1 ATOM 3096 C CA . GLU C 3 165 ? -2.144 13.217 -30.325 1.00 87.46 165 C 1 ATOM 3097 C C . GLU C 3 165 ? -1.487 13.411 -31.708 1.00 89.00 165 C 1 ATOM 3098 O O . GLU C 3 165 ? -1.239 12.465 -32.452 1.00 86.36 165 C 1 ATOM 3099 C CB . GLU C 3 165 ? -2.984 11.932 -30.218 1.00 85.59 165 C 1 ATOM 3100 C CG . GLU C 3 165 ? -3.367 11.632 -28.763 1.00 82.87 165 C 1 ATOM 3101 C CD . GLU C 3 165 ? -4.422 10.526 -28.586 1.00 79.79 165 C 1 ATOM 3102 O OE1 . GLU C 3 165 ? -4.810 10.284 -27.418 1.00 71.84 165 C 1 ATOM 3103 O OE2 . GLU C 3 165 ? -4.934 10.000 -29.592 1.00 73.55 165 C 1 ATOM 3104 N N . TRP C 3 166 ? -1.214 14.663 -32.061 1.00 91.68 166 C 1 ATOM 3105 C CA . TRP C 3 166 ? -0.541 15.049 -33.300 1.00 92.25 166 C 1 ATOM 3106 C C . TRP C 3 166 ? 0.128 16.416 -33.161 1.00 92.67 166 C 1 ATOM 3107 O O . TRP C 3 166 ? -0.261 17.234 -32.327 1.00 90.93 166 C 1 ATOM 3108 C CB . TRP C 3 166 ? -1.552 15.052 -34.465 1.00 89.78 166 C 1 ATOM 3109 C CG . TRP C 3 166 ? -2.656 16.059 -34.349 1.00 84.81 166 C 1 ATOM 3110 C CD1 . TRP C 3 166 ? -3.833 15.864 -33.709 1.00 77.07 166 C 1 ATOM 3111 C CD2 . TRP C 3 166 ? -2.682 17.438 -34.847 1.00 81.02 166 C 1 ATOM 3112 N NE1 . TRP C 3 166 ? -4.594 17.027 -33.767 1.00 69.36 166 C 1 ATOM 3113 C CE2 . TRP C 3 166 ? -3.929 18.016 -34.458 1.00 75.06 166 C 1 ATOM 3114 C CE3 . TRP C 3 166 ? -1.781 18.227 -35.584 1.00 70.48 166 C 1 ATOM 3115 C CZ2 . TRP C 3 166 ? -4.258 19.350 -34.772 1.00 72.01 166 C 1 ATOM 3116 C CZ3 . TRP C 3 166 ? -2.115 19.561 -35.897 1.00 68.40 166 C 1 ATOM 3117 C CH2 . TRP C 3 166 ? -3.335 20.117 -35.488 1.00 67.24 166 C 1 ATOM 3118 N N . ILE C 3 167 ? 1.106 16.690 -34.020 1.00 92.55 167 C 1 ATOM 3119 C CA . ILE C 3 167 ? 1.774 17.982 -34.135 1.00 93.20 167 C 1 ATOM 3120 C C . ILE C 3 167 ? 2.079 18.306 -35.591 1.00 93.24 167 C 1 ATOM 3121 O O . ILE C 3 167 ? 2.388 17.417 -36.391 1.00 92.17 167 C 1 ATOM 3122 C CB . ILE C 3 167 ? 3.028 18.020 -33.237 1.00 92.62 167 C 1 ATOM 3123 C CG1 . ILE C 3 167 ? 3.521 19.463 -33.036 1.00 87.64 167 C 1 ATOM 3124 C CG2 . ILE C 3 167 ? 4.149 17.104 -33.784 1.00 85.97 167 C 1 ATOM 3125 C CD1 . ILE C 3 167 ? 4.553 19.593 -31.914 1.00 81.46 167 C 1 ATOM 3126 N N . CYS C 3 168 ? 2.020 19.587 -35.931 1.00 91.97 168 C 1 ATOM 3127 C CA . CYS C 3 168 ? 2.551 20.115 -37.178 1.00 91.20 168 C 1 ATOM 3128 C C . CYS C 3 168 ? 3.882 20.811 -36.877 1.00 91.30 168 C 1 ATOM 3129 O O . CYS C 3 168 ? 3.902 21.859 -36.236 1.00 90.54 168 C 1 ATOM 3130 C CB . CYS C 3 168 ? 1.518 21.048 -37.810 1.00 89.06 168 C 1 ATOM 3131 S SG . CYS C 3 168 ? 2.098 21.600 -39.434 1.00 71.77 168 C 1 ATOM 3132 N N . LEU C 3 169 ? 4.982 20.215 -37.309 1.00 91.58 169 C 1 ATOM 3133 C CA . LEU C 3 169 ? 6.301 20.830 -37.270 1.00 91.70 169 C 1 ATOM 3134 C C . LEU C 3 169 ? 6.440 21.762 -38.472 1.00 91.88 169 C 1 ATOM 3135 O O . LEU C 3 169 ? 6.208 21.344 -39.610 1.00 90.05 169 C 1 ATOM 3136 C CB . LEU C 3 169 ? 7.396 19.752 -37.283 1.00 91.86 169 C 1 ATOM 3137 C CG . LEU C 3 169 ? 7.311 18.730 -36.135 1.00 91.88 169 C 1 ATOM 3138 C CD1 . LEU C 3 169 ? 8.391 17.668 -36.323 1.00 86.78 169 C 1 ATOM 3139 C CD2 . LEU C 3 169 ? 7.502 19.378 -34.764 1.00 86.75 169 C 1 ATOM 3140 N N . GLU C 3 170 ? 6.831 23.007 -38.202 1.00 90.73 170 C 1 ATOM 3141 C CA . GLU C 3 170 ? 7.027 24.042 -39.218 1.00 89.52 170 C 1 ATOM 3142 C C . GLU C 3 170 ? 8.500 24.490 -39.260 1.00 89.03 170 C 1 ATOM 3143 O O . GLU C 3 170 ? 9.310 24.081 -38.432 1.00 85.87 170 C 1 ATOM 3144 C CB . GLU C 3 170 ? 6.075 25.224 -38.987 1.00 87.24 170 C 1 ATOM 3145 C CG . GLU C 3 170 ? 4.597 24.832 -38.902 1.00 82.09 170 C 1 ATOM 3146 C CD . GLU C 3 170 ? 3.674 26.016 -39.233 1.00 78.84 170 C 1 ATOM 3147 O OE1 . GLU C 3 170 ? 