From: Ben Soares Date: Mon, 27 Feb 2023 23:54:45 +0000 (+0000) Subject: JAL-629 add AF examples for FER1_SPIOL. Link and display PAE matrix annotation X-Git-Tag: Release_2_11_4_0~465 X-Git-Url: http://source.jalview.org/gitweb/?a=commitdiff_plain;h=2ee5edd84da7c509efc15d241527fa62093b41c7;p=jalview.git JAL-629 add AF examples for FER1_SPIOL. Link and display PAE matrix annotation --- diff --git a/examples/AlphaFold/AF-P00221-F1-model_v4.cif b/examples/AlphaFold/AF-P00221-F1-model_v4.cif new file mode 100644 index 0000000..94f5907 --- /dev/null +++ b/examples/AlphaFold/AF-P00221-F1-model_v4.cif @@ -0,0 +1,1985 @@ +data_AF-P00221-F1 +# +_entry.id AF-P00221-F1 +# +loop_ +_atom_type.symbol +C +N +O +S +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +"Jumper, John" 1 +"Evans, Richard" 2 +"Pritzel, Alexander" 3 +"Green, Tim" 4 +"Figurnov, Michael" 5 +"Ronneberger, Olaf" 6 +"Tunyasuvunakool, Kathryn" 7 +"Bates, Russ" 8 +"Zidek, Augustin" 9 +"Potapenko, Anna" 10 +"Bridgland, Alex" 11 +"Meyer, Clemens" 12 +"Kohl, Simon A. A." 13 +"Ballard, Andrew J." 14 +"Cowie, Andrew" 15 +"Romera-Paredes, Bernardino" 16 +"Nikolov, Stanislav" 17 +"Jain, Rishub" 18 +"Adler, Jonas" 19 +"Back, Trevor" 20 +"Petersen, Stig" 21 +"Reiman, David" 22 +"Clancy, Ellen" 23 +"Zielinski, Michal" 24 +"Steinegger, Martin" 25 +"Pacholska, Michalina" 26 +"Berghammer, Tamas" 27 +"Silver, David" 28 +"Vinyals, Oriol" 29 +"Senior, Andrew W." 30 +"Kavukcuoglu, Koray" 31 +"Kohli, Pushmeet" 32 +"Hassabis, Demis" 33 +# +_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 1.3.9 +# +loop_ +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.type +"C3 H7 N O2" 89.093 ALA y ALANINE ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE ? "L-PEPTIDE LINKING" +"C4 H8 N2 O3" 132.118 ASN y ASPARAGINE ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" ? "L-PEPTIDE LINKING" +"C3 H7 N O2 S" 121.158 CYS y CYSTEINE ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE ? "PEPTIDE LINKING" +"C6 H10 N3 O2" 156.162 HIS y HISTIDINE ? "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 ILE y ISOLEUCINE ? "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE ? "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE ? "L-PEPTIDE LINKING" +"C5 H11 N O2 S" 149.211 MET y METHIONINE ? "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE ? "L-PEPTIDE LINKING" +"C3 H7 N O3" 105.093 SER y SERINE ? "L-PEPTIDE LINKING" +"C4 H9 N O3" 119.119 THR y THREONINE ? "L-PEPTIDE LINKING" +"C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN ? "L-PEPTIDE LINKING" +"C9 H11 N O3" 181.189 TYR y TYROSINE ? "L-PEPTIDE LINKING" +"C5 H11 N O2" 117.146 VAL y VALINE ? "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 596 +_citation.page_first 583 +_citation.page_last 589 +_citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 +_citation.pdbx_database_id_PubMed 34265844 +_citation.title "Highly accurate protein structure prediction with AlphaFold" +_citation.year 2021 +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +1 "Jumper, John" 1 +1 "Evans, Richard" 2 +1 "Pritzel, Alexander" 3 +1 "Green, Tim" 4 +1 "Figurnov, Michael" 5 +1 "Ronneberger, Olaf" 6 +1 "Tunyasuvunakool, Kathryn" 7 +1 "Bates, Russ" 8 +1 "Zidek, Augustin" 9 +1 "Potapenko, Anna" 10 +1 "Bridgland, Alex" 11 +1 "Meyer, Clemens" 12 +1 "Kohl, Simon A. A." 13 +1 "Ballard, Andrew J." 14 +1 "Cowie, Andrew" 15 +1 "Romera-Paredes, Bernardino" 16 +1 "Nikolov, Stanislav" 17 +1 "Jain, Rishub" 18 +1 "Adler, Jonas" 19 +1 "Back, Trevor" 20 +1 "Petersen, Stig" 21 +1 "Reiman, David" 22 +1 "Clancy, Ellen" 23 +1 "Zielinski, Michal" 24 +1 "Steinegger, Martin" 25 +1 "Pacholska, Michalina" 26 +1 "Berghammer, Tamas" 27 +1 "Silver, David" 28 +1 "Vinyals, Oriol" 29 +1 "Senior, Andrew W." 30 +1 "Kavukcuoglu, Koray" 31 +1 "Kohli, Pushmeet" 32 +1 "Hassabis, Demis" 33 +# +_database_2.database_code AF-P00221-F1 +_database_2.database_id AlphaFoldDB +# +_entity.details ? +_entity.formula_weight ? +_entity.id 1 +_entity.pdbx_description "Ferredoxin-1, chloroplastic" +_entity.pdbx_ec ? +_entity.pdbx_fragment ? +_entity.pdbx_mutation ? +_entity.pdbx_number_of_molecules 1 +_entity.src_method man +_entity.type polymer +# +_entity_poly.entity_id 1 +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code +;MAATTTTMMGMATTFVPKPQAPPMMAALPSNTGRSLFGLKTGSRGGRMTMAAYKVTLVTPTGNVEFQCPDDVYILDAAEE +EGIDLPYSCRAGSCSSCAGKLKTGSLNQDDQSFLDDDQIDEGWVLTCAAYPVSDVTIETHKEEELTA +; +_entity_poly.pdbx_seq_one_letter_code_can +;MAATTTTMMGMATTFVPKPQAPPMMAALPSNTGRSLFGLKTGSRGGRMTMAAYKVTLVTPTGNVEFQCPDDVYILDAAEE +EGIDLPYSCRAGSCSSCAGKLKTGSLNQDDQSFLDDDQIDEGWVLTCAAYPVSDVTIETHKEEELTA +; +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n MET 1 +1 n ALA 2 +1 n ALA 3 +1 n THR 4 +1 n THR 5 +1 n THR 6 +1 n THR 7 +1 n MET 8 +1 n MET 9 +1 n GLY 10 +1 n MET 11 +1 n ALA 12 +1 n THR 13 +1 n THR 14 +1 n PHE 15 +1 n VAL 16 +1 n PRO 17 +1 n LYS 18 +1 n PRO 19 +1 n GLN 20 +1 n ALA 21 +1 n PRO 22 +1 n PRO 23 +1 n MET 24 +1 n MET 25 +1 n ALA 26 +1 n ALA 27 +1 n LEU 28 +1 n PRO 29 +1 n SER 30 +1 n ASN 31 +1 n THR 32 +1 n GLY 33 +1 n ARG 34 +1 n SER 35 +1 n LEU 36 +1 n PHE 37 +1 n GLY 38 +1 n LEU 39 +1 n LYS 40 +1 n THR 41 +1 n GLY 42 +1 n SER 43 +1 n ARG 44 +1 n GLY 45 +1 n GLY 46 +1 n ARG 47 +1 n MET 48 +1 n THR 49 +1 n MET 50 +1 n ALA 51 +1 n ALA 52 +1 n TYR 53 +1 n LYS 54 +1 n VAL 55 +1 n THR 56 +1 n LEU 57 +1 n VAL 58 +1 n THR 59 +1 n PRO 60 +1 n THR 61 +1 n GLY 62 +1 n ASN 63 +1 n VAL 64 +1 n GLU 65 +1 n PHE 66 +1 n GLN 67 +1 n CYS 68 +1 n PRO 69 +1 n ASP 70 +1 n ASP 71 +1 n VAL 72 +1 n TYR 73 +1 n ILE 74 +1 n LEU 75 +1 n ASP 76 +1 n ALA 77 +1 n ALA 78 +1 n GLU 79 +1 n GLU 80 +1 n GLU 81 +1 n GLY 82 +1 n ILE 83 +1 n ASP 84 +1 n LEU 85 +1 n PRO 86 +1 n TYR 87 +1 n SER 88 +1 n CYS 89 +1 n ARG 90 +1 n ALA 91 +1 n GLY 92 +1 n SER 93 +1 n CYS 94 +1 n SER 95 +1 n SER 96 +1 n CYS 97 +1 n ALA 98 +1 n GLY 99 +1 n LYS 100 +1 n LEU 101 +1 n LYS 102 +1 n THR 103 +1 n GLY 104 +1 n SER 105 +1 n LEU 106 +1 n ASN 107 +1 n GLN 108 +1 n ASP 109 +1 n ASP 110 +1 n GLN 111 +1 n SER 112 +1 n PHE 113 +1 n LEU 114 +1 n ASP 115 +1 n ASP 116 +1 n ASP 117 +1 n GLN 118 +1 n ILE 119 +1 n ASP 120 +1 n GLU 121 +1 n GLY 122 +1 n TRP 123 +1 n VAL 124 +1 n LEU 125 +1 n THR 126 +1 n CYS 127 +1 n ALA 128 +1 n ALA 129 +1 n TYR 130 +1 n PRO 131 +1 n VAL 132 +1 n SER 133 +1 n ASP 134 +1 n VAL 135 +1 n THR 136 +1 n ILE 137 +1 n GLU 138 +1 n THR 139 +1 n HIS 140 +1 n LYS 141 +1 n GLU 142 +1 n GLU 143 +1 n GLU 144 +1 n LEU 145 +1 n THR 146 +1 n ALA 147 +# +loop_ +_ma_data.content_type +_ma_data.id +_ma_data.name +"model coordinates" 1 Model +"input structure" 2 "Input structure" +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold Monomer v2.0 model" +_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 84.43 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +loop_ +_ma_qa_metric_local.label_asym_id +_ma_qa_metric_local.label_comp_id +_ma_qa_metric_local.label_seq_id +_ma_qa_metric_local.metric_id +_ma_qa_metric_local.metric_value +_ma_qa_metric_local.model_id +_ma_qa_metric_local.ordinal_id +A MET 1 2 56.42 1 1 +A ALA 2 2 52.97 1 2 +A ALA 3 2 60.41 1 3 +A THR 4 2 75.74 1 4 +A THR 5 2 73.15 1 5 +A THR 6 2 67.00 1 6 +A THR 7 2 68.61 1 7 +A MET 8 2 67.08 1 8 +A MET 9 2 67.60 1 9 +A GLY 10 2 61.80 1 10 +A MET 11 2 68.90 1 11 +A ALA 12 2 61.95 1 12 +A THR 13 2 68.99 1 13 +A THR 14 2 70.93 1 14 +A PHE 15 2 65.35 1 15 +A VAL 16 2 69.16 1 16 +A PRO 17 2 68.00 1 17 +A LYS 18 2 66.26 1 18 +A PRO 19 2 67.49 1 19 +A GLN 20 2 60.48 1 20 +A ALA 21 2 63.79 1 21 +A PRO 22 2 69.72 1 22 +A PRO 23 2 54.38 1 23 +A MET 24 2 54.35 1 24 +A MET 25 2 57.94 1 25 +A ALA 26 2 54.08 1 26 +A ALA 27 2 53.27 1 27 +A LEU 28 2 53.66 1 28 +A PRO 29 2 58.78 1 29 +A SER 30 2 56.77 1 30 +A ASN 31 2 63.36 1 31 +A THR 32 2 54.93 1 32 +A GLY 33 2 56.81 1 33 +A ARG 34 2 51.39 1 34 +A SER 35 2 52.75 1 35 +A LEU 36 2 54.39 1 36 +A PHE 37 2 44.45 1 37 +A GLY 38 2 51.45 1 38 +A LEU 39 2 53.14 1 39 +A LYS 40 2 55.15 1 40 +A THR 41 2 41.56 1 41 +A GLY 42 2 47.00 1 42 +A SER 43 2 57.62 1 43 +A ARG 44 2 48.74 1 44 +A GLY 45 2 54.92 1 45 +A GLY 46 2 56.22 1 46 +A ARG 47 2 59.12 1 47 +A MET 48 2 61.00 1 48 +A THR 49 2 59.24 1 49 +A MET 50 2 79.45 1 50 +A ALA 51 2 91.56 1 51 +A ALA 52 2 95.10 1 52 +A TYR 53 2 97.39 1 53 +A LYS 54 2 97.92 1 54 +A VAL 55 2 98.15 1 55 +A THR 56 2 98.06 1 56 +A LEU 57 2 97.93 1 57 +A VAL 58 2 97.35 1 58 +A THR 59 2 95.76 1 59 +A PRO 60 2 93.95 1 60 +A THR 61 2 93.58 1 61 +A GLY 62 2 94.71 1 62 +A ASN 63 2 96.32 1 63 +A VAL 64 2 96.72 1 64 +A GLU 65 2 97.27 1 65 +A PHE 66 2 97.26 1 66 +A GLN 67 2 97.06 1 67 +A CYS 68 2 96.89 1 68 +A PRO 69 2 96.13 1 69 +A ASP 70 2 95.31 1 70 +A ASP 71 2 94.63 1 71 +A VAL 72 2 96.39 1 72 +A TYR 73 2 97.16 1 73 +A ILE 74 2 97.32 1 74 +A LEU 75 2 97.32 1 75 +A ASP 76 2 96.85 1 76 +A ALA 77 2 97.02 1 77 +A ALA 78 2 96.98 1 78 +A GLU 79 2 96.34 1 79 +A GLU 80 2 96.41 1 80 +A GLU 81 2 96.03 1 81 +A GLY 82 2 95.60 1 82 +A ILE 83 2 95.50 1 83 +A ASP 84 2 94.24 1 84 +A LEU 85 2 95.31 1 85 +A PRO 86 2 95.42 1 86 +A TYR 87 2 95.33 1 87 +A SER 88 2 95.57 1 88 +A CYS 89 2 96.40 1 89 +A ARG 90 2 94.02 1 90 +A ALA 91 2 94.91 1 91 +A GLY 92 2 95.29 1 92 +A SER 93 2 95.82 1 93 +A CYS 94 2 96.09 1 94 +A SER 95 2 94.83 1 95 +A SER 96 2 96.73 1 96 +A CYS 97 2 96.99 1 97 +A ALA 98 2 97.36 1 98 +A GLY 99 2 97.46 1 99 +A LYS 100 2 97.48 1 100 +A LEU 101 2 98.00 1 101 +A LYS 102 2 97.25 1 102 +A THR 103 2 97.23 1 103 +A GLY 104 2 96.90 1 104 +A SER 105 2 96.43 1 105 +A LEU 106 2 96.86 1 106 +A ASN 107 2 96.33 1 107 +A GLN 108 2 96.30 1 108 +A ASP 109 2 95.43 1 109 +A ASP 110 2 95.52 1 110 +A GLN 111 2 95.77 1 111 +A SER 112 2 95.91 1 112 +A PHE 113 2 96.54 1 113 +A LEU 114 2 96.33 1 114 +A ASP 115 2 95.81 1 115 +A ASP 116 2 95.50 1 116 +A ASP 117 2 95.97 1 117 +A GLN 118 2 95.95 1 118 +A ILE 119 2 95.94 1 119 +A ASP 120 2 95.31 1 120 +A GLU 121 2 95.80 1 121 +A GLY 122 2 96.68 1 122 +A TRP 123 2 97.54 1 123 +A VAL 124 2 97.69 1 124 +A LEU 125 2 97.68 1 125 +A THR 126 2 97.06 1 126 +A CYS 127 2 97.42 1 127 +A ALA 128 2 97.30 1 128 +A ALA 129 2 97.44 1 129 +A TYR 130 2 97.59 1 130 +A PRO 131 2 97.30 1 131 +A VAL 132 2 96.81 1 132 +A SER 133 2 97.27 1 133 +A ASP 134 2 97.85 1 134 +A VAL 135 2 98.07 1 135 +A THR 136 2 98.25 1 136 +A ILE 137 2 98.15 1 137 +A GLU 138 2 97.71 1 138 +A THR 139 2 97.28 1 139 +A HIS 140 2 96.39 1 140 +A LYS 141 2 96.60 1 141 +A GLU 142 2 96.32 1 142 +A GLU 143 2 94.50 1 143 +A GLU 144 2 94.46 1 144 +A LEU 145 2 92.47 1 145 +A THR 146 2 89.15 1 146 +A ALA 147 2 87.34 1 147 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +_ma_target_entity.data_id 1 +_ma_target_entity.entity_id 1 +_ma_target_entity.origin "reference database" +# +_ma_target_entity_instance.asym_id A +_ma_target_entity_instance.details . +_ma_target_entity_instance.entity_id 1 +# +_ma_target_ref_db_details.db_accession P00221 +_ma_target_ref_db_details.db_code FER1_SPIOL +_ma_target_ref_db_details.db_name UNP +_ma_target_ref_db_details.gene_name PETF +_ma_target_ref_db_details.ncbi_taxonomy_id 3562 +_ma_target_ref_db_details.organism_scientific "Spinacia oleracea" +_ma_target_ref_db_details.seq_db_align_begin 1 +_ma_target_ref_db_details.seq_db_align_end 147 +_ma_target_ref_db_details.seq_db_isoform ? +_ma_target_ref_db_details.seq_db_sequence_checksum 76045050A0AA8697 +_ma_target_ref_db_details.seq_db_sequence_version_date 1991-08-01 +_ma_target_ref_db_details.target_entity_id 1 +# +loop_ +_ma_template_details.ordinal_id +_ma_template_details.target_asym_id +_ma_template_details.template_auth_asym_id +_ma_template_details.template_data_id +_ma_template_details.template_entity_type +_ma_template_details.template_id +_ma_template_details.template_model_num +_ma_template_details.template_origin +_ma_template_details.template_trans_matrix_id +1 A A 2 polymer 1 1 "reference database" 1 +2 A A 2 polymer 2 1 "reference database" 1 +3 A N 2 polymer 3 1 "reference database" 1 +4 A B 2 polymer 4 1 "reference database" 1 +# +loop_ +_ma_template_ref_db_details.db_accession_code +_ma_template_ref_db_details.db_name +_ma_template_ref_db_details.template_id +1FRR PDB 1 +1PFD PDB 2 +6YEZ PDB 3 +1IUE PDB 4 +# +_ma_template_trans_matrix.id 1 +_ma_template_trans_matrix.rot_matrix[1][1] 1.0 +_ma_template_trans_matrix.rot_matrix[1][2] 0.0 +_ma_template_trans_matrix.rot_matrix[1][3] 0.0 +_ma_template_trans_matrix.rot_matrix[2][1] 0.0 +_ma_template_trans_matrix.rot_matrix[2][2] 1.0 +_ma_template_trans_matrix.rot_matrix[2][3] 0.0 +_ma_template_trans_matrix.rot_matrix[3][1] 0.0 +_ma_template_trans_matrix.rot_matrix[3][2] 0.0 +_ma_template_trans_matrix.rot_matrix[3][3] 1.0 +_ma_template_trans_matrix.tr_vector[1] 0.0 +_ma_template_trans_matrix.tr_vector[2] 0.0 +_ma_template_trans_matrix.tr_vector[3] 0.0 +# +loop_ +_pdbx_audit_revision_details.data_content_type +_pdbx_audit_revision_details.description +_pdbx_audit_revision_details.ordinal +_pdbx_audit_revision_details.provider +_pdbx_audit_revision_details.revision_ordinal +_pdbx_audit_revision_details.type +"Structure model" "Format fixes, new metadata, initial SwissProt release" 2 repository 2 Remediation +"Structure model" "Format fixes, new metadata, initial UniProt release" 3 repository 3 Remediation +"Structure model" "Improved prediction accuracy, small format fixes" 4 repository 4 Remediation +# +loop_ +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.revision_date +"Structure model" 2 0 2 2021-12-09 +"Structure model" 3 0 3 2022-06-01 +"Structure model" 4 0 4 2022-09-30 +# +loop_ +_pdbx_data_usage.details +_pdbx_data_usage.id +_pdbx_data_usage.name +_pdbx_data_usage.type +_pdbx_data_usage.url +"Data in this file is available under a CC-BY-4.0 license." 1 CC-BY-4.0 license https://creativecommons.org/licenses/by/4.0/ +;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION +PROVIDED 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. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE +A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES +NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR +ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. +; +2 ? disclaimer ? +# +_pdbx_database_status.entry_id AF-P00221-F1 +_pdbx_database_status.recvd_initial_deposition_date 2022-06-01 +_pdbx_database_status.status_code REL +# +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_mon_id +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.seq_id +A 1 1 n MET . MET 1 A 1 +A 2 1 n ALA . ALA 2 A 2 +A 3 1 n ALA . ALA 3 A 3 +A 4 1 n THR . THR 4 A 4 +A 5 1 n THR . THR 5 A 5 +A 6 1 n THR . THR 6 A 6 +A 7 1 n THR . THR 7 A 7 +A 8 1 n MET . MET 8 A 8 +A 9 1 n MET . MET 9 A 9 +A 10 1 n GLY . GLY 10 A 10 +A 11 1 n MET . MET 11 A 11 +A 12 1 n ALA . ALA 12 A 12 +A 13 1 n THR . THR 13 A 13 +A 14 1 n THR . THR 14 A 14 +A 15 1 n PHE . PHE 15 A 15 +A 16 1 n VAL . VAL 16 A 16 +A 17 1 n PRO . PRO 17 A 17 +A 18 1 n LYS . LYS 18 A 18 +A 19 1 n PRO . PRO 19 A 19 +A 20 1 n GLN . GLN 20 A 20 +A 21 1 n ALA . ALA 21 A 21 +A 22 1 n PRO . PRO 22 A 22 +A 23 1 n PRO . PRO 23 A 23 +A 24 1 n MET . MET 24 A 24 +A 25 1 n MET . MET 25 A 25 +A 26 1 n ALA . ALA 26 A 26 +A 27 1 n ALA . ALA 27 A 27 +A 28 1 n LEU . LEU 28 A 28 +A 29 1 n PRO . PRO 29 A 29 +A 30 1 n SER . SER 30 A 30 +A 31 1 n ASN . ASN 31 A 31 +A 32 1 n THR . THR 32 A 32 +A 33 1 n GLY . GLY 33 A 33 +A 34 1 n ARG . ARG 34 A 34 +A 35 1 n SER . SER 35 A 35 +A 36 1 n LEU . LEU 36 A 36 +A 37 1 n PHE . PHE 37 A 37 +A 38 1 n GLY . GLY 38 A 38 +A 39 1 n LEU . LEU 39 A 39 +A 40 1 n LYS . LYS 40 A 40 +A 41 1 n THR . THR 41 A 41 +A 42 1 n GLY . GLY 42 A 42 +A 43 1 n SER . SER 43 A 43 +A 44 1 n ARG . ARG 44 A 44 +A 45 1 n GLY . GLY 45 A 45 +A 46 1 n GLY . GLY 46 A 46 +A 47 1 n ARG . ARG 47 A 47 +A 48 1 n MET . MET 48 A 48 +A 49 1 n THR . THR 49 A 49 +A 50 1 n MET . MET 50 A 50 +A 51 1 n ALA . ALA 51 A 51 +A 52 1 n ALA . ALA 52 A 52 +A 53 1 n TYR . TYR 53 A 53 +A 54 1 n LYS . LYS 54 A 54 +A 55 1 n VAL . VAL 55 A 55 +A 56 1 n THR . THR 56 A 56 +A 57 1 n LEU . LEU 57 A 57 +A 58 1 n VAL . VAL 58 A 58 +A 59 1 n THR . THR 59 A 59 +A 60 1 n PRO . PRO 60 A 60 +A 61 1 n THR . THR 61 A 61 +A 62 1 n GLY . GLY 62 A 62 +A 63 1 n ASN . ASN 63 A 63 +A 64 1 n VAL . VAL 64 A 64 +A 65 1 n GLU . GLU 65 A 65 +A 66 1 n PHE . PHE 66 A 66 +A 67 1 n GLN . GLN 67 A 67 +A 68 1 n CYS . CYS 68 A 68 +A 69 1 n PRO . PRO 69 A 69 +A 70 1 n ASP . ASP 70 A 70 +A 71 1 n ASP . ASP 71 A 71 +A 72 1 n VAL . VAL 72 A 72 +A 73 1 n TYR . TYR 73 A 73 +A 74 1 n ILE . ILE 74 A 74 +A 75 1 n LEU . LEU 75 A 75 +A 76 1 n ASP . ASP 76 A 76 +A 77 1 n ALA . ALA 77 A 77 +A 78 1 n ALA . ALA 78 A 78 +A 79 1 n GLU . GLU 79 A 79 +A 80 1 n GLU . GLU 80 A 80 +A 81 1 n GLU . GLU 81 A 81 +A 82 1 n GLY . GLY 82 A 82 +A 83 1 n ILE . ILE 83 A 83 +A 84 1 n ASP . ASP 84 A 84 +A 85 1 n LEU . LEU 85 A 85 +A 86 1 n PRO . PRO 86 A 86 +A 87 1 n TYR . TYR 87 A 87 +A 88 1 n SER . SER 88 A 88 +A 89 1 n CYS . CYS 89 A 89 +A 90 1 n ARG . ARG 90 A 90 +A 91 1 n ALA . ALA 91 A 91 +A 92 1 n GLY . GLY 92 A 92 +A 93 1 n SER . SER 93 A 93 +A 94 1 n CYS . CYS 94 A 94 +A 95 1 n SER . SER 95 A 95 +A 96 1 n SER . SER 96 A 96 +A 97 1 n CYS . CYS 97 A 97 +A 98 1 n ALA . ALA 98 A 98 +A 99 1 n GLY . GLY 99 A 99 +A 100 1 n LYS . LYS 100 A 100 +A 101 1 n LEU . LEU 101 A 101 +A 102 1 n LYS . LYS 102 A 102 +A 103 1 n THR . THR 103 A 103 +A 104 1 n GLY . GLY 104 A 104 +A 105 1 n SER . SER 105 A 105 +A 106 1 n LEU . LEU 106 A 106 +A 107 1 n ASN . ASN 107 A 107 +A 108 1 n GLN . GLN 108 A 108 +A 109 1 n ASP . ASP 109 A 109 +A 110 1 n ASP . ASP 110 A 110 +A 111 1 n GLN . GLN 111 A 111 +A 112 1 n SER . SER 112 A 112 +A 113 1 n PHE . PHE 113 A 113 +A 114 1 n LEU . LEU 114 A 114 +A 115 1 n ASP . ASP 115 A 115 +A 116 1 n ASP . ASP 116 A 116 +A 117 1 n ASP . ASP 117 A 117 +A 118 1 n GLN . GLN 118 A 118 +A 119 1 n ILE . ILE 119 A 119 +A 120 1 n ASP . ASP 120 A 120 +A 121 1 n GLU . GLU 121 A 121 +A 122 1 n GLY . GLY 122 A 122 +A 123 1 n TRP . TRP 123 A 123 +A 124 1 n VAL . VAL 124 A 124 +A 125 1 n LEU . LEU 125 A 125 +A 126 1 n THR . THR 126 A 126 +A 127 1 n CYS . CYS 127 A 127 +A 128 1 n ALA . ALA 128 A 128 +A 129 1 n ALA . ALA 129 A 129 +A 130 1 n TYR . TYR 130 A 130 +A 131 1 n PRO . PRO 131 A 131 +A 132 1 n VAL . VAL 132 A 132 +A 133 1 n SER . SER 133 A 133 +A 134 1 n ASP . ASP 134 A 134 +A 135 1 n VAL . VAL 135 A 135 +A 136 1 n THR . THR 136 A 136 +A 137 1 n ILE . ILE 137 A 137 +A 138 1 n GLU . GLU 138 A 138 +A 139 1 n THR . THR 139 A 139 +A 140 1 n HIS . HIS 140 A 140 +A 141 1 n LYS . LYS 141 A 141 +A 142 1 n GLU . GLU 142 A 142 +A 143 1 n GLU . GLU 143 A 143 +A 144 1 n GLU . GLU 144 A 144 +A 145 1 n LEU . LEU 145 A 145 +A 146 1 n THR . THR 146 A 146 +A 147 1 n ALA . ALA 147 A 147 +# +loop_ +_software.classification +_software.date +_software.description +_software.name +_software.pdbx_ordinal +_software.type +_software.version +other ? "Structure prediction" AlphaFold 1 package v2.0 +other ? "Secondary structure" dssp 2 library 4 +# +_struct_asym.entity_id 1 +_struct_asym.id A +# +loop_ +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_seq_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_seq_id +_struct_conf.conf_type_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_seq_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_comp_id +_struct_conf.end_label_seq_id +_struct_conf.id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.pdbx_end_PDB_ins_code +A PRO 17 A PRO 17 HELX_LH_PP_P A PRO 23 A PRO 23 HELX_LH_PP_P1 ? ? +A ALA 52 A ALA 52 STRN A THR 59 A THR 59 STRN1 ? ? +A PRO 60 A PRO 60 TURN_TY1_P A THR 61 A THR 61 TURN_TY1_P1 ? ? +A GLY 62 A GLY 62 STRN A PRO 69 A PRO 69 STRN2 ? ? +A ASP 70 A ASP 70 TURN_TY1_P A ASP 71 A ASP 71 TURN_TY1_P2 ? ? +A VAL 72 A VAL 72 BEND A VAL 72 A VAL 72 BEND1 ? ? +A ILE 74 A ILE 74 HELX_RH_AL_P A GLU 80 A GLU 80 HELX_RH_AL_P1 ? ? +A GLU 81 A GLU 81 TURN_TY1_P A GLY 82 A GLY 82 TURN_TY1_P3 ? ? +A SER 88 A SER 88 BEND A SER 88 A SER 88 BEND2 ? ? +A ARG 90 A ARG 90 BEND A GLY 92 A GLY 92 BEND3 ? ? +A CYS 94 A CYS 94 BEND A SER 95 A SER 95 BEND4 ? ? +A SER 96 A SER 96 TURN_TY1_P A CYS 97 A CYS 97 TURN_TY1_P4 ? ? +A ALA 98 A ALA 98 STRN A THR 103 A THR 103 STRN3 ? ? +A GLY 104 A GLY 104 BEND A GLY 104 A GLY 104 BEND5 ? ? +A LEU 106 A LEU 106 STRN A ASN 107 A ASN 107 STRN4 ? ? +A ASP 109 A ASP 109 TURN_TY1_P A ASP 110 A ASP 110 TURN_TY1_P5 ? ? +A PHE 113 A PHE 113 BEND A LEU 114 A LEU 114 BEND6 ? ? +A ASP 116 A ASP 116 HELX_RH_AL_P A ASP 120 A ASP 120 HELX_RH_AL_P2 ? ? +A GLU 121 A GLU 121 TURN_TY1_P A GLY 122 A GLY 122 TURN_TY1_P6 ? ? +A TRP 123 A TRP 123 STRN A LEU 125 A LEU 125 STRN5 ? ? +A THR 126 A THR 126 HELX_RH_3T_P A ALA 128 A ALA 128 HELX_RH_3T_P1 ? ? +A TYR 130 A TYR 130 STRN A PRO 131 A PRO 131 STRN6 ? ? +A VAL 132 A VAL 132 BEND A SER 133 A SER 133 BEND7 ? ? +A VAL 135 A VAL 135 STRN A GLU 138 A GLU 138 STRN7 ? ? +A GLU 142 A GLU 142 HELX_RH_AL_P A THR 146 A THR 146 HELX_RH_AL_P3 ? ? +# +loop_ +_struct_conf_type.criteria +_struct_conf_type.id +DSSP HELX_LH_PP_P +DSSP STRN +DSSP TURN_TY1_P +DSSP BEND +DSSP HELX_RH_AL_P +DSSP HELX_RH_3T_P +# +_struct_ref.db_code FER1_SPIOL +_struct_ref.db_name UNP +_struct_ref.entity_id 1 +_struct_ref.id 1 +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_align_end 147 +_struct_ref.pdbx_db_accession P00221 +_struct_ref.pdbx_db_isoform ? +_struct_ref.pdbx_seq_one_letter_code +;MAATTTTMMGMATTFVPKPQAPPMMAALPSNTGRSLFGLKTGSRGGRMTMAAYKVTLVTPTGNVEFQCPDDVYILDAAEE +EGIDLPYSCRAGSCSSCAGKLKTGSLNQDDQSFLDDDQIDEGWVLTCAAYPVSDVTIETHKEEELTA +; +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.db_align_beg 1 +_struct_ref_seq.db_align_end 147 +_struct_ref_seq.pdbx_PDB_id_code AF-P00221-F1 +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 147 +_struct_ref_seq.pdbx_db_accession P00221 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.ref_id 1 +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.seq_align_end 147 +# +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.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +_atom_site.pdbx_sifts_xref_db_acc +_atom_site.pdbx_sifts_xref_db_name +_atom_site.pdbx_sifts_xref_db_num +_atom_site.pdbx_sifts_xref_db_res +ATOM 1 N N . MET A 1 1 ? -39.014 9.370 -46.392 1.0 56.42 ? 1 MET A N 1 P00221 UNP 1 M +ATOM 2 C CA . MET A 1 1 ? -38.101 9.939 -47.404 1.0 56.42 ? 1 MET A CA 1 P00221 UNP 1 M +ATOM 3 C C . MET A 1 1 ? -37.586 11.272 -46.873 1.0 56.42 ? 1 MET A C 1 P00221 UNP 1 M +ATOM 4 C CB . MET A 1 1 ? -38.814 10.144 -48.758 1.0 56.42 ? 1 MET A CB 1 P00221 UNP 1 M +ATOM 5 O O . MET A 1 1 ? -38.287 12.259 -47.001 1.0 56.42 ? 1 MET A O 1 P00221 UNP 1 M +ATOM 6 C CG . MET A 1 1 ? -39.336 8.853 -49.398 1.0 56.42 ? 1 MET A CG 1 P00221 UNP 1 M +ATOM 7 S SD . MET A 1 1 ? -40.197 9.160 -50.960 1.0 56.42 ? 1 MET A SD 1 P00221 UNP 1 M +ATOM 8 C CE . MET A 1 1 ? -40.798 7.495 -51.352 1.0 56.42 ? 1 MET A CE 1 P00221 UNP 1 M +ATOM 9 N N . ALA A 1 2 ? -36.441 11.282 -46.191 1.0 52.97 ? 2 ALA A N 1 P00221 UNP 2 A +ATOM 10 C CA . ALA A 1 2 ? -35.633 12.474 -45.908 1.0 52.97 ? 2 ALA A CA 1 P00221 UNP 2 A +ATOM 11 C C . ALA A 1 2 ? -34.298 11.969 -45.346 1.0 52.97 ? 2 ALA A C 1 P00221 UNP 2 A +ATOM 12 C CB . ALA A 1 2 ? -36.323 13.418 -44.914 1.0 52.97 ? 2 ALA A CB 1 P00221 UNP 2 A +ATOM 13 O O . ALA A 1 2 ? -34.277 11.276 -44.333 1.0 52.97 ? 2 ALA A O 1 P00221 UNP 2 A +ATOM 14 N N . ALA A 1 3 ? -33.226 12.210 -46.094 1.0 60.41 ? 3 ALA A N 1 P00221 UNP 3 A +ATOM 15 C CA . ALA A 1 3 ? -31.889 11.705 -45.836 1.0 60.41 ? 3 ALA A CA 1 P00221 UNP 3 A +ATOM 16 C C . ALA A 1 3 ? -31.203 12.519 -44.731 1.0 60.41 ? 3 ALA A C 1 P00221 UNP 3 A +ATOM 17 C CB . ALA A 1 3 ? -31.119 11.774 -47.162 1.0 60.41 ? 3 ALA A CB 1 P00221 UNP 3 A +ATOM 18 O O . ALA A 1 3 ? -31.166 13.746 -44.800 1.0 60.41 ? 3 ALA A O 1 P00221 UNP 3 A +ATOM 19 N N . THR A 1 4 ? -30.639 11.836 -43.738 1.0 75.74 ? 4 THR A N 1 P00221 UNP 4 T +ATOM 20 C CA . THR A 1 4 ? -29.713 12.408 -42.759 1.0 75.74 ? 4 THR A CA 1 P00221 UNP 4 T +ATOM 21 C C . THR A 1 4 ? -28.288 12.255 -43.286 1.0 75.74 ? 4 THR A C 1 P00221 UNP 4 T +ATOM 22 C CB . THR A 1 4 ? -29.885 11.755 -41.378 1.0 75.74 ? 4 THR A CB 1 P00221 UNP 4 T +ATOM 23 O O . THR A 1 4 ? -27.767 11.154 -43.439 1.0 75.74 ? 4 THR A O 1 P00221 UNP 4 T +ATOM 24 C CG2 . THR A 1 4 ? -31.086 12.351 -40.643 1.0 75.74 ? 4 THR A CG2 1 P00221 UNP 4 T +ATOM 25 O OG1 . THR A 1 4 ? -30.133 10.370 -41.494 1.0 75.74 ? 4 THR A OG1 1 P00221 UNP 4 T +ATOM 26 N N . THR A 1 5 ? -27.675 13.384 -43.629 1.0 73.15 ? 5 THR A N 1 P00221 UNP 5 T +ATOM 27 C CA . THR A 1 5 ? -26.292 13.499 -44.093 1.0 73.15 ? 5 THR A CA 1 P00221 UNP 5 T +ATOM 28 C C . THR A 1 5 ? -25.312 13.322 -42.938 1.0 73.15 ? 5 THR A C 1 P00221 UNP 5 T +ATOM 29 C CB . THR A 1 5 ? -26.068 14.866 -44.758 1.0 73.15 ? 5 THR A CB 1 P00221 UNP 5 T +ATOM 30 O O . THR A 1 5 ? -25.357 14.052 -41.950 1.0 73.15 ? 