data_4632 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4632 _Entry.Title ; Solution Structure of a Pro-Apoptotic Protein BAX ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-05-18 _Entry.Accession_date 2001-03-10 _Entry.Last_release_date 2001-06-15 _Entry.Original_release_date 2001-06-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Suzuki . . . 4632 2 Y.-T. Hsu . . . 4632 3 R. Youle . J. . 4632 4 N. Tjandra . . . 4632 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID RDCs 1 4632 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'residual dipolar couplings' 604 4632 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-06-15 2000-05-18 original author . 4632 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4632 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11106734 _Citation.Full_citation . _Citation.Title ; Structure of Bax: Co-Regulation of Dimer Formation and Intracellular Localization ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full . _Citation.Journal_volume 103 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 645 _Citation.Page_last 654 _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Suzuki . . . 4632 1 2 Y.-T. Hsu . . . 4632 1 3 R. Youle . J. . 4632 1 4 N. Tjandra . . . 4632 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'helical protein' 4632 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_BAX _Assembly.Sf_category assembly _Assembly.Sf_framecode system_BAX _Assembly.Entry_ID 4632 _Assembly.ID 1 _Assembly.Name 'Pro-Apoptotic Protein BAX' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4632 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 BAX 1 $BAX . . . native . . . . . 4632 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1F16 . . . . . . 4632 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Pro-Apoptotic Protein BAX' system 4632 1 BAX abbreviation 4632 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BAX _Entity.Sf_category entity _Entity.Sf_framecode BAX _Entity.Entry_ID 4632 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PROTEIN (APOPTOSIS REGULATOR BAX, MEMBRANE ISOFORM ALPHA)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDGSGEQPRGGGPTSSEQIM KTGALLLQGFIQDRAGRMGG EAPELALDPVPQDASTKKLS ECLKRIGDELDSNMELQRMI AAVDTDSPREVFFRVAADMF SDGNFNWGRVVALFYFASKL VLKALCTKVPELIRTIMGWT LDFLRERLLGWIQDQGGWDG LLSYFGTPTWQTVTIFVAGV LTASLTIWKKMG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 192 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18340 . entity_1 . . . . . 100.00 192 100.00 100.00 3.37e-135 . . . . 4632 1 2 no PDB 1F16 . "Solution Structure Of A Pro-Apoptotic Protein Bax" . . . . . 100.00 192 100.00 100.00 3.37e-135 . . . . 4632 1 3 no PDB 2K7W . "Bax Activation Is Initiated At A Novel Interaction Site" . . . . . 100.00 192 100.00 100.00 3.37e-135 . . . . 4632 1 4 no PDB 2LR1 . "Structural Mechanism For Bax Inhibition By Cytomegalovirus Protein Vmia" . . . . . 100.00 192 100.00 100.00 3.37e-135 . . . . 4632 1 5 no PDB 4BD2 . "Bax Domain Swapped Dimer In Complex With Bidbh3" . . . . . 89.06 174 98.83 98.83 1.61e-117 . . . . 4632 1 6 no PDB 4BD6 . "Bax Domain Swapped Dimer In Complex With Baxbh3" . . . . . 89.06 174 98.83 98.83 1.61e-117 . . . . 4632 1 7 no PDB 4BD7 . "Bax Domain Swapped Dimer Induced By Octylmaltoside" . . . . . 89.06 174 98.83 98.83 1.61e-117 . . . . 4632 1 8 no PDB 4BD8 . "Bax Domain Swapped Dimer Induced By Bimbh3 With Chaps" . . . . . 89.06 174 98.83 98.83 1.61e-117 . . . . 4632 1 9 no PDB 4ZIE . "Crystal Structure Of Core/latch Dimer Of Bax In Complex With Bimbh3" . . . . . 86.98 168 98.20 98.80 2.05e-113 . . . . 4632 1 10 no PDB 4ZIF . "Crystal Structure Of Core/latch Dimer Of Bax In Complex With Bimbh3mini" . . . . . 86.98 168 98.20 98.80 2.05e-113 . . . . 4632 1 11 no PDB 4ZIG . "Crystal Structure Of Core/latch Dimer Of Bax In Complex With Bidbh3mini" . . . . . 86.98 168 98.20 98.80 2.05e-113 . . . . 4632 1 12 no PDB 4ZIH . "Crystal Structure Of Core/latch Dimer Of Bax In Complex With Bimbh3mini" . . . . . 85.42 167 98.78 98.78 2.03e-111 . . . . 4632 1 13 no PDB 4ZII . "Crystal Structure Of Core/latch Dimer Of Baxi66a In Complex With Bidbh3" . . . . . 88.54 170 98.82 98.82 1.27e-116 . . . . 4632 1 14 no DBJ BAC53619 . "Bax [Canis lupus familiaris]" . . . . . 100.00 192 97.40 98.44 2.19e-131 . . . . 4632 1 15 no DBJ BAF83765 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 192 100.00 100.00 3.37e-135 . . . . 4632 1 16 no DBJ BAI46883 . "BCL2-associated X protein [synthetic construct]" . . . . . 84.38 218 98.77 98.77 5.99e-109 . . . . 4632 1 17 no EMBL CAD10744 . "bax isoform psi [Homo sapiens]" . . . . . 90.10 173 100.00 100.00 1.52e-120 . . . . 4632 1 18 no EMBL CCF78739 . "Bcl associated protein x, partial [Bubalus bubalis]" . . . . . 74.48 150 98.60 99.30 7.68e-96 . . . . 4632 1 19 no GB AAA03619 . "Bax alpha [Homo sapiens]" . . . . . 100.00 192 100.00 100.00 3.37e-135 . . . . 4632 1 20 no GB AAA03620 . "Bax beta [Homo sapiens]" . . . . . 84.38 218 98.77 98.77 5.99e-109 . . . . 4632 1 21 no GB AAC48806 . "bax-alpha [Bos taurus]" . . . . . 100.00 192 97.40 98.44 1.18e-131 . . . . 4632 1 22 no GB AAD22706 . "bax epsilon [Homo sapiens]" . . . . . 64.58 164 100.00 100.00 1.34e-80 . . . . 4632 1 23 no GB AAF82094 . "Bax zeta [Homo sapiens]" . . . . . 59.38 114 100.00 100.00 5.36e-75 . . . . 4632 1 24 no REF NP_001003011 . "apoptosis regulator BAX [Canis lupus familiaris]" . . . . . 100.00 192 97.40 98.44 2.19e-131 . . . . 4632 1 25 no REF NP_001247945 . "apoptosis regulator BAX [Macaca mulatta]" . . . . . 100.00 192 98.44 98.96 2.03e-133 . . . . 4632 1 26 no REF NP_001278357 . "apoptosis regulator BAX isoform 1 [Homo sapiens]" . . . . . 82.29 221 100.00 100.00 1.75e-108 . . . . 4632 1 27 no REF NP_001278358 . "apoptosis regulator BAX gamma [Homo sapiens]" . . . . . 65.10 181 98.40 98.40 4.38e-81 . . . . 4632 1 28 no REF NP_001278360 . "apoptosis regulator BAX isoform zeta [Homo sapiens]" . . . . . 59.38 114 100.00 100.00 5.36e-75 . . . . 4632 1 29 no SP O02703 . "RecName: Full=Apoptosis regulator BAX" . . . . . 100.00 192 97.40 98.44 1.18e-131 . . . . 4632 1 30 no SP Q07812 . "RecName: Full=Apoptosis regulator BAX; AltName: Full=Bcl-2-like protein 4; Short=Bcl2-L-4" . . . . . 100.00 192 100.00 100.00 3.37e-135 . . . . 4632 1 31 no TPG DAA19512 . "TPA: apoptosis regulator BAX [Bos taurus]" . . . . . 100.00 192 97.40 98.44 1.18e-131 . . . . 4632 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PROTEIN (APOPTOSIS REGULATOR BAX, MEMBRANE ISOFORM ALPHA)' common 4632 1 BAX abbreviation 4632 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4632 1 2 . ASP . 4632 1 3 . GLY . 4632 1 4 . SER . 4632 1 5 . GLY . 4632 1 6 . GLU . 4632 1 7 . GLN . 4632 1 8 . PRO . 4632 1 9 . ARG . 4632 1 10 . GLY . 4632 1 11 . GLY . 4632 1 12 . GLY . 4632 1 13 . PRO . 4632 1 14 . THR . 4632 1 15 . SER . 4632 1 16 . SER . 4632 1 17 . GLU . 4632 1 18 . GLN . 4632 1 19 . ILE . 4632 1 20 . MET . 4632 1 21 . LYS . 4632 1 22 . THR . 4632 1 23 . GLY . 4632 1 24 . ALA . 4632 1 25 . LEU . 4632 1 26 . LEU . 4632 1 27 . LEU . 4632 1 28 . GLN . 4632 1 29 . GLY . 4632 1 30 . PHE . 4632 1 31 . ILE . 4632 1 32 . GLN . 4632 1 33 . ASP . 4632 1 34 . ARG . 4632 1 35 . ALA . 4632 1 36 . GLY . 4632 1 37 . ARG . 4632 1 38 . MET . 4632 1 39 . GLY . 4632 1 40 . GLY . 4632 1 41 . GLU . 4632 1 42 . ALA . 4632 1 43 . PRO . 4632 1 44 . GLU . 4632 1 45 . LEU . 4632 1 46 . ALA . 4632 1 47 . LEU . 4632 1 48 . ASP . 4632 1 49 . PRO . 4632 1 50 . VAL . 4632 1 51 . PRO . 4632 1 52 . GLN . 4632 1 53 . ASP . 4632 1 54 . ALA . 4632 1 55 . SER . 4632 1 56 . THR . 4632 1 57 . LYS . 4632 1 58 . LYS . 4632 1 59 . LEU . 4632 1 60 . SER . 4632 1 61 . GLU . 4632 1 62 . CYS . 4632 1 63 . LEU . 4632 1 64 . LYS . 4632 1 65 . ARG . 4632 1 66 . ILE . 4632 1 67 . GLY . 4632 1 68 . ASP . 4632 1 69 . GLU . 4632 1 70 . LEU . 4632 1 71 . ASP . 4632 1 72 . SER . 4632 1 73 . ASN . 4632 1 74 . MET . 4632 1 75 . GLU . 4632 1 76 . LEU . 4632 1 77 . GLN . 4632 1 78 . ARG . 4632 1 79 . MET . 4632 1 80 . ILE . 4632 1 81 . ALA . 4632 1 82 . ALA . 4632 1 83 . VAL . 4632 1 84 . ASP . 4632 1 85 . THR . 4632 1 86 . ASP . 4632 1 87 . SER . 4632 1 88 . PRO . 4632 1 89 . ARG . 4632 1 90 . GLU . 4632 1 91 . VAL . 4632 1 92 . PHE . 4632 1 93 . PHE . 4632 1 94 . ARG . 4632 1 95 . VAL . 4632 1 96 . ALA . 4632 1 97 . ALA . 4632 1 98 . ASP . 4632 1 99 . MET . 4632 1 100 . PHE . 4632 1 101 . SER . 4632 1 102 . ASP . 4632 1 103 . GLY . 4632 1 104 . ASN . 4632 1 105 . PHE . 4632 1 106 . ASN . 4632 1 107 . TRP . 4632 1 108 . GLY . 4632 1 109 . ARG . 4632 1 110 . VAL . 4632 1 111 . VAL . 4632 1 112 . ALA . 4632 1 113 . LEU . 4632 1 114 . PHE . 4632 1 115 . TYR . 4632 1 116 . PHE . 4632 1 117 . ALA . 4632 1 118 . SER . 4632 1 119 . LYS . 4632 1 120 . LEU . 4632 1 121 . VAL . 4632 1 122 . LEU . 4632 1 123 . LYS . 4632 1 124 . ALA . 4632 1 125 . LEU . 4632 1 126 . CYS . 4632 1 127 . THR . 4632 1 128 . LYS . 4632 1 129 . VAL . 4632 1 130 . PRO . 4632 1 131 . GLU . 4632 1 132 . LEU . 4632 1 133 . ILE . 4632 1 134 . ARG . 4632 1 135 . THR . 4632 1 136 . ILE . 4632 1 137 . MET . 4632 1 138 . GLY . 4632 1 139 . TRP . 4632 1 140 . THR . 4632 1 141 . LEU . 4632 1 142 . ASP . 4632 1 143 . PHE . 4632 1 144 . LEU . 4632 1 145 . ARG . 4632 1 146 . GLU . 4632 1 147 . ARG . 4632 1 148 . LEU . 4632 1 149 . LEU . 4632 1 150 . GLY . 4632 1 151 . TRP . 4632 1 152 . ILE . 4632 1 153 . GLN . 4632 1 154 . ASP . 4632 1 155 . GLN . 4632 1 156 . GLY . 4632 1 157 . GLY . 4632 1 158 . TRP . 4632 1 159 . ASP . 4632 1 160 . GLY . 4632 1 161 . LEU . 4632 1 162 . LEU . 4632 1 163 . SER . 4632 1 164 . TYR . 4632 1 165 . PHE . 4632 1 166 . GLY . 4632 1 167 . THR . 4632 1 168 . PRO . 4632 1 169 . THR . 4632 1 170 . TRP . 4632 1 171 . GLN . 4632 1 172 . THR . 4632 1 173 . VAL . 4632 1 174 . THR . 4632 1 175 . ILE . 4632 1 176 . PHE . 