2.716 25.809 -40.015 1.00 69.40 170 C 1 ATOM 3148 O OE2 . GLU C 3 170 ? 3.959 27.151 -38.801 1.00 71.10 170 C 1 ATOM 3149 N N . THR C 3 171 ? 8.837 25.333 -40.234 1.00 90.27 171 C 1 ATOM 3150 C CA . THR C 3 171 ? 10.181 25.929 -40.396 1.00 89.98 171 C 1 ATOM 3151 C C . THR C 3 171 ? 11.319 24.911 -40.519 1.00 90.60 171 C 1 ATOM 3152 O O . THR C 3 171 ? 12.461 25.192 -40.166 1.00 87.58 171 C 1 ATOM 3153 C CB . THR C 3 171 ? 10.470 27.016 -39.337 1.00 87.84 171 C 1 ATOM 3154 O OG1 . THR C 3 171 ? 10.464 26.493 -38.038 1.00 80.52 171 C 1 ATOM 3155 C CG2 . THR C 3 171 ? 9.430 28.134 -39.381 1.00 77.41 171 C 1 ATOM 3156 N N . LEU C 3 172 ? 11.015 23.720 -41.049 1.00 90.60 172 C 1 ATOM 3157 C CA . LEU C 3 172 ? 12.014 22.689 -41.297 1.00 90.94 172 C 1 ATOM 3158 C C . LEU C 3 172 ? 12.850 23.016 -42.544 1.00 91.19 172 C 1 ATOM 3159 O O . LEU C 3 172 ? 12.383 23.652 -43.491 1.00 89.28 172 C 1 ATOM 3160 C CB . LEU C 3 172 ? 11.324 21.314 -41.427 1.00 90.84 172 C 1 ATOM 3161 C CG . LEU C 3 172 ? 10.468 20.894 -40.220 1.00 91.10 172 C 1 ATOM 3162 C CD1 . LEU C 3 172 ? 9.823 19.542 -40.510 1.00 85.90 172 C 1 ATOM 3163 C CD2 . LEU C 3 172 ? 11.279 20.772 -38.938 1.00 85.70 172 C 1 ATOM 3164 N N . THR C 3 173 ? 14.089 22.543 -42.543 1.00 92.26 173 C 1 ATOM 3165 C CA . THR C 3 173 ? 14.985 22.673 -43.698 1.00 91.75 173 C 1 ATOM 3166 C C . THR C 3 173 ? 14.640 21.617 -44.758 1.00 92.17 173 C 1 ATOM 3167 O O . THR C 3 173 ? 14.387 20.465 -44.391 1.00 91.05 173 C 1 ATOM 3168 C CB . THR C 3 173 ? 16.457 22.557 -43.273 1.00 90.31 173 C 1 ATOM 3169 O OG1 . THR C 3 173 ? 16.704 23.439 -42.203 1.00 84.38 173 C 1 ATOM 3170 C CG2 . THR C 3 173 ? 17.430 22.930 -44.379 1.00 82.27 173 C 1 ATOM 3171 N N . PRO C 3 174 ? 14.616 21.960 -46.045 1.00 93.16 174 C 1 ATOM 3172 C CA . PRO C 3 174 ? 14.402 20.983 -47.112 1.00 92.70 174 C 1 ATOM 3173 C C . PRO C 3 174 ? 15.474 19.886 -47.150 1.00 92.56 174 C 1 ATOM 3174 O O . PRO C 3 174 ? 16.606 20.098 -46.737 1.00 90.62 174 C 1 ATOM 3175 C CB . PRO C 3 174 ? 14.415 21.778 -48.422 1.00 91.55 174 C 1 ATOM 3176 C CG . PRO C 3 174 ? 14.078 23.195 -47.991 1.00 89.98 174 C 1 ATOM 3177 C CD . PRO C 3 174 ? 14.685 23.295 -46.597 1.00 92.48 174 C 1 ATOM 3178 N N . ASP C 3 175 ? 15.100 18.721 -47.646 1.00 91.12 175 C 1 ATOM 3179 C CA . ASP C 3 175 ? 15.972 17.565 -47.849 1.00 91.50 175 C 1 ATOM 3180 C C . ASP C 3 175 ? 16.833 17.189 -46.634 1.00 91.94 175 C 1 ATOM 3181 O O . ASP C 3 175 ? 17.991 16.784 -46.746 1.00 88.26 175 C 1 ATOM 3182 C CB . ASP C 3 175 ? 16.782 17.712 -49.154 1.00 90.04 175 C 1 ATOM 3183 C CG . ASP C 3 175 ? 17.363 16.363 -49.588 1.00 89.21 175 C 1 ATOM 3184 O OD1 . ASP C 3 175 ? 16.672 15.334 -49.389 1.00 83.83 175 C 1 ATOM 3185 O OD2 . ASP C 3 175 ? 18.501 16.322 -50.093 1.00 83.47 175 C 1 ATOM 3186 N N . THR C 3 176 ? 16.265 17.350 -45.446 1.00 91.96 176 C 1 ATOM 3187 C CA . THR C 3 176 ? 16.969 17.161 -44.177 1.00 92.00 176 C 1 ATOM 3188 C C . THR C 3 176 ? 16.361 16.008 -43.389 1.00 92.61 176 C 1 ATOM 3189 O O . THR C 3 176 ? 15.134 15.870 -43.306 1.00 91.16 176 C 1 ATOM 3190 C CB . THR C 3 176 ? 16.989 18.461 -43.380 1.00 90.94 176 C 1 ATOM 3191 O OG1 . THR C 3 176 ? 17.630 19.457 -44.140 1.00 83.43 176 C 1 ATOM 3192 C CG2 . THR C 3 176 ? 17.780 18.344 -42.089 1.00 82.42 176 C 1 ATOM 3193 N N . GLN C 3 177 ? 17.220 15.167 -42.798 1.00 94.28 177 C 1 ATOM 3194 C CA . GLN C 3 177 ? 16.804 14.088 -41.926 1.00 94.03 177 C 1 ATOM 3195 C C . GLN C 3 177 ? 16.647 14.600 -40.489 1.00 94.12 177 C 1 ATOM 3196 O O . GLN C 3 177 ? 17.558 15.214 -39.946 1.00 92.61 177 C 1 ATOM 3197 C CB . GLN C 3 177 ? 17.778 12.916 -42.045 1.00 92.09 177 C 1 ATOM 3198 C CG . GLN C 3 177 ? 