5 THR A O 1 P00221 UNP 5 T +ATOM 31 C CG2 . THR A 1 5 ? -26.638 14.892 -46.177 1.0 73.15 ? 5 THR A CG2 1 P00221 UNP 5 T +ATOM 32 O OG1 . THR A 1 5 ? -26.727 15.872 -44.019 1.0 73.15 ? 5 THR A OG1 1 P00221 UNP 5 T +ATOM 33 N N . THR A 1 6 ? -24.420 12.351 -43.099 1.0 67.00 ? 6 THR A N 1 P00221 UNP 6 T +ATOM 34 C CA . THR A 1 6 ? -23.256 12.052 -42.263 1.0 67.00 ? 6 THR A CA 1 P00221 UNP 6 T +ATOM 35 C C . THR A 1 6 ? -22.177 13.123 -42.448 1.0 67.00 ? 6 THR A C 1 P00221 UNP 6 T +ATOM 36 C CB . THR A 1 6 ? -22.698 10.685 -42.709 1.0 67.00 ? 6 THR A CB 1 P00221 UNP 6 T +ATOM 37 O O . THR A 1 6 ? -21.684 13.305 -43.560 1.0 67.00 ? 6 THR A O 1 P00221 UNP 6 T +ATOM 38 C CG2 . THR A 1 6 ? -21.659 10.094 -41.760 1.0 67.00 ? 6 THR A CG2 1 P00221 UNP 6 T +ATOM 39 O OG1 . THR A 1 6 ? -23.744 9.744 -42.826 1.0 67.00 ? 6 THR A OG1 1 P00221 UNP 6 T +ATOM 40 N N . THR A 1 7 ? -21.772 13.797 -41.371 1.0 68.61 ? 7 THR A N 1 P00221 UNP 7 T +ATOM 41 C CA . THR A 1 7 ? -20.586 14.668 -41.358 1.0 68.61 ? 7 THR A CA 1 P00221 UNP 7 T +ATOM 42 C C . THR A 1 7 ? -19.461 13.943 -40.633 1.0 68.61 ? 7 THR A C 1 P00221 UNP 7 T +ATOM 43 C CB . THR A 1 7 ? -20.860 16.037 -40.714 1.0 68.61 ? 7 THR A CB 1 P00221 UNP 7 T +ATOM 44 O O . THR A 1 7 ? -19.570 13.644 -39.447 1.0 68.61 ? 7 THR A O 1 P00221 UNP 7 T +ATOM 45 C CG2 . THR A 1 7 ? -19.727 17.030 -40.983 1.0 68.61 ? 7 THR A CG2 1 P00221 UNP 7 T +ATOM 46 O OG1 . THR A 1 7 ? -22.024 16.606 -41.266 1.0 68.61 ? 7 THR A OG1 1 P00221 UNP 7 T +ATOM 47 N N . MET A 1 8 ? -18.394 13.636 -41.369 1.0 67.08 ? 8 MET A N 1 P00221 UNP 8 M +ATOM 48 C CA . MET A 1 8 ? -17.144 13.096 -40.846 1.0 67.08 ? 8 MET A CA 1 P00221 UNP 8 M +ATOM 49 C C . MET A 1 8 ? -16.195 14.248 -40.479 1.0 67.08 ? 8 MET A C 1 P00221 UNP 8 M +ATOM 50 C CB . MET A 1 8 ? -16.487 12.177 -41.894 1.0 67.08 ? 8 MET A CB 1 P00221 UNP 8 M +ATOM 51 O O . MET A 1 8 ? -15.835 15.048 -41.336 1.0 67.08 ? 8 MET A O 1 P00221 UNP 8 M +ATOM 52 C CG . MET A 1 8 ? -17.331 10.945 -42.243 1.0 67.08 ? 8 MET A CG 1 P00221 UNP 8 M +ATOM 53 S SD . MET A 1 8 ? -16.394 9.671 -43.131 1.0 67.08 ? 8 MET A SD 1 P00221 UNP 8 M +ATOM 54 C CE . MET A 1 8 ? -17.646 8.366 -43.244 1.0 67.08 ? 8 MET A CE 1 P00221 UNP 8 M +ATOM 55 N N . MET A 1 9 ? -15.749 14.292 -39.227 1.0 67.60 ? 9 MET A N 1 P00221 UNP 9 M +ATOM 56 C CA . MET A 1 9 ? -14.502 14.928 -38.780 1.0 67.60 ? 9 MET A CA 1 P00221 UNP 9 M +ATOM 57 C C . MET A 1 9 ? -13.861 13.880 -37.856 1.0 67.60 ? 9 MET A C 1 P00221 UNP 9 M +ATOM 58 C CB . MET A 1 9 ? -14.779 16.249 -38.030 1.0 67.60 ? 9 MET A CB 1 P00221 UNP 9 M +ATOM 59 O O . MET A 1 9 ? -14.491 13.455 -36.899 1.0 67.60 ? 9 MET A O 1 P00221 UNP 9 M +ATOM 60 C CG . MET A 1 9 ? -14.778 17.512 -38.909 1.0 67.60 ? 9 MET A CG 1 P00221 UNP 9 M +ATOM 61 S SD . MET A 1 9 ? -16.392 18.248 -39.302 1.0 67.60 ? 9 MET A SD 1 P00221 UNP 9 M +ATOM 62 C CE . MET A 1 9 ? -15.832 19.839 -39.972 1.0 67.60 ? 9 MET A CE 1 P00221 UNP 9 M +ATOM 63 N N . GLY A 1 10 ? -12.709 13.281 -38.147 1.0 61.80 ? 10 GLY A N 1 P00221 UNP 10 G +ATOM 64 C CA . GLY A 1 10 ? -11.450 13.942 -38.472 1.0 61.80 ? 10 GLY A CA 1 P00221 UNP 10 G +ATOM 65 C C . GLY A 1 10 ? -10.628 14.061 -37.186 1.0 61.80 ? 10 GLY A C 1 P00221 UNP 10 G +ATOM 66 O O . GLY A 1 10 ? -10.470 15.160 -36.672 1.0 61.80 ? 10 GLY A O 1 P00221 UNP 10 G +ATOM 67 N N . MET A 1 11 ? -10.169 12.933 -36.630 1.0 68.90 ? 11 MET A N 1 P00221 UNP 11 M +ATOM 68 C CA . MET A 1 11 ? -9.299 12.907 -35.449 1.0 68.90 ? 11 MET A CA 1 P00221 UNP 11 M +ATOM 69 C C . MET A 1 11 ? -7.849 12.748 -35.907 1.0 68.90 ? 11 MET A C 1 P00221 UNP 11 M +ATOM 70 C CB . MET A 1 11 ? -9.730 11.809 -34.464 1.0 68.90 ? 11 MET A CB 1 P00221 UNP 11 M +ATOM 71 O O . MET A 1 11 ? -7.453 11.704 -36.420 1.0 68.90 ? 11 MET A O 1 P00221 UNP 11 M +ATOM 72 C CG . MET A 1 11 ? -11.105 12.118 -33.862 1.0 68.90 ? 11 MET A CG 1 P00221 UNP 11 M +ATOM 73 S SD . MET A 1 11 ? -11.617 10.959 -32.571 1.0 68.90 ? 11 MET A SD 1 P00221 UNP 11 M +ATOM 74 C CE . MET A 1 11 ? -13.085 11.820 -31.949 1.0 68.90 ? 11 MET A CE 1 P00221 UNP 11 M +ATOM 75 N N . ALA A 1 12 ? -7.081 13.827 -35.776 1.0 61.95 ? 12 ALA A N 1 P00221 UNP 12 A +ATOM 76 C CA . ALA A 1 12 ? -5.652 13.854 -36.038 1.0 61.95 ? 12 ALA A CA 1 P00221 UNP 12 A +ATOM 77 C C . ALA A 1 12 ? -4.907 13.176 -34.879 1.0 61.95 ? 12 ALA A C 1 P00221 UNP 12 A +ATOM 78 C CB . ALA A 1 12 ? -5.228 15.317 -36.228 1.0 61.95 ? 12 ALA A CB 1 P00221 UNP 12 A +ATOM 79 O O . ALA A 1 12 ? -4.921 13.666 -33.754 1.0 61.95 ? 12 ALA A O 1 P00221 UNP 12 A +ATOM 80 N N . THR A 1 13 ? -4.245 12.056 -35.156 1.0 68.99 ? 13 THR A N 1 P00221 UNP 13 T +ATOM 81 C CA . THR A 1 13 ? -3.341 11.386 -34.216 1.0 68.99 ? 13 THR A CA 1 P00221 UNP 13 T +ATOM 82 C C . THR A 1 13 ? -1.956 12.025 -34.298 1.0 68.99 ? 13 THR A C 1 P00221 UNP 13 T +ATOM 83 C CB . THR A 1 13 ? -3.259 9.881 -34.519 1.0 68.99 ? 13 THR A CB 1 P00221 UNP 13 T +ATOM 84 O O . THR A 1 13 ? -1.209 11.795 -35.252 1.0 68.99 ? 13 THR A O 1 P00221 UNP 13 T +ATOM 85 C CG2 . THR A 1 13 ? -4.580 9.169 -34.230 1.0 68.99 ? 13 THR A CG2 1 P00221 UNP 13 T +ATOM 86 O OG1 . THR A 1 13 ? -2.949 9.691 -35.883 1.0 68.99 ? 13 THR A OG1 1 P00221 UNP 13 T +ATOM 87 N N . THR A 1 14 ? -1.594 12.836 -33.308 1.0 70.93 ? 14 THR A N 1 P00221 UNP 14 T +ATOM 88 C CA . THR A 1 14 ? -0.216 13.297 -33.105 1.0 70.93 ? 14 THR A CA 1 P00221 UNP 14 T +ATOM 89 C C . THR A 1 14 ? 0.611 12.185 -32.464 1.0 70.93 ? 14 THR A C 1 P00221 UNP 14 T +ATOM 90 C CB . THR A 1 14 ? -0.162 14.578 -32.257 1.0 70.93 ? 14 THR A CB 1 P00221 UNP 14 T +ATOM 91 O O . THR A 1 14 ? 0.535 11.946 -31.263 1.0 70.93 ? 14 THR A O 1 P00221 UNP 14 T +ATOM 92 C CG2 . THR A 1 14 ? -0.412 15.813 -33.121 1.0 70.93 ? 14 THR A CG2 1 P00221 UNP 14 T +ATOM 93 O OG1 . THR A 1 14 ? -1.151 14.557 -31.254 1.0 70.93 ? 14 THR A OG1 1 P00221 UNP 14 T +ATOM 94 N N . PHE A 1 15 ? 1.408 11.510 -33.290 1.0 65.35 ? 15 PHE A N 1 P00221 UNP 15 F +ATOM 95 C CA . PHE A 1 15 ? 2.501 10.634 -32.877 1.0 65.35 ? 15 PHE A CA 1 P00221 UNP 15 F +ATOM 96 C C . PHE A 1 15 ? 3.608 11.463 -32.206 1.0 65.35 ? 15 PHE A C 1 P00221 UNP 15 F +ATOM 97 C CB . PHE A 1 15 ? 3.057 9.914 -34.122 1.0 65.35 ? 15 PHE A CB 1 P00221 UNP 15 F +ATOM 98 O O . PHE A 1 15 ? 4.233 12.301 -32.856 1.0 65.35 ? 15 PHE A O 1 P00221 UNP 15 F +ATOM 99 C CG . PHE A 1 15 ? 2.510 8.521 -34.363 1.0 65.35 ? 15 PHE A CG 1 P00221 UNP 15 F +ATOM 100 C CD1 . PHE A 1 15 ? 3.308 7.404 -34.051 1.0 65.35 ? 15 PHE A CD1 1 P00221 UNP 15 F +ATOM 101 C CD2 . PHE A 1 15 ? 1.222 8.331 -34.900 1.0 65.35 ? 15 PHE A CD2 1 P00221 UNP 15 F +ATOM 102 C CE1 . PHE A 1 15 ? 2.824 6.103 -34.272 1.0 65.35 ? 15 PHE A CE1 1 P00221 UNP 15 F +ATOM 103 C CE2 . PHE A 1 15 ? 0.737 7.028 -35.118 1.0 65.35 ? 15 PHE A CE2 1 P00221 UNP 15 F +ATOM 104 C CZ . PHE A 1 15 ? 1.538 5.915 -34.805 1.0 65.35 ? 15 PHE A CZ 1 P00221 UNP 15 F +ATOM 105 N N . VAL A 1 16 ? 3.879 11.206 -30.924 1.0 69.16 ? 16 VAL A N 1 P00221 UNP 16 V +ATOM 106 C CA . VAL A 1 16 ? 5.053 11.728 -30.209 1.0 69.16 ? 16 VAL A CA 1 P00221 UNP 16 V +ATOM 107 C C . VAL A 1 16 ? 6.105 10.614 -30.129 1.0 69.16 ? 16 VAL A C 1 P00221 UNP 16 V +ATOM 108 C CB . VAL A 1 16 ? 4.685 12.247 -28.804 1.0 69.16 ? 16 VAL A CB 1 P00221 UNP 16 V +ATOM 109 O O . VAL A 1 16 ? 5.853 9.591 -29.492 1.0 69.16 ? 16 VAL A O 1 P00221 UNP 16 V +ATOM 110 C CG1 . VAL A 1 16 ? 5.923 12.780 -28.066 1.0 69.16 ? 16 VAL A CG1 1 P00221 UNP 16 V +ATOM 111 C CG2 . VAL A 1 16 ? 3.664 13.390 -28.891 1.0 69.16 ? 16 VAL A CG2 1 P00221 UNP 16 V +ATOM 112 N N . PRO A 1 17 ? 7.283 10.760 -30.762 1.0 68.00 ? 17 PRO A N 1 P00221 UNP 17 P +ATOM 113 C CA . PRO A 1 17 ? 8.367 9.795 -30.622 1.0 68.00 ? 17 PRO A CA 1 P00221 UNP 17 P +ATOM 114 C C . PRO A 1 17 ? 9.140 10.019 -29.310 1.0 68.00 ? 17 PRO A C 1 P00221 UNP 17 P +ATOM 115 C CB . PRO A 1 17 ? 9.225 9.974 -31.876 1.0 68.00 ? 17 PRO A CB 1 P00221 UNP 17 P +ATOM 116 O O . PRO A 1 17 ? 9.602 11.122 -29.017 1.0 68.00 ? 17 PRO A O 1 P00221 UNP 17 P +ATOM 117 C CG . PRO A 1 17 ? 9.023 11.444 -32.246 1.0 68.00 ? 17 PRO A CG 1 P00221 UNP 17 P +ATOM 118 C CD . PRO A 1 17 ? 7.616 11.776 -31.748 1.0 68.00 ? 17 PRO A CD 1 P00221 UNP 17 P +ATOM 119 N N . LYS A 1 18 ? 9.303 8.946 -28.527 1.0 66.26 ? 18 LYS A N 1 P00221 UNP 18 K +ATOM 120 C CA . LYS A 1 18 ? 10.091 8.895 -27.284 1.0 66.26 ? 18 LYS A CA 1 P00221 UNP 18 K +ATOM 121 C C . LYS A 1 18 ? 11.603 8.938 -27.597 1.0 66.26 ? 18 LYS A C 1 P00221 UNP 18 K +ATOM 122 C CB . LYS A 1 18 ? 9.671 7.623 -26.519 1.0 66.26 ? 18 LYS A CB 1 P00221 UNP 18 K +ATOM 123 O O . LYS A 1 18 ? 12.047 8.200 -28.480 1.0 66.26 ? 18 LYS A O 1 P00221 UNP 18 K +ATOM 124 C CG . LYS A 1 18 ? 10.240 7.480 -25.097 1.0 66.26 ? 18 LYS A CG 1 P00221 UNP 18 K +ATOM 125 C CD . LYS A 1 18 ? 9.583 6.288 -24.372 1.0 66.26 ? 18 LYS A CD 1 P00221 UNP 18 K +ATOM 126 C CE . LYS A 1 18 ? 10.233 6.032 -23.003 1.0 66.26 ? 18 LYS A CE 1 P00221 UNP 18 K +ATOM 127 N NZ . LYS A 1 18 ? 9.415 5.123 -22.151 1.0 66.26 ? 18 LYS A NZ 1 P00221 UNP 18 K +ATOM 128 N N . PRO A 1 19 ? 12.415 9.751 -26.894 1.0 67.49 ? 19 PRO A N 1 P00221 UNP 19 P +ATOM 129 C CA . PRO A 1 19 ? 13.861 9.796 -27.100 1.0 67.49 ? 19 PRO A CA 1 P00221 UNP 19 P +ATOM 130 C C . PRO A 1 19 ? 14.553 8.556 -26.510 1.0 67.49 ? 19 PRO A C 1 P00221 UNP 19 P +ATOM 131 C CB . PRO A 1 19 ? 14.326 11.109 -26.464 1.0 67.49 ? 19 PRO A CB 1 P00221 UNP 19 P +ATOM 132 O O . PRO A 1 19 ? 14.304 8.164 -25.370 1.0 67.49 ? 19 PRO A O 1 P00221 UNP 19 P +ATOM 133 C CG . PRO A 1 19 ? 13.292 11.364 -25.367 1.0 67.49 ? 19 PRO A CG 1 P00221 UNP 19 P +ATOM 134 C CD . PRO A 1 19 ? 12.006 10.748 -25.916 1.0 67.49 ? 19 PRO A CD 1 P00221 UNP 19 P +ATOM 135 N N . GLN A 1 20 ? 15.431 7.942 -27.305 1.0 60.48 ? 20 GLN A N 1 P00221 UNP 20 Q +ATOM 136 C CA . GLN A 1 20 ? 16.304 6.832 -26.914 1.0 60.48 ? 20 GLN A CA 1 P00221 UNP 20 Q +ATOM 137 C C . GLN A 1 20 ? 17.501 7.354 -26.101 1.0 60.48 ? 20 GLN A C 1 P00221 UNP 20 Q +ATOM 138 C CB . GLN A 1 20 ? 16.795 6.101 -28.179 1.0 60.48 ? 20 GLN A CB 1 P00221 UNP 20 Q +ATOM 139 O O . GLN A 1 20 ? 18.190 8.279 -26.531 1.0 60.48 ? 20 GLN A O 1 P00221 UNP 20 Q +ATOM 140 C CG . GLN A 1 20 ? 15.684 5.314 -28.899 1.0 60.48 ? 20 GLN A CG 1 P00221 UNP 20 Q +ATOM 141 C CD . GLN A 1 20 ? 16.153 4.671 -30.206 1.0 60.48 ? 20 GLN A CD 1 P00221 UNP 20 Q +ATOM 142 N NE2 . GLN A 1 20 ? 15.459 3.669 -30.698 1.0 60.48 ? 20 GLN A NE2 1 P00221 UNP 20 Q +ATOM 143 O OE1 . GLN A 1 20 ? 17.131 5.056 -30.823 1.0 60.48 ? 20 GLN A OE1 1 P00221 UNP 20 Q +ATOM 144 N N . ALA A 1 21 ? 17.770 6.744 -24.944 1.0 63.79 ? 21 ALA A N 1 P00221 UNP 21 A +ATOM 145 C CA . ALA A 1 21 ? 18.982 6.983 -24.163 1.0 63.79 ? 21 ALA A CA 1 P00221 UNP 21 A +ATOM 146 C C . ALA A 1 21 ? 20.168 6.174 -24.736 1.0 63.79 ? 21 ALA A C 1 P00221 UNP 21 A +ATOM 147 C CB . ALA A 1 21 ? 18.708 6.618 -22.698 1.0 63.79 ? 21 ALA A CB 1 P00221 UNP 21 A +ATOM 148 O O . ALA A 1 21 ? 19.989 4.997 -25.060 1.0 63.79 ? 21 ALA A O 1 P00221 UNP 21 A +ATOM 149 N N . PRO A 1 22 ? 21.377 6.755 -24.859 1.0 69.72 ? 22 PRO A N 1 P00221 UNP 22 P +ATOM 150 C CA . PRO A 1 22 ? 22.566 6.021 -25.281 1.0 69.72 ? 22 PRO A CA 1 P00221 UNP 22 P +ATOM 151 C C . PRO A 1 22 ? 23.206 5.223 -24.125 1.0 69.72 ? 22 PRO A C 1 P00221 UNP 22 P +ATOM 152 C CB . PRO A 1 22 ? 23.510 7.080 -25.849 1.0 69.72 ? 22 PRO A CB 1 P00221 UNP 22 P +ATOM 153 O O . PRO A 1 22 ? 23.093 5.618 -22.961 1.0 69.72 ? 22 PRO A O 1 P00221 UNP 22 P +ATOM 154 C CG . PRO A 1 22 ? 23.172 8.319 -25.020 1.0 69.72 ? 22 PRO A CG 1 P00221 UNP 22 P +ATOM 155 C CD . PRO A 1 22 ? 21.677 8.173 -24.730 1.0 69.72 ? 22 PRO A CD 1 P00221 UNP 22 P +ATOM 156 N N . PRO A 1 23 ? 23.908 4.114 -24.428 1.0 54.38 ? 23 PRO A N 1 P00221 UNP 23 P +ATOM 157 C CA . PRO A 1 23 ? 24.531 3.259 -23.429 1.0 54.38 ? 23 PRO A CA 1 P00221 UNP 23 P +ATOM 158 C C . PRO A 1 23 ? 25.875 3.820 -22.933 1.0 54.38 ? 23 PRO A C 1 P00221 UNP 23 P +ATOM 159 C CB . PRO A 1 23 ? 24.677 1.898 -24.119 1.0 54.38 ? 23 PRO A CB 1 P00221 UNP 23 P +ATOM 160 O O . PRO A 1 23 ? 26.640 4.425 -23.680 1.0 54.38 ? 23 PRO A O 1 P00221 UNP 23 P +ATOM 161 C CG . PRO A 1 23 ? 24.928 2.278 -25.575 1.0 54.38 ? 23 PRO A CG 1 P00221 UNP 23 P +ATOM 162 C CD . PRO A 1 23 ? 24.106 3.552 -25.758 1.0 54.38 ? 23 PRO A CD 1 P00221 UNP 23 P +ATOM 163 N N . MET A 1 24 ? 26.130 3.557 -21.647 1.0 54.35 ? 24 MET A N 1 P00221 UNP 24 M +ATOM 164 C CA . MET A 1 24 ? 27.420 3.347 -20.972 1.0 54.35 ? 24 MET A CA 1 P00221 UNP 24 M +ATOM 165 C C . MET A 1 24 ? 28.663 3.269 -21.879 1.0 54.35 ? 24 MET A C 1 P00221 UNP 24 M +ATOM 166 C CB . MET A 1 24 ? 27.288 2.023 -20.174 1.0 54.35 ? 24 MET A CB 1 P00221 UNP 24 M +ATOM 167 O O . MET A 1 24 ? 28.665 2.495 -22.828 1.0 54.35 ? 24 MET A O 1 P00221 UNP 24 M +ATOM 168 C CG . MET A 1 24 ? 26.918 0.804 -21.048 1.0 54.35 ? 24 MET A CG 1 P00221 UNP 24 M +ATOM 169 S SD . MET A 1 24 ? 26.336 -0.675 -20.187 1.0 54.35 ? 24 MET A SD 1 P00221 UNP 24 M +ATOM 170 C CE . MET A 1 24 ? 25.725 -1.615 -21.619 1.0 54.35 ? 24 MET A CE 1 P00221 UNP 24 M +ATOM 171 N N . MET A 1 25 ? 29.736 3.994 -21.521 1.0 57.94 ? 25 MET A N 1 P00221 UNP 25 M +ATOM 172 C CA . MET A 1 25 ? 31.137 3.522 -21.443 1.0 57.94 ? 25 MET A CA 1 P00221 UNP 25 M +ATOM 173 C C . MET A 1 25 ? 32.107 4.684 -21.139 1.0 57.94 ? 25 MET A C 1 P00221 UNP 25 M +ATOM 174 C CB . MET A 1 25 ? 31.622 2.799 -22.721 1.0 57.94 ? 25 MET A CB 1 P00221 UNP 25 M +ATOM 175 O O . MET A 1 25 ? 32.029 5.750 -21.737 1.0 57.94 ? 25 MET A O 1 P00221 UNP 25 M +ATOM 176 C CG . MET A 1 25 ? 31.249 1.303 -22.751 1.0 57.94 ? 25 MET A CG 1 P00221 UNP 25 M +ATOM 177 S SD . MET A 1 25 ? 32.392 0.111 -22.025 1.0 57.94 ? 25 MET A SD 1 P00221 UNP 25 M +ATOM 178 C CE . MET A 1 25 ? 31.287 -1.331 -22.097 1.0 57.94 ? 25 MET A CE 1 P00221 UNP 25 M +ATOM 179 N N . ALA A 1 26 ? 33.075 4.375 -20.269 1.0 54.08 ? 26 ALA A N 1 P00221 UNP 26 A +ATOM 180 C CA . ALA A 1 26 ? 34.419 4.952 -20.157 1.0 54.08 ? 26 ALA A CA 1 P00221 UNP 26 A +ATOM 181 C C . ALA A 1 26 ? 34.587 6.408 -19.664 1.0 54.08 ? 26 ALA A C 1 P00221 UNP 26 A +ATOM 182 C CB . ALA A 1 26 ? 35.161 4.695 -21.477 1.0 54.08 ? 26 ALA A CB 1 P00221 UNP 26 A +ATOM 183 O O . ALA A 1 26 ? 34.390 7.367 -20.397 1.0 54.08 ? 26 ALA A O 1 P00221 UNP 26 A +ATOM 184 N N . ALA A 1 27 ? 35.151 6.570 -18.462 1.0 53.27 ? 27 ALA A N 1 P00221 UNP 27 A +ATOM 185 C CA . ALA A 1 27 ? 36.600 6.774 -18.296 1.0 53.27 ? 27 ALA A CA 1 P00221 UNP 27 A +ATOM 186 C C . ALA A 1 27 ? 36.923 7.323 -16.892 1.0 53.27 ? 27 ALA A C 1 P00221 UNP 27 A +ATOM 187 C CB . ALA A 1 27 ? 37.186 7.717 -19.361 1.0 53.27 ? 27 ALA A CB 1 P00221 UNP 27 A +ATOM 188 O O . ALA A 1 27 ? 36.566 8.443 -16.539 1.0 53.27 ? 27 ALA A O 1 P00221 UNP 27 A +ATOM 189 N N . LEU A 1 28 ? 37.655 6.530 -16.107 1.0 53.66 ? 28 LEU A N 1 P00221 UNP 28 L +ATOM 190 C CA . LEU A 1 28 ? 38.425 7.000 -14.954 1.0 53.66 ? 28 LEU A CA 1 P00221 UNP 28 L +ATOM 191 C C . LEU A 1 28 ? 39.713 7.659 -15.466 1.0 53.66 ? 28 LEU A C 1 P00221 UNP 28 L +ATOM 192 C CB . LEU A 1 28 ? 38.781 5.786 -14.071 1.0 53.66 ? 28 LEU A CB 1 P00221 UNP 28 L +ATOM 193 O O . LEU A 1 28 ? 40.328 7.138 -16.401 1.0 53.66 ? 28 LEU A O 1 P00221 UNP 28 L +ATOM 194 C CG . LEU A 1 28 ? 37.589 5.186 -13.302 1.0 53.66 ? 28 LEU A CG 1 P00221 UNP 28 L +ATOM 195 C CD1 . LEU A 1 28 ? 37.835 3.706 -13.007 1.0 53.66 ? 28 LEU A CD1 1 P00221 UNP 28 L +ATOM 196 C CD2 . LEU A 1 28 ? 37.377 5.913 -11.974 1.0 53.66 ? 28 LEU A CD2 1 P00221 UNP 28 L +ATOM 197 N N . PRO A 1 29 ? 40.194 8.715 -14.795 1.0 58.78 ? 29 PRO A N 1 P00221 UNP 29 P +ATOM 198 C CA . PRO A 1 29 ? 41.602 8.685 -14.429 1.0 58.78 ? 29 PRO A CA 1 P00221 UNP 29 P +ATOM 199 C C . PRO A 1 29 ? 41.873 9.128 -12.988 1.0 58.78 ? 29 PRO A C 1 P00221 UNP 29 P +ATOM 200 C CB . PRO A 1 29 ? 42.333 9.560 -15.447 1.0 58.78 ? 29 PRO A CB 1 P00221 UNP 29 P +ATOM 201 O O . PRO A 1 29 ? 41.378 10.136 -12.487 1.0 58.78 ? 29 PRO A O 1 P00221 UNP 29 P +ATOM 202 C CG . PRO A 1 29 ? 41.267 10.542 -15.933 1.0 58.78 ? 29 PRO A CG 1 P00221 UNP 29 P +ATOM 203 C CD . PRO A 1 29 ? 39.944 10.041 -15.343 1.0 58.78 ? 29 PRO A CD 1 P00221 UNP 29 P +ATOM 204 N N . SER A 1 30 ? 42.752 8.344 -12.369 1.0 56.77 ? 30 SER A N 1 P00221 UNP 30 S +ATOM 205 C CA . SER A 1 30 ? 43.668 8.691 -11.289 1.0 56.77 ? 30 SER A CA 1 P00221 UNP 30 S +ATOM 206 C C . SER A 1 30 ? 44.260 10.093 -11.456 1.0 56.77 ? 30 SER A C 1 P00221 UNP 30 S +ATOM 207 C CB . SER A 1 30 ? 44.853 7.710 -11.388 1.0 56.77 ? 30 SER A CB 1 P00221 UNP 30 S +ATOM 208 O O . SER A 1 30 ? 44.618 10.444 -12.576 1.0 56.77 ? 30 SER A O 1 P00221 UNP 30 S +ATOM 209 O OG . SER A 1 30 ? 44.410 6.372 -11.553 1.0 56.77 ? 30 SER A OG 1 P00221 UNP 30 S +ATOM 210 N N . ASN A 1 31 ? 44.463 10.832 -10.357 1.0 63.36 ? 31 ASN A N 1 P00221 UNP 31 N +ATOM 211 C CA . ASN A 1 31 ? 45.768 11.393 -9.957 1.0 63.36 ? 31 ASN A CA 1 P00221 UNP 31 N +ATOM 212 C C . ASN A 1 31 ? 45.614 12.475 -8.859 1.0 63.36 ? 31 ASN A C 1 P00221 UNP 31 N +ATOM 213 C CB . ASN A 1 31 ? 46.575 11.969 -11.150 1.0 63.36 ? 31 ASN A CB 1 P00221 UNP 31 N +ATOM 214 O O . ASN A 1 31 ? 45.147 13.575 -9.115 1.0 63.36 ? 31 ASN A O 1 P00221 UNP 31 N +ATOM 215 C CG . ASN A 1 31 ? 48.038 12.187 -10.869 1.0 63.36 ? 31 ASN A CG 1 P00221 UNP 31 N +ATOM 216 N ND2 . ASN A 1 31 ? 48.645 13.181 -11.465 1.0 63.36 ? 31 ASN A ND2 1 P00221 UNP 31 N +ATOM 217 O OD1 . ASN A 1 31 ? 48.677 11.424 -10.167 1.0 63.36 ? 31 ASN A OD1 1 P00221 UNP 31 N +ATOM 218 N N . THR A 1 32 ? 46.108 12.141 -7.664 1.0 54.93 ? 32 THR A N 1 P00221 UNP 32 T +ATOM 219 C CA . THR A 1 32 ? 47.033 12.944 -6.839 1.0 54.93 ? 32 THR A CA 1 P00221 UNP 32 T +ATOM 220 C C . THR A 1 32 ? 46.662 14.357 -6.373 1.0 54.93 ? 32 THR A C 1 P00221 UNP 32 T +ATOM 221 C CB . THR A 1 32 ? 48.407 12.958 -7.522 1.0 54.93 ? 32 THR A CB 1 P00221 UNP 32 T +ATOM 222 O O . THR A 1 32 ? 46.634 15.313 -7.138 1.0 54.93 ? 32 THR A O 1 P00221 UNP 32 T +ATOM 223 C CG2 . THR A 1 32 ? 49.533 13.643 -6.754 1.0 54.93 ? 32 THR A CG2 1 P00221 UNP 32 T +ATOM 224 O OG1 . THR A 1 32 ? 48.804 11.616 -7.640 1.0 54.93 ? 32 THR A OG1 1 P00221 UNP 32 T +ATOM 225 N N . GLY A 1 33 ? 46.630 14.511 -5.043 1.0 56.81 ? 33 GLY A N 1 P00221 UNP 33 G +ATOM 226 C CA . GLY A 1 33 ? 46.861 15.785 -4.352 1.0 56.81 ? 33 GLY A CA 1 P00221 UNP 33 G +ATOM 227 C C . GLY A 1 33 ? 46.065 15.890 -3.048 1.0 56.81 ? 33 GLY A C 1 P00221 UNP 33 G +ATOM 228 O O . GLY A 1 33 ? 44.940 16.353 -3.052 1.0 56.81 ? 33 GLY A O 1 P00221 UNP 33 G +ATOM 229 N N . ARG A 1 34 ? 46.548 15.344 -1.926 1.0 51.39 ? 34 ARG A N 1 P00221 UNP 34 R +ATOM 230 C CA . ARG A 1 34 ? 47.347 16.091 -0.932 1.0 51.39 ? 34 ARG A CA 1 P00221 UNP 34 R +ATOM 231 C C . ARG A 1 34 ? 46.556 17.221 -0.246 1.0 51.39 ? 34 ARG A C 1 P00221 UNP 34 R +ATOM 232 C CB . ARG A 1 34 ? 48.669 16.563 -1.577 1.0 51.39 ? 34 ARG A CB 1 P00221 UNP 34 R +ATOM 233 O O . ARG A 1 34 ? 46.625 18.359 -0.678 1.0 51.39 ? 34 ARG A O 1 P00221 UNP 34 R +ATOM 234 C CG . ARG A 1 34 ? 49.687 17.235 -0.641 1.0 51.39 ? 34 ARG A CG 1 P00221 UNP 34 R +ATOM 235 C CD . ARG A 1 34 ? 51.028 17.363 -1.388 1.0 51.39 ? 34 ARG A CD 1 P00221 UNP 34 R +ATOM 236 N NE . ARG A 1 34 ? 51.769 18.586 -1.017 1.0 51.39 ? 34 ARG A NE 1 P00221 UNP 34 R +ATOM 237 N NH1 . ARG A 1 34 ? 52.138 19.415 -3.144 1.0 51.39 ? 34 ARG A NH1 1 P00221 UNP 34 R +ATOM 238 N NH2 . ARG A 1 34 ? 52.886 20.539 -1.376 1.0 51.39 ? 34 ARG A NH2 1 P00221 UNP 34 R +ATOM 239 C CZ . ARG A 1 34 ? 52.256 19.499 -1.846 1.0 51.39 ? 34 ARG A CZ 1 P00221 UNP 34 R +ATOM 240 N N . SER A 1 35 ? 45.935 16.919 0.896 1.0 52.75 ? 35 SER A N 1 P00221 UNP 35 S +ATOM 241 C CA . SER A 1 35 ? 46.165 17.685 2.132 1.0 52.75 ? 35 SER A CA 1 P00221 UNP 35 S +ATOM 242 C C . SER A 1 35 ? 45.643 16.922 3.348 1.0 52.75 ? 35 SER A C 1 P00221 UNP 35 S +ATOM 243 C CB . SER A 1 35 ? 45.559 19.093 2.142 1.0 52.75 ? 35 SER A CB 1 P00221 UNP 35 S +ATOM 244 O O . SER A 1 35 ? 44.482 16.532 3.418 1.0 52.75 ? 35 SER A O 1 P00221 UNP 35 S +ATOM 245 O OG . SER A 1 35 ? 46.184 19.813 3.193 1.0 52.75 ? 35 SER A OG 1 P00221 UNP 35 S +ATOM 246 N N . LEU A 1 36 ? 46.551 16.717 4.298 1.0 54.39 ? 36 LEU A N 1 P00221 UNP 36 L +ATOM 247 C CA . LEU A 1 36 ? 46.304 16.287 5.668 1.0 54.39 ? 36 LEU A CA 1 P00221 UNP 36 L +ATOM 248 C C . LEU A 1 36 ? 45.699 17.458 6.468 1.0 54.39 ? 36 LEU A C 1 P00221 UNP 36 L +ATOM 249 C CB . LEU A 1 36 ? 47.669 15.857 6.250 1.0 54.39 ? 36 LEU A CB 1 P00221 UNP 36 L +ATOM 250 O O . LEU A 1 36 ? 45.882 18.612 6.085 1.0 54.39 ? 36 LEU A O 1 P00221 UNP 36 L +ATOM 251 C CG . LEU A 1 36 ? 48.251 14.564 5.636 1.0 54.39 ? 36 LEU A CG 1 P00221 UNP 36 L +ATOM 252 C CD1 . LEU A 1 36 ? 49.779 14.610 5.598 1.0 54.39 ? 36 LEU A CD1 1 P00221 UNP 36 L +ATOM 253 C CD2 . LEU A 1 36 ? 47.826 13.347 6.457 1.0 54.39 ? 36 LEU A CD2 1 P00221 UNP 36 L +ATOM 254 N N . PHE A 1 37 ? 45.088 17.134 7.612 1.0 44.45 ? 37 PHE A N 1 P00221 UNP 37 F +ATOM 255 C CA . PHE A 1 37 ? 44.546 18.027 8.653 1.0 44.45 ? 37 PHE A CA 1 P00221 UNP 37 F +ATOM 256 C C . PHE A 1 37 ? 43.172 18.655 8.386 1.0 44.45 ? 37 PHE A C 1 P00221 UNP 37 F +ATOM 257 C CB . PHE A 1 37 ? 45.574 19.069 9.126 1.0 44.45 ? 37 PHE A CB 1 P00221 UNP 37 F +ATOM 258 O O . PHE A 1 37 ? 43.037 19.649 7.684 1.0 44.45 ? 37 PHE A O 1 P00221 UNP 37 F +ATOM 259 C CG . PHE A 1 37 ? 46.672 18.475 9.975 1.0 44.45 ? 37 PHE A CG 1 P00221 UNP 37 F +ATOM 260 C CD1 . PHE A 1 37 ? 46.537 18.487 11.374 1.0 44.45 ? 37 PHE A CD1 1 P00221 UNP 37 F +ATOM 261 C CD2 . PHE A 1 37 ? 47.807 17.891 9.383 1.0 44.45 ? 37 PHE A CD2 1 P00221 UNP 37 F +ATOM 262 C CE1 . PHE A 1 37 ? 47.529 17.909 12.182 1.0 44.45 ? 37 PHE A CE1 1 P00221 UNP 37 F +ATOM 263 C CE2 . PHE A 1 37 ? 48.793 17.299 10.191 1.0 44.45 ? 37 PHE A CE2 1 P00221 UNP 37 F +ATOM 264 C CZ . PHE A 1 37 ? 48.654 17.310 11.590 1.0 44.45 ? 37 PHE A CZ 1 P00221 UNP 37 F +ATOM 265 N N . GLY A 1 38 ? 42.148 18.114 9.055 1.0 51.45 ? 38 GLY A N 1 P00221 UNP 38 G +ATOM 266 C CA . GLY A 1 38 ? 40.809 18.702 9.051 1.0 51.45 ? 38 GLY A CA 1 P00221 UNP 38 G +ATOM 267 C C . GLY A 1 38 ? 39.759 17.914 9.827 1.0 51.45 ? 38 GLY A C 1 P00221 UNP 38 G +ATOM 268 O O . GLY A 1 38 ? 38.642 17.756 9.355 1.0 51.45 ? 38 GLY A O 1 P00221 UNP 38 G +ATOM 269 N N . LEU A 1 39 ? 40.101 17.397 11.010 1.0 53.14 ? 39 LEU A N 1 P00221 UNP 39 L +ATOM 270 C CA . LEU A 1 39 ? 39.106 16.944 11.979 1.0 53.14 ? 39 LEU A CA 1 P00221 UNP 39 L +ATOM 271 C C . LEU A 1 39 ? 38.278 18.162 12.408 1.0 53.14 ? 39 LEU A C 1 P00221 UNP 39 L +ATOM 272 C CB . LEU A 1 39 ? 39.855 16.323 13.184 1.0 53.14 ? 39 LEU A CB 1 P00221 UNP 39 L +ATOM 273 O O . LEU A 1 39 ? 38.760 18.950 13.219 1.0 53.14 ? 39 LEU A O 1 P00221 UNP 39 L +ATOM 274 C CG . LEU A 1 39 ? 38.945 15.700 14.261 1.0 53.14 ? 39 LEU A CG 1 P00221 UNP 39 L +ATOM 275 C CD1 . LEU A 1 39 ? 38.463 14.317 13.825 1.0 53.14 ? 39 LEU A CD1 1 P00221 UNP 39 L +ATOM 276 C CD2 . LEU A 1 39 ? 39.703 15.548 15.581 1.0 53.14 ? 39 LEU A CD2 1 P00221 UNP 39 L +ATOM 277 N N . LYS A 1 40 ? 37.055 18.331 11.893 1.0 55.15 ? 40 LYS A N 1 P00221 UNP 40 K +ATOM 278 C CA . LYS A 1 40 ? 36.002 19.040 12.632 1.0 55.15 ? 40 LYS A CA 1 P00221 UNP 40 K +ATOM 279 C C . LYS A 1 40 ? 34.601 18.850 12.045 1.0 55.15 ? 40 LYS A C 1 P00221 UNP 40 K +ATOM 280 C CB . LYS A 1 40 ? 36.336 20.541 12.825 1.0 55.15 ? 40 LYS A CB 1 P00221 UNP 40 K +ATOM 281 O O . LYS A 1 40 ? 34.255 19.392 11.007 1.0 55.15 ? 40 LYS A O 1 P00221 UNP 40 K +ATOM 282 C CG . LYS A 1 40 ? 36.486 20.839 14.329 1.0 55.15 ? 40 LYS A CG 1 P00221 UNP 40 K +ATOM 283 C CD . LYS A 1 40 ? 36.888 22.288 14.604 1.0 55.15 ? 40 LYS A CD 1 P00221 UNP 40 K +ATOM 284 C CE . LYS A 1 40 ? 37.055 22.473 16.118 1.0 55.15 ? 40 LYS A CE 1 P00221 UNP 40 K +ATOM 285 N NZ . LYS A 1 40 ? 36.893 23.892 16.514 1.0 55.15 ? 40 LYS A NZ 1 P00221 UNP 40 K +ATOM 286 N N . THR A 1 41 ? 33.795 18.171 12.861 1.0 41.56 ? 41 THR A N 1 P00221 UNP 41 T +ATOM 287 C CA . THR A 1 41 ? 32.403 18.503 13.207 1.0 41.56 ? 41 THR A CA 1 P00221 UNP 41 T +ATOM 288 C C . THR A 1 41 ? 31.346 18.529 12.107 1.0 41.56 ? 41 THR A C 1 P00221 UNP 41 T +ATOM 289 C CB . THR A 1 41 ? 32.314 19.804 14.033 1.0 41.56 ? 41 THR A CB 1 P00221 UNP 41 T +ATOM 290 O O . THR A 1 41 ? 31.192 19.512 11.393 1.0 41.56 ? 41 THR A O 1 P00221 UNP 41 T +ATOM 291 C CG2 . THR A 1 41 ? 32.717 19.566 15.486 1.0 41.56 ? 41 THR A CG2 1 P00221 UNP 41 T +ATOM 292 O OG1 . THR A 1 41 ? 33.159 20.815 13.533 1.0 41.56 ? 41 THR A OG1 1 P00221 UNP 41 T +ATOM 293 N N . GLY A 1 42 ? 30.462 17.530 12.182 1.0 47.00 ? 42 GLY A N 1 P00221 UNP 42 G +ATOM 294 C CA . GLY A 1 42 ? 29.032 17.754 11.987 1.0 47.00 ? 42 GLY A CA 1 P00221 UNP 42 G +ATOM 295 C C . GLY A 1 42 ? 28.445 17.043 10.783 1.0 47.00 ? 42 GLY A C 1 P00221 UNP 42 G +ATOM 296 O O . GLY A 1 42 ? 28.078 17.695 9.811 1.0 47.00 ? 42 GLY A O 1 P00221 UNP 42 G +ATOM 297 N N . SER A 1 43 ? 28.259 15.725 10.890 1.0 57.62 ? 43 SER A N 1 P00221 UNP 43 S +ATOM 298 C CA . SER A 1 43 ? 27.234 15.042 10.101 1.0 57.62 ? 