4632 1 177 . VAL . 4632 1 178 . ALA . 4632 1 179 . GLY . 4632 1 180 . VAL . 4632 1 181 . LEU . 4632 1 182 . THR . 4632 1 183 . ALA . 4632 1 184 . SER . 4632 1 185 . LEU . 4632 1 186 . THR . 4632 1 187 . ILE . 4632 1 188 . TRP . 4632 1 189 . LYS . 4632 1 190 . LYS . 4632 1 191 . MET . 4632 1 192 . GLY . 4632 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4632 1 . ASP 2 2 4632 1 . GLY 3 3 4632 1 . SER 4 4 4632 1 . GLY 5 5 4632 1 . GLU 6 6 4632 1 . GLN 7 7 4632 1 . PRO 8 8 4632 1 . ARG 9 9 4632 1 . GLY 10 10 4632 1 . GLY 11 11 4632 1 . GLY 12 12 4632 1 . PRO 13 13 4632 1 . THR 14 14 4632 1 . SER 15 15 4632 1 . SER 16 16 4632 1 . GLU 17 17 4632 1 . GLN 18 18 4632 1 . ILE 19 19 4632 1 . MET 20 20 4632 1 . LYS 21 21 4632 1 . THR 22 22 4632 1 . GLY 23 23 4632 1 . ALA 24 24 4632 1 . LEU 25 25 4632 1 . LEU 26 26 4632 1 . LEU 27 27 4632 1 . GLN 28 28 4632 1 . GLY 29 29 4632 1 . PHE 30 30 4632 1 . ILE 31 31 4632 1 . GLN 32 32 4632 1 . ASP 33 33 4632 1 . ARG 34 34 4632 1 . ALA 35 35 4632 1 . GLY 36 36 4632 1 . ARG 37 37 4632 1 . MET 38 38 4632 1 . GLY 39 39 4632 1 . GLY 40 40 4632 1 . GLU 41 41 4632 1 . ALA 42 42 4632 1 . PRO 43 43 4632 1 . GLU 44 44 4632 1 . LEU 45 45 4632 1 . ALA 46 46 4632 1 . LEU 47 47 4632 1 . ASP 48 48 4632 1 . PRO 49 49 4632 1 . VAL 50 50 4632 1 . PRO 51 51 4632 1 . GLN 52 52 4632 1 . ASP 53 53 4632 1 . ALA 54 54 4632 1 . SER 55 55 4632 1 . THR 56 56 4632 1 . LYS 57 57 4632 1 . LYS 58 58 4632 1 . LEU 59 59 4632 1 . SER 60 60 4632 1 . GLU 61 61 4632 1 . CYS 62 62 4632 1 . LEU 63 63 4632 1 . LYS 64 64 4632 1 . ARG 65 65 4632 1 . ILE 66 66 4632 1 . GLY 67 67 4632 1 . ASP 68 68 4632 1 . GLU 69 69 4632 1 . LEU 70 70 4632 1 . ASP 71 71 4632 1 . SER 72 72 4632 1 . ASN 73 73 4632 1 . MET 74 74 4632 1 . GLU 75 75 4632 1 . LEU 76 76 4632 1 . GLN 77 77 4632 1 . ARG 78 78 4632 1 . MET 79 79 4632 1 . ILE 80 80 4632 1 . ALA 81 81 4632 1 . ALA 82 82 4632 1 . VAL 83 83 4632 1 . ASP 84 84 4632 1 . THR 85 85 4632 1 . ASP 86 86 4632 1 . SER 87 87 4632 1 . PRO 88 88 4632 1 . ARG 89 89 4632 1 . GLU 90 90 4632 1 . VAL 91 91 4632 1 . PHE 92 92 4632 1 . PHE 93 93 4632 1 . ARG 94 94 4632 1 . VAL 95 95 4632 1 . ALA 96 96 4632 1 . ALA 97 97 4632 1 . ASP 98 98 4632 1 . MET 99 99 4632 1 . PHE 100 100 4632 1 . SER 101 101 4632 1 . ASP 102 102 4632 1 . GLY 103 103 4632 1 . ASN 104 104 4632 1 . PHE 105 105 4632 1 . ASN 106 106 4632 1 . TRP 107 107 4632 1 . GLY 108 108 4632 1 . ARG 109 109 4632 1 . VAL 110 110 4632 1 . VAL 111 111 4632 1 . ALA 112 112 4632 1 . LEU 113 113 4632 1 . PHE 114 114 4632 1 . TYR 115 115 4632 1 . PHE 116 116 4632 1 . ALA 117 117 4632 1 . SER 118 118 4632 1 . LYS 119 119 4632 1 . LEU 120 120 4632 1 . VAL 121 121 4632 1 . LEU 122 122 4632 1 . LYS 123 123 4632 1 . ALA 124 124 4632 1 . LEU 125 125 4632 1 . CYS 126 126 4632 1 . THR 127 127 4632 1 . LYS 128 128 4632 1 . VAL 129 129 4632 1 . PRO 130 130 4632 1 . GLU 131 131 4632 1 . LEU 132 132 4632 1 . ILE 133 133 4632 1 . ARG 134 134 4632 1 . THR 135 135 4632 1 . ILE 136 136 4632 1 . MET 137 137 4632 1 . GLY 138 138 4632 1 . TRP 139 139 4632 1 . THR 140 140 4632 1 . LEU 141 141 4632 1 . ASP 142 142 4632 1 . PHE 143 143 4632 1 . LEU 144 144 4632 1 . ARG 145 145 4632 1 . GLU 146 146 4632 1 . ARG 147 147 4632 1 . LEU 148 148 4632 1 . LEU 149 149 4632 1 . GLY 150 150 4632 1 . TRP 151 151 4632 1 . ILE 152 152 4632 1 . GLN 153 153 4632 1 . ASP 154 154 4632 1 . GLN 155 155 4632 1 . GLY 156 156 4632 1 . GLY 157 157 4632 1 . TRP 158 158 4632 1 . ASP 159 159 4632 1 . GLY 160 160 4632 1 . LEU 161 161 4632 1 . LEU 162 162 4632 1 . SER 163 163 4632 1 . TYR 164 164 4632 1 . PHE 165 165 4632 1 . GLY 166 166 4632 1 . THR 167 167 4632 1 . PRO 168 168 4632 1 . THR 169 169 4632 1 . TRP 170 170 4632 1 . GLN 171 171 4632 1 . THR 172 172 4632 1 . VAL 173 173 4632 1 . THR 174 174 4632 1 . ILE 175 175 4632 1 . PHE 176 176 4632 1 . VAL 177 177 4632 1 . ALA 178 178 4632 1 . GLY 179 179 4632 1 . VAL 180 180 4632 1 . LEU 181 181 4632 1 . THR 182 182 4632 1 . ALA 183 183 4632 1 . SER 184 184 4632 1 . LEU 185 185 4632 1 . THR 186 186 4632 1 . ILE 187 187 4632 1 . TRP 188 188 4632 1 . LYS 189 189 4632 1 . LYS 190 190 4632 1 . MET 191 191 4632 1 . GLY 192 192 4632 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4632 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BAX . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4632 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 4632 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BAX . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4632 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4632 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PROTEIN (APOPTOSIS REGULATOR BAX, MEMBRANE ISOFORM ALPHA)' '[U-15N; U-13C]' . . 1 $BAX . . 1 . . mM . . . . 4632 1 2 tris-acetate . . . . . . . 10 . . mM . . . . 4632 1 3 DTT . . . . . . . 2 . . mM . . . . 4632 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4632 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.00 . pH 4632 1 temperature 305.00 . K 4632 1 'ionic strength' 0.01 . M 4632 1 pressure 1 . atm 4632 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4632 _Software.ID 1 _Software.Name X-PLOR _Software.Version 3.840 _Software.Details BRUNGER loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 4632 1 stop_ save_ save_NMRPIPE_1.7_REV _Software.Sf_category software _Software.Sf_framecode NMRPIPE_1.7_REV _Software.Entry_ID 4632 _Software.ID 2 _Software.Name NMRPIPE _Software.Version '1.7 REV (1999.039.11.31)' _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4632 2 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 4632 _Software.ID 3 _Software.Name PIPP _Software.Version 4.1.5 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4632 3 stop_ save_ save_UXNMR _Software.Sf_category software _Software.Sf_framecode UXNMR _Software.Entry_ID 4632 _Software.ID 4 _Software.Name UXNMR _Software.Version 2.5 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4632 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4632 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4632 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 BRUKER DRX . 800 . . . 4632 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4632 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '4D 13C/15N-SEPARATED NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4632 1 2 '4D 13C-SEPARATED NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4632 1 3 '3D 15N-SEPARATED NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4632 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_residual_dipolar_couplings _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode residual_dipolar_couplings _RDC_list.Entry_ID 4632 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_cond_1 _RDC_list.Spectrometer_frequency_1H 800 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID . . 1 $sample_1 . 4632 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DCAC . 1 1 2 2 ASP CA C . . . 1 1 2 2 ASP C C . . 0.437 . . . . . . . . . . . . . . 4632 1 2 DCAHA . 1 1 2 2 ASP CA C . . . 1 1 2 2 ASP HA H . . -1.316 . . . . . . . . . . . . . . 4632 1 3 DCAC . 1 1 3 3 GLY CA C . . . 1 1 3 3 GLY C C . . 0.272 . . . . . . . . . . . . . . 4632 1 4 DCAHA . 1 1 3 3 GLY CA C . . . 1 1 3 3 GLY HA H . . -1.049 . . . . . . . . . . . . . . 4632 1 5 DNHN . 1 1 3 3 GLY N N . . . 1 1 3 3 GLY H H . . 0.777 . . . . . . . . . . . . . . 4632 1 6 DCAC . 1 1 4 4 SER CA C . . . 1 1 4 4 SER C C . . -0.132 . . . . . . . . . . . . . . 4632 1 7 DCAHA . 1 1 4 4 SER CA C . . . 1 1 4 4 SER HA H . . -0.452 . . . . . . . . . . . . . . 4632 1 8 DNHN . 1 1 4 4 SER N N . . . 1 1 4 4 SER H H . . 0.359 . . . . . . . . . . . . . . 4632 1 9 DCAC . 1 1 5 5 GLY CA C . . . 1 1 5 5 GLY C C . . -0.292 . . . . . . . . . . . . . . 4632 1 10 DCAHA . 1 1 5 5 GLY CA C . . . 1 1 5 5 GLY HA H . . 0.465 . . . . . . . . . . . . . . 4632 1 11 DNHN . 1 1 5 5 GLY N N . . . 1 1 5 5 GLY H H . . 0.856 . . . . . . . . . . . . . . 4632 1 12 DCAHA . 1 1 6 6 GLU CA C . . . 1 1 6 6 GLU HA H . . 3.631 . . . . . . . . . . . . . . 4632 1 13 DCAHA . 1 1 7 7 GLN CA C . . . 1 1 7 7 GLN HA H . . 3.826 . . . . . . . . . . . . . . 4632 1 14 DCBHB . 1 1 7 7 GLN CB C . . . 1 1 7 7 GLN HB H . . -2.326 . . . . . . . . . . . . . . 4632 1 15 DCGHG . 1 1 7 7 GLN CG C . . . 1 1 7 7 GLN HG H . . -1.265 . . . . . . . . . . . . . . 4632 1 16 DNHN . 1 1 7 7 GLN N N . . . 1 1 7 7 GLN H H . . 2.433 . . . . . . . . . . . . . . 4632 1 17 DCAC . 1 1 8 8 PRO CA C . . . 1 1 8 8 PRO C C . . -0.397 . . . . . . . . . . . . . . 4632 1 18 DCAHA . 1 1 8 8 PRO CA C . . . 1 1 8 8 PRO HA H . . 3.058 . . . . . . . . . . . . . . 4632 1 19 DCAC . 1 1 9 9 ARG CA C . . . 1 1 9 9 ARG C C . . -0.535 . . . . . . . . . . . . . . 4632 1 20 DCAHA . 1 1 9 9 ARG CA C . . . 1 1 9 9 ARG HA H . . 2.027 . . . . . . . . . . . . . . 4632 1 21 DCBHB . 1 1 9 9 ARG CB C . . . 1 1 9 9 ARG HB H . . -7.443 . . . . . . . . . . . . . . 4632 1 22 DNHN . 1 1 9 9 ARG N N . . . 1 1 9 9 ARG H H . . 1.641 . . . . . . . . . . . . . . 4632 1 23 DCAC . 1 1 10 10 GLY CA C . . . 1 1 10 10 GLY C C . . -0.050 . . . . . . . . . . . . . . 4632 1 24 DNHN . 1 1 10 10 GLY N N . . . 1 1 10 10 GLY H H . . 1.833 . . . . . . . . . . . . . . 4632 1 25 DCAC . 1 1 11 11 GLY CA C . . . 1 1 11 11 GLY C C . . 0.998 . . . . . . . . . . . . . . 4632 1 26 DCAHA . 1 1 11 11 GLY CA C . . . 1 1 11 11 GLY HA H . . -10.092 . . . . . . . . . . . . . . 4632 1 27 DNHN . 1 1 12 12 GLY N N . . . 1 1 12 12 GLY H H . . -2.590 . . . . . . . . . . . . . . 4632 1 28 DCAC . 1 1 13 13 PRO CA C . . . 1 1 13 13 PRO C C . . -0.483 . . . . . . . . . . . . . . 4632 1 29 DCAHA . 1 1 13 13 PRO CA C . . . 1 1 13 13 PRO HA H . . -15.713 . . . . . . . . . . . . . . 4632 1 30 DCBHB . 1 1 13 13 PRO CB C . . . 1 1 13 13 PRO HB H . . -36.043 . . . . . . . . . . . . . . 4632 1 31 DCGHG . 1 1 13 13 PRO CG C . . . 