data_c16596_2kqe ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c16596_2kqe _Entry.Title ; First PBZ domain of human APLF protein ; _Entry.Version_type new _Entry.Submission_date 2009-11-04 _Entry.Accession_date 2009-11-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.0.9.13 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 David Neuhaus . . . c16596_2kqe 2 Sebastian Eustermann . . . c16596_2kqe 3 Christoph Brockmann . . . c16596_2kqe 4 Ji-Chun Yang . . . c16596_2kqe stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . c16596_2kqe stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'zinc finger' . c16596_2kqe stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c16596_2kqe stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 562 c16596_2kqe '13C chemical shifts' 288 c16596_2kqe '15N chemical shifts' 87 c16596_2kqe stop_ loop_ _Release.Release_number _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 4 2010-06-03 2009-11-04 update BMRB 'edit assembly name' c16596_2kqe 3 2010-04-15 2009-11-04 update BMRB 'add related PDB ID' c16596_2kqe 2 2010-03-01 2009-11-04 update BMRB 'completed entry citation' c16596_2kqe 1 2010-01-28 2009-11-04 original author 'original release' c16596_2kqe stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KQB 'structure entry' c16596_2kqe PDB 2KQC 'structure entry' c16596_2kqe PDB 2KQD 'structure entry' c16596_2kqe PDB 2KQE 'structure entry' c16596_2kqe stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c16596_2kqe _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20098424 _Citation.Full_citation . _Citation.Title 'Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural and molecular biology' _Citation.Journal_volume 17 _Citation.Journal_issue 2 _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 241 _Citation.Page_last 243 _Citation.Year 2010 _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 Sebastian Eustermann . . . c16596_2kqe 1 2 Christoph Brockmann . . . c16596_2kqe 1 3 'Pawan Vinod' Mehrotra . . . c16596_2kqe 1 4 Ji-Chun Yang . . . c16596_2kqe 1 5 David Loakes . . . c16596_2kqe 1 6 Stephen West . C. . c16596_2kqe 1 7 Ivan Ahel . . . c16596_2kqe 1 8 David Neuhaus . . . c16596_2kqe 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c16596_2kqe _Assembly.ID 1 _Assembly.Name APLF _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 APLF_363-451 1 $APLF_363-451 A . yes native no no . . . c16596_2kqe 1 2 'ZINC ION, 1' 2 $ZN B . no native no no . . . c16596_2kqe 1 3 'ZINC ION, 2' 2 $ZN C . no native no no . . . c16596_2kqe 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 APLF_363-451 1 CYS 17 17 SG . 2 'ZINC ION, 1' 2 . . . ZN . . 379 CYS SG . . . . ZN c16596_2kqe 1 2 coordination single . 1 APLF_363-451 1 CYS 23 23 SG . 2 'ZINC ION, 1' 2 . . . ZN . . 385 CYS SG . . . . ZN c16596_2kqe 1 3 coordination single . 1 APLF_363-451 1 HIS 30 30 NE2 . 2 'ZINC ION, 1' 2 . . . ZN . . 392 HIS NE2 . . . . ZN c16596_2kqe 1 4 coordination single . 1 APLF_363-451 1 HIS 36 36 NE2 . 2 'ZINC ION, 1' 2 . . . ZN . . 398 HIS NE2 . . . . ZN c16596_2kqe 1 5 coordination single . 1 APLF_363-451 1 CYS 59 59 SG . 3 'ZINC ION, 2' 2 . . . ZN . . 421 CYS SG . . . . ZN c16596_2kqe 1 6 coordination single . 1 APLF_363-451 1 CYS 65 65 SG . 3 'ZINC ION, 2' 2 . . . ZN . . 427 CYS SG . . . . ZN c16596_2kqe 1 7 coordination single . 1 APLF_363-451 1 HIS 72 72 NE2 . 3 'ZINC ION, 2' 2 . . . ZN . . 434 HIS NE2 . . . . ZN c16596_2kqe 1 8 coordination single . 1 APLF_363-451 1 HIS 78 78 NE2 . 3 'ZINC ION, 2' 2 . . . ZN . . 440 HIS NE2 . . . . ZN c16596_2kqe 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_APLF_363-451 _Entity.Sf_category entity _Entity.Sf_framecode APLF_363-451 _Entity.Entry_ID c16596_2kqe _Entity.ID 1 _Entity.BMRB_code . _Entity.Name APLF_363-451 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSGSEGNKVKRTSCMYG ANCYRKNPVHFQHFSHPGDS DYGGVQIVGQDETDDRPECP YGPSCYRKNPQHKIEYRHNT LPVRNVLDE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5952.459 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2013-03-27 loop_ _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 no BMRB 16744 . APLF_Tandem_ZF . . . . . 91.01 91 100.00 100.00 1.50e-53 . . . . c16596_2kqe 1 no PDB 2KQB . 'First Pbz Domain Of Human Aplf Protein' . . . . . 100.00 89 100.00 100.00 4.07e-59 . . . . c16596_2kqe 1 no PDB 2KQC . 'Second Pbz Domain Of Human Aplf Protein' . . . . . 100.00 89 100.00 100.00 4.07e-59 . . . . c16596_2kqe 1 no PDB 2KQD . 'First Pbz Domain Of Human Aplf Protein In Complex With Ribofuranosyladenosine' . . . . . 100.00 89 100.00 100.00 4.07e-59 . . . . c16596_2kqe 1 no PDB 2KQE . 'Second Pbz Domain Of Human Aplf Protein In Complex With Ribofuranosyladenosine' . . . . . 100.00 89 100.00 100.00 4.07e-59 . . . . c16596_2kqe 1 no PDB 2KUO . 'Structure And Identification Of Adp-Ribose Recognition Motif And Role In The Dna Damage Response' . . . . . 91.01 91 100.00 100.00 1.50e-53 . . . . c16596_2kqe 1 no DBJ BAF83530 . 'unnamed protein product [Homo sapiens]' . . . . . 94.38 510 100.00 100.00 2.47e-54 . . . . c16596_2kqe 1 no GB AAH41144 . 'Aprataxin and PNKP like factor [Homo sapiens]' . . . . . 94.38 511 100.00 100.00 2.82e-54 . . . . c16596_2kqe 1 no GB AAY24113 . 'unknown [Homo sapiens]' . . . . . 94.38 243 100.00 100.00 1.49e-56 . . . . c16596_2kqe 1 no GB ADZ15607 . 'aprataxin and PNKP like factor [synthetic construct]' . . . . . 94.38 511 100.00 100.00 2.82e-54 . . . . c16596_2kqe 1 no GB EAW99871 . 'chromosome 2 open reading frame 13, isoform CRA_a [Homo sapiens]' . . . . . 94.38 511 100.00 100.00 2.82e-54 . . . . c16596_2kqe 1 no GB EAW99872 . 'chromosome 2 open reading frame 13, isoform CRA_b [Homo sapiens]' . . . . . 86.52 459 100.00 100.00 1.45e-49 . . . . c16596_2kqe 1 no REF NP_775816 . 'aprataxin and PNK-like factor [Homo sapiens]' . . . . . 94.38 511 100.00 100.00 2.82e-54 . . . . c16596_2kqe 1 no REF XP_002799328 . 'PREDICTED: aprataxin and PNK-like factor-like [Macaca mulatta]' . . . . . 94.38 476 97.62 98.81 1.12e-52 . . . . c16596_2kqe 1 no REF XP_003830966 . 'PREDICTED: aprataxin and PNK-like factor [Pan paniscus]' . . . . . 94.38 511 100.00 100.00 2.13e-54 . . . . c16596_2kqe 1 no REF XP_004029419 . 'PREDICTED: aprataxin and PNK-like factor-like, partial [Gorilla gorilla gorilla]' . . . . . 94.38 303 97.62 97.62 1.23e-54 . . . . c16596_2kqe 1 no REF XP_515525 . 'PREDICTED: aprataxin and PNK-like factor-like, partial [Pan troglodytes]' . . . . . 94.38 298 100.00 100.00 6.88e-57 . . . . c16596_2kqe 1 no SP Q8IW19 . 'RecName: Full=Aprataxin and PNK-like factor; AltName: Full=Apurinic-apyrimidinic endonuclease APLF; AltName: Full=PNK and APTX-' . . . . . 94.38 511 100.00 100.00 2.82e-54 . . . . c16596_2kqe 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 1 363 GLY . c16596_2kqe 1 2 364 PRO . c16596_2kqe 1 3 365 LEU . c16596_2kqe 1 4 366 GLY . c16596_2kqe 1 5 367 SER . c16596_2kqe 1 6 368 GLY . c16596_2kqe 1 7 369 SER . c16596_2kqe 1 8 370 GLU . c16596_2kqe 1 9 371 GLY . c16596_2kqe 1 10 372 ASN . c16596_2kqe 1 11 373 LYS . c16596_2kqe 1 12 374 VAL . c16596_2kqe 1 13 375 LYS . c16596_2kqe 1 14 376 ARG . c16596_2kqe 1 15 377 THR . c16596_2kqe 1 16 378 SER . c16596_2kqe 1 17 379 CYS . c16596_2kqe 1 18 380 MET . c16596_2kqe 1 19 381 TYR . c16596_2kqe 1 20 382 GLY . c16596_2kqe 1 21 383 ALA . c16596_2kqe 1 22 384 ASN . c16596_2kqe 1 23 385 CYS . c16596_2kqe 1 24 386 TYR . c16596_2kqe 1 25 387 ARG . c16596_2kqe 1 26 388 LYS . c16596_2kqe 1 27 389 ASN . c16596_2kqe 1 28 390 PRO . c16596_2kqe 1 29 391 VAL . c16596_2kqe 1 30 392 HIS . c16596_2kqe 1 31 393 PHE . c16596_2kqe 1 32 394 GLN . c16596_2kqe 1 33 395 HIS . c16596_2kqe 1 34 396 PHE . c16596_2kqe 1 35 397 SER . c16596_2kqe 1 36 398 HIS . c16596_2kqe 1 37 399 PRO . c16596_2kqe 1 38 400 GLY . c16596_2kqe 1 39 401 ASP . c16596_2kqe 1 40 402 SER . c16596_2kqe 1 41 403 ASP . c16596_2kqe 1 42 404 TYR . c16596_2kqe 1 43 405 GLY . c16596_2kqe 1 44 406 GLY . c16596_2kqe 1 45 407 VAL . c16596_2kqe 1 46 408 GLN . c16596_2kqe 1 47 409 ILE . c16596_2kqe 1 48 410 VAL . c16596_2kqe 1 49 411 GLY . c16596_2kqe 1 50 412 GLN . c16596_2kqe 1 51 413 ASP . c16596_2kqe 1 52 414 GLU . c16596_2kqe 1 53 415 THR . c16596_2kqe 1 54 416 ASP . c16596_2kqe 1 55 417 ASP . c16596_2kqe 1 56 418 ARG . c16596_2kqe 1 57 419 PRO . c16596_2kqe 1 58 420 GLU . c16596_2kqe 1 59 421 CYS . c16596_2kqe 1 60 422 PRO . c16596_2kqe 1 61 423 TYR . c16596_2kqe 1 62 424 GLY . c16596_2kqe 1 63 425 PRO . c16596_2kqe 1 64 426 SER . c16596_2kqe 1 65 427 CYS . c16596_2kqe 1 66 428 TYR . c16596_2kqe 1 67 429 ARG . c16596_2kqe 1 68 430 LYS . c16596_2kqe 1 69 431 ASN . c16596_2kqe 1 70 432 PRO . c16596_2kqe 1 71 433 GLN . c16596_2kqe 1 72 434 HIS . c16596_2kqe 1 73 435 LYS . c16596_2kqe 1 74 436 ILE . c16596_2kqe 1 75 437 GLU . c16596_2kqe 1 76 438 TYR . c16596_2kqe 1 77 439 ARG . c16596_2kqe 1 78 440 HIS . c16596_2kqe 1 79 441 ASN . c16596_2kqe 1 80 442 THR . c16596_2kqe 1 81 443 LEU . c16596_2kqe 1 82 444 PRO . c16596_2kqe 1 83 445 VAL . c16596_2kqe 1 84 446 ARG . c16596_2kqe 1 85 447 ASN . c16596_2kqe 1 86 448 VAL . c16596_2kqe 1 87 449 LEU . c16596_2kqe 1 88 450 ASP . c16596_2kqe 1 89 451 GLU . c16596_2kqe 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 . GLY 1 1 c16596_2kqe 1 . PRO 2 2 c16596_2kqe 1 . LEU 3 3 c16596_2kqe 1 . GLY 4 4 c16596_2kqe 1 . SER 5 5 c16596_2kqe 1 . GLY 6 6 c16596_2kqe 1 . SER 7 7 c16596_2kqe 1 . GLU 8 8 c16596_2kqe 1 . GLY 9 9 c16596_2kqe 1 . ASN 10 10 c16596_2kqe 1 . LYS 11 11 c16596_2kqe 1 . VAL 12 12 c16596_2kqe 1 . LYS 13 13 c16596_2kqe 1 . ARG 14 14 c16596_2kqe 1 . THR 15 