43 SER A CA 1 P00221 UNP 43 S +ATOM 299 C C . SER A 1 43 ? 25.874 15.578 10.557 1.0 57.62 ? 43 SER A C 1 P00221 UNP 43 S +ATOM 300 C CB . SER A 1 43 ? 27.340 13.519 10.262 1.0 57.62 ? 43 SER A CB 1 P00221 UNP 43 S +ATOM 301 O O . SER A 1 43 ? 25.264 15.073 11.497 1.0 57.62 ? 43 SER A O 1 P00221 UNP 43 S +ATOM 302 O OG . SER A 1 43 ? 26.536 12.901 9.284 1.0 57.62 ? 43 SER A OG 1 P00221 UNP 43 S +ATOM 303 N N . ARG A 1 44 ? 25.433 16.692 9.964 1.0 48.74 ? 44 ARG A N 1 P00221 UNP 44 R +ATOM 304 C CA . ARG A 1 44 ? 24.026 17.087 9.983 1.0 48.74 ? 44 ARG A CA 1 P00221 UNP 44 R +ATOM 305 C C . ARG A 1 44 ? 23.314 16.088 9.082 1.0 48.74 ? 44 ARG A C 1 P00221 UNP 44 R +ATOM 306 C CB . ARG A 1 44 ? 23.838 18.537 9.498 1.0 48.74 ? 44 ARG A CB 1 P00221 UNP 44 R +ATOM 307 O O . ARG A 1 44 ? 23.161 16.338 7.893 1.0 48.74 ? 44 ARG A O 1 P00221 UNP 44 R +ATOM 308 C CG . ARG A 1 44 ? 24.181 19.584 10.566 1.0 48.74 ? 44 ARG A CG 1 P00221 UNP 44 R +ATOM 309 C CD . ARG A 1 44 ? 23.943 20.990 10.000 1.0 48.74 ? 44 ARG A CD 1 P00221 UNP 44 R +ATOM 310 N NE . ARG A 1 44 ? 24.103 22.036 11.031 1.0 48.74 ? 44 ARG A NE 1 P00221 UNP 44 R +ATOM 311 N NH1 . ARG A 1 44 ? 24.420 23.811 9.606 1.0 48.74 ? 44 ARG A NH1 1 P00221 UNP 44 R +ATOM 312 N NH2 . ARG A 1 44 ? 24.371 24.163 11.808 1.0 48.74 ? 44 ARG A NH2 1 P00221 UNP 44 R +ATOM 313 C CZ . ARG A 1 44 ? 24.298 23.326 10.811 1.0 48.74 ? 44 ARG A CZ 1 P00221 UNP 44 R +ATOM 314 N N . GLY A 1 45 ? 22.942 14.941 9.651 1.0 54.92 ? 45 GLY A N 1 P00221 UNP 45 G +ATOM 315 C CA . GLY A 1 45 ? 21.943 14.067 9.052 1.0 54.92 ? 45 GLY A CA 1 P00221 UNP 45 G +ATOM 316 C C . GLY A 1 45 ? 20.707 14.916 8.788 1.0 54.92 ? 45 GLY A C 1 P00221 UNP 45 G +ATOM 317 O O . GLY A 1 45 ? 20.055 15.372 9.729 1.0 54.92 ? 45 GLY A O 1 P00221 UNP 45 G +ATOM 318 N N . GLY A 1 46 ? 20.470 15.234 7.517 1.0 56.22 ? 46 GLY A N 1 P00221 UNP 46 G +ATOM 319 C CA . GLY A 1 46 ? 19.290 15.960 7.089 1.0 56.22 ? 46 GLY A CA 1 P00221 UNP 46 G +ATOM 320 C C . GLY A 1 46 ? 18.082 15.105 7.425 1.0 56.22 ? 46 GLY A C 1 P00221 UNP 46 G +ATOM 321 O O . GLY A 1 46 ? 17.857 14.083 6.789 1.0 56.22 ? 46 GLY A O 1 P00221 UNP 46 G +ATOM 322 N N . ARG A 1 47 ? 17.340 15.497 8.460 1.0 59.12 ? 47 ARG A N 1 P00221 UNP 47 R +ATOM 323 C CA . ARG A 1 47 ? 15.985 15.004 8.686 1.0 59.12 ? 47 ARG A CA 1 P00221 UNP 47 R +ATOM 324 C C . ARG A 1 47 ? 15.154 15.527 7.518 1.0 59.12 ? 47 ARG A C 1 P00221 UNP 47 R +ATOM 325 C CB . ARG A 1 47 ? 15.463 15.511 10.043 1.0 59.12 ? 47 ARG A CB 1 P00221 UNP 47 R +ATOM 326 O O . ARG A 1 47 ? 14.759 16.689 7.545 1.0 59.12 ? 47 ARG A O 1 P00221 UNP 47 R +ATOM 327 C CG . ARG A 1 47 ? 16.134 14.809 11.232 1.0 59.12 ? 47 ARG A CG 1 P00221 UNP 47 R +ATOM 328 C CD . ARG A 1 47 ? 15.638 15.409 12.554 1.0 59.12 ? 47 ARG A CD 1 P00221 UNP 47 R +ATOM 329 N NE . ARG A 1 47 ? 15.842 14.475 13.678 1.0 59.12 ? 47 ARG A NE 1 P00221 UNP 47 R +ATOM 330 N NH1 . ARG A 1 47 ? 15.577 15.970 15.401 1.0 59.12 ? 47 ARG A NH1 1 P00221 UNP 47 R +ATOM 331 N NH2 . ARG A 1 47 ? 15.792 13.792 15.848 1.0 59.12 ? 47 ARG A NH2 1 P00221 UNP 47 R +ATOM 332 C CZ . ARG A 1 47 ? 15.742 14.751 14.966 1.0 59.12 ? 47 ARG A CZ 1 P00221 UNP 47 R +ATOM 333 N N . MET A 1 48 ? 14.995 14.716 6.472 1.0 61.00 ? 48 MET A N 1 P00221 UNP 48 M +ATOM 334 C CA . MET A 1 48 ? 13.955 14.929 5.468 1.0 61.00 ? 48 MET A CA 1 P00221 UNP 48 M +ATOM 335 C C . MET A 1 48 ? 12.645 14.935 6.259 1.0 61.00 ? 48 MET A C 1 P00221 UNP 48 M +ATOM 336 C CB . MET A 1 48 ? 13.972 13.794 4.424 1.0 61.00 ? 48 MET A CB 1 P00221 UNP 48 M +ATOM 337 O O . MET A 1 48 ? 12.292 13.938 6.883 1.0 61.00 ? 48 MET A O 1 P00221 UNP 48 M +ATOM 338 C CG . MET A 1 48 ? 15.235 13.736 3.546 1.0 61.00 ? 48 MET A CG 1 P00221 UNP 48 M +ATOM 339 S SD . MET A 1 48 ? 15.199 14.753 2.043 1.0 61.00 ? 48 MET A SD 1 P00221 UNP 48 M +ATOM 340 C CE . MET A 1 48 ? 16.717 14.196 1.226 1.0 61.00 ? 48 MET A CE 1 P00221 UNP 48 M +ATOM 341 N N . THR A 1 49 ? 12.020 16.099 6.400 1.0 59.24 ? 49 THR A N 1 P00221 UNP 49 T +ATOM 342 C CA . THR A 1 49 ? 10.679 16.179 6.974 1.0 59.24 ? 49 THR A CA 1 P00221 UNP 49 T +ATOM 343 C C . THR A 1 49 ? 9.741 15.592 5.931 1.0 59.24 ? 49 THR A C 1 P00221 UNP 49 T +ATOM 344 C CB . THR A 1 49 ? 10.298 17.632 7.300 1.0 59.24 ? 49 THR A CB 1 P00221 UNP 49 T +ATOM 345 O O . THR A 1 49 ? 9.546 16.231 4.899 1.0 59.24 ? 49 THR A O 1 P00221 UNP 49 T +ATOM 346 C CG2 . THR A 1 49 ? 11.093 18.174 8.491 1.0 59.24 ? 49 THR A CG2 1 P00221 UNP 49 T +ATOM 347 O OG1 . THR A 1 49 ? 10.578 18.472 6.202 1.0 59.24 ? 49 THR A OG1 1 P00221 UNP 49 T +ATOM 348 N N . MET A 1 50 ? 9.240 14.383 6.175 1.0 79.45 ? 50 MET A N 1 P00221 UNP 50 M +ATOM 349 C CA . MET A 1 50 ? 8.248 13.734 5.314 1.0 79.45 ? 50 MET A CA 1 P00221 UNP 50 M +ATOM 350 C C . MET A 1 50 ? 6.986 14.593 5.291 1.0 79.45 ? 50 MET A C 1 P00221 UNP 50 M +ATOM 351 C CB . MET A 1 50 ? 7.968 12.300 5.803 1.0 79.45 ? 50 MET A CB 1 P00221 UNP 50 M +ATOM 352 O O . MET A 1 50 ? 6.570 15.102 6.342 1.0 79.45 ? 50 MET A O 1 P00221 UNP 50 M +ATOM 353 C CG . MET A 1 50 ? 9.249 11.454 5.922 1.0 79.45 ? 50 MET A CG 1 P00221 UNP 50 M +ATOM 354 S SD . MET A 1 50 ? 10.398 11.565 4.519 1.0 79.45 ? 50 MET A SD 1 P00221 UNP 50 M +ATOM 355 C CE . MET A 1 50 ? 9.469 10.566 3.342 1.0 79.45 ? 50 MET A CE 1 P00221 UNP 50 M +ATOM 356 N N . ALA A 1 51 ? 6.433 14.841 4.104 1.0 91.56 ? 51 ALA A N 1 P00221 UNP 51 A +ATOM 357 C CA . ALA A 1 51 ? 5.160 15.536 4.012 1.0 91.56 ? 51 ALA A CA 1 P00221 UNP 51 A +ATOM 358 C C . ALA A 1 51 ? 4.064 14.578 4.487 1.0 91.56 ? 51 ALA A C 1 P00221 UNP 51 A +ATOM 359 C CB . ALA A 1 51 ? 4.934 16.057 2.588 1.0 91.56 ? 51 ALA A CB 1 P00221 UNP 51 A +ATOM 360 O O . ALA A 1 51 ? 4.138 13.378 4.254 1.0 91.56 ? 51 ALA A O 1 P00221 UNP 51 A +ATOM 361 N N . ALA A 1 52 ? 3.057 15.098 5.181 1.0 95.10 ? 52 ALA A N 1 P00221 UNP 52 A +ATOM 362 C CA . ALA A 1 52 ? 1.871 14.329 5.528 1.0 95.10 ? 52 ALA A CA 1 P00221 UNP 52 A +ATOM 363 C C . ALA A 1 52 ? 0.669 14.971 4.846 1.0 95.10 ? 52 ALA A C 1 P00221 UNP 52 A +ATOM 364 C CB . ALA A 1 52 ? 1.720 14.232 7.050 1.0 95.10 ? 52 ALA A CB 1 P00221 UNP 52 A +ATOM 365 O O . ALA A 1 52 ? 0.546 16.202 4.833 1.0 95.10 ? 52 ALA A O 1 P00221 UNP 52 A +ATOM 366 N N . TYR A 1 53 ? -0.188 14.132 4.283 1.0 97.39 ? 53 TYR A N 1 P00221 UNP 53 Y +ATOM 367 C CA . TYR A 1 53 ? -1.379 14.542 3.561 1.0 97.39 ? 53 TYR A CA 1 P00221 UNP 53 Y +ATOM 368 C C . TYR A 1 53 ? -2.631 14.015 4.246 1.0 97.39 ? 53 TYR A C 1 P00221 UNP 53 Y +ATOM 369 C CB . TYR A 1 53 ? -1.295 14.063 2.112 1.0 97.39 ? 53 TYR A CB 1 P00221 UNP 53 Y +ATOM 370 O O . TYR A 1 53 ? -2.649 12.923 4.824 1.0 97.39 ? 53 TYR A O 1 P00221 UNP 53 Y +ATOM 371 C CG . TYR A 1 53 ? -0.123 14.633 1.337 1.0 97.39 ? 53 TYR A CG 1 P00221 UNP 53 Y +ATOM 372 C CD1 . TYR A 1 53 ? -0.064 16.014 1.061 1.0 97.39 ? 53 TYR A CD1 1 P00221 UNP 53 Y +ATOM 373 C CD2 . TYR A 1 53 ? 0.915 13.789 0.904 1.0 97.39 ? 53 TYR A CD2 1 P00221 UNP 53 Y +ATOM 374 C CE1 . TYR A 1 53 ? 1.043 16.549 0.370 1.0 97.39 ? 53 TYR A CE1 1 P00221 UNP 53 Y +ATOM 375 C CE2 . TYR A 1 53 ? 2.005 14.315 0.189 1.0 97.39 ? 53 TYR A CE2 1 P00221 UNP 53 Y +ATOM 376 O OH . TYR A 1 53 ? 3.177 16.206 -0.686 1.0 97.39 ? 53 TYR A OH 1 P00221 UNP 53 Y +ATOM 377 C CZ . TYR A 1 53 ? 2.085 15.698 -0.057 1.0 97.39 ? 53 TYR A CZ 1 P00221 UNP 53 Y +ATOM 378 N N . LYS A 1 54 ? -3.713 14.787 4.142 1.0 97.92 ? 54 LYS A N 1 P00221 UNP 54 K +ATOM 379 C CA . LYS A 1 54 ? -5.016 14.377 4.650 1.0 97.92 ? 54 LYS A CA 1 P00221 UNP 54 K +ATOM 380 C C . LYS A 1 54 ? -5.618 13.329 3.715 1.0 97.92 ? 54 LYS A C 1 P00221 UNP 54 K +ATOM 381 C CB . LYS A 1 54 ? -5.909 15.611 4.825 1.0 97.92 ? 54 LYS A CB 1 P00221 UNP 54 K +ATOM 382 O O . LYS A 1 54 ? -5.936 13.620 2.562 1.0 97.92 ? 54 LYS A O 1 P00221 UNP 54 K +ATOM 383 C CG . LYS A 1 54 ? -7.288 15.203 5.350 1.0 97.92 ? 54 LYS A CG 1 P00221 UNP 54 K +ATOM 384 C CD . LYS A 1 54 ? -8.208 16.406 5.570 1.0 97.92 ? 54 LYS A CD 1 P00221 UNP 54 K +ATOM 385 C CE . LYS A 1 54 ? -9.594 15.814 5.820 1.0 97.92 ? 54 LYS A CE 1 P00221 UNP 54 K +ATOM 386 N NZ . LYS A 1 54 ? -10.628 16.809 6.166 1.0 97.92 ? 54 LYS A NZ 1 P00221 UNP 54 K +ATOM 387 N N . VAL A 1 55 ? -5.860 12.135 4.243 1.0 98.15 ? 55 VAL A N 1 P00221 UNP 55 V +ATOM 388 C CA . VAL A 1 55 ? -6.557 11.056 3.540 1.0 98.15 ? 55 VAL A CA 1 P00221 UNP 55 V +ATOM 389 C C . VAL A 1 55 ? -7.974 10.942 4.088 1.0 98.15 ? 55 VAL A C 1 P00221 UNP 55 V +ATOM 390 C CB . VAL A 1 55 ? -5.793 9.728 3.658 1.0 98.15 ? 55 VAL A CB 1 P00221 UNP 55 V +ATOM 391 O O . VAL A 1 55 ? -8.179 10.772 5.287 1.0 98.15 ? 55 VAL A O 1 P00221 UNP 55 V +ATOM 392 C CG1 . VAL A 1 55 ? -6.529 8.611 2.905 1.0 98.15 ? 55 VAL A CG1 1 P00221 UNP 55 V +ATOM 393 C CG2 . VAL A 1 55 ? -4.379 9.849 3.078 1.0 98.15 ? 55 VAL A CG2 1 P00221 UNP 55 V +ATOM 394 N N . THR A 1 56 ? -8.963 11.042 3.201 1.0 98.06 ? 56 THR A N 1 P00221 UNP 56 T +ATOM 395 C CA . THR A 1 56 ? -10.382 10.840 3.522 1.0 98.06 ? 56 THR A CA 1 P00221 UNP 56 T +ATOM 396 C C . THR A 1 56 ? -10.857 9.534 2.899 1.0 98.06 ? 56 THR A C 1 P00221 UNP 56 T +ATOM 397 C CB . THR A 1 56 ? -11.229 12.021 3.029 1.0 98.06 ? 56 THR A CB 1 P00221 UNP 56 T +ATOM 398 O O . THR A 1 56 ? -10.897 9.411 1.675 1.0 98.06 ? 56 THR A O 1 P00221 UNP 56 T +ATOM 399 C CG2 . THR A 1 56 ? -12.694 11.910 3.457 1.0 98.06 ? 56 THR A CG2 1 P00221 UNP 56 T +ATOM 400 O OG1 . THR A 1 56 ? -10.691 13.223 3.538 1.0 98.06 ? 56 THR A OG1 1 P00221 UNP 56 T +ATOM 401 N N . LEU A 1 57 ? -11.231 8.556 3.721 1.0 97.93 ? 57 LEU A N 1 P00221 UNP 57 L +ATOM 402 C CA . LEU A 1 57 ? -11.762 7.276 3.261 1.0 97.93 ? 57 LEU A CA 1 P00221 UNP 57 L +ATOM 403 C C . LEU A 1 57 ? -13.282 7.270 3.401 1.0 97.93 ? 57 LEU A C 1 P00221 UNP 57 L +ATOM 404 C CB . LEU A 1 57 ? -11.137 6.102 4.023 1.0 97.93 ? 57 LEU A CB 1 P00221 UNP 57 L +ATOM 405 O O . LEU A 1 57 ? -13.824 7.414 4.498 1.0 97.93 ? 57 LEU A O 1 P00221 UNP 57 L +ATOM 406 C CG . LEU A 1 57 ? -9.604 6.057 4.017 1.0 97.93 ? 57 LEU A CG 1 P00221 UNP 57 L +ATOM 407 C CD1 . LEU A 1 57 ? -9.154 4.961 4.979 1.0 97.93 ? 57 LEU A CD1 1 P00221 UNP 57 L +ATOM 408 C CD2 . LEU A 1 57 ? -9.026 5.793 2.628 1.0 97.93 ? 57 LEU A CD2 1 P00221 UNP 57 L +ATOM 409 N N . VAL A 1 58 ? -13.974 7.069 2.286 1.0 97.35 ? 58 VAL A N 1 P00221 UNP 58 V +ATOM 410 C CA . VAL A 1 58 ? -15.422 6.854 2.250 1.0 97.35 ? 58 VAL A CA 1 P00221 UNP 58 V +ATOM 411 C C . VAL A 1 58 ? -15.656 5.351 2.371 1.0 97.35 ? 58 VAL A C 1 P00221 UNP 58 V +ATOM 412 C CB . VAL A 1 58 ? -16.030 7.460 0.973 1.0 97.35 ? 58 VAL A CB 1 P00221 UNP 58 V +ATOM 413 O O . VAL A 1 58 ? -15.510 4.614 1.396 1.0 97.35 ? 58 VAL A O 1 P00221 UNP 58 V +ATOM 414 C CG1 . VAL A 1 58 ? -17.543 7.222 0.892 1.0 97.35 ? 58 VAL A CG1 1 P00221 UNP 58 V +ATOM 415 C CG2 . VAL A 1 58 ? -15.764 8.969 0.880 1.0 97.35 ? 58 VAL A CG2 1 P00221 UNP 58 V +ATOM 416 N N . THR A 1 59 ? -15.952 4.893 3.589 1.0 95.76 ? 59 THR A N 1 P00221 UNP 59 T +ATOM 417 C CA . THR A 1 59 ? -16.236 3.481 3.891 1.0 95.76 ? 59 THR A CA 1 P00221 UNP 59 T +ATOM 418 C C . THR A 1 59 ? -17.751 3.230 3.931 1.0 95.76 ? 59 THR A C 1 P00221 UNP 59 T +ATOM 419 C CB . THR A 1 59 ? -15.582 3.017 5.210 1.0 95.76 ? 59 THR A CB 1 P00221 UNP 59 T +ATOM 420 O O . THR A 1 59 ? -18.518 4.176 4.129 1.0 95.76 ? 59 THR A O 1 P00221 UNP 59 T +ATOM 421 C CG2 . THR A 1 59 ? -14.139 3.486 5.406 1.0 95.76 ? 59 THR A CG2 1 P00221 UNP 59 T +ATOM 422 O OG1 . THR A 1 59 ? -16.328 3.444 6.325 1.0 95.76 ? 59 THR A OG1 1 P00221 UNP 59 T +ATOM 423 N N . PRO A 1 60 ? -18.223 1.973 3.824 1.0 93.95 ? 60 PRO A N 1 P00221 UNP 60 P +ATOM 424 C CA . PRO A 1 60 ? -19.646 1.644 3.973 1.0 93.95 ? 60 PRO A CA 1 P00221 UNP 60 P +ATOM 425 C C . PRO A 1 60 ? -20.249 2.051 5.329 1.0 93.95 ? 60 PRO A C 1 P00221 UNP 60 P +ATOM 426 C CB . PRO A 1 60 ? -19.727 0.125 3.778 1.0 93.95 ? 60 PRO A CB 1 P00221 UNP 60 P +ATOM 427 O O . PRO A 1 60 ? -21.447 2.308 5.424 1.0 93.95 ? 60 PRO A O 1 P00221 UNP 60 P +ATOM 428 C CG . PRO A 1 60 ? -18.502 -0.202 2.926 1.0 93.95 ? 60 PRO A CG 1 P00221 UNP 60 P +ATOM 429 C CD . PRO A 1 60 ? -17.465 0.794 3.430 1.0 93.95 ? 60 PRO A CD 1 P00221 UNP 60 P +ATOM 430 N N . THR A 1 61 ? -19.423 2.125 6.377 1.0 93.58 ? 61 THR A N 1 P00221 UNP 61 T +ATOM 431 C CA . THR A 1 61 ? -19.835 2.493 7.744 1.0 93.58 ? 61 THR A CA 1 P00221 UNP 61 T +ATOM 432 C C . THR A 1 61 ? -19.868 4.013 7.954 1.0 93.58 ? 61 THR A C 1 P00221 UNP 61 T +ATOM 433 C CB . THR A 1 61 ? -18.892 1.824 8.760 1.0 93.58 ? 61 THR A CB 1 P00221 UNP 61 T +ATOM 434 O O . THR A 1 61 ? -20.513 4.499 8.884 1.0 93.58 ? 61 THR A O 1 P00221 UNP 61 T +ATOM 435 C CG2 . THR A 1 61 ? -19.376 1.916 10.208 1.0 93.58 ? 61 THR A CG2 1 P00221 UNP 61 T +ATOM 436 O OG1 . THR A 1 61 ? -18.794 0.446 8.473 1.0 93.58 ? 61 THR A OG1 1 P00221 UNP 61 T +ATOM 437 N N . GLY A 1 62 ? -19.193 4.778 7.094 1.0 94.71 ? 62 GLY A N 1 P00221 UNP 62 G +ATOM 438 C CA . GLY A 1 62 ? -19.093 6.232 7.173 1.0 94.71 ? 62 GLY A CA 1 P00221 UNP 62 G +ATOM 439 C C . GLY A 1 62 ? -17.763 6.772 6.649 1.0 94.71 ? 62 GLY A C 1 P00221 UNP 62 G +ATOM 440 O O . GLY A 1 62 ? -16.882 6.026 6.217 1.0 94.71 ? 62 GLY A O 1 P00221 UNP 62 G +ATOM 441 N N . ASN A 1 63 ? -17.609 8.092 6.708 1.0 96.32 ? 63 ASN A N 1 P00221 UNP 63 N +ATOM 442 C CA . ASN A 1 63 ? -16.379 8.757 6.288 1.0 96.32 ? 63 ASN A CA 1 P00221 UNP 63 N +ATOM 443 C C . ASN A 1 63 ? -15.406 8.851 7.463 1.0 96.32 ? 63 ASN A C 1 P00221 UNP 63 N +ATOM 444 C CB . ASN A 1 63 ? -16.692 10.140 5.700 1.0 96.32 ? 63 ASN A CB 1 P00221 UNP 63 N +ATOM 445 O O . ASN A 1 63 ? -15.789 9.303 8.544 1.0 96.32 ? 63 ASN A O 1 P00221 UNP 63 N +ATOM 446 C CG . ASN A 1 63 ? -17.540 10.089 4.443 1.0 96.32 ? 63 ASN A CG 1 P00221 UNP 63 N +ATOM 447 N ND2 . ASN A 1 63 ? -17.931 11.230 3.930 1.0 96.32 ? 63 ASN A ND2 1 P00221 UNP 63 N +ATOM 448 O OD1 . ASN A 1 63 ? -17.876 9.053 3.900 1.0 96.32 ? 63 ASN A OD1 1 P00221 UNP 63 N +ATOM 449 N N . VAL A 1 64 ? -14.155 8.471 7.230 1.0 96.72 ? 64 VAL A N 1 P00221 UNP 64 V +ATOM 450 C CA . VAL A 1 64 ? -13.058 8.595 8.197 1.0 96.72 ? 64 VAL A CA 1 P00221 UNP 64 V +ATOM 451 C C . VAL A 1 64 ? -11.926 9.410 7.586 1.0 96.72 ? 64 VAL A C 1 P00221 UNP 64 V +ATOM 452 C CB . VAL A 1 64 ? -12.579 7.229 8.721 1.0 96.72 ? 64 VAL A CB 1 P00221 UNP 64 V +ATOM 453 O O . VAL A 1 64 ? -11.695 9.368 6.379 1.0 96.72 ? 64 VAL A O 1 P00221 UNP 64 V +ATOM 454 C CG1 . VAL A 1 64 ? -13.699 6.502 9.475 1.0 96.72 ? 64 VAL A CG1 1 P00221 UNP 64 V +ATOM 455 C CG2 . VAL A 1 64 ? -12.073 6.308 7.614 1.0 96.72 ? 64 VAL A CG2 1 P00221 UNP 64 V +ATOM 456 N N . GLU A 1 65 ? -11.240 10.184 8.417 1.0 97.27 ? 65 GLU A N 1 P00221 UNP 65 E +ATOM 457 C CA . GLU A 1 65 ? -10.158 11.069 7.996 1.0 97.27 ? 65 GLU A CA 1 P00221 UNP 65 E +ATOM 458 C C . GLU A 1 65 ? -8.942 10.836 8.885 1.0 97.27 ? 65 GLU A C 1 P00221 UNP 65 E +ATOM 459 C CB . GLU A 1 65 ? -10.580 12.544 8.087 1.0 97.27 ? 65 GLU A CB 1 P00221 UNP 65 E +ATOM 460 O O . GLU A 1 65 ? -9.082 10.760 10.105 1.0 97.27 ? 65 GLU A O 1 P00221 UNP 65 E +ATOM 461 C CG . GLU A 1 65 ? -11.793 12.919 7.220 1.0 97.27 ? 65 GLU A CG 1 P00221 UNP 65 E +ATOM 462 C CD . GLU A 1 65 ? -12.090 14.428 7.259 1.0 97.27 ? 65 GLU A CD 1 P00221 UNP 65 E +ATOM 463 O OE1 . GLU A 1 65 ? -12.737 14.962 6.328 1.0 97.27 ? 65 GLU A OE1 1 P00221 UNP 65 E +ATOM 464 O OE2 . GLU A 1 65 ? -11.555 15.162 8.124 1.0 97.27 ? 65 GLU A OE2 1 P00221 UNP 65 E +ATOM 465 N N . PHE A 1 66 ? -7.760 10.764 8.282 1.0 97.26 ? 66 PHE A N 1 P00221 UNP 66 F +ATOM 466 C CA . PHE A 1 66 ? -6.496 10.629 9.002 1.0 97.26 ? 66 PHE A CA 1 P00221 UNP 66 F +ATOM 467 C C . PHE A 1 66 ? -5.343 11.282 8.228 1.0 97.26 ? 66 PHE A C 1 P00221 UNP 66 F +ATOM 468 C CB . PHE A 1 66 ? -6.227 9.152 9.318 1.0 97.26 ? 66 PHE A CB 1 P00221 UNP 66 F +ATOM 469 O O . PHE A 1 66 ? -5.514 11.745 7.096 1.0 97.26 ? 66 PHE A O 1 P00221 UNP 66 F +ATOM 470 C CG . PHE A 1 66 ? -5.916 8.288 8.116 1.0 97.26 ? 66 PHE A CG 1 P00221 UNP 66 F +ATOM 471 C CD1 . PHE A 1 66 ? -6.950 7.869 7.260 1.0 97.26 ? 66 PHE A CD1 1 P00221 UNP 66 F +ATOM 472 C CD2 . PHE A 1 66 ? -4.589 7.912 7.842 1.0 97.26 ? 66 PHE A CD2 1 P00221 UNP 66 F +ATOM 473 C CE1 . PHE A 1 66 ? -6.648 7.086 6.138 1.0 97.26 ? 66 PHE A CE1 1 P00221 UNP 66 F +ATOM 474 C CE2 . PHE A 1 66 ? -4.301 7.123 6.719 1.0 97.26 ? 66 PHE A CE2 1 P00221 UNP 66 F +ATOM 475 C CZ . PHE A 1 66 ? -5.329 6.696 5.873 1.0 97.26 ? 66 PHE A CZ 1 P00221 UNP 66 F +ATOM 476 N N . GLN A 1 67 ? -4.179 11.379 8.868 1.0 97.06 ? 67 GLN A N 1 P00221 UNP 67 Q +ATOM 477 C CA . GLN A 1 67 ? -2.956 11.909 8.265 1.0 97.06 ? 67 GLN A CA 1 P00221 UNP 67 Q +ATOM 478 C C . GLN A 1 67 ? -2.069 10.753 7.812 1.0 97.06 ? 67 GLN A C 1 P00221 UNP 67 Q +ATOM 479 C CB . GLN A 1 67 ? -2.216 12.791 9.282 1.0 97.06 ? 67 GLN A CB 1 P00221 UNP 67 Q +ATOM 480 O O . GLN A 1 67 ? -1.722 9.900 8.621 1.0 97.06 ? 67 GLN A O 1 P00221 UNP 67 Q +ATOM 481 C CG . GLN A 1 67 ? -2.870 14.168 9.471 1.0 97.06 ? 67 GLN A CG 1 P00221 UNP 67 Q +ATOM 482 C CD . GLN A 1 67 ? -2.617 15.130 8.310 1.0 97.06 ? 67 GLN A CD 1 P00221 UNP 67 Q +ATOM 483 N NE2 . GLN A 1 67 ? -3.041 16.369 8.415 1.0 97.06 ? 67 GLN A NE2 1 P00221 UNP 67 Q +ATOM 484 O OE1 . GLN A 1 67 ? -2.023 14.822 7.296 1.0 97.06 ? 67 GLN A OE1 1 P00221 UNP 67 Q +ATOM 485 N N . CYS A 1 68 ? -1.678 10.750 6.541 1.0 96.89 ? 68 CYS A N 1 P00221 UNP 68 C +ATOM 486 C CA . CYS A 1 68 ? -0.785 9.744 5.979 1.0 96.89 ? 68 CYS A CA 1 P00221 UNP 68 C +ATOM 487 C C . CYS A 1 68 ? 0.507 10.417 5.495 1.0 96.89 ? 68 CYS A C 1 P00221 UNP 68 C +ATOM 488 C CB . CYS A 1 68 ? -1.514 9.024 4.848 1.0 96.89 ? 68 CYS A CB 1 P00221 UNP 68 C +ATOM 489 O O . CYS A 1 68 ? 0.426 11.353 4.691 1.0 96.89 ? 68 CYS A O 1 P00221 UNP 68 C +ATOM 490 S SG . CYS A 1 68 ? -0.529 7.626 4.233 1.0 96.89 ? 68 CYS A SG 1 P00221 UNP 68 C +ATOM 491 N N . PRO A 1 69 ? 1.686 9.979 5.966 1.0 96.13 ? 69 PRO A N 1 P00221 UNP 69 P +ATOM 492 C CA . PRO A 1 69 ? 2.965 10.376 5.385 1.0 96.13 ? 69 PRO A CA 1 P00221 UNP 69 P +ATOM 493 C C . PRO A 1 69 ? 3.059 10.022 3.894 1.0 96.13 ? 69 PRO A C 1 P00221 UNP 69 P +ATOM 494 C CB . PRO A 1 69 ? 4.031 9.646 6.202 1.0 96.13 ? 69 PRO A CB 1 P00221 UNP 69 P +ATOM 495 O O . PRO A 1 69 ? 2.423 9.075 3.431 1.0 96.13 ? 69 PRO A O 1 P00221 UNP 69 P +ATOM 496 C CG . PRO A 1 69 ? 3.341 9.355 7.533 1.0 96.13 ? 69 PRO A CG 1 P00221 UNP 69 P +ATOM 497 C CD . PRO A 1 69 ? 1.900 9.098 7.105 1.0 96.13 ? 69 PRO A CD 1 P00221 UNP 69 P +ATOM 498 N N . ASP A 1 70 ? 3.862 10.775 3.150 1.0 95.31 ? 70 ASP A N 1 P00221 UNP 70 D +ATOM 499 C CA . ASP A 1 70 ? 4.097 10.590 1.715 1.0 95.31 ? 70 ASP A CA 1 P00221 UNP 70 D +ATOM 500 C C . ASP A 1 70 ? 4.979 9.375 1.372 1.0 95.31 ? 70 ASP A C 1 P00221 UNP 70 D +ATOM 501 C CB . ASP A 1 70 ? 4.626 11.908 1.117 1.0 95.31 ? 70 ASP A CB 1 P00221 UNP 70 D +ATOM 502 O O . ASP A 1 70 ? 5.054 8.980 0.211 1.0 95.31 ? 70 ASP A O 1 P00221 UNP 70 D +ATOM 503 C CG . ASP A 1 70 ? 5.987 12.427 1.615 1.0 95.31 ? 70 ASP A CG 1 P00221 UNP 70 D +ATOM 504 O OD1 . ASP A 1 70 ? 6.517 11.955 2.643 1.0 95.31 ? 70 ASP A OD1 1 P00221 UNP 70 D +ATOM 505 O OD2 . ASP A 1 70 ? 6.474 13.421 1.023 1.0 95.31 ? 70 ASP A OD2 1 P00221 UNP 70 D +ATOM 506 N N . ASP A 1 71 ? 5.604 8.754 2.375 1.0 94.63 ? 71 ASP A N 1 P00221 UNP 71 D +ATOM 507 C CA . ASP A 1 71 ? 6.423 7.538 2.284 1.0 94.63 ? 71 ASP A CA 1 P00221 UNP 71 D +ATOM 508 C C . ASP A 1 71 ? 5.790 6.291 2.905 1.0 94.63 ? 71 ASP A C 1 P00221 UNP 71 D +ATOM 509 C CB . ASP A 1 71 ? 7.794 7.794 2.915 1.0 94.63 ? 71 ASP A CB 1 P00221 UNP 71 D +ATOM 510 O O . ASP A 1 71 ? 6.451 5.257 3.023 1.0 94.63 ? 71 ASP A O 1 P00221 UNP 71 D +ATOM 511 C CG . ASP A 1 71 ? 7.780 8.101 4.432 1.0 94.63 ? 71 ASP A CG 1 P00221 UNP 71 D +ATOM 512 O OD1 . ASP A 1 71 ? 6.756 8.595 4.958 1.0 94.63 ? 71 ASP A OD1 1 P00221 UNP 71 D +ATOM 513 O OD2 . ASP A 1 71 ? 8.850 7.917 5.064 1.0 94.63 ? 71 ASP A OD2 1 P00221 UNP 71 D +ATOM 514 N N . VAL A 1 72 ? 4.521 6.368 3.303 1.0 96.39 ? 72 VAL A N 1 P00221 UNP 72 V +ATOM 515 C CA . VAL A 1 72 ? 3.788 5.250 3.902 1.0 96.39 ? 72 VAL A CA 1 P00221 UNP 72 V +ATOM 516 C C . VAL A 1 72 ? 2.587 4.904 3.030 1.0 96.39 ? 72 VAL A C 1 P00221 UNP 72 V +ATOM 517 C CB . VAL A 1 72 ? 3.399 5.565 5.359 1.0 96.39 ? 72 VAL A CB 1 P00221 UNP 72 V +ATOM 518 O O . VAL A 1 72 ? 1.912 5.785 2.494 1.0 96.39 ? 72 VAL A O 1 P00221 UNP 72 V +ATOM 519 C CG1 . VAL A 1 72 ? 2.631 4.412 6.015 1.0 96.39 ? 72 VAL A CG1 1 P00221 UNP 72 V +ATOM 520 C CG2 . VAL A 1 72 ? 4.644 5.803 6.226 1.0 96.39 ? 72 VAL A CG2 1 P00221 UNP 72 V +ATOM 521 N N . TYR A 1 73 ? 2.308 3.608 2.885 1.0 97.16 ? 73 TYR A N 1 P00221 UNP 73 Y +ATOM 522 C CA . TYR A 1 73 ? 1.112 3.164 2.183 1.0 97.16 ? 73 TYR A CA 1 P00221 UNP 73 Y +ATOM 523 C C . TYR A 1 73 ? -0.148 3.576 2.939 1.0 97.16 ? 73 TYR A C 1 P00221 UNP 73 Y +ATOM 524 C CB . TYR A 1 73 ? 1.123 1.648 1.976 1.0 97.16 ? 73 TYR A CB 1 P00221 UNP 73 Y +ATOM 525 O O . TYR A 1 73 ? -0.243 3.427 4.158 1.0 97.16 ? 73 TYR A O 1 P00221 UNP 73 Y +ATOM 526 C CG . TYR A 1 73 ? 2.229 1.135 1.080 1.0 97.16 ? 73 TYR A CG 1 P00221 UNP 73 Y +ATOM 527 C CD1 . TYR A 1 73 ? 2.374 1.637 -0.229 1.0 97.16 ? 73 TYR A CD1 1 P00221 UNP 73 Y +ATOM 528 C CD2 . TYR A 1 73 ? 3.085 0.120 1.546 1.0 97.16 ? 73 TYR A CD2 1 P00221 UNP 73 Y +ATOM 529 C CE1 . TYR A 1 73 ? 3.349 1.092 -1.083 1.0 97.16 ? 73 TYR A CE1 1 P00221 UNP 73 Y +ATOM 530 C CE2 . TYR A 1 73 ? 4.086 -0.398 0.707 1.0 97.16 ? 73 TYR A CE2 1 P00221 UNP 73 Y +ATOM 531 O OH . TYR A 1 73 ? 5.159 -0.437 -1.427 1.0 97.16 ? 73 TYR A OH 1 P00221 UNP 73 Y +ATOM 532 C CZ . TYR A 1 73 ? 4.211 0.083 -0.611 1.0 97.16 ? 73 TYR A CZ 1 P00221 UNP 73 Y +ATOM 533 N N . ILE A 1 74 ? -1.162 4.016 2.196 1.0 97.32 ? 74 ILE A N 1 P00221 UNP 74 I +ATOM 534 C CA . ILE A 1 74 ? -2.444 4.457 2.757 1.0 97.32 ? 74 ILE A CA 1 P00221 UNP 74 I +ATOM 535 C C . ILE A 1 74 ? -3.081 3.376 3.644 1.0 97.32 ? 74 ILE A C 1 P00221 UNP 74 I +ATOM 536 C CB . ILE A 1 74 ? -3.377 4.895 1.606 1.0 97.32 ? 74 ILE A CB 1 P00221 UNP 74 I +ATOM 537 O O . ILE A 1 74 ? -3.637 3.709 4.688 1.0 97.32 ? 74 ILE A O 1 P00221 UNP 74 I +ATOM 538 C CG1 . ILE A 1 74 ? -2.829 6.201 0.985 1.0 97.32 ? 74 ILE A CG1 1 P00221 UNP 74 I +ATOM 539 C CG2 . ILE A 1 74 ? -4.829 5.089 2.081 1.0 97.32 ? 74 ILE A CG2 1 P00221 UNP 74 I +ATOM 540 C CD1 . ILE A 1 74 ? -3.557 6.658 -0.283 1.0 97.32 ? 74 ILE A CD1 1 P00221 UNP 74 I +ATOM 541 N N . LEU A 1 75 ? -2.996 2.097 3.253 1.0 97.32 ? 75 LEU A N 1 P00221 UNP 75 L +ATOM 542 C CA . LEU A 1 75 ? -3.491 0.988 4.074 1.0 97.32 ? 75 LEU A CA 1 P00221 UNP 75 L +ATOM 543 C C . LEU A 1 75 ? -2.756 0.893 5.419 1.0 97.32 ? 75 LEU A C 1 P00221 UNP 75 L +ATOM 544 C CB . LEU A 1 75 ? -3.370 -0.336 3.297 1.0 97.32 ? 75 LEU A CB 1 P00221 UNP 75 L +ATOM 545 O O . LEU A 1 75 ? -3.410 0.764 6.448 1.0 97.32 ? 75 LEU A O 1 P00221 UNP 75 L +ATOM 546 C CG . LEU A 1 75 ? -3.830 -1.569 4.103 1.0 97.32 ? 75 LEU A CG 1 P00221 UNP 75 L +ATOM 547 C CD1 . LEU A 1 75 ? -5.321 -1.507 4.427 1.0 97.32 ? 75 LEU A CD1 1 P00221 UNP 75 L +ATOM 548 C CD2 . LEU A 1 75 ? -3.589 -2.855 3.318 1.0 97.32 ? 75 LEU A CD2 1 P00221 UNP 75 L +ATOM 549 N N . ASP A 1 76 ? -1.426 0.966 5.415 1.0 96.85 ? 76 ASP A N 1 P00221 UNP 76 D +ATOM 550 C CA . ASP A 1 76 ? -0.616 0.805 6.626 1.0 96.85 ? 76 ASP A CA 1 P00221 UNP 76 D +ATOM 551 C C . ASP A 1 76 ? -0.880 1.951 7.612 1.0 96.85 ? 76 ASP A C 1 P00221 UNP 76 D +ATOM 552 C CB . ASP A 1 76 ? 0.879 0.737 6.259 1.0 96.85 ? 76 ASP A CB 1 P00221 UNP 76 D +ATOM 553 O O . ASP A 1 76 ? -1.127 1.718 8.793 1.0 96.85 ? 76 ASP A O 1 P00221 UNP 76 D +ATOM 554 C CG . ASP A 1 76 ? 1.297 -0.492 5.437 1.0 96.85 ? 76 ASP A CG 1 P00221 UNP 76 D +ATOM 555 O OD1 . ASP A 1 76 ? 0.500 -1.449 5.279 1.0 96.85 ? 76 ASP A OD1 1 P00221 UNP 76 D +ATOM 556 O OD2 . ASP A 1 76 ? 2.448 -0.496 4.954 1.0 96.85 ? 76 ASP A OD2 1 P00221 UNP 76 D +ATOM 557 N N . ALA A 1 77 ? -0.930 3.189 7.113 1.0 97.02 ? 77 ALA A N 1 P00221 UNP 77 A +ATOM 558 C CA . ALA A 1 77 ? -1.268 4.351 7.930 1.0 97.02 ? 77 ALA A CA 1 P00221 UNP 77 A +ATOM 559 C C . ALA A 1 77 ? -2.718 4.300 8.459 1.0 97.02 ? 77 ALA A C 1 P00221 UNP 77 A +ATOM 560 C CB . ALA A 1 77 ? -0.990 5.601 7.091 1.0 97.02 ? 77 ALA A CB 1 P00221 UNP 77 A +ATOM 561 O O . ALA A 1 77 ? -2.984 4.738 9.576 1.0 97.02 ? 77 ALA A O 1 P00221 UNP 77 A +ATOM 562 N N . ALA A 1 78 ? -3.660 3.734 7.697 1.0 96.98 ? 78 ALA A N 1 P00221 UNP 78 A +ATOM 563 C CA . ALA A 1 78 ? -5.030 3.524 8.164 1.0 96.98 ? 78 ALA A CA 1 P00221 UNP 78 A +ATOM 564 C C . ALA A 1 78 ? -5.096 2.479 9.296 1.0 96.98 ? 78 ALA A C 1 P00221 UNP 78 A +ATOM 565 C CB . ALA A 1 78 ? -5.907 3.134 6.966 1.0 96.98 ? 78 ALA A CB 1 P00221 UNP 78 A +ATOM 566 O O . ALA A 1 78 ? -5.784 2.704 10.294 1.0 96.98 ? 78 ALA A O 1 P00221 UNP 78 A +ATOM 567 N N . GLU A 1 79 ? -4.355 1.370 9.179 1.0 96.34 ? 79 GLU A N 1 P00221 UNP 79 E +ATOM 568 C CA . GLU A 1 79 ? -4.269 0.340 10.223 1.0 96.34 ? 79 GLU A CA 1 P00221 UNP 79 E +ATOM 569 C C . GLU A 1 79 ? -3.676 0.893 11.530 1.0 96.34 ? 