1 1 13 13 PRO HG H . . -17.897 . . . . . . . . . . . . . . 4632 1 32 DCAC . 1 1 14 14 THR CA C . . . 1 1 14 14 THR C C . . 3.117 . . . . . . . . . . . . . . 4632 1 33 DCAHA . 1 1 14 14 THR CA C . . . 1 1 14 14 THR HA H . . -10.909 . . . . . . . . . . . . . . 4632 1 34 DCBCG . 1 1 14 14 THR CB C . . . 1 1 14 14 THR CG2 C . . 9.397 . . . . . . . . . . . . . . 4632 1 35 DCBHB . 1 1 14 14 THR CB C . . . 1 1 14 14 THR HB H . . 5.336 . . . . . . . . . . . . . . 4632 1 36 DNHN . 1 1 14 14 THR N N . . . 1 1 14 14 THR H H . . -2.141 . . . . . . . . . . . . . . 4632 1 37 DCAC . 1 1 15 15 SER CA C . . . 1 1 15 15 SER C C . . -0.635 . . . . . . . . . . . . . . 4632 1 38 DCAHA . 1 1 15 15 SER CA C . . . 1 1 15 15 SER HA H . . -17.814 . . . . . . . . . . . . . . 4632 1 39 DCBHB . 1 1 15 15 SER CB C . . . 1 1 15 15 SER HB H . . 47.175 . . . . . . . . . . . . . . 4632 1 40 DNHN . 1 1 15 15 SER N N . . . 1 1 15 15 SER H H . . 1.264 . . . . . . . . . . . . . . 4632 1 41 DCAC . 1 1 16 16 SER CA C . . . 1 1 16 16 SER C C . . -2.624 . . . . . . . . . . . . . . 4632 1 42 DNHN . 1 1 16 16 SER N N . . . 1 1 16 16 SER H H . . -8.555 . . . . . . . . . . . . . . 4632 1 43 DCAC . 1 1 17 17 GLU CA C . . . 1 1 17 17 GLU C C . . 0.861 . . . . . . . . . . . . . . 4632 1 44 DCAHA . 1 1 17 17 GLU CA C . . . 1 1 17 17 GLU HA H . . 11.946 . . . . . . . . . . . . . . 4632 1 45 DNHN . 1 1 17 17 GLU N N . . . 1 1 17 17 GLU H H . . -8.913 . . . . . . . . . . . . . . 4632 1 46 DCAC . 1 1 18 18 GLN CA C . . . 1 1 18 18 GLN C C . . 0.492 . . . . . . . . . . . . . . 4632 1 47 DCAHA . 1 1 18 18 GLN CA C . . . 1 1 18 18 GLN HA H . . -34.835 . . . . . . . . . . . . . . 4632 1 48 DCGHG . 1 1 18 18 GLN CG C . . . 1 1 18 18 GLN HG H . . 2.138 . . . . . . . . . . . . . . 4632 1 49 DNHN . 1 1 18 18 GLN N N . . . 1 1 18 18 GLN H H . . -17.656 . . . . . . . . . . . . . . 4632 1 50 DCAC . 1 1 19 19 ILE CA C . . . 1 1 19 19 ILE C C . . -2.342 . . . . . . . . . . . . . . 4632 1 51 DCAHA . 1 1 19 19 ILE CA C . . . 1 1 19 19 ILE HA H . . 41.657 . . . . . . . . . . . . . . 4632 1 52 DCBCG . 1 1 19 19 ILE CB C . . . 1 1 19 19 ILE CG2 C . . -1.093 . . . . . . . . . . . . . . 4632 1 53 DCGCD . 1 1 19 19 ILE CG1 C . . . 1 1 19 19 ILE CD1 C . . -21.651 . . . . . . . . . . . . . . 4632 1 54 DNHN . 1 1 19 19 ILE N N . . . 1 1 19 19 ILE H H . . -9.540 . . . . . . . . . . . . . . 4632 1 55 DCAC . 1 1 20 20 MET CA C . . . 1 1 20 20 MET C C . . -4.795 . . . . . . . . . . . . . . 4632 1 56 DCAHA . 1 1 20 20 MET CA C . . . 1 1 20 20 MET HA H . . 3.679 . . . . . . . . . . . . . . 4632 1 57 DNHN . 1 1 20 20 MET N N . . . 1 1 20 20 MET H H . . -7.731 . . . . . . . . . . . . . . 4632 1 58 DSDCE . 1 1 20 20 MET SD S . . . 1 1 20 20 MET CE C . . -18.474 . . . . . . . . . . . . . . 4632 1 59 DCAC . 1 1 21 21 LYS CA C . . . 1 1 21 21 LYS C C . . 2.220 . . . . . . . . . . . . . . 4632 1 60 DCAHA . 1 1 21 21 LYS CA C . . . 1 1 21 21 LYS HA H . . -3.227 . . . . . . . . . . . . . . 4632 1 61 DNHN . 1 1 21 21 LYS N N . . . 1 1 21 21 LYS H H . . -13.598 . . . . . . . . . . . . . . 4632 1 62 DCAHA . 1 1 22 22 THR CA C . . . 1 1 22 22 THR HA H . . -18.060 . . . . . . . . . . . . . . 4632 1 63 DCBCG . 1 1 22 22 THR CB C . . . 1 1 22 22 THR CG2 C . . 26.870 . . . . . . . . . . . . . . 4632 1 64 DNHN . 1 1 22 22 THR N N . . . 1 1 22 22 THR H H . . -19.119 . . . . . . . . . . . . . . 4632 1 65 DCAC . 1 1 23 23 GLY CA C . . . 1 1 23 23 GLY C C . . -2.373 . . . . . . . . . . . . . . 4632 1 66 DCAHA . 1 1 23 23 GLY CA C . . . 1 1 23 23 GLY HA H . . 32.321 . . . . . . . . . . . . . . 4632 1 67 DNHN . 1 1 23 23 GLY N N . . . 1 1 23 23 GLY H H . . -7.653 . . . . . . . . . . . . . . 4632 1 68 DCACB . 1 1 24 24 ALA CA C . . . 1 1 24 24 ALA CB C . . 17.641 . . . . . . . . . . . . . . 4632 1 69 DCAHA . 1 1 24 24 ALA CA C . . . 1 1 24 24 ALA HA H . . 4.653 . . . . . . . . . . . . . . 4632 1 70 DNHN . 1 1 24 24 ALA N N . . . 1 1 24 24 ALA H H . . -5.579 . . . . . . . . . . . . . . 4632 1 71 DCAC . 1 1 25 25 LEU CA C . . . 1 1 25 25 LEU C C . . -2.203 . . . . . . . . . . . . . . 4632 1 72 DCAHA . 1 1 25 25 LEU CA C . . . 1 1 25 25 LEU HA H . . -27.978 . . . . . . . . . . . . . . 4632 1 73 DNHN . 1 1 25 25 LEU N N . . . 1 1 25 25 LEU H H . . -20.492 . . . . . . . . . . . . . . 4632 1 74 DCAHA . 1 1 26 26 LEU CA C . . . 1 1 26 26 LEU HA H . . 36.593 . . . . . . . . . . . . . . 4632 1 75 DCGCD . 1 1 26 26 LEU CG C . . . 1 1 26 26 LEU CD1 C . . -7.890 . . . . . . . . . . . . . . 4632 1 76 DNHN . 1 1 26 26 LEU N N . . . 1 1 26 26 LEU H H . . -14.936 . . . . . . . . . . . . . . 4632 1 77 DCAC . 1 1 27 27 LEU CA C . . . 1 1 27 27 LEU C C . . -4.752 . . . . . . . . . . . . . . 4632 1 78 DCAHA . 1 1 27 27 LEU CA C . . . 1 1 27 27 LEU HA H . . 15.598 . . . . . . . . . . . . . . 4632 1 79 DCGCD . 1 1 27 27 LEU CG C . . . 1 1 27 27 LEU CD1 C . . 4.850 . . . . . . . . . . . . . . 4632 1 80 DCGCD . 1 1 27 27 LEU CG C . . . 1 1 27 27 LEU CD1 C . . 27.901 . . . . . . . . . . . . . . 4632 1 81 DCGCD . 1 1 27 27 LEU CG C . . . 1 1 27 27 LEU CD2 C . . 4.850 . . . . . . . . . . . . . . 4632 1 82 DNHN . 1 1 27 27 LEU N N . . . 1 1 27 27 LEU H H . . -5.634 . . . . . . . . . . . . . . 4632 1 83 DCAC . 1 1 28 28 GLN CA C . . . 1 1 28 28 GLN C C . . 3.578 . . . . . . . . . . . . . . 4632 1 84 DCAHA . 1 1 28 28 GLN CA C . . . 1 1 28 28 GLN HA H . . 7.239 . . . . . . . . . . . . . . 4632 1 85 DNHN . 1 1 28 28 GLN N N . . . 1 1 28 28 GLN H H . . -8.115 . . . . . . . . . . . . . . 4632 1 86 DCAC . 1 1 29 29 GLY CA C . . . 1 1 29 29 GLY C C . . -0.342 . . . . . . . . . . . . . . 4632 1 87 DNHN . 1 1 29 29 GLY N N . . . 1 1 29 29 GLY H H . . -18.358 . . . . . . . . . . . . . . 4632 1 88 DCAC . 1 1 30 30 PHE CA C . . . 1 1 30 30 PHE C C . . -0.466 . . . . . . . . . . . . . . 4632 1 89 DCAHA . 1 1 30 30 PHE CA C . . . 1 1 30 30 PHE HA H . . 46.112 . . . . . . . . . . . . . . 4632 1 90 DCAHA . 1 1 31 31 ILE CA C . . . 1 1 31 31 ILE HA H . . -3.980 . . . . . . . . . . . . . . 4632 1 91 DCBCG . 1 1 31 31 ILE CB C . . . 1 1 31 31 ILE CG2 C . . -15.214 . . . . . . . . . . . . . . 4632 1 92 DCGCD . 1 1 31 31 ILE CG1 C . . . 1 1 31 31 ILE CD1 C . . 21.048 . . . . . . . . . . . . . . 4632 1 93 DNHN . 1 1 31 31 ILE N N . . . 1 1 31 31 ILE H H . . -3.052 . . . . . . . . . . . . . . 4632 1 94 DCAC . 1 1 32 32 GLN CA C . . . 1 1 32 32 GLN C C . . 2.662 . . . . . . . . . . . . . . 4632 1 95 DCAHA . 1 1 32 32 GLN CA C . . . 1 1 32 32 GLN HA H . . -3.837 . . . . . . . . . . . . . . 4632 1 96 DNHN . 1 1 32 32 GLN N N . . . 1 1 32 32 GLN H H . . -9.257 . . . . . . . . . . . . . . 4632 1 97 DCAC . 1 1 33 33 ASP CA C . . . 1 1 33 33 ASP C C . . -1.065 . . . . . . . . . . . . . . 4632 1 98 DCAHA . 1 1 33 33 ASP CA C . . . 1 1 33 33 ASP HA H . . -16.526 . . . . . . . . . . . . . . 4632 1 99 DNHN . 1 1 33 33 ASP N N . . . 1 1 33 33 ASP H H . . -17.029 . . . . . . . . . . . . . . 4632 1 100 DCAHA . 1 1 34 34 ARG CA C . . . 1 1 34 34 ARG HA H . . 35.737 . . . . . . . . . . . . . . 4632 1 101 DNHN . 1 1 34 34 ARG N N . . . 1 1 34 34 ARG H H . . -5.563 . . . . . . . . . . . . . . 4632 1 102 DCAC . 1 1 35 35 ALA CA C . . . 1 1 35 35 ALA C C . . -1.720 . . . . . . . . . . . . . . 4632 1 103 DCAHA . 1 1 35 35 ALA CA C . . . 1 1 35 35 ALA HA H . . 2.777 . . . . . . . . . . . . . . 4632 1 104 DNHN . 1 1 35 35 ALA N N . . . 1 1 35 35 ALA H H . . -7.407 . . . . . . . . . . . . . . 4632 1 105 DCAC . 1 1 36 36 GLY CA C . . . 1 1 36 36 GLY C C . . 0.315 . . . . . . . . . . . . . . 4632 1 106 DCAHA . 1 1 36 36 GLY CA C . . . 1 1 36 36 GLY HA H . . -3.873 . . . . . . . . . . . . . . 4632 1 107 DNHN . 1 1 36 36 GLY N N . . . 1 1 36 36 GLY H H . . -17.188 . . . . . . . . . . . . . . 4632 1 108 DCAC . 1 1 37 37 ARG CA C . . . 1 1 37 37 ARG C C . . 0.216 . . . . . . . . . . . . . . 4632 1 109 DCAHA . 1 1 37 37 ARG CA C . . . 1 1 37 37 ARG HA H . . 9.739 . . . . . . . . . . . . . . 4632 1 110 DNHN . 1 1 37 37 ARG N N . . . 1 1 37 37 ARG H H . . -8.096 . . . . . . . . . . . . . . 4632 1 111 DCAC . 1 1 38 38 MET CA C . . . 1 1 38 38 MET C C . . -2.713 . . . . . . . . . . . . . . 4632 1 112 DCAHA . 1 1 38 38 MET CA C . . . 1 1 38 38 MET HA H . . -1.903 . . . . . . . . . . . . . . 4632 1 113 DNHN . 1 1 38 38 MET N N . . . 1 1 38 38 MET H H . . -2.618 . . . . . . . . . . . . . . 4632 1 114 DCAC . 1 1 39 39 GLY CA C . . . 1 1 39 39 GLY C C . . 1.523 . . . . . . . . . . . . . . 4632 1 115 DNHN . 1 1 39 39 GLY N N . . . 1 1 39 39 GLY H H . . -0.679 . . . . . . . . . . . . . . 4632 1 116 DCAC . 1 1 40 40 GLY CA C . . . 1 1 40 40 GLY C C . . 1.020 . . . . . . . . . . . . . . 4632 1 117 DCAHA . 1 1 40 40 GLY CA C . . . 1 1 40 40 GLY HA H . . -11.133 . . . . . . . . . . . . . . 4632 1 118 DNHN . 1 1 40 40 GLY N N . . . 1 1 40 40 GLY H H . . 1.939 . . . . . . . . . . . . . . 4632 1 119 DCAHA . 1 1 41 41 GLU CA C . . . 1 1 41 41 GLU HA H . . -3.135 . . . . . . . . . . . . . . 4632 1 120 DNHN . 1 1 41 41 GLU N N . . . 1 1 41 41 GLU H H . . 2.178 . . . . . . . . . . . . . . 4632 1 121 DCACB . 1 1 42 42 ALA CA C . . . 1 1 42 42 ALA CB C . . -7.113 . . . . . . . . . . . . . . 4632 1 122 DCAHA . 1 1 42 42 ALA CA C . . . 1 1 42 42 ALA HA H . . -0.241 . . . . . . . . . . . . . . 4632 1 123 DNHN . 1 1 42 42 ALA N N . . . 1 1 42 42 ALA H H . . 7.666 . . . . . . . . . . . . . . 4632 1 124 DCAC . 1 1 43 43 PRO CA C . . . 1 1 43 43 PRO C C . . -0.866 . . . . . . . . . . . . . . 4632 1 125 DCAHA . 1 1 43 43 PRO CA C . . . 1 1 43 43 PRO HA H . . -3.806 . . . . . . . . . . . . . . 4632 1 126 DCAC . 1 1 44 44 GLU CA C . . . 1 1 44 44 GLU C C . . -0.735 . . . . . . . . . . . . . . 4632 1 127 DCAHA . 1 1 44 44 GLU CA C . . . 1 1 44 44 GLU HA H . . 16.437 . . . . . . . . . . . . . . 4632 1 128 DCBHB . 1 1 44 44 GLU CB C . . . 1 1 44 44 GLU HB H . . 3.951 . . . . . . . . . . . . . . 4632 1 129 DCAC . 1 1 45 45 LEU CA C . . . 