17.291 11.685 -41.266 1.00 81.95 177 C 1 ATOM 3199 C CD . GLN C 3 177 ? 18.059 10.400 -41.619 1.00 75.83 177 C 1 ATOM 3200 O OE1 . GLN C 3 177 ? 18.905 10.362 -42.501 1.00 68.72 177 C 1 ATOM 3201 N NE2 . GLN C 3 177 ? 17.759 9.308 -40.964 1.00 64.95 177 C 1 ATOM 3202 N N . TYR C 3 178 ? 15.503 14.323 -39.879 1.00 93.73 178 C 1 ATOM 3203 C CA . TYR C 3 178 ? 15.158 14.653 -38.503 1.00 94.24 178 C 1 ATOM 3204 C C . TYR C 3 178 ? 14.766 13.397 -37.744 1.00 94.57 178 C 1 ATOM 3205 O O . TYR C 3 178 ? 14.342 12.395 -38.333 1.00 93.06 178 C 1 ATOM 3206 C CB . TYR C 3 178 ? 13.998 15.659 -38.500 1.00 93.94 178 C 1 ATOM 3207 C CG . TYR C 3 178 ? 14.349 17.017 -39.058 1.00 94.22 178 C 1 ATOM 3208 C CD1 . TYR C 3 178 ? 14.937 17.984 -38.230 1.00 89.49 178 C 1 ATOM 3209 C CD2 . TYR C 3 178 ? 14.091 17.333 -40.409 1.00 89.95 178 C 1 ATOM 3210 C CE1 . TYR C 3 178 ? 15.273 19.253 -38.728 1.00 88.94 178 C 1 ATOM 3211 C CE2 . TYR C 3 178 ? 14.422 18.595 -40.922 1.00 88.46 178 C 1 ATOM 3212 C CZ . TYR C 3 178 ? 15.011 19.550 -40.071 1.00 92.39 178 C 1 ATOM 3213 O OH . TYR C 3 178 ? 15.341 20.794 -40.548 1.00 91.51 178 C 1 ATOM 3214 N N . GLU C 3 179 ? 14.835 13.475 -36.422 1.00 94.62 179 C 1 ATOM 3215 C CA . GLU C 3 179 ? 14.177 12.528 -35.533 1.00 94.57 179 C 1 ATOM 3216 C C . GLU C 3 179 ? 13.212 13.265 -34.614 1.00 94.62 179 C 1 ATOM 3217 O O . GLU C 3 179 ? 13.458 14.403 -34.202 1.00 93.76 179 C 1 ATOM 3218 C CB . GLU C 3 179 ? 15.199 11.706 -34.736 1.00 93.53 179 C 1 ATOM 3219 C CG . GLU C 3 179 ? 16.064 10.805 -35.624 1.00 88.97 179 C 1 ATOM 3220 C CD . GLU C 3 179 ? 17.049 9.945 -34.812 1.00 87.70 179 C 1 ATOM 3221 O OE1 . GLU C 3 179 ? 18.015 9.457 -35.438 1.00 79.04 179 C 1 ATOM 3222 O OE2 . GLU C 3 179 ? 16.830 9.764 -33.592 1.00 80.78 179 C 1 ATOM 3223 N N . PHE C 3 180 ? 12.102 12.619 -34.265 1.00 94.69 180 C 1 ATOM 3224 C CA . PHE C 3 180 ? 11.068 13.184 -33.410 1.00 95.22 180 C 1 ATOM 3225 C C . PHE C 3 180 ? 10.774 12.268 -32.228 1.00 96.07 180 C 1 ATOM 3226 O O . PHE C 3 180 ? 10.655 11.055 -32.383 1.00 95.57 180 C 1 ATOM 3227 C CB . PHE C 3 180 ? 9.817 13.450 -34.253 1.00 94.96 180 C 1 ATOM 3228 C CG . PHE C 3 180 ? 8.636 13.943 -33.446 1.00 95.39 180 C 1 ATOM 3229 C CD1 . PHE C 3 180 ? 7.676 13.032 -32.962 1.00 90.38 180 C 1 ATOM 3230 C CD2 . PHE C 3 180 ? 8.492 15.313 -33.172 1.00 90.94 180 C 1 ATOM 3231 C CE1 . PHE C 3 180 ? 6.576 13.495 -32.225 1.00 90.85 180 C 1 ATOM 3232 C CE2 . PHE C 3 180 ? 7.386 15.776 -32.437 1.00 90.36 180 C 1 ATOM 3233 C CZ . PHE C 3 180 ? 6.427 14.869 -31.962 1.00 94.16 180 C 1 ATOM 3234 N N . GLN C 3 181 ? 10.613 12.859 -31.026 1.00 96.18 181 C 1 ATOM 3235 C CA . GLN C 3 181 ? 10.146 12.166 -29.836 1.00 96.28 181 C 1 ATOM 3236 C C . GLN C 3 181 ? 9.035 12.957 -29.154 1.00 96.14 181 C 1 ATOM 3237 O O . GLN C 3 181 ? 9.028 14.188 -29.151 1.00 95.34 181 C 1 ATOM 3238 C CB . GLN C 3 181 ? 11.295 11.924 -28.852 1.00 95.29 181 C 1 ATOM 3239 C CG . GLN C 3 181 ? 12.302 10.888 -29.341 1.00 92.06 181 C 1 ATOM 3240 C CD . GLN C 3 181 ? 13.326 10.538 -28.260 1.00 93.86 181 C 1 ATOM 3241 O OE1 . GLN C 3 181 ? 13.841 11.394 -27.556 1.00 85.38 181 C 1 ATOM 3242 N NE2 . GLN C 3 181 ? 13.639 9.280 -28.073 1.00 84.20 181 C 1 ATOM 3243 N N . VAL C 3 182 ? 8.142 12.232 -28.481 1.00 95.74 182 C 1 ATOM 3244 C CA . VAL C 3 182 ? 7.069 12.804 -27.662 1.00 96.31 182 C 1 ATOM 3245 C C . VAL C 3 182 ? 6.957 12.049 -26.347 1.00 96.48 182 C 1 ATOM 3246 O O . VAL C 3 182 ? 7.254 10.846 -26.272 1.00 96.08 182 C 1 ATOM 3247 C CB . VAL C 3 182 ? 5.750 12.858 -28.459 1.00 95.54 182 C 1 ATOM 3248 C CG1 . VAL C 3 182 ? 5.229 11.474 -28.858 1.00 88.39 182 C 1 ATOM 3249 C CG2 . VAL C 3 182 ? 