79 GLU A C 1 P00221 UNP 79 E +ATOM 570 C CB . GLU A 1 79 ? -3.420 -0.861 9.754 1.0 96.34 ? 79 GLU A CB 1 P00221 UNP 79 E +ATOM 571 O O . GLU A 1 79 ? -4.181 0.578 12.610 1.0 96.34 ? 79 GLU A O 1 P00221 UNP 79 E +ATOM 572 C CG . GLU A 1 79 ? -4.108 -1.783 8.732 1.0 96.34 ? 79 GLU A CG 1 P00221 UNP 79 E +ATOM 573 C CD . GLU A 1 79 ? -3.284 -3.051 8.418 1.0 96.34 ? 79 GLU A CD 1 P00221 UNP 79 E +ATOM 574 O OE1 . GLU A 1 79 ? -3.872 -4.098 8.069 1.0 96.34 ? 79 GLU A OE1 1 P00221 UNP 79 E +ATOM 575 O OE2 . GLU A 1 79 ? -2.032 -3.064 8.516 1.0 96.34 ? 79 GLU A OE2 1 P00221 UNP 79 E +ATOM 576 N N . GLU A 1 80 ? -2.645 1.742 11.453 1.0 96.41 ? 80 GLU A N 1 P00221 UNP 80 E +ATOM 577 C CA . GLU A 1 80 ? -2.038 2.387 12.630 1.0 96.41 ? 80 GLU A CA 1 P00221 UNP 80 E +ATOM 578 C C . GLU A 1 80 ? -3.024 3.294 13.384 1.0 96.41 ? 80 GLU A C 1 P00221 UNP 80 E +ATOM 579 C CB . GLU A 1 80 ? -0.792 3.193 12.224 1.0 96.41 ? 80 GLU A CB 1 P00221 UNP 80 E +ATOM 580 O O . GLU A 1 80 ? -3.022 3.332 14.617 1.0 96.41 ? 80 GLU A O 1 P00221 UNP 80 E +ATOM 581 C CG . GLU A 1 80 ? 0.406 2.289 11.887 1.0 96.41 ? 80 GLU A CG 1 P00221 UNP 80 E +ATOM 582 C CD . GLU A 1 80 ? 1.729 3.052 11.682 1.0 96.41 ? 80 GLU A CD 1 P00221 UNP 80 E +ATOM 583 O OE1 . GLU A 1 80 ? 2.773 2.363 11.584 1.0 96.41 ? 80 GLU A OE1 1 P00221 UNP 80 E +ATOM 584 O OE2 . GLU A 1 80 ? 1.738 4.305 11.717 1.0 96.41 ? 80 GLU A OE2 1 P00221 UNP 80 E +ATOM 585 N N . GLU A 1 81 ? -3.921 3.959 12.656 1.0 96.03 ? 81 GLU A N 1 P00221 UNP 81 E +ATOM 586 C CA . GLU A 1 81 ? -4.999 4.785 13.211 1.0 96.03 ? 81 GLU A CA 1 P00221 UNP 81 E +ATOM 587 C C . GLU A 1 81 ? -6.222 3.957 13.663 1.0 96.03 ? 81 GLU A C 1 P00221 UNP 81 E +ATOM 588 C CB . GLU A 1 81 ? -5.372 5.865 12.183 1.0 96.03 ? 81 GLU A CB 1 P00221 UNP 81 E +ATOM 589 O O . GLU A 1 81 ? -7.202 4.499 14.179 1.0 96.03 ? 81 GLU A O 1 P00221 UNP 81 E +ATOM 590 C CG . GLU A 1 81 ? -4.228 6.871 11.949 1.0 96.03 ? 81 GLU A CG 1 P00221 UNP 81 E +ATOM 591 C CD . GLU A 1 81 ? -3.940 7.779 13.159 1.0 96.03 ? 81 GLU A CD 1 P00221 UNP 81 E +ATOM 592 O OE1 . GLU A 1 81 ? -2.749 8.015 13.467 1.0 96.03 ? 81 GLU A OE1 1 P00221 UNP 81 E +ATOM 593 O OE2 . GLU A 1 81 ? -4.909 8.301 13.761 1.0 96.03 ? 81 GLU A OE2 1 P00221 UNP 81 E +ATOM 594 N N . GLY A 1 82 ? -6.176 2.629 13.504 1.0 95.60 ? 82 GLY A N 1 P00221 UNP 82 G +ATOM 595 C CA . GLY A 1 82 ? -7.244 1.709 13.898 1.0 95.60 ? 82 GLY A CA 1 P00221 UNP 82 G +ATOM 596 C C . GLY A 1 82 ? -8.432 1.674 12.932 1.0 95.60 ? 82 GLY A C 1 P00221 UNP 82 G +ATOM 597 O O . GLY A 1 82 ? -9.535 1.291 13.331 1.0 95.60 ? 82 GLY A O 1 P00221 UNP 82 G +ATOM 598 N N . ILE A 1 83 ? -8.230 2.085 11.679 1.0 95.50 ? 83 ILE A N 1 P00221 UNP 83 I +ATOM 599 C CA . ILE A 1 83 ? -9.231 2.035 10.612 1.0 95.50 ? 83 ILE A CA 1 P00221 UNP 83 I +ATOM 600 C C . ILE A 1 83 ? -9.098 0.700 9.877 1.0 95.50 ? 83 ILE A C 1 P00221 UNP 83 I +ATOM 601 C CB . ILE A 1 83 ? -9.074 3.233 9.652 1.0 95.50 ? 83 ILE A CB 1 P00221 UNP 83 I +ATOM 602 O O . ILE A 1 83 ? -8.067 0.407 9.277 1.0 95.50 ? 83 ILE A O 1 P00221 UNP 83 I +ATOM 603 C CG1 . ILE A 1 83 ? -9.211 4.584 10.396 1.0 95.50 ? 83 ILE A CG1 1 P00221 UNP 83 I +ATOM 604 C CG2 . ILE A 1 83 ? -10.104 3.132 8.508 1.0 95.50 ? 83 ILE A CG2 1 P00221 UNP 83 I +ATOM 605 C CD1 . ILE A 1 83 ? -8.733 5.786 9.571 1.0 95.50 ? 83 ILE A CD1 1 P00221 UNP 83 I +ATOM 606 N N . ASP A 1 84 ? -10.168 -0.092 9.890 1.0 94.24 ? 84 ASP A N 1 P00221 UNP 84 D +ATOM 607 C CA . ASP A 1 84 ? -10.205 -1.381 9.200 1.0 94.24 ? 84 ASP A CA 1 P00221 UNP 84 D +ATOM 608 C C . ASP A 1 84 ? -10.549 -1.202 7.713 1.0 94.24 ? 84 ASP A C 1 P00221 UNP 84 D +ATOM 609 C CB . ASP A 1 84 ? -11.178 -2.321 9.928 1.0 94.24 ? 84 ASP A CB 1 P00221 UNP 84 D +ATOM 610 O O . ASP A 1 84 ? -11.539 -0.552 7.355 1.0 94.24 ? 84 ASP A O 1 P00221 UNP 84 D +ATOM 611 C CG . ASP A 1 84 ? -11.042 -3.785 9.495 1.0 94.24 ? 84 ASP A CG 1 P00221 UNP 84 D +ATOM 612 O OD1 . ASP A 1 84 ? -9.917 -4.187 9.126 1.0 94.24 ? 84 ASP A OD1 1 P00221 UNP 84 D +ATOM 613 O OD2 . ASP A 1 84 ? -12.060 -4.507 9.597 1.0 94.24 ? 84 ASP A OD2 1 P00221 UNP 84 D +ATOM 614 N N . LEU A 1 85 ? -9.721 -1.779 6.844 1.0 95.31 ? 85 LEU A N 1 P00221 UNP 85 L +ATOM 615 C CA . LEU A 1 85 ? -9.887 -1.774 5.393 1.0 95.31 ? 85 LEU A CA 1 P00221 UNP 85 L +ATOM 616 C C . LEU A 1 85 ? -9.721 -3.190 4.843 1.0 95.31 ? 85 LEU A C 1 P00221 UNP 85 L +ATOM 617 C CB . LEU A 1 85 ? -8.858 -0.835 4.736 1.0 95.31 ? 85 LEU A CB 1 P00221 UNP 85 L +ATOM 618 O O . LEU A 1 85 ? -8.950 -3.975 5.389 1.0 95.31 ? 85 LEU A O 1 P00221 UNP 85 L +ATOM 619 C CG . LEU A 1 85 ? -9.108 0.669 4.905 1.0 95.31 ? 85 LEU A CG 1 P00221 UNP 85 L +ATOM 620 C CD1 . LEU A 1 85 ? -8.027 1.422 4.120 1.0 95.31 ? 85 LEU A CD1 1 P00221 UNP 85 L +ATOM 621 C CD2 . LEU A 1 85 ? -10.483 1.074 4.361 1.0 95.31 ? 85 LEU A CD2 1 P00221 UNP 85 L +ATOM 622 N N . PRO A 1 86 ? -10.389 -3.532 3.730 1.0 95.42 ? 86 PRO A N 1 P00221 UNP 86 P +ATOM 623 C CA . PRO A 1 86 ? -10.244 -4.851 3.138 1.0 95.42 ? 86 PRO A CA 1 P00221 UNP 86 P +ATOM 624 C C . PRO A 1 86 ? -8.841 -5.013 2.532 1.0 95.42 ? 86 PRO A C 1 P00221 UNP 86 P +ATOM 625 C CB . PRO A 1 86 ? -11.374 -4.946 2.111 1.0 95.42 ? 86 PRO A CB 1 P00221 UNP 86 P +ATOM 626 O O . PRO A 1 86 ? -8.372 -4.173 1.763 1.0 95.42 ? 86 PRO A O 1 P00221 UNP 86 P +ATOM 627 C CG . PRO A 1 86 ? -11.584 -3.496 1.676 1.0 95.42 ? 86 PRO A CG 1 P00221 UNP 86 P +ATOM 628 C CD . PRO A 1 86 ? -11.302 -2.709 2.954 1.0 95.42 ? 86 PRO A CD 1 P00221 UNP 86 P +ATOM 629 N N . TYR A 1 87 ? -8.162 -6.112 2.867 1.0 95.33 ? 87 TYR A N 1 P00221 UNP 87 Y +ATOM 630 C CA . TYR A 1 87 ? -6.882 -6.503 2.275 1.0 95.33 ? 87 TYR A CA 1 P00221 UNP 87 Y +ATOM 631 C C . TYR A 1 87 ? -6.713 -8.026 2.268 1.0 95.33 ? 87 TYR A C 1 P00221 UNP 87 Y +ATOM 632 C CB . TYR A 1 87 ? -5.712 -5.822 3.004 1.0 95.33 ? 87 TYR A CB 1 P00221 UNP 87 Y +ATOM 633 O O . TYR A 1 87 ? -7.380 -8.757 2.997 1.0 95.33 ? 87 TYR A O 1 P00221 UNP 87 Y +ATOM 634 C CG . TYR A 1 87 ? -5.512 -6.249 4.446 1.0 95.33 ? 87 TYR A CG 1 P00221 UNP 87 Y +ATOM 635 C CD1 . TYR A 1 87 ? -6.110 -5.500 5.471 1.0 95.33 ? 87 TYR A CD1 1 P00221 UNP 87 Y +ATOM 636 C CD2 . TYR A 1 87 ? -4.725 -7.375 4.771 1.0 95.33 ? 87 TYR A CD2 1 P00221 UNP 87 Y +ATOM 637 C CE1 . TYR A 1 87 ? -5.940 -5.864 6.816 1.0 95.33 ? 87 TYR A CE1 1 P00221 UNP 87 Y +ATOM 638 C CE2 . TYR A 1 87 ? -4.543 -7.740 6.121 1.0 95.33 ? 87 TYR A CE2 1 P00221 UNP 87 Y +ATOM 639 O OH . TYR A 1 87 ? -4.908 -7.275 8.447 1.0 95.33 ? 87 TYR A OH 1 P00221 UNP 87 Y +ATOM 640 C CZ . TYR A 1 87 ? -5.141 -6.975 7.145 1.0 95.33 ? 87 TYR A CZ 1 P00221 UNP 87 Y +ATOM 641 N N . SER A 1 88 ? -5.795 -8.518 1.431 1.0 95.57 ? 88 SER A N 1 P00221 UNP 88 S +ATOM 642 C CA . SER A 1 88 ? -5.434 -9.941 1.392 1.0 95.57 ? 88 SER A CA 1 P00221 UNP 88 S +ATOM 643 C C . SER A 1 88 ? -3.943 -10.141 1.117 1.0 95.57 ? 88 SER A C 1 P00221 UNP 88 S +ATOM 644 C CB . SER A 1 88 ? -6.310 -10.676 0.368 1.0 95.57 ? 88 SER A CB 1 P00221 UNP 88 S +ATOM 645 O O . SER A 1 88 ? -3.199 -10.545 2.006 1.0 95.57 ? 88 SER A O 1 P00221 UNP 88 S +ATOM 646 O OG . SER A 1 88 ? -6.017 -12.057 0.398 1.0 95.57 ? 88 SER A OG 1 P00221 UNP 88 S +ATOM 647 N N . CYS A 1 89 ? -3.477 -9.800 -0.090 1.0 96.40 ? 89 CYS A N 1 P00221 UNP 89 C +ATOM 648 C CA . CYS A 1 89 ? -2.105 -10.079 -0.525 1.0 96.40 ? 89 CYS A CA 1 P00221 UNP 89 C +ATOM 649 C C . CYS A 1 89 ? -1.047 -9.091 0.003 1.0 96.40 ? 89 CYS A C 1 P00221 UNP 89 C +ATOM 650 C CB . CYS A 1 89 ? -2.078 -10.126 -2.061 1.0 96.40 ? 89 CYS A CB 1 P00221 UNP 89 C +ATOM 651 O O . CYS A 1 89 ? 0.110 -9.476 0.141 1.0 96.40 ? 89 CYS A O 1 P00221 UNP 89 C +ATOM 652 S SG . CYS A 1 89 ? -2.555 -8.587 -2.908 1.0 96.40 ? 89 CYS A SG 1 P00221 UNP 89 C +ATOM 653 N N . ARG A 1 90 ? -1.422 -7.821 0.245 1.0 94.02 ? 90 ARG A N 1 P00221 UNP 90 R +ATOM 654 C CA . ARG A 1 90 ? -0.526 -6.698 0.627 1.0 94.02 ? 90 ARG A CA 1 P00221 UNP 90 R +ATOM 655 C C . ARG A 1 90 ? 0.710 -6.514 -0.275 1.0 94.02 ? 90 ARG A C 1 P00221 UNP 90 R +ATOM 656 C CB . ARG A 1 90 ? -0.131 -6.770 2.116 1.0 94.02 ? 90 ARG A CB 1 P00221 UNP 90 R +ATOM 657 O O . ARG A 1 90 ? 1.730 -6.002 0.162 1.0 94.02 ? 90 ARG A O 1 P00221 UNP 90 R +ATOM 658 C CG . ARG A 1 90 ? -1.330 -6.752 3.072 1.0 94.02 ? 90 ARG A CG 1 P00221 UNP 90 R +ATOM 659 C CD . ARG A 1 90 ? -0.886 -6.724 4.543 1.0 94.02 ? 90 ARG A CD 1 P00221 UNP 90 R +ATOM 660 N NE . ARG A 1 90 ? -0.436 -5.388 5.006 1.0 94.02 ? 90 ARG A NE 1 P00221 UNP 90 R +ATOM 661 N NH1 . ARG A 1 90 ? -1.367 -5.440 7.122 1.0 94.02 ? 90 ARG A NH1 1 P00221 UNP 90 R +ATOM 662 N NH2 . ARG A 1 90 ? -0.231 -3.687 6.539 1.0 94.02 ? 90 ARG A NH2 1 P00221 UNP 90 R +ATOM 663 C CZ . ARG A 1 90 ? -0.662 -4.856 6.201 1.0 94.02 ? 90 ARG A CZ 1 P00221 UNP 90 R +ATOM 664 N N . ALA A 1 91 ? 0.620 -6.942 -1.531 1.0 94.91 ? 91 ALA A N 1 P00221 UNP 91 A +ATOM 665 C CA . ALA A 1 91 ? 1.715 -6.879 -2.502 1.0 94.91 ? 91 ALA A CA 1 P00221 UNP 91 A +ATOM 666 C C . ALA A 1 91 ? 1.319 -6.138 -3.791 1.0 94.91 ? 91 ALA A C 1 P00221 UNP 91 A +ATOM 667 C CB . ALA A 1 91 ? 2.198 -8.313 -2.759 1.0 94.91 ? 91 ALA A CB 1 P00221 UNP 91 A +ATOM 668 O O . ALA A 1 91 ? 1.973 -6.305 -4.815 1.0 94.91 ? 91 ALA A O 1 P00221 UNP 91 A +ATOM 669 N N . GLY A 1 92 ? 0.197 -5.405 -3.778 1.0 95.29 ? 92 GLY A N 1 P00221 UNP 92 G +ATOM 670 C CA . GLY A 1 92 ? -0.312 -4.705 -4.964 1.0 95.29 ? 92 GLY A CA 1 P00221 UNP 92 G +ATOM 671 C C . GLY A 1 92 ? -0.662 -5.630 -6.139 1.0 95.29 ? 92 GLY A C 1 P00221 UNP 92 G +ATOM 672 O O . GLY A 1 92 ? -0.607 -5.203 -7.286 1.0 95.29 ? 92 GLY A O 1 P00221 UNP 92 G +ATOM 673 N N . SER A 1 93 ? -0.968 -6.904 -5.875 1.0 95.82 ? 93 SER A N 1 P00221 UNP 93 S +ATOM 674 C CA . SER A 1 93 ? -1.162 -7.949 -6.897 1.0 95.82 ? 93 SER A CA 1 P00221 UNP 93 S +ATOM 675 C C . SER A 1 93 ? -2.557 -8.589 -6.878 1.0 95.82 ? 93 SER A C 1 P00221 UNP 93 S +ATOM 676 C CB . SER A 1 93 ? -0.066 -9.004 -6.751 1.0 95.82 ? 93 SER A CB 1 P00221 UNP 93 S +ATOM 677 O O . SER A 1 93 ? -2.790 -9.600 -7.539 1.0 95.82 ? 93 SER A O 1 P00221 UNP 93 S +ATOM 678 O OG . SER A 1 93 ? -0.122 -9.627 -5.475 1.0 95.82 ? 93 SER A OG 1 P00221 UNP 93 S +ATOM 679 N N . CYS A 1 94 ? -3.487 -8.025 -6.105 1.0 96.09 ? 94 CYS A N 1 P00221 UNP 94 C +ATOM 680 C CA . CYS A 1 94 ? -4.852 -8.518 -5.947 1.0 96.09 ? 94 CYS A CA 1 P00221 UNP 94 C +ATOM 681 C C . CYS A 1 94 ? -5.857 -7.358 -5.846 1.0 96.09 ? 94 CYS A C 1 P00221 UNP 94 C +ATOM 682 C CB . CYS A 1 94 ? -4.925 -9.441 -4.715 1.0 96.09 ? 94 CYS A CB 1 P00221 UNP 94 C +ATOM 683 O O . CYS A 1 94 ? -5.490 -6.248 -5.466 1.0 96.09 ? 94 CYS A O 1 P00221 UNP 94 C +ATOM 684 S SG . CYS A 1 94 ? -4.602 -8.674 -3.091 1.0 96.09 ? 94 CYS A SG 1 P00221 UNP 94 C +ATOM 685 N N . SER A 1 95 ? -7.134 -7.636 -6.121 1.0 94.83 ? 95 SER A N 1 P00221 UNP 95 S +ATOM 686 C CA . SER A 1 95 ? -8.246 -6.672 -6.091 1.0 94.83 ? 95 SER A CA 1 P00221 UNP 95 S +ATOM 687 C C . SER A 1 95 ? -8.809 -6.374 -4.699 1.0 94.83 ? 95 SER A C 1 P00221 UNP 95 S +ATOM 688 C CB . SER A 1 95 ? -9.391 -7.203 -6.962 1.0 94.83 ? 95 SER A CB 1 P00221 UNP 95 S +ATOM 689 O O . SER A 1 95 ? -9.620 -5.465 -4.558 1.0 94.83 ? 95 SER A O 1 P00221 UNP 95 S +ATOM 690 O OG . SER A 1 95 ? -9.674 -8.556 -6.635 1.0 94.83 ? 95 SER A OG 1 P00221 UNP 95 S +ATOM 691 N N . SER A 1 96 ? -8.403 -7.102 -3.656 1.0 96.73 ? 96 SER A N 1 P00221 UNP 96 S +ATOM 692 C CA . SER A 1 96 ? -9.071 -7.016 -2.346 1.0 96.73 ? 96 SER A CA 1 P00221 UNP 96 S +ATOM 693 C C . SER A 1 96 ? -8.940 -5.653 -1.669 1.0 96.73 ? 96 SER A C 1 P00221 UNP 96 S +ATOM 694 C CB . SER A 1 96 ? -8.566 -8.115 -1.415 1.0 96.73 ? 96 SER A CB 1 P00221 UNP 96 S +ATOM 695 O O . SER A 1 96 ? -9.832 -5.247 -0.934 1.0 96.73 ? 96 SER A O 1 P00221 UNP 96 S +ATOM 696 O OG . SER A 1 96 ? -8.599 -9.362 -2.083 1.0 96.73 ? 96 SER A OG 1 P00221 UNP 96 S +ATOM 697 N N . CYS A 1 97 ? -7.849 -4.928 -1.939 1.0 96.99 ? 97 CYS A N 1 P00221 UNP 97 C +ATOM 698 C CA . CYS A 1 97 ? -7.617 -3.576 -1.423 1.0 96.99 ? 97 CYS A CA 1 P00221 UNP 97 C +ATOM 699 C C . CYS A 1 97 ? -8.096 -2.475 -2.397 1.0 96.99 ? 97 CYS A C 1 P00221 UNP 97 C +ATOM 700 C CB . CYS A 1 97 ? -6.152 -3.458 -0.943 1.0 96.99 ? 97 CYS A CB 1 P00221 UNP 97 C +ATOM 701 O O . CYS A 1 97 ? -7.664 -1.325 -2.301 1.0 96.99 ? 97 CYS A O 1 P00221 UNP 97 C +ATOM 702 S SG . CYS A 1 97 ? -4.885 -3.197 -2.230 1.0 96.99 ? 97 CYS A SG 1 P00221 UNP 97 C +ATOM 703 N N . ALA A 1 98 ? -8.963 -2.818 -3.361 1.0 97.36 ? 98 ALA A N 1 P00221 UNP 98 A +ATOM 704 C CA . ALA A 1 98 ? -9.425 -1.886 -4.382 1.0 97.36 ? 98 ALA A CA 1 P00221 UNP 98 A +ATOM 705 C C . ALA A 1 98 ? -10.331 -0.784 -3.816 1.0 97.36 ? 98 ALA A C 1 P00221 UNP 98 A +ATOM 706 C CB . ALA A 1 98 ? -10.109 -2.632 -5.533 1.0 97.36 ? 98 ALA A CB 1 P00221 UNP 98 A +ATOM 707 O O . ALA A 1 98 ? -11.282 -1.016 -3.056 1.0 97.36 ? 98 ALA A O 1 P00221 UNP 98 A +ATOM 708 N N . GLY A 1 99 ? -10.048 0.433 -4.263 1.0 97.46 ? 99 GLY A N 1 P00221 UNP 99 G +ATOM 709 C CA . GLY A 1 99 ? -10.836 1.628 -4.033 1.0 97.46 ? 99 GLY A CA 1 P00221 UNP 99 G +ATOM 710 C C . GLY A 1 99 ? -10.931 2.494 -5.286 1.0 97.46 ? 99 GLY A C 1 P00221 UNP 99 G +ATOM 711 O O . GLY A 1 99 ? -10.322 2.208 -6.318 1.0 97.46 ? 99 GLY A O 1 P00221 UNP 99 G +ATOM 712 N N . LYS A 1 100 ? -11.693 3.583 -5.179 1.0 97.48 ? 100 LYS A N 1 P00221 UNP 100 K +ATOM 713 C CA . LYS A 1 100 ? -11.872 4.572 -6.243 1.0 97.48 ? 100 LYS A CA 1 P00221 UNP 100 K +ATOM 714 C C . LYS A 1 100 ? -11.452 5.956 -5.767 1.0 97.48 ? 100 LYS A C 1 P00221 UNP 100 K +ATOM 715 C CB . LYS A 1 100 ? -13.329 4.539 -6.736 1.0 97.48 ? 100 LYS A CB 1 P00221 UNP 100 K +ATOM 716 O O . LYS A 1 100 ? -12.020 6.488 -4.813 1.0 97.48 ? 100 LYS A O 1 P00221 UNP 100 K +ATOM 717 C CG . LYS A 1 100 ? -13.491 5.175 -8.122 1.0 97.48 ? 100 LYS A CG 1 P00221 UNP 100 K +ATOM 718 C CD . LYS A 1 100 ? -13.015 4.215 -9.220 1.0 97.48 ? 100 LYS A CD 1 P00221 UNP 100 K +ATOM 719 C CE . LYS A 1 100 ? -13.097 4.892 -10.581 1.0 97.48 ? 100 LYS A CE 1 P00221 UNP 100 K +ATOM 720 N NZ . LYS A 1 100 ? -12.581 4.009 -11.651 1.0 97.48 ? 100 LYS A NZ 1 P00221 UNP 100 K +ATOM 721 N N . LEU A 1 101 ? -10.480 6.555 -6.442 1.0 98.00 ? 101 LEU A N 1 P00221 UNP 101 L +ATOM 722 C CA . LEU A 1 101 ? -10.034 7.917 -6.186 1.0 98.00 ? 101 LEU A CA 1 P00221 UNP 101 L +ATOM 723 C C . LEU A 1 101 ? -11.112 8.913 -6.636 1.0 98.00 ? 101 LEU A C 1 P00221 UNP 101 L +ATOM 724 C CB . LEU A 1 101 ? -8.694 8.134 -6.908 1.0 98.00 ? 101 LEU A CB 1 P00221 UNP 101 L +ATOM 725 O O . LEU A 1 101 ? -11.552 8.899 -7.784 1.0 98.00 ? 101 LEU A O 1 P00221 UNP 101 L +ATOM 726 C CG . LEU A 1 101 ? -8.023 9.486 -6.604 1.0 98.00 ? 101 LEU A CG 1 P00221 UNP 101 L +ATOM 727 C CD1 . LEU A 1 101 ? -7.683 9.622 -5.119 1.0 98.00 ? 101 LEU A CD1 1 P00221 UNP 101 L +ATOM 728 C CD2 . LEU A 1 101 ? -6.736 9.603 -7.417 1.0 98.00 ? 101 LEU A CD2 1 P00221 UNP 101 L +ATOM 729 N N . LYS A 1 102 ? -11.550 9.788 -5.728 1.0 97.25 ? 102 LYS A N 1 P00221 UNP 102 K +ATOM 730 C CA . LYS A 1 102 ? -12.512 10.864 -6.019 1.0 97.25 ? 102 LYS A CA 1 P00221 UNP 102 K +ATOM 731 C C . LYS A 1 102 ? -11.840 12.201 -6.250 1.0 97.25 ? 102 LYS A C 1 P00221 UNP 102 K +ATOM 732 C CB . LYS A 1 102 ? -13.526 11.002 -4.876 1.0 97.25 ? 102 LYS A CB 1 P00221 UNP 102 K +ATOM 733 O O . LYS A 1 102 ? -12.257 12.950 -7.128 1.0 97.25 ? 102 LYS A O 1 P00221 UNP 102 K +ATOM 734 C CG . LYS A 1 102 ? -14.434 9.786 -4.730 1.0 97.25 ? 102 LYS A CG 1 P00221 UNP 102 K +ATOM 735 C CD . LYS A 1 102 ? -15.290 9.533 -5.983 1.0 97.25 ? 102 LYS A CD 1 P00221 UNP 102 K +ATOM 736 C CE . LYS A 1 102 ? -16.151 8.365 -5.566 1.0 97.25 ? 102 LYS A CE 1 P00221 UNP 102 K +ATOM 737 N NZ . LYS A 1 102 ? -17.104 7.824 -6.558 1.0 97.25 ? 102 LYS A NZ 1 P00221 UNP 102 K +ATOM 738 N N . THR A 1 103 ? -10.846 12.521 -5.431 1.0 97.23 ? 103 THR A N 1 P00221 UNP 103 T +ATOM 739 C CA . THR A 1 103 ? -10.115 13.788 -5.480 1.0 97.23 ? 103 THR A CA 1 P00221 UNP 103 T +ATOM 740 C C . THR A 1 103 ? -8.674 13.581 -5.033 1.0 97.23 ? 103 THR A C 1 P00221 UNP 103 T +ATOM 741 C CB . THR A 1 103 ? -10.760 14.876 -4.599 1.0 97.23 ? 103 THR A CB 1 P00221 UNP 103 T +ATOM 742 O O . THR A 1 103 ? -8.389 12.680 -4.242 1.0 97.23 ? 103 THR A O 1 P00221 UNP 103 T +ATOM 743 C CG2 . THR A 1 103 ? -12.205 15.212 -4.970 1.0 97.23 ? 103 THR A CG2 1 P00221 UNP 103 T +ATOM 744 O OG1 . THR A 1 103 ? -10.772 14.484 -3.250 1.0 97.23 ? 103 THR A OG1 1 P00221 UNP 103 T +ATOM 745 N N . GLY A 1 104 ? -7.786 14.450 -5.517 1.0 96.90 ? 104 GLY A N 1 P00221 UNP 104 G +ATOM 746 C CA . GLY A 1 104 ? -6.362 14.432 -5.196 1.0 96.90 ? 104 GLY A CA 1 P00221 UNP 104 G +ATOM 747 C C . GLY A 1 104 ? -5.527 13.596 -6.163 1.0 96.90 ? 104 GLY A C 1 P00221 UNP 104 G +ATOM 748 O O . GLY A 1 104 ? -5.995 13.183 -7.224 1.0 96.90 ? 104 GLY A O 1 P00221 UNP 104 G +ATOM 749 N N . SER A 1 105 ? -4.273 13.379 -5.785 1.0 96.43 ? 105 SER A N 1 P00221 UNP 105 S +ATOM 750 C CA . SER A 1 105 ? -3.296 12.592 -6.526 1.0 96.43 ? 105 SER A CA 1 P00221 UNP 105 S +ATOM 751 C C . SER A 1 105 ? -2.557 11.644 -5.589 1.0 96.43 ? 105 SER A C 1 P00221 UNP 105 S +ATOM 752 C CB . SER A 1 105 ? -2.295 13.511 -7.229 1.0 96.43 ? 105 SER A CB 1 P00221 UNP 105 S +ATOM 753 O O . SER A 1 105 ? -2.205 11.997 -4.463 1.0 96.43 ? 105 SER A O 1 P00221 UNP 105 S +ATOM 754 O OG . SER A 1 105 ? -2.957 14.297 -8.205 1.0 96.43 ? 105 SER A OG 1 P00221 UNP 105 S +ATOM 755 N N . LEU A 1 106 ? -2.292 10.442 -6.086 1.0 96.86 ? 106 LEU A N 1 P00221 UNP 106 L +ATOM 756 C CA . LEU A 1 106 ? -1.520 9.412 -5.404 1.0 96.86 ? 106 LEU A CA 1 P00221 UNP 106 L +ATOM 757 C C . LEU A 1 106 ? -0.552 8.757 -6.385 1.0 96.86 ? 106 LEU A C 1 P00221 UNP 106 L +ATOM 758 C CB . LEU A 1 106 ? -2.467 8.422 -4.704 1.0 96.86 ? 106 LEU A CB 1 P00221 UNP 106 L +ATOM 759 O O . LEU A 1 106 ? -0.781 8.781 -7.594 1.0 96.86 ? 106 LEU A O 1 P00221 UNP 106 L +ATOM 760 C CG . LEU A 1 106 ? -3.499 7.707 -5.601 1.0 96.86 ? 106 LEU A CG 1 P00221 UNP 106 L +ATOM 761 C CD1 . LEU A 1 106 ? -2.954 6.439 -6.261 1.0 96.86 ? 106 LEU A CD1 1 P00221 UNP 106 L +ATOM 762 C CD2 . LEU A 1 106 ? -4.687 7.329 -4.721 1.0 96.86 ? 106 LEU A CD2 1 P00221 UNP 106 L +ATOM 763 N N . ASN A 1 107 ? 0.526 8.195 -5.855 1.0 96.33 ? 107 ASN A N 1 P00221 UNP 107 N +ATOM 764 C CA . ASN A 1 107 ? 1.431 7.322 -6.585 1.0 96.33 ? 107 ASN A CA 1 P00221 UNP 107 N +ATOM 765 C C . ASN A 1 107 ? 1.070 5.875 -6.232 1.0 96.33 ? 107 ASN A C 1 P00221 UNP 107 N +ATOM 766 C CB . ASN A 1 107 ? 2.887 7.696 -6.242 1.0 96.33 ? 107 ASN A CB 1 P00221 UNP 107 N +ATOM 767 O O . ASN A 1 107 ? 0.990 5.544 -5.053 1.0 96.33 ? 107 ASN A O 1 P00221 UNP 107 N +ATOM 768 C CG . ASN A 1 107 ? 3.876 6.848 -7.026 1.0 96.33 ? 107 ASN A CG 1 P00221 UNP 107 N +ATOM 769 N ND2 . ASN A 1 107 ? 4.879 7.421 -7.639 1.0 96.33 ? 107 ASN A ND2 1 P00221 UNP 107 N +ATOM 770 O OD1 . ASN A 1 107 ? 3.724 5.652 -7.147 1.0 96.33 ? 107 ASN A OD1 1 P00221 UNP 107 N +ATOM 771 N N . GLN A 1 108 ? 0.851 5.033 -7.238 1.0 96.30 ? 108 GLN A N 1 P00221 UNP 108 Q +ATOM 772 C CA . GLN A 1 108 ? 0.638 3.596 -7.060 1.0 96.30 ? 108 GLN A CA 1 P00221 UNP 108 Q +ATOM 773 C C . GLN A 1 108 ? 1.542 2.769 -7.982 1.0 96.30 ? 108 GLN A C 1 P00221 UNP 108 Q +ATOM 774 C CB . GLN A 1 108 ? -0.859 3.247 -7.159 1.0 96.30 ? 108 GLN A CB 1 P00221 UNP 108 Q +ATOM 775 O O . GLN A 1 108 ? 1.148 1.707 -8.437 1.0 96.30 ? 108 GLN A O 1 P00221 UNP 108 Q +ATOM 776 C CG . GLN A 1 108 ? -1.502 3.575 -8.521 1.0 96.30 ? 108 GLN A CG 1 P00221 UNP 108 Q +ATOM 777 C CD . GLN A 1 108 ? -2.982 3.206 -8.556 1.0 96.30 ? 108 GLN A CD 1 P00221 UNP 108 Q +ATOM 778 N NE2 . GLN A 1 108 ? -3.791 3.933 -9.297 1.0 96.30 ? 108 GLN A NE2 1 P00221 UNP 108 Q +ATOM 779 O OE1 . GLN A 1 108 ? -3.439 2.281 -7.899 1.0 96.30 ? 108 GLN A OE1 1 P00221 UNP 108 Q +ATOM 780 N N . ASP A 1 109 ? 2.751 3.249 -8.280 1.0 95.43 ? 109 ASP A N 1 P00221 UNP 109 D +ATOM 781 C CA . ASP A 1 109 ? 3.690 2.600 -9.209 1.0 95.43 ? 109 ASP A CA 1 P00221 UNP 109 D +ATOM 782 C C . ASP A 1 109 ? 4.161 1.215 -8.715 1.0 95.43 ? 109 ASP A C 1 P00221 UNP 109 D +ATOM 783 C CB . ASP A 1 109 ? 4.913 3.512 -9.438 1.0 95.43 ? 109 ASP A CB 1 P00221 UNP 109 D +ATOM 784 O O . ASP A 1 109 ? 4.617 0.395 -9.511 1.0 95.43 ? 109 ASP A O 1 P00221 UNP 109 D +ATOM 785 C CG . ASP A 1 109 ? 4.617 4.854 -10.128 1.0 95.43 ? 109 ASP A CG 1 P00221 UNP 109 D +ATOM 786 O OD1 . ASP A 1 109 ? 3.605 4.956 -10.855 1.0 95.43 ? 109 ASP A OD1 1 P00221 UNP 109 D +ATOM 787 O OD2 . ASP A 1 109 ? 5.438 5.792 -9.950 1.0 95.43 ? 109 ASP A OD2 1 P00221 UNP 109 D +ATOM 788 N N . ASP A 1 110 ? 4.030 0.942 -7.412 1.0 95.52 ? 110 ASP A N 1 P00221 UNP 110 D +ATOM 789 C CA . ASP A 1 110 ? 4.407 -0.331 -6.780 1.0 95.52 ? 110 ASP A CA 1 P00221 UNP 110 D +ATOM 790 C C . ASP A 1 110 ? 3.375 -1.455 -7.009 1.0 95.52 ? 110 ASP A C 1 P00221 UNP 110 D +ATOM 791 C CB . ASP A 1 110 ? 4.657 -0.098 -5.274 1.0 95.52 ? 110 ASP A CB 1 P00221 UNP 110 D +ATOM 792 O O . ASP A 1 110 ? 3.621 -2.619 -6.677 1.0 95.52 ? 110 ASP A O 1 P00221 UNP 110 D +ATOM 793 C CG . ASP A 1 110 ? 5.966 0.649 -4.958 1.0 95.52 ? 110 ASP A CG 1 P00221 UNP 110 D +ATOM 794 O OD1 . ASP A 1 110 ? 6.852 0.728 -5.839 1.0 95.52 ? 110 ASP A OD1 1 P00221 UNP 110 D +ATOM 795 O OD2 . ASP A 1 110 ? 6.114 1.101 -3.799 1.0 95.52 ? 110 ASP A OD2 1 P00221 UNP 110 D +ATOM 796 N N . GLN A 1 111 ? 2.209 -1.136 -7.576 1.0 95.77 ? 111 GLN A N 1 P00221 UNP 111 Q +ATOM 797 C CA . GLN A 1 111 ? 1.164 -2.108 -7.889 1.0 95.77 ? 111 GLN A CA 1 P00221 UNP 111 Q +ATOM 798 C C . GLN A 1 111 ? 1.426 -2.838 -9.223 1.0 95.77 ? 111 GLN A C 1 P00221 UNP 111 Q +ATOM 799 C CB . GLN A 1 111 ? -0.197 -1.401 -7.809 1.0 95.77 ? 111 GLN A CB 1 P00221 UNP 111 Q +ATOM 800 O O . GLN A 1 111 ? 2.146 -2.355 -10.092 1.0 95.77 ? 111 GLN A O 1 P00221 UNP 111 Q +ATOM 801 C CG . GLN A 1 111 ? -0.557 -0.609 -9.080 1.0 95.77 ? 111 GLN A CG 1 P00221 UNP 111 Q +ATOM 802 C CD . GLN A 1 111 ? -1.216 -1.439 -10.160 1.0 95.77 ? 111 GLN A CD 1 P00221 UNP 111 Q +ATOM 803 N NE2 . GLN A 1 111 ? -1.048 -1.083 -11.412 1.0 95.77 ? 111 GLN A NE2 1 P00221 UNP 111 Q +ATOM 804 O OE1 . GLN A 1 111 ? -1.871 -2.431 -9.882 1.0 95.77 ? 111 GLN A OE1 1 P00221 UNP 111 Q +ATOM 805 N N . SER A 1 112 ? 0.819 -4.013 -9.414 1.0 95.91 ? 112 SER A N 1 P00221 UNP 112 S +ATOM 806 C CA . SER A 1 112 ? 0.989 -4.844 -10.623 1.0 95.91 ? 112 SER A CA 1 P00221 UNP 112 S +ATOM 807 C C . SER A 1 112 ? -0.301 -5.497 -11.139 1.0 95.91 ? 112 SER A C 1 P00221 UNP 112 S +ATOM 808 C CB . SER A 1 112 ? 2.064 -5.908 -10.363 1.0 95.91 ? 112 SER A CB 1 P00221 UNP 112 S +ATOM 809 O O . SER A 1 112 ? -0.243 -6.378 -11.997 1.0 95.91 ? 112 SER A O 1 P00221 UNP 112 S +ATOM 810 O OG . SER A 1 112 ? 1.715 -6.728 -9.258 1.0 95.91 ? 112 SER A OG 1 P00221 UNP 112 S +ATOM 811 N N . PHE A 1 113 ? -1.456 -5.108 -10.600 1.0 96.54 ? 113 PHE A N 1 P00221 UNP 113 F +ATOM 812 C CA . PHE A 1 113 ? -2.754 -5.725 -10.874 1.0 96.54 ? 113 PHE A CA 1 P00221 UNP 113 F +ATOM 813 C C . PHE A 1 113 ? -3.638 -4.888 -11.808 1.0 96.54 ? 113 PHE A C 1 P00221 UNP 113 F +ATOM 814 C CB . PHE A 1 113 ? -3.449 -5.969 -9.533 1.0 96.54 ? 113 PHE A CB 1 P00221 UNP 113 F +ATOM 815 O O . PHE A 1 113 ? -4.209 -5.446 -12.740 1.0 96.54 ? 113 PHE A O 1 P00221 UNP 113 F +ATOM 816 C CG . PHE A 1 113 ? -4.826 -6.586 -9.647 1.0 96.54 ? 113 PHE A CG 1 P00221 UNP 113 F +ATOM 817 C CD1 . PHE A 1 113 ? -5.977 -5.778 -9.594 1.0 96.54 ? 113 PHE A CD1 1 P00221 UNP 113 F +ATOM 818 C CD2 . PHE A 1 113 ? -4.953 -7.970 -9.864 1.0 96.54 ? 113 PHE A CD2 1 P00221 UNP 113 F +ATOM 819 C CE1 . PHE A 1 113 ? -7.245 -6.353 -9.781 1.0 96.54 ? 113 PHE A CE1 1 P00221 UNP 113 F +ATOM 820 C CE2 . PHE A 1 113 ? -6.224 -8.544 -10.040 1.0 96.54 ? 113 PHE A CE2 1 P00221 UNP 113 F +ATOM 821 C CZ . PHE A 1 113 ? -7.370 -7.734 -10.005 1.0 96.54 ? 113 PHE A CZ 1 P00221 UNP 113 F +ATOM 822 N N . LEU A 1 114 ? -3.754 -3.582 -11.555 1.0 96.33 ? 114 LEU A N 1 P00221 UNP 114 L +ATOM 823 C CA . LEU A 1 114 ? -4.530 -2.651 -12.371 1.0 96.33 ? 114 LEU A CA 1 P00221 UNP 114 L +ATOM 824 C C . LEU A 1 114 ? -3.795 -2.350 -13.678 1.0 96.33 ? 114 LEU A C 1 P00221 UNP 114 L +ATOM 825 C CB . LEU A 1 114 ? -4.811 -1.339 -11.609 1.0 96.33 ? 114 LEU A CB 1 P00221 UNP 114 L +ATOM 826 O O . LEU A 1 114 ? -2.580 -2.128 -13.664 1.0 96.33 ? 114 LEU A O 1 P00221 UNP 114 L +ATOM 827 C CG . LEU A 1 114 ? -5.566 -1.484 -10.278 1.0 96.33 ? 114 LEU A CG 1 P00221 UNP 114 L +ATOM 828 C CD1 . LEU A 1 114 ? -5.686 -0.117 -9.598 1.0 96.33 ? 114 LEU A CD1 1 P00221 UNP 114 L +ATOM 829 C CD2 . LEU A 1 114 ? -6.978 -2.038 -10.461 1.0 96.33 ? 114 LEU A CD2 1 P00221 UNP 114 L +ATOM 830 N N . ASP A 1 115 ? -4.537 -2.316 -14.779 1.0 95.81 ? 115 ASP A N 1 P00221 UNP 115 D +ATOM 831 C CA . ASP A 1 115 ? -4.045 -1.814 -16.062 1.0 95.81 ? 115 ASP A CA 1 P00221 UNP 115 D +ATOM 832 C C . ASP A 1 115 ? -4.138 -0.277 -16.155 1.0 95.81 ? 115 ASP A C 1 P00221 UNP 115 D +ATOM 833 C CB . ASP A 1 115 ? -4.740 -2.552 -17.222 1.0 95.81 ? 