1 1 45 45 LEU C C . . -0.135 . . . . . . . . . . . . . . 4632 1 130 DCAHA . 1 1 45 45 LEU CA C . . . 1 1 45 45 LEU HA H . . 10.925 . . . . . . . . . . . . . . 4632 1 131 DNHN . 1 1 45 45 LEU N N . . . 1 1 45 45 LEU H H . . 5.282 . . . . . . . . . . . . . . 4632 1 132 DCACB . 1 1 46 46 ALA CA C . . . 1 1 46 46 ALA CB C . . 3.775 . . . . . . . . . . . . . . 4632 1 133 DCAHA . 1 1 46 46 ALA CA C . . . 1 1 46 46 ALA HA H . . 9.868 . . . . . . . . . . . . . . 4632 1 134 DNHN . 1 1 46 46 ALA N N . . . 1 1 46 46 ALA H H . . 3.746 . . . . . . . . . . . . . . 4632 1 135 DCAC . 1 1 47 47 LEU CA C . . . 1 1 47 47 LEU C C . . 0.304 . . . . . . . . . . . . . . 4632 1 136 DCAHA . 1 1 47 47 LEU CA C . . . 1 1 47 47 LEU HA H . . 12.244 . . . . . . . . . . . . . . 4632 1 137 DNHN . 1 1 47 47 LEU N N . . . 1 1 47 47 LEU H H . . 2.626 . . . . . . . . . . . . . . 4632 1 138 DCAHA . 1 1 48 48 ASP CA C . . . 1 1 48 48 ASP HA H . . -15.004 . . . . . . . . . . . . . . 4632 1 139 DCBHB . 1 1 48 48 ASP CB C . . . 1 1 48 48 ASP HB H . . -5.817 . . . . . . . . . . . . . . 4632 1 140 DNHN . 1 1 48 48 ASP N N . . . 1 1 48 48 ASP H H . . -0.540 . . . . . . . . . . . . . . 4632 1 141 DCAC . 1 1 49 49 PRO CA C . . . 1 1 49 49 PRO C C . . -1.591 . . . . . . . . . . . . . . 4632 1 142 DCAHA . 1 1 49 49 PRO CA C . . . 1 1 49 49 PRO HA H . . -2.736 . . . . . . . . . . . . . . 4632 1 143 DCAHA . 1 1 50 50 VAL CA C . . . 1 1 50 50 VAL HA H . . 5.324 . . . . . . . . . . . . . . 4632 1 144 DCBCG . 1 1 50 50 VAL CB C . . . 1 1 50 50 VAL CG1 C . . 6.469 . . . . . . . . . . . . . . 4632 1 145 DNHN . 1 1 50 50 VAL N N . . . 1 1 50 50 VAL H H . . -1.100 . . . . . . . . . . . . . . 4632 1 146 DCAC . 1 1 51 51 PRO CA C . . . 1 1 51 51 PRO C C . . -0.546 . . . . . . . . . . . . . . 4632 1 147 DCAHA . 1 1 51 51 PRO CA C . . . 1 1 51 51 PRO HA H . . -11.627 . . . . . . . . . . . . . . 4632 1 148 DCDHD . 1 1 51 51 PRO CD C . . . 1 1 51 51 PRO HD H . . -10.400 . . . . . . . . . . . . . . 4632 1 149 DCAC . 1 1 52 52 GLN CA C . . . 1 1 52 52 GLN C C . . -0.573 . . . . . . . . . . . . . . 4632 1 150 DCAHA . 1 1 52 52 GLN CA C . . . 1 1 52 52 GLN HA H . . 5.030 . . . . . . . . . . . . . . 4632 1 151 DCGHG . 1 1 52 52 GLN CG C . . . 1 1 52 52 GLN HG H . . 0.584 . . . . . . . . . . . . . . 4632 1 152 DNHN . 1 1 52 52 GLN N N . . . 1 1 52 52 GLN H H . . -3.460 . . . . . . . . . . . . . . 4632 1 153 DCAC . 1 1 53 53 ASP CA C . . . 1 1 53 53 ASP C C . . 0.165 . . . . . . . . . . . . . . 4632 1 154 DCAHA . 1 1 53 53 ASP CA C . . . 1 1 53 53 ASP HA H . . 0.048 . . . . . . . . . . . . . . 4632 1 155 DNHN . 1 1 53 53 ASP N N . . . 1 1 53 53 ASP H H . . 5.614 . . . . . . . . . . . . . . 4632 1 156 DCAC . 1 1 54 54 ALA CA C . . . 1 1 54 54 ALA C C . . -2.522 . . . . . . . . . . . . . . 4632 1 157 DCACB . 1 1 54 54 ALA CA C . . . 1 1 54 54 ALA CB C . . 14.990 . . . . . . . . . . . . . . 4632 1 158 DCAHA . 1 1 54 54 ALA CA C . . . 1 1 54 54 ALA HA H . . -22.960 . . . . . . . . . . . . . . 4632 1 159 DNHN . 1 1 54 54 ALA N N . . . 1 1 54 54 ALA H H . . -3.838 . . . . . . . . . . . . . . 4632 1 160 DCAC . 1 1 55 55 SER CA C . . . 1 1 55 55 SER C C . . -0.591 . . . . . . . . . . . . . . 4632 1 161 DCAHA . 1 1 55 55 SER CA C . . . 1 1 55 55 SER HA H . . 22.346 . . . . . . . . . . . . . . 4632 1 162 DNHN . 1 1 55 55 SER N N . . . 1 1 55 55 SER H H . . 2.772 . . . . . . . . . . . . . . 4632 1 163 DCAC . 1 1 56 56 THR CA C . . . 1 1 56 56 THR C C . . -0.807 . . . . . . . . . . . . . . 4632 1 164 DCAHA . 1 1 56 56 THR CA C . . . 1 1 56 56 THR HA H . . -23.286 . . . . . . . . . . . . . . 4632 1 165 DCBCG . 1 1 56 56 THR CB C . . . 1 1 56 56 THR CG2 C . . 5.126 . . . . . . . . . . . . . . 4632 1 166 DNHN . 1 1 56 56 THR N N . . . 1 1 56 56 THR H H . . -3.437 . . . . . . . . . . . . . . 4632 1 167 DCAC . 1 1 57 57 LYS CA C . . . 1 1 57 57 LYS C C . . 0.185 . . . . . . . . . . . . . . 4632 1 168 DCAHA . 1 1 57 57 LYS CA C . . . 1 1 57 57 LYS HA H . . -2.129 . . . . . . . . . . . . . . 4632 1 169 DCBHB . 1 1 57 57 LYS CB C . . . 1 1 57 57 LYS HB H . . -3.952 . . . . . . . . . . . . . . 4632 1 170 DCAC . 1 1 58 58 LYS CA C . . . 1 1 58 58 LYS C C . . 2.647 . . . . . . . . . . . . . . 4632 1 171 DCAHA . 1 1 58 58 LYS CA C . . . 1 1 58 58 LYS HA H . . -2.064 . . . . . . . . . . . . . . 4632 1 172 DNHN . 1 1 58 58 LYS N N . . . 1 1 58 58 LYS H H . . -6.231 . . . . . . . . . . . . . . 4632 1 173 DCAC . 1 1 59 59 LEU CA C . . . 1 1 59 59 LEU C C . . -0.804 . . . . . . . . . . . . . . 4632 1 174 DCAHA . 1 1 59 59 LEU CA C . . . 1 1 59 59 LEU HA H . . -6.073 . . . . . . . . . . . . . . 4632 1 175 DCGCD . 1 1 59 59 LEU CG C . . . 1 1 59 59 LEU CD1 C . . 8.171 . . . . . . . . . . . . . . 4632 1 176 DNHN . 1 1 59 59 LEU N N . . . 1 1 59 59 LEU H H . . -2.308 . . . . . . . . . . . . . . 4632 1 177 DCAC . 1 1 60 60 SER CA C . . . 1 1 60 60 SER C C . . 3.374 . . . . . . . . . . . . . . 4632 1 178 DCAHA . 1 1 60 60 SER CA C . . . 1 1 60 60 SER HA H . . 38.904 . . . . . . . . . . . . . . 4632 1 179 DNHN . 1 1 60 60 SER N N . . . 1 1 60 60 SER H H . . 1.175 . . . . . . . . . . . . . . 4632 1 180 DCAHA . 1 1 61 61 GLU CA C . . . 1 1 61 61 GLU HA H . . -38.087 . . . . . . . . . . . . . . 4632 1 181 DNHN . 1 1 61 61 GLU N N . . . 1 1 61 61 GLU H H . . -4.621 . . . . . . . . . . . . . . 4632 1 182 DCAC . 1 1 62 62 CYS CA C . . . 1 1 62 62 CYS C C . . 2.468 . . . . . . . . . . . . . . 4632 1 183 DCAHA . 1 1 62 62 CYS CA C . . . 1 1 62 62 CYS HA H . . 35.426 . . . . . . . . . . . . . . 4632 1 184 DNHN . 1 1 62 62 CYS N N . . . 1 1 62 62 CYS H H . . -1.934 . . . . . . . . . . . . . . 4632 1 185 DCAC . 1 1 63 63 LEU CA C . . . 1 1 63 63 LEU C C . . -2.091 . . . . . . . . . . . . . . 4632 1 186 DCAHA . 1 1 63 63 LEU CA C . . . 1 1 63 63 LEU HA H . . -14.896 . . . . . . . . . . . . . . 4632 1 187 DCGCD . 1 1 63 63 LEU CG C . . . 1 1 63 63 LEU CD1 C . . 10.015 . . . . . . . . . . . . . . 4632 1 188 DNHN . 1 1 63 63 LEU N N . . . 1 1 63 63 LEU H H . . -1.145 . . . . . . . . . . . . . . 4632 1 189 DCAC . 1 1 64 64 LYS CA C . . . 1 1 64 64 LYS C C . . 1.751 . . . . . . . . . . . . . . 4632 1 190 DCAHA . 1 1 64 64 LYS CA C . . . 1 1 64 64 LYS HA H . . 17.040 . . . . . . . . . . . . . . 4632 1 191 DCDHD . 1 1 64 64 LYS CD C . . . 1 1 64 64 LYS HD H . . 9.810 . . . . . . . . . . . . . . 4632 1 192 DNHN . 1 1 64 64 LYS N N . . . 1 1 64 64 LYS H H . . -2.808 . . . . . . . . . . . . . . 4632 1 193 DCAHA . 1 1 65 65 ARG CA C . . . 1 1 65 65 ARG HA H . . -20.175 . . . . . . . . . . . . . . 4632 1 194 DCDHD . 1 1 65 65 ARG CD C . . . 1 1 65 65 ARG HD H . . -27.964 . . . . . . . . . . . . . . 4632 1 195 DNHN . 1 1 65 65 ARG N N . . . 1 1 65 65 ARG H H . . -7.583 . . . . . . . . . . . . . . 4632 1 196 DCAC . 1 1 66 66 ILE CA C . . . 1 1 66 66 ILE C C . . 0.351 . . . . . . . . . . . . . . 4632 1 197 DCAHA . 1 1 66 66 ILE CA C . . . 1 1 66 66 ILE HA H . . 19.298 . . . . . . . . . . . . . . 4632 1 198 DCBCG . 1 1 66 66 ILE CB C . . . 1 1 66 66 ILE CG2 C . . 15.453 . . . . . . . . . . . . . . 4632 1 199 DCGCD . 1 1 66 66 ILE CG1 C . . . 1 1 66 66 ILE CD1 C . . -5.232 . . . . . . . . . . . . . . 4632 1 200 DNHN . 1 1 66 66 ILE N N . . . 1 1 66 66 ILE H H . . -0.827 . . . . . . . . . . . . . . 4632 1 201 DCAC . 1 1 67 67 GLY CA C . . . 1 1 67 67 GLY C C . . -0.121 . . . . . . . . . . . . . . 4632 1 202 DCAHA . 1 1 67 67 GLY CA C . . . 1 1 67 67 GLY HA H . . 15.228 . . . . . . . . . . . . . . 4632 1 203 DNHN . 1 1 67 67 GLY N N . . . 1 1 67 67 GLY H H . . -1.534 . . . . . . . . . . . . . . 4632 1 204 DCAHA . 1 1 68 68 ASP CA C . . . 1 1 68 68 ASP HA H . . -8.341 . . . . . . . . . . . . . . 4632 1 205 DNHN . 1 1 68 68 ASP N N . . . 1 1 68 68 ASP H H . . -0.801 . . . . . . . . . . . . . . 4632 1 206 DCAC . 1 1 69 69 GLU CA C . . . 1 1 69 69 GLU C C . . 3.227 . . . . . . . . . . . . . . 4632 1 207 DCAHA . 1 1 69 69 GLU CA C . . . 1 1 69 69 GLU HA H . . -0.663 . . . . . . . . . . . . . . 4632 1 208 DCGHG . 1 1 69 69 GLU CG C . . . 1 1 69 69 GLU HG H . . -16.044 . . . . . . . . . . . . . . 4632 1 209 DCAC . 1 1 70 70 LEU CA C . . . 1 1 70 70 LEU C C . . -0.769 . . . . . . . . . . . . . . 4632 1 210 DCAHA . 1 1 70 70 LEU CA C . . . 1 1 70 70 LEU HA H . . -13.535 . . . . . . . . . . . . . . 4632 1 211 DCGCD . 1 1 70 70 LEU CG C . . . 1 1 70 70 LEU CD1 C . . 13.056 . . . . . . . . . . . . . . 4632 1 212 DCAC . 1 1 71 71 ASP CA C . . . 1 1 71 71 ASP C C . . 0.822 . . . . . . . . . . . . . . 4632 1 213 DCAHA . 1 1 71 71 ASP CA C . . . 1 1 71 71 ASP HA H . . 39.037 . . . . . . . . . . . . . . 4632 1 214 DNHN . 1 1 71 71 ASP N N . . . 1 1 71 71 ASP H H . . -0.541 . . . . . . . . . . . . . . 4632 1 215 DCAC . 1 1 72 72 SER CA C . . . 1 1 72 72 SER C C . . -0.777 . . . . . . . . . . . . . . 4632 1 216 DCAHA . 1 1 72 72 SER CA C . . . 1 1 72 72 SER HA H . . -22.691 . . . . . . . . . . . . . . 4632 1 217 DNHN . 1 1 72 72 SER N N . . . 1 1 72 72 SER H H . . -9.813 . . . . . . . . . . . . . . 4632 1 218 DCAC . 1 1 73 73 ASN CA C . . . 1 1 73 73 ASN C C . . 1.746 . . . . . . . . . . . . . . 4632 1 219 DCAHA . 1 1 73 73 ASN CA C . . . 1 1 73 73 ASN HA H . . 32.878 . . . . . . . . . . . . . . 4632 1 220 DNHN . 1 1 73 73 ASN N N . . . 1 1 73 73 ASN H H . . 4.717 . . . . . . . . . . . . . . 4632 1 221 DCAC . 1 1 74 74 MET CA C . . . 1 1 74 74 MET C C . . 1.493 . . . . . . . . . . . . . . 4632 1 222 DCAHA . 1 1 74 74 MET CA C . . . 1 1 74 74 MET HA H . . -6.100 . . . . . . . . . . . . . . 4632 1 223 DNHN . 1 1 74 74 MET N N . . . 1 1 74 74 MET H H . . 18.864 . . . . . . . . . . . . . . 4632 1 224 DSDCE . 1 1 74 74 MET SD S . . . 1 1 74 74 MET CE C . . 1.715 . . . . . . . . . . . . . . 4632 1 225 DCAHA . 1 1 75 75 GLU CA C . . . 1 1 75 75 GLU HA H . . -1.654 . . . . . . . . . . . . . . 4632 1 226 DCGHG . 1 1 75 75 GLU CG C . . . 1 1 75 75 GLU HG H . . 1.669 . . . . . . . . . . . . . . 4632 1 227 DNHN . 