15 c16596_2kqe 1 . SER 16 16 c16596_2kqe 1 . CYS 17 17 c16596_2kqe 1 . MET 18 18 c16596_2kqe 1 . TYR 19 19 c16596_2kqe 1 . GLY 20 20 c16596_2kqe 1 . ALA 21 21 c16596_2kqe 1 . ASN 22 22 c16596_2kqe 1 . CYS 23 23 c16596_2kqe 1 . TYR 24 24 c16596_2kqe 1 . ARG 25 25 c16596_2kqe 1 . LYS 26 26 c16596_2kqe 1 . ASN 27 27 c16596_2kqe 1 . PRO 28 28 c16596_2kqe 1 . VAL 29 29 c16596_2kqe 1 . HIS 30 30 c16596_2kqe 1 . PHE 31 31 c16596_2kqe 1 . GLN 32 32 c16596_2kqe 1 . HIS 33 33 c16596_2kqe 1 . PHE 34 34 c16596_2kqe 1 . SER 35 35 c16596_2kqe 1 . HIS 36 36 c16596_2kqe 1 . PRO 37 37 c16596_2kqe 1 . GLY 38 38 c16596_2kqe 1 . ASP 39 39 c16596_2kqe 1 . SER 40 40 c16596_2kqe 1 . ASP 41 41 c16596_2kqe 1 . TYR 42 42 c16596_2kqe 1 . GLY 43 43 c16596_2kqe 1 . GLY 44 44 c16596_2kqe 1 . VAL 45 45 c16596_2kqe 1 . GLN 46 46 c16596_2kqe 1 . ILE 47 47 c16596_2kqe 1 . VAL 48 48 c16596_2kqe 1 . GLY 49 49 c16596_2kqe 1 . GLN 50 50 c16596_2kqe 1 . ASP 51 51 c16596_2kqe 1 . GLU 52 52 c16596_2kqe 1 . THR 53 53 c16596_2kqe 1 . ASP 54 54 c16596_2kqe 1 . ASP 55 55 c16596_2kqe 1 . ARG 56 56 c16596_2kqe 1 . PRO 57 57 c16596_2kqe 1 . GLU 58 58 c16596_2kqe 1 . CYS 59 59 c16596_2kqe 1 . PRO 60 60 c16596_2kqe 1 . TYR 61 61 c16596_2kqe 1 . GLY 62 62 c16596_2kqe 1 . PRO 63 63 c16596_2kqe 1 . SER 64 64 c16596_2kqe 1 . CYS 65 65 c16596_2kqe 1 . TYR 66 66 c16596_2kqe 1 . ARG 67 67 c16596_2kqe 1 . LYS 68 68 c16596_2kqe 1 . ASN 69 69 c16596_2kqe 1 . PRO 70 70 c16596_2kqe 1 . GLN 71 71 c16596_2kqe 1 . HIS 72 72 c16596_2kqe 1 . LYS 73 73 c16596_2kqe 1 . ILE 74 74 c16596_2kqe 1 . GLU 75 75 c16596_2kqe 1 . TYR 76 76 c16596_2kqe 1 . ARG 77 77 c16596_2kqe 1 . HIS 78 78 c16596_2kqe 1 . ASN 79 79 c16596_2kqe 1 . THR 80 80 c16596_2kqe 1 . LEU 81 81 c16596_2kqe 1 . PRO 82 82 c16596_2kqe 1 . VAL 83 83 c16596_2kqe 1 . ARG 84 84 c16596_2kqe 1 . ASN 85 85 c16596_2kqe 1 . VAL 86 86 c16596_2kqe 1 . LEU 87 87 c16596_2kqe 1 . ASP 88 88 c16596_2kqe 1 . GLU 89 89 c16596_2kqe 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID c16596_2kqe _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . ZN . c16596_2kqe 2 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 c16596_2kqe _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 $APLF_363-451 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . c16596_2kqe 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 c16596_2kqe _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 $APLF_363-451 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-6P-1 . . . . . . c16596_2kqe 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID c16596_2kqe _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Zn+2] SMILES ACDLabs 10.04 c16596_2kqe ZN InChI=1/Zn/q+2 InChI InChI 1.02b c16596_2kqe ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b c16596_2kqe ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 c16596_2kqe ZN [Zn++] SMILES CACTVS 3.341 c16596_2kqe ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c16596_2kqe ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 c16596_2kqe ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 c16596_2kqe ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c16596_2kqe ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . c16596_2kqe ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c16596_2kqe _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 'potassium pyrophosphate' 'natural abundance' . . . . . . 20 . . mM . . . . c16596_2kqe 1 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . c16596_2kqe 1 3 'zinc sulphate' 'natural abundance' . . . . . . 100 . . uM . . . . c16596_2kqe 1 4 DTT [U-2H] . . . . . . 2 . . mM . . . . c16596_2kqe 1 5 APLF_363-451 '[U-98% 13C; U-98% 15N]' . . 1 $APLF_363-451 . . 0.5-0.6 . . mM . . . . c16596_2kqe 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID c16596_2kqe _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 'potassium pyrophosphate' 'natural abundance' . . . . . . 20 . . mM . . . . c16596_2kqe 2 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . c16596_2kqe 2 3 'zinc sulphate' 'natural abundance' . . . . . . 100 . . uM . . . . c16596_2kqe 2 4 DTT [U-2H] . . . . . . 2 . . mM . . . . c16596_2kqe 2 5 APLF_363-451 '[U-98% 13C; U-98% 15N]' . . 1 $APLF_363-451 . . 0.5-0.6 . . mM . . . . c16596_2kqe 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c16596_2kqe _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 temperature 300 . K c16596_2kqe 1 pH 6.0 . pH c16596_2kqe 1 pressure 1 . atm c16596_2kqe 1 'ionic strength' 0.4 . M c16596_2kqe 1 stop_ save_ ############################ # Computer software used # ############################ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID c16596_2kqe _Software.ID 1 _Software.Name XPLOR-NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . c16596_2kqe 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c16596_2kqe 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID c16596_2kqe _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . c16596_2kqe 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c16596_2kqe 2 stop_ save_ save_CCPN_analysis _Software.Sf_category software _Software.Sf_framecode CCPN_analysis _Software.Entry_ID c16596_2kqe _Software.ID 3 _Software.Name CCPN_analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . c16596_2kqe 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c16596_2kqe 3 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 c16596_2kqe _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID c16596_2kqe _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID c16596_2kqe _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c16596_2kqe _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 Avance . 800 . . . c16596_2kqe 1 2 spectrometer_2 Bruker DMX . 600 . . . c16596_2kqe 1 3 spectrometer_3 Bruker DRX . 500 . . . c16596_2kqe 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 c16596_2kqe _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.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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 2 '2D 1H-15N HMQC long-range' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 3 '2D 1H-13C HSQC full-width' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 4 '2D 1H-13C HSQC aliphatic' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 5 '2D 1H-13C HSQC aromatic' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 6 '2D 1H-1H NOESY' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 7 '2D 1H-1H NOESY filtered' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 8 '3D CBCANH' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 9 '3D CBCA(CO)NH' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 10 '3D HBHANH' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 11 '3D HBHA(CO)NH' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 12 '3D H(C)CH-TOCSY' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 13 '3D (H)CCH-TOCSY' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 14 '3D 1H-15N NOESY' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 15 '3D 1H-13C NOESY' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 16 '3D HNHB' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 17 '3D HACAHB-COSY' no . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . c16596_2kqe 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID c16596_2kqe _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . c16596_2kqe 1 C 13 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . c16596_2kqe 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . c16596_2kqe 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID c16596_2kqe _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . c16596_2kqe 1 3 '2D 1H-13C HSQC full-width' . . . c16596_2kqe 1 4 '2D 1H-13C HSQC aliphatic' . . . c16596_2kqe 1 5 '2D 1H-13C HSQC aromatic' . . . c16596_2kqe 1 8 '3D CBCANH' . . . c16596_2kqe 1 9 '3D CBCA(CO)NH' . . . c16596_2kqe 1 10 '3D HBHANH' . . . c16596_2kqe 1 11 '3D HBHA(CO)NH' . . . c16596_2kqe 1 12 '3D H(C)CH-TOCSY' . . . c16596_2kqe 1 13 '3D (H)CCH-TOCSY' . . . c16596_2kqe 1 14 '3D 1H-15N NOESY' . . . c16596_2kqe 1 15 '3D 1H-13C NOESY' . . . c16596_2kqe 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.519 0.020 . 1 . . . 364 PRO HA . c16596_2kqe 1 2 . 1 1 2 2 PRO HB2 H 1 2.362 0.020 . 2 . . . 364 PRO HB2 . c16596_2kqe 1 3 . 1 1 2 2 PRO HB3 H 1 1.992 0.020 . 2 . . . 364 PRO HB3 . c16596_2kqe 1 4 . 1 1 2 2 PRO HD2 H 1 3.627 0.020 . 1 . . . 364 PRO HD2 . c16596_2kqe 1 5 . 1 1 2 2 PRO HD3 H 1 3.627 0.020 . 1 . . . 364 PRO HD3 . c16596_2kqe 1 6 . 1 1 2 2 PRO HG2 H 1 2.055 0.020 . 1 . . . 364 PRO HG2 . c16596_2kqe 1 7 . 1 1 2 2 PRO HG3 H 1 2.055 0.020 . 1 . . . 364 PRO HG3 . c16596_2kqe 1 8 . 1 1 2 2 PRO CA C 13 63.238 0.100 . 1 . . . 364 PRO CA . c16596_2kqe 1 9 . 1 1 2 2 PRO CB C 13 32.338 0.100 . 1 . . . 364 PRO CB . c16596_2kqe 1 10 . 1 1 2 2 PRO CD C 13 49.775 0.100 . 1 . . . 364 PRO CD . c16596_2kqe 1 11 . 1 1 2 2 PRO CG C 13 27.009 0.100 . 1 . . . 364 PRO CG . c16596_2kqe 1 12 . 1 1 3 3 LEU H H 1 8.557 0.020 . 1 . . . 365 LEU H . c16596_2kqe 1 13 . 1 1 3 3 LEU HA H 1 4.406 0.020 . 1 . . . 365 LEU HA . c16596_2kqe 1 14 . 1 1 3 3 LEU HB2 H 1 1.645 0.020 . 1 . . . 365 LEU HB2 . c16596_2kqe 1 15 . 1 1 3 3 LEU HB3 H 1 1.645 0.020 . 1 . . . 365 LEU HB3 . c16596_2kqe 1 16 . 1 1 3 3 LEU HD11 H 1 0.972 0.020 . 2 . . . 365 LEU HD11 . c16596_2kqe 1 17 . 1 1 3 3 LEU HD12 H 1 0.972 0.020 . 2 . . . 365 LEU HD12 . c16596_2kqe 1 18 . 1 1 3 3 LEU HD13 H 1 0.972 0.020 . 2 . . . 365 LEU HD13 . c16596_2kqe 1 19 . 1 1 3 3 LEU HD21 H 1 0.932 0.020 . 2 . . . 365 LEU HD21 . c16596_2kqe 1 20 . 