115 ASP A CB 1 P00221 UNP 115 D +ATOM 834 O O . ASP A 1 115 ? -4.715 0.390 -15.292 1.0 95.81 ? 115 ASP A O 1 P00221 UNP 115 D +ATOM 835 C CG . ASP A 1 115 ? -6.260 -2.373 -17.259 1.0 95.81 ? 115 ASP A CG 1 P00221 UNP 115 D +ATOM 836 O OD1 . ASP A 1 115 ? -6.710 -1.214 -17.147 1.0 95.81 ? 115 ASP A OD1 1 P00221 UNP 115 D +ATOM 837 O OD2 . ASP A 1 115 ? -6.958 -3.399 -17.427 1.0 95.81 ? 115 ASP A OD2 1 P00221 UNP 115 D +ATOM 838 N N . ASP A 1 116 ? -3.526 0.293 -17.196 1.0 95.50 ? 116 ASP A N 1 P00221 UNP 116 D +ATOM 839 C CA . ASP A 1 116 ? -3.459 1.746 -17.387 1.0 95.50 ? 116 ASP A CA 1 P00221 UNP 116 D +ATOM 840 C C . ASP A 1 116 ? -4.860 2.374 -17.523 1.0 95.50 ? 116 ASP A C 1 P00221 UNP 116 D +ATOM 841 C CB . ASP A 1 116 ? -2.604 2.074 -18.629 1.0 95.50 ? 116 ASP A CB 1 P00221 UNP 116 D +ATOM 842 O O . ASP A 1 116 ? -5.105 3.445 -16.968 1.0 95.50 ? 116 ASP A O 1 P00221 UNP 116 D +ATOM 843 C CG . ASP A 1 116 ? -1.114 1.697 -18.533 1.0 95.50 ? 116 ASP A CG 1 P00221 UNP 116 D +ATOM 844 O OD1 . ASP A 1 116 ? -0.602 1.477 -17.414 1.0 95.50 ? 116 ASP A OD1 1 P00221 UNP 116 D +ATOM 845 O OD2 . ASP A 1 116 ? -0.464 1.626 -19.607 1.0 95.50 ? 116 ASP A OD2 1 P00221 UNP 116 D +ATOM 846 N N . ASP A 1 117 ? -5.798 1.689 -18.191 1.0 95.97 ? 117 ASP A N 1 P00221 UNP 117 D +ATOM 847 C CA . ASP A 1 117 ? -7.170 2.175 -18.378 1.0 95.97 ? 117 ASP A CA 1 P00221 UNP 117 D +ATOM 848 C C . ASP A 1 117 ? -7.895 2.256 -17.022 1.0 95.97 ? 117 ASP A C 1 P00221 UNP 117 D +ATOM 849 C CB . ASP A 1 117 ? -7.946 1.263 -19.356 1.0 95.97 ? 117 ASP A CB 1 P00221 UNP 117 D +ATOM 850 O O . ASP A 1 117 ? -8.546 3.255 -16.706 1.0 95.97 ? 117 ASP A O 1 P00221 UNP 117 D +ATOM 851 C CG . ASP A 1 117 ? -7.475 1.293 -20.823 1.0 95.97 ? 117 ASP A CG 1 P00221 UNP 117 D +ATOM 852 O OD1 . ASP A 1 117 ? -6.917 2.320 -21.273 1.0 95.97 ? 117 ASP A OD1 1 P00221 UNP 117 D +ATOM 853 O OD2 . ASP A 1 117 ? -7.742 0.304 -21.550 1.0 95.97 ? 117 ASP A OD2 1 P00221 UNP 117 D +ATOM 854 N N . GLN A 1 118 ? -7.733 1.243 -16.167 1.0 95.95 ? 118 GLN A N 1 P00221 UNP 118 Q +ATOM 855 C CA . GLN A 1 118 ? -8.296 1.236 -14.820 1.0 95.95 ? 118 GLN A CA 1 P00221 UNP 118 Q +ATOM 856 C C . GLN A 1 118 ? -7.694 2.341 -13.938 1.0 95.95 ? 118 GLN A C 1 P00221 UNP 118 Q +ATOM 857 C CB . GLN A 1 118 ? -8.072 -0.139 -14.175 1.0 95.95 ? 118 GLN A CB 1 P00221 UNP 118 Q +ATOM 858 O O . GLN A 1 118 ? -8.418 3.018 -13.196 1.0 95.95 ? 118 GLN A O 1 P00221 UNP 118 Q +ATOM 859 C CG . GLN A 1 118 ? -8.974 -1.221 -14.782 1.0 95.95 ? 118 GLN A CG 1 P00221 UNP 118 Q +ATOM 860 C CD . GLN A 1 118 ? -8.649 -2.616 -14.256 1.0 95.95 ? 118 GLN A CD 1 P00221 UNP 118 Q +ATOM 861 N NE2 . GLN A 1 118 ? -9.591 -3.531 -14.310 1.0 95.95 ? 118 GLN A NE2 1 P00221 UNP 118 Q +ATOM 862 O OE1 . GLN A 1 118 ? -7.585 -2.911 -13.733 1.0 95.95 ? 118 GLN A OE1 1 P00221 UNP 118 Q +ATOM 863 N N . ILE A 1 119 ? -6.381 2.557 -14.014 1.0 95.94 ? 119 ILE A N 1 P00221 UNP 119 I +ATOM 864 C CA . ILE A 1 119 ? -5.715 3.648 -13.290 1.0 95.94 ? 119 ILE A CA 1 P00221 UNP 119 I +ATOM 865 C C . ILE A 1 119 ? -6.273 5.004 -13.743 1.0 95.94 ? 119 ILE A C 1 P00221 UNP 119 I +ATOM 866 C CB . ILE A 1 119 ? -4.185 3.555 -13.468 1.0 95.94 ? 119 ILE A CB 1 P00221 UNP 119 I +ATOM 867 O O . ILE A 1 119 ? -6.622 5.828 -12.893 1.0 95.94 ? 119 ILE A O 1 P00221 UNP 119 I +ATOM 868 C CG1 . ILE A 1 119 ? -3.648 2.296 -12.749 1.0 95.94 ? 119 ILE A CG1 1 P00221 UNP 119 I +ATOM 869 C CG2 . ILE A 1 119 ? -3.489 4.820 -12.927 1.0 95.94 ? 119 ILE A CG2 1 P00221 UNP 119 I +ATOM 870 C CD1 . ILE A 1 119 ? -2.194 1.970 -13.109 1.0 95.94 ? 119 ILE A CD1 1 P00221 UNP 119 I +ATOM 871 N N . ASP A 1 120 ? -6.433 5.212 -15.051 1.0 95.31 ? 120 ASP A N 1 P00221 UNP 120 D +ATOM 872 C CA . ASP A 1 120 ? -6.968 6.446 -15.636 1.0 95.31 ? 120 ASP A CA 1 P00221 UNP 120 D +ATOM 873 C C . ASP A 1 120 ? -8.439 6.689 -15.269 1.0 95.31 ? 120 ASP A C 1 P00221 UNP 120 D +ATOM 874 C CB . ASP A 1 120 ? -6.807 6.404 -17.167 1.0 95.31 ? 120 ASP A CB 1 P00221 UNP 120 D +ATOM 875 O O . ASP A 1 120 ? -8.857 7.827 -15.036 1.0 95.31 ? 120 ASP A O 1 P00221 UNP 120 D +ATOM 876 C CG . ASP A 1 120 ? -5.413 6.806 -17.671 1.0 95.31 ? 120 ASP A CG 1 P00221 UNP 120 D +ATOM 877 O OD1 . ASP A 1 120 ? -4.601 7.318 -16.863 1.0 95.31 ? 120 ASP A OD1 1 P00221 UNP 120 D +ATOM 878 O OD2 . ASP A 1 120 ? -5.219 6.767 -18.908 1.0 95.31 ? 120 ASP A OD2 1 P00221 UNP 120 D +ATOM 879 N N . GLU A 1 121 ? -9.235 5.628 -15.130 1.0 95.80 ? 121 GLU A N 1 P00221 UNP 121 E +ATOM 880 C CA . GLU A 1 121 ? -10.590 5.729 -14.590 1.0 95.80 ? 121 GLU A CA 1 P00221 UNP 121 E +ATOM 881 C C . GLU A 1 121 ? -10.610 6.136 -13.105 1.0 95.80 ? 121 GLU A C 1 P00221 UNP 121 E +ATOM 882 C CB . GLU A 1 121 ? -11.328 4.398 -14.751 1.0 95.80 ? 121 GLU A CB 1 P00221 UNP 121 E +ATOM 883 O O . GLU A 1 121 ? -11.679 6.453 -12.576 1.0 95.80 ? 121 GLU A O 1 P00221 UNP 121 E +ATOM 884 C CG . GLU A 1 121 ? -11.754 4.046 -16.178 1.0 95.80 ? 121 GLU A CG 1 P00221 UNP 121 E +ATOM 885 C CD . GLU A 1 121 ? -12.500 2.701 -16.216 1.0 95.80 ? 121 GLU A CD 1 P00221 UNP 121 E +ATOM 886 O OE1 . GLU A 1 121 ? -12.871 2.292 -17.337 1.0 95.80 ? 121 GLU A OE1 1 P00221 UNP 121 E +ATOM 887 O OE2 . GLU A 1 121 ? -12.804 2.158 -15.117 1.0 95.80 ? 121 GLU A OE2 1 P00221 UNP 121 E +ATOM 888 N N . GLY A 1 122 ? -9.472 6.089 -12.407 1.0 96.68 ? 122 GLY A N 1 P00221 UNP 122 G +ATOM 889 C CA . GLY A 1 122 ? -9.322 6.431 -10.994 1.0 96.68 ? 122 GLY A CA 1 P00221 UNP 122 G +ATOM 890 C C . GLY A 1 122 ? -9.406 5.234 -10.048 1.0 96.68 ? 122 GLY A C 1 P00221 UNP 122 G +ATOM 891 O O . GLY A 1 122 ? -9.763 5.408 -8.883 1.0 96.68 ? 122 GLY A O 1 P00221 UNP 122 G +ATOM 892 N N . TRP A 1 123 ? -9.153 4.012 -10.521 1.0 97.54 ? 123 TRP A N 1 P00221 UNP 123 W +ATOM 893 C CA . TRP A 1 123 ? -8.994 2.858 -9.633 1.0 97.54 ? 123 TRP A CA 1 P00221 UNP 123 W +ATOM 894 C C . TRP A 1 123 ? -7.672 2.934 -8.869 1.0 97.54 ? 123 TRP A C 1 P00221 UNP 123 W +ATOM 895 C CB . TRP A 1 123 ? -9.129 1.551 -10.415 1.0 97.54 ? 123 TRP A CB 1 P00221 UNP 123 W +ATOM 896 O O . TRP A 1 123 ? -6.649 3.372 -9.397 1.0 97.54 ? 123 TRP A O 1 P00221 UNP 123 W +ATOM 897 C CG . TRP A 1 123 ? -10.508 1.316 -10.946 1.0 97.54 ? 123 TRP A CG 1 P00221 UNP 123 W +ATOM 898 C CD1 . TRP A 1 123 ? -10.933 1.429 -12.224 1.0 97.54 ? 123 TRP A CD1 1 P00221 UNP 123 W +ATOM 899 C CD2 . TRP A 1 123 ? -11.663 0.864 -10.196 1.0 97.54 ? 123 TRP A CD2 1 P00221 UNP 123 W +ATOM 900 C CE2 . TRP A 1 123 ? -12.768 0.728 -11.092 1.0 97.54 ? 123 TRP A CE2 1 P00221 UNP 123 W +ATOM 901 C CE3 . TRP A 1 123 ? -11.848 0.503 -8.847 1.0 97.54 ? 123 TRP A CE3 1 P00221 UNP 123 W +ATOM 902 N NE1 . TRP A 1 123 ? -12.268 1.104 -12.322 1.0 97.54 ? 123 TRP A NE1 1 P00221 UNP 123 W +ATOM 903 C CH2 . TRP A 1 123 ? -14.168 -0.071 -9.301 1.0 97.54 ? 123 TRP A CH2 1 P00221 UNP 123 W +ATOM 904 C CZ2 . TRP A 1 123 ? -14.017 0.281 -10.651 1.0 97.54 ? 123 TRP A CZ2 1 P00221 UNP 123 W +ATOM 905 C CZ3 . TRP A 1 123 ? -13.088 0.024 -8.408 1.0 97.54 ? 123 TRP A CZ3 1 P00221 UNP 123 W +ATOM 906 N N . VAL A 1 124 ? -7.702 2.521 -7.603 1.0 97.69 ? 124 VAL A N 1 P00221 UNP 124 V +ATOM 907 C CA . VAL A 1 124 ? -6.526 2.522 -6.731 1.0 97.69 ? 124 VAL A CA 1 P00221 UNP 124 V +ATOM 908 C C . VAL A 1 124 ? -6.454 1.262 -5.883 1.0 97.69 ? 124 VAL A C 1 P00221 UNP 124 V +ATOM 909 C CB . VAL A 1 124 ? -6.448 3.804 -5.877 1.0 97.69 ? 124 VAL A CB 1 P00221 UNP 124 V +ATOM 910 O O . VAL A 1 124 ? -7.473 0.789 -5.379 1.0 97.69 ? 124 VAL A O 1 P00221 UNP 124 V +ATOM 911 C CG1 . VAL A 1 124 ? -7.683 4.047 -4.996 1.0 97.69 ? 124 VAL A CG1 1 P00221 UNP 124 V +ATOM 912 C CG2 . VAL A 1 124 ? -5.210 3.798 -4.974 1.0 97.69 ? 124 VAL A CG2 1 P00221 UNP 124 V +ATOM 913 N N . LEU A 1 125 ? -5.241 0.754 -5.667 1.0 97.68 ? 125 LEU A N 1 P00221 UNP 125 L +ATOM 914 C CA . LEU A 1 125 ? -4.957 -0.262 -4.655 1.0 97.68 ? 125 LEU A CA 1 P00221 UNP 125 L +ATOM 915 C C . LEU A 1 125 ? -4.387 0.384 -3.389 1.0 97.68 ? 125 LEU A C 1 P00221 UNP 125 L +ATOM 916 C CB . LEU A 1 125 ? -4.015 -1.318 -5.253 1.0 97.68 ? 125 LEU A CB 1 P00221 UNP 125 L +ATOM 917 O O . LEU A 1 125 ? -3.219 0.760 -3.345 1.0 97.68 ? 125 LEU A O 1 P00221 UNP 125 L +ATOM 918 C CG . LEU A 1 125 ? -4.623 -2.132 -6.411 1.0 97.68 ? 125 LEU A CG 1 P00221 UNP 125 L +ATOM 919 C CD1 . LEU A 1 125 ? -3.751 -3.353 -6.675 1.0 97.68 ? 125 LEU A CD1 1 P00221 UNP 125 L +ATOM 920 C CD2 . LEU A 1 125 ? -6.037 -2.660 -6.139 1.0 97.68 ? 125 LEU A CD2 1 P00221 UNP 125 L +ATOM 921 N N . THR A 1 126 ? -5.194 0.488 -2.327 1.0 97.06 ? 126 THR A N 1 P00221 UNP 126 T +ATOM 922 C CA . THR A 1 126 ? -4.805 1.192 -1.084 1.0 97.06 ? 126 THR A CA 1 P00221 UNP 126 T +ATOM 923 C C . THR A 1 126 ? -3.589 0.575 -0.390 1.0 97.06 ? 126 THR A C 1 P00221 UNP 126 T +ATOM 924 C CB . THR A 1 126 ? -5.959 1.229 -0.072 1.0 97.06 ? 126 THR A CB 1 P00221 UNP 126 T +ATOM 925 O O . THR A 1 126 ? -2.879 1.260 0.343 1.0 97.06 ? 126 THR A O 1 P00221 UNP 126 T +ATOM 926 C CG2 . THR A 1 126 ? -7.185 1.967 -0.612 1.0 97.06 ? 126 THR A CG2 1 P00221 UNP 126 T +ATOM 927 O OG1 . THR A 1 126 ? -6.354 -0.084 0.255 1.0 97.06 ? 126 THR A OG1 1 P00221 UNP 126 T +ATOM 928 N N . CYS A 1 127 ? -3.331 -0.709 -0.647 1.0 97.42 ? 127 CYS A N 1 P00221 UNP 127 C +ATOM 929 C CA . CYS A 1 127 ? -2.204 -1.459 -0.111 1.0 97.42 ? 127 CYS A CA 1 P00221 UNP 127 C +ATOM 930 C C . CYS A 1 127 ? -0.864 -1.216 -0.823 1.0 97.42 ? 127 CYS A C 1 P00221 UNP 127 C +ATOM 931 C CB . CYS A 1 127 ? -2.584 -2.945 -0.063 1.0 97.42 ? 127 CYS A CB 1 P00221 UNP 127 C +ATOM 932 O O . CYS A 1 127 ? 0.151 -1.718 -0.353 1.0 97.42 ? 127 CYS A O 1 P00221 UNP 127 C +ATOM 933 S SG . CYS A 1 127 ? -3.025 -3.847 -1.584 1.0 97.42 ? 127 CYS A SG 1 P00221 UNP 127 C +ATOM 934 N N . ALA A 1 128 ? -0.858 -0.487 -1.940 1.0 97.30 ? 128 ALA A N 1 P00221 UNP 128 A +ATOM 935 C CA . ALA A 1 128 ? 0.342 -0.134 -2.701 1.0 97.30 ? 128 ALA A CA 1 P00221 UNP 128 A +ATOM 936 C C . ALA A 1 128 ? 0.251 1.307 -3.243 1.0 97.30 ? 128 ALA A C 1 P00221 UNP 128 A +ATOM 937 C CB . ALA A 1 128 ? 0.563 -1.184 -3.800 1.0 97.30 ? 128 ALA A CB 1 P00221 UNP 128 A +ATOM 938 O O . ALA A 1 128 ? 0.688 1.587 -4.356 1.0 97.30 ? 128 ALA A O 1 P00221 UNP 128 A +ATOM 939 N N . ALA A 1 129 ? -0.375 2.209 -2.478 1.0 97.44 ? 129 ALA A N 1 P00221 UNP 129 A +ATOM 940 C CA . ALA A 1 129 ? -0.588 3.601 -2.863 1.0 97.44 ? 129 ALA A CA 1 P00221 UNP 129 A +ATOM 941 C C . ALA A 1 129 ? -0.025 4.568 -1.815 1.0 97.44 ? 129 ALA A C 1 P00221 UNP 129 A +ATOM 942 C CB . ALA A 1 129 ? -2.084 3.835 -3.097 1.0 97.44 ? 129 ALA A CB 1 P00221 UNP 129 A +ATOM 943 O O . ALA A 1 129 ? -0.355 4.454 -0.633 1.0 97.44 ? 129 ALA A O 1 P00221 UNP 129 A +ATOM 944 N N . TYR A 1 130 ? 0.757 5.545 -2.273 1.0 97.59 ? 130 TYR A N 1 P00221 UNP 130 Y +ATOM 945 C CA . TYR A 1 130 ? 1.282 6.666 -1.493 1.0 97.59 ? 130 TYR A CA 1 P00221 UNP 130 Y +ATOM 946 C C . TYR A 1 130 ? 0.526 7.955 -1.831 1.0 97.59 ? 130 TYR A C 1 P00221 UNP 130 Y +ATOM 947 C CB . TYR A 1 130 ? 2.766 6.887 -1.792 1.0 97.59 ? 130 TYR A CB 1 P00221 UNP 130 Y +ATOM 948 O O . TYR A 1 130 ? 0.332 8.262 -3.014 1.0 97.59 ? 130 TYR A O 1 P00221 UNP 130 Y +ATOM 949 C CG . TYR A 1 130 ? 3.642 5.689 -1.525 1.0 97.59 ? 130 TYR A CG 1 P00221 UNP 130 Y +ATOM 950 C CD1 . TYR A 1 130 ? 4.092 5.418 -0.220 1.0 97.59 ? 130 TYR A CD1 1 P00221 UNP 130 Y +ATOM 951 C CD2 . TYR A 1 130 ? 4.018 4.858 -2.593 1.0 97.59 ? 130 TYR A CD2 1 P00221 UNP 130 Y +ATOM 952 C CE1 . TYR A 1 130 ? 4.939 4.315 0.018 1.0 97.59 ? 130 TYR A CE1 1 P00221 UNP 130 Y +ATOM 953 C CE2 . TYR A 1 130 ? 4.871 3.771 -2.360 1.0 97.59 ? 130 TYR A CE2 1 P00221 UNP 130 Y +ATOM 954 O OH . TYR A 1 130 ? 6.175 2.438 -0.877 1.0 97.59 ? 130 TYR A OH 1 P00221 UNP 130 Y +ATOM 955 C CZ . TYR A 1 130 ? 5.341 3.495 -1.060 1.0 97.59 ? 130 TYR A CZ 1 P00221 UNP 130 Y +ATOM 956 N N . PRO A 1 131 ? 0.116 8.759 -0.840 1.0 97.30 ? 131 PRO A N 1 P00221 UNP 131 P +ATOM 957 C CA . PRO A 1 131 ? -0.506 10.047 -1.109 1.0 97.30 ? 131 PRO A CA 1 P00221 UNP 131 P +ATOM 958 C C . PRO A 1 131 ? 0.539 11.065 -1.596 1.0 97.30 ? 131 PRO A C 1 P00221 UNP 131 P +ATOM 959 C CB . PRO A 1 131 ? -1.145 10.449 0.217 1.0 97.30 ? 131 PRO A CB 1 P00221 UNP 131 P +ATOM 960 O O . PRO A 1 131 ? 1.600 11.222 -1.000 1.0 97.30 ? 131 PRO A O 1 P00221 UNP 131 P +ATOM 961 C CG . PRO A 1 131 ? -0.204 9.834 1.255 1.0 97.30 ? 131 PRO A CG 1 P00221 UNP 131 P +ATOM 962 C CD . PRO A 1 131 ? 0.289 8.550 0.593 1.0 97.30 ? 131 PRO A CD 1 P00221 UNP 131 P +ATOM 963 N N . VAL A 1 132 ? 0.222 11.798 -2.668 1.0 96.81 ? 132 VAL A N 1 P00221 UNP 132 V +ATOM 964 C CA . VAL A 1 132 ? 1.050 12.914 -3.184 1.0 96.81 ? 132 VAL A CA 1 P00221 UNP 132 V +ATOM 965 C C . VAL A 1 132 ? 0.378 14.270 -2.919 1.0 96.81 ? 132 VAL A C 1 P00221 UNP 132 V +ATOM 966 C CB . VAL A 1 132 ? 1.374 12.695 -4.679 1.0 96.81 ? 132 VAL A CB 1 P00221 UNP 132 V +ATOM 967 O O . VAL A 1 132 ? 0.996 15.328 -3.028 1.0 96.81 ? 132 VAL A O 1 P00221 UNP 132 V +ATOM 968 C CG1 . VAL A 1 132 ? 2.296 13.775 -5.265 1.0 96.81 ? 132 VAL A CG1 1 P00221 UNP 132 V +ATOM 969 C CG2 . VAL A 1 132 ? 2.081 11.350 -4.904 1.0 96.81 ? 132 VAL A CG2 1 P00221 UNP 132 V +ATOM 970 N N . SER A 1 133 ? -0.902 14.247 -2.553 1.0 97.27 ? 133 SER A N 1 P00221 UNP 133 S +ATOM 971 C CA . SER A 1 133 ? -1.684 15.384 -2.082 1.0 97.27 ? 133 SER A CA 1 P00221 UNP 133 S +ATOM 972 C C . SER A 1 133 ? -2.727 14.906 -1.075 1.0 97.27 ? 133 SER A C 1 P00221 UNP 133 S +ATOM 973 C CB . SER A 1 133 ? -2.367 16.078 -3.271 1.0 97.27 ? 133 SER A CB 1 P00221 UNP 133 S +ATOM 974 O O . SER A 1 133 ? -2.875 13.706 -0.846 1.0 97.27 ? 133 SER A O 1 P00221 UNP 133 S +ATOM 975 O OG . SER A 1 133 ? -3.466 15.337 -3.781 1.0 97.27 ? 133 SER A OG 1 P00221 UNP 133 S +ATOM 976 N N . ASP A 1 134 ? -3.532 15.828 -0.547 1.0 97.85 ? 134 ASP A N 1 P00221 UNP 134 D +ATOM 977 C CA . ASP A 1 134 ? -4.774 15.451 0.127 1.0 97.85 ? 134 ASP A CA 1 P00221 UNP 134 D +ATOM 978 C C . ASP A 1 134 ? -5.661 14.666 -0.852 1.0 97.85 ? 134 ASP A C 1 P00221 UNP 134 D +ATOM 979 C CB . ASP A 1 134 ? -5.511 16.692 0.653 1.0 97.85 ? 134 ASP A CB 1 P00221 UNP 134 D +ATOM 980 O O . ASP A 1 134 ? -5.862 15.101 -1.993 1.0 97.85 ? 134 ASP A O 1 P00221 UNP 134 D +ATOM 981 C CG . ASP A 1 134 ? -4.764 17.462 1.748 1.0 97.85 ? 134 ASP A CG 1 P00221 UNP 134 D +ATOM 982 O OD1 . ASP A 1 134 ? -3.760 16.944 2.289 1.0 97.85 ? 134 ASP A OD1 1 P00221 UNP 134 D +ATOM 983 O OD2 . ASP A 1 134 ? -5.228 18.582 2.059 1.0 97.85 ? 134 ASP A OD2 1 P00221 UNP 134 D +ATOM 984 N N . VAL A 1 135 ? -6.160 13.504 -0.425 1.0 98.07 ? 135 VAL A N 1 P00221 UNP 135 V +ATOM 985 C CA . VAL A 1 135 ? -6.908 12.562 -1.274 1.0 98.07 ? 135 VAL A CA 1 P00221 UNP 135 V +ATOM 986 C C . VAL A 1 135 ? -8.220 12.141 -0.627 1.0 98.07 ? 135 VAL A C 1 P00221 UNP 135 V +ATOM 987 C CB . VAL A 1 135 ? -6.091 11.312 -1.675 1.0 98.07 ? 135 VAL A CB 1 P00221 UNP 135 V +ATOM 988 O O . VAL A 1 135 ? -8.335 12.030 0.594 1.0 98.07 ? 135 VAL A O 1 P00221 UNP 135 V +ATOM 989 C CG1 . VAL A 1 135 ? -5.014 11.631 -2.711 1.0 98.07 ? 135 VAL A CG1 1 P00221 UNP 135 V +ATOM 990 C CG2 . VAL A 1 135 ? -5.441 10.610 -0.483 1.0 98.07 ? 135 VAL A CG2 1 P00221 UNP 135 V +ATOM 991 N N . THR A 1 136 ? -9.223 11.870 -1.461 1.0 98.25 ? 136 THR A N 1 P00221 UNP 136 T +ATOM 992 C CA . THR A 1 136 ? -10.474 11.218 -1.045 1.0 98.25 ? 136 THR A CA 1 P00221 UNP 136 T +ATOM 993 C C . THR A 1 136 ? -10.658 9.925 -1.824 1.0 98.25 ? 136 THR A C 1 P00221 UNP 136 T +ATOM 994 C CB . THR A 1 136 ? -11.687 12.134 -1.231 1.0 98.25 ? 136 THR A CB 1 P00221 UNP 136 T +ATOM 995 O O . THR A 1 136 ? -10.713 9.961 -3.053 1.0 98.25 ? 136 THR A O 1 P00221 UNP 136 T +ATOM 996 C CG2 . THR A 1 136 ? -12.981 11.516 -0.704 1.0 98.25 ? 136 THR A CG2 1 P00221 UNP 136 T +ATOM 997 O OG1 . THR A 1 136 ? -11.481 13.335 -0.524 1.0 98.25 ? 136 THR A OG1 1 P00221 UNP 136 T +ATOM 998 N N . ILE A 1 137 ? -10.770 8.794 -1.127 1.0 98.15 ? 137 ILE A N 1 P00221 UNP 137 I +ATOM 999 C CA . ILE A 1 137 ? -10.848 7.453 -1.721 1.0 98.15 ? 137 ILE A CA 1 P00221 UNP 137 I +ATOM 1000 C C . ILE A 1 137 ? -12.115 6.751 -1.223 1.0 98.15 ? 137 ILE A C 1 P00221 UNP 137 I +ATOM 1001 C CB . ILE A 1 137 ? -9.566 6.638 -1.412 1.0 98.15 ? 137 ILE A CB 1 P00221 UNP 137 I +ATOM 1002 O O . ILE A 1 137 ? -12.339 6.636 -0.019 1.0 98.15 ? 137 ILE A O 1 P00221 UNP 137 I +ATOM 1003 C CG1 . ILE A 1 137 ? -8.301 7.361 -1.938 1.0 98.15 ? 137 ILE A CG1 1 P00221 UNP 137 I +ATOM 1004 C CG2 . ILE A 1 137 ? -9.665 5.225 -2.021 1.0 98.15 ? 137 ILE A CG2 1 P00221 UNP 137 I +ATOM 1005 C CD1 . ILE A 1 137 ? -6.979 6.732 -1.486 1.0 98.15 ? 137 ILE A CD1 1 P00221 UNP 137 I +ATOM 1006 N N . GLU A 1 138 ? -12.942 6.256 -2.141 1.0 97.71 ? 138 GLU A N 1 P00221 UNP 138 E +ATOM 1007 C CA . GLU A 1 138 ? -13.987 5.281 -1.814 1.0 97.71 ? 138 GLU A CA 1 P00221 UNP 138 E +ATOM 1008 C C . GLU A 1 138 ? -13.362 3.901 -1.649 1.0 97.71 ? 138 GLU A C 1 P00221 UNP 138 E +ATOM 1009 C CB . GLU A 1 138 ? -15.074 5.228 -2.894 1.0 97.71 ? 138 GLU A CB 1 P00221 UNP 138 E +ATOM 1010 O O . GLU A 1 138 ? -12.675 3.424 -2.547 1.0 97.71 ? 138 GLU A O 1 P00221 UNP 138 E +ATOM 1011 C CG . GLU A 1 138 ? -16.048 6.406 -2.812 1.0 97.71 ? 138 GLU A CG 1 P00221 UNP 138 E +ATOM 1012 C CD . GLU A 1 138 ? -17.186 6.332 -3.843 1.0 97.71 ? 138 GLU A CD 1 P00221 UNP 138 E +ATOM 1013 O OE1 . GLU A 1 138 ? -18.056 7.229 -3.819 1.0 97.71 ? 138 GLU A OE1 1 P00221 UNP 138 E +ATOM 1014 O OE2 . GLU A 1 138 ? -17.132 5.539 -4.811 1.0 97.71 ? 138 GLU A OE2 1 P00221 UNP 138 E +ATOM 1015 N N . THR A 1 139 ? -13.601 3.255 -0.514 1.0 97.28 ? 139 THR A N 1 P00221 UNP 139 T +ATOM 1016 C CA . THR A 1 139 ? -13.034 1.937 -0.204 1.0 97.28 ? 139 THR A CA 1 P00221 UNP 139 T +ATOM 1017 C C . THR A 1 139 ? -14.076 0.835 -0.396 1.0 97.28 ? 139 THR A C 1 P00221 UNP 139 T +ATOM 1018 C CB . THR A 1 139 ? -12.429 1.934 1.206 1.0 97.28 ? 139 THR A CB 1 P00221 UNP 139 T +ATOM 1019 O O . THR A 1 139 ? -15.247 1.124 -0.642 1.0 97.28 ? 139 THR A O 1 P00221 UNP 139 T +ATOM 1020 C CG2 . THR A 1 139 ? -11.402 3.054 1.384 1.0 97.28 ? 139 THR A CG2 1 P00221 UNP 139 T +ATOM 1021 O OG1 . THR A 1 139 ? -13.421 2.119 2.185 1.0 97.28 ? 139 THR A OG1 1 P00221 UNP 139 T +ATOM 1022 N N . HIS A 1 140 ? -13.661 -0.432 -0.277 1.0 96.39 ? 140 HIS A N 1 P00221 UNP 140 H +ATOM 1023 C CA . HIS A 1 140 ? -14.538 -1.603 -0.441 1.0 96.39 ? 140 HIS A CA 1 P00221 UNP 140 H +ATOM 1024 C C . HIS A 1 140 ? -15.145 -1.709 -1.851 1.0 96.39 ? 140 HIS A C 1 P00221 UNP 140 H +ATOM 1025 C CB . HIS A 1 140 ? -15.606 -1.662 0.670 1.0 96.39 ? 140 HIS A CB 1 P00221 UNP 140 H +ATOM 1026 O O . HIS A 1 140 ? -16.324 -2.018 -2.011 1.0 96.39 ? 140 HIS A O 1 P00221 UNP 140 H +ATOM 1027 C CG . HIS A 1 140 ? -15.077 -1.596 2.078 1.0 96.39 ? 140 HIS A CG 1 P00221 UNP 140 H +ATOM 1028 C CD2 . HIS A 1 140 ? -15.161 -2.594 3.008 1.0 96.39 ? 140 HIS A CD2 1 P00221 UNP 140 H +ATOM 1029 N ND1 . HIS A 1 140 ? -14.502 -0.509 2.702 1.0 96.39 ? 140 HIS A ND1 1 P00221 UNP 140 H +ATOM 1030 C CE1 . HIS A 1 140 ? -14.233 -0.849 3.973 1.0 96.39 ? 140 HIS A CE1 1 P00221 UNP 140 H +ATOM 1031 N NE2 . HIS A 1 140 ? -14.637 -2.104 4.205 1.0 96.39 ? 140 HIS A NE2 1 P00221 UNP 140 H +ATOM 1032 N N . LYS A 1 141 ? -14.343 -1.427 -2.885 1.0 96.60 ? 141 LYS A N 1 P00221 UNP 141 K +ATOM 1033 C CA . LYS A 1 141 ? -14.799 -1.389 -4.283 1.0 96.60 ? 141 LYS A CA 1 P00221 UNP 141 K +ATOM 1034 C C . LYS A 1 141 ? -14.374 -2.602 -5.115 1.0 96.60 ? 141 LYS A C 1 P00221 UNP 141 K +ATOM 1035 C CB . LYS A 1 141 ? -14.393 -0.053 -4.928 1.0 96.60 ? 141 LYS A CB 1 P00221 UNP 141 K +ATOM 1036 O O . LYS A 1 141 ? -14.487 -2.563 -6.334 1.0 96.60 ? 141 LYS A O 1 P00221 UNP 141 K +ATOM 1037 C CG . LYS A 1 141 ? -14.998 1.193 -4.269 1.0 96.60 ? 141 LYS A CG 1 P00221 UNP 141 K +ATOM 1038 C CD . LYS A 1 141 ? -16.530 1.125 -4.307 1.0 96.60 ? 141 LYS A CD 1 P00221 UNP 141 K +ATOM 1039 C CE . LYS A 1 141 ? -17.134 2.518 -4.171 1.0 96.60 ? 141 LYS A CE 1 P00221 UNP 141 K +ATOM 1040 N NZ . LYS A 1 141 ? -18.414 2.601 -4.901 1.0 96.60 ? 141 LYS A NZ 1 P00221 UNP 141 K +ATOM 1041 N N . GLU A 1 142 ? -13.924 -3.684 -4.479 1.0 96.32 ? 142 GLU A N 1 P00221 UNP 142 E +ATOM 1042 C CA . GLU A 1 142 ? -13.527 -4.922 -5.170 1.0 96.32 ? 142 GLU A CA 1 P00221 UNP 142 E +ATOM 1043 C C . GLU A 1 142 ? -14.646 -5.481 -6.065 1.0 96.32 ? 142 GLU A C 1 P00221 UNP 142 E +ATOM 1044 C CB . GLU A 1 142 ? -13.081 -5.962 -4.127 1.0 96.32 ? 142 GLU A CB 1 P00221 UNP 142 E +ATOM 1045 O O . GLU A 1 142 ? -14.396 -5.836 -7.216 1.0 96.32 ? 142 GLU A O 1 P00221 UNP 142 E +ATOM 1046 C CG . GLU A 1 142 ? -12.740 -7.315 -4.775 1.0 96.32 ? 142 GLU A CG 1 P00221 UNP 142 E +ATOM 1047 C CD . GLU A 1 142 ? -11.996 -8.269 -3.833 1.0 96.32 ? 142 GLU A CD 1 P00221 UNP 142 E +ATOM 1048 O OE1 . GLU A 1 142 ? -11.043 -8.932 -4.314 1.0 96.32 ? 142 GLU A OE1 1 P00221 UNP 142 E +ATOM 1049 O OE2 . GLU A 1 142 ? -12.308 -8.303 -2.623 1.0 96.32 ? 142 GLU A OE2 1 P00221 UNP 142 E +ATOM 1050 N N . GLU A 1 143 ? -15.886 -5.507 -5.571 1.0 94.50 ? 143 GLU A N 1 P00221 UNP 143 E +ATOM 1051 C CA . GLU A 1 143 ? -17.037 -5.992 -6.344 1.0 94.50 ? 143 GLU A CA 1 P00221 UNP 143 E +ATOM 1052 C C . GLU A 1 143 ? -17.321 -5.120 -7.574 1.0 94.50 ? 143 GLU A C 1 P00221 UNP 143 E +ATOM 1053 C CB . GLU A 1 143 ? -18.293 -6.039 -5.459 1.0 94.50 ? 143 GLU A CB 1 P00221 UNP 143 E +ATOM 1054 O O . GLU A 1 143 ? -17.719 -5.636 -8.608 1.0 94.50 ? 143 GLU A O 1 P00221 UNP 143 E +ATOM 1055 C CG . GLU A 1 143 ? -18.186 -7.036 -4.293 1.0 94.50 ? 143 GLU A CG 1 P00221 UNP 143 E +ATOM 1056 C CD . GLU A 1 143 ? -19.479 -7.151 -3.462 1.0 94.50 ? 143 GLU A CD 1 P00221 UNP 143 E +ATOM 1057 O OE1 . GLU A 1 143 ? -19.496 -7.995 -2.535 1.0 94.50 ? 143 GLU A OE1 1 P00221 UNP 143 E +ATOM 1058 O OE2 . GLU A 1 143 ? -20.454 -6.411 -3.736 1.0 94.50 ? 143 GLU A OE2 1 P00221 UNP 143 E +ATOM 1059 N N . GLU A 1 144 ? -17.087 -3.807 -7.491 1.0 94.46 ? 144 GLU A N 1 P00221 UNP 144 E +ATOM 1060 C CA . GLU A 1 144 ? -17.305 -2.878 -8.607 1.0 94.46 ? 144 GLU A CA 1 P00221 UNP 144 E +ATOM 1061 C C . GLU A 1 144 ? -16.183 -2.972 -9.654 1.0 94.46 ? 144 GLU A C 1 P00221 UNP 144 E +ATOM 1062 C CB . GLU A 1 144 ? -17.495 -1.458 -8.031 1.0 94.46 ? 144 GLU A CB 1 P00221 UNP 144 E +ATOM 1063 O O . GLU A 1 144 ? -16.438 -2.761 -10.833 1.0 94.46 ? 144 GLU A O 1 P00221 UNP 144 E +ATOM 1064 C CG . GLU A 1 144 ? -17.913 -0.390 -9.064 1.0 94.46 ? 144 GLU A CG 1 P00221 UNP 144 E +ATOM 1065 C CD . GLU A 1 144 ? -18.100 1.020 -8.460 1.0 94.46 ? 144 GLU A CD 1 P00221 UNP 144 E +ATOM 1066 O OE1 . GLU A 1 144 ? -18.119 2.007 -9.229 1.0 94.46 ? 144 GLU A OE1 1 P00221 UNP 144 E +ATOM 1067 O OE2 . GLU A 1 144 ? -18.266 1.162 -7.219 1.0 94.46 ? 144 GLU A OE2 1 P00221 UNP 144 E +ATOM 1068 N N . LEU A 1 145 ? -14.961 -3.332 -9.244 1.0 92.47 ? 145 LEU A N 1 P00221 UNP 145 L +ATOM 1069 C CA . LEU A 1 145 ? -13.836 -3.560 -10.158 1.0 92.47 ? 145 LEU A CA 1 P00221 UNP 145 L +ATOM 1070 C C . LEU A 1 145 ? -13.966 -4.881 -10.934 1.0 92.47 ? 145 LEU A C 1 P00221 UNP 145 L +ATOM 1071 C CB . LEU A 1 145 ? -12.540 -3.538 -9.326 1.0 92.47 ? 145 LEU A CB 1 P00221 UNP 145 L +ATOM 1072 O O . LEU A 1 145 ? -13.418 -5.020 -12.024 1.0 92.47 ? 145 LEU A O 1 P00221 UNP 145 L +ATOM 1073 C CG . LEU A 1 145 ? -11.241 -3.708 -10.137 1.0 92.47 ? 145 LEU A CG 1 P00221 UNP 145 L +ATOM 1074 C CD1 . LEU A 1 145 ? -11.015 -2.586 -11.148 1.0 92.47 ? 145 LEU A CD1 1 P00221 UNP 145 L +ATOM 1075 C CD2 . LEU A 1 145 ? -10.056 -3.706 -9.173 1.0 92.47 ? 145 LEU A CD2 1 P00221 UNP 145 L +ATOM 1076 N N . THR A 1 146 ? -14.643 -5.869 -10.347 1.0 89.15 ? 146 THR A N 1 P00221 UNP 146 T +ATOM 1077 C CA . THR A 1 146 ? -14.746 -7.238 -10.883 1.0 89.15 ? 146 THR A CA 1 P00221 UNP 146 T +ATOM 1078 C C . THR A 1 146 ? -16.092 -7.555 -11.542 1.0 89.15 ? 146 THR A C 1 P00221 UNP 146 T +ATOM 1079 C CB . THR A 1 146 ? -14.414 -8.279 -9.802 1.0 89.15 ? 146 THR A CB 1 P00221 UNP 146 T +ATOM 1080 O O . THR A 1 146 ? -16.254 -8.661 -12.066 1.0 89.15 ? 146 THR A O 1 P00221 UNP 146 T +ATOM 1081 C CG2 . THR A 1 146 ? -12.952 -8.206 -9.357 1.0 89.15 ? 146 THR A CG2 1 P00221 UNP 146 T +ATOM 1082 O OG1 . THR A 1 146 ? -15.195 -8.107 -8.642 1.0 89.15 ? 146 THR A OG1 1 P00221 UNP 146 T +ATOM 1083 N N . ALA A 1 147 ? -17.037 -6.611 -11.517 1.0 87.34 ? 147 ALA A N 1 P00221 UNP 147 A +ATOM 1084 C CA . ALA A 1 147 ? -18.352 -6.709 -12.156 1.0 87.34 ? 147 ALA A CA 1 P00221 UNP 147 A +ATOM 1085 C C . ALA A 1 147 ? -18.301 -6.389 -13.658 1.0 87.34 ? 147 ALA A C 1 P00221 UNP 147 A +ATOM 1086 C CB . ALA A 1 147 ? -19.326 -5.786 -11.410 1.0 87.34 ? 147 ALA A CB 1 P00221 UNP 147 A +ATOM 1087 O O . ALA A 1 147 ? -19.040 -7.071 -14.409 1.0 87.34 ? 147 ALA A O 1 P00221 UNP 147 A +ATOM 1088 O OXT . ALA A 1 147 ? -17.582 -5.437 -14.021 1.0 87.34 ? 