1 1 75 75 GLU N N . . . 1 1 75 75 GLU H H . . 13.960 . . . . . . . . . . . . . . 4632 1 228 DCAC . 1 1 76 76 LEU CA C . . . 1 1 76 76 LEU C C . . -0.764 . . . . . . . . . . . . . . 4632 1 229 DCAHA . 1 1 76 76 LEU CA C . . . 1 1 76 76 LEU HA H . . 6.503 . . . . . . . . . . . . . . 4632 1 230 DCGCD . 1 1 76 76 LEU CG C . . . 1 1 76 76 LEU CD1 C . . -6.180 . . . . . . . . . . . . . . 4632 1 231 DCGCD . 1 1 76 76 LEU CG C . . . 1 1 76 76 LEU CD1 C . . -5.380 . . . . . . . . . . . . . . 4632 1 232 DCGCD . 1 1 76 76 LEU CG C . . . 1 1 76 76 LEU CD2 C . . 0.800 . . . . . . . . . . . . . . 4632 1 233 DCAHA . 1 1 77 77 GLN CA C . . . 1 1 77 77 GLN HA H . . 14.223 . . . . . . . . . . . . . . 4632 1 234 DNHN . 1 1 77 77 GLN N N . . . 1 1 77 77 GLN H H . . 20.437 . . . . . . . . . . . . . . 4632 1 235 DCAC . 1 1 78 78 ARG CA C . . . 1 1 78 78 ARG C C . . 1.737 . . . . . . . . . . . . . . 4632 1 236 DCAHA . 1 1 78 78 ARG CA C . . . 1 1 78 78 ARG HA H . . -37.888 . . . . . . . . . . . . . . 4632 1 237 DCGHG . 1 1 79 79 MET CG C . . . 1 1 79 79 MET HG H . . 30.967 . . . . . . . . . . . . . . 4632 1 238 DNHN . 1 1 79 79 MET N N . . . 1 1 79 79 MET H H . . 15.310 . . . . . . . . . . . . . . 4632 1 239 DSDCE . 1 1 79 79 MET SD S . . . 1 1 79 79 MET CE C . . 12.852 . . . . . . . . . . . . . . 4632 1 240 DCAC . 1 1 80 80 ILE CA C . . . 1 1 80 80 ILE C C . . -1.477 . . . . . . . . . . . . . . 4632 1 241 DCAHA . 1 1 80 80 ILE CA C . . . 1 1 80 80 ILE HA H . . -2.383 . . . . . . . . . . . . . . 4632 1 242 DCGCD . 1 1 80 80 ILE CG1 C . . . 1 1 80 80 ILE CD1 C . . 12.918 . . . . . . . . . . . . . . 4632 1 243 DNHN . 1 1 80 80 ILE N N . . . 1 1 80 80 ILE H H . . 22.127 . . . . . . . . . . . . . . 4632 1 244 DCAC . 1 1 81 81 ALA CA C . . . 1 1 81 81 ALA C C . . 1.413 . . . . . . . . . . . . . . 4632 1 245 DCACB . 1 1 81 81 ALA CA C . . . 1 1 81 81 ALA CB C . . 0.378 . . . . . . . . . . . . . . 4632 1 246 DCAHA . 1 1 81 81 ALA CA C . . . 1 1 81 81 ALA HA H . . -3.587 . . . . . . . . . . . . . . 4632 1 247 DNHN . 1 1 81 81 ALA N N . . . 1 1 81 81 ALA H H . . 19.553 . . . . . . . . . . . . . . 4632 1 248 DCAC . 1 1 82 82 ALA CA C . . . 1 1 82 82 ALA C C . . 2.498 . . . . . . . . . . . . . . 4632 1 249 DCACB . 1 1 82 82 ALA CA C . . . 1 1 82 82 ALA CB C . . -13.644 . . . . . . . . . . . . . . 4632 1 250 DCAHA . 1 1 82 82 ALA CA C . . . 1 1 82 82 ALA HA H . . -22.886 . . . . . . . . . . . . . . 4632 1 251 DNHN . 1 1 82 82 ALA N N . . . 1 1 82 82 ALA H H . . 6.316 . . . . . . . . . . . . . . 4632 1 252 DCAC . 1 1 83 83 VAL CA C . . . 1 1 83 83 VAL C C . . -1.941 . . . . . . . . . . . . . . 4632 1 253 DCAHA . 1 1 83 83 VAL CA C . . . 1 1 83 83 VAL HA H . . -0.282 . . . . . . . . . . . . . . 4632 1 254 DCBCG . 1 1 83 83 VAL CB C . . . 1 1 83 83 VAL CG1 C . . 1.584 . . . . . . . . . . . . . . 4632 1 255 DNHN . 1 1 83 83 VAL N N . . . 1 1 83 83 VAL H H . . 15.235 . . . . . . . . . . . . . . 4632 1 256 DCAC . 1 1 84 84 ASP CA C . . . 1 1 84 84 ASP C C . . 0.973 . . . . . . . . . . . . . . 4632 1 257 DCAHA . 1 1 84 84 ASP CA C . . . 1 1 84 84 ASP HA H . . -17.910 . . . . . . . . . . . . . . 4632 1 258 DNHN . 1 1 84 84 ASP N N . . . 1 1 84 84 ASP H H . . -7.264 . . . . . . . . . . . . . . 4632 1 259 DCAC . 1 1 85 85 THR CA C . . . 1 1 85 85 THR C C . . 1.627 . . . . . . . . . . . . . . 4632 1 260 DCAHA . 1 1 85 85 THR CA C . . . 1 1 85 85 THR HA H . . -18.861 . . . . . . . . . . . . . . 4632 1 261 DCBHB . 1 1 85 85 THR CB C . . . 1 1 85 85 THR HB H . . 6.702 . . . . . . . . . . . . . . 4632 1 262 DNHN . 1 1 85 85 THR N N . . . 1 1 85 85 THR H H . . -7.074 . . . . . . . . . . . . . . 4632 1 263 DCAC . 1 1 86 86 ASP CA C . . . 1 1 86 86 ASP C C . . 0.728 . . . . . . . . . . . . . . 4632 1 264 DCAHA . 1 1 86 86 ASP CA C . . . 1 1 86 86 ASP HA H . . -4.074 . . . . . . . . . . . . . . 4632 1 265 DCAHA . 1 1 87 87 SER CA C . . . 1 1 87 87 SER HA H . . -6.233 . . . . . . . . . . . . . . 4632 1 266 DNHN . 1 1 87 87 SER N N . . . 1 1 87 87 SER H H . . 4.685 . . . . . . . . . . . . . . 4632 1 267 DCAC . 1 1 88 88 PRO CA C . . . 1 1 88 88 PRO C C . . -2.477 . . . . . . . . . . . . . . 4632 1 268 DCAHA . 1 1 88 88 PRO CA C . . . 1 1 88 88 PRO HA H . . 15.032 . . . . . . . . . . . . . . 4632 1 269 DCDHD . 1 1 88 88 PRO CD C . . . 1 1 88 88 PRO HD H . . 12.478 . . . . . . . . . . . . . . 4632 1 270 DCGHG . 1 1 88 88 PRO CG C . . . 1 1 88 88 PRO HG H . . -14.025 . . . . . . . . . . . . . . 4632 1 271 DCAC . 1 1 89 89 ARG CA C . . . 1 1 89 89 ARG C C . . -3.585 . . . . . . . . . . . . . . 4632 1 272 DCAHA . 1 1 89 89 ARG CA C . . . 1 1 89 89 ARG HA H . . 20.742 . . . . . . . . . . . . . . 4632 1 273 DCDHD . 1 1 89 89 ARG CD C . . . 1 1 89 89 ARG HD H . . -13.869 . . . . . . . . . . . . . . 4632 1 274 DNHN . 1 1 89 89 ARG N N . . . 1 1 89 89 ARG H H . . 1.052 . . . . . . . . . . . . . . 4632 1 275 DCAC . 1 1 90 90 GLU CA C . . . 1 1 90 90 GLU C C . . 5.959 . . . . . . . . . . . . . . 4632 1 276 DCAHA . 1 1 90 90 GLU CA C . . . 1 1 90 90 GLU HA H . . -20.508 . . . . . . . . . . . . . . 4632 1 277 DCGHG . 1 1 90 90 GLU CG C . . . 1 1 90 90 GLU HG H . . -9.594 . . . . . . . . . . . . . . 4632 1 278 DNHN . 1 1 90 90 GLU N N . . . 1 1 90 90 GLU H H . . -11.499 . . . . . . . . . . . . . . 4632 1 279 DCAHA . 1 1 91 91 VAL CA C . . . 1 1 91 91 VAL HA H . . -25.936 . . . . . . . . . . . . . . 4632 1 280 DCBCG . 1 1 91 91 VAL CB C . . . 1 1 91 91 VAL CG1 C . . 3.632 . . . . . . . . . . . . . . 4632 1 281 DCBCG . 1 1 91 91 VAL CB C . . . 1 1 91 91 VAL CG1 C . . 14.814 . . . . . . . . . . . . . . 4632 1 282 DCBCG . 1 1 91 91 VAL CB C . . . 1 1 91 91 VAL CG1 C . . 18.446 . . . . . . . . . . . . . . 4632 1 283 DCBCG . 1 1 91 91 VAL CB C . . . 1 1 91 91 VAL CG2 C . . 3.632 . . . . . . . . . . . . . . 4632 1 284 DCBCG . 1 1 91 91 VAL CB C . . . 1 1 91 91 VAL CG2 C . . 3.632 . . . . . . . . . . . . . . 4632 1 285 DNHN . 1 1 91 91 VAL N N . . . 1 1 91 91 VAL H H . . -16.464 . . . . . . . . . . . . . . 4632 1 286 DCAC . 1 1 92 92 PHE CA C . . . 1 1 92 92 PHE C C . . -3.690 . . . . . . . . . . . . . . 4632 1 287 DCAHA . 1 1 92 92 PHE CA C . . . 1 1 92 92 PHE HA H . . 48.744 . . . . . . . . . . . . . . 4632 1 288 DNHN . 1 1 92 92 PHE N N . . . 1 1 92 92 PHE H H . . -5.065 . . . . . . . . . . . . . . 4632 1 289 DCAHA . 1 1 93 93 PHE CA C . . . 1 1 93 93 PHE HA H . . 12.967 . . . . . . . . . . . . . . 4632 1 290 DNHN . 1 1 93 93 PHE N N . . . 1 1 93 93 PHE H H . . 1.455 . . . . . . . . . . . . . . 4632 1 291 DCAHA . 1 1 94 94 ARG CA C . . . 1 1 94 94 ARG HA H . . -29.601 . . . . . . . . . . . . . . 4632 1 292 DNHN . 1 1 94 94 ARG N N . . . 1 1 94 94 ARG H H . . -15.291 . . . . . . . . . . . . . . 4632 1 293 DCAHA . 1 1 95 95 VAL CA C . . . 1 1 95 95 VAL HA H . . -11.668 . . . . . . . . . . . . . . 4632 1 294 DCBCG . 1 1 95 95 VAL CB C . . . 1 1 95 95 VAL CG1 C . . 27.867 . . . . . . . . . . . . . . 4632 1 295 DNHN . 1 1 95 95 VAL N N . . . 1 1 95 95 VAL H H . . -15.750 . . . . . . . . . . . . . . 4632 1 296 DCAC . 1 1 96 96 ALA CA C . . . 1 1 96 96 ALA C C . . -3.331 . . . . . . . . . . . . . . 4632 1 297 DCACB . 1 1 96 96 ALA CA C . . . 1 1 96 96 ALA CB C . . -0.228 . . . . . . . . . . . . . . 4632 1 298 DCAHA . 1 1 96 96 ALA CA C . . . 1 1 96 96 ALA HA H . . 45.335 . . . . . . . . . . . . . . 4632 1 299 DNHN . 1 1 96 96 ALA N N . . . 1 1 96 96 ALA H H . . -0.795 . . . . . . . . . . . . . . 4632 1 300 DCAC . 1 1 97 97 ALA CA C . . . 1 1 97 97 ALA C C . . 0.464 . . . . . . . . . . . . . . 4632 1 301 DCACB . 1 1 97 97 ALA CA C . . . 1 1 97 97 ALA CB C . . 34.978 . . . . . . . . . . . . . . 4632 1 302 DCAHA . 1 1 97 97 ALA CA C . . . 1 1 97 97 ALA HA H . . -15.816 . . . . . . . . . . . . . . 4632 1 303 DNHN . 1 1 97 97 ALA N N . . . 1 1 97 97 ALA H H . . -1.230 . . . . . . . . . . . . . . 4632 1 304 DCAC . 1 1 98 98 ASP CA C . . . 1 1 98 98 ASP C C . . 2.621 . . . . . . . . . . . . . . 4632 1 305 DCAHA . 1 1 98 98 ASP CA C . . . 1 1 98 98 ASP HA H . . -22.283 . . . . . . . . . . . . . . 4632 1 306 DNHN . 1 1 98 98 ASP N N . . . 1 1 98 98 ASP H H . . -16.909 . . . . . . . . . . . . . . 4632 1 307 DCAC . 1 1 99 99 MET CA C . . . 1 1 99 99 MET C C . . -2.531 . . . . . . . . . . . . . . 4632 1 308 DCAHA . 1 1 99 99 MET CA C . . . 1 1 99 99 MET HA H . . 12.768 . . . . . . . . . . . . . . 4632 1 309 DNHN . 1 1 99 99 MET N N . . . 1 1 99 99 MET H H . . -9.459 . . . . . . . . . . . . . . 4632 1 310 DSDCE . 1 1 99 99 MET SD S . . . 1 1 99 99 MET CE C . . -12.009 . . . . . . . . . . . . . . 4632 1 311 DCAC . 1 1 100 100 PHE CA C . . . 1 1 100 100 PHE C C . . -0.877 . . . . . . . . . . . . . . 4632 1 312 DCAHA . 1 1 100 100 PHE CA C . . . 1 1 100 100 PHE HA H . . 33.752 . . . . . . . . . . . . . . 4632 1 313 DNHN . 1 1 100 100 PHE N N . . . 1 1 100 100 PHE H H . . 8.531 . . . . . . . . . . . . . . 4632 1 314 DCAC . 1 1 101 101 SER CA C . . . 1 1 101 101 SER C C . . -2.797 . . . . . . . . . . . . . . 4632 1 315 DCAHA . 1 1 101 101 SER CA C . . . 1 1 101 101 SER HA H . . 24.761 . . . . . . . . . . . . . . 4632 1 316 DNHN . 1 1 101 101 SER N N . . . 1 1 101 101 SER H H . . -11.960 . . . . . . . . . . . . . . 4632 1 317 DCAC . 1 1 102 102 ASP CA C . . . 1 1 102 102 ASP C C . . -0.332 . . . . . . . . . . . . . . 4632 1 318 DCAHA . 1 1 102 102 ASP CA C . . . 1 1 102 102 ASP HA H . . 6.984 . . . . . . . . . . . . . . 4632 1 319 DNHN . 1 1 102 102 ASP N N . . . 1 1 102 102 ASP H H . . -0.519 . . . . . . . . . . . . . . 4632 1 320 DCAHA . 1 1 103 103 GLY CA C . . . 1 1 103 103 GLY HA H . . -18.465 . . . . . . . . . . . . . . 4632 1 321 DNHN . 1 1 103 103 GLY N N . . . 1 1 103 103 GLY H H . . -14.432 . . . . . . . . . . . . . . 4632 1 322 DCAHA . 1 1 104 104 ASN CA C . . . 1 1 104 104 ASN HA H . . -20.111 . . . . . . . . . . . . . . 4632 1 323 DCBHB . 1 1 104 104 ASN CB C . . . 1 1 104 104 ASN HB H . . 3.228 . . . . . . . . . . . . . . 