1 1 3 3 LEU HD22 H 1 0.932 0.020 . 2 . . . 365 LEU HD22 . c16596_2kqe 1 21 . 1 1 3 3 LEU HD23 H 1 0.932 0.020 . 2 . . . 365 LEU HD23 . c16596_2kqe 1 22 . 1 1 3 3 LEU HG H 1 1.715 0.020 . 1 . . . 365 LEU HG . c16596_2kqe 1 23 . 1 1 3 3 LEU CA C 13 55.436 0.100 . 1 . . . 365 LEU CA . c16596_2kqe 1 24 . 1 1 3 3 LEU CB C 13 42.304 0.100 . 1 . . . 365 LEU CB . c16596_2kqe 1 25 . 1 1 3 3 LEU CD1 C 13 24.887 0.100 . 2 . . . 365 LEU CD1 . c16596_2kqe 1 26 . 1 1 3 3 LEU CD2 C 13 23.544 0.100 . 2 . . . 365 LEU CD2 . c16596_2kqe 1 27 . 1 1 3 3 LEU CG C 13 27.067 0.100 . 1 . . . 365 LEU CG . c16596_2kqe 1 28 . 1 1 3 3 LEU N N 15 122.297 0.100 . 1 . . . 365 LEU N . c16596_2kqe 1 29 . 1 1 4 4 GLY H H 1 8.443 0.020 . 1 . . . 366 GLY H . c16596_2kqe 1 30 . 1 1 4 4 GLY HA2 H 1 4.040 0.020 . 2 . . . 366 GLY HA2 . c16596_2kqe 1 31 . 1 1 4 4 GLY HA3 H 1 4.056 0.020 . 2 . . . 366 GLY HA3 . c16596_2kqe 1 32 . 1 1 4 4 GLY CA C 13 45.361 0.100 . 1 . . . 366 GLY CA . c16596_2kqe 1 33 . 1 1 4 4 GLY N N 15 110.040 0.100 . 1 . . . 366 GLY N . c16596_2kqe 1 34 . 1 1 5 5 SER H H 1 8.374 0.020 . 1 . . . 367 SER H . c16596_2kqe 1 35 . 1 1 5 5 SER HA H 1 4.521 0.020 . 1 . . . 367 SER HA . c16596_2kqe 1 36 . 1 1 5 5 SER HB2 H 1 3.964 0.020 . 2 . . . 367 SER HB2 . c16596_2kqe 1 37 . 1 1 5 5 SER HB3 H 1 3.913 0.020 . 2 . . . 367 SER HB3 . c16596_2kqe 1 38 . 1 1 5 5 SER CA C 13 58.573 0.100 . 1 . . . 367 SER CA . c16596_2kqe 1 39 . 1 1 5 5 SER CB C 13 64.058 0.100 . 1 . . . 367 SER CB . c16596_2kqe 1 40 . 1 1 5 5 SER N N 15 116.007 0.100 . 1 . . . 367 SER N . c16596_2kqe 1 41 . 1 1 6 6 GLY H H 1 8.639 0.020 . 1 . . . 368 GLY H . c16596_2kqe 1 42 . 1 1 6 6 GLY HA2 H 1 4.095 0.020 . 2 . . . 368 GLY HA2 . c16596_2kqe 1 43 . 1 1 6 6 GLY HA3 H 1 4.067 0.020 . 2 . . . 368 GLY HA3 . c16596_2kqe 1 44 . 1 1 6 6 GLY CA C 13 45.494 0.100 . 1 . . . 368 GLY CA . c16596_2kqe 1 45 . 1 1 6 6 GLY N N 15 111.362 0.100 . 1 . . . 368 GLY N . c16596_2kqe 1 46 . 1 1 7 7 SER H H 1 8.313 0.020 . 1 . . . 369 SER H . c16596_2kqe 1 47 . 1 1 7 7 SER HA H 1 4.516 0.020 . 1 . . . 369 SER HA . c16596_2kqe 1 48 . 1 1 7 7 SER HB2 H 1 3.959 0.020 . 2 . . . 369 SER HB2 . c16596_2kqe 1 49 . 1 1 7 7 SER HB3 H 1 3.911 0.020 . 2 . . . 369 SER HB3 . c16596_2kqe 1 50 . 1 1 7 7 SER CA C 13 58.583 0.100 . 1 . . . 369 SER CA . c16596_2kqe 1 51 . 1 1 7 7 SER CB C 13 63.973 0.100 . 1 . . . 369 SER CB . c16596_2kqe 1 52 . 1 1 7 7 SER N N 15 115.885 0.100 . 1 . . . 369 SER N . c16596_2kqe 1 53 . 1 1 8 8 GLU H H 1 8.630 0.020 . 1 . . . 370 GLU H . c16596_2kqe 1 54 . 1 1 8 8 GLU HA H 1 4.330 0.020 . 1 . . . 370 GLU HA . c16596_2kqe 1 55 . 1 1 8 8 GLU HB2 H 1 2.133 0.020 . 2 . . . 370 GLU HB2 . c16596_2kqe 1 56 . 1 1 8 8 GLU HB3 H 1 2.013 0.020 . 2 . . . 370 GLU HB3 . c16596_2kqe 1 57 . 1 1 8 8 GLU HG2 H 1 2.327 0.020 . 1 . . . 370 GLU HG2 . c16596_2kqe 1 58 . 1 1 8 8 GLU HG3 H 1 2.327 0.020 . 1 . . . 370 GLU HG3 . c16596_2kqe 1 59 . 1 1 8 8 GLU CA C 13 57.138 0.100 . 1 . . . 370 GLU CA . c16596_2kqe 1 60 . 1 1 8 8 GLU CB C 13 29.984 0.100 . 1 . . . 370 GLU CB . c16596_2kqe 1 61 . 1 1 8 8 GLU CG C 13 36.293 0.100 . 1 . . . 370 GLU CG . c16596_2kqe 1 62 . 1 1 8 8 GLU N N 15 122.682 0.100 . 1 . . . 370 GLU N . c16596_2kqe 1 63 . 1 1 9 9 GLY H H 1 8.394 0.020 . 1 . . . 371 GLY H . c16596_2kqe 1 64 . 1 1 9 9 GLY HA2 H 1 3.976 0.020 . 1 . . . 371 GLY HA2 . c16596_2kqe 1 65 . 1 1 9 9 GLY HA3 H 1 3.976 0.020 . 1 . . . 371 GLY HA3 . c16596_2kqe 1 66 . 1 1 9 9 GLY CA C 13 45.469 0.100 . 1 . . . 371 GLY CA . c16596_2kqe 1 67 . 1 1 9 9 GLY N N 15 109.245 0.100 . 1 . . . 371 GLY N . c16596_2kqe 1 68 . 1 1 10 10 ASN H H 1 8.283 0.020 . 1 . . . 372 ASN H . c16596_2kqe 1 69 . 1 1 10 10 ASN HA H 1 4.732 0.020 . 1 . . . 372 ASN HA . c16596_2kqe 1 70 . 1 1 10 10 ASN HB2 H 1 2.854 0.020 . 2 . . . 372 ASN HB2 . c16596_2kqe 1 71 . 1 1 10 10 ASN HB3 H 1 2.782 0.020 . 2 . . . 372 ASN HB3 . c16596_2kqe 1 72 . 1 1 10 10 ASN HD21 H 1 7.605 0.020 . 1 . . . 372 ASN HD21 . c16596_2kqe 1 73 . 1 1 10 10 ASN HD22 H 1 6.946 0.020 . 1 . . . 372 ASN HD22 . c16596_2kqe 1 74 . 1 1 10 10 ASN CA C 13 53.263 0.100 . 1 . . . 372 ASN CA . c16596_2kqe 1 75 . 1 1 10 10 ASN CB C 13 38.961 0.100 . 1 . . . 372 ASN CB . c16596_2kqe 1 76 . 1 1 10 10 ASN N N 15 118.662 0.100 . 1 . . . 372 ASN N . c16596_2kqe 1 77 . 1 1 10 10 ASN ND2 N 15 112.888 0.100 . 1 . . . 372 ASN ND2 . c16596_2kqe 1 78 . 1 1 11 11 LYS H H 1 8.264 0.020 . 1 . . . 373 LYS H . c16596_2kqe 1 79 . 1 1 11 11 LYS HA H 1 4.360 0.020 . 1 . . . 373 LYS HA . c16596_2kqe 1 80 . 1 1 11 11 LYS HB2 H 1 1.853 0.020 . 2 . . . 373 LYS HB2 . c16596_2kqe 1 81 . 1 1 11 11 LYS HB3 H 1 1.784 0.020 . 2 . . . 373 LYS HB3 . c16596_2kqe 1 82 . 1 1 11 11 LYS HD2 H 1 1.704 0.020 . 1 . . . 373 LYS HD2 . c16596_2kqe 1 83 . 1 1 11 11 LYS HD3 H 1 1.704 0.020 . 1 . . . 373 LYS HD3 . c16596_2kqe 1 84 . 1 1 11 11 LYS HE2 H 1 3.023 0.020 . 1 . . . 373 LYS HE2 . c16596_2kqe 1 85 . 1 1 11 11 LYS HE3 H 1 3.023 0.020 . 1 . . . 373 LYS HE3 . c16596_2kqe 1 86 . 1 1 11 11 LYS HG2 H 1 1.484 0.020 . 2 . . . 373 LYS HG2 . c16596_2kqe 1 87 . 1 1 11 11 LYS HG3 H 1 1.418 0.020 . 2 . . . 373 LYS HG3 . c16596_2kqe 1 88 . 1 1 11 11 LYS CA C 13 56.413 0.100 . 1 . . . 373 LYS CA . c16596_2kqe 1 89 . 1 1 11 11 LYS CB C 13 33.054 0.100 . 1 . . . 373 LYS CB . c16596_2kqe 1 90 . 1 1 11 11 LYS CD C 13 29.140 0.100 . 1 . . . 373 LYS CD . c16596_2kqe 1 91 . 1 1 11 11 LYS CE C 13 42.223 0.100 . 1 . . . 373 LYS CE . c16596_2kqe 1 92 . 1 1 11 11 LYS CG C 13 24.773 0.100 . 1 . . . 373 LYS CG . c16596_2kqe 1 93 . 1 1 11 11 LYS N N 15 121.729 0.100 . 1 . . . 373 LYS N . c16596_2kqe 1 94 . 1 1 12 12 VAL H H 1 8.114 0.020 . 1 . . . 374 VAL H . c16596_2kqe 1 95 . 1 1 12 12 VAL HA H 1 4.086 0.020 . 1 . . . 374 VAL HA . c16596_2kqe 1 96 . 1 1 12 12 VAL HB H 1 2.025 0.020 . 1 . . . 374 VAL HB . c16596_2kqe 1 97 . 1 1 12 12 VAL HG11 H 1 0.912 0.020 . 2 . . . 374 VAL HG11 . c16596_2kqe 1 98 . 1 1 12 12 VAL HG12 H 1 0.912 0.020 . 2 . . . 374 VAL HG12 . c16596_2kqe 1 99 . 1 1 12 12 VAL HG13 H 1 0.912 0.020 . 2 . . . 374 VAL HG13 . c16596_2kqe 1 100 . 1 1 12 12 VAL HG21 H 1 0.880 0.020 . 2 . . . 374 VAL HG21 . c16596_2kqe 1 101 . 1 1 12 12 VAL HG22 H 1 0.880 0.020 . 2 . . . 374 VAL HG22 . c16596_2kqe 1 102 . 1 1 12 12 VAL HG23 H 1 0.880 0.020 . 2 . . . 374 VAL HG23 . c16596_2kqe 1 103 . 1 1 12 12 VAL CA C 13 62.169 0.100 . 1 . . . 374 VAL CA . c16596_2kqe 1 104 . 1 1 12 12 VAL CB C 13 32.862 0.100 . 1 . . . 374 VAL CB . c16596_2kqe 1 105 . 1 1 12 12 VAL CG1 C 13 20.770 0.100 . 2 . . . 374 VAL CG1 . c16596_2kqe 1 106 . 1 1 12 12 VAL CG2 C 13 21.227 0.100 . 2 . . . 374 VAL CG2 . c16596_2kqe 1 107 . 1 1 12 12 VAL N N 15 121.704 0.100 . 1 . . . 374 VAL N . c16596_2kqe 1 108 . 1 1 13 13 LYS H H 1 8.415 0.020 . 1 . . . 375 LYS H . c16596_2kqe 1 109 . 1 1 13 13 LYS HA H 1 4.383 0.020 . 1 . . . 375 LYS HA . c16596_2kqe 1 110 . 1 1 13 13 LYS HB2 H 1 1.841 0.020 . 2 . . . 375 LYS HB2 . c16596_2kqe 1 111 . 1 1 13 13 LYS HB3 H 1 1.761 0.020 . 2 . . . 375 LYS HB3 . c16596_2kqe 1 112 . 1 1 13 13 LYS HD2 H 1 1.703 0.020 . 1 . . . 375 LYS HD2 . c16596_2kqe 1 113 . 1 1 13 13 LYS HD3 H 1 1.703 0.020 . 1 . . . 375 LYS HD3 . c16596_2kqe 1 114 . 1 1 13 13 LYS HE2 H 1 3.021 0.020 . 1 . . . 375 LYS HE2 . c16596_2kqe 1 115 . 1 1 13 13 LYS HE3 H 1 3.021 0.020 . 1 . . . 375 LYS HE3 . c16596_2kqe 1 116 . 1 1 13 13 LYS HG2 H 1 1.421 0.020 . 1 . . . 375 LYS HG2 . c16596_2kqe 1 117 . 1 1 13 13 LYS HG3 H 1 1.421 0.020 . 1 . . . 375 LYS HG3 . c16596_2kqe 1 118 . 1 1 13 13 LYS CA C 13 55.989 0.100 . 1 . . . 375 LYS CA . c16596_2kqe 1 119 . 1 1 13 13 LYS CB C 13 33.159 0.100 . 1 . . . 375 LYS CB . c16596_2kqe 1 120 . 1 1 13 13 LYS CD C 13 29.156 0.100 . 1 . . . 375 LYS CD . c16596_2kqe 1 121 . 1 1 13 13 LYS CE C 13 42.203 0.100 . 1 . . . 375 LYS CE . c16596_2kqe 1 122 . 1 1 13 13 LYS CG C 13 24.756 0.100 . 1 . . . 375 LYS CG . c16596_2kqe 1 123 . 1 1 13 13 LYS N N 15 126.419 0.100 . 1 . . . 375 LYS N . c16596_2kqe 1 124 . 1 1 14 14 ARG H H 1 8.753 0.020 . 1 . . . 376 ARG H . c16596_2kqe 1 125 . 1 1 14 14 ARG HA H 1 4.363 0.020 . 1 . . . 376 ARG HA . c16596_2kqe 1 126 . 1 1 14 14 ARG HB2 H 1 1.802 0.020 . 2 . . . 376 ARG HB2 . c16596_2kqe 1 127 . 1 1 14 14 ARG HB3 H 1 1.489 0.020 . 2 . . . 376 ARG HB3 . c16596_2kqe 1 128 . 1 1 14 14 ARG HD2 H 1 3.158 0.020 . 2 . . . 376 ARG HD2 . c16596_2kqe 1 129 . 1 1 14 14 ARG HD3 H 1 2.687 0.020 . 2 . . . 376 ARG HD3 . c16596_2kqe 1 130 . 1 1 14 14 ARG HG2 H 1 1.669 0.020 . 2 . . . 376 ARG HG2 . c16596_2kqe 1 131 . 1 1 14 14 ARG HG3 H 1 1.489 0.020 . 2 . . . 376 ARG HG3 . c16596_2kqe 1 132 . 1 1 14 14 ARG CA C 13 56.293 0.100 . 1 . . . 376 ARG CA . c16596_2kqe 1 133 . 1 1 14 14 ARG CB C 13 32.331 0.100 . 1 . . . 376 ARG CB . c16596_2kqe 1 134 . 1 1 14 14 ARG CD C 13 44.259 0.100 . 1 . . . 376 ARG CD . c16596_2kqe 1 135 . 1 1 14 14 ARG CG C 13 26.170 0.100 . 1 . . . 376 ARG CG . c16596_2kqe 1 136 . 1 1 14 14 ARG N N 15 123.397 0.100 . 1 . . . 376 ARG N . c16596_2kqe 1 137 . 1 1 15 15 THR H H 1 8.081 0.020 . 1 . . . 377 THR H . c16596_2kqe 1 138 . 1 1 15 15 THR HA H 1 4.398 0.020 . 1 . . . 377 THR HA . c16596_2kqe 1 139 . 1 1 15 15 THR HB H 1 4.027 0.020 . 1 . . . 377 THR HB . c16596_2kqe 1 140 . 1 1 15 15 THR HG21 H 1 1.350 0.020 . 1 . . . 377 THR HG21 . c16596_2kqe 1 141 . 1 1 15 15 THR HG22 H 1 1.350 0.020 . 1 . . . 377 THR HG22 . c16596_2kqe 1 142 . 1 1 15 15 THR HG23 H 1 1.350 0.020 . 1 . . . 377 THR HG23 . c16596_2kqe 1 143 . 1 1 15 15 THR CA C 13 61.533 0.100 . 1 . . . 377 THR CA . c16596_2kqe 1 144 . 1 1 15 15 THR CB C 13 70.409 0.100 . 1 . . . 377 THR CB . c16596_2kqe 1 145 . 