147 ALA A OXT 1 P00221 UNP 147 A +# diff --git a/examples/AlphaFold/AF-P00221-F1-model_v4.pdb b/examples/AlphaFold/AF-P00221-F1-model_v4.pdb new file mode 100644 index 0000000..82570c2 --- /dev/null +++ b/examples/AlphaFold/AF-P00221-F1-model_v4.pdb @@ -0,0 +1,1149 @@ +HEADER 01-JUN-22 +TITLE ALPHAFOLD MONOMER V2.0 PREDICTION FOR FERREDOXIN-1, CHLOROPLASTIC +TITLE 2 (P00221) +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: FERREDOXIN-1, CHLOROPLASTIC; +COMPND 3 CHAIN: A +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: SPINACIA OLERACEA; +SOURCE 3 ORGANISM_TAXID: 3562 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH JOHN JUMPER, RICHARD EVANS, ALEXANDER PRITZEL, TIM GREEN, +REMARK 1 AUTH 2 MICHAEL FIGURNOV, OLAF RONNEBERGER, KATHRYN TUNYASUVUNAKOOL, +REMARK 1 AUTH 3 RUSS BATES, AUGUSTIN ZIDEK, ANNA POTAPENKO, ALEX BRIDGLAND, +REMARK 1 AUTH 4 CLEMENS MEYER, SIMON A A KOHL, ANDREW J BALLARD, +REMARK 1 AUTH 5 ANDREW COWIE, BERNARDINO ROMERA-PAREDES, STANISLAV NIKOLOV, +REMARK 1 AUTH 6 RISHUB JAIN, JONAS ADLER, TREVOR BACK, STIG PETERSEN, +REMARK 1 AUTH 7 DAVID REIMAN, ELLEN CLANCY, MICHAL ZIELINSKI, +REMARK 1 AUTH 8 MARTIN STEINEGGER, MICHALINA PACHOLSKA, TAMAS BERGHAMMER, +REMARK 1 AUTH 9 DAVID SILVER, ORIOL VINYALS, ANDREW W SENIOR, +REMARK 1 AUTH10 KORAY KAVUKCUOGLU, PUSHMEET KOHLI, DEMIS HASSABIS +REMARK 1 TITL HIGHLY ACCURATE PROTEIN STRUCTURE PREDICTION WITH ALPHAFOLD +REMARK 1 REF NATURE V. 596 583 2021 +REMARK 1 REFN ISSN 0028-0836 +REMARK 1 PMID 34265844 +REMARK 1 DOI 10.1038/s41586-021-03819-2 +REMARK 1 +REMARK 1 DISCLAIMERS +REMARK 1 ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE +REMARK 1 INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD +REMARK 1 BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY +REMARK 1 OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +REMARK 1 USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD +REMARK 1 PARTY. THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR +REMARK 1 PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT +REMARK 1 CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR +REMARK 1 ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. +DBREF XXXX A 1 147 UNP P00221 FER1_SPIOL 1 147 +SEQRES 1 A 147 MET ALA ALA THR THR THR THR MET MET GLY MET ALA THR +SEQRES 2 A 147 THR PHE VAL PRO LYS PRO GLN ALA PRO PRO MET MET ALA +SEQRES 3 A 147 ALA LEU PRO SER ASN THR GLY ARG SER LEU PHE GLY LEU +SEQRES 4 A 147 LYS THR GLY SER ARG GLY GLY ARG MET THR MET ALA ALA +SEQRES 5 A 147 TYR LYS VAL THR LEU VAL THR PRO THR GLY ASN VAL GLU +SEQRES 6 A 147 PHE GLN CYS PRO ASP ASP VAL TYR ILE LEU ASP ALA ALA +SEQRES 7 A 147 GLU GLU GLU GLY ILE ASP LEU PRO TYR SER CYS ARG ALA +SEQRES 8 A 147 GLY SER CYS SER SER CYS ALA GLY LYS LEU LYS THR GLY +SEQRES 9 A 147 SER LEU ASN GLN ASP ASP GLN SER PHE LEU ASP ASP ASP +SEQRES 10 A 147 GLN ILE ASP GLU GLY TRP VAL LEU THR CYS ALA ALA TYR +SEQRES 11 A 147 PRO VAL SER ASP VAL THR ILE GLU THR HIS LYS GLU GLU +SEQRES 12 A 147 GLU LEU THR ALA +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +MODEL 1 +ATOM 1 N MET A 1 -39.014 9.370 -46.392 1.00 56.42 N +ATOM 2 CA MET A 1 -38.101 9.939 -47.404 1.00 56.42 C +ATOM 3 C MET A 1 -37.586 11.272 -46.873 1.00 56.42 C +ATOM 4 CB MET A 1 -38.814 10.144 -48.758 1.00 56.42 C +ATOM 5 O MET A 1 -38.287 12.259 -47.001 1.00 56.42 O +ATOM 6 CG MET A 1 -39.336 8.853 -49.398 1.00 56.42 C +ATOM 7 SD MET A 1 -40.197 9.160 -50.960 1.00 56.42 S +ATOM 8 CE MET A 1 -40.798 7.495 -51.352 1.00 56.42 C +ATOM 9 N ALA A 2 -36.441 11.282 -46.191 1.00 52.97 N +ATOM 10 CA ALA A 2 -35.633 12.474 -45.908 1.00 52.97 C +ATOM 11 C ALA A 2 -34.298 11.969 -45.346 1.00 52.97 C +ATOM 12 CB ALA A 2 -36.323 13.418 -44.914 1.00 52.97 C +ATOM 13 O ALA A 2 -34.277 11.276 -44.333 1.00 52.97 O +ATOM 14 N ALA A 3 -33.226 12.210 -46.094 1.00 60.41 N +ATOM 15 CA ALA A 3 -31.889 11.705 -45.836 1.00 60.41 C +ATOM 16 C ALA A 3 -31.203 12.519 -44.731 1.00 60.41 C +ATOM 17 CB ALA A 3 -31.119 11.774 -47.162 1.00 60.41 C +ATOM 18 O ALA A 3 -31.166 13.746 -44.800 1.00 60.41 O +ATOM 19 N THR A 4 -30.639 11.836 -43.738 1.00 75.74 N +ATOM 20 CA THR A 4 -29.713 12.408 -42.759 1.00 75.74 C +ATOM 21 C THR A 4 -28.288 12.255 -43.286 1.00 75.74 C +ATOM 22 CB THR A 4 -29.885 11.755 -41.378 1.00 75.74 C +ATOM 23 O THR A 4 -27.767 11.154 -43.439 1.00 75.74 O +ATOM 24 CG2 THR A 4 -31.086 12.351 -40.643 1.00 75.74 C +ATOM 25 OG1 THR A 4 -30.133 10.370 -41.494 1.00 75.74 O +ATOM 26 N THR A 5 -27.675 13.384 -43.629 1.00 73.15 N +ATOM 27 CA THR A 5 -26.292 13.499 -44.093 1.00 73.15 C +ATOM 28 C THR A 5 -25.312 13.322 -42.938 1.00 73.15 C +ATOM 29 CB THR A 5 -26.068 14.866 -44.758 1.00 73.15 C +ATOM 30 O THR A 5 -25.357 14.052 -41.950 1.00 73.15 O +ATOM 31 CG2 THR A 5 -26.638 14.892 -46.177 1.00 73.15 C +ATOM 32 OG1 THR A 5 -26.727 15.872 -44.019 1.00 73.15 O +ATOM 33 N THR A 6 -24.420 12.351 -43.099 1.00 67.00 N +ATOM 34 CA THR A 6 -23.256 12.052 -42.263 1.00 67.00 C +ATOM 35 C THR A 6 -22.177 13.123 -42.448 1.00 67.00 C +ATOM 36 CB THR A 6 -22.698 10.685 -42.709 1.00 67.00 C +ATOM 37 O THR A 6 -21.684 13.305 -43.560 1.00 67.00 O +ATOM 38 CG2 THR A 6 -21.659 10.094 -41.760 1.00 67.00 C +ATOM 39 OG1 THR A 6 -23.744 9.744 -42.826 1.00 67.00 O +ATOM 40 N THR A 7 -21.772 13.797 -41.371 1.00 68.61 N +ATOM 41 CA THR A 7 -20.586 14.668 -41.358 1.00 68.61 C +ATOM 42 C THR A 7 -19.461 13.943 -40.633 1.00 68.61 C +ATOM 43 CB THR A 7 -20.860 16.037 -40.714 1.00 68.61 C +ATOM 44 O THR A 7 -19.570 13.644 -39.447 1.00 68.61 O +ATOM 45 CG2 THR A 7 -19.727 17.030 -40.983 1.00 68.61 C +ATOM 46 OG1 THR A 7 -22.024 16.606 -41.266 1.00 68.61 O +ATOM 47 N MET A 8 -18.394 13.636 -41.369 1.00 67.08 N +ATOM 48 CA MET A 8 -17.144 13.096 -40.846 1.00 67.08 C +ATOM 49 C MET A 8 -16.195 14.248 -40.479 1.00 67.08 C +ATOM 50 CB MET A 8 -16.487 12.177 -41.894 1.00 67.08 C +ATOM 51 O MET A 8 -15.835 15.048 -41.336 1.00 67.08 O +ATOM 52 CG MET A 8 -17.331 10.945 -42.243 1.00 67.08 C +ATOM 53 SD MET A 8 -16.394 9.671 -43.131 1.00 67.08 S +ATOM 54 CE MET A 8 -17.646 8.366 -43.244 1.00 67.08 C +ATOM 55 N MET A 9 -15.749 14.292 -39.227 1.00 67.60 N +ATOM 56 CA MET A 9 -14.502 14.928 -38.780 1.00 67.60 C +ATOM 57 C MET A 9 -13.861 13.880 -37.856 1.00 67.60 C +ATOM 58 CB MET A 9 -14.779 16.249 -38.030 1.00 67.60 C +ATOM 59 O MET A 9 -14.491 13.455 -36.899 1.00 67.60 O +ATOM 60 CG MET A 9 -14.778 17.512 -38.909 1.00 67.60 C +ATOM 61 SD MET A 9 -16.392 18.248 -39.302 1.00 67.60 S +ATOM 62 CE MET A 9 -15.832 19.839 -39.972 1.00 67.60 C +ATOM 63 N GLY A 10 -12.709 13.281 -38.147 1.00 61.80 N +ATOM 64 CA GLY A 10 -11.450 13.942 -38.472 1.00 61.80 C +ATOM 65 C GLY A 10 -10.628 14.061 -37.186 1.00 61.80 C +ATOM 66 O GLY A 10 -10.470 15.160 -36.672 1.00 61.80 O +ATOM 67 N MET A 11 -10.169 12.933 -36.630 1.00 68.90 N +ATOM 68 CA MET A 11 -9.299 12.907 -35.449 1.00 68.90 C +ATOM 69 C MET A 11 -7.849 12.748 -35.907 1.00 68.90 C +ATOM 70 CB MET A 11 -9.730 11.809 -34.464 1.00 68.90 C +ATOM 71 O MET A 11 -7.453 11.704 -36.420 1.00 68.90 O +ATOM 72 CG MET A 11 -11.105 12.118 -33.862 1.00 68.90 C +ATOM 73 SD MET A 11 -11.617 10.959 -32.571 1.00 68.90 S +ATOM 74 CE MET A 11 -13.085 11.820 -31.949 1.00 68.90 C +ATOM 75 N ALA A 12 -7.081 13.827 -35.776 1.00 61.95 N +ATOM 76 CA ALA A 12 -5.652 13.854 -36.038 1.00 61.95 C +ATOM 77 C ALA A 12 -4.907 13.176 -34.879 1.00 61.95 C +ATOM 78 CB ALA A 12 -5.228 15.317 -36.228 1.00 61.95 C +ATOM 79 O ALA A 12 -4.921 13.666 -33.754 1.00 61.95 O +ATOM 80 N THR A 13 -4.245 12.056 -35.156 1.00 68.99 N +ATOM 81 CA THR A 13 -3.341 11.386 -34.216 1.00 68.99 C +ATOM 82 C THR A 13 -1.956 12.025 -34.298 1.00 68.99 C +ATOM 83 CB THR A 13 -3.259 9.881 -34.519 1.00 68.99 C +ATOM 84 O THR A 13 -1.209 11.795 -35.252 1.00 68.99 O +ATOM 85 CG2 THR A 13 -4.580 9.169 -34.230 1.00 68.99 C +ATOM 86 OG1 THR A 13 -2.949 9.691 -35.883 1.00 68.99 O +ATOM 87 N THR A 14 -1.594 12.836 -33.308 1.00 70.93 N +ATOM 88 CA THR A 14 -0.216 13.297 -33.105 1.00 70.93 C +ATOM 89 C THR A 14 0.611 12.185 -32.464 1.00 70.93 C +ATOM 90 CB THR A 14 -0.162 14.578 -32.257 1.00 70.93 C +ATOM 91 O THR A 14 0.535 11.946 -31.263 1.00 70.93 O +ATOM 92 CG2 THR A 14 -0.412 15.813 -33.121 1.00 70.93 C +ATOM 93 OG1 THR A 14 -1.151 14.557 -31.254 1.00 70.93 O +ATOM 94 N PHE A 15 1.408 11.510 -33.290 1.00 65.35 N +ATOM 95 CA PHE A 15 2.501 10.634 -32.877 1.00 65.35 C +ATOM 96 C PHE A 15 3.608 11.463 -32.206 1.00 65.35 C +ATOM 97 CB PHE A 15 3.057 9.914 -34.122 1.00 65.35 C +ATOM 98 O PHE A 15 4.233 12.301 -32.856 1.00 65.35 O +ATOM 99 CG PHE A 15 2.510 8.521 -34.363 1.00 65.35 C +ATOM 100 CD1 PHE A 15 3.308 7.404 -34.051 1.00 65.35 C +ATOM 101 CD2 PHE A 15 1.222 8.331 -34.900 1.00 65.35 C +ATOM 102 CE1 PHE A 15 2.824 6.103 -34.272 1.00 65.35 C +ATOM 103 CE2 PHE A 15 0.737 7.028 -35.118 1.00 65.35 C +ATOM 104 CZ PHE A 15 1.538 5.915 -34.805 1.00 65.35 C +ATOM 105 N VAL A 16 3.879 11.206 -30.924 1.00 69.16 N +ATOM 106 CA VAL A 16 5.053 11.728 -30.209 1.00 69.16 C +ATOM 107 C VAL A 16 6.105 10.614 -30.129 1.00 69.16 C +ATOM 108 CB VAL A 16 4.685 12.247 -28.804 1.00 69.16 C +ATOM 109 O VAL A 16 5.853 9.591 -29.492 1.00 69.16 O +ATOM 110 CG1 VAL A 16 5.923 12.780 -28.066 1.00 69.16 C +ATOM 111 CG2 VAL A 16 3.664 13.390 -28.891 1.00 69.16 C +ATOM 112 N PRO A 17 7.283 10.760 -30.762 1.00 68.00 N +ATOM 113 CA PRO A 17 8.367 9.795 -30.622 1.00 68.00 C +ATOM 114 C PRO A 17 9.140 10.019 -29.310 1.00 68.00 C +ATOM 115 CB PRO A 17 9.225 9.974 -31.876 1.00 68.00 C +ATOM 116 O PRO A 17 9.602 11.122 -29.017 1.00 68.00 O +ATOM 117 CG PRO A 17 9.023 11.444 -32.246 1.00 68.00 C +ATOM 118 CD PRO A 17 7.616 11.776 -31.748 1.00 68.00 C +ATOM 119 N LYS A 18 9.303 8.946 -28.527 1.00 66.26 N +ATOM 120 CA LYS A 18 10.091 8.895 -27.284 1.00 66.26 C +ATOM 121 C LYS A 18 11.603 8.938 -27.597 1.00 66.26 C +ATOM 122 CB LYS A 18 9.671 7.623 -26.519 1.00 66.26 C +ATOM 123 O LYS A 18 12.047 8.200 -28.480 1.00 66.26 O +ATOM 124 CG LYS A 18 10.240 7.480 -25.097 1.00 66.26 C +ATOM 125 CD LYS A 18 9.583 6.288 -24.372 1.00 66.26 C +ATOM 126 CE LYS A 18 10.233 6.032 -23.003 1.00 66.26 C +ATOM 127 NZ LYS A 18 9.415 5.123 -22.151 1.00 66.26 N +ATOM 128 N PRO A 19 12.415 9.751 -26.894 1.00 67.49 N +ATOM 129 CA PRO A 19 13.861 9.796 -27.100 1.00 67.49 C +ATOM 130 C PRO A 19 14.553 8.556 -26.510 1.00 67.49 C +ATOM 131 CB PRO A 19 14.326 11.109 -26.464 1.00 67.49 C +ATOM 132 O PRO A 19 14.304 8.164 -25.370 1.00 67.49 O +ATOM 133 CG PRO A 19 13.292 11.364 -25.367 1.00 67.49 C +ATOM 134 CD PRO A 19 12.006 10.748 -25.916 1.00 67.49 C +ATOM 135 N GLN A 20 15.431 7.942 -27.305 1.00 60.48 N +ATOM 136 CA GLN A 20 16.304 6.832 -26.914 1.00 60.48 C +ATOM 137 C GLN A 20 17.501 7.354 -26.101 1.00 60.48 C +ATOM 138 CB GLN A 20 16.795 6.101 -28.179 1.00 60.48 C +ATOM 139 O GLN A 20 18.190 8.279 -26.531 1.00 60.48 O +ATOM 140 CG GLN A 20 15.684 5.314 -28.899 1.00 60.48 C +ATOM 141 CD GLN A 20 16.153 4.671 -30.206 1.00 60.48 C +ATOM 142 NE2 GLN A 20 15.459 3.669 -30.698 1.00 60.48 N +ATOM 143 OE1 GLN A 20 17.131 5.056 -30.823 1.00 60.48 O +ATOM 144 N ALA A 21 17.770 6.744 -24.944 1.00 63.79 N +ATOM 145 CA ALA A 21 18.982 6.983 -24.163 1.00 63.79 C +ATOM 146 C ALA A 21 20.168 6.174 -24.736 1.00 63.79 C +ATOM 147 CB ALA A 21 18.708 6.618 -22.698 1.00 63.79 C +ATOM 148 O ALA A 21 19.989 4.997 -25.060 1.00 63.79 O +ATOM 149 N PRO A 22 21.377 6.755 -24.859 1.00 69.72 N +ATOM 150 CA PRO A 22 22.566 6.021 -25.281 1.00 69.72 C +ATOM 151 C PRO A 22 23.206 5.223 -24.125 1.00 69.72 C +ATOM 152 CB PRO A 22 23.510 7.080 -25.849 1.00 69.72 C +ATOM 153 O PRO A 22 23.093 5.618 -22.961 1.00 69.72 O +ATOM 154 CG PRO A 22 23.172 8.319 -25.020 1.00 69.72 C +ATOM 155 CD PRO A 22 21.677 8.173 -24.730 1.00 69.72 C +ATOM 156 N PRO A 23 23.908 4.114 -24.428 1.00 54.38 N +ATOM 157 CA PRO A 23 24.531 3.259 -23.429 1.00 54.38 C +ATOM 158 C PRO A 23 25.875 3.820 -22.933 1.00 54.38 C +ATOM 159 CB PRO A 23 24.677 1.898 -24.119 1.00 54.38 C +ATOM 160 O PRO A 23 26.640 4.425 -23.680 1.00 54.38 O +ATOM 161 CG PRO A 23 24.928 2.278 -25.575 1.00 54.38 C +ATOM 162 CD PRO A 23 24.106 3.552 -25.758 1.00 54.38 C +ATOM 163 N MET A 24 26.130 3.557 -21.647 1.00 54.35 N +ATOM 164 CA MET A 24 27.420 3.347 -20.972 1.00 54.35 C +ATOM 165 C MET A 24 28.663 3.269 -21.879 1.00 54.35 C +ATOM 166 CB MET A 24 27.288 2.023 -20.174 1.00 54.35 C +ATOM 167 O MET A 24 28.665 2.495 -22.828 1.00 54.35 O +ATOM 168 CG MET A 24 26.918 0.804 -21.048 1.00 54.35 C +ATOM 169 SD MET A 24 26.336 -0.675 -20.187 1.00 54.35 S +ATOM 170 CE MET A 24 25.725 -1.615 -21.619 1.00 54.35 C +ATOM 171 N MET A 25 29.736 3.994 -21.521 1.00 57.94 N +ATOM 172 CA MET A 25 31.137 3.522 -21.443 1.00 57.94 C +ATOM 173 C MET A 25 32.107 4.684 -21.139 1.00 57.94 C +ATOM 174 CB MET A 25 31.622 2.799 -22.721 1.00 57.94 C +ATOM 175 O MET A 25 32.029 5.750 -21.737 1.00 57.94 O +ATOM 176 CG MET A 25 31.249 1.303 -22.751 1.00 57.94 C +ATOM 177 SD MET A 25 32.392 0.111 -22.025 1.00 57.94 S +ATOM 178 CE MET A 25 31.287 -1.331 -22.097 1.00 57.94 C +ATOM 179 N ALA A 26 33.075 4.375 -20.269 1.00 54.08 N +ATOM 180 CA ALA A 26 34.419 4.952 -20.157 1.00 54.08 C +ATOM 181 C ALA A 26 34.587 6.408 -19.664 1.00 54.08 C +ATOM 182 CB ALA A 26 35.161 4.695 -21.477 1.00 54.08 C +ATOM 183 O ALA A 26 34.390 7.367 -20.397 1.00 54.08 O +ATOM 184 N ALA A 27 35.151 6.570 -18.462 1.00 53.27 N +ATOM 185 CA ALA A 27 36.600 6.774 -18.296 1.00 53.27 C +ATOM 186 C ALA A 27 36.923 7.323 -16.892 1.00 53.27 C +ATOM 187 CB ALA A 27 37.186 7.717 -19.361 1.00 53.27 C +ATOM 188 O ALA A 27 36.566 8.443 -16.539 1.00 53.27 O +ATOM 189 N LEU A 28 37.655 6.530 -16.107 1.00 53.66 N +ATOM 190 CA LEU A 28 38.425 7.000 -14.954 1.00 53.66 C +ATOM 191 C LEU A 28 39.713 7.659 -15.466 1.00 53.66 C +ATOM 192 CB LEU A 28 38.781 5.786 -14.071 1.00 53.66 C +ATOM 193 O LEU A 28 40.328 7.138 -16.401 1.00 53.66 O +ATOM 194 CG LEU A 28 37.589 5.186 -13.302 1.00 53.66 C +ATOM 195 CD1 LEU A 28 37.835 3.706 -13.007 1.00 53.66 C +ATOM 196 CD2 LEU A 28 37.377 5.913 -11.974 1.00 53.66 C +ATOM 197 N PRO A 29 40.194 8.715 -14.795 1.00 58.78 N +ATOM 198 CA PRO A 29 41.602 8.685 -14.429 1.00 58.78 C +ATOM 199 C PRO A 29 41.873 9.128 -12.988 1.00 58.78 C +ATOM 200 CB PRO A 29 42.333 9.560 -15.447 1.00 58.78 C +ATOM 201 O PRO A 29 41.378 10.136 -12.487 1.00 58.78 O +ATOM 202 CG PRO A 29 41.267 10.542 -15.933 1.00 58.78 C +ATOM 203 CD PRO A 29 39.944 10.041 -15.343 1.00 58.78 C +ATOM 204 N SER A 30 42.752 8.344 -12.369 1.00 56.77 N +ATOM 205 CA SER A 30 43.668 8.691 -11.289 1.00 56.77 C +ATOM 206 C SER A 30 44.260 10.093 -11.456 1.00 56.77 C +ATOM 207 CB SER A 30 44.853 7.710 -11.388 1.00 56.77 C +ATOM 208 O SER A 30 44.618 10.444 -12.576 1.00 56.77 O +ATOM 209 OG SER A 30 44.410 6.372 -11.553 1.00 56.77 O +ATOM 210 N ASN A 31 44.463 10.832 -10.357 1.00 63.36 N +ATOM 211 CA ASN A 31 45.768 11.393 -9.957 1.00 63.36 C +ATOM 212 C ASN A 31 45.614 12.475 -8.859 1.00 63.36 C +ATOM 213 CB ASN A 31 46.575 11.969 -11.150 1.00 63.36 C +ATOM 214 O ASN A 31 45.147 13.575 -9.115 1.00 63.36 O +ATOM 215 CG ASN A 31 48.038 12.187 -10.869 1.00 63.36 C +ATOM 216 ND2 ASN A 31 48.645 13.181 -11.465 1.00 63.36 N +ATOM 217 OD1 ASN A 31 48.677 11.424 -10.167 1.00 63.36 O +ATOM 218 N THR A 32 46.108 12.141 -7.664 1.00 54.93 N +ATOM 219 CA THR A 32 47.033 12.944 -6.839 1.00 54.93 C +ATOM 220 C THR A 32 46.662 14.357 -6.373 1.00 54.93 C +ATOM 221 CB THR A 32 48.407 12.958 -7.522 1.00 54.93 C +ATOM 222 O THR A 32 46.634 15.313 -7.138 1.00 54.93 O +ATOM 223 CG2 THR A 32 49.533 13.643 -6.754 1.00 54.93 C +ATOM 224 OG1 THR A 32 48.804 11.616 -7.640 1.00 54.93 O +ATOM 225 N GLY A 33 46.630 14.511 -5.043 1.00 56.81 N +ATOM 226 CA GLY A 33 46.861 15.785 -4.352 1.00 56.81 C +ATOM 227 C GLY A 33 46.065 15.890 -3.048 1.00 56.81 C +ATOM 228 O GLY A 33 44.940 16.353 -3.052 1.00 56.81 O +ATOM 229 N ARG A 34 46.548 15.344 -1.926 1.00 51.39 N +ATOM 230 CA ARG A 34 47.347 16.091 -0.932 1.00 51.39 C +ATOM 231 C ARG A 34 46.556 17.221 -0.246 1.00 51.39 C +ATOM 232 CB ARG A 34 48.669 16.563 -1.577 1.00 51.39 C +ATOM 233 O ARG A 34 46.625 18.359 -0.678 1.00 51.39 O +ATOM 234 CG ARG A 34 49.687 17.235 -0.641 1.00 51.39 C +ATOM 235 CD ARG A 34 51.028 17.363 -1.388 1.00 51.39 C +ATOM 236 NE ARG A 34 51.769 18.586 -1.017 1.00 51.39 N +ATOM 237 NH1 ARG A 34 52.138 19.415 -3.144 1.00 51.39 N +ATOM 238 NH2 ARG A 34 52.886 20.539 -1.376 1.00 51.39 N +ATOM 239 CZ ARG A 34 52.256 19.499 -1.846 1.00 51.39 C +ATOM 240 N SER A 35 45.935 16.919 0.896 1.00 52.75 N +ATOM 241 CA SER A 35 46.165 17.685 2.132 1.00 52.75 C +ATOM 242 C SER A 35 45.643 16.922 3.348 1.00 52.75 C +ATOM 243 CB SER A 35 45.559 19.093 2.142 1.00 52.75 C +ATOM 244 O SER A 35 44.482 16.532 3.418 1.00 52.75 O +ATOM 245 OG SER A 35 46.184 19.813 3.193 1.00 52.75 O +ATOM 246 N LEU A 36 46.551 16.717 4.298 1.00 54.39 N +ATOM 247 CA LEU A 36 46.304 16.287 5.668 1.00 54.39 C +ATOM 248 C LEU A 36 45.699 17.458 6.468 1.00 54.39 C +ATOM 249 CB LEU A 36 47.669 15.857 6.250 1.00 54.39 C +ATOM 250 O LEU A 36 45.882 18.612 6.085 1.00 54.39 O +ATOM 251 CG LEU A 36 48.251 14.564 5.636 1.00 54.39 C +ATOM 252 CD1 LEU A 36 49.779 14.610 5.598 1.00 54.39 C +ATOM 253 CD2 LEU A 36 47.826 13.347 6.457 1.00 54.39 C +ATOM 254 N PHE A 37 45.088 17.134 7.612 1.00 44.45 N +ATOM 255 CA PHE A 37 44.546 18.027 8.653 1.00 44.45 C +ATOM 256 C PHE A 37 43.172 18.655 8.386 1.00 44.45 C +ATOM 257 CB PHE A 37 45.574 19.069 9.126 1.00 44.45 C +ATOM 258 O PHE A 37 43.037 19.649 7.684 1.00 44.45 O +ATOM 259 CG PHE A 37 46.672 18.475 9.975 1.00 44.45 C +ATOM 260 CD1 PHE A 37 46.537 18.487 11.374 1.00 44.45 C +ATOM 261 CD2 PHE A 37 47.807 17.891 9.383 1.00 44.45 C +ATOM 262 CE1 PHE A 37 47.529 17.909 12.182 1.00 44.45 C +ATOM 263 CE2 PHE A 37 48.793 17.299 10.191 1.00 44.45 C +ATOM 264 CZ PHE A 37 48.654 17.310 11.590 1.00 44.45 C +ATOM 265 N GLY A 38 42.148 18.114 9.055 1.00 51.45 N +ATOM 266 CA GLY A 38 40.809 18.702 9.051 1.00 51.45 C +ATOM 267 C GLY A 38 39.759 17.914 9.827 1.00 51.45 C +ATOM 268 O GLY A 38 38.642 17.756 9.355 1.00 51.45 O +ATOM 269 N LEU A 39 40.101 17.397 11.010 1.00 53.14 N +ATOM 270 CA LEU A 39 39.106 16.944 11.979 1.00 53.14 C +ATOM 271 C LEU A 39 38.278 18.162 12.408 1.00 53.14 C +ATOM 272 CB LEU A 39 39.855 16.323 13.184 1.00 53.14 C +ATOM 273 O LEU A 39 38.760 18.950 13.219 1.00 53.14 O +ATOM 274 CG LEU A 39 38.945 15.700 14.261 1.00 53.14 C +ATOM 275 CD1 LEU A 39 38.463 14.317 13.825 1.00 53.14 C +ATOM 276 CD2 LEU A 39 39.703 15.548 15.581 1.00 53.14 C +ATOM 277 N LYS A 40 37.055 18.331 11.893 1.00 55.15 N +ATOM 278 CA LYS A 40 36.002 19.040 12.632 1.00 55.15 C +ATOM 279 C LYS A 40 34.601 18.850 12.045 1.00 55.15 C +ATOM 280 CB LYS A 40 36.336 20.541 12.825 1.00 55.15 C +ATOM 281 O LYS A 40 34.255 19.392 11.007 1.00 55.15 O +ATOM 282 CG LYS A 40 36.486 20.839 14.329 1.00 55.15 C +ATOM 283 CD LYS A 40 36.888 22.288 14.604 1.00 55.15 C +ATOM 284 CE LYS A 40 37.055 22.473 16.118 1.00 55.15 C +ATOM 285 NZ LYS A 40 36.893 23.892 16.514 1.00 55.15 N +ATOM 286 N THR A 41 33.795 18.171 12.861 1.00 41.56 N +ATOM 287 CA THR A 41 32.403 18.503 13.207 1.00 41.56 C +ATOM 288 C THR A 41 31.346 18.529 12.107 1.00 41.56 C +ATOM 289 CB THR A 41 32.314 19.804 14.033 1.00 41.56 C +ATOM 290 O THR A 41 31.192 19.512 11.393 1.00 41.56 O +ATOM 291 CG2 THR A 41 32.717 19.566 15.486 1.00 41.56 C +ATOM 292 OG1 THR A 41 33.159 20.815 13.533 1.00 41.56 O +ATOM 293 N GLY A 42 30.462 17.530 12.182 1.00 47.00 N +ATOM 294 CA GLY A 42 29.032 17.754 11.987 1.00 47.00 C +ATOM 295 C GLY A 42 28.445 17.043 10.783 1.00 47.00 C +ATOM 296 O GLY A 42 28.078 17.695 9.811 1.00 47.00 O +ATOM 297 N SER A 43 28.259 15.725 10.890 1.00 57.62 N +ATOM 298 CA SER A 43 27.234 15.042 10.101 1.00 57.62 C +ATOM 299 C SER A 43 25.874 15.578 10.557 1.00 57.62 C +ATOM 300 CB SER A 43 27.340 13.519 10.262 1.00 57.62 C +ATOM 301 O SER A 43 25.264 15.073 11.497 1.00 57.62 O +ATOM 302 OG SER A 43 26.536 12.901 9.284 1.00 57.62 O +ATOM 303 N ARG A 44 25.433 16.692 9.964 1.00 48.74 N +ATOM 304 CA ARG A 44 24.026 17.087 9.983 1.00 48.74 C +ATOM 305 C ARG A 44 23.314 16.088 9.082 1.00 48.74 C +ATOM 306 CB ARG A 44 23.838 18.537 9.498 1.00 48.74 C +ATOM 307 O ARG A 44 23.161 16.338 7.893 1.00 48.74 O +ATOM 308 CG ARG A 44 24.181 19.584 10.566 1.00 48.74 C +ATOM 309 CD ARG A 44 23.943 20.990 10.000 1.00 48.74 C +ATOM 310 NE ARG A 44 24.103 22.036 11.031 1.00 48.74 N +ATOM 311 NH1 ARG A 44 24.420 23.811 9.606 1.00 48.74 N +ATOM 312 NH2 ARG A 44 24.371 24.163 11.808 1.00 48.74 N +ATOM 313 CZ ARG A 44 24.298 23.326 10.811 1.00 48.74 C +ATOM 314 N GLY A 45 22.942 14.941 9.651 1.00 54.92 N +ATOM 315 CA GLY A 45 21.943 14.067 9.052 1.00 54.92 C +ATOM 316 C GLY A 45 20.707 14.916 8.788 1.00 54.92 C +ATOM 317 O GLY A 45 20.055 15.372 9.729 1.00 54.92 O +ATOM 318 N GLY A 46 20.470 15.234 7.517 1.00 56.22 N +ATOM 319 CA GLY A 46 19.290 15.960 7.089 1.00 56.22 C +ATOM 320 C GLY A 46 18.082 15.105 7.425 1.00 56.22 C +ATOM 321 O GLY A 46 17.857 14.083 6.789 1.00 56.22 O +ATOM 322 N ARG A 47 17.340 15.497 8.460 1.00 59.12 N +ATOM 323 CA ARG A 47 15.985 15.004 8.686 1.00 59.12 C +ATOM 324 C ARG A 47 15.154 15.527 7.518 1.00 59.12 C +ATOM 325 CB ARG A 47 15.463 15.511 10.043 1.00 59.12 C +ATOM 326 O ARG A 47 14.759 16.689 7.545 1.00 59.12 O +ATOM 327 CG ARG A 47 16.134 14.809 11.232 1.00 59.12 C +ATOM 328 CD ARG A 47 15.638 15.409 12.554 1.00 59.12 C +ATOM 329 NE ARG A 47 15.842 14.475 13.678 1.00 59.12 N +ATOM 330 NH1 ARG A 47 15.577 15.970 15.401 1.00 59.12 N +ATOM 331 NH2 ARG A 47 15.792 13.792 15.848 1.00 59.12 N +ATOM 332 CZ ARG A 47 15.742 14.751 14.966 1.00 59.12 C +ATOM 333 N MET A 48 14.995 14.716 6.472 1.00 61.00 N +ATOM 334 CA MET A 48 13.955 14.929 5.468 1.00 61.00 C +ATOM 335 C MET A 48 12.645 14.935 6.259 1.00 61.00 C +ATOM 336 CB MET A 48 13.972 13.794 4.424 1.00 61.00 C +ATOM 337 O MET A 48 12.292 13.938 6.883 1.00 61.00 O +ATOM 338 CG MET A 48 15.235 13.736 3.546 1.00 61.00 C +ATOM 339 SD MET A 48 15.199 14.753 2.043 1.00 61.00 S +ATOM 340 CE MET A 48 16.717 14.196 1.226 1.00 61.00 C +ATOM 341 N THR A 49 12.020 16.099 6.400 1.00 59.24 N +ATOM 342 CA THR A 49 10.679 16.179 6.974 1.00 59.24 C +ATOM 343 C THR A 49 9.741 15.592 5.931 1.00 59.24 C +ATOM 344 CB THR A 49 10.298 17.632 7.300 1.00 59.24 C +ATOM 345 O THR A 49 9.546 16.231 4.899 1.00 59.24 O +ATOM 346 CG2 THR A 49 11.093 18.174 8.491 1.00 59.24 C +ATOM 347 OG1 THR A 49 10.578 18.472 6.202 1.00 59.24 O +ATOM 348 N MET A 50 9.240 14.383 6.175 1.00 79.45 N +ATOM 349 CA MET A 50 8.248 13.734 5.314 1.00 79.45 C +ATOM 350 C MET A 50 6.986 14.593 5.291 1.00 79.45 C +ATOM 351 CB MET A 50 7.968 12.300 5.803 1.00 79.45 C +ATOM 352 O MET A 50 6.570 15.102 6.342 1.00 79.45 O +ATOM 353 CG MET A 50 9.249 11.454 5.922 1.00 79.45 C +ATOM 354 SD MET A 50 10.398 11.565 4.519 1.00 79.45 S +ATOM 355 CE MET A 50 9.469 10.566 3.342 1.00 79.45 C +ATOM 356 N ALA A 51 6.433 14.841 4.104 1.00 91.56 N +ATOM 357 CA ALA A 51 5.160 15.536 4.012 1.00 91.56 C +ATOM 358 C ALA A 51 4.064 14.578 4.487 1.00 91.56 C +ATOM 359 CB ALA A 51 4.934 16.057 2.588 1.00 91.56 C +ATOM 360 O ALA A 51 4.138 13.378 4.254 1.00 91.56 O +ATOM 361 N ALA A 52 3.057 15.098 5.181 1.00 95.10 N +ATOM 362 CA ALA A 52 1.871 14.329 5.528 1.00 95.10 C +ATOM 363 C ALA A 52 0.669 14.971 4.846 1.00 95.10 C +ATOM 364 CB ALA A 52 1.720 14.232 7.050 1.00 95.10 C +ATOM 365 O ALA A 52 0.546 16.202 4.833 1.00 95.10 O +ATOM 366 N TYR A 53 -0.188 14.132 4.283 1.00 97.39 N +ATOM 367 CA TYR A 53 -1.379 14.542 3.561 1.00 97.39 C +ATOM 368 C TYR A 53 -2.631 14.015 4.246 1.00 97.39 C +ATOM 369 CB TYR A 53 -1.295 14.063 2.112 1.00 97.39 C +ATOM 370 O TYR A 53 -2.649 12.923 4.824 1.00 97.39 O +ATOM 371 CG TYR A 53 -0.123 14.633 1.337 1.00 97.39 C +ATOM 372 CD1 TYR A 53 -0.064 16.014 1.061 1.00 97.39 C +ATOM 373 CD2 TYR A 53 0.915 13.789 0.904 1.00 97.39 C +ATOM 374 CE1 TYR A 53 1.043 16.549 0.370 1.00 97.39 C +ATOM 375 CE2 TYR A 53 2.005 14.315 0.189 1.00 97.39 C +ATOM 376 OH TYR A 53 3.177 16.206 -0.686 1.00 97.39 O +ATOM 377 CZ TYR A 53 2.085 15.698 -0.057 1.00 97.39 C +ATOM 378 N LYS A 54 -3.713 14.787 4.142 1.00 97.92 N +ATOM 379 CA LYS A 54 -5.016 14.377 4.650 1.00 97.92 C +ATOM 380 C LYS A 54 -5.618 13.329 3.715 1.00 97.92 C +ATOM 381 CB LYS A 54 -5.909 15.611 4.825 1.00 97.92 C +ATOM 382 O LYS A 54 -5.936 13.620 2.562 1.00 97.92 O +ATOM 383 CG LYS A 54 -7.288 15.203 5.350 1.00 97.92 C +ATOM 384 CD LYS A 54 -8.208 16.406 5.570 1.00 97.92 C +ATOM 385 CE LYS A 54 -9.594 15.814 5.820 1.00 97.92 C +ATOM 386 NZ LYS A 54 -10.628 16.809 6.166 1.00 97.92 N +ATOM 387 N VAL A 55 -5.860 12.135 4.243 1.00 98.15 N +ATOM 388 CA VAL A 55 -6.557 11.056 3.540 1.00 98.15 C +ATOM 389 C VAL A 55 -7.974 10.942 4.088 1.00 98.15 C +ATOM 390 CB VAL A 55 -5.793 9.728 3.658 1.00 98.15 C +ATOM 391 O VAL A 55 -8.179 10.772 5.287 1.00 98.15 O +ATOM 392 CG1 VAL A 55 -6.529 8.611 2.905 1.00 98.15 C +ATOM 393 CG2 VAL A 55 -4.379 9.849 3.078 1.00 98.15 C +ATOM 394 N THR A 56 -8.963 11.042 3.201 1.00 98.06 