4.649 13.610 -27.706 1.00 86.46 182 C 1 ATOM 3250 N N . ARG C 3 183 ? 6.555 12.748 -25.273 1.00 96.52 183 C 1 ATOM 3251 C CA . ARG C 3 183 ? 6.214 12.174 -23.970 1.00 96.13 183 C 1 ATOM 3252 C C . ARG C 3 183 ? 4.911 12.760 -23.445 1.00 95.59 183 C 1 ATOM 3253 O O . ARG C 3 183 ? 4.489 13.824 -23.874 1.00 94.61 183 C 1 ATOM 3254 C CB . ARG C 3 183 ? 7.380 12.334 -22.992 1.00 95.05 183 C 1 ATOM 3255 C CG . ARG C 3 183 ? 7.712 13.795 -22.637 1.00 94.21 183 C 1 ATOM 3256 C CD . ARG C 3 183 ? 8.914 13.817 -21.691 1.00 93.76 183 C 1 ATOM 3257 N NE . ARG C 3 183 ? 9.275 15.172 -21.269 1.00 91.82 183 C 1 ATOM 3258 C CZ . ARG C 3 183 ? 10.275 15.510 -20.475 1.00 91.39 183 C 1 ATOM 3259 N NH1 . ARG C 3 183 ? 11.093 14.614 -19.978 1.00 86.79 183 C 1 ATOM 3260 N NH2 . ARG C 3 183 ? 10.478 16.748 -20.169 1.00 86.24 183 C 1 ATOM 3261 N N . VAL C 3 184 ? 4.275 12.065 -22.499 1.00 94.16 184 C 1 ATOM 3262 C CA . VAL C 3 184 ? 2.952 12.413 -21.965 1.00 94.00 184 C 1 ATOM 3263 C C . VAL C 3 184 ? 2.984 12.481 -20.446 1.00 93.95 184 C 1 ATOM 3264 O O . VAL C 3 184 ? 3.703 11.719 -19.790 1.00 93.66 184 C 1 ATOM 3265 C CB . VAL C 3 184 ? 1.880 11.434 -22.483 1.00 93.42 184 C 1 ATOM 3266 C CG1 . VAL C 3 184 ? 2.099 9.982 -22.051 1.00 88.36 184 C 1 ATOM 3267 C CG2 . VAL C 3 184 ? 0.469 11.857 -22.077 1.00 88.06 184 C 1 ATOM 3268 N N . LYS C 3 185 ? 2.185 13.386 -19.865 1.00 92.91 185 C 1 ATOM 3269 C CA . LYS C 3 185 ? 1.995 13.520 -18.421 1.00 92.63 185 C 1 ATOM 3270 C C . LYS C 3 185 ? 0.523 13.804 -18.107 1.00 91.96 185 C 1 ATOM 3271 O O . LYS C 3 185 ? -0.070 14.678 -18.737 1.00 90.71 185 C 1 ATOM 3272 C CB . LYS C 3 185 ? 2.926 14.625 -17.925 1.00 90.93 185 C 1 ATOM 3273 C CG . LYS C 3 185 ? 2.911 14.790 -16.407 1.00 87.85 185 C 1 ATOM 3274 C CD . LYS C 3 185 ? 3.747 16.019 -16.024 1.00 87.09 185 C 1 ATOM 3275 C CE . LYS C 3 185 ? 3.507 16.394 -14.564 1.00 79.22 185 C 1 ATOM 3276 N NZ . LYS C 3 185 ? 3.910 17.792 -14.328 1.00 74.44 185 C 1 ATOM 3277 N N . PRO C 3 186 ? -0.081 13.112 -17.126 1.00 91.25 186 C 1 ATOM 3278 C CA . PRO C 3 186 ? -1.359 13.527 -16.573 1.00 90.10 186 C 1 ATOM 3279 C C . PRO C 3 186 ? -1.218 14.859 -15.825 1.00 89.51 186 C 1 ATOM 3280 O O . PRO C 3 186 ? -0.198 15.107 -15.184 1.00 87.55 186 C 1 ATOM 3281 C CB . PRO C 3 186 ? -1.793 12.402 -15.621 1.00 88.50 186 C 1 ATOM 3282 C CG . PRO C 3 186 ? -0.899 11.223 -15.995 1.00 86.81 186 C 1 ATOM 3283 C CD . PRO C 3 186 ? 0.374 11.891 -16.495 1.00 89.25 186 C 1 ATOM 3284 N N . LEU C 3 187 ? -2.267 15.684 -15.834 1.00 86.77 187 C 1 ATOM 3285 C CA . LEU C 3 187 ? -2.324 16.909 -15.024 1.00 84.56 187 C 1 ATOM 3286 C C . LEU C 3 187 ? -2.641 16.639 -13.540 1.00 83.45 187 C 1 ATOM 3287 O O . LEU C 3 187 ? -2.598 17.552 -12.721 1.00 78.77 187 C 1 ATOM 3288 C CB . LEU C 3 187 ? -3.370 17.862 -15.628 1.00 81.53 187 C 1 ATOM 3289 C CG . LEU C 3 187 ? -3.019 18.391 -17.024 1.00 75.52 187 C 1 ATOM 3290 C CD1 . LEU C 3 187 ? -4.179 19.206 -17.587 1.00 69.97 187 C 1 ATOM 3291 C CD2 . LEU C 3 187 ? -1.791 19.305 -16.997 1.00 68.61 187 C 1 ATOM 3292 N N . GLN C 3 188 ? -2.988 15.407 -13.188 1.00 81.03 188 C 1 ATOM 3293 C CA . GLN C 3 188 ? -3.372 14.984 -11.840 1.00 79.71 188 C 1 ATOM 3294 C C . GLN C 3 188 ? -2.213 14.292 -11.122 1.00 80.48 188 C 1 ATOM 3295 O O . GLN C 3 188 ? -1.467 13.539 -11.744 1.00 74.33 188 C 1 ATOM 3296 C CB . GLN C 3 188 ? -4.602 14.063 -11.955 1.00 73.31 188 C 1 ATOM 3297 C CG . GLN C 3 188 ? -5.166 13.658 -10.593 1.00 65.48 188 C 1 ATOM 3298 C CD . GLN C 3 188 ? -6.415 12.772 -10.679 1.00 61.29 188 C 1 ATOM 3299 O OE1 . GLN C 3 188 ? -6.874 12.371 -11.736 1.00 55.47 188 C 1 ATOM 3300 N NE2 . GLN C 3 188 ? -7.002 12.424 -9.556 1.00 53.64 188 C 1 ATOM 3301 N N . GLY C 3 189 ? -2.138 14.483 -9.799 1.00 78.43 189 C 1 ATOM 3302 C CA . GLY C 3 189 ? -1.207 13.794 -8.916 1.00 78.02 189 C 1 ATOM 3303 C C . GLY C 3 189 ? 