1 1 15 15 THR CG2 C 13 21.805 0.100 . 1 . . . 377 THR CG2 . c16596_2kqe 1 146 . 1 1 15 15 THR N N 15 117.600 0.100 . 1 . . . 377 THR N . c16596_2kqe 1 147 . 1 1 16 16 SER H H 1 8.614 0.020 . 1 . . . 378 SER H . c16596_2kqe 1 148 . 1 1 16 16 SER HA H 1 4.853 0.020 . 1 . . . 378 SER HA . c16596_2kqe 1 149 . 1 1 16 16 SER HB2 H 1 3.663 0.020 . 2 . . . 378 SER HB2 . c16596_2kqe 1 150 . 1 1 16 16 SER HB3 H 1 3.580 0.020 . 2 . . . 378 SER HB3 . c16596_2kqe 1 151 . 1 1 16 16 SER CA C 13 59.098 0.100 . 1 . . . 378 SER CA . c16596_2kqe 1 152 . 1 1 16 16 SER CB C 13 63.763 0.100 . 1 . . . 378 SER CB . c16596_2kqe 1 153 . 1 1 16 16 SER N N 15 121.120 0.100 . 1 . . . 378 SER N . c16596_2kqe 1 154 . 1 1 17 17 CYS H H 1 9.252 0.020 . 1 . . . 379 CYS H . c16596_2kqe 1 155 . 1 1 17 17 CYS HA H 1 3.994 0.020 . 1 . . . 379 CYS HA . c16596_2kqe 1 156 . 1 1 17 17 CYS HB2 H 1 2.539 0.020 . 2 . . . 379 CYS HB2 . c16596_2kqe 1 157 . 1 1 17 17 CYS HB3 H 1 2.163 0.020 . 2 . . . 379 CYS HB3 . c16596_2kqe 1 158 . 1 1 17 17 CYS CA C 13 60.962 0.100 . 1 . . . 379 CYS CA . c16596_2kqe 1 159 . 1 1 17 17 CYS CB C 13 29.581 0.100 . 1 . . . 379 CYS CB . c16596_2kqe 1 160 . 1 1 17 17 CYS N N 15 127.790 0.100 . 1 . . . 379 CYS N . c16596_2kqe 1 161 . 1 1 18 18 MET H H 1 8.831 0.020 . 1 . . . 380 MET H . c16596_2kqe 1 162 . 1 1 18 18 MET HA H 1 4.212 0.020 . 1 . . . 380 MET HA . c16596_2kqe 1 163 . 1 1 18 18 MET HB2 H 1 1.917 0.020 . 2 . . . 380 MET HB2 . c16596_2kqe 1 164 . 1 1 18 18 MET HB3 H 1 1.910 0.020 . 2 . . . 380 MET HB3 . c16596_2kqe 1 165 . 1 1 18 18 MET HE1 H 1 1.949 0.020 . 1 . . . 380 MET HE1 . c16596_2kqe 1 166 . 1 1 18 18 MET HE2 H 1 1.949 0.020 . 1 . . . 380 MET HE2 . c16596_2kqe 1 167 . 1 1 18 18 MET HE3 H 1 1.949 0.020 . 1 . . . 380 MET HE3 . c16596_2kqe 1 168 . 1 1 18 18 MET HG2 H 1 2.210 0.020 . 2 . . . 380 MET HG2 . c16596_2kqe 1 169 . 1 1 18 18 MET HG3 H 1 1.792 0.020 . 2 . . . 380 MET HG3 . c16596_2kqe 1 170 . 1 1 18 18 MET CA C 13 58.209 0.100 . 1 . . . 380 MET CA . c16596_2kqe 1 171 . 1 1 18 18 MET CB C 13 31.936 0.100 . 1 . . . 380 MET CB . c16596_2kqe 1 172 . 1 1 18 18 MET CE C 13 16.887 0.100 . 1 . . . 380 MET CE . c16596_2kqe 1 173 . 1 1 18 18 MET CG C 13 30.651 0.100 . 1 . . . 380 MET CG . c16596_2kqe 1 174 . 1 1 18 18 MET N N 15 130.017 0.100 . 1 . . . 380 MET N . c16596_2kqe 1 175 . 1 1 19 19 TYR H H 1 8.701 0.020 . 1 . . . 381 TYR H . c16596_2kqe 1 176 . 1 1 19 19 TYR HA H 1 4.579 0.020 . 1 . . . 381 TYR HA . c16596_2kqe 1 177 . 1 1 19 19 TYR HB2 H 1 3.031 0.020 . 2 . . . 381 TYR HB2 . c16596_2kqe 1 178 . 1 1 19 19 TYR HB3 H 1 2.936 0.020 . 2 . . . 381 TYR HB3 . c16596_2kqe 1 179 . 1 1 19 19 TYR HD1 H 1 7.235 0.020 . 3 . . . 381 TYR HD1 . c16596_2kqe 1 180 . 1 1 19 19 TYR HD2 H 1 7.235 0.020 . 3 . . . 381 TYR HD2 . c16596_2kqe 1 181 . 1 1 19 19 TYR HE1 H 1 6.827 0.020 . 3 . . . 381 TYR HE1 . c16596_2kqe 1 182 . 1 1 19 19 TYR HE2 H 1 6.827 0.020 . 3 . . . 381 TYR HE2 . c16596_2kqe 1 183 . 1 1 19 19 TYR CA C 13 58.762 0.100 . 1 . . . 381 TYR CA . c16596_2kqe 1 184 . 1 1 19 19 TYR CB C 13 37.595 0.100 . 1 . . . 381 TYR CB . c16596_2kqe 1 185 . 1 1 19 19 TYR CD1 C 13 133.153 0.100 . 3 . . . 381 TYR CD1 . c16596_2kqe 1 186 . 1 1 19 19 TYR CD2 C 13 133.153 0.100 . 3 . . . 381 TYR CD2 . c16596_2kqe 1 187 . 1 1 19 19 TYR CE1 C 13 118.445 0.100 . 3 . . . 381 TYR CE1 . c16596_2kqe 1 188 . 1 1 19 19 TYR CE2 C 13 118.445 0.100 . 3 . . . 381 TYR CE2 . c16596_2kqe 1 189 . 1 1 19 19 TYR N N 15 120.369 0.100 . 1 . . . 381 TYR N . c16596_2kqe 1 190 . 1 1 20 20 GLY H H 1 7.760 0.020 . 1 . . . 382 GLY H . c16596_2kqe 1 191 . 1 1 20 20 GLY HA2 H 1 3.710 0.020 . 2 . . . 382 GLY HA2 . c16596_2kqe 1 192 . 1 1 20 20 GLY HA3 H 1 4.085 0.020 . 2 . . . 382 GLY HA3 . c16596_2kqe 1 193 . 1 1 20 20 GLY CA C 13 47.627 0.100 . 1 . . . 382 GLY CA . c16596_2kqe 1 194 . 1 1 20 20 GLY N N 15 107.481 0.100 . 1 . . . 382 GLY N . c16596_2kqe 1 195 . 1 1 21 21 ALA H H 1 9.248 0.020 . 1 . . . 383 ALA H . c16596_2kqe 1 196 . 1 1 21 21 ALA HA H 1 4.354 0.020 . 1 . . . 383 ALA HA . c16596_2kqe 1 197 . 1 1 21 21 ALA HB1 H 1 1.506 0.020 . 1 . . . 383 ALA HB1 . c16596_2kqe 1 198 . 1 1 21 21 ALA HB2 H 1 1.506 0.020 . 1 . . . 383 ALA HB2 . c16596_2kqe 1 199 . 1 1 21 21 ALA HB3 H 1 1.506 0.020 . 1 . . . 383 ALA HB3 . c16596_2kqe 1 200 . 1 1 21 21 ALA CA C 13 53.398 0.100 . 1 . . . 383 ALA CA . c16596_2kqe 1 201 . 1 1 21 21 ALA CB C 13 18.808 0.100 . 1 . . . 383 ALA CB . c16596_2kqe 1 202 . 1 1 21 21 ALA N N 15 128.449 0.100 . 1 . . . 383 ALA N . c16596_2kqe 1 203 . 1 1 22 22 ASN H H 1 8.261 0.020 . 1 . . . 384 ASN H . c16596_2kqe 1 204 . 1 1 22 22 ASN HA H 1 4.944 0.020 . 1 . . . 384 ASN HA . c16596_2kqe 1 205 . 1 1 22 22 ASN HB2 H 1 3.117 0.020 . 2 . . . 384 ASN HB2 . c16596_2kqe 1 206 . 1 1 22 22 ASN HB3 H 1 2.835 0.020 . 2 . . . 384 ASN HB3 . c16596_2kqe 1 207 . 1 1 22 22 ASN HD21 H 1 7.766 0.020 . 1 . . . 384 ASN HD21 . c16596_2kqe 1 208 . 1 1 22 22 ASN HD22 H 1 7.065 0.020 . 1 . . . 384 ASN HD22 . c16596_2kqe 1 209 . 1 1 22 22 ASN CA C 13 52.140 0.100 . 1 . . . 384 ASN CA . c16596_2kqe 1 210 . 1 1 22 22 ASN CB C 13 38.940 0.100 . 1 . . . 384 ASN CB . c16596_2kqe 1 211 . 1 1 22 22 ASN N N 15 115.516 0.100 . 1 . . . 384 ASN N . c16596_2kqe 1 212 . 1 1 22 22 ASN ND2 N 15 113.728 0.100 . 1 . . . 384 ASN ND2 . c16596_2kqe 1 213 . 1 1 23 23 CYS H H 1 7.174 0.020 . 1 . . . 385 CYS H . c16596_2kqe 1 214 . 1 1 23 23 CYS HA H 1 3.736 0.020 . 1 . . . 385 CYS HA . c16596_2kqe 1 215 . 1 1 23 23 CYS HB2 H 1 3.186 0.020 . 1 . . . 385 CYS HB2 . c16596_2kqe 1 216 . 1 1 23 23 CYS HB3 H 1 3.186 0.020 . 1 . . . 385 CYS HB3 . c16596_2kqe 1 217 . 1 1 23 23 CYS CA C 13 61.867 0.100 . 1 . . . 385 CYS CA . c16596_2kqe 1 218 . 1 1 23 23 CYS CB C 13 29.434 0.100 . 1 . . . 385 CYS CB . c16596_2kqe 1 219 . 1 1 23 23 CYS N N 15 121.580 0.100 . 1 . . . 385 CYS N . c16596_2kqe 1 220 . 1 1 24 24 TYR H H 1 7.680 0.020 . 1 . . . 386 TYR H . c16596_2kqe 1 221 . 1 1 24 24 TYR HA H 1 4.858 0.020 . 1 . . . 386 TYR HA . c16596_2kqe 1 222 . 1 1 24 24 TYR HB2 H 1 3.033 0.020 . 1 . . . 386 TYR HB2 . c16596_2kqe 1 223 . 1 1 24 24 TYR HB3 H 1 3.033 0.020 . 1 . . . 386 TYR HB3 . c16596_2kqe 1 224 . 1 1 24 24 TYR HD1 H 1 7.002 0.020 . 3 . . . 386 TYR HD1 . c16596_2kqe 1 225 . 1 1 24 24 TYR HD2 H 1 7.002 0.020 . 3 . . . 386 TYR HD2 . c16596_2kqe 1 226 . 1 1 24 24 TYR HE1 H 1 6.663 0.020 . 3 . . . 386 TYR HE1 . c16596_2kqe 1 227 . 1 1 24 24 TYR HE2 H 1 6.663 0.020 . 3 . . . 386 TYR HE2 . c16596_2kqe 1 228 . 1 1 24 24 TYR CA C 13 56.348 0.100 . 1 . . . 386 TYR CA . c16596_2kqe 1 229 . 1 1 24 24 TYR CB C 13 38.216 0.100 . 1 . . . 386 TYR CB . c16596_2kqe 1 230 . 1 1 24 24 TYR CD1 C 13 133.351 0.100 . 3 . . . 386 TYR CD1 . c16596_2kqe 1 231 . 1 1 24 24 TYR CD2 C 13 133.351 0.100 . 3 . . . 386 TYR CD2 . c16596_2kqe 1 232 . 1 1 24 24 TYR CE1 C 13 118.274 0.100 . 3 . . . 386 TYR CE1 . c16596_2kqe 1 233 . 1 1 24 24 TYR CE2 C 13 118.274 0.100 . 3 . . . 386 TYR CE2 . c16596_2kqe 1 234 . 1 1 24 24 TYR N N 15 126.676 0.100 . 1 . . . 386 TYR N . c16596_2kqe 1 235 . 1 1 25 25 ARG H H 1 7.988 0.020 . 1 . . . 387 ARG H . c16596_2kqe 1 236 . 1 1 25 25 ARG HA H 1 4.054 0.020 . 1 . . . 387 ARG HA . c16596_2kqe 1 237 . 1 1 25 25 ARG HB2 H 1 1.422 0.020 . 2 . . . 387 ARG HB2 . c16596_2kqe 1 238 . 1 1 25 25 ARG HB3 H 1 1.214 0.020 . 2 . . . 387 ARG HB3 . c16596_2kqe 1 239 . 1 1 25 25 ARG HD2 H 1 2.643 0.020 . 2 . . . 387 ARG HD2 . c16596_2kqe 1 240 . 1 1 25 25 ARG HD3 H 1 2.553 0.020 . 2 . . . 387 ARG HD3 . c16596_2kqe 1 241 . 1 1 25 25 ARG HG2 H 1 1.090 0.020 . 2 . . . 387 ARG HG2 . c16596_2kqe 1 242 . 1 1 25 25 ARG HG3 H 1 0.526 0.020 . 2 . . . 387 ARG HG3 . c16596_2kqe 1 243 . 1 1 25 25 ARG CA C 13 56.282 0.100 . 1 . . . 387 ARG CA . c16596_2kqe 1 244 . 1 1 25 25 ARG CB C 13 29.894 0.100 . 1 . . . 387 ARG CB . c16596_2kqe 1 245 . 1 1 25 25 ARG CD C 13 41.450 0.100 . 1 . . . 387 ARG CD . c16596_2kqe 1 246 . 1 1 25 25 ARG CG C 13 26.511 0.100 . 1 . . . 387 ARG CG . c16596_2kqe 1 247 . 1 1 25 25 ARG N N 15 123.491 0.100 . 1 . . . 387 ARG N . c16596_2kqe 1 248 . 1 1 26 26 LYS H H 1 8.951 0.020 . 1 . . . 388 LYS H . c16596_2kqe 1 249 . 1 1 26 26 LYS HA H 1 4.635 0.020 . 1 . . . 388 LYS HA . c16596_2kqe 1 250 . 1 1 26 26 LYS HB2 H 1 1.972 0.020 . 2 . . . 388 LYS HB2 . c16596_2kqe 1 251 . 1 1 26 26 LYS HB3 H 1 1.865 0.020 . 2 . . . 388 LYS HB3 . c16596_2kqe 1 252 . 1 1 26 26 LYS HD2 H 1 1.751 0.020 . 2 . . . 388 LYS HD2 . c16596_2kqe 1 253 . 1 1 26 26 LYS HD3 H 1 1.711 0.020 . 2 . . . 388 LYS HD3 . c16596_2kqe 1 254 . 1 1 26 26 LYS HE2 H 1 3.064 0.020 . 1 . . . 388 LYS HE2 . c16596_2kqe 1 255 . 1 1 26 26 LYS HE3 H 1 3.064 0.020 . 1 . . . 388 LYS HE3 . c16596_2kqe 1 256 . 1 1 26 26 LYS HG2 H 1 1.533 0.020 . 2 . . . 388 LYS HG2 . c16596_2kqe 1 257 . 1 1 26 26 LYS HG3 H 1 1.488 0.020 . 2 . . . 388 LYS HG3 . c16596_2kqe 1 258 . 1 1 26 26 LYS CA C 13 55.605 0.100 . 1 . . . 388 LYS CA . c16596_2kqe 1 259 . 1 1 26 26 LYS CB C 13 34.387 0.100 . 1 . . . 388 LYS CB . c16596_2kqe 1 260 . 1 1 26 26 LYS CD C 13 28.900 0.100 . 1 . . . 388 LYS CD . c16596_2kqe 1 261 . 1 1 26 26 LYS CE C 13 42.264 0.100 . 1 . . . 388 LYS CE . c16596_2kqe 1 262 . 1 1 26 26 LYS CG C 13 24.614 0.100 . 1 . . . 388 LYS CG . c16596_2kqe 1 263 . 1 1 26 26 LYS N N 15 118.569 0.100 . 1 . . . 388 LYS N . c16596_2kqe 1 264 . 1 1 27 27 ASN H H 1 8.400 0.020 . 1 . . . 389 ASN H . c16596_2kqe 1 265 . 1 1 27 27 ASN HA H 1 4.950 0.020 . 1 . . . 389 ASN HA . c16596_2kqe 1 266 . 1 1 27 27 ASN HB2 H 1 2.987 0.020 . 1 . . . 389 ASN HB2 . c16596_2kqe 1 267 . 1 1 27 27 ASN HB3 H 1 2.987 0.020 . 1 . . . 389 ASN HB3 . c16596_2kqe 1 268 . 1 1 27 27 ASN HD21 H 1 8.172 0.020 . 