4632 1 324 DNHN . 1 1 104 104 ASN N N . . . 1 1 104 104 ASN H H . . -2.396 . . . . . . . . . . . . . . 4632 1 325 DCAC . 1 1 105 105 PHE CA C . . . 1 1 105 105 PHE C C . . 2.760 . . . . . . . . . . . . . . 4632 1 326 DNHN . 1 1 105 105 PHE N N . . . 1 1 105 105 PHE H H . . -11.040 . . . . . . . . . . . . . . 4632 1 327 DCAHA . 1 1 106 106 ASN CA C . . . 1 1 106 106 ASN HA H . . -8.373 . . . . . . . . . . . . . . 4632 1 328 DNHN . 1 1 106 106 ASN N N . . . 1 1 106 106 ASN H H . . -2.974 . . . . . . . . . . . . . . 4632 1 329 DCAC . 1 1 107 107 TRP CA C . . . 1 1 107 107 TRP C C . . -3.685 . . . . . . . . . . . . . . 4632 1 330 DNHN . 1 1 107 107 TRP N N . . . 1 1 107 107 TRP H H . . -4.509 . . . . . . . . . . . . . . 4632 1 331 DNHN . 1 1 108 108 GLY N N . . . 1 1 108 108 GLY H H . . -18.612 . . . . . . . . . . . . . . 4632 1 332 DCAC . 1 1 109 109 ARG CA C . . . 1 1 109 109 ARG C C . . -1.358 . . . . . . . . . . . . . . 4632 1 333 DCAHA . 1 1 109 109 ARG CA C . . . 1 1 109 109 ARG HA H . . 6.099 . . . . . . . . . . . . . . 4632 1 334 DNHN . 1 1 109 109 ARG N N . . . 1 1 109 109 ARG H H . . -20.273 . . . . . . . . . . . . . . 4632 1 335 DCAHA . 1 1 110 110 VAL CA C . . . 1 1 110 110 VAL HA H . . 43.550 . . . . . . . . . . . . . . 4632 1 336 DNHN . 1 1 110 110 VAL N N . . . 1 1 110 110 VAL H H . . -0.671 . . . . . . . . . . . . . . 4632 1 337 DCAC . 1 1 111 111 VAL CA C . . . 1 1 111 111 VAL C C . . -0.756 . . . . . . . . . . . . . . 4632 1 338 DCAHA . 1 1 111 111 VAL CA C . . . 1 1 111 111 VAL HA H . . -13.863 . . . . . . . . . . . . . . 4632 1 339 DCBCG . 1 1 111 111 VAL CB C . . . 1 1 111 111 VAL CG1 C . . -20.472 . . . . . . . . . . . . . . 4632 1 340 DNHN . 1 1 111 111 VAL N N . . . 1 1 111 111 VAL H H . . -8.041 . . . . . . . . . . . . . . 4632 1 341 DCACB . 1 1 112 112 ALA CA C . . . 1 1 112 112 ALA CB C . . -16.020 . . . . . . . . . . . . . . 4632 1 342 DCAHA . 1 1 112 112 ALA CA C . . . 1 1 112 112 ALA HA H . . -15.331 . . . . . . . . . . . . . . 4632 1 343 DNHN . 1 1 112 112 ALA N N . . . 1 1 112 112 ALA H H . . -18.265 . . . . . . . . . . . . . . 4632 1 344 DCAC . 1 1 113 113 LEU CA C . . . 1 1 113 113 LEU C C . . -2.284 . . . . . . . . . . . . . . 4632 1 345 DCAHA . 1 1 113 113 LEU CA C . . . 1 1 113 113 LEU HA H . . 16.016 . . . . . . . . . . . . . . 4632 1 346 DCGCD . 1 1 113 113 LEU CG C . . . 1 1 113 113 LEU CD1 C . . -2.265 . . . . . . . . . . . . . . 4632 1 347 DCAC . 1 1 114 114 PHE CA C . . . 1 1 114 114 PHE C C . . -4.596 . . . . . . . . . . . . . . 4632 1 348 DCAHA . 1 1 114 114 PHE CA C . . . 1 1 114 114 PHE HA H . . 26.787 . . . . . . . . . . . . . . 4632 1 349 DNHN . 1 1 114 114 PHE N N . . . 1 1 114 114 PHE H H . . -8.592 . . . . . . . . . . . . . . 4632 1 350 DCAC . 1 1 115 115 TYR CA C . . . 1 1 115 115 TYR C C . . 1.242 . . . . . . . . . . . . . . 4632 1 351 DCAHA . 1 1 115 115 TYR CA C . . . 1 1 115 115 TYR HA H . . -27.359 . . . . . . . . . . . . . . 4632 1 352 DNHN . 1 1 115 115 TYR N N . . . 1 1 115 115 TYR H H . . -14.638 . . . . . . . . . . . . . . 4632 1 353 DCAC . 1 1 116 116 PHE CA C . . . 1 1 116 116 PHE C C . . 1.669 . . . . . . . . . . . . . . 4632 1 354 DCAHA . 1 1 116 116 PHE CA C . . . 1 1 116 116 PHE HA H . . -7.572 . . . . . . . . . . . . . . 4632 1 355 DNHN . 1 1 116 116 PHE N N . . . 1 1 116 116 PHE H H . . -17.507 . . . . . . . . . . . . . . 4632 1 356 DCAC . 1 1 117 117 ALA CA C . . . 1 1 117 117 ALA C C . . -2.814 . . . . . . . . . . . . . . 4632 1 357 DCACB . 1 1 117 117 ALA CA C . . . 1 1 117 117 ALA CB C . . -8.931 . . . . . . . . . . . . . . 4632 1 358 DCAHA . 1 1 117 117 ALA CA C . . . 1 1 117 117 ALA HA H . . 34.141 . . . . . . . . . . . . . . 4632 1 359 DNHN . 1 1 117 117 ALA N N . . . 1 1 117 117 ALA H H . . -11.015 . . . . . . . . . . . . . . 4632 1 360 DCAC . 1 1 118 118 SER CA C . . . 1 1 118 118 SER C C . . -4.061 . . . . . . . . . . . . . . 4632 1 361 DNHN . 1 1 118 118 SER N N . . . 1 1 118 118 SER H H . . -7.607 . . . . . . . . . . . . . . 4632 1 362 DCAC . 1 1 119 119 LYS CA C . . . 1 1 119 119 LYS C C . . 4.762 . . . . . . . . . . . . . . 4632 1 363 DCAHA . 1 1 119 119 LYS CA C . . . 1 1 119 119 LYS HA H . . -15.991 . . . . . . . . . . . . . . 4632 1 364 DNHN . 1 1 119 119 LYS N N . . . 1 1 119 119 LYS H H . . -18.943 . . . . . . . . . . . . . . 4632 1 365 DCAHA . 1 1 120 120 LEU CA C . . . 1 1 120 120 LEU HA H . . -1.292 . . . . . . . . . . . . . . 4632 1 366 DCGCD . 1 1 120 120 LEU CG C . . . 1 1 120 120 LEU CD1 C . . -0.390 . . . . . . . . . . . . . . 4632 1 367 DCGCD . 1 1 120 120 LEU CG C . . . 1 1 120 120 LEU CD1 C . . -6.570 . . . . . . . . . . . . . . 4632 1 368 DCGCD . 1 1 120 120 LEU CG C . . . 1 1 120 120 LEU CD2 C . . -0.390 . . . . . . . . . . . . . . 4632 1 369 DCAC . 1 1 121 121 VAL CA C . . . 1 1 121 121 VAL C C . . -3.791 . . . . . . . . . . . . . . 4632 1 370 DCAHA . 1 1 121 121 VAL CA C . . . 1 1 121 121 VAL HA H . . 35.523 . . . . . . . . . . . . . . 4632 1 371 DCBCG . 1 1 121 121 VAL CB C . . . 1 1 121 121 VAL CG1 C . . -4.840 . . . . . . . . . . . . . . 4632 1 372 DCBCG . 1 1 121 121 VAL CB C . . . 1 1 121 121 VAL CG1 C . . -24.894 . . . . . . . . . . . . . . 4632 1 373 DCBCG . 1 1 121 121 VAL CB C . . . 1 1 121 121 VAL CG2 C . . -4.840 . . . . . . . . . . . . . . 4632 1 374 DNHN . 1 1 121 121 VAL N N . . . 1 1 121 121 VAL H H . . -5.814 . . . . . . . . . . . . . . 4632 1 375 DCAC . 1 1 122 122 LEU CA C . . . 1 1 122 122 LEU C C . . -0.935 . . . . . . . . . . . . . . 4632 1 376 DCAHA . 1 1 122 122 LEU CA C . . . 1 1 122 122 LEU HA H . . -21.175 . . . . . . . . . . . . . . 4632 1 377 DCGCD . 1 1 122 122 LEU CG C . . . 1 1 122 122 LEU CD1 C . . 4.316 . . . . . . . . . . . . . . 4632 1 378 DNHN . 1 1 122 122 LEU N N . . . 1 1 122 122 LEU H H . . -10.838 . . . . . . . . . . . . . . 4632 1 379 DCAC . 1 1 123 123 LYS CA C . . . 1 1 123 123 LYS C C . . 1.174 . . . . . . . . . . . . . . 4632 1 380 DCAHA . 1 1 123 123 LYS CA C . . . 1 1 123 123 LYS HA H . . -5.500 . . . . . . . . . . . . . . 4632 1 381 DNHN . 1 1 123 123 LYS N N . . . 1 1 123 123 LYS H H . . -18.325 . . . . . . . . . . . . . . 4632 1 382 DCAC . 1 1 124 124 ALA CA C . . . 1 1 124 124 ALA C C . . -4.556 . . . . . . . . . . . . . . 4632 1 383 DCAHA . 1 1 124 124 ALA CA C . . . 1 1 124 124 ALA HA H . . 12.196 . . . . . . . . . . . . . . 4632 1 384 DNHN . 1 1 124 124 ALA N N . . . 1 1 124 124 ALA H H . . -13.141 . . . . . . . . . . . . . . 4632 1 385 DCAC . 1 1 125 125 LEU CA C . . . 1 1 125 125 LEU C C . . -2.317 . . . . . . . . . . . . . . 4632 1 386 DCAHA . 1 1 125 125 LEU CA C . . . 1 1 125 125 LEU HA H . . 10.075 . . . . . . . . . . . . . . 4632 1 387 DCGCD . 1 1 125 125 LEU CG C . . . 1 1 125 125 LEU CD1 C . . 6.865 . . . . . . . . . . . . . . 4632 1 388 DNHN . 1 1 125 125 LEU N N . . . 1 1 125 125 LEU H H . . -5.664 . . . . . . . . . . . . . . 4632 1 389 DCAC . 1 1 126 126 CYS CA C . . . 1 1 126 126 CYS C C . . 2.732 . . . . . . . . . . . . . . 4632 1 390 DCAHA . 1 1 126 126 CYS CA C . . . 1 1 126 126 CYS HA H . . -12.079 . . . . . . . . . . . . . . 4632 1 391 DCBHB . 1 1 126 126 CYS CB C . . . 1 1 126 126 CYS HB H . . -19.535 . . . . . . . . . . . . . . 4632 1 392 DNHN . 1 1 126 126 CYS N N . . . 1 1 126 126 CYS H H . . -14.644 . . . . . . . . . . . . . . 4632 1 393 DCAC . 1 1 127 127 THR CA C . . . 1 1 127 127 THR C C . . 1.424 . . . . . . . . . . . . . . 4632 1 394 DCAHA . 1 1 127 127 THR CA C . . . 1 1 127 127 THR HA H . . -17.422 . . . . . . . . . . . . . . 4632 1 395 DCBCG . 1 1 127 127 THR CB C . . . 1 1 127 127 THR CG2 C . . 3.157 . . . . . . . . . . . . . . 4632 1 396 DCBHB . 1 1 127 127 THR CB C . . . 1 1 127 127 THR HB H . . 20.363 . . . . . . . . . . . . . . 4632 1 397 DNHN . 1 1 127 127 THR N N . . . 1 1 127 127 THR H H . . -14.637 . . . . . . . . . . . . . . 4632 1 398 DCAC . 1 1 128 128 LYS CA C . . . 1 1 128 128 LYS C C . . 1.547 . . . . . . . . . . . . . . 4632 1 399 DCAHA . 1 1 128 128 LYS CA C . . . 1 1 128 128 LYS HA H . . 12.352 . . . . . . . . . . . . . . 4632 1 400 DNHN . 1 1 128 128 LYS N N . . . 1 1 128 128 LYS H H . . 11.651 . . . . . . . . . . . . . . 4632 1 401 DCAHA . 1 1 129 129 VAL CA C . . . 1 1 129 129 VAL HA H . . -5.424 . . . . . . . . . . . . . . 4632 1 402 DNHN . 1 1 129 129 VAL N N . . . 1 1 129 129 VAL H H . . 7.421 . . . . . . . . . . . . . . 4632 1 403 DCAC . 1 1 130 130 PRO CA C . . . 1 1 130 130 PRO C C . . 0.108 . . . . . . . . . . . . . . 4632 1 404 DCAHA . 1 1 130 130 PRO CA C . . . 1 1 130 130 PRO HA H . . 22.589 . . . . . . . . . . . . . . 4632 1 405 DCAC . 1 1 131 131 GLU CA C . . . 1 1 131 131 GLU C C . . -3.117 . . . . . . . . . . . . . . 4632 1 406 DCAHA . 1 1 131 131 GLU CA C . . . 1 1 131 131 GLU HA H . . 1.558 . . . . . . . . . . . . . . 4632 1 407 DCAC . 1 1 132 132 LEU CA C . . . 1 1 132 132 LEU C C . . 1.819 . . . . . . . . . . . . . . 4632 1 408 DCAHA . 1 1 132 132 LEU CA C . . . 1 1 132 132 LEU HA H . . 2.302 . . . . . . . . . . . . . . 4632 1 409 DCGCD . 1 1 132 132 LEU CG C . . . 1 1 132 132 LEU CD1 C . . 11.152 . . . . . . . . . . . . . . 4632 1 410 DCGCD . 1 1 132 132 LEU CG C . . . 1 1 132 132 LEU CD1 C . . 3.616 . . . . . . . . . . . . . . 4632 1 411 DCGCD . 1 1 132 132 LEU CG C . . . 1 1 132 132 LEU CD2 C . . -7.536 . . . . . . . . . . . . . . 4632 1 412 DNHN . 1 1 132 132 LEU N N . . . 1 1 132 132 LEU H H . . -14.366 . . . . . . . . . . . . . . 4632 1 413 DCAC . 1 1 133 133 ILE CA C . . . 1 1 133 133 ILE C C . . -1.942 . . . . . . . . . . . . . . 4632 1 414 DCAHA . 1 1 133 133 ILE CA C . . . 1 1 133 133 ILE HA H . . 1.303 . . . . . . . . . . . . . . 4632 1 415 DCBCG . 1 1 133 133 ILE CB C . . . 1 1 133 133 ILE CG2 C . . 13.304 . . . . . . . . . . . . . . 4632 1 416 DCGCD . 1 1 133 133 ILE CG1 C . . . 1 1 133 133 ILE CD1 C . . -10.644 . . . . . . . . . . . . . . 4632 1 417 DNHN . 1 1 133 133 ILE N N . . . 