0.011 14.634 -8.538 1.00 80.94 189 C 1 ATOM 3304 O O . GLY C 3 189 ? 0.697 15.175 -9.413 1.00 77.43 189 C 1 ATOM 3305 N N . GLU C 3 190 ? 0.295 14.736 -7.244 1.00 79.79 190 C 1 ATOM 3306 C CA . GLU C 3 190 ? 1.371 15.586 -6.709 1.00 81.44 190 C 1 ATOM 3307 C C . GLU C 3 190 ? 2.763 15.126 -7.176 1.00 82.48 190 C 1 ATOM 3308 O O . GLU C 3 190 ? 3.597 15.943 -7.576 1.00 77.91 190 C 1 ATOM 3309 C CB . GLU C 3 190 ? 1.265 15.579 -5.170 1.00 77.36 190 C 1 ATOM 3310 C CG . GLU C 3 190 ? 2.238 16.564 -4.507 1.00 68.65 190 C 1 ATOM 3311 C CD . GLU C 3 190 ? 2.123 16.601 -2.968 1.00 63.62 190 C 1 ATOM 3312 O OE1 . GLU C 3 190 ? 2.969 17.299 -2.353 1.00 55.85 190 C 1 ATOM 3313 O OE2 . GLU C 3 190 ? 1.229 15.945 -2.403 1.00 61.15 190 C 1 ATOM 3314 N N . PHE C 3 191 ? 2.987 13.817 -7.200 1.00 84.30 191 C 1 ATOM 3315 C CA . PHE C 3 191 ? 4.259 13.208 -7.597 1.00 84.36 191 C 1 ATOM 3316 C C . PHE C 3 191 ? 4.236 12.634 -9.023 1.00 86.26 191 C 1 ATOM 3317 O O . PHE C 3 191 ? 5.059 11.795 -9.397 1.00 82.89 191 C 1 ATOM 3318 C CB . PHE C 3 191 ? 4.678 12.170 -6.550 1.00 80.94 191 C 1 ATOM 3319 C CG . PHE C 3 191 ? 4.663 12.716 -5.133 1.00 77.91 191 C 1 ATOM 3320 C CD1 . PHE C 3 191 ? 5.627 13.655 -4.728 1.00 71.34 191 C 1 ATOM 3321 C CD2 . PHE C 3 191 ? 3.641 12.335 -4.248 1.00 72.68 191 C 1 ATOM 3322 C CE1 . PHE C 3 191 ? 5.574 14.215 -3.441 1.00 67.76 191 C 1 ATOM 3323 C CE2 . PHE C 3 191 ? 3.583 12.894 -2.961 1.00 66.83 191 C 1 ATOM 3324 C CZ . PHE C 3 191 ? 4.536 13.839 -2.552 1.00 68.60 191 C 1 ATOM 3325 N N . THR C 3 192 ? 3.273 13.065 -9.822 1.00 84.85 192 C 1 ATOM 3326 C CA . THR C 3 192 ? 3.172 12.643 -11.223 1.00 86.14 192 C 1 ATOM 3327 C C . THR C 3 192 ? 4.343 13.197 -12.030 1.00 87.42 192 C 1 ATOM 3328 O O . THR C 3 192 ? 4.672 14.379 -11.962 1.00 85.92 192 C 1 ATOM 3329 C CB . THR C 3 192 ? 1.826 13.053 -11.814 1.00 83.43 192 C 1 ATOM 3330 O OG1 . THR C 3 192 ? 0.833 12.227 -11.227 1.00 76.44 192 C 1 ATOM 3331 C CG2 . THR C 3 192 ? 1.740 12.828 -13.312 1.00 75.00 192 C 1 ATOM 3332 N N . THR C 3 193 ? 4.944 12.332 -12.836 1.00 90.05 193 C 1 ATOM 3333 C CA . THR C 3 193 ? 6.074 12.687 -13.692 1.00 91.39 193 C 1 ATOM 3334 C C . THR C 3 193 ? 5.770 12.413 -15.162 1.00 92.13 193 C 1 ATOM 3335 O O . THR C 3 193 ? 4.793 11.736 -15.503 1.00 91.17 193 C 1 ATOM 3336 C CB . THR C 3 193 ? 7.349 11.979 -13.211 1.00 88.89 193 C 1 ATOM 3337 O OG1 . THR C 3 193 ? 8.478 12.519 -13.872 1.00 75.64 193 C 1 ATOM 3338 C CG2 . THR C 3 193 ? 7.340 10.475 -13.446 1.00 76.94 193 C 1 ATOM 3339 N N . TRP C 3 194 ? 6.617 12.945 -16.036 1.00 92.97 194 C 1 ATOM 3340 C CA . TRP C 3 194 ? 6.577 12.639 -17.459 1.00 93.94 194 C 1 ATOM 3341 C C . TRP C 3 194 ? 6.782 11.143 -17.723 1.00 93.86 194 C 1 ATOM 3342 O O . TRP C 3 194 ? 7.568 10.483 -17.033 1.00 91.52 194 C 1 ATOM 3343 C CB . TRP C 3 194 ? 7.641 13.470 -18.187 1.00 93.67 194 C 1 ATOM 3344 C CG . TRP C 3 194 ? 7.295 14.930 -18.269 1.00 93.50 194 C 1 ATOM 3345 C CD1 . TRP C 3 194 ? 7.834 15.927 -17.529 1.00 91.60 194 C 1 ATOM 3346 C CD2 . TRP C 3 194 ? 6.294 15.550 -19.119 1.00 93.55 194 C 1 ATOM 3347 N NE1 . TRP C 3 194 ? 7.225 17.130 -17.855 1.00 91.75 194 C 1 ATOM 3348 C CE2 . TRP C 3 194 ? 6.262 16.931 -18.817 1.00 92.67 194 C 1 ATOM 3349 C CE3 . TRP C 3 194 ? 5.399 15.059 -20.097 1.00 92.64 194 C 1 ATOM 3350 C CZ2 . TRP C 3 194 ? 5.349 17.803 -19.457 1.00 92.22 194 C 1 ATOM 3351 C CZ3 . TRP C 3 194 ? 4.496 15.933 -20.736 1.00 92.37 194 C 1 ATOM 3352 C CH2 . TRP C 3 194 ? 