1 . . . 389 ASN HD21 . c16596_2kqe 1 269 . 1 1 27 27 ASN HD22 H 1 7.246 0.020 . 1 . . . 389 ASN HD22 . c16596_2kqe 1 270 . 1 1 27 27 ASN CA C 13 51.827 0.100 . 1 . . . 389 ASN CA . c16596_2kqe 1 271 . 1 1 27 27 ASN CB C 13 39.171 0.100 . 1 . . . 389 ASN CB . c16596_2kqe 1 272 . 1 1 27 27 ASN N N 15 122.702 0.100 . 1 . . . 389 ASN N . c16596_2kqe 1 273 . 1 1 27 27 ASN ND2 N 15 115.482 0.100 . 1 . . . 389 ASN ND2 . c16596_2kqe 1 274 . 1 1 28 28 PRO HA H 1 4.595 0.020 . 1 . . . 390 PRO HA . c16596_2kqe 1 275 . 1 1 28 28 PRO HB2 H 1 2.548 0.020 . 2 . . . 390 PRO HB2 . c16596_2kqe 1 276 . 1 1 28 28 PRO HB3 H 1 2.091 0.020 . 2 . . . 390 PRO HB3 . c16596_2kqe 1 277 . 1 1 28 28 PRO HD2 H 1 4.200 0.020 . 2 . . . 390 PRO HD2 . c16596_2kqe 1 278 . 1 1 28 28 PRO HD3 H 1 4.022 0.020 . 2 . . . 390 PRO HD3 . c16596_2kqe 1 279 . 1 1 28 28 PRO HG2 H 1 2.226 0.020 . 2 . . . 390 PRO HG2 . c16596_2kqe 1 280 . 1 1 28 28 PRO HG3 H 1 2.182 0.020 . 2 . . . 390 PRO HG3 . c16596_2kqe 1 281 . 1 1 28 28 PRO CA C 13 65.632 0.100 . 1 . . . 390 PRO CA . c16596_2kqe 1 282 . 1 1 28 28 PRO CB C 13 32.574 0.100 . 1 . . . 390 PRO CB . c16596_2kqe 1 283 . 1 1 28 28 PRO CD C 13 51.307 0.100 . 1 . . . 390 PRO CD . c16596_2kqe 1 284 . 1 1 28 28 PRO CG C 13 27.713 0.100 . 1 . . . 390 PRO CG . c16596_2kqe 1 285 . 1 1 29 29 VAL H H 1 8.337 0.020 . 1 . . . 391 VAL H . c16596_2kqe 1 286 . 1 1 29 29 VAL HA H 1 3.818 0.020 . 1 . . . 391 VAL HA . c16596_2kqe 1 287 . 1 1 29 29 VAL HB H 1 2.060 0.020 . 1 . . . 391 VAL HB . c16596_2kqe 1 288 . 1 1 29 29 VAL HG11 H 1 1.091 0.020 . 2 . . . 391 VAL HG11 . c16596_2kqe 1 289 . 1 1 29 29 VAL HG12 H 1 1.091 0.020 . 2 . . . 391 VAL HG12 . c16596_2kqe 1 290 . 1 1 29 29 VAL HG13 H 1 1.091 0.020 . 2 . . . 391 VAL HG13 . c16596_2kqe 1 291 . 1 1 29 29 VAL HG21 H 1 0.945 0.020 . 2 . . . 391 VAL HG21 . c16596_2kqe 1 292 . 1 1 29 29 VAL HG22 H 1 0.945 0.020 . 2 . . . 391 VAL HG22 . c16596_2kqe 1 293 . 1 1 29 29 VAL HG23 H 1 0.945 0.020 . 2 . . . 391 VAL HG23 . c16596_2kqe 1 294 . 1 1 29 29 VAL CA C 13 65.608 0.100 . 1 . . . 391 VAL CA . c16596_2kqe 1 295 . 1 1 29 29 VAL CB C 13 31.546 0.100 . 1 . . . 391 VAL CB . c16596_2kqe 1 296 . 1 1 29 29 VAL CG1 C 13 22.609 0.100 . 2 . . . 391 VAL CG1 . c16596_2kqe 1 297 . 1 1 29 29 VAL CG2 C 13 21.315 0.100 . 2 . . . 391 VAL CG2 . c16596_2kqe 1 298 . 1 1 29 29 VAL N N 15 117.431 0.100 . 1 . . . 391 VAL N . c16596_2kqe 1 299 . 1 1 30 30 HIS H H 1 8.037 0.020 . 1 . . . 392 HIS H . c16596_2kqe 1 300 . 1 1 30 30 HIS HA H 1 4.565 0.020 . 1 . . . 392 HIS HA . c16596_2kqe 1 301 . 1 1 30 30 HIS HB2 H 1 3.278 0.020 . 2 . . . 392 HIS HB2 . c16596_2kqe 1 302 . 1 1 30 30 HIS HB3 H 1 3.117 0.020 . 2 . . . 392 HIS HB3 . c16596_2kqe 1 303 . 1 1 30 30 HIS HD2 H 1 5.365 0.020 . 1 . . . 392 HIS HD2 . c16596_2kqe 1 304 . 1 1 30 30 HIS HE1 H 1 7.590 0.020 . 1 . . . 392 HIS HE1 . c16596_2kqe 1 305 . 1 1 30 30 HIS CA C 13 60.297 0.100 . 1 . . . 392 HIS CA . c16596_2kqe 1 306 . 1 1 30 30 HIS CB C 13 27.700 0.100 . 1 . . . 392 HIS CB . c16596_2kqe 1 307 . 1 1 30 30 HIS CD2 C 13 126.955 0.100 . 1 . . . 392 HIS CD2 . c16596_2kqe 1 308 . 1 1 30 30 HIS CE1 C 13 140.050 0.100 . 1 . . . 392 HIS CE1 . c16596_2kqe 1 309 . 1 1 30 30 HIS N N 15 120.267 0.100 . 1 . . . 392 HIS N . c16596_2kqe 1 310 . 1 1 31 31 PHE H H 1 7.059 0.020 . 1 . . . 393 PHE H . c16596_2kqe 1 311 . 1 1 31 31 PHE HA H 1 4.465 0.020 . 1 . . . 393 PHE HA . c16596_2kqe 1 312 . 1 1 31 31 PHE HB2 H 1 3.451 0.020 . 2 . . . 393 PHE HB2 . c16596_2kqe 1 313 . 1 1 31 31 PHE HB3 H 1 3.004 0.020 . 2 . . . 393 PHE HB3 . c16596_2kqe 1 314 . 1 1 31 31 PHE HD1 H 1 7.257 0.020 . 3 . . . 393 PHE HD1 . c16596_2kqe 1 315 . 1 1 31 31 PHE HD2 H 1 7.257 0.020 . 3 . . . 393 PHE HD2 . c16596_2kqe 1 316 . 1 1 31 31 PHE HE1 H 1 6.872 0.020 . 3 . . . 393 PHE HE1 . c16596_2kqe 1 317 . 1 1 31 31 PHE HE2 H 1 6.872 0.020 . 3 . . . 393 PHE HE2 . c16596_2kqe 1 318 . 1 1 31 31 PHE HZ H 1 7.294 0.020 . 1 . . . 393 PHE HZ . c16596_2kqe 1 319 . 1 1 31 31 PHE CA C 13 59.951 0.100 . 1 . . . 393 PHE CA . c16596_2kqe 1 320 . 1 1 31 31 PHE CB C 13 38.577 0.100 . 1 . . . 393 PHE CB . c16596_2kqe 1 321 . 1 1 31 31 PHE CD1 C 13 131.674 0.100 . 3 . . . 393 PHE CD1 . c16596_2kqe 1 322 . 1 1 31 31 PHE CD2 C 13 131.674 0.100 . 3 . . . 393 PHE CD2 . c16596_2kqe 1 323 . 1 1 31 31 PHE CE1 C 13 131.277 0.100 . 3 . . . 393 PHE CE1 . c16596_2kqe 1 324 . 1 1 31 31 PHE CE2 C 13 131.277 0.100 . 3 . . . 393 PHE CE2 . c16596_2kqe 1 325 . 1 1 31 31 PHE CZ C 13 131.136 0.100 . 1 . . . 393 PHE CZ . c16596_2kqe 1 326 . 1 1 31 31 PHE N N 15 114.802 0.100 . 1 . . . 393 PHE N . c16596_2kqe 1 327 . 1 1 32 32 GLN H H 1 7.671 0.020 . 1 . . . 394 GLN H . c16596_2kqe 1 328 . 1 1 32 32 GLN HA H 1 4.261 0.020 . 1 . . . 394 GLN HA . c16596_2kqe 1 329 . 1 1 32 32 GLN HB2 H 1 2.152 0.020 . 2 . . . 394 GLN HB2 . c16596_2kqe 1 330 . 1 1 32 32 GLN HB3 H 1 2.034 0.020 . 2 . . . 394 GLN HB3 . c16596_2kqe 1 331 . 1 1 32 32 GLN HE21 H 1 7.441 0.020 . 1 . . . 394 GLN HE21 . c16596_2kqe 1 332 . 1 1 32 32 GLN HE22 H 1 6.837 0.020 . 1 . . . 394 GLN HE22 . c16596_2kqe 1 333 . 1 1 32 32 GLN HG2 H 1 2.498 0.020 . 2 . . . 394 GLN HG2 . c16596_2kqe 1 334 . 1 1 32 32 GLN HG3 H 1 2.326 0.020 . 2 . . . 394 GLN HG3 . c16596_2kqe 1 335 . 1 1 32 32 GLN CA C 13 57.393 0.100 . 1 . . . 394 GLN CA . c16596_2kqe 1 336 . 1 1 32 32 GLN CB C 13 28.710 0.100 . 1 . . . 394 GLN CB . c16596_2kqe 1 337 . 1 1 32 32 GLN CG C 13 33.722 0.100 . 1 . . . 394 GLN CG . c16596_2kqe 1 338 . 1 1 32 32 GLN N N 15 117.129 0.100 . 1 . . . 394 GLN N . c16596_2kqe 1 339 . 1 1 32 32 GLN NE2 N 15 111.046 0.100 . 1 . . . 394 GLN NE2 . c16596_2kqe 1 340 . 1 1 33 33 HIS H H 1 7.581 0.020 . 1 . . . 395 HIS H . c16596_2kqe 1 341 . 1 1 33 33 HIS HA H 1 4.498 0.020 . 1 . . . 395 HIS HA . c16596_2kqe 1 342 . 1 1 33 33 HIS HB2 H 1 3.016 0.020 . 2 . . . 395 HIS HB2 . c16596_2kqe 1 343 . 1 1 33 33 HIS HB3 H 1 2.794 0.020 . 2 . . . 395 HIS HB3 . c16596_2kqe 1 344 . 1 1 33 33 HIS HD2 H 1 7.063 0.020 . 1 . . . 395 HIS HD2 . c16596_2kqe 1 345 . 1 1 33 33 HIS HE1 H 1 8.396 0.020 . 1 . . . 395 HIS HE1 . c16596_2kqe 1 346 . 1 1 33 33 HIS CA C 13 56.467 0.100 . 1 . . . 395 HIS CA . c16596_2kqe 1 347 . 1 1 33 33 HIS CB C 13 31.398 0.100 . 1 . . . 395 HIS CB . c16596_2kqe 1 348 . 1 1 33 33 HIS CD2 C 13 119.241 0.100 . 1 . . . 395 HIS CD2 . c16596_2kqe 1 349 . 1 1 33 33 HIS CE1 C 13 137.197 0.100 . 1 . . . 395 HIS CE1 . c16596_2kqe 1 350 . 1 1 33 33 HIS N N 15 115.481 0.100 . 1 . . . 395 HIS N . c16596_2kqe 1 351 . 1 1 34 34 PHE H H 1 8.044 0.020 . 1 . . . 396 PHE H . c16596_2kqe 1 352 . 1 1 34 34 PHE HA H 1 5.398 0.020 . 1 . . . 396 PHE HA . c16596_2kqe 1 353 . 1 1 34 34 PHE HB2 H 1 2.534 0.020 . 2 . . . 396 PHE HB2 . c16596_2kqe 1 354 . 1 1 34 34 PHE HB3 H 1 2.074 0.020 . 2 . . . 396 PHE HB3 . c16596_2kqe 1 355 . 1 1 34 34 PHE HD1 H 1 7.145 0.020 . 3 . . . 396 PHE HD1 . c16596_2kqe 1 356 . 1 1 34 34 PHE HD2 H 1 7.145 0.020 . 3 . . . 396 PHE HD2 . c16596_2kqe 1 357 . 1 1 34 34 PHE HE1 H 1 7.456 0.020 . 3 . . . 396 PHE HE1 . c16596_2kqe 1 358 . 1 1 34 34 PHE HE2 H 1 7.456 0.020 . 3 . . . 396 PHE HE2 . c16596_2kqe 1 359 . 1 1 34 34 PHE HZ H 1 7.375 0.020 . 1 . . . 396 PHE HZ . c16596_2kqe 1 360 . 1 1 34 34 PHE CA C 13 56.318 0.100 . 1 . . . 396 PHE CA . c16596_2kqe 1 361 . 1 1 34 34 PHE CB C 13 41.617 0.100 . 1 . . . 396 PHE CB . c16596_2kqe 1 362 . 1 1 34 34 PHE CD1 C 13 132.071 0.100 . 3 . . . 396 PHE CD1 . c16596_2kqe 1 363 . 1 1 34 34 PHE CD2 C 13 132.071 0.100 . 3 . . . 396 PHE CD2 . c16596_2kqe 1 364 . 1 1 34 34 PHE CE1 C 13 131.413 0.100 . 3 . . . 396 PHE CE1 . c16596_2kqe 1 365 . 1 1 34 34 PHE CE2 C 13 131.413 0.100 . 3 . . . 396 PHE CE2 . c16596_2kqe 1 366 . 1 1 34 34 PHE CZ C 13 130.037 0.100 . 1 . . . 396 PHE CZ . c16596_2kqe 1 367 . 1 1 34 34 PHE N N 15 117.547 0.100 . 1 . . . 396 PHE N . c16596_2kqe 1 368 . 1 1 35 35 SER H H 1 8.603 0.020 . 1 . . . 397 SER H . c16596_2kqe 1 369 . 1 1 35 35 SER HA H 1 4.769 0.020 . 1 . . . 397 SER HA . c16596_2kqe 1 370 . 1 1 35 35 SER HB2 H 1 3.957 0.020 . 2 . . . 397 SER HB2 . c16596_2kqe 1 371 . 1 1 35 35 SER HB3 H 1 3.721 0.020 . 2 . . . 397 SER HB3 . c16596_2kqe 1 372 . 1 1 35 35 SER CA C 13 56.350 0.100 . 1 . . . 397 SER CA . c16596_2kqe 1 373 . 1 1 35 35 SER CB C 13 65.912 0.100 . 1 . . . 397 SER CB . c16596_2kqe 1 374 . 1 1 35 35 SER N N 15 114.732 0.100 . 1 . . . 397 SER N . c16596_2kqe 1 375 . 1 1 36 36 HIS H H 1 9.538 0.020 . 1 . . . 398 HIS H . c16596_2kqe 1 376 . 1 1 36 36 HIS HA H 1 4.572 0.020 . 1 . . . 398 HIS HA . c16596_2kqe 1 377 . 1 1 36 36 HIS HB2 H 1 3.316 0.020 . 2 . . . 398 HIS HB2 . c16596_2kqe 1 378 . 1 1 36 36 HIS HB3 H 1 2.738 0.020 . 2 . . . 398 HIS HB3 . c16596_2kqe 1 379 . 1 1 36 36 HIS HD2 H 1 7.272 0.020 . 1 . . . 398 HIS HD2 . c16596_2kqe 1 380 . 1 1 36 36 HIS HE1 H 1 6.923 0.020 . 1 . . . 398 HIS HE1 . c16596_2kqe 1 381 . 1 1 36 36 HIS CA C 13 56.432 0.100 . 1 . . . 398 HIS CA . c16596_2kqe 1 382 . 1 1 36 36 HIS CB C 13 29.935 0.100 . 1 . . . 398 HIS CB . c16596_2kqe 1 383 . 1 1 36 36 HIS CD2 C 13 126.313 0.100 . 1 . . . 398 HIS CD2 . c16596_2kqe 1 384 . 1 1 36 36 HIS CE1 C 13 138.078 0.100 . 1 . . . 398 HIS CE1 . c16596_2kqe 1 385 . 1 1 36 36 HIS N N 15 120.612 0.100 . 1 . . . 398 HIS N . c16596_2kqe 1 386 . 1 1 37 37 PRO HA H 1 3.457 0.020 . 1 . . . 399 PRO HA . c16596_2kqe 1 387 . 1 1 37 37 PRO HB2 H 1 2.172 0.020 . 2 . . . 399 PRO HB2 . c16596_2kqe 1 388 . 1 1 37 37 PRO HB3 H 1 1.779 0.020 . 2 . . . 399 PRO HB3 . c16596_2kqe 1 389 . 1 1 37 37 PRO HD2 H 1 3.439 0.020 . 2 . . . 399 PRO HD2 . c16596_2kqe 1 390 . 1 1 37 37 PRO HD3 H 1 2.976 0.020 . 2 . . . 