N +ATOM 395 CA THR A 56 -10.382 10.840 3.522 1.00 98.06 C +ATOM 396 C THR A 56 -10.857 9.534 2.899 1.00 98.06 C +ATOM 397 CB THR A 56 -11.229 12.021 3.029 1.00 98.06 C +ATOM 398 O THR A 56 -10.897 9.411 1.675 1.00 98.06 O +ATOM 399 CG2 THR A 56 -12.694 11.910 3.457 1.00 98.06 C +ATOM 400 OG1 THR A 56 -10.691 13.223 3.538 1.00 98.06 O +ATOM 401 N LEU A 57 -11.231 8.556 3.721 1.00 97.93 N +ATOM 402 CA LEU A 57 -11.762 7.276 3.261 1.00 97.93 C +ATOM 403 C LEU A 57 -13.282 7.270 3.401 1.00 97.93 C +ATOM 404 CB LEU A 57 -11.137 6.102 4.023 1.00 97.93 C +ATOM 405 O LEU A 57 -13.824 7.414 4.498 1.00 97.93 O +ATOM 406 CG LEU A 57 -9.604 6.057 4.017 1.00 97.93 C +ATOM 407 CD1 LEU A 57 -9.154 4.961 4.979 1.00 97.93 C +ATOM 408 CD2 LEU A 57 -9.026 5.793 2.628 1.00 97.93 C +ATOM 409 N VAL A 58 -13.974 7.069 2.286 1.00 97.35 N +ATOM 410 CA VAL A 58 -15.422 6.854 2.250 1.00 97.35 C +ATOM 411 C VAL A 58 -15.656 5.351 2.371 1.00 97.35 C +ATOM 412 CB VAL A 58 -16.030 7.460 0.973 1.00 97.35 C +ATOM 413 O VAL A 58 -15.510 4.614 1.396 1.00 97.35 O +ATOM 414 CG1 VAL A 58 -17.543 7.222 0.892 1.00 97.35 C +ATOM 415 CG2 VAL A 58 -15.764 8.969 0.880 1.00 97.35 C +ATOM 416 N THR A 59 -15.952 4.893 3.589 1.00 95.76 N +ATOM 417 CA THR A 59 -16.236 3.481 3.891 1.00 95.76 C +ATOM 418 C THR A 59 -17.751 3.230 3.931 1.00 95.76 C +ATOM 419 CB THR A 59 -15.582 3.017 5.210 1.00 95.76 C +ATOM 420 O THR A 59 -18.518 4.176 4.129 1.00 95.76 O +ATOM 421 CG2 THR A 59 -14.139 3.486 5.406 1.00 95.76 C +ATOM 422 OG1 THR A 59 -16.328 3.444 6.325 1.00 95.76 O +ATOM 423 N PRO A 60 -18.223 1.973 3.824 1.00 93.95 N +ATOM 424 CA PRO A 60 -19.646 1.644 3.973 1.00 93.95 C +ATOM 425 C PRO A 60 -20.249 2.051 5.329 1.00 93.95 C +ATOM 426 CB PRO A 60 -19.727 0.125 3.778 1.00 93.95 C +ATOM 427 O PRO A 60 -21.447 2.308 5.424 1.00 93.95 O +ATOM 428 CG PRO A 60 -18.502 -0.202 2.926 1.00 93.95 C +ATOM 429 CD PRO A 60 -17.465 0.794 3.430 1.00 93.95 C +ATOM 430 N THR A 61 -19.423 2.125 6.377 1.00 93.58 N +ATOM 431 CA THR A 61 -19.835 2.493 7.744 1.00 93.58 C +ATOM 432 C THR A 61 -19.868 4.013 7.954 1.00 93.58 C +ATOM 433 CB THR A 61 -18.892 1.824 8.760 1.00 93.58 C +ATOM 434 O THR A 61 -20.513 4.499 8.884 1.00 93.58 O +ATOM 435 CG2 THR A 61 -19.376 1.916 10.208 1.00 93.58 C +ATOM 436 OG1 THR A 61 -18.794 0.446 8.473 1.00 93.58 O +ATOM 437 N GLY A 62 -19.193 4.778 7.094 1.00 94.71 N +ATOM 438 CA GLY A 62 -19.093 6.232 7.173 1.00 94.71 C +ATOM 439 C GLY A 62 -17.763 6.772 6.649 1.00 94.71 C +ATOM 440 O GLY A 62 -16.882 6.026 6.217 1.00 94.71 O +ATOM 441 N ASN A 63 -17.609 8.092 6.708 1.00 96.32 N +ATOM 442 CA ASN A 63 -16.379 8.757 6.288 1.00 96.32 C +ATOM 443 C ASN A 63 -15.406 8.851 7.463 1.00 96.32 C +ATOM 444 CB ASN A 63 -16.692 10.140 5.700 1.00 96.32 C +ATOM 445 O ASN A 63 -15.789 9.303 8.544 1.00 96.32 O +ATOM 446 CG ASN A 63 -17.540 10.089 4.443 1.00 96.32 C +ATOM 447 ND2 ASN A 63 -17.931 11.230 3.930 1.00 96.32 N +ATOM 448 OD1 ASN A 63 -17.876 9.053 3.900 1.00 96.32 O +ATOM 449 N VAL A 64 -14.155 8.471 7.230 1.00 96.72 N +ATOM 450 CA VAL A 64 -13.058 8.595 8.197 1.00 96.72 C +ATOM 451 C VAL A 64 -11.926 9.410 7.586 1.00 96.72 C +ATOM 452 CB VAL A 64 -12.579 7.229 8.721 1.00 96.72 C +ATOM 453 O VAL A 64 -11.695 9.368 6.379 1.00 96.72 O +ATOM 454 CG1 VAL A 64 -13.699 6.502 9.475 1.00 96.72 C +ATOM 455 CG2 VAL A 64 -12.073 6.308 7.614 1.00 96.72 C +ATOM 456 N GLU A 65 -11.240 10.184 8.417 1.00 97.27 N +ATOM 457 CA GLU A 65 -10.158 11.069 7.996 1.00 97.27 C +ATOM 458 C GLU A 65 -8.942 10.836 8.885 1.00 97.27 C +ATOM 459 CB GLU A 65 -10.580 12.544 8.087 1.00 97.27 C +ATOM 460 O GLU A 65 -9.082 10.760 10.105 1.00 97.27 O +ATOM 461 CG GLU A 65 -11.793 12.919 7.220 1.00 97.27 C +ATOM 462 CD GLU A 65 -12.090 14.428 7.259 1.00 97.27 C +ATOM 463 OE1 GLU A 65 -12.737 14.962 6.328 1.00 97.27 O +ATOM 464 OE2 GLU A 65 -11.555 15.162 8.124 1.00 97.27 O +ATOM 465 N PHE A 66 -7.760 10.764 8.282 1.00 97.26 N +ATOM 466 CA PHE A 66 -6.496 10.629 9.002 1.00 97.26 C +ATOM 467 C PHE A 66 -5.343 11.282 8.228 1.00 97.26 C +ATOM 468 CB PHE A 66 -6.227 9.152 9.318 1.00 97.26 C +ATOM 469 O PHE A 66 -5.514 11.745 7.096 1.00 97.26 O +ATOM 470 CG PHE A 66 -5.916 8.288 8.116 1.00 97.26 C +ATOM 471 CD1 PHE A 66 -6.950 7.869 7.260 1.00 97.26 C +ATOM 472 CD2 PHE A 66 -4.589 7.912 7.842 1.00 97.26 C +ATOM 473 CE1 PHE A 66 -6.648 7.086 6.138 1.00 97.26 C +ATOM 474 CE2 PHE A 66 -4.301 7.123 6.719 1.00 97.26 C +ATOM 475 CZ PHE A 66 -5.329 6.696 5.873 1.00 97.26 C +ATOM 476 N GLN A 67 -4.179 11.379 8.868 1.00 97.06 N +ATOM 477 CA GLN A 67 -2.956 11.909 8.265 1.00 97.06 C +ATOM 478 C GLN A 67 -2.069 10.753 7.812 1.00 97.06 C +ATOM 479 CB GLN A 67 -2.216 12.791 9.282 1.00 97.06 C +ATOM 480 O GLN A 67 -1.722 9.900 8.621 1.00 97.06 O +ATOM 481 CG GLN A 67 -2.870 14.168 9.471 1.00 97.06 C +ATOM 482 CD GLN A 67 -2.617 15.130 8.310 1.00 97.06 C +ATOM 483 NE2 GLN A 67 -3.041 16.369 8.415 1.00 97.06 N +ATOM 484 OE1 GLN A 67 -2.023 14.822 7.296 1.00 97.06 O +ATOM 485 N CYS A 68 -1.678 10.750 6.541 1.00 96.89 N +ATOM 486 CA CYS A 68 -0.785 9.744 5.979 1.00 96.89 C +ATOM 487 C CYS A 68 0.507 10.417 5.495 1.00 96.89 C +ATOM 488 CB CYS A 68 -1.514 9.024 4.848 1.00 96.89 C +ATOM 489 O CYS A 68 0.426 11.353 4.691 1.00 96.89 O +ATOM 490 SG CYS A 68 -0.529 7.626 4.233 1.00 96.89 S +ATOM 491 N PRO A 69 1.686 9.979 5.966 1.00 96.13 N +ATOM 492 CA PRO A 69 2.965 10.376 5.385 1.00 96.13 C +ATOM 493 C PRO A 69 3.059 10.022 3.894 1.00 96.13 C +ATOM 494 CB PRO A 69 4.031 9.646 6.202 1.00 96.13 C +ATOM 495 O PRO A 69 2.423 9.075 3.431 1.00 96.13 O +ATOM 496 CG PRO A 69 3.341 9.355 7.533 1.00 96.13 C +ATOM 497 CD PRO A 69 1.900 9.098 7.105 1.00 96.13 C +ATOM 498 N ASP A 70 3.862 10.775 3.150 1.00 95.31 N +ATOM 499 CA ASP A 70 4.097 10.590 1.715 1.00 95.31 C +ATOM 500 C ASP A 70 4.979 9.375 1.372 1.00 95.31 C +ATOM 501 CB ASP A 70 4.626 11.908 1.117 1.00 95.31 C +ATOM 502 O ASP A 70 5.054 8.980 0.211 1.00 95.31 O +ATOM 503 CG ASP A 70 5.987 12.427 1.615 1.00 95.31 C +ATOM 504 OD1 ASP A 70 6.517 11.955 2.643 1.00 95.31 O +ATOM 505 OD2 ASP A 70 6.474 13.421 1.023 1.00 95.31 O +ATOM 506 N ASP A 71 5.604 8.754 2.375 1.00 94.63 N +ATOM 507 CA ASP A 71 6.423 7.538 2.284 1.00 94.63 C +ATOM 508 C ASP A 71 5.790 6.291 2.905 1.00 94.63 C +ATOM 509 CB ASP A 71 7.794 7.794 2.915 1.00 94.63 C +ATOM 510 O ASP A 71 6.451 5.257 3.023 1.00 94.63 O +ATOM 511 CG ASP A 71 7.780 8.101 4.432 1.00 94.63 C +ATOM 512 OD1 ASP A 71 6.756 8.595 4.958 1.00 94.63 O +ATOM 513 OD2 ASP A 71 8.850 7.917 5.064 1.00 94.63 O +ATOM 514 N VAL A 72 4.521 6.368 3.303 1.00 96.39 N +ATOM 515 CA VAL A 72 3.788 5.250 3.902 1.00 96.39 C +ATOM 516 C VAL A 72 2.587 4.904 3.030 1.00 96.39 C +ATOM 517 CB VAL A 72 3.399 5.565 5.359 1.00 96.39 C +ATOM 518 O VAL A 72 1.912 5.785 2.494 1.00 96.39 O +ATOM 519 CG1 VAL A 72 2.631 4.412 6.015 1.00 96.39 C +ATOM 520 CG2 VAL A 72 4.644 5.803 6.226 1.00 96.39 C +ATOM 521 N TYR A 73 2.308 3.608 2.885 1.00 97.16 N +ATOM 522 CA TYR A 73 1.112 3.164 2.183 1.00 97.16 C +ATOM 523 C TYR A 73 -0.148 3.576 2.939 1.00 97.16 C +ATOM 524 CB TYR A 73 1.123 1.648 1.976 1.00 97.16 C +ATOM 525 O TYR A 73 -0.243 3.427 4.158 1.00 97.16 O +ATOM 526 CG TYR A 73 2.229 1.135 1.080 1.00 97.16 C +ATOM 527 CD1 TYR A 73 2.374 1.637 -0.229 1.00 97.16 C +ATOM 528 CD2 TYR A 73 3.085 0.120 1.546 1.00 97.16 C +ATOM 529 CE1 TYR A 73 3.349 1.092 -1.083 1.00 97.16 C +ATOM 530 CE2 TYR A 73 4.086 -0.398 0.707 1.00 97.16 C +ATOM 531 OH TYR A 73 5.159 -0.437 -1.427 1.00 97.16 O +ATOM 532 CZ TYR A 73 4.211 0.083 -0.611 1.00 97.16 C +ATOM 533 N ILE A 74 -1.162 4.016 2.196 1.00 97.32 N +ATOM 534 CA ILE A 74 -2.444 4.457 2.757 1.00 97.32 C +ATOM 535 C ILE A 74 -3.081 3.376 3.644 1.00 97.32 C +ATOM 536 CB ILE A 74 -3.377 4.895 1.606 1.00 97.32 C +ATOM 537 O ILE A 74 -3.637 3.709 4.688 1.00 97.32 O +ATOM 538 CG1 ILE A 74 -2.829 6.201 0.985 1.00 97.32 C +ATOM 539 CG2 ILE A 74 -4.829 5.089 2.081 1.00 97.32 C +ATOM 540 CD1 ILE A 74 -3.557 6.658 -0.283 1.00 97.32 C +ATOM 541 N LEU A 75 -2.996 2.097 3.253 1.00 97.32 N +ATOM 542 CA LEU A 75 -3.491 0.988 4.074 1.00 97.32 C +ATOM 543 C LEU A 75 -2.756 0.893 5.419 1.00 97.32 C +ATOM 544 CB LEU A 75 -3.370 -0.336 3.297 1.00 97.32 C +ATOM 545 O LEU A 75 -3.410 0.764 6.448 1.00 97.32 O +ATOM 546 CG LEU A 75 -3.830 -1.569 4.103 1.00 97.32 C +ATOM 547 CD1 LEU A 75 -5.321 -1.507 4.427 1.00 97.32 C +ATOM 548 CD2 LEU A 75 -3.589 -2.855 3.318 1.00 97.32 C +ATOM 549 N ASP A 76 -1.426 0.966 5.415 1.00 96.85 N +ATOM 550 CA ASP A 76 -0.616 0.805 6.626 1.00 96.85 C +ATOM 551 C ASP A 76 -0.880 1.951 7.612 1.00 96.85 C +ATOM 552 CB ASP A 76 0.879 0.737 6.259 1.00 96.85 C +ATOM 553 O ASP A 76 -1.127 1.718 8.793 1.00 96.85 O +ATOM 554 CG ASP A 76 1.297 -0.492 5.437 1.00 96.85 C +ATOM 555 OD1 ASP A 76 0.500 -1.449 5.279 1.00 96.85 O +ATOM 556 OD2 ASP A 76 2.448 -0.496 4.954 1.00 96.85 O +ATOM 557 N ALA A 77 -0.930 3.189 7.113 1.00 97.02 N +ATOM 558 CA ALA A 77 -1.268 4.351 7.930 1.00 97.02 C +ATOM 559 C ALA A 77 -2.718 4.300 8.459 1.00 97.02 C +ATOM 560 CB ALA A 77 -0.990 5.601 7.091 1.00 97.02 C +ATOM 561 O ALA A 77 -2.984 4.738 9.576 1.00 97.02 O +ATOM 562 N ALA A 78 -3.660 3.734 7.697 1.00 96.98 N +ATOM 563 CA ALA A 78 -5.030 3.524 8.164 1.00 96.98 C +ATOM 564 C ALA A 78 -5.096 2.479 9.296 1.00 96.98 C +ATOM 565 CB ALA A 78 -5.907 3.134 6.966 1.00 96.98 C +ATOM 566 O ALA A 78 -5.784 2.704 10.294 1.00 96.98 O +ATOM 567 N GLU A 79 -4.355 1.370 9.179 1.00 96.34 N +ATOM 568 CA GLU A 79 -4.269 0.340 10.223 1.00 96.34 C +ATOM 569 C GLU A 79 -3.676 0.893 11.530 1.00 96.34 C +ATOM 570 CB GLU A 79 -3.420 -0.861 9.754 1.00 96.34 C +ATOM 571 O GLU A 79 -4.181 0.578 12.610 1.00 96.34 O +ATOM 572 CG GLU A 79 -4.108 -1.783 8.732 1.00 96.34 C +ATOM 573 CD GLU A 79 -3.284 -3.051 8.418 1.00 96.34 C +ATOM 574 OE1 GLU A 79 -3.872 -4.098 8.069 1.00 96.34 O +ATOM 575 OE2 GLU A 79 -2.032 -3.064 8.516 1.00 96.34 O +ATOM 576 N GLU A 80 -2.645 1.742 11.453 1.00 96.41 N +ATOM 577 CA GLU A 80 -2.038 2.387 12.630 1.00 96.41 C +ATOM 578 C GLU A 80 -3.024 3.294 13.384 1.00 96.41 C +ATOM 579 CB GLU A 80 -0.792 3.193 12.224 1.00 96.41 C +ATOM 580 O GLU A 80 -3.022 3.332 14.617 1.00 96.41 O +ATOM 581 CG GLU A 80 0.406 2.289 11.887 1.00 96.41 C +ATOM 582 CD GLU A 80 1.729 3.052 11.682 1.00 96.41 C +ATOM 583 OE1 GLU A 80 2.773 2.363 11.584 1.00 96.41 O +ATOM 584 OE2 GLU A 80 1.738 4.305 11.717 1.00 96.41 O +ATOM 585 N GLU A 81 -3.921 3.959 12.656 1.00 96.03 N +ATOM 586 CA GLU A 81 -4.999 4.785 13.211 1.00 96.03 C +ATOM 587 C GLU A 81 -6.222 3.957 13.663 1.00 96.03 C +ATOM 588 CB GLU A 81 -5.372 5.865 12.183 1.00 96.03 C +ATOM 589 O GLU A 81 -7.202 4.499 14.179 1.00 96.03 O +ATOM 590 CG GLU A 81 -4.228 6.871 11.949 1.00 96.03 C +ATOM 591 CD GLU A 81 -3.940 7.779 13.159 1.00 96.03 C +ATOM 592 OE1 GLU A 81 -2.749 8.015 13.467 1.00 96.03 O +ATOM 593 OE2 GLU A 81 -4.909 8.301 13.761 1.00 96.03 O +ATOM 594 N GLY A 82 -6.176 2.629 13.504 1.00 95.60 N +ATOM 595 CA GLY A 82 -7.244 1.709 13.898 1.00 95.60 C +ATOM 596 C GLY A 82 -8.432 1.674 12.932 1.00 95.60 C +ATOM 597 O GLY A 82 -9.535 1.291 13.331 1.00 95.60 O +ATOM 598 N ILE A 83 -8.230 2.085 11.679 1.00 95.50 N +ATOM 599 CA ILE A 83 -9.231 2.035 10.612 1.00 95.50 C +ATOM 600 C ILE A 83 -9.098 0.700 9.877 1.00 95.50 C +ATOM 601 CB ILE A 83 -9.074 3.233 9.652 1.00 95.50 C +ATOM 602 O ILE A 83 -8.067 0.407 9.277 1.00 95.50 O +ATOM 603 CG1 ILE A 83 -9.211 4.584 10.396 1.00 95.50 C +ATOM 604 CG2 ILE A 83 -10.104 3.132 8.508 1.00 95.50 C +ATOM 605 CD1 ILE A 83 -8.733 5.786 9.571 1.00 95.50 C +ATOM 606 N ASP A 84 -10.168 -0.092 9.890 1.00 94.24 N +ATOM 607 CA ASP A 84 -10.205 -1.381 9.200 1.00 94.24 C +ATOM 608 C ASP A 84 -10.549 -1.202 7.713 1.00 94.24 C +ATOM 609 CB ASP A 84 -11.178 -2.321 9.928 1.00 94.24 C +ATOM 610 O ASP A 84 -11.539 -0.552 7.355 1.00 94.24 O +ATOM 611 CG ASP A 84 -11.042 -3.785 9.495 1.00 94.24 C +ATOM 612 OD1 ASP A 84 -9.917 -4.187 9.126 1.00 94.24 O +ATOM 613 OD2 ASP A 84 -12.060 -4.507 9.597 1.00 94.24 O +ATOM 614 N LEU A 85 -9.721 -1.779 6.844 1.00 95.31 N +ATOM 615 CA LEU A 85 -9.887 -1.774 5.393 1.00 95.31 C +ATOM 616 C LEU A 85 -9.721 -3.190 4.843 1.00 95.31 C +ATOM 617 CB LEU A 85 -8.858 -0.835 4.736 1.00 95.31 C +ATOM 618 O LEU A 85 -8.950 -3.975 5.389 1.00 95.31 O +ATOM 619 CG LEU A 85 -9.108 0.669 4.905 1.00 95.31 C +ATOM 620 CD1 LEU A 85 -8.027 1.422 4.120 1.00 95.31 C +ATOM 621 CD2 LEU A 85 -10.483 1.074 4.361 1.00 95.31 C +ATOM 622 N PRO A 86 -10.389 -3.532 3.730 1.00 95.42 N +ATOM 623 CA PRO A 86 -10.244 -4.851 3.138 1.00 95.42 C +ATOM 624 C PRO A 86 -8.841 -5.013 2.532 1.00 95.42 C +ATOM 625 CB PRO A 86 -11.374 -4.946 2.111 1.00 95.42 C +ATOM 626 O PRO A 86 -8.372 -4.173 1.763 1.00 95.42 O +ATOM 627 CG PRO A 86 -11.584 -3.496 1.676 1.00 95.42 C +ATOM 628 CD PRO A 86 -11.302 -2.709 2.954 1.00 95.42 C +ATOM 629 N TYR A 87 -8.162 -6.112 2.867 1.00 95.33 N +ATOM 630 CA TYR A 87 -6.882 -6.503 2.275 1.00 95.33 C +ATOM 631 C TYR A 87 -6.713 -8.026 2.268 1.00 95.33 C +ATOM 632 CB TYR A 87 -5.712 -5.822 3.004 1.00 95.33 C +ATOM 633 O TYR A 87 -7.380 -8.757 2.997 1.00 95.33 O +ATOM 634 CG TYR A 87 -5.512 -6.249 4.446 1.00 95.33 C +ATOM 635 CD1 TYR A 87 -6.110 -5.500 5.471 1.00 95.33 C +ATOM 636 CD2 TYR A 87 -4.725 -7.375 4.771 1.00 95.33 C +ATOM 637 CE1 TYR A 87 -5.940 -5.864 6.816 1.00 95.33 C +ATOM 638 CE2 TYR A 87 -4.543 -7.740 6.121 1.00 95.33 C +ATOM 639 OH TYR A 87 -4.908 -7.275 8.447 1.00 95.33 O +ATOM 640 CZ TYR A 87 -5.141 -6.975 7.145 1.00 95.33 C +ATOM 641 N SER A 88 -5.795 -8.518 1.431 1.00 95.57 N +ATOM 642 CA SER A 88 -5.434 -9.941 1.392 1.00 95.57 C +ATOM 643 C SER A 88 -3.943 -10.141 1.117 1.00 95.57 C +ATOM 644 CB SER A 88 -6.310 -10.676 0.368 1.00 95.57 C +ATOM 645 O SER A 88 -3.199 -10.545 2.006 1.00 95.57 O +ATOM 646 OG SER A 88 -6.017 -12.057 0.398 1.00 95.57 O +ATOM 647 N CYS A 89 -3.477 -9.800 -0.090 1.00 96.40 N +ATOM 648 CA CYS A 89 -2.105 -10.079 -0.525 1.00 96.40 C +ATOM 649 C CYS A 89 -1.047 -9.091 0.003 1.00 96.40 C +ATOM 650 CB CYS A 89 -2.078 -10.126 -2.061 1.00 96.40 C +ATOM 651 O CYS A 89 0.110 -9.476 0.141 1.00 96.40 O +ATOM 652 SG CYS A 89 -2.555 -8.587 -2.908 1.00 96.40 S +ATOM 653 N ARG A 90 -1.422 -7.821 0.245 1.00 94.02 N +ATOM 654 CA ARG A 90 -0.526 -6.698 0.627 1.00 94.02 C +ATOM 655 C ARG A 90 0.710 -6.514 -0.275 1.00 94.02 C +ATOM 656 CB ARG A 90 -0.131 -6.770 2.116 1.00 94.02 C +ATOM 657 O ARG A 90 1.730 -6.002 0.162 1.00 94.02 O +ATOM 658 CG ARG A 90 -1.330 -6.752 3.072 1.00 94.02 C +ATOM 659 CD ARG A 90 -0.886 -6.724 4.543 1.00 94.02 C +ATOM 660 NE ARG A 90 -0.436 -5.388 5.006 1.00 94.02 N +ATOM 661 NH1 ARG A 90 -1.367 -5.440 7.122 1.00 94.02 N +ATOM 662 NH2 ARG A 90 -0.231 -3.687 6.539 1.00 94.02 N +ATOM 663 CZ ARG A 90 -0.662 -4.856 6.201 1.00 94.02 C +ATOM 664 N ALA A 91 0.620 -6.942 -1.531 1.00 94.91 N +ATOM 665 CA ALA A 91 1.715 -6.879 -2.502 1.00 94.91 C +ATOM 666 C ALA A 91 1.319 -6.138 -3.791 1.00 94.91 C +ATOM 667 CB ALA A 91 2.198 -8.313 -2.759 1.00 94.91 C +ATOM 668 O ALA A 91 1.973 -6.305 -4.815 1.00 94.91 O +ATOM 669 N GLY A 92 0.197 -5.405 -3.778 1.00 95.29 N +ATOM 670 CA GLY A 92 -0.312 -4.705 -4.964 1.00 95.29 C +ATOM 671 C GLY A 92 -0.662 -5.630 -6.139 1.00 95.29 C +ATOM 672 O GLY A 92 -0.607 -5.203 -7.286 1.00 95.29 O +ATOM 673 N SER A 93 -0.968 -6.904 -5.875 1.00 95.82 N +ATOM 674 CA SER A 93 -1.162 -7.949 -6.897 1.00 95.82 C +ATOM 675 C SER A 93 -2.557 -8.589 -6.878 1.00 95.82 C +ATOM 676 CB SER A 93 -0.066 -9.004 -6.751 1.00 95.82 C +ATOM 677 O SER A 93 -2.790 -9.600 -7.539 1.00 95.82 O +ATOM 678 OG SER A 93 -0.122 -9.627 -5.475 1.00 95.82 O +ATOM 679 N CYS A 94 -3.487 -8.025 -6.105 1.00 96.09 N +ATOM 680 CA CYS A 94 -4.852 -8.518 -5.947 1.00 96.09 C +ATOM 681 C CYS A 94 -5.857 -7.358 -5.846 1.00 96.09 C +ATOM 682 CB CYS A 94 -4.925 -9.441 -4.715 1.00 96.09 C +ATOM 683 O CYS A 94 -5.490 -6.248 -5.466 1.00 96.09 O +ATOM 684 SG CYS A 94 -4.602 -8.674 -3.091 1.00 96.09 S +ATOM 685 N SER A 95 -7.134 -7.636 -6.121 1.00 94.83 N +ATOM 686 CA SER A 95 -8.246 -6.672 -6.091 1.00 94.83 C +ATOM 687 C SER A 95 -8.809 -6.374 -4.699 1.00 94.83 C +ATOM 688 CB SER A 95 -9.391 -7.203 -6.962 1.00 94.83 C +ATOM 689 O SER A 95 -9.620 -5.465 -4.558 1.00 94.83 O +ATOM 690 OG SER A 95 -9.674 -8.556 -6.635 1.00 94.83 O +ATOM 691 N SER A 96 -8.403 -7.102 -3.656 1.00 96.73 N +ATOM 692 CA SER A 96 -9.071 -7.016 -2.346 1.00 96.73 C +ATOM 693 C SER A 96 -8.940 -5.653 -1.669 1.00 96.73 C +ATOM 694 CB SER A 96 -8.566 -8.115 -1.415 1.00 96.73 C +ATOM 695 O SER A 96 -9.832 -5.247 -0.934 1.00 96.73 O +ATOM 696 OG SER A 96 -8.599 -9.362 -2.083 1.00 96.73 O +ATOM 697 N CYS A 97 -7.849 -4.928 -1.939 1.00 96.99 N +ATOM 698 CA CYS A 97 -7.617 -3.576 -1.423 1.00 96.99 C +ATOM 699 C CYS A 97 -8.096 -2.475 -2.397 1.00 96.99 C +ATOM 700 CB CYS A 97 -6.152 -3.458 -0.943 1.00 96.99 C +ATOM 701 O CYS A 97 -7.664 -1.325 -2.301 1.00 96.99 O +ATOM 702 SG CYS A 97 -4.885 -3.197 -2.230 1.00 96.99 S +ATOM 703 N ALA A 98 -8.963 -2.818 -3.361 1.00 97.36 N +ATOM 704 CA ALA A 98 -9.425 -1.886 -4.382 1.00 97.36 C +ATOM 705 C ALA A 98 -10.331 -0.784 -3.816 1.00 97.36 C +ATOM 706 CB ALA A 98 -10.109 -2.632 -5.533 1.00 97.36 C +ATOM 707 O ALA A 98 -11.282 -1.016 -3.056 1.00 97.36 O +ATOM 708 N GLY A 99 -10.048 0.433 -4.263 1.00 97.46 N +ATOM 709 CA GLY A 99 -10.836 1.628 -4.033 1.00 97.46 C +ATOM 710 C GLY A 99 -10.931 2.494 -5.286 1.00 97.46 C +ATOM 711 O GLY A 99 -10.322 2.208 -6.318 1.00 97.46 O +ATOM 712 N LYS A 100 -11.693 3.583 -5.179 1.00 97.48 N +ATOM 713 CA LYS A 100 -11.872 4.572 -6.243 1.00 97.48 C +ATOM 714 C LYS A 100 -11.452 5.956 -5.767 1.00 97.48 C +ATOM 715 CB LYS A 100 -13.329 4.539 -6.736 1.00 97.48 C +ATOM 716 O LYS A 100 -12.020 6.488 -4.813 1.00 97.48 O +ATOM 717 CG LYS A 100 -13.491 5.175 -8.122 1.00 97.48 C +ATOM 718 CD LYS A 100 -13.015 4.215 -9.220 1.00 97.48 C +ATOM 719 CE LYS A 100 -13.097 4.892 -10.581 1.00 97.48 C +ATOM 720 NZ LYS A 100 -12.581 4.009 -11.651 1.00 97.48 N +ATOM 721 N LEU A 101 -10.480 6.555 -6.442 1.00 98.00 N +ATOM 722 CA LEU A 101 -10.034 7.917 -6.186 1.00 98.00 C +ATOM 723 C LEU A 101 -11.112 8.913 -6.636 1.00 98.00 C +ATOM 724 CB LEU A 101 -8.694 8.134 -6.908 1.00 98.00 C +ATOM 725 O LEU A 101 -11.552 8.899 -7.784 1.00 98.00 O +ATOM 726 CG LEU A 101 -8.023 9.486 -6.604 1.00 98.00 C +ATOM 727 CD1 LEU A 101 -7.683 9.622 -5.119 1.00 98.00 C +ATOM 728 CD2 LEU A 101 -6.736 9.603 -7.417 1.00 98.00 C +ATOM 729 N LYS A 102 -11.550 9.788 -5.728 1.00 97.25 N +ATOM 730 CA LYS A 102 -12.512 10.864 -6.019 1.00 97.25 C +ATOM 731 C LYS A 102 -11.840 12.201 -6.250 1.00 97.25 C +ATOM 732 CB LYS A 102 -13.526 11.002 -4.876 1.00 97.25 C +ATOM 733 O LYS A 102 -12.257 12.950 -7.128 1.00 97.25 O +ATOM 734 CG LYS A 102 -14.434 9.786 -4.730 1.00 97.25 C +ATOM 735 CD LYS A 102 -15.290 9.533 -5.983 1.00 97.25 C +ATOM 736 CE LYS A 102 -16.151 8.365 -5.566 1.00 97.25 C +ATOM 737 NZ LYS A 102 -17.104 7.824 -6.558 1.00 97.25 N +ATOM 738 N THR A 103 -10.846 12.521 -5.431 1.00 97.23 N +ATOM 739 CA THR A 103 -10.115 13.788 -5.480 1.00 97.23 C +ATOM 740 C THR A 103 -8.674 13.581 -5.033 1.00 97.23 C +ATOM 741 CB THR A 103 -10.760 14.876 -4.599 1.00 97.23 C +ATOM 742 O THR A 103 -8.389 12.680 -4.242 1.00 97.23 O +ATOM 743 CG2 THR A 103 -12.205 15.212 -4.970 1.00 97.23 C +ATOM 744 OG1 THR A 103 -10.772 14.484 -3.250 1.00 97.23 O +ATOM 745 N GLY A 104 -7.786 14.450 -5.517 1.00 96.90 N +ATOM 746 CA GLY A 104 -6.362 14.432 -5.196 1.00 96.90 C +ATOM 747 C GLY A 104 -5.527 13.596 -6.163 1.00 96.90 C +ATOM 748 O GLY A 104 -5.995 13.183 -7.224 1.00 96.90 O +ATOM 749 N SER A 105 -4.273 13.379 -5.785 1.00 96.43 N +ATOM 750 CA SER A 105 -3.296 12.592 -6.526 1.00 96.43 C +ATOM 751 C SER A 105 -2.557 11.644 -5.589 1.00 96.43 C +ATOM 752 CB SER A 105 -2.295 13.511 -7.229 1.00 96.43 C +ATOM 753 O SER A 105 -2.205 11.997 -4.463 1.00 96.43 O +ATOM 754 OG SER A 105 -2.957 14.297 -8.205 1.00 96.43 O +ATOM 755 N LEU A 106 -2.292 10.442 -6.086 1.00 96.86 N +ATOM 756 CA LEU A 106 -1.520 9.412 -5.404 1.00 96.86 C +ATOM 757 C LEU A 106 -0.552 8.757 -6.385 1.00 96.86 C +ATOM 758 CB LEU A 106 -2.467 8.422 -4.704 1.00 96.86 C +ATOM 759 O LEU A 106 -0.781 8.781 -7.594 1.00 96.86 O +ATOM 760 CG LEU A 106 -3.499 7.707 -5.601 1.00 96.86 C +ATOM 761 CD1 LEU A 106 -2.954 6.439 -6.261 1.00 96.86 C +ATOM 762 CD2 LEU A 106 -4.687 7.329 -4.721 1.00 96.86 C +ATOM 763 N ASN A 107 0.526 8.195 -5.855 1.00 96.33 N +ATOM 764 CA ASN A 107 1.431 7.322 -6.585 1.00 96.33 C +ATOM 765 C ASN A 107 1.070 5.875 -6.232 1.00 96.33 C +ATOM 766 CB ASN A 107 2.887 7.696 -6.242 1.00 96.33 C +ATOM 767 O ASN A 107 0.990 5.544 -5.053 1.00 96.33 O +ATOM 768 CG ASN A 107 3.876 6.848 -7.026 1.00 96.33 C +ATOM 769 ND2 ASN A 107 4.879 7.421 -7.639 1.00 96.33 N +ATOM 770 OD1 ASN A 107 3.724 5.652 -7.147 1.00 96.33 O +ATOM 771 N GLN A 108 0.851 5.033 -7.238 1.00 96.30 N +ATOM 772 CA GLN A 108 0.638 3.596 -7.060 1.00 96.30 C +ATOM 773 C GLN A 108 1.542 2.769 -7.982 1.00 96.30 C +ATOM 774 CB GLN A 108 -0.859 3.247 -7.159 1.00 96.30 C +ATOM 775 O GLN A 108 1.148 1.707 -8.437 1.00 96.30 O +ATOM 776 CG GLN A 108 -1.502 3.575 -8.521 1.00 96.30 C +ATOM 777 CD GLN A 108 -2.982 3.206 -8.556 1.00 96.30 C +ATOM 778 NE2 GLN A 108 -3.791 3.933 -9.297 1.00 96.30 N +ATOM 779 OE1 GLN A 108 -3.439 2.281 -7.899 1.00 96.30 O +ATOM 780 N ASP A 109 2.751 3.249 -8.280 1.00 95.43 N +ATOM 781 CA ASP A 109 3.690 2.600 -9.209 1.00 95.43 C +ATOM 782 C ASP A 109 4.161 1.215 -8.715 1.00 95.43 C +ATOM 783 CB ASP A 109 4.913 3.512 -9.438 1.00 95.43 C +ATOM 784 O ASP A 109 4.617 0.395 -9.511 1.00 95.43 O +ATOM 785 CG ASP A 109 4.617 4.854 -10.128 1.00 95.43 C +ATOM 786 OD1 ASP A 109 3.605 4.956 -10.855 1.00 95.43 O +ATOM 787 OD2 ASP A 109 5.438 5.792 -9.950 1.00 95.43 O +ATOM 788 N ASP A 110 4.030 0.942 -7.412 1.00 95.52 N +ATOM 789 CA ASP A 110 4.407 -0.331 -6.780 1.00 95.52 C +ATOM 790 C ASP A 110 3.375 -1.455 -7.009 1.00 95.52 C +ATOM 791 CB ASP A 110 4.657 -0.098 -5.274 1.00 95.52 C +ATOM 792 O ASP A 110 3.621 -2.619 -6.677 1.00 95.52 O +ATOM 793 CG ASP A 110 5.966 0.649 -4.958 1.00 95.52 C +ATOM 794 OD1 ASP A 110 6.852 0.728 -5.839 1.00 95.52 O +ATOM 795 OD2 ASP A 110 6.114 1.101 -3.799 1.00 95.52 O +ATOM 796 N GLN A 111 2.209 -1.136 -7.576 1.00 95.77 N +ATOM 797 CA GLN A 111 1.164 -2.108 -7.889 1.00 95.77 C +ATOM 798 C GLN A 111 1.426 -2.838 -9.223 1.00 95.77 C +ATOM 799 CB GLN A 111 -0.197 -1.401 -7.809 1.00 95.77 C +ATOM 800 O GLN A 111 2.146 -2.355 -10.092 1.00 95.77 O +ATOM 801 CG GLN A 111 -0.557 -0.609 -9.080 1.00 95.77 C +ATOM 802 CD GLN A 111 -1.216 -1.439 -10.160 1.00 95.77 C +ATOM 803 NE2 GLN A 111 -1.048 -1.083 -11.412 1.00 95.77 N +ATOM 804 OE1 GLN A 111 -1.871 -2.431 -9.882 1.00 95.77 O +ATOM 805 N SER A 112 0.819 -4.013 -9.414 1.00 95.91 N +ATOM 806 CA SER A 112 0.989 -4.844 -10.623 1.00 95.91 C +ATOM 807 C SER A 112 -0.301 -5.497 -11.139 1.00 95.91 C +ATOM 808 CB SER A 112 2.064 -5.908 -10.363 1.00 95.91 C +ATOM 809 O SER A 112 -0.243 -6.378 -11.997 1.00 95.91 O +ATOM 810 OG SER A 112 1.715 -6.728 -9.258 1.00 95.91 O +ATOM 811 N PHE A 113 -1.456 -5.108 -10.600 1.00 96.54 N +ATOM 812 CA PHE A 113 -2.754 -5.725 -10.874 1.00 96.54 C +ATOM 813 C PHE A 113 -3.638 -4.888 -11.808 1.00 96.54 C +ATOM 814 CB PHE A 113 -3.449 -5.969 -9.533 1.00 96.54 C +ATOM 815 O PHE A 113 -4.209 -5.446 -12.740 1.00 96.54 O +ATOM 816 CG PHE A 113 -4.826 -6.586 -9.647 1.00 96.54 C +ATOM 817 CD1 PHE A 113 -5.977 -5.778 -9.594 1.00 96.54 C +ATOM 818 CD2 PHE A 113 -4.953 -7.970 -9.864 1.00 96.54 C +ATOM 819 CE1 PHE A 113 -7.245 -6.353 -9.781 1.00 96.54 C +ATOM 820 CE2 PHE A 113 -6.224 -8.544 -10.040 1.00 96.54 C +ATOM 821 CZ PHE A 113 -7.370 -7.734 -10.005 1.00 96.54 C +ATOM 822 N LEU A 114 -3.754 -3.582 -11.555 1.00 96.33 N +ATOM 823 CA LEU A 114 -4.530 -2.651 -12.371 1.00 96.33 C +ATOM 824 C LEU A 114 -3.795 -2.350 -13.678 1.00 96.33 C +ATOM 825 CB LEU A 114 -4.811 -1.339 -11.609 1.00 96.33 C +ATOM 826 O LEU A 114 -2.580 -2.128 -13.664 1.00 96.33 O +ATOM 827 CG LEU A 114 -5.566 -1.484 -10.278 1.00 96.33 C +ATOM 828 CD1 LEU A 114 -5.686 -0.117 -9.598 1.00 96.33 C +ATOM 829 CD2 LEU A 114 -6.978 -2.038 -10.461 1.00 96.33 C +ATOM 830 N ASP A 115 -4.537 -2.316 -14.779 1.00 95.81 N +ATOM 831 CA ASP A 115 -4.045 -1.814 -16.062 1.00 95.81 C +ATOM 832 C ASP A 115 -4.138 -0.277 -16.155 1.00 95.81 C +ATOM 833 CB ASP A 115 -4.740 -2.552 -17.222 1.00 95.81 C +ATOM 834 O ASP A 115 -4.715 0.390 -15.292 1.00 95.81 O +ATOM 835 CG ASP A 115 -6.260 -2.373 -17.259 1.00 95.81 C +ATOM 836 OD1 ASP A 115 -6.710 -1.214 -17.147 1.00 95.81 O +ATOM 837 OD2 ASP A 115 -6.958 -3.399 -17.427 1.00 95.81 O +ATOM 838 N ASP A 116 -3.526 0.293 -17.196 1.00 95.50 N +ATOM 839 CA ASP A 116 -3.459 1.746 -17.387 1.00 95.50 C +ATOM 840 C ASP A 116 -4.860 2.374 -17.523 1.00 95.50 C +ATOM 841 CB ASP A 116 -2.604 2.074 -18.629 1.00 95.50 C +ATOM 842 