4.474 17.286 -20.408 1.00 91.99 194 C 1 ATOM 3353 N N . SER C 3 195 ? 6.116 10.627 -18.743 1.00 93.38 195 C 1 ATOM 3354 C CA . SER C 3 195 ? 6.455 9.324 -19.296 1.00 93.95 195 C 1 ATOM 3355 C C . SER C 3 195 ? 7.907 9.324 -19.791 1.00 94.30 195 C 1 ATOM 3356 O O . SER C 3 195 ? 8.490 10.390 -20.012 1.00 94.16 195 C 1 ATOM 3357 C CB . SER C 3 195 ? 5.495 8.957 -20.443 1.00 94.08 195 C 1 ATOM 3358 O OG . SER C 3 195 ? 5.779 9.667 -21.626 1.00 92.45 195 C 1 ATOM 3359 N N . PRO C 3 196 ? 8.512 8.157 -20.020 1.00 94.08 196 C 1 ATOM 3360 C CA . PRO C 3 196 ? 9.666 8.080 -20.906 1.00 93.92 196 C 1 ATOM 3361 C C . PRO C 3 196 ? 9.343 8.726 -22.262 1.00 94.96 196 C 1 ATOM 3362 O O . PRO C 3 196 ? 8.178 8.809 -22.668 1.00 94.67 196 C 1 ATOM 3363 C CB . PRO C 3 196 ? 9.982 6.586 -21.042 1.00 92.60 196 C 1 ATOM 3364 C CG . PRO C 3 196 ? 9.332 5.970 -19.800 1.00 90.77 196 C 1 ATOM 3365 C CD . PRO C 3 196 ? 8.105 6.842 -19.586 1.00 92.71 196 C 1 ATOM 3366 N N . TRP C 3 197 ? 10.384 9.179 -22.954 1.00 95.45 197 C 1 ATOM 3367 C CA . TRP C 3 197 ? 10.260 9.577 -24.352 1.00 96.22 197 C 1 ATOM 3368 C C . TRP C 3 197 ? 9.844 8.374 -25.206 1.00 96.10 197 C 1 ATOM 3369 O O . TRP C 3 197 ? 10.237 7.242 -24.919 1.00 94.41 197 C 1 ATOM 3370 C CB . TRP C 3 197 ? 11.591 10.164 -24.837 1.00 95.98 197 C 1 ATOM 3371 C CG . TRP C 3 197 ? 11.910 11.499 -24.239 1.00 96.04 197 C 1 ATOM 3372 C CD1 . TRP C 3 197 ? 12.846 11.738 -23.291 1.00 94.60 197 C 1 ATOM 3373 C CD2 . TRP C 3 197 ? 11.304 12.787 -24.546 1.00 95.98 197 C 1 ATOM 3374 N NE1 . TRP C 3 197 ? 12.866 13.096 -22.990 1.00 94.42 197 C 1 ATOM 3375 C CE2 . TRP C 3 197 ? 11.930 13.771 -23.742 1.00 95.22 197 C 1 ATOM 3376 C CE3 . TRP C 3 197 ? 10.285 13.207 -25.438 1.00 95.37 197 C 1 ATOM 3377 C CZ2 . TRP C 3 197 ? 11.565 15.134 -23.820 1.00 95.02 197 C 1 ATOM 3378 C CZ3 . TRP C 3 197 ? 9.923 14.568 -25.503 1.00 95.21 197 C 1 ATOM 3379 C CH2 . TRP C 3 197 ? 10.559 15.515 -24.707 1.00 94.89 197 C 1 ATOM 3380 N N . SER C 3 198 ? 9.070 8.621 -26.250 1.00 95.27 198 C 1 ATOM 3381 C CA . SER C 3 198 ? 8.774 7.615 -27.259 1.00 95.45 198 C 1 ATOM 3382 C C . SER C 3 198 ? 10.053 7.111 -27.928 1.00 95.27 198 C 1 ATOM 3383 O O . SER C 3 198 ? 11.106 7.753 -27.856 1.00 94.53 198 C 1 ATOM 3384 C CB . SER C 3 198 ? 7.829 8.198 -28.319 1.00 95.52 198 C 1 ATOM 3385 O OG . SER C 3 198 ? 8.479 9.207 -29.061 1.00 93.72 198 C 1 ATOM 3386 N N . GLN C 3 199 ? 9.960 5.989 -28.636 1.00 95.23 199 C 1 ATOM 3387 C CA . GLN C 3 199 ? 10.986 5.674 -29.622 1.00 94.44 199 C 1 ATOM 3388 C C . GLN C 3 199 ? 11.119 6.833 -30.624 1.00 94.64 199 C 1 ATOM 3389 O O . GLN C 3 199 ? 10.105 7.456 -30.959 1.00 94.21 199 C 1 ATOM 3390 C CB . GLN C 3 199 ? 10.647 4.357 -30.338 1.00 93.84 199 C 1 ATOM 3391 C CG . GLN C 3 199 ? 10.760 3.137 -29.411 1.00 84.77 199 C 1 ATOM 3392 C CD . GLN C 3 199 ? 12.173 2.940 -28.842 1.00 78.10 199 C 1 ATOM 3393 O OE1 . GLN C 3 199 ? 13.177 3.247 -29.463 1.00 71.04 199 C 1 ATOM 3394 N NE2 . GLN C 3 199 ? 12.299 2.439 -27.640 1.00 66.40 199 C 1 ATOM 3395 N N . PRO C 3 200 ? 12.338 7.142 -31.090 1.00 94.74 200 C 1 ATOM 3396 C CA . PRO C 3 200 ? 12.534 8.162 -32.108 1.00 94.57 200 C 1 ATOM 3397 C C . PRO C 3 200 ? 11.850 7.766 -33.420 1.00 94.85 200 C 1 ATOM 3398 O O . PRO C 3 200 ? 12.050 6.655 -33.915 1.00 93.30 200 C 1 ATOM 3399 C CB . PRO C 3 200 ? 14.051 8.323 -32.277 1.00 92.95 200 C 1 ATOM 3400 C CG . PRO C 3 200 ? 14.650 7.646 -31.045 1.00 88.88 200 C 1 ATOM 3401 C CD . PRO C 3 200 ? 13.617 6.589 -30.676 1.00 91.94 200 C 1 ATOM 3402 N N . LEU C 3 201 ? 11.083 8.691 -33.994 1.00 94.16 201 C 1 ATOM 3403 C CA . LEU C 3 201 ? 10.576 8.565 -35.352 1.00 94.32 201 C 1 ATOM 3404 C C . LEU C 3 201 ? 