399 PRO HD3 . c16596_2kqe 1 391 . 1 1 37 37 PRO HG2 H 1 1.903 0.020 . 2 . . . 399 PRO HG2 . c16596_2kqe 1 392 . 1 1 37 37 PRO HG3 H 1 1.627 0.020 . 2 . . . 399 PRO HG3 . c16596_2kqe 1 393 . 1 1 37 37 PRO CA C 13 64.278 0.100 . 1 . . . 399 PRO CA . c16596_2kqe 1 394 . 1 1 37 37 PRO CB C 13 30.979 0.100 . 1 . . . 399 PRO CB . c16596_2kqe 1 395 . 1 1 37 37 PRO CD C 13 49.319 0.100 . 1 . . . 399 PRO CD . c16596_2kqe 1 396 . 1 1 37 37 PRO CG C 13 27.515 0.100 . 1 . . . 399 PRO CG . c16596_2kqe 1 397 . 1 1 38 38 GLY H H 1 8.832 0.020 . 1 . . . 400 GLY H . c16596_2kqe 1 398 . 1 1 38 38 GLY HA2 H 1 3.593 0.020 . 2 . . . 400 GLY HA2 . c16596_2kqe 1 399 . 1 1 38 38 GLY HA3 H 1 4.522 0.020 . 2 . . . 400 GLY HA3 . c16596_2kqe 1 400 . 1 1 38 38 GLY CA C 13 44.843 0.100 . 1 . . . 400 GLY CA . c16596_2kqe 1 401 . 1 1 38 38 GLY N N 15 115.162 0.100 . 1 . . . 400 GLY N . c16596_2kqe 1 402 . 1 1 39 39 ASP H H 1 8.505 0.020 . 1 . . . 401 ASP H . c16596_2kqe 1 403 . 1 1 39 39 ASP HA H 1 4.938 0.020 . 1 . . . 401 ASP HA . c16596_2kqe 1 404 . 1 1 39 39 ASP HB2 H 1 3.202 0.020 . 2 . . . 401 ASP HB2 . c16596_2kqe 1 405 . 1 1 39 39 ASP HB3 H 1 3.003 0.020 . 2 . . . 401 ASP HB3 . c16596_2kqe 1 406 . 1 1 39 39 ASP CA C 13 54.320 0.100 . 1 . . . 401 ASP CA . c16596_2kqe 1 407 . 1 1 39 39 ASP CB C 13 41.893 0.100 . 1 . . . 401 ASP CB . c16596_2kqe 1 408 . 1 1 39 39 ASP N N 15 121.905 0.100 . 1 . . . 401 ASP N . c16596_2kqe 1 409 . 1 1 40 40 SER H H 1 9.378 0.020 . 1 . . . 402 SER H . c16596_2kqe 1 410 . 1 1 40 40 SER HA H 1 4.281 0.020 . 1 . . . 402 SER HA . c16596_2kqe 1 411 . 1 1 40 40 SER HB2 H 1 4.050 0.020 . 1 . . . 402 SER HB2 . c16596_2kqe 1 412 . 1 1 40 40 SER HB3 H 1 4.050 0.020 . 1 . . . 402 SER HB3 . c16596_2kqe 1 413 . 1 1 40 40 SER CA C 13 61.078 0.100 . 1 . . . 402 SER CA . c16596_2kqe 1 414 . 1 1 40 40 SER CB C 13 62.829 0.100 . 1 . . . 402 SER CB . c16596_2kqe 1 415 . 1 1 40 40 SER N N 15 119.493 0.100 . 1 . . . 402 SER N . c16596_2kqe 1 416 . 1 1 41 41 ASP H H 1 8.924 0.020 . 1 . . . 403 ASP H . c16596_2kqe 1 417 . 1 1 41 41 ASP HA H 1 4.697 0.020 . 1 . . . 403 ASP HA . c16596_2kqe 1 418 . 1 1 41 41 ASP HB2 H 1 3.063 0.020 . 2 . . . 403 ASP HB2 . c16596_2kqe 1 419 . 1 1 41 41 ASP HB3 H 1 2.668 0.020 . 2 . . . 403 ASP HB3 . c16596_2kqe 1 420 . 1 1 41 41 ASP CA C 13 52.287 0.100 . 1 . . . 403 ASP CA . c16596_2kqe 1 421 . 1 1 41 41 ASP CB C 13 39.077 0.100 . 1 . . . 403 ASP CB . c16596_2kqe 1 422 . 1 1 41 41 ASP N N 15 116.599 0.100 . 1 . . . 403 ASP N . c16596_2kqe 1 423 . 1 1 42 42 TYR H H 1 7.427 0.020 . 1 . . . 404 TYR H . c16596_2kqe 1 424 . 1 1 42 42 TYR HA H 1 4.452 0.020 . 1 . . . 404 TYR HA . c16596_2kqe 1 425 . 1 1 42 42 TYR HB2 H 1 3.073 0.020 . 2 . . . 404 TYR HB2 . c16596_2kqe 1 426 . 1 1 42 42 TYR HB3 H 1 2.949 0.020 . 2 . . . 404 TYR HB3 . c16596_2kqe 1 427 . 1 1 42 42 TYR HD1 H 1 7.067 0.020 . 3 . . . 404 TYR HD1 . c16596_2kqe 1 428 . 1 1 42 42 TYR HD2 H 1 7.067 0.020 . 3 . . . 404 TYR HD2 . c16596_2kqe 1 429 . 1 1 42 42 TYR HE1 H 1 6.872 0.020 . 3 . . . 404 TYR HE1 . c16596_2kqe 1 430 . 1 1 42 42 TYR HE2 H 1 6.872 0.020 . 3 . . . 404 TYR HE2 . c16596_2kqe 1 431 . 1 1 42 42 TYR CA C 13 59.218 0.100 . 1 . . . 404 TYR CA . c16596_2kqe 1 432 . 1 1 42 42 TYR CB C 13 39.543 0.100 . 1 . . . 404 TYR CB . c16596_2kqe 1 433 . 1 1 42 42 TYR CD1 C 13 133.560 0.100 . 3 . . . 404 TYR CD1 . c16596_2kqe 1 434 . 1 1 42 42 TYR CD2 C 13 133.560 0.100 . 3 . . . 404 TYR CD2 . c16596_2kqe 1 435 . 1 1 42 42 TYR CE1 C 13 117.979 0.100 . 3 . . . 404 TYR CE1 . c16596_2kqe 1 436 . 1 1 42 42 TYR CE2 C 13 117.979 0.100 . 3 . . . 404 TYR CE2 . c16596_2kqe 1 437 . 1 1 42 42 TYR N N 15 122.560 0.100 . 1 . . . 404 TYR N . c16596_2kqe 1 438 . 1 1 43 43 GLY H H 1 7.715 0.020 . 1 . . . 405 GLY H . c16596_2kqe 1 439 . 1 1 43 43 GLY HA2 H 1 3.743 0.020 . 2 . . . 405 GLY HA2 . c16596_2kqe 1 440 . 1 1 43 43 GLY HA3 H 1 3.704 0.020 . 2 . . . 405 GLY HA3 . c16596_2kqe 1 441 . 1 1 43 43 GLY CA C 13 45.100 0.100 . 1 . . . 405 GLY CA . c16596_2kqe 1 442 . 1 1 43 43 GLY N N 15 114.997 0.100 . 1 . . . 405 GLY N . c16596_2kqe 1 443 . 1 1 44 44 GLY H H 1 7.088 0.020 . 1 . . . 406 GLY H . c16596_2kqe 1 444 . 1 1 44 44 GLY HA2 H 1 3.887 0.020 . 1 . . . 406 GLY HA2 . c16596_2kqe 1 445 . 1 1 44 44 GLY HA3 H 1 3.887 0.020 . 1 . . . 406 GLY HA3 . c16596_2kqe 1 446 . 1 1 44 44 GLY CA C 13 45.011 0.100 . 1 . . . 406 GLY CA . c16596_2kqe 1 447 . 1 1 44 44 GLY N N 15 107.744 0.100 . 1 . . . 406 GLY N . c16596_2kqe 1 448 . 1 1 45 45 VAL H H 1 8.064 0.020 . 1 . . . 407 VAL H . c16596_2kqe 1 449 . 1 1 45 45 VAL HA H 1 4.147 0.020 . 1 . . . 407 VAL HA . c16596_2kqe 1 450 . 1 1 45 45 VAL HB H 1 2.084 0.020 . 1 . . . 407 VAL HB . c16596_2kqe 1 451 . 1 1 45 45 VAL HG11 H 1 0.957 0.020 . 2 . . . 407 VAL HG11 . c16596_2kqe 1 452 . 1 1 45 45 VAL HG12 H 1 0.957 0.020 . 2 . . . 407 VAL HG12 . c16596_2kqe 1 453 . 1 1 45 45 VAL HG13 H 1 0.957 0.020 . 2 . . . 407 VAL HG13 . c16596_2kqe 1 454 . 1 1 45 45 VAL HG21 H 1 0.955 0.020 . 2 . . . 407 VAL HG21 . c16596_2kqe 1 455 . 1 1 45 45 VAL HG22 H 1 0.955 0.020 . 2 . . . 407 VAL HG22 . c16596_2kqe 1 456 . 1 1 45 45 VAL HG23 H 1 0.955 0.020 . 2 . . . 407 VAL HG23 . c16596_2kqe 1 457 . 1 1 45 45 VAL CA C 13 62.222 0.100 . 1 . . . 407 VAL CA . c16596_2kqe 1 458 . 1 1 45 45 VAL CB C 13 32.899 0.100 . 1 . . . 407 VAL CB . c16596_2kqe 1 459 . 1 1 45 45 VAL CG1 C 13 21.296 0.100 . 2 . . . 407 VAL CG1 . c16596_2kqe 1 460 . 1 1 45 45 VAL CG2 C 13 20.442 0.100 . 2 . . . 407 VAL CG2 . c16596_2kqe 1 461 . 1 1 45 45 VAL N N 15 119.029 0.100 . 1 . . . 407 VAL N . c16596_2kqe 1 462 . 1 1 46 46 GLN H H 1 8.506 0.020 . 1 . . . 408 GLN H . c16596_2kqe 1 463 . 1 1 46 46 GLN HA H 1 4.433 0.020 . 1 . . . 408 GLN HA . c16596_2kqe 1 464 . 1 1 46 46 GLN HB2 H 1 2.086 0.020 . 2 . . . 408 GLN HB2 . c16596_2kqe 1 465 . 1 1 46 46 GLN HB3 H 1 1.984 0.020 . 2 . . . 408 GLN HB3 . c16596_2kqe 1 466 . 1 1 46 46 GLN HE21 H 1 7.524 0.020 . 1 . . . 408 GLN HE21 . c16596_2kqe 1 467 . 1 1 46 46 GLN HE22 H 1 6.866 0.020 . 1 . . . 408 GLN HE22 . c16596_2kqe 1 468 . 1 1 46 46 GLN HG2 H 1 2.367 0.020 . 1 . . . 408 GLN HG2 . c16596_2kqe 1 469 . 1 1 46 46 GLN HG3 H 1 2.367 0.020 . 1 . . . 408 GLN HG3 . c16596_2kqe 1 470 . 1 1 46 46 GLN CA C 13 55.631 0.100 . 1 . . . 408 GLN CA . c16596_2kqe 1 471 . 1 1 46 46 GLN CB C 13 29.682 0.100 . 1 . . . 408 GLN CB . c16596_2kqe 1 472 . 1 1 46 46 GLN CG C 13 33.819 0.100 . 1 . . . 408 GLN CG . c16596_2kqe 1 473 . 1 1 46 46 GLN N N 15 124.737 0.100 . 1 . . . 408 GLN N . c16596_2kqe 1 474 . 1 1 46 46 GLN NE2 N 15 112.452 0.100 . 1 . . . 408 GLN NE2 . c16596_2kqe 1 475 . 1 1 47 47 ILE H H 1 8.330 0.020 . 1 . . . 409 ILE H . c16596_2kqe 1 476 . 1 1 47 47 ILE HA H 1 4.237 0.020 . 1 . . . 409 ILE HA . c16596_2kqe 1 477 . 1 1 47 47 ILE HB H 1 1.865 0.020 . 1 . . . 409 ILE HB . c16596_2kqe 1 478 . 1 1 47 47 ILE HD11 H 1 0.869 0.020 . 1 . . . 409 ILE HD11 . c16596_2kqe 1 479 . 1 1 47 47 ILE HD12 H 1 0.869 0.020 . 1 . . . 409 ILE HD12 . c16596_2kqe 1 480 . 1 1 47 47 ILE HD13 H 1 0.869 0.020 . 1 . . . 409 ILE HD13 . c16596_2kqe 1 481 . 1 1 47 47 ILE HG12 H 1 1.490 0.020 . 2 . . . 409 ILE HG12 . c16596_2kqe 1 482 . 1 1 47 47 ILE HG13 H 1 1.207 0.020 . 2 . . . 409 ILE HG13 . c16596_2kqe 1 483 . 1 1 47 47 ILE HG21 H 1 0.911 0.020 . 1 . . . 409 ILE HG21 . c16596_2kqe 1 484 . 1 1 47 47 ILE HG22 H 1 0.911 0.020 . 1 . . . 409 ILE HG22 . c16596_2kqe 1 485 . 1 1 47 47 ILE HG23 H 1 0.911 0.020 . 1 . . . 409 ILE HG23 . c16596_2kqe 1 486 . 1 1 47 47 ILE CA C 13 60.885 0.100 . 1 . . . 409 ILE CA . c16596_2kqe 1 487 . 1 1 47 47 ILE CB C 13 38.690 0.100 . 1 . . . 409 ILE CB . c16596_2kqe 1 488 . 1 1 47 47 ILE CD1 C 13 12.784 0.100 . 1 . . . 409 ILE CD1 . c16596_2kqe 1 489 . 1 1 47 47 ILE CG1 C 13 27.221 0.100 . 1 . . . 409 ILE CG1 . c16596_2kqe 1 490 . 1 1 47 47 ILE CG2 C 13 17.515 0.100 . 1 . . . 409 ILE CG2 . c16596_2kqe 1 491 . 1 1 47 47 ILE N N 15 123.582 0.100 . 1 . . . 409 ILE N . c16596_2kqe 1 492 . 1 1 48 48 VAL H H 1 8.298 0.020 . 1 . . . 410 VAL H . c16596_2kqe 1 493 . 1 1 48 48 VAL HA H 1 4.183 0.020 . 1 . . . 410 VAL HA . c16596_2kqe 1 494 . 1 1 48 48 VAL HB H 1 2.087 0.020 . 1 . . . 410 VAL HB . c16596_2kqe 1 495 . 1 1 48 48 VAL HG11 H 1 0.978 0.020 . 2 . . . 410 VAL HG11 . c16596_2kqe 1 496 . 1 1 48 48 VAL HG12 H 1 0.978 0.020 . 2 . . . 410 VAL HG12 . c16596_2kqe 1 497 . 1 1 48 48 VAL HG13 H 1 0.978 0.020 . 2 . . . 410 VAL HG13 . c16596_2kqe 1 498 . 1 1 48 48 VAL HG21 H 1 0.975 0.020 . 2 . . . 410 VAL HG21 . c16596_2kqe 1 499 . 1 1 48 48 VAL HG22 H 1 0.975 0.020 . 2 . . . 410 VAL HG22 . c16596_2kqe 1 500 . 1 1 48 48 VAL HG23 H 1 0.975 0.020 . 2 . . . 410 VAL HG23 . c16596_2kqe 1 501 . 1 1 48 48 VAL CA C 13 62.351 0.100 . 1 . . . 410 VAL CA . c16596_2kqe 1 502 . 1 1 48 48 VAL CB C 13 32.841 0.100 . 1 . . . 410 VAL CB . c16596_2kqe 1 503 . 1 1 48 48 VAL CG1 C 13 21.268 0.100 . 2 . . . 410 VAL CG1 . c16596_2kqe 1 504 . 1 1 48 48 VAL CG2 C 13 20.722 0.100 . 2 . . . 410 VAL CG2 . c16596_2kqe 1 505 . 1 1 48 48 VAL N N 15 125.073 0.100 . 1 . . . 410 VAL N . c16596_2kqe 1 506 . 1 1 49 49 GLY H H 1 8.609 0.020 . 1 . . . 411 GLY H . c16596_2kqe 1 507 . 1 1 49 49 GLY HA2 H 1 4.032 0.020 . 2 . . . 411 GLY HA2 . c16596_2kqe 1 508 . 1 1 49 49 GLY HA3 H 1 4.008 0.020 . 2 . . . 411 GLY HA3 . c16596_2kqe 1 509 . 1 1 49 49 GLY CA C 13 45.281 0.100 . 1 . . . 411 GLY CA . c16596_2kqe 1 510 . 1 1 49 49 GLY N N 15 113.133 0.100 . 1 . . . 411 GLY N . c16596_2kqe 1 511 . 1 1 50 50 GLN H H 1 8.317 0.020 . 1 . . . 412 GLN H . c16596_2kqe 1 512 . 1 1 50 50 GLN HA H 1 4.403 0.020 . 1 . . . 412 GLN HA . c16596_2kqe 1 513 . 1 1 50 50 GLN HB2 H 1 2.149 0.020 . 