O ASP A 116 -5.105 3.445 -16.968 1.00 95.50 O +ATOM 843 CG ASP A 116 -1.114 1.697 -18.533 1.00 95.50 C +ATOM 844 OD1 ASP A 116 -0.602 1.477 -17.414 1.00 95.50 O +ATOM 845 OD2 ASP A 116 -0.464 1.626 -19.607 1.00 95.50 O +ATOM 846 N ASP A 117 -5.798 1.689 -18.191 1.00 95.97 N +ATOM 847 CA ASP A 117 -7.170 2.175 -18.378 1.00 95.97 C +ATOM 848 C ASP A 117 -7.895 2.256 -17.022 1.00 95.97 C +ATOM 849 CB ASP A 117 -7.946 1.263 -19.356 1.00 95.97 C +ATOM 850 O ASP A 117 -8.546 3.255 -16.706 1.00 95.97 O +ATOM 851 CG ASP A 117 -7.475 1.293 -20.823 1.00 95.97 C +ATOM 852 OD1 ASP A 117 -6.917 2.320 -21.273 1.00 95.97 O +ATOM 853 OD2 ASP A 117 -7.742 0.304 -21.550 1.00 95.97 O +ATOM 854 N GLN A 118 -7.733 1.243 -16.167 1.00 95.95 N +ATOM 855 CA GLN A 118 -8.296 1.236 -14.820 1.00 95.95 C +ATOM 856 C GLN A 118 -7.694 2.341 -13.938 1.00 95.95 C +ATOM 857 CB GLN A 118 -8.072 -0.139 -14.175 1.00 95.95 C +ATOM 858 O GLN A 118 -8.418 3.018 -13.196 1.00 95.95 O +ATOM 859 CG GLN A 118 -8.974 -1.221 -14.782 1.00 95.95 C +ATOM 860 CD GLN A 118 -8.649 -2.616 -14.256 1.00 95.95 C +ATOM 861 NE2 GLN A 118 -9.591 -3.531 -14.310 1.00 95.95 N +ATOM 862 OE1 GLN A 118 -7.585 -2.911 -13.733 1.00 95.95 O +ATOM 863 N ILE A 119 -6.381 2.557 -14.014 1.00 95.94 N +ATOM 864 CA ILE A 119 -5.715 3.648 -13.290 1.00 95.94 C +ATOM 865 C ILE A 119 -6.273 5.004 -13.743 1.00 95.94 C +ATOM 866 CB ILE A 119 -4.185 3.555 -13.468 1.00 95.94 C +ATOM 867 O ILE A 119 -6.622 5.828 -12.893 1.00 95.94 O +ATOM 868 CG1 ILE A 119 -3.648 2.296 -12.749 1.00 95.94 C +ATOM 869 CG2 ILE A 119 -3.489 4.820 -12.927 1.00 95.94 C +ATOM 870 CD1 ILE A 119 -2.194 1.970 -13.109 1.00 95.94 C +ATOM 871 N ASP A 120 -6.433 5.212 -15.051 1.00 95.31 N +ATOM 872 CA ASP A 120 -6.968 6.446 -15.636 1.00 95.31 C +ATOM 873 C ASP A 120 -8.439 6.689 -15.269 1.00 95.31 C +ATOM 874 CB ASP A 120 -6.807 6.404 -17.167 1.00 95.31 C +ATOM 875 O ASP A 120 -8.857 7.827 -15.036 1.00 95.31 O +ATOM 876 CG ASP A 120 -5.413 6.806 -17.671 1.00 95.31 C +ATOM 877 OD1 ASP A 120 -4.601 7.318 -16.863 1.00 95.31 O +ATOM 878 OD2 ASP A 120 -5.219 6.767 -18.908 1.00 95.31 O +ATOM 879 N GLU A 121 -9.235 5.628 -15.130 1.00 95.80 N +ATOM 880 CA GLU A 121 -10.590 5.729 -14.590 1.00 95.80 C +ATOM 881 C GLU A 121 -10.610 6.136 -13.105 1.00 95.80 C +ATOM 882 CB GLU A 121 -11.328 4.398 -14.751 1.00 95.80 C +ATOM 883 O GLU A 121 -11.679 6.453 -12.576 1.00 95.80 O +ATOM 884 CG GLU A 121 -11.754 4.046 -16.178 1.00 95.80 C +ATOM 885 CD GLU A 121 -12.500 2.701 -16.216 1.00 95.80 C +ATOM 886 OE1 GLU A 121 -12.871 2.292 -17.337 1.00 95.80 O +ATOM 887 OE2 GLU A 121 -12.804 2.158 -15.117 1.00 95.80 O +ATOM 888 N GLY A 122 -9.472 6.089 -12.407 1.00 96.68 N +ATOM 889 CA GLY A 122 -9.322 6.431 -10.994 1.00 96.68 C +ATOM 890 C GLY A 122 -9.406 5.234 -10.048 1.00 96.68 C +ATOM 891 O GLY A 122 -9.763 5.408 -8.883 1.00 96.68 O +ATOM 892 N TRP A 123 -9.153 4.012 -10.521 1.00 97.54 N +ATOM 893 CA TRP A 123 -8.994 2.858 -9.633 1.00 97.54 C +ATOM 894 C TRP A 123 -7.672 2.934 -8.869 1.00 97.54 C +ATOM 895 CB TRP A 123 -9.129 1.551 -10.415 1.00 97.54 C +ATOM 896 O TRP A 123 -6.649 3.372 -9.397 1.00 97.54 O +ATOM 897 CG TRP A 123 -10.508 1.316 -10.946 1.00 97.54 C +ATOM 898 CD1 TRP A 123 -10.933 1.429 -12.224 1.00 97.54 C +ATOM 899 CD2 TRP A 123 -11.663 0.864 -10.196 1.00 97.54 C +ATOM 900 CE2 TRP A 123 -12.768 0.728 -11.092 1.00 97.54 C +ATOM 901 CE3 TRP A 123 -11.848 0.503 -8.847 1.00 97.54 C +ATOM 902 NE1 TRP A 123 -12.268 1.104 -12.322 1.00 97.54 N +ATOM 903 CH2 TRP A 123 -14.168 -0.071 -9.301 1.00 97.54 C +ATOM 904 CZ2 TRP A 123 -14.017 0.281 -10.651 1.00 97.54 C +ATOM 905 CZ3 TRP A 123 -13.088 0.024 -8.408 1.00 97.54 C +ATOM 906 N VAL A 124 -7.702 2.521 -7.603 1.00 97.69 N +ATOM 907 CA VAL A 124 -6.526 2.522 -6.731 1.00 97.69 C +ATOM 908 C VAL A 124 -6.454 1.262 -5.883 1.00 97.69 C +ATOM 909 CB VAL A 124 -6.448 3.804 -5.877 1.00 97.69 C +ATOM 910 O VAL A 124 -7.473 0.789 -5.379 1.00 97.69 O +ATOM 911 CG1 VAL A 124 -7.683 4.047 -4.996 1.00 97.69 C +ATOM 912 CG2 VAL A 124 -5.210 3.798 -4.974 1.00 97.69 C +ATOM 913 N LEU A 125 -5.241 0.754 -5.667 1.00 97.68 N +ATOM 914 CA LEU A 125 -4.957 -0.262 -4.655 1.00 97.68 C +ATOM 915 C LEU A 125 -4.387 0.384 -3.389 1.00 97.68 C +ATOM 916 CB LEU A 125 -4.015 -1.318 -5.253 1.00 97.68 C +ATOM 917 O LEU A 125 -3.219 0.760 -3.345 1.00 97.68 O +ATOM 918 CG LEU A 125 -4.623 -2.132 -6.411 1.00 97.68 C +ATOM 919 CD1 LEU A 125 -3.751 -3.353 -6.675 1.00 97.68 C +ATOM 920 CD2 LEU A 125 -6.037 -2.660 -6.139 1.00 97.68 C +ATOM 921 N THR A 126 -5.194 0.488 -2.327 1.00 97.06 N +ATOM 922 CA THR A 126 -4.805 1.192 -1.084 1.00 97.06 C +ATOM 923 C THR A 126 -3.589 0.575 -0.390 1.00 97.06 C +ATOM 924 CB THR A 126 -5.959 1.229 -0.072 1.00 97.06 C +ATOM 925 O THR A 126 -2.879 1.260 0.343 1.00 97.06 O +ATOM 926 CG2 THR A 126 -7.185 1.967 -0.612 1.00 97.06 C +ATOM 927 OG1 THR A 126 -6.354 -0.084 0.255 1.00 97.06 O +ATOM 928 N CYS A 127 -3.331 -0.709 -0.647 1.00 97.42 N +ATOM 929 CA CYS A 127 -2.204 -1.459 -0.111 1.00 97.42 C +ATOM 930 C CYS A 127 -0.864 -1.216 -0.823 1.00 97.42 C +ATOM 931 CB CYS A 127 -2.584 -2.945 -0.063 1.00 97.42 C +ATOM 932 O CYS A 127 0.151 -1.718 -0.353 1.00 97.42 O +ATOM 933 SG CYS A 127 -3.025 -3.847 -1.584 1.00 97.42 S +ATOM 934 N ALA A 128 -0.858 -0.487 -1.940 1.00 97.30 N +ATOM 935 CA ALA A 128 0.342 -0.134 -2.701 1.00 97.30 C +ATOM 936 C ALA A 128 0.251 1.307 -3.243 1.00 97.30 C +ATOM 937 CB ALA A 128 0.563 -1.184 -3.800 1.00 97.30 C +ATOM 938 O ALA A 128 0.688 1.587 -4.356 1.00 97.30 O +ATOM 939 N ALA A 129 -0.375 2.209 -2.478 1.00 97.44 N +ATOM 940 CA ALA A 129 -0.588 3.601 -2.863 1.00 97.44 C +ATOM 941 C ALA A 129 -0.025 4.568 -1.815 1.00 97.44 C +ATOM 942 CB ALA A 129 -2.084 3.835 -3.097 1.00 97.44 C +ATOM 943 O ALA A 129 -0.355 4.454 -0.633 1.00 97.44 O +ATOM 944 N TYR A 130 0.757 5.545 -2.273 1.00 97.59 N +ATOM 945 CA TYR A 130 1.282 6.666 -1.493 1.00 97.59 C +ATOM 946 C TYR A 130 0.526 7.955 -1.831 1.00 97.59 C +ATOM 947 CB TYR A 130 2.766 6.887 -1.792 1.00 97.59 C +ATOM 948 O TYR A 130 0.332 8.262 -3.014 1.00 97.59 O +ATOM 949 CG TYR A 130 3.642 5.689 -1.525 1.00 97.59 C +ATOM 950 CD1 TYR A 130 4.092 5.418 -0.220 1.00 97.59 C +ATOM 951 CD2 TYR A 130 4.018 4.858 -2.593 1.00 97.59 C +ATOM 952 CE1 TYR A 130 4.939 4.315 0.018 1.00 97.59 C +ATOM 953 CE2 TYR A 130 4.871 3.771 -2.360 1.00 97.59 C +ATOM 954 OH TYR A 130 6.175 2.438 -0.877 1.00 97.59 O +ATOM 955 CZ TYR A 130 5.341 3.495 -1.060 1.00 97.59 C +ATOM 956 N PRO A 131 0.116 8.759 -0.840 1.00 97.30 N +ATOM 957 CA PRO A 131 -0.506 10.047 -1.109 1.00 97.30 C +ATOM 958 C PRO A 131 0.539 11.065 -1.596 1.00 97.30 C +ATOM 959 CB PRO A 131 -1.145 10.449 0.217 1.00 97.30 C +ATOM 960 O PRO A 131 1.600 11.222 -1.000 1.00 97.30 O +ATOM 961 CG PRO A 131 -0.204 9.834 1.255 1.00 97.30 C +ATOM 962 CD PRO A 131 0.289 8.550 0.593 1.00 97.30 C +ATOM 963 N VAL A 132 0.222 11.798 -2.668 1.00 96.81 N +ATOM 964 CA VAL A 132 1.050 12.914 -3.184 1.00 96.81 C +ATOM 965 C VAL A 132 0.378 14.270 -2.919 1.00 96.81 C +ATOM 966 CB VAL A 132 1.374 12.695 -4.679 1.00 96.81 C +ATOM 967 O VAL A 132 0.996 15.328 -3.028 1.00 96.81 O +ATOM 968 CG1 VAL A 132 2.296 13.775 -5.265 1.00 96.81 C +ATOM 969 CG2 VAL A 132 2.081 11.350 -4.904 1.00 96.81 C +ATOM 970 N SER A 133 -0.902 14.247 -2.553 1.00 97.27 N +ATOM 971 CA SER A 133 -1.684 15.384 -2.082 1.00 97.27 C +ATOM 972 C SER A 133 -2.727 14.906 -1.075 1.00 97.27 C +ATOM 973 CB SER A 133 -2.367 16.078 -3.271 1.00 97.27 C +ATOM 974 O SER A 133 -2.875 13.706 -0.846 1.00 97.27 O +ATOM 975 OG SER A 133 -3.466 15.337 -3.781 1.00 97.27 O +ATOM 976 N ASP A 134 -3.532 15.828 -0.547 1.00 97.85 N +ATOM 977 CA ASP A 134 -4.774 15.451 0.127 1.00 97.85 C +ATOM 978 C ASP A 134 -5.661 14.666 -0.852 1.00 97.85 C +ATOM 979 CB ASP A 134 -5.511 16.692 0.653 1.00 97.85 C +ATOM 980 O ASP A 134 -5.862 15.101 -1.993 1.00 97.85 O +ATOM 981 CG ASP A 134 -4.764 17.462 1.748 1.00 97.85 C +ATOM 982 OD1 ASP A 134 -3.760 16.944 2.289 1.00 97.85 O +ATOM 983 OD2 ASP A 134 -5.228 18.582 2.059 1.00 97.85 O +ATOM 984 N VAL A 135 -6.160 13.504 -0.425 1.00 98.07 N +ATOM 985 CA VAL A 135 -6.908 12.562 -1.274 1.00 98.07 C +ATOM 986 C VAL A 135 -8.220 12.141 -0.627 1.00 98.07 C +ATOM 987 CB VAL A 135 -6.091 11.312 -1.675 1.00 98.07 C +ATOM 988 O VAL A 135 -8.335 12.030 0.594 1.00 98.07 O +ATOM 989 CG1 VAL A 135 -5.014 11.631 -2.711 1.00 98.07 C +ATOM 990 CG2 VAL A 135 -5.441 10.610 -0.483 1.00 98.07 C +ATOM 991 N THR A 136 -9.223 11.870 -1.461 1.00 98.25 N +ATOM 992 CA THR A 136 -10.474 11.218 -1.045 1.00 98.25 C +ATOM 993 C THR A 136 -10.658 9.925 -1.824 1.00 98.25 C +ATOM 994 CB THR A 136 -11.687 12.134 -1.231 1.00 98.25 C +ATOM 995 O THR A 136 -10.713 9.961 -3.053 1.00 98.25 O +ATOM 996 CG2 THR A 136 -12.981 11.516 -0.704 1.00 98.25 C +ATOM 997 OG1 THR A 136 -11.481 13.335 -0.524 1.00 98.25 O +ATOM 998 N ILE A 137 -10.770 8.794 -1.127 1.00 98.15 N +ATOM 999 CA ILE A 137 -10.848 7.453 -1.721 1.00 98.15 C +ATOM 1000 C ILE A 137 -12.115 6.751 -1.223 1.00 98.15 C +ATOM 1001 CB ILE A 137 -9.566 6.638 -1.412 1.00 98.15 C +ATOM 1002 O ILE A 137 -12.339 6.636 -0.019 1.00 98.15 O +ATOM 1003 CG1 ILE A 137 -8.301 7.361 -1.938 1.00 98.15 C +ATOM 1004 CG2 ILE A 137 -9.665 5.225 -2.021 1.00 98.15 C +ATOM 1005 CD1 ILE A 137 -6.979 6.732 -1.486 1.00 98.15 C +ATOM 1006 N GLU A 138 -12.942 6.256 -2.141 1.00 97.71 N +ATOM 1007 CA GLU A 138 -13.987 5.281 -1.814 1.00 97.71 C +ATOM 1008 C GLU A 138 -13.362 3.901 -1.649 1.00 97.71 C +ATOM 1009 CB GLU A 138 -15.074 5.228 -2.894 1.00 97.71 C +ATOM 1010 O GLU A 138 -12.675 3.424 -2.547 1.00 97.71 O +ATOM 1011 CG GLU A 138 -16.048 6.406 -2.812 1.00 97.71 C +ATOM 1012 CD GLU A 138 -17.186 6.332 -3.843 1.00 97.71 C +ATOM 1013 OE1 GLU A 138 -18.056 7.229 -3.819 1.00 97.71 O +ATOM 1014 OE2 GLU A 138 -17.132 5.539 -4.811 1.00 97.71 O +ATOM 1015 N THR A 139 -13.601 3.255 -0.514 1.00 97.28 N +ATOM 1016 CA THR A 139 -13.034 1.937 -0.204 1.00 97.28 C +ATOM 1017 C THR A 139 -14.076 0.835 -0.396 1.00 97.28 C +ATOM 1018 CB THR A 139 -12.429 1.934 1.206 1.00 97.28 C +ATOM 1019 O THR A 139 -15.247 1.124 -0.642 1.00 97.28 O +ATOM 1020 CG2 THR A 139 -11.402 3.054 1.384 1.00 97.28 C +ATOM 1021 OG1 THR A 139 -13.421 2.119 2.185 1.00 97.28 O +ATOM 1022 N HIS A 140 -13.661 -0.432 -0.277 1.00 96.39 N +ATOM 1023 CA HIS A 140 -14.538 -1.603 -0.441 1.00 96.39 C +ATOM 1024 C HIS A 140 -15.145 -1.709 -1.851 1.00 96.39 C +ATOM 1025 CB HIS A 140 -15.606 -1.662 0.670 1.00 96.39 C +ATOM 1026 O HIS A 140 -16.324 -2.018 -2.011 1.00 96.39 O +ATOM 1027 CG HIS A 140 -15.077 -1.596 2.078 1.00 96.39 C +ATOM 1028 CD2 HIS A 140 -15.161 -2.594 3.008 1.00 96.39 C +ATOM 1029 ND1 HIS A 140 -14.502 -0.509 2.702 1.00 96.39 N +ATOM 1030 CE1 HIS A 140 -14.233 -0.849 3.973 1.00 96.39 C +ATOM 1031 NE2 HIS A 140 -14.637 -2.104 4.205 1.00 96.39 N +ATOM 1032 N LYS A 141 -14.343 -1.427 -2.885 1.00 96.60 N +ATOM 1033 CA LYS A 141 -14.799 -1.389 -4.283 1.00 96.60 C +ATOM 1034 C LYS A 141 -14.374 -2.602 -5.115 1.00 96.60 C +ATOM 1035 CB LYS A 141 -14.393 -0.053 -4.928 1.00 96.60 C +ATOM 1036 O LYS A 141 -14.487 -2.563 -6.334 1.00 96.60 O +ATOM 1037 CG LYS A 141 -14.998 1.193 -4.269 1.00 96.60 C +ATOM 1038 CD LYS A 141 -16.530 1.125 -4.307 1.00 96.60 C +ATOM 1039 CE LYS A 141 -17.134 2.518 -4.171 1.00 96.60 C +ATOM 1040 NZ LYS A 141 -18.414 2.601 -4.901 1.00 96.60 N +ATOM 1041 N GLU A 142 -13.924 -3.684 -4.479 1.00 96.32 N +ATOM 1042 CA GLU A 142 -13.527 -4.922 -5.170 1.00 96.32 C +ATOM 1043 C GLU A 142 -14.646 -5.481 -6.065 1.00 96.32 C +ATOM 1044 CB GLU A 142 -13.081 -5.962 -4.127 1.00 96.32 C +ATOM 1045 O GLU A 142 -14.396 -5.836 -7.216 1.00 96.32 O +ATOM 1046 CG GLU A 142 -12.740 -7.315 -4.775 1.00 96.32 C +ATOM 1047 CD GLU A 142 -11.996 -8.269 -3.833 1.00 96.32 C +ATOM 1048 OE1 GLU A 142 -11.043 -8.932 -4.314 1.00 96.32 O +ATOM 1049 OE2 GLU A 142 -12.308 -8.303 -2.623 1.00 96.32 O +ATOM 1050 N GLU A 143 -15.886 -5.507 -5.571 1.00 94.50 N +ATOM 1051 CA GLU A 143 -17.037 -5.992 -6.344 1.00 94.50 C +ATOM 1052 C GLU A 143 -17.321 -5.120 -7.574 1.00 94.50 C +ATOM 1053 CB GLU A 143 -18.293 -6.039 -5.459 1.00 94.50 C +ATOM 1054 O GLU A 143 -17.719 -5.636 -8.608 1.00 94.50 O +ATOM 1055 CG GLU A 143 -18.186 -7.036 -4.293 1.00 94.50 C +ATOM 1056 CD GLU A 143 -19.479 -7.151 -3.462 1.00 94.50 C +ATOM 1057 OE1 GLU A 143 -19.496 -7.995 -2.535 1.00 94.50 O +ATOM 1058 OE2 GLU A 143 -20.454 -6.411 -3.736 1.00 94.50 O +ATOM 1059 N GLU A 144 -17.087 -3.807 -7.491 1.00 94.46 N +ATOM 1060 CA GLU A 144 -17.305 -2.878 -8.607 1.00 94.46 C +ATOM 1061 C GLU A 144 -16.183 -2.972 -9.654 1.00 94.46 C +ATOM 1062 CB GLU A 144 -17.495 -1.458 -8.031 1.00 94.46 C +ATOM 1063 O GLU A 144 -16.438 -2.761 -10.833 1.00 94.46 O +ATOM 1064 CG GLU A 144 -17.913 -0.390 -9.064 1.00 94.46 C +ATOM 1065 CD GLU A 144 -18.100 1.020 -8.460 1.00 94.46 C +ATOM 1066 OE1 GLU A 144 -18.119 2.007 -9.229 1.00 94.46 O +ATOM 1067 OE2 GLU A 144 -18.266 1.162 -7.219 1.00 94.46 O +ATOM 1068 N LEU A 145 -14.961 -3.332 -9.244 1.00 92.47 N +ATOM 1069 CA LEU A 145 -13.836 -3.560 -10.158 1.00 92.47 C +ATOM 1070 C LEU A 145 -13.966 -4.881 -10.934 1.00 92.47 C +ATOM 1071 CB LEU A 145 -12.540 -3.538 -9.326 1.00 92.47 C +ATOM 1072 O LEU A 145 -13.418 -5.020 -12.024 1.00 92.47 O +ATOM 1073 CG LEU A 145 -11.241 -3.708 -10.137 1.00 92.47 C +ATOM 1074 CD1 LEU A 145 -11.015 -2.586 -11.148 1.00 92.47 C +ATOM 1075 CD2 LEU A 145 -10.056 -3.706 -9.173 1.00 92.47 C +ATOM 1076 N THR A 146 -14.643 -5.869 -10.347 1.00 89.15 N +ATOM 1077 CA THR A 146 -14.746 -7.238 -10.883 1.00 89.15 C +ATOM 1078 C THR A 146 -16.092 -7.555 -11.542 1.00 89.15 C +ATOM 1079 CB THR A 146 -14.414 -8.279 -9.802 1.00 89.15 C +ATOM 1080 O THR A 146 -16.254 -8.661 -12.066 1.00 89.15 O +ATOM 1081 CG2 THR A 146 -12.952 -8.206 -9.357 1.00 89.15 C +ATOM 1082 OG1 THR A 146 -15.195 -8.107 -8.642 1.00 89.15 O +ATOM 1083 N ALA A 147 -17.037 -6.611 -11.517 1.00 87.34 N +ATOM 1084 CA ALA A 147 -18.352 -6.709 -12.156 1.00 87.34 C +ATOM 1085 C ALA A 147 -18.301 -6.389 -13.658 1.00 87.34 C +ATOM 1086 CB ALA A 147 -19.326 -5.786 -11.410 1.00 87.34 C +ATOM 1087 O ALA A 147 -19.040 -7.071 -14.409 1.00 87.34 O +ATOM 1088 OXT ALA A 147 -17.582 -5.437 -14.021 1.00 87.34 O +TER 1089 ALA A 147 +ENDMDL +END \ No newline at end of file diff --git a/examples/AlphaFold/AF-P00221-F1-predicted_aligned_error_v4.json b/examples/AlphaFold/AF-P00221-F1-predicted_aligned_error_v4.json new file mode 100644 index 0000000..fb021a8 --- /dev/null +++ b/examples/AlphaFold/AF-P00221-F1-predicted_aligned_error_v4.json @@ -0,0 +1 @@ +[{"predicted_aligned_error":[[0,1,4,4,6,7,9,14,15,16,16,15,14,15,18,17,20,18,19,19,21,21,21,24,25,25,24,26,27,26,27,28,30,29,29,29,29,29,29,29,29,30,30,30,30,30,30,30,29,31,30,31,31,31,31,30,30,30,29,30,30,30,30,30,30,31,30,30,31,31,30,31,30,31,30,31,31,30,31,31,30,31,30,30,31,30,30,28,28,31,31,31,30,29,31,30,30,31,31,31,31,31,30,31,30,31,31,30,30,31,30,30,30,31,30,31,30,30,31,30,31,31,30,31,30,31,30,31,30,31,31,31,30,31,30,30,31,30,30,30,30,31,29,30,31,29,30],[3,0,1,3,4,6,6,8,11,13,14,15,12,14,17,16,18,19,19,19,19,21,22,24,26,24,25,26,26,27,29,28,30,29,29,29,30,30,30,31,30,31,31,31,31,31,31,31,30,31,31,31,31,31,31,30,31,30,31,30,30,30,30,30,30,31,30,31,31,31,30,30,30,31,31,30,31,31,30,30,31,31,30,30,31,30,31,29,28,31,30,31,29,28,31,30,31,31,31,31,31,30,30,31,31,31,31,31,30,31,30,30,31,31,30,30,30,31,31,31,31,31,31,31,30,31,30,30,31,30,30,30,30,31,31,30,31,30,31,31,31,31,30,30,31,29,29],[6,3,0,1,3,5,5,6,8,10,13,13,12,14,17,16,18,19,20,21,19,21,22,23,26,24,24,27,26,27,28,28,30,29,29,30,30,30,30,30,29,30,30,31,31,31,31,31,30,31,31,31,31,31,31,31,31,30,30,30,30,31,30,30,30,31,31,31,31,31,30,31,31,31,31,31,31,31,31,30,31,31,31,30,31,30,31,30,28,31,30,31,29,28,31,30,31,31,31,31,31,30,30,31,30,31,30,31,30,31,30,30,31,31,30,30,30,30,31,31,31,31,31,31,30,31,30,30,31,31,31,31,31,31,31,30,31,30,31,31,31,31,30,30,31,30,30],[6,6,3,0,1,4,4,5,5,7,10,10,11,12,16,16,17,17,17,18,17,18,18,20,22,22,21,24,25,26,27,26,29,28,28,29,29,30,29,30,28,30,29,30,30,30,30,30,30,31,30,30,30,31,31,31,30,30,30,29,30,30,30,30,30,30,30,30,30,30,29,30,30,30,31,30,30,30,30,30,30,30,30,29,31,30,30,28,26,31,28,31,27,28,31,30,31,31,31,30,31,30,29,30,30,30,30,30,30,30,30,29,30,31,29,30,30,30,31,30,30,30,30,31,30,31,30,30,31,30,30,30,30,30,30,30,31,30,31,31,31,30,30,30,31,29,29],[6,6,7,3,0,1,3,4,5,5,7,9,10,10,13,14,17,16,17,18,16,18,18,21,22,21,21,24,24,26,27,26,28,27,27,28,30,30,29,30,27,29,28,30,29,30,30,30,30,31,30,30,30,30,31,31,30,30,30,29,30,30,29,30,30,30,30,30,30,30,29,30,29,30,30,30,30,30,30,30,30,29,30,29,31,30,30,28,26,31,27,30,26,28,31,30,30,30,30,30,30,30,29,30,29,30,30,30,30,30,30,29,30,31,29,30,30,30,31,30,30,30,30,30,30,30,29,29,31,30,30,30,30,30,30,30,30,29,30,30,30,30,29,30,31,29,29],[7,6,7,7,3,0,1,4,4,6,5,7,9,9,12,13,16,16,17,17,16,17,18,20,22,21,21,24,24,26,27,27,28,27,27,28,29,30,29,30,27,29,28,30,29,30,30,30,30,30,30,30,30,30,31,30,30,30,30,29,30,30,30,30,30,30,30,30,30,30,29,30,29,31,30,30,30,30,30,30,30,29,30,29,31,30,30,28,25,31,27,30,26,28,31,30,30,31,31,30,30,30,29,30,29,30,30,30,30,30,30,29,30,31,29,30,30,30,31,30,30,30,30,30,30,31,29,30,31,30,30,30,30,30,30,30,30,30,30,31,30,30,30,30,31,29,29],[8,5,6,7,7,3,0,1,5,5,5,5,7,8,11,13,15,16,17,17,15,17,18,19,21,20,21,23,24,26,27,26,28,27,26,28,29,29,29,30,28,29,28,30,29,29,30,30,30,31,30,30,30,31,30,30,30,31,30,29,30,30,30,30,30,30,30,30,30,30,29,30,29,31,30,30,30,30,31,30,30,29,30,29,31,30,30,29,26,31,28,30,27,29,31,30,30,31,31,31,31,30,30,31,30,30,30,30,30,30,30,29,30,31,30,30,30,30,31,30,31,30,30,30,30,31,29,30,31,30,30,31,30,31,30,30,31,30,30,30,31,30,29,30,31,29,30],[10,7,6,5,6,5,3,0,1,4,5,6,6,7,11,12,15,19,18,16,17,17,19,19,21,20,21,24,24,26,27,26,27,26,26,28,29,29,29,30,28,29,29,29,30,29,30,30,29,30,30,30,30,31,30,30,30,31,30,30,30,30,30,30,30,30,30,30,30,30,29,30,30,31,30,30,30,30,30,30,30,30,30,30,31,30,30,30,27,31,27,31,28,29,31,30,31,30,31,31,31,30,30,31,30,30,30,30,30,30,30,29,30,31,30,30,30,30,30,31,31,31,30,31,29,31,30,29,30,30,31,30,30,30,31,30,31,30,30,30,31,30,30,30,31,29,30],[13,9,7,5,5,6,6,3,0,2,4,6,5,6,9,10,12,12,16,15,17,16,17,18,20,20,21,23,23,25,27,26,27,26,26,27,29,29,29,29,27,29,29,30,29,30,30,30,30,30,30,30,30,31,30,30,31,31,30,30,30,31,30,30,30,30,30,30,30,30,29,30,30,30,30,30,30,30,31,30,30,30,30,30,31,30,30,29,27,31,28,31,28,29,30,30,31,30,31,31,31,31,30,31,30,31,30,30,30,30,29,29,31,31,30,31,31,31,30,31,31,31,30,31,29,31,30,28,30,30,30,31,30,31,31,30,31,31,30,31,31,30,30,31,31,29,30],[15,12,9,7,5,6,6,5,3,0,1,4,4,5,7,8,10,11,14,14,15,15,17,18,21,20,21,22,23,24,26,26,28,27,27,28,29,29,30,30,28,29,29,30,30,30,30,30,30,30,30,30,30,31,31,31,31,31,30,30,30,31,30,30,30,30,30,30,30,30,30,30,30,31,31,30,30,30,30,30,30,30,31,30,31,30,30,30,27,31,28,31,29,29,31,30,31,31,31,31,31,31,30,31,30,31,30,30,30,30,31,29,31,31,30,30,31,31,31,30,31,31,30,31,30,31,29,30,30,30,31,30,31,31,31,31,31,30,31,31,31,31,30,31,31,30,29],[19,15,12,10,8,6,6,7,6,3,0,2,5,5,7,7,10,12,14,15,17,14,17,18,20,20,20,23,22,23,25,24,26,24,24,26,29,28,29,29,27,29,29,29,29,30,30,29,30,30,30,30,31,31,30,31,30,31,30,30,31,31,30,30,31,30,30,30,31,30,30,30,30,30,30,30,30,30,31,30,30,30,30,30,31,30,30,30,28,31,28,31,28,30,30,31,31,31,31,31,30,31,30,31,30,30,30,30,30,30,30,29,31,31,30,31,31,30,30,31,31,31,31,31,29,31,30,29,30,31,30,30,30,31,30,31,30,31,30,31,31,30,30,31,31,30,30],[21,17,14,12,10,7,6,7,7,6,3,0,1,3,5,6,7,7,11,12,15,15,16,18,20,18,19,21,21,22,24,25,26,25,25,27,29,28,29,29,27,29,29,29,30,30,30,30,30,31,30,30,30,31,30,31,30,31,31,30,30,31,30,30,30,30,30,30,30,30,29,30,30,30,30,30,30,30,30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\ No newline at end of file diff --git a/src/jalview/gui/StructureChooser.java b/src/jalview/gui/StructureChooser.java index 5612469..0823652 100644 --- a/src/jalview/gui/StructureChooser.java +++ b/src/jalview/gui/StructureChooser.java @@ -25,6 +25,7 @@ import java.awt.event.ActionEvent; import java.awt.event.ActionListener; import java.awt.event.ItemEvent; import java.io.File; +import java.io.IOException; import java.util.ArrayList; import java.util.Collection; import java.util.HashSet; @@ -43,10 +44,13 @@ import javax.swing.JTable; import javax.swing.SwingUtilities; import javax.swing.table.AbstractTableModel; +import org.json.simple.parser.ParseException; + import jalview.api.structures.JalviewStructureDisplayI; import jalview.bin.Cache; import jalview.bin.Console; import jalview.bin.Jalview; +import jalview.datamodel.AlignmentI; import jalview.datamodel.PDBEntry; import jalview.datamodel.SequenceI; import jalview.fts.api.FTSData; @@ -63,6 +67,7 @@ import jalview.gui.structurechooser.ThreeDBStructureChooserQuerySource; import jalview.io.DataSourceType; import jalview.io.JalviewFileChooser; import jalview.io.JalviewFileView; +import jalview.io.StructureFile; import jalview.jbgui.FilterOption; import jalview.jbgui.GStructureChooser; import jalview.structure.StructureImportSettings.TFType; @@ -73,6 +78,7 @@ import jalview.util.Platform; import jalview.util.StringUtils; import jalview.ws.DBRefFetcher; import jalview.ws.DBRefFetcher.FetchFinishedListenerI; +import jalview.ws.dbsources.EBIAlfaFold; import jalview.ws.seqfetcher.DbSourceProxy; import jalview.ws.sifts.SiftsSettings; @@ -1262,8 +1268,19 @@ public class StructureChooser extends GStructureChooser } else if (currentView == VIEWS_FROM_FILE) { - SequenceI userSelectedSeq = ((AssociateSeqOptions) fileChooserAssSeqPanel - .getCmb_assSeq().getSelectedItem()).getSequence(); + + // TEMPFAC NOT WORKING + TFType tft = (TFType) StructureChooser.this.combo_tempFacAs + .getSelectedItem(); + if (tft != null && tft != TFType.DEFAULT) + { + ssm.setAddTempFacAnnot(true); + } + + AssociateSeqOptions assSeqOpt = (AssociateSeqOptions) fileChooserAssSeqPanel + .getCmb_assSeq().getSelectedItem(); + + SequenceI userSelectedSeq = assSeqOpt.getSequence(); if (userSelectedSeq != null) { selectedSequence = userSelectedSeq; @@ -1272,21 +1289,30 @@ public class StructureChooser extends GStructureChooser .associatePdbWithSeq(selectedPdbFileName, DataSourceType.FILE, selectedSequence, true, Desktop.instance); - /* LOOK AT - public PDBEntry associatePdbWithSeq(String choice, DataSourceType file, - SequenceI sequence, boolean prompt, - StructureSelectionManagerProvider ssmp) - IN AssociatePdbFileWithSeq */ + List seqList = new ArrayList<>(); + seqList.add(selectedSequence); + SequenceI[] seqArray = new SequenceI[] { selectedSequence }; + StructureFile sf = ssm.computeMapping(true, seqArray, null, + selectedPdbFileName, DataSourceType.FILE, null); + // EBIAlfaFold.addAlphaFoldPAEToStructure(pdbAlignment, pae, index, + // structIdOrFile, isStructId); + StructureMapping[] sm = ssm.getMapping(fileEntry.getFile()); // DO SOMETHING WITH - if (StructureChooser.this.localPdbPaeMatrixFileName != null) + String paeFilename = StructureChooser.this.localPdbPaeMatrixFileName; + File paeFile = paeFilename == null ? null : new File(paeFilename); + if (paeFilename != null && paeFile.exists()) { - - } - if (StructureChooser.this.combo_tempFacAs - .getSelectedItem() != null) - { - + AlignmentI al = StructureChooser.this.ap.getAlignment(); + try + { + EBIAlfaFold.importPaeJSONAsContactMatrixToSequence(al, + paeFile, -1, selectedSequence.getName()); + } catch (IOException | ParseException e) + { + // TODO Auto-generated catch block + e.printStackTrace(); + } } sViewer = launchStructureViewer(ssm, new PDBEntry[] { fileEntry }, diff --git a/src/jalview/ws/dbsources/EBIAlfaFold.java b/src/jalview/ws/dbsources/EBIAlfaFold.java index bee1ae9..672f0ac 100644 --- a/src/jalview/ws/dbsources/EBIAlfaFold.java +++ b/src/jalview/ws/dbsources/EBIAlfaFold.java @@ -358,6 +358,14 @@ public class EBIAlfaFold extends EbiFileRetrievedProxy } public static boolean importPaeJSONAsContactMatrixToSequence( + AlignmentI pdbAlignment, File paeFile, int index, String seqId) + throws FileNotFoundException, IOException, ParseException + { + return importPaeJSONAsContactMatrixToSequence(pdbAlignment, + new FileInputStream(paeFile), index, seqId); + } + + public static boolean importPaeJSONAsContactMatrixToSequence( AlignmentI pdbAlignment, InputStream pae_input, int index, String seqId) throws IOException, ParseException { @@ -431,10 +439,17 @@ public class EBIAlfaFold extends EbiFileRetrievedProxy } public static boolean importPaeJSONAsContactMatrixToStructure( + StructureMapping sm, File paeFile) + throws FileNotFoundException, IOException, ParseException + { + return importPaeJSONAsContactMatrixToStructure(sm, + new FileInputStream(paeFile)); + } + + public static boolean importPaeJSONAsContactMatrixToStructure( StructureMapping sm, InputStream paeInput) throws IOException, ParseException { - JSONObject pae_obj = parseJSONtoPAEContactMatrix(paeInput); if (pae_obj == null) {