11.506 9.340 -36.296 1.00 94.36 201 C 1 ATOM 3405 O O . LEU C 3 201 ? 11.520 10.569 -36.266 1.00 93.05 201 C 1 ATOM 3406 C CB . LEU C 3 201 ? 9.130 9.082 -35.416 1.00 94.46 201 C 1 ATOM 3407 C CG . LEU C 3 201 ? 8.530 9.050 -36.837 1.00 94.13 201 C 1 ATOM 3408 C CD1 . LEU C 3 201 ? 8.294 7.625 -37.325 1.00 86.26 201 C 1 ATOM 3409 C CD2 . LEU C 3 201 ? 7.198 9.793 -36.850 1.00 86.61 201 C 1 ATOM 3410 N N . ALA C 3 202 ? 12.232 8.622 -37.145 1.00 94.32 202 C 1 ATOM 3411 C CA . ALA C 3 202 ? 13.031 9.240 -38.194 1.00 93.79 202 C 1 ATOM 3412 C C . ALA C 3 202 ? 12.146 9.634 -39.391 1.00 93.98 202 C 1 ATOM 3413 O O . ALA C 3 202 ? 11.321 8.846 -39.855 1.00 92.46 202 C 1 ATOM 3414 C CB . ALA C 3 202 ? 14.162 8.294 -38.595 1.00 92.31 202 C 1 ATOM 3415 N N . PHE C 3 203 ? 12.363 10.850 -39.916 1.00 93.60 203 C 1 ATOM 3416 C CA . PHE C 3 203 ? 11.733 11.302 -41.160 1.00 93.70 203 C 1 ATOM 3417 C C . PHE C 3 203 ? 12.656 12.232 -41.937 1.00 94.19 203 C 1 ATOM 3418 O O . PHE C 3 203 ? 13.584 12.819 -41.381 1.00 93.14 203 C 1 ATOM 3419 C CB . PHE C 3 203 ? 10.372 11.961 -40.868 1.00 92.75 203 C 1 ATOM 3420 C CG . PHE C 3 203 ? 10.455 13.312 -40.196 1.00 93.19 203 C 1 ATOM 3421 C CD1 . PHE C 3 203 ? 10.546 13.408 -38.790 1.00 89.18 203 C 1 ATOM 3422 C CD2 . PHE C 3 203 ? 10.438 14.496 -40.960 1.00 89.86 203 C 1 ATOM 3423 C CE1 . PHE C 3 203 ? 10.625 14.660 -38.165 1.00 88.38 203 C 1 ATOM 3424 C CE2 . PHE C 3 203 ? 10.519 15.751 -40.336 1.00 87.72 203 C 1 ATOM 3425 C CZ . PHE C 3 203 ? 10.609 15.837 -38.933 1.00 90.97 203 C 1 ATOM 3426 N N . ARG C 3 204 ? 12.408 12.390 -43.228 1.00 92.84 204 C 1 ATOM 3427 C CA . ARG C 3 204 ? 13.156 13.292 -44.105 1.00 93.51 204 C 1 ATOM 3428 C C . ARG C 3 204 ? 12.199 14.241 -44.822 1.00 93.45 204 C 1 ATOM 3429 O O . ARG C 3 204 ? 11.211 13.787 -45.398 1.00 90.84 204 C 1 ATOM 3430 C CB . ARG C 3 204 ? 14.018 12.468 -45.073 1.00 92.37 204 C 1 ATOM 3431 C CG . ARG C 3 204 ? 15.033 13.334 -45.833 1.00 89.87 204 C 1 ATOM 3432 C CD . ARG C 3 204 ? 15.876 12.466 -46.776 1.00 87.21 204 C 1 ATOM 3433 N NE . ARG C 3 204 ? 16.924 13.255 -47.451 1.00 82.58 204 C 1 ATOM 3434 C CZ . ARG C 3 204 ? 18.220 13.335 -47.162 1.00 78.59 204 C 1 ATOM 3435 N NH1 . ARG C 3 204 ? 18.755 12.659 -46.191 1.00 70.48 204 C 1 ATOM 3436 N NH2 . ARG C 3 204 ? 18.981 14.092 -47.879 1.00 74.53 204 C 1 ATOM 3437 N N . THR C 3 205 ? 12.489 15.531 -44.765 1.00 92.87 205 C 1 ATOM 3438 C CA . THR C 3 205 ? 11.749 16.533 -45.532 1.00 92.97 205 C 1 ATOM 3439 C C . THR C 3 205 ? 11.979 16.355 -47.035 1.00 92.37 205 C 1 ATOM 3440 O O . THR C 3 205 ? 13.007 15.834 -47.473 1.00 90.16 205 C 1 ATOM 3441 C CB . THR C 3 205 ? 12.112 17.960 -45.105 1.00 91.88 205 C 1 ATOM 3442 O OG1 . THR C 3 205 ? 13.501 18.126 -45.100 1.00 85.33 205 C 1 ATOM 3443 C CG2 . THR C 3 205 ? 11.592 18.274 -43.707 1.00 85.33 205 C 1 ATOM 3444 N N . LYS C 3 206 ? 11.020 16.780 -47.842 1.00 92.41 206 C 1 ATOM 3445 C CA . LYS C 3 206 ? 11.162 16.732 -49.300 1.00 92.50 206 C 1 ATOM 3446 C C . LYS C 3 206 ? 12.223 17.725 -49.765 1.00 92.84 206 C 1 ATOM 3447 O O . LYS C 3 206 ? 12.358 18.799 -49.164 1.00 90.87 206 C 1 ATOM 3448 C CB . LYS C 3 206 ? 9.812 16.993 -49.982 1.00 90.80 206 C 1 ATOM 3449 C CG . LYS C 3 206 ? 8.817 15.852 -49.745 1.00 87.16 206 C 1 ATOM 3450 C CD . LYS C 3 206 ? 7.489 16.142 -50.449 1.00 80.41 206 C 1 ATOM 3451 C CE . LYS C 3 206 ? 6.487 15.017 -50.172 1.00 72.67 206 C 1 ATOM 3452 N NZ . LYS C 3 206 ? 5.123 15.360 -50.640 1.00 64.32 206 C 1 ATOM 3453 N N . PRO C 3 207 ? 12.960 17.428 -50.848 1.00 91.91 207 C 1 ATOM 3454 C CA . PRO C 3 207 ? 13.871 18.396 -51.442 1.00 91.32 207 C 1 ATOM 3455 C C . PRO C 3 207 ? 