1 . . . 412 GLN HB2 . c16596_2kqe 1 514 . 1 1 50 50 GLN HB3 H 1 2.149 0.020 . 1 . . . 412 GLN HB3 . c16596_2kqe 1 515 . 1 1 50 50 GLN HE21 H 1 7.606 0.020 . 1 . . . 412 GLN HE21 . c16596_2kqe 1 516 . 1 1 50 50 GLN HE22 H 1 6.888 0.020 . 1 . . . 412 GLN HE22 . c16596_2kqe 1 517 . 1 1 50 50 GLN HG2 H 1 2.367 0.020 . 1 . . . 412 GLN HG2 . c16596_2kqe 1 518 . 1 1 50 50 GLN HG3 H 1 2.367 0.020 . 1 . . . 412 GLN HG3 . c16596_2kqe 1 519 . 1 1 50 50 GLN CA C 13 55.872 0.100 . 1 . . . 412 GLN CA . c16596_2kqe 1 520 . 1 1 50 50 GLN CB C 13 29.678 0.100 . 1 . . . 412 GLN CB . c16596_2kqe 1 521 . 1 1 50 50 GLN CG C 13 33.880 0.100 . 1 . . . 412 GLN CG . c16596_2kqe 1 522 . 1 1 50 50 GLN N N 15 119.972 0.100 . 1 . . . 412 GLN N . c16596_2kqe 1 523 . 1 1 50 50 GLN NE2 N 15 112.535 0.100 . 1 . . . 412 GLN NE2 . c16596_2kqe 1 524 . 1 1 51 51 ASP H H 1 8.533 0.020 . 1 . . . 413 ASP H . c16596_2kqe 1 525 . 1 1 51 51 ASP HA H 1 4.646 0.020 . 1 . . . 413 ASP HA . c16596_2kqe 1 526 . 1 1 51 51 ASP HB2 H 1 2.774 0.020 . 2 . . . 413 ASP HB2 . c16596_2kqe 1 527 . 1 1 51 51 ASP HB3 H 1 2.644 0.020 . 2 . . . 413 ASP HB3 . c16596_2kqe 1 528 . 1 1 51 51 ASP CA C 13 54.459 0.100 . 1 . . . 413 ASP CA . c16596_2kqe 1 529 . 1 1 51 51 ASP CB C 13 41.215 0.100 . 1 . . . 413 ASP CB . c16596_2kqe 1 530 . 1 1 51 51 ASP N N 15 121.378 0.100 . 1 . . . 413 ASP N . c16596_2kqe 1 531 . 1 1 52 52 GLU H H 1 8.457 0.020 . 1 . . . 414 GLU H . c16596_2kqe 1 532 . 1 1 52 52 GLU HA H 1 4.392 0.020 . 1 . . . 414 GLU HA . c16596_2kqe 1 533 . 1 1 52 52 GLU HB2 H 1 2.138 0.020 . 2 . . . 414 GLU HB2 . c16596_2kqe 1 534 . 1 1 52 52 GLU HB3 H 1 1.987 0.020 . 2 . . . 414 GLU HB3 . c16596_2kqe 1 535 . 1 1 52 52 GLU HG2 H 1 2.285 0.020 . 1 . . . 414 GLU HG2 . c16596_2kqe 1 536 . 1 1 52 52 GLU HG3 H 1 2.285 0.020 . 1 . . . 414 GLU HG3 . c16596_2kqe 1 537 . 1 1 52 52 GLU CA C 13 56.700 0.100 . 1 . . . 414 GLU CA . c16596_2kqe 1 538 . 1 1 52 52 GLU CB C 13 30.238 0.100 . 1 . . . 414 GLU CB . c16596_2kqe 1 539 . 1 1 52 52 GLU CG C 13 36.325 0.100 . 1 . . . 414 GLU CG . c16596_2kqe 1 540 . 1 1 52 52 GLU N N 15 121.491 0.100 . 1 . . . 414 GLU N . c16596_2kqe 1 541 . 1 1 53 53 THR H H 1 8.263 0.020 . 1 . . . 415 THR H . c16596_2kqe 1 542 . 1 1 53 53 THR HA H 1 4.306 0.020 . 1 . . . 415 THR HA . c16596_2kqe 1 543 . 1 1 53 53 THR HB H 1 4.212 0.020 . 1 . . . 415 THR HB . c16596_2kqe 1 544 . 1 1 53 53 THR HG21 H 1 1.204 0.020 . 1 . . . 415 THR HG21 . c16596_2kqe 1 545 . 1 1 53 53 THR HG22 H 1 1.204 0.020 . 1 . . . 415 THR HG22 . c16596_2kqe 1 546 . 1 1 53 53 THR HG23 H 1 1.204 0.020 . 1 . . . 415 THR HG23 . c16596_2kqe 1 547 . 1 1 53 53 THR CA C 13 62.113 0.100 . 1 . . . 415 THR CA . c16596_2kqe 1 548 . 1 1 53 53 THR CB C 13 69.912 0.100 . 1 . . . 415 THR CB . c16596_2kqe 1 549 . 1 1 53 53 THR CG2 C 13 21.731 0.100 . 1 . . . 415 THR CG2 . c16596_2kqe 1 550 . 1 1 53 53 THR N N 15 114.960 0.100 . 1 . . . 415 THR N . c16596_2kqe 1 551 . 1 1 54 54 ASP H H 1 8.279 0.020 . 1 . . . 416 ASP H . c16596_2kqe 1 552 . 1 1 54 54 ASP HA H 1 4.661 0.020 . 1 . . . 416 ASP HA . c16596_2kqe 1 553 . 1 1 54 54 ASP HB2 H 1 2.861 0.020 . 2 . . . 416 ASP HB2 . c16596_2kqe 1 554 . 1 1 54 54 ASP HB3 H 1 2.627 0.020 . 2 . . . 416 ASP HB3 . c16596_2kqe 1 555 . 1 1 54 54 ASP CA C 13 53.775 0.100 . 1 . . . 416 ASP CA . c16596_2kqe 1 556 . 1 1 54 54 ASP CB C 13 41.188 0.100 . 1 . . . 416 ASP CB . c16596_2kqe 1 557 . 1 1 54 54 ASP N N 15 123.335 0.100 . 1 . . . 416 ASP N . c16596_2kqe 1 558 . 1 1 55 55 ASP H H 1 8.428 0.020 . 1 . . . 417 ASP H . c16596_2kqe 1 559 . 1 1 55 55 ASP HA H 1 4.696 0.020 . 1 . . . 417 ASP HA . c16596_2kqe 1 560 . 1 1 55 55 ASP CA C 13 53.549 0.100 . 1 . . . 417 ASP CA . c16596_2kqe 1 561 . 1 1 55 55 ASP CB C 13 40.904 0.100 . 1 . . . 417 ASP CB . c16596_2kqe 1 562 . 1 1 55 55 ASP N N 15 123.870 0.100 . 1 . . . 417 ASP N . c16596_2kqe 1 563 . 1 1 56 56 ARG H H 1 7.891 0.020 . 1 . . . 418 ARG H . c16596_2kqe 1 564 . 1 1 56 56 ARG HA H 1 4.413 0.020 . 1 . . . 418 ARG HA . c16596_2kqe 1 565 . 1 1 56 56 ARG HB2 H 1 1.689 0.020 . 2 . . . 418 ARG HB2 . c16596_2kqe 1 566 . 1 1 56 56 ARG HB3 H 1 1.667 0.020 . 2 . . . 418 ARG HB3 . c16596_2kqe 1 567 . 1 1 56 56 ARG HD2 H 1 3.276 0.020 . 2 . . . 418 ARG HD2 . c16596_2kqe 1 568 . 1 1 56 56 ARG HD3 H 1 2.796 0.020 . 2 . . . 418 ARG HD3 . c16596_2kqe 1 569 . 1 1 56 56 ARG HG2 H 1 1.796 0.020 . 2 . . . 418 ARG HG2 . c16596_2kqe 1 570 . 1 1 56 56 ARG HG3 H 1 1.672 0.020 . 2 . . . 418 ARG HG3 . c16596_2kqe 1 571 . 1 1 56 56 ARG CA C 13 55.001 0.100 . 1 . . . 418 ARG CA . c16596_2kqe 1 572 . 1 1 56 56 ARG CB C 13 30.612 0.100 . 1 . . . 418 ARG CB . c16596_2kqe 1 573 . 1 1 56 56 ARG CD C 13 44.073 0.100 . 1 . . . 418 ARG CD . c16596_2kqe 1 574 . 1 1 56 56 ARG CG C 13 26.348 0.100 . 1 . . . 418 ARG CG . c16596_2kqe 1 575 . 1 1 56 56 ARG N N 15 121.518 0.100 . 1 . . . 418 ARG N . c16596_2kqe 1 576 . 1 1 57 57 PRO HA H 1 4.535 0.020 . 1 . . . 419 PRO HA . c16596_2kqe 1 577 . 1 1 57 57 PRO HB2 H 1 2.340 0.020 . 2 . . . 419 PRO HB2 . c16596_2kqe 1 578 . 1 1 57 57 PRO HB3 H 1 1.982 0.020 . 2 . . . 419 PRO HB3 . c16596_2kqe 1 579 . 1 1 57 57 PRO HD2 H 1 3.754 0.020 . 2 . . . 419 PRO HD2 . c16596_2kqe 1 580 . 1 1 57 57 PRO HD3 H 1 3.687 0.020 . 2 . . . 419 PRO HD3 . c16596_2kqe 1 581 . 1 1 57 57 PRO HG2 H 1 1.853 0.020 . 1 . . . 419 PRO HG2 . c16596_2kqe 1 582 . 1 1 57 57 PRO HG3 H 1 1.853 0.020 . 1 . . . 419 PRO HG3 . c16596_2kqe 1 583 . 1 1 57 57 PRO CA C 13 61.998 0.100 . 1 . . . 419 PRO CA . c16596_2kqe 1 584 . 1 1 57 57 PRO CB C 13 31.823 0.100 . 1 . . . 419 PRO CB . c16596_2kqe 1 585 . 1 1 57 57 PRO CD C 13 50.164 0.100 . 1 . . . 419 PRO CD . c16596_2kqe 1 586 . 1 1 57 57 PRO CG C 13 27.106 0.100 . 1 . . . 419 PRO CG . c16596_2kqe 1 587 . 1 1 58 58 GLU H H 1 8.597 0.020 . 1 . . . 420 GLU H . c16596_2kqe 1 588 . 1 1 58 58 GLU HA H 1 4.225 0.020 . 1 . . . 420 GLU HA . c16596_2kqe 1 589 . 1 1 58 58 GLU HB2 H 1 1.882 0.020 . 1 . . . 420 GLU HB2 . c16596_2kqe 1 590 . 1 1 58 58 GLU HB3 H 1 1.882 0.020 . 1 . . . 420 GLU HB3 . c16596_2kqe 1 591 . 1 1 58 58 GLU HG2 H 1 2.233 0.020 . 2 . . . 420 GLU HG2 . c16596_2kqe 1 592 . 1 1 58 58 GLU HG3 H 1 2.191 0.020 . 2 . . . 420 GLU HG3 . c16596_2kqe 1 593 . 1 1 58 58 GLU CA C 13 55.891 0.100 . 1 . . . 420 GLU CA . c16596_2kqe 1 594 . 1 1 58 58 GLU CB C 13 30.367 0.100 . 1 . . . 420 GLU CB . c16596_2kqe 1 595 . 1 1 58 58 GLU CG C 13 36.356 0.100 . 1 . . . 420 GLU CG . c16596_2kqe 1 596 . 1 1 58 58 GLU N N 15 120.636 0.100 . 1 . . . 420 GLU N . c16596_2kqe 1 597 . 1 1 59 59 CYS H H 1 8.303 0.020 . 1 . . . 421 CYS H . c16596_2kqe 1 598 . 1 1 59 59 CYS HA H 1 4.099 0.020 . 1 . . . 421 CYS HA . c16596_2kqe 1 599 . 1 1 59 59 CYS HB2 H 1 2.406 0.020 . 2 . . . 421 CYS HB2 . c16596_2kqe 1 600 . 1 1 59 59 CYS HB3 H 1 1.789 0.020 . 2 . . . 421 CYS HB3 . c16596_2kqe 1 601 . 1 1 59 59 CYS CA C 13 57.311 0.100 . 1 . . . 421 CYS CA . c16596_2kqe 1 602 . 1 1 59 59 CYS CB C 13 29.319 0.100 . 1 . . . 421 CYS CB . c16596_2kqe 1 603 . 1 1 59 59 CYS N N 15 127.139 0.100 . 1 . . . 421 CYS N . c16596_2kqe 1 604 . 1 1 60 60 PRO HA H 1 4.355 0.020 . 1 . . . 422 PRO HA . c16596_2kqe 1 605 . 1 1 60 60 PRO HB2 H 1 2.146 0.020 . 2 . . . 422 PRO HB2 . c16596_2kqe 1 606 . 1 1 60 60 PRO HB3 H 1 1.521 0.020 . 2 . . . 422 PRO HB3 . c16596_2kqe 1 607 . 1 1 60 60 PRO HD2 H 1 3.571 0.020 . 2 . . . 422 PRO HD2 . c16596_2kqe 1 608 . 1 1 60 60 PRO HD3 H 1 3.452 0.020 . 2 . . . 422 PRO HD3 . c16596_2kqe 1 609 . 1 1 60 60 PRO HG2 H 1 1.768 0.020 . 2 . . . 422 PRO HG2 . c16596_2kqe 1 610 . 1 1 60 60 PRO HG3 H 1 1.203 0.020 . 2 . . . 422 PRO HG3 . c16596_2kqe 1 611 . 1 1 60 60 PRO CA C 13 64.044 0.100 . 1 . . . 422 PRO CA . c16596_2kqe 1 612 . 1 1 60 60 PRO CB C 13 32.088 0.100 . 1 . . . 422 PRO CB . c16596_2kqe 1 613 . 1 1 60 60 PRO CD C 13 51.580 0.100 . 1 . . . 422 PRO CD . c16596_2kqe 1 614 . 1 1 60 60 PRO CG C 13 26.295 0.100 . 1 . . . 422 PRO CG . c16596_2kqe 1 615 . 1 1 61 61 TYR H H 1 8.640 0.020 . 1 . . . 423 TYR H . c16596_2kqe 1 616 . 1 1 61 61 TYR HA H 1 4.545 0.020 . 1 . . . 423 TYR HA . c16596_2kqe 1 617 . 1 1 61 61 TYR HB2 H 1 3.145 0.020 . 2 . . . 423 TYR HB2 . c16596_2kqe 1 618 . 1 1 61 61 TYR HB3 H 1 2.967 0.020 . 2 . . . 423 TYR HB3 . c16596_2kqe 1 619 . 1 1 61 61 TYR HD1 H 1 7.177 0.020 . 3 . . . 423 TYR HD1 . c16596_2kqe 1 620 . 1 1 61 61 TYR HD2 H 1 7.177 0.020 . 3 . . . 423 TYR HD2 . c16596_2kqe 1 621 . 1 1 61 61 TYR HE1 H 1 6.768 0.020 . 3 . . . 423 TYR HE1 . c16596_2kqe 1 622 . 1 1 61 61 TYR HE2 H 1 6.768 0.020 . 3 . . . 423 TYR HE2 . c16596_2kqe 1 623 . 1 1 61 61 TYR CA C 13 58.527 0.100 . 1 . . . 423 TYR CA . c16596_2kqe 1 624 . 1 1 61 61 TYR CB C 13 37.549 0.100 . 1 . . . 423 TYR CB . c16596_2kqe 1 625 . 1 1 61 61 TYR CD1 C 13 133.004 0.100 . 3 . . . 423 TYR CD1 . c16596_2kqe 1 626 . 1 1 61 61 TYR CD2 C 13 133.004 0.100 . 3 . . . 423 TYR CD2 . c16596_2kqe 1 627 . 1 1 61 61 TYR CE1 C 13 118.119 0.100 . 3 . . . 423 TYR CE1 . c16596_2kqe 1 628 . 1 1 61 61 TYR CE2 C 13 118.119 0.100 . 3 . . . 423 TYR CE2 . c16596_2kqe 1 629 . 1 1 61 61 TYR N N 15 119.569 0.100 . 1 . . . 423 TYR N . c16596_2kqe 1 630 . 1 1 62 62 GLY H H 1 7.606 0.020 . 1 . . . 424 GLY H . c16596_2kqe 1 631 . 1 1 62 62 GLY HA2 H 1 4.021 0.020 . 2 . . . 424 GLY HA2 . c16596_2kqe 1 632 . 1 1 62 62 GLY HA3 H 1 4.379 0.020 . 2 . . . 424 GLY HA3 . c16596_2kqe 1 633 . 1 1 62 62 GLY CA C 13 45.770 0.100 . 1 . . . 424 GLY CA . c16596_2kqe 1 634 . 1 1 62 62 GLY N N 15 107.733 0.100 . 1 . . . 424 GLY N . c16596_2kqe 1 635 . 1 1 63 63 PRO HA H 1 4.560 0.020 . 1 . . . 425 PRO HA . c16596_2kqe 1 636 . 1 1 63 63 PRO HB2 H 1 2.459 0.020 . 1 . . . 