1 1 133 133 ILE H H . . -21.626 . . . . . . . . . . . . . . 4632 1 418 DCAC . 1 1 134 134 ARG CA C . . . 1 1 134 134 ARG C C . . -1.268 . . . . . . . . . . . . . . 4632 1 419 DCAHA . 1 1 134 134 ARG CA C . . . 1 1 134 134 ARG HA H . . 21.914 . . . . . . . . . . . . . . 4632 1 420 DCBHB . 1 1 134 134 ARG CB C . . . 1 1 134 134 ARG HB H . . 0.292 . . . . . . . . . . . . . . 4632 1 421 DNHN . 1 1 134 134 ARG N N . . . 1 1 134 134 ARG H H . . -14.907 . . . . . . . . . . . . . . 4632 1 422 DCAC . 1 1 135 135 THR CA C . . . 1 1 135 135 THR C C . . -1.876 . . . . . . . . . . . . . . 4632 1 423 DCAHA . 1 1 135 135 THR CA C . . . 1 1 135 135 THR HA H . . 0.073 . . . . . . . . . . . . . . 4632 1 424 DCBCG . 1 1 135 135 THR CB C . . . 1 1 135 135 THR CG2 C . . -3.184 . . . . . . . . . . . . . . 4632 1 425 DCBHB . 1 1 135 135 THR CB C . . . 1 1 135 135 THR HB H . . -4.968 . . . . . . . . . . . . . . 4632 1 426 DNHN . 1 1 135 135 THR N N . . . 1 1 135 135 THR H H . . -20.372 . . . . . . . . . . . . . . 4632 1 427 DCAHA . 1 1 136 136 ILE CA C . . . 1 1 136 136 ILE HA H . . -5.902 . . . . . . . . . . . . . . 4632 1 428 DCBCG . 1 1 136 136 ILE CB C . . . 1 1 136 136 ILE CG2 C . . 7.342 . . . . . . . . . . . . . . 4632 1 429 DCGCD . 1 1 136 136 ILE CG1 C . . . 1 1 136 136 ILE CD1 C . . -11.333 . . . . . . . . . . . . . . 4632 1 430 DNHN . 1 1 136 136 ILE N N . . . 1 1 136 136 ILE H H . . -16.858 . . . . . . . . . . . . . . 4632 1 431 DCAC . 1 1 137 137 MET CA C . . . 1 1 137 137 MET C C . . -1.322 . . . . . . . . . . . . . . 4632 1 432 DCAHA . 1 1 137 137 MET CA C . . . 1 1 137 137 MET HA H . . 16.866 . . . . . . . . . . . . . . 4632 1 433 DNHN . 1 1 137 137 MET N N . . . 1 1 137 137 MET H H . . -16.654 . . . . . . . . . . . . . . 4632 1 434 DSDCE . 1 1 137 137 MET SD S . . . 1 1 137 137 MET CE C . . -2.617 . . . . . . . . . . . . . . 4632 1 435 DCAC . 1 1 138 138 GLY CA C . . . 1 1 138 138 GLY C C . . -3.406 . . . . . . . . . . . . . . 4632 1 436 DCAHA . 1 1 138 138 GLY CA C . . . 1 1 138 138 GLY HA H . . 17.339 . . . . . . . . . . . . . . 4632 1 437 DNHN . 1 1 138 138 GLY N N . . . 1 1 138 138 GLY H H . . -16.227 . . . . . . . . . . . . . . 4632 1 438 DCAC . 1 1 139 139 TRP CA C . . . 1 1 139 139 TRP C C . . 0.951 . . . . . . . . . . . . . . 4632 1 439 DCAHA . 1 1 139 139 TRP CA C . . . 1 1 139 139 TRP HA H . . 10.159 . . . . . . . . . . . . . . 4632 1 440 DNHN . 1 1 139 139 TRP N N . . . 1 1 139 139 TRP H H . . -20.022 . . . . . . . . . . . . . . 4632 1 441 DCAC . 1 1 140 140 THR CA C . . . 1 1 140 140 THR C C . . -1.916 . . . . . . . . . . . . . . 4632 1 442 DNHN . 1 1 140 140 THR N N . . . 1 1 140 140 THR H H . . -19.819 . . . . . . . . . . . . . . 4632 1 443 DCAC . 1 1 141 141 LEU CA C . . . 1 1 141 141 LEU C C . . -0.201 . . . . . . . . . . . . . . 4632 1 444 DCAHA . 1 1 141 141 LEU CA C . . . 1 1 141 141 LEU HA H . . 20.881 . . . . . . . . . . . . . . 4632 1 445 DCGCD . 1 1 141 141 LEU CG C . . . 1 1 141 141 LEU CD1 C . . 23.931 . . . . . . . . . . . . . . 4632 1 446 DCAC . 1 1 142 142 ASP CA C . . . 1 1 142 142 ASP C C . . -2.066 . . . . . . . . . . . . . . 4632 1 447 DCAHA . 1 1 142 142 ASP CA C . . . 1 1 142 142 ASP HA H . . -1.154 . . . . . . . . . . . . . . 4632 1 448 DNHN . 1 1 142 142 ASP N N . . . 1 1 142 142 ASP H H . . -17.193 . . . . . . . . . . . . . . 4632 1 449 DCAC . 1 1 143 143 PHE CA C . . . 1 1 143 143 PHE C C . . 1.817 . . . . . . . . . . . . . . 4632 1 450 DCAHA . 1 1 143 143 PHE CA C . . . 1 1 143 143 PHE HA H . . 6.492 . . . . . . . . . . . . . . 4632 1 451 DCAC . 1 1 144 144 LEU CA C . . . 1 1 144 144 LEU C C . . -0.247 . . . . . . . . . . . . . . 4632 1 452 DCAHA . 1 1 144 144 LEU CA C . . . 1 1 144 144 LEU HA H . . -12.029 . . . . . . . . . . . . . . 4632 1 453 DCGCD . 1 1 144 144 LEU CG C . . . 1 1 144 144 LEU CD1 C . . 5.791 . . . . . . . . . . . . . . 4632 1 454 DCGCD . 1 1 144 144 LEU CG C . . . 1 1 144 144 LEU CD1 C . . -1.163 . . . . . . . . . . . . . . 4632 1 455 DCGCD . 1 1 144 144 LEU CG C . . . 1 1 144 144 LEU CD2 C . . -6.954 . . . . . . . . . . . . . . 4632 1 456 DNHN . 1 1 144 144 LEU N N . . . 1 1 144 144 LEU H H . . -21.035 . . . . . . . . . . . . . . 4632 1 457 DCAC . 1 1 145 145 ARG CA C . . . 1 1 145 145 ARG C C . . -1.633 . . . . . . . . . . . . . . 4632 1 458 DCAHA . 1 1 145 145 ARG CA C . . . 1 1 145 145 ARG HA H . . 13.695 . . . . . . . . . . . . . . 4632 1 459 DCDHD . 1 1 145 145 ARG CD C . . . 1 1 145 145 ARG HD H . . -2.620 . . . . . . . . . . . . . . 4632 1 460 DNHN . 1 1 145 145 ARG N N . . . 1 1 145 145 ARG H H . . -18.752 . . . . . . . . . . . . . . 4632 1 461 DCAC . 1 1 146 146 GLU CA C . . . 1 1 146 146 GLU C C . . 0.117 . . . . . . . . . . . . . . 4632 1 462 DCAHA . 1 1 146 146 GLU CA C . . . 1 1 146 146 GLU HA H . . -5.098 . . . . . . . . . . . . . . 4632 1 463 DNHN . 1 1 146 146 GLU N N . . . 1 1 146 146 GLU H H . . -17.761 . . . . . . . . . . . . . . 4632 1 464 DCAC . 1 1 147 147 ARG CA C . . . 1 1 147 147 ARG C C . . 2.416 . . . . . . . . . . . . . . 4632 1 465 DCAHA . 1 1 147 147 ARG CA C . . . 1 1 147 147 ARG HA H . . -17.831 . . . . . . . . . . . . . . 4632 1 466 DNHN . 1 1 147 147 ARG N N . . . 1 1 147 147 ARG H H . . -19.582 . . . . . . . . . . . . . . 4632 1 467 DCAC . 1 1 148 148 LEU CA C . . . 1 1 148 148 LEU C C . . 0.005 . . . . . . . . . . . . . . 4632 1 468 DCAHA . 1 1 148 148 LEU CA C . . . 1 1 148 148 LEU HA H . . -19.101 . . . . . . . . . . . . . . 4632 1 469 DCGCD . 1 1 148 148 LEU CG C . . . 1 1 148 148 LEU CD1 C . . -7.580 . . . . . . . . . . . . . . 4632 1 470 DCGCD . 1 1 148 148 LEU CG C . . . 1 1 148 148 LEU CD1 C . . -23.576 . . . . . . . . . . . . . . 4632 1 471 DCGCD . 1 1 148 148 LEU CG C . . . 1 1 148 148 LEU CD2 C . . -7.580 . . . . . . . . . . . . . . 4632 1 472 DNHN . 1 1 148 148 LEU N N . . . 1 1 148 148 LEU H H . . -14.526 . . . . . . . . . . . . . . 4632 1 473 DCAC . 1 1 149 149 LEU CA C . . . 1 1 149 149 LEU C C . . -2.729 . . . . . . . . . . . . . . 4632 1 474 DCAHA . 1 1 149 149 LEU CA C . . . 1 1 149 149 LEU HA H . . 13.712 . . . . . . . . . . . . . . 4632 1 475 DCGCD . 1 1 149 149 LEU CG C . . . 1 1 149 149 LEU CD1 C . . 0.100 . . . . . . . . . . . . . . 4632 1 476 DNHN . 1 1 149 149 LEU N N . . . 1 1 149 149 LEU H H . . 12.495 . . . . . . . . . . . . . . 4632 1 477 DCAC . 1 1 150 150 GLY CA C . . . 1 1 150 150 GLY C C . . 4.169 . . . . . . . . . . . . . . 4632 1 478 DCAHA . 1 1 150 150 GLY CA C . . . 1 1 150 150 GLY HA H . . 4.099 . . . . . . . . . . . . . . 4632 1 479 DNHN . 1 1 150 150 GLY N N . . . 1 1 150 150 GLY H H . . 14.205 . . . . . . . . . . . . . . 4632 1 480 DCAC . 1 1 151 151 TRP CA C . . . 1 1 151 151 TRP C C . . 1.435 . . . . . . . . . . . . . . 4632 1 481 DCAHA . 1 1 151 151 TRP CA C . . . 1 1 151 151 TRP HA H . . -4.763 . . . . . . . . . . . . . . 4632 1 482 DNHN . 1 1 151 151 TRP N N . . . 1 1 151 151 TRP H H . . 4.275 . . . . . . . . . . . . . . 4632 1 483 DCAC . 1 1 152 152 ILE CA C . . . 1 1 152 152 ILE C C . . -0.821 . . . . . . . . . . . . . . 4632 1 484 DCAHA . 1 1 152 152 ILE CA C . . . 1 1 152 152 ILE HA H . . 29.760 . . . . . . . . . . . . . . 4632 1 485 DCBCG . 1 1 152 152 ILE CB C . . . 1 1 152 152 ILE CG2 C . . 6.076 . . . . . . . . . . . . . . 4632 1 486 DCGCD . 1 1 152 152 ILE CG1 C . . . 1 1 152 152 ILE CD1 C . . -22.619 . . . . . . . . . . . . . . 4632 1 487 DNHN . 1 1 152 152 ILE N N . . . 1 1 152 152 ILE H H . . 14.817 . . . . . . . . . . . . . . 4632 1 488 DCAC . 1 1 153 153 GLN CA C . . . 1 1 153 153 GLN C C . . -1.002 . . . . . . . . . . . . . . 4632 1 489 DCAHA . 1 1 153 153 GLN CA C . . . 1 1 153 153 GLN HA H . . -2.199 . . . . . . . . . . . . . . 4632 1 490 DCGHG . 1 1 153 153 GLN CG C . . . 1 1 153 153 GLN HG H . . -36.689 . . . . . . . . . . . . . . 4632 1 491 DNHN . 1 1 153 153 GLN N N . . . 1 1 153 153 GLN H H . . 18.386 . . . . . . . . . . . . . . 4632 1 492 DCAC . 1 1 154 154 ASP CA C . . . 1 1 154 154 ASP C C . . 4.148 . . . . . . . . . . . . . . 4632 1 493 DCAHA . 1 1 154 154 ASP CA C . . . 1 1 154 154 ASP HA H . . -18.037 . . . . . . . . . . . . . . 4632 1 494 DNHN . 1 1 154 154 ASP N N . . . 1 1 154 154 ASP H H . . 11.148 . . . . . . . . . . . . . . 4632 1 495 DCAC . 1 1 155 155 GLN CA C . . . 1 1 155 155 GLN C C . . 1.347 . . . . . . . . . . . . . . 4632 1 496 DCAHA . 1 1 155 155 GLN CA C . . . 1 1 155 155 GLN HA H . . -12.941 . . . . . . . . . . . . . . 4632 1 497 DNHN . 1 1 155 155 GLN N N . . . 1 1 155 155 GLN H H . . 4.155 . . . . . . . . . . . . . . 4632 1 498 DCAC . 1 1 156 156 GLY CA C . . . 1 1 156 156 GLY C C . . -2.956 . . . . . . . . . . . . . . 4632 1 499 DCAHA . 1 1 156 156 GLY CA C . . . 1 1 156 156 GLY HA H . . 41.769 . . . . . . . . . . . . . . 4632 1 500 DNHN . 1 1 156 156 GLY N N . . . 1 1 156 156 GLY H H . . 15.930 . . . . . . . . . . . . . . 4632 1 501 DCAC . 1 1 157 157 GLY CA C . . . 1 1 157 157 GLY C C . . 0.564 . . . . . . . . . . . . . . 4632 1 502 DNHN . 1 1 157 157 GLY N N . . . 1 1 157 157 GLY H H . . 1.604 . . . . . . . . . . . . . . 4632 1 503 DCAC . 1 1 158 158 TRP CA C . . . 1 1 158 158 TRP C C . . 2.309 . . . . . . . . . . . . . . 4632 1 504 DCAHA . 1 1 158 158 TRP CA C . . . 1 1 158 158 TRP HA H . . 0.996 . . . . . . . . . . . . . . 4632 1 505 DNHN . 1 1 158 158 TRP N N . . . 1 1 158 158 TRP H H . . 0.139 . . . . . . . . . . . . . . 4632 1 506 DCAC . 1 1 159 159 ASP CA C . . . 1 1 159 159 ASP C C . . -1.674 . . . . . . . . . . . . . . 4632 1 507 DCAHA . 1 1 159 159 ASP CA C . . . 1 1 159 159 ASP HA H . . -23.585 . . . . . . . . . . . . . . 4632 1 508 DNHN . 1 1 159 159 ASP N N . . . 1 1 159 159 ASP H H . . 1.611 . . . . . . . . . . . . . . 4632 1 509 DCAC . 1 1 160 160 GLY CA C . . . 1 1 160 160 GLY C C . . -2.939 . . . . . . . . . . . . . . 4632 1 510 DNHN . 1 1 160 160 GLY N N . . . 1 1 160 160 GLY H H . . 16.228 . . . . . . . . . . . . . . 4632 1 511 DCAC . 1 1 161 161 LEU CA C . . . 