13.094 19.609 -51.967 1.00 91.22 207 C 1 ATOM 3456 O O . PRO C 3 207 ? 11.941 19.486 -52.404 1.00 88.09 207 C 1 ATOM 3457 C CB . PRO C 3 207 ? 14.605 17.636 -52.550 1.00 88.94 207 C 1 ATOM 3458 C CG . PRO C 3 207 ? 13.636 16.520 -52.932 1.00 86.29 207 C 1 ATOM 3459 C CD . PRO C 3 207 ? 12.928 16.201 -51.618 1.00 89.42 207 C 1 ATOM 3460 N N . ALA C 3 208 ? 13.723 20.785 -51.896 1.00 88.57 208 C 1 ATOM 3461 C CA . ALA C 3 208 ? 13.182 21.953 -52.570 1.00 86.21 208 C 1 ATOM 3462 C C . ALA C 3 208 ? 13.098 21.651 -54.074 1.00 84.85 208 C 1 ATOM 3463 O O . ALA C 3 208 ? 14.019 21.075 -54.651 1.00 78.28 208 C 1 ATOM 3464 C CB . ALA C 3 208 ? 14.045 23.173 -52.265 1.00 81.79 208 C 1 ATOM 3465 N N . ALA C 3 209 ? 11.996 22.040 -54.707 1.00 81.99 209 C 1 ATOM 3466 C CA . ALA C 3 209 ? 11.929 21.974 -56.152 1.00 80.50 209 C 1 ATOM 3467 C C . ALA C 3 209 ? 13.062 22.854 -56.701 1.00 78.77 209 C 1 ATOM 3468 O O . ALA C 3 209 ? 13.141 24.031 -56.358 1.00 71.51 209 C 1 ATOM 3469 C CB . ALA C 3 209 ? 10.546 22.426 -56.622 1.00 74.68 209 C 1 ATOM 3470 N N . LEU C 3 210 ? 13.923 22.284 -57.549 1.00 71.13 210 C 1 ATOM 3471 C CA . LEU C 3 210 ? 14.813 23.076 -58.394 1.00 71.00 210 C 1 ATOM 3472 C C . LEU C 3 210 ? 13.923 24.070 -59.140 1.00 70.03 210 C 1 ATOM 3473 O O . LEU C 3 210 ? 12.974 23.656 -59.816 1.00 61.24 210 C 1 ATOM 3474 C CB . LEU C 3 210 ? 15.580 22.160 -59.368 1.00 65.20 210 C 1 ATOM 3475 C CG . LEU C 3 210 ? 16.798 21.475 -58.720 1.00 58.79 210 C 1 ATOM 3476 C CD1 . LEU C 3 210 ? 17.200 20.242 -59.534 1.00 54.87 210 C 1 ATOM 3477 C CD2 . LEU C 3 210 ? 17.996 22.423 -58.659 1.00 55.12 210 C 1 ATOM 3478 N N . GLY C 3 211 ? 14.187 25.355 -58.910 1.00 59.18 211 C 1 ATOM 3479 C CA . GLY C 3 211 ? 13.577 26.382 -59.735 1.00 59.43 211 C 1 ATOM 3480 C C . GLY C 3 211 ? 13.840 26.016 -61.190 1.00 57.76 211 C 1 ATOM 3481 O O . GLY C 3 211 ? 14.937 25.571 -61.530 1.00 53.76 211 C 1 ATOM 3482 N N . LYS C 3 212 ? 12.839 26.164 -62.049 1.00 44.96 212 C 1 ATOM 3483 C CA . LYS C 3 212 ? 13.110 26.174 -63.485 1.00 47.92 212 C 1 ATOM 3484 C C . LYS C 3 212 ? 14.073 27.338 -63.699 1.00 47.56 212 C 1 ATOM 3485 O O . LYS C 3 212 ? 13.657 28.479 -63.504 1.00 44.26 212 C 1 ATOM 3486 C CB . LYS C 3 212 ? 11.841 26.384 -64.303 1.00 45.40 212 C 1 ATOM 3487 C CG . LYS C 3 212 ? 10.994 25.114 -64.437 1.00 41.17 212 C 1 ATOM 3488 C CD . LYS C 3 212 ? 9.797 25.398 -65.352 1.00 39.03 212 C 1 ATOM 3489 C CE . LYS C 3 212 ? 8.995 24.130 -65.596 1.00 34.17 212 C 1 ATOM 3490 N NZ . LYS C 3 212 ? 7.853 24.389 -66.503 1.00 32.28 212 C 1 ATOM 3491 N N . ASP C 3 213 ? 15.315 27.039 -64.045 1.00 35.20 213 C 1 ATOM 3492 C CA . ASP C 3 213 ? 16.129 28.016 -64.749 1.00 37.51 213 C 1 ATOM 3493 C C . ASP C 3 213 ? 15.340 28.430 -65.992 1.00 36.05 213 C 1 ATOM 3494 O O . ASP C 3 213 ? 15.169 27.641 -66.926 1.00 33.82 213 C 1 ATOM 3495 C CB . ASP C 3 213 ? 17.506 27.437 -65.120 1.00 35.99 213 C 1 ATOM 3496 C CG . ASP C 3 213 ? 18.487 27.339 -63.944 1.00 32.77 213 C 1 ATOM 3497 O OD1 . ASP C 3 213 ? 18.375 28.154 -63.009 1.00 32.25 213 C 1 ATOM 3498 O OD2 . ASP C 3 213 ? 19.357 26.443 -64.002 1.00 31.20 213 C 1 ATOM 3499 N N . THR C 3 214 ? 14.732 29.595 -65.916 1.00 31.37 214 C 1 ATOM 3500 C CA . THR C 3 214 ? 14.310 30.353 -67.099 1.00 30.94 214 C 1 ATOM 3501 C C . THR C 3 214 ? 15.499 31.126 -67.631 1.00 29.21 214 C 1 ATOM 3502 O O . THR C 3 214 ? 16.204 31.726 -66.795 1.00 26.53 214 C 1 ATOM 3503 C CB . THR C 3 214 ? 13.205 31.361 -66.800 1.00 28.40 214 C 1 ATOM 3504 O OG1 . THR C 3 214 ? 13.441 31.946 -65.546 1.00 26.71 214 C 1 ATOM 3505 C CG2 . THR C 3 214 ? 11.831 30.712 -66.814 1.00 28.92 214 C 1 ATOM 3506 O OXT . THR C 3 214 ? 15.623 31.100 -68.892 1.00 27.40 214 C 1 #