1 1 161 161 LEU C C . . 4.948 . . . . . . . . . . . . . . 4632 1 512 DCAHA . 1 1 161 161 LEU CA C . . . 1 1 161 161 LEU HA H . . -3.486 . . . . . . . . . . . . . . 4632 1 513 DNHN . 1 1 161 161 LEU N N . . . 1 1 161 161 LEU H H . . 4.738 . . . . . . . . . . . . . . 4632 1 514 DCAHA . 1 1 162 162 LEU CA C . . . 1 1 162 162 LEU HA H . . -19.717 . . . . . . . . . . . . . . 4632 1 515 DNHN . 1 1 162 162 LEU N N . . . 1 1 162 162 LEU H H . . 3.120 . . . . . . . . . . . . . . 4632 1 516 DCAC . 1 1 163 163 SER CA C . . . 1 1 163 163 SER C C . . -0.066 . . . . . . . . . . . . . . 4632 1 517 DCAHA . 1 1 163 163 SER CA C . . . 1 1 163 163 SER HA H . . 37.537 . . . . . . . . . . . . . . 4632 1 518 DCBHB . 1 1 163 163 SER CB C . . . 1 1 163 163 SER HB H . . 11.998 . . . . . . . . . . . . . . 4632 1 519 DNHN . 1 1 163 163 SER N N . . . 1 1 163 163 SER H H . . 15.959 . . . . . . . . . . . . . . 4632 1 520 DCAC . 1 1 164 164 TYR CA C . . . 1 1 164 164 TYR C C . . -0.918 . . . . . . . . . . . . . . 4632 1 521 DNHN . 1 1 164 164 TYR N N . . . 1 1 164 164 TYR H H . . 9.876 . . . . . . . . . . . . . . 4632 1 522 DCAC . 1 1 165 165 PHE CA C . . . 1 1 165 165 PHE C C . . 6.803 . . . . . . . . . . . . . . 4632 1 523 DNHN . 1 1 165 165 PHE N N . . . 1 1 165 165 PHE H H . . 6.280 . . . . . . . . . . . . . . 4632 1 524 DNHN . 1 1 166 166 GLY N N . . . 1 1 166 166 GLY H H . . -1.476 . . . . . . . . . . . . . . 4632 1 525 DCDHD . 1 1 168 168 PRO CD C . . . 1 1 168 168 PRO HD H . . 1.864 . . . . . . . . . . . . . . 4632 1 526 DCGHG . 1 1 168 168 PRO CG C . . . 1 1 168 168 PRO HG H . . 2.608 . . . . . . . . . . . . . . 4632 1 527 DCAC . 1 1 171 171 GLN CA C . . . 1 1 171 171 GLN C C . . -0.735 . . . . . . . . . . . . . . 4632 1 528 DCAHA . 1 1 171 171 GLN CA C . . . 1 1 171 171 GLN HA H . . -21.815 . . . . . . . . . . . . . . 4632 1 529 DCAC . 1 1 172 172 THR CA C . . . 1 1 172 172 THR C C . . 1.332 . . . . . . . . . . . . . . 4632 1 530 DCBCG . 1 1 172 172 THR CB C . . . 1 1 172 172 THR CG2 C . . 5.724 . . . . . . . . . . . . . . 4632 1 531 DCBHB . 1 1 172 172 THR CB C . . . 1 1 172 172 THR HB H . . 3.751 . . . . . . . . . . . . . . 4632 1 532 DNHN . 1 1 172 172 THR N N . . . 1 1 172 172 THR H H . . 10.590 . . . . . . . . . . . . . . 4632 1 533 DCAC . 1 1 173 173 VAL CA C . . . 1 1 173 173 VAL C C . . -2.606 . . . . . . . . . . . . . . 4632 1 534 DCAHA . 1 1 173 173 VAL CA C . . . 1 1 173 173 VAL HA H . . -7.201 . . . . . . . . . . . . . . 4632 1 535 DCBCG . 1 1 173 173 VAL CB C . . . 1 1 173 173 VAL CG1 C . . 9.345 . . . . . . . . . . . . . . 4632 1 536 DCBCG . 1 1 173 173 VAL CB C . . . 1 1 173 173 VAL CG1 C . . -0.794 . . . . . . . . . . . . . . 4632 1 537 DCBCG . 1 1 173 173 VAL CB C . . . 1 1 173 173 VAL CG2 C . . -10.139 . . . . . . . . . . . . . . 4632 1 538 DNHN . 1 1 173 173 VAL N N . . . 1 1 173 173 VAL H H . . 13.134 . . . . . . . . . . . . . . 4632 1 539 DCAC . 1 1 174 174 THR CA C . . . 1 1 174 174 THR C C . . -1.375 . . . . . . . . . . . . . . 4632 1 540 DNHN . 1 1 174 174 THR N N . . . 1 1 174 174 THR H H . . 23.609 . . . . . . . . . . . . . . 4632 1 541 DCAC . 1 1 175 175 ILE CA C . . . 1 1 175 175 ILE C C . . -0.379 . . . . . . . . . . . . . . 4632 1 542 DCAHA . 1 1 175 175 ILE CA C . . . 1 1 175 175 ILE HA H . . -20.178 . . . . . . . . . . . . . . 4632 1 543 DCBCG . 1 1 175 175 ILE CB C . . . 1 1 175 175 ILE CG2 C . . -5.489 . . . . . . . . . . . . . . 4632 1 544 DCGCD . 1 1 175 175 ILE CG1 C . . . 1 1 175 175 ILE CD1 C . . 7.693 . . . . . . . . . . . . . . 4632 1 545 DNHN . 1 1 175 175 ILE N N . . . 1 1 175 175 ILE H H . . 15.578 . . . . . . . . . . . . . . 4632 1 546 DCAC . 1 1 176 176 PHE CA C . . . 1 1 176 176 PHE C C . . 0.308 . . . . . . . . . . . . . . 4632 1 547 DCAHA . 1 1 176 176 PHE CA C . . . 1 1 176 176 PHE HA H . . -28.483 . . . . . . . . . . . . . . 4632 1 548 DNHN . 1 1 176 176 PHE N N . . . 1 1 176 176 PHE H H . . 10.500 . . . . . . . . . . . . . . 4632 1 549 DCAC . 1 1 177 177 VAL CA C . . . 1 1 177 177 VAL C C . . -3.459 . . . . . . . . . . . . . . 4632 1 550 DCBCG . 1 1 177 177 VAL CB C . . . 1 1 177 177 VAL CG1 C . . 4.984 . . . . . . . . . . . . . . 4632 1 551 DCBCG . 1 1 177 177 VAL CB C . . . 1 1 177 177 VAL CG1 C . . -6.476 . . . . . . . . . . . . . . 4632 1 552 DCBCG . 1 1 177 177 VAL CB C . . . 1 1 177 177 VAL CG2 C . . -11.460 . . . . . . . . . . . . . . 4632 1 553 DCAC . 1 1 178 178 ALA CA C . . . 1 1 178 178 ALA C C . . -0.950 . . . . . . . . . . . . . . 4632 1 554 DCAHA . 1 1 178 178 ALA CA C . . . 1 1 178 178 ALA HA H . . 2.054 . . . . . . . . . . . . . . 4632 1 555 DCAC . 1 1 179 179 GLY CA C . . . 1 1 179 179 GLY C C . . 3.650 . . . . . . . . . . . . . . 4632 1 556 DNHN . 1 1 179 179 GLY N N . . . 1 1 179 179 GLY H H . . 15.942 . . . . . . . . . . . . . . 4632 1 557 DCAC . 1 1 180 180 VAL CA C . . . 1 1 180 180 VAL C C . . 2.283 . . . . . . . . . . . . . . 4632 1 558 DCAHA . 1 1 180 180 VAL CA C . . . 1 1 180 180 VAL HA H . . -19.731 . . . . . . . . . . . . . . 4632 1 559 DCBCG . 1 1 180 180 VAL CB C . . . 1 1 180 180 VAL CG1 C . . 5.175 . . . . . . . . . . . . . . 4632 1 560 DCAC . 1 1 181 181 LEU CA C . . . 1 1 181 181 LEU C C . . 1.012 . . . . . . . . . . . . . . 4632 1 561 DCAHA . 1 1 181 181 LEU CA C . . . 1 1 181 181 LEU HA H . . 23.022 . . . . . . . . . . . . . . 4632 1 562 DCGCD . 1 1 181 181 LEU CG C . . . 1 1 181 181 LEU CD1 C . . 10.760 . . . . . . . . . . . . . . 4632 1 563 DCGCD . 1 1 181 181 LEU CG C . . . 1 1 181 181 LEU CD1 C . . 25.250 . . . . . . . . . . . . . . 4632 1 564 DCGCD . 1 1 181 181 LEU CG C . . . 1 1 181 181 LEU CD2 C . . 10.760 . . . . . . . . . . . . . . 4632 1 565 DNHN . 1 1 181 181 LEU N N . . . 1 1 181 181 LEU H H . . 19.591 . . . . . . . . . . . . . . 4632 1 566 DCAC . 1 1 182 182 THR CA C . . . 1 1 182 182 THR C C . . 0.219 . . . . . . . . . . . . . . 4632 1 567 DNHN . 1 1 182 182 THR N N . . . 1 1 182 182 THR H H . . 18.809 . . . . . . . . . . . . . . 4632 1 568 DCAHA . 1 1 183 183 ALA CA C . . . 1 1 183 183 ALA HA H . . -3.606 . . . . . . . . . . . . . . 4632 1 569 DNHN . 1 1 183 183 ALA N N . . . 1 1 183 183 ALA H H . . 10.659 . . . . . . . . . . . . . . 4632 1 570 DCAC . 1 1 184 184 SER CA C . . . 1 1 184 184 SER C C . . -1.552 . . . . . . . . . . . . . . 4632 1 571 DCAHA . 1 1 184 184 SER CA C . . . 1 1 184 184 SER HA H . . -7.772 . . . . . . . . . . . . . . 4632 1 572 DNHN . 1 1 184 184 SER N N . . . 1 1 184 184 SER H H . . 10.393 . . . . . . . . . . . . . . 4632 1 573 DCAC . 1 1 185 185 LEU CA C . . . 1 1 185 185 LEU C C . . 0.729 . . . . . . . . . . . . . . 4632 1 574 DCAHA . 1 1 185 185 LEU CA C . . . 1 1 185 185 LEU HA H . . 30.250 . . . . . . . . . . . . . . 4632 1 575 DCGCD . 1 1 185 185 LEU CG C . . . 1 1 185 185 LEU CD1 C . . 16.440 . . . . . . . . . . . . . . 4632 1 576 DCGCD . 1 1 185 185 LEU CG C . . . 1 1 185 185 LEU CD1 C . . 39.494 . . . . . . . . . . . . . . 4632 1 577 DCGCD . 1 1 185 185 LEU CG C . . . 1 1 185 185 LEU CD2 C . . 16.440 . . . . . . . . . . . . . . 4632 1 578 DNHN . 1 1 185 185 LEU N N . . . 1 1 185 185 LEU H H . . 19.752 . . . . . . . . . . . . . . 4632 1 579 DCAC . 1 1 186 186 THR CA C . . . 1 1 186 186 THR C C . . 2.185 . . . . . . . . . . . . . . 4632 1 580 DCAHA . 1 1 186 186 THR CA C . . . 1 1 186 186 THR HA H . . -24.643 . . . . . . . . . . . . . . 4632 1 581 DCBCG . 1 1 186 186 THR CB C . . . 1 1 186 186 THR CG2 C . . -1.520 . . . . . . . . . . . . . . 4632 1 582 DCBHB . 1 1 186 186 THR CB C . . . 1 1 186 186 THR HB H . . -9.418 . . . . . . . . . . . . . . 4632 1 583 DNHN . 1 1 186 186 THR N N . . . 1 1 186 186 THR H H . . 3.092 . . . . . . . . . . . . . . 4632 1 584 DCAC . 1 1 187 187 ILE CA C . . . 1 1 187 187 ILE C C . . 0.451 . . . . . . . . . . . . . . 4632 1 585 DCAHA . 1 1 187 187 ILE CA C . . . 1 1 187 187 ILE HA H . . -7.803 . . . . . . . . . . . . . . 4632 1 586 DCBCG . 1 1 187 187 ILE CB C . . . 1 1 187 187 ILE CG2 C . . 7.526 . . . . . . . . . . . . . . 4632 1 587 DCBHB . 1 1 187 187 ILE CB C . . . 1 1 187 187 ILE HB H . . 9.273 . . . . . . . . . . . . . . 4632 1 588 DCGCD . 1 1 187 187 ILE CG1 C . . . 1 1 187 187 ILE CD1 C . . -8.733 . . . . . . . . . . . . . . 4632 1 589 DCGHG . 1 1 187 187 ILE CG1 C . . . 1 1 187 187 ILE HG1 H . . 25.065 . . . . . . . . . . . . . . 4632 1 590 DNHN . 1 1 187 187 ILE N N . . . 1 1 187 187 ILE H H . . 0.723 . . . . . . . . . . . . . . 4632 1 591 DCAC . 1 1 188 188 TRP CA C . . . 1 1 188 188 TRP C C . . -3.135 . . . . . . . . . . . . . . 4632 1 592 DCAHA . 1 1 188 188 TRP CA C . . . 1 1 188 188 TRP HA H . . 8.963 . . . . . . . . . . . . . . 4632 1 593 DNHN . 1 1 188 188 TRP N N . . . 1 1 188 188 TRP H H . . 10.244 . . . . . . . . . . . . . . 4632 1 594 DCAHA . 1 1 189 189 LYS CA C . . . 1 1 189 189 LYS HA H . . -2.548 . . . . . . . . . . . . . . 4632 1 595 DCBHB . 1 1 189 189 LYS CB C . . . 1 1 189 189 LYS HB H . . -4.409 . . . . . . . . . . . . . . 4632 1 596 DNHN . 1 1 189 189 LYS N N . . . 1 1 189 189 LYS H H . . 2.603 . . . . . . . . . . . . . . 4632 1 597 DCAHA . 1 1 190 190 LYS CA C . . . 1 1 190 190 LYS HA H . . 1.885 . . . . . . . . . . . . . . 4632 1 598 DCBHB . 1 1 190 190 LYS CB C . . . 1 1 190 190 LYS HB H . . 4.436 . . . . . . . . . . . . . . 4632 1 599 DNHN . 1 1 190 190 LYS N N . . . 1 1 190 190 LYS H H . . 0.849 . . . . . . . . . . . . . . 4632 1 600 DCAC . 1 1 191 191 MET CA C . . . 1 1 191 191 MET C C . . -0.540 . . . . . . . . . . . . . . 4632 1 601 DCAHA . 1 1 191 191 MET CA C . . . 1 1 191 191 MET HA H . . -0.022 . . . . . . . . . . . . . . 4632 1 602 DNHN . 1 1 191 191 MET N N . . . 1 1 191 191 MET H H . . 0.141 . . . . . . . . . . . . . . 4632 1 603 DCAHA . 1 1 192 192 GLY CA C . . . 1 1 192 192 GLY HA H . . 4.346 . . . . . . . . . . . . . . 4632 1 604 DNHN . 1 1 192 192 GLY N N . . . 1 1 192 192 GLY H H . . 1.786 . . . . . . . . . . . . . . 4632 1 stop_ save_