425 PRO HB2 . c16596_2kqe 1 637 . 1 1 63 63 PRO HB3 H 1 2.459 0.020 . 1 . . . 425 PRO HB3 . c16596_2kqe 1 638 . 1 1 63 63 PRO HD2 H 1 3.977 0.020 . 2 . . . 425 PRO HD2 . c16596_2kqe 1 639 . 1 1 63 63 PRO HD3 H 1 3.763 0.020 . 2 . . . 425 PRO HD3 . c16596_2kqe 1 640 . 1 1 63 63 PRO HG2 H 1 2.109 0.020 . 1 . . . 425 PRO HG2 . c16596_2kqe 1 641 . 1 1 63 63 PRO HG3 H 1 2.109 0.020 . 1 . . . 425 PRO HG3 . c16596_2kqe 1 642 . 1 1 63 63 PRO CA C 13 64.402 0.100 . 1 . . . 425 PRO CA . c16596_2kqe 1 643 . 1 1 63 63 PRO CB C 13 32.223 0.100 . 1 . . . 425 PRO CB . c16596_2kqe 1 644 . 1 1 63 63 PRO CD C 13 50.654 0.100 . 1 . . . 425 PRO CD . c16596_2kqe 1 645 . 1 1 63 63 PRO CG C 13 27.201 0.100 . 1 . . . 425 PRO CG . c16596_2kqe 1 646 . 1 1 64 64 SER H H 1 8.072 0.020 . 1 . . . 426 SER H . c16596_2kqe 1 647 . 1 1 64 64 SER HA H 1 4.566 0.020 . 1 . . . 426 SER HA . c16596_2kqe 1 648 . 1 1 64 64 SER HB2 H 1 4.038 0.020 . 1 . . . 426 SER HB2 . c16596_2kqe 1 649 . 1 1 64 64 SER HB3 H 1 4.038 0.020 . 1 . . . 426 SER HB3 . c16596_2kqe 1 650 . 1 1 64 64 SER CA C 13 57.738 0.100 . 1 . . . 426 SER CA . c16596_2kqe 1 651 . 1 1 64 64 SER CB C 13 63.162 0.100 . 1 . . . 426 SER CB . c16596_2kqe 1 652 . 1 1 64 64 SER N N 15 112.851 0.100 . 1 . . . 426 SER N . c16596_2kqe 1 653 . 1 1 65 65 CYS H H 1 7.606 0.020 . 1 . . . 427 CYS H . c16596_2kqe 1 654 . 1 1 65 65 CYS HA H 1 3.724 0.020 . 1 . . . 427 CYS HA . c16596_2kqe 1 655 . 1 1 65 65 CYS HB2 H 1 3.338 0.020 . 2 . . . 427 CYS HB2 . c16596_2kqe 1 656 . 1 1 65 65 CYS HB3 H 1 3.058 0.020 . 2 . . . 427 CYS HB3 . c16596_2kqe 1 657 . 1 1 65 65 CYS CA C 13 61.712 0.100 . 1 . . . 427 CYS CA . c16596_2kqe 1 658 . 1 1 65 65 CYS CB C 13 29.798 0.100 . 1 . . . 427 CYS CB . c16596_2kqe 1 659 . 1 1 65 65 CYS N N 15 123.514 0.100 . 1 . . . 427 CYS N . c16596_2kqe 1 660 . 1 1 66 66 TYR H H 1 7.686 0.020 . 1 . . . 428 TYR H . c16596_2kqe 1 661 . 1 1 66 66 TYR HA H 1 4.782 0.020 . 1 . . . 428 TYR HA . c16596_2kqe 1 662 . 1 1 66 66 TYR HB2 H 1 3.128 0.020 . 2 . . . 428 TYR HB2 . c16596_2kqe 1 663 . 1 1 66 66 TYR HB3 H 1 2.989 0.020 . 2 . . . 428 TYR HB3 . c16596_2kqe 1 664 . 1 1 66 66 TYR HD1 H 1 7.071 0.020 . 3 . . . 428 TYR HD1 . c16596_2kqe 1 665 . 1 1 66 66 TYR HD2 H 1 7.071 0.020 . 3 . . . 428 TYR HD2 . c16596_2kqe 1 666 . 1 1 66 66 TYR HE1 H 1 6.737 0.020 . 3 . . . 428 TYR HE1 . c16596_2kqe 1 667 . 1 1 66 66 TYR HE2 H 1 6.737 0.020 . 3 . . . 428 TYR HE2 . c16596_2kqe 1 668 . 1 1 66 66 TYR CA C 13 56.505 0.100 . 1 . . . 428 TYR CA . c16596_2kqe 1 669 . 1 1 66 66 TYR CB C 13 38.153 0.100 . 1 . . . 428 TYR CB . c16596_2kqe 1 670 . 1 1 66 66 TYR CD1 C 13 133.560 0.100 . 3 . . . 428 TYR CD1 . c16596_2kqe 1 671 . 1 1 66 66 TYR CD2 C 13 133.560 0.100 . 3 . . . 428 TYR CD2 . c16596_2kqe 1 672 . 1 1 66 66 TYR CE1 C 13 118.267 0.100 . 3 . . . 428 TYR CE1 . c16596_2kqe 1 673 . 1 1 66 66 TYR CE2 C 13 118.267 0.100 . 3 . . . 428 TYR CE2 . c16596_2kqe 1 674 . 1 1 66 66 TYR N N 15 126.466 0.100 . 1 . . . 428 TYR N . c16596_2kqe 1 675 . 1 1 67 67 ARG H H 1 7.969 0.020 . 1 . . . 429 ARG H . c16596_2kqe 1 676 . 1 1 67 67 ARG HA H 1 4.012 0.020 . 1 . . . 429 ARG HA . c16596_2kqe 1 677 . 1 1 67 67 ARG HB2 H 1 1.508 0.020 . 2 . . . 429 ARG HB2 . c16596_2kqe 1 678 . 1 1 67 67 ARG HB3 H 1 1.203 0.020 . 2 . . . 429 ARG HB3 . c16596_2kqe 1 679 . 1 1 67 67 ARG HD2 H 1 2.466 0.020 . 2 . . . 429 ARG HD2 . c16596_2kqe 1 680 . 1 1 67 67 ARG HD3 H 1 2.373 0.020 . 2 . . . 429 ARG HD3 . c16596_2kqe 1 681 . 1 1 67 67 ARG HG2 H 1 1.194 0.020 . 2 . . . 429 ARG HG2 . c16596_2kqe 1 682 . 1 1 67 67 ARG HG3 H 1 1.009 0.020 . 2 . . . 429 ARG HG3 . c16596_2kqe 1 683 . 1 1 67 67 ARG CA C 13 57.177 0.100 . 1 . . . 429 ARG CA . c16596_2kqe 1 684 . 1 1 67 67 ARG CB C 13 29.875 0.100 . 1 . . . 429 ARG CB . c16596_2kqe 1 685 . 1 1 67 67 ARG CD C 13 42.234 0.100 . 1 . . . 429 ARG CD . c16596_2kqe 1 686 . 1 1 67 67 ARG CG C 13 26.779 0.100 . 1 . . . 429 ARG CG . c16596_2kqe 1 687 . 1 1 67 67 ARG N N 15 123.918 0.100 . 1 . . . 429 ARG N . c16596_2kqe 1 688 . 1 1 70 70 PRO HA H 1 4.254 0.020 . 1 . . . 432 PRO HA . c16596_2kqe 1 689 . 1 1 70 70 PRO HB2 H 1 2.470 0.020 . 1 . . . 432 PRO HB2 . c16596_2kqe 1 690 . 1 1 70 70 PRO HB3 H 1 2.470 0.020 . 1 . . . 432 PRO HB3 . c16596_2kqe 1 691 . 1 1 70 70 PRO HD2 H 1 4.107 0.020 . 2 . . . 432 PRO HD2 . c16596_2kqe 1 692 . 1 1 70 70 PRO HD3 H 1 3.945 0.020 . 2 . . . 432 PRO HD3 . c16596_2kqe 1 693 . 1 1 70 70 PRO HG2 H 1 2.219 0.020 . 2 . . . 432 PRO HG2 . c16596_2kqe 1 694 . 1 1 70 70 PRO HG3 H 1 2.104 0.020 . 2 . . . 432 PRO HG3 . c16596_2kqe 1 695 . 1 1 70 70 PRO CA C 13 65.569 0.100 . 1 . . . 432 PRO CA . c16596_2kqe 1 696 . 1 1 70 70 PRO CB C 13 32.244 0.100 . 1 . . . 432 PRO CB . c16596_2kqe 1 697 . 1 1 70 70 PRO CD C 13 51.419 0.100 . 1 . . . 432 PRO CD . c16596_2kqe 1 698 . 1 1 70 70 PRO CG C 13 27.639 0.100 . 1 . . . 432 PRO CG . c16596_2kqe 1 699 . 1 1 71 71 GLN H H 1 8.407 0.020 . 1 . . . 433 GLN H . c16596_2kqe 1 700 . 1 1 71 71 GLN HA H 1 4.107 0.020 . 1 . . . 433 GLN HA . c16596_2kqe 1 701 . 1 1 71 71 GLN HB2 H 1 2.218 0.020 . 2 . . . 433 GLN HB2 . c16596_2kqe 1 702 . 1 1 71 71 GLN HB3 H 1 2.118 0.020 . 2 . . . 433 GLN HB3 . c16596_2kqe 1 703 . 1 1 71 71 GLN HE21 H 1 7.801 0.020 . 1 . . . 433 GLN HE21 . c16596_2kqe 1 704 . 1 1 71 71 GLN HE22 H 1 6.897 0.020 . 1 . . . 433 GLN HE22 . c16596_2kqe 1 705 . 1 1 71 71 GLN HG2 H 1 2.499 0.020 . 1 . . . 433 GLN HG2 . c16596_2kqe 1 706 . 1 1 71 71 GLN HG3 H 1 2.499 0.020 . 1 . . . 433 GLN HG3 . c16596_2kqe 1 707 . 1 1 71 71 GLN CA C 13 58.510 0.100 . 1 . . . 433 GLN CA . c16596_2kqe 1 708 . 1 1 71 71 GLN CB C 13 27.706 0.100 . 1 . . . 433 GLN CB . c16596_2kqe 1 709 . 1 1 71 71 GLN CG C 13 33.702 0.100 . 1 . . . 433 GLN CG . c16596_2kqe 1 710 . 1 1 71 71 GLN N N 15 116.801 0.100 . 1 . . . 433 GLN N . c16596_2kqe 1 711 . 1 1 71 71 GLN NE2 N 15 112.339 0.100 . 1 . . . 433 GLN NE2 . c16596_2kqe 1 712 . 1 1 72 72 HIS H H 1 8.002 0.020 . 1 . . . 434 HIS H . c16596_2kqe 1 713 . 1 1 72 72 HIS HA H 1 4.575 0.020 . 1 . . . 434 HIS HA . c16596_2kqe 1 714 . 1 1 72 72 HIS HB2 H 1 3.398 0.020 . 2 . . . 434 HIS HB2 . c16596_2kqe 1 715 . 1 1 72 72 HIS HB3 H 1 3.389 0.020 . 2 . . . 434 HIS HB3 . c16596_2kqe 1 716 . 1 1 72 72 HIS HD2 H 1 6.961 0.020 . 1 . . . 434 HIS HD2 . c16596_2kqe 1 717 . 1 1 72 72 HIS HE1 H 1 7.660 0.020 . 1 . . . 434 HIS HE1 . c16596_2kqe 1 718 . 1 1 72 72 HIS CA C 13 60.168 0.100 . 1 . . . 434 HIS CA . c16596_2kqe 1 719 . 1 1 72 72 HIS CB C 13 28.212 0.100 . 1 . . . 434 HIS CB . c16596_2kqe 1 720 . 1 1 72 72 HIS CD2 C 13 127.471 0.100 . 1 . . . 434 HIS CD2 . c16596_2kqe 1 721 . 1 1 72 72 HIS CE1 C 13 139.924 0.100 . 1 . . . 434 HIS CE1 . c16596_2kqe 1 722 . 1 1 72 72 HIS N N 15 119.182 0.100 . 1 . . . 434 HIS N . c16596_2kqe 1 723 . 1 1 73 73 LYS H H 1 7.260 0.020 . 1 . . . 435 LYS H . c16596_2kqe 1 724 . 1 1 73 73 LYS HA H 1 4.166 0.020 . 1 . . . 435 LYS HA . c16596_2kqe 1 725 . 1 1 73 73 LYS HB2 H 1 2.028 0.020 . 2 . . . 435 LYS HB2 . c16596_2kqe 1 726 . 1 1 73 73 LYS HB3 H 1 1.889 0.020 . 2 . . . 435 LYS HB3 . c16596_2kqe 1 727 . 1 1 73 73 LYS HD2 H 1 1.614 0.020 . 1 . . . 435 LYS HD2 . c16596_2kqe 1 728 . 1 1 73 73 LYS HD3 H 1 1.614 0.020 . 1 . . . 435 LYS HD3 . c16596_2kqe 1 729 . 1 1 73 73 LYS HE2 H 1 2.899 0.020 . 1 . . . 435 LYS HE2 . c16596_2kqe 1 730 . 1 1 73 73 LYS HE3 H 1 2.899 0.020 . 1 . . . 435 LYS HE3 . c16596_2kqe 1 731 . 1 1 73 73 LYS HG2 H 1 1.586 0.020 . 2 . . . 435 LYS HG2 . c16596_2kqe 1 732 . 1 1 73 73 LYS HG3 H 1 1.288 0.020 . 2 . . . 435 LYS HG3 . c16596_2kqe 1 733 . 1 1 73 73 LYS CA C 13 58.305 0.100 . 1 . . . 435 LYS CA . c16596_2kqe 1 734 . 1 1 73 73 LYS CB C 13 32.328 0.100 . 1 . . . 435 LYS CB . c16596_2kqe 1 735 . 1 1 73 73 LYS CD C 13 29.149 0.100 . 1 . . . 435 LYS CD . c16596_2kqe 1 736 . 1 1 73 73 LYS CE C 13 41.856 0.100 . 1 . . . 435 LYS CE . c16596_2kqe 1 737 . 1 1 73 73 LYS CG C 13 25.768 0.100 . 1 . . . 435 LYS CG . c16596_2kqe 1 738 . 1 1 73 73 LYS N N 15 113.956 0.100 . 1 . . . 435 LYS N . c16596_2kqe 1 739 . 1 1 74 74 ILE H H 1 7.417 0.020 . 1 . . . 436 ILE H . c16596_2kqe 1 740 . 1 1 74 74 ILE HA H 1 3.996 0.020 . 1 . . . 436 ILE HA . c16596_2kqe 1 741 . 1 1 74 74 ILE HB H 1 1.998 0.020 . 1 . . . 436 ILE HB . c16596_2kqe 1 742 . 1 1 74 74 ILE HD11 H 1 0.867 0.020 . 1 . . . 436 ILE HD11 . c16596_2kqe 1 743 . 1 1 74 74 ILE HD12 H 1 0.867 0.020 . 1 . . . 436 ILE HD12 . c16596_2kqe 1 744 . 1 1 74 74 ILE HD13 H 1 0.867 0.020 . 1 . . . 436 ILE HD13 . c16596_2kqe 1 745 . 1 1 74 74 ILE HG12 H 1 1.636 0.020 . 2 . . . 436 ILE HG12 . c16596_2kqe 1 746 . 1 1 74 74 ILE HG13 H 1 1.253 0.020 . 2 . . . 436 ILE HG13 . c16596_2kqe 1 747 . 1 1 74 74 ILE HG21 H 1 0.929 0.020 . 1 . . . 436 ILE HG21 . c16596_2kqe 1 748 . 1 1 74 74 ILE HG22 H 1 0.929 0.020 . 1 . . . 436 ILE HG22 . c16596_2kqe 1 749 . 1 1 74 74 ILE HG23 H 1 0.929 0.020 . 1 . . . 436 ILE HG23 . c16596_2kqe 1 750 . 1 1 74 74 ILE CA C 13 62.746 0.100 . 1 . . . 436 ILE CA . c16596_2kqe 1 751 . 1 1 74 74 ILE CB C 13 38.648 0.100 . 1 . . . 436 ILE CB . c16596_2kqe 1 752 . 1 1 74 74 ILE CD1 C 13 12.811 0.100 . 1 . . . 436 ILE CD1 . c16596_2kqe 1 753 . 1 1 74 74 ILE CG1 C 13 28.803 0.100 . 1 . . . 436 ILE CG1 . c16596_2kqe 1 754 . 1 1 74 74 ILE CG2 C 13 17.474 0.100 . 1 . . . 436 ILE CG2 . c16596_2kqe 1 755 . 1 1 74 74 ILE N N 15 117.362 0.100 . 1 . . . 436 ILE N . c16596_2kqe 1 756 . 1 1 75 75 GLU H H 1 7.787 0.020 . 1 . . . 437 GLU H . c16596_2kqe 1 757 . 1 1 75 75 GLU HA H 1 3.881 0.020 . 1 . . . 437 GLU HA . c16596_2kqe 1 758 . 1 1 75 75 GLU HB2 H 1 1.997 0.020 . 2 . . . 437 GLU HB2 . c16596_2kqe 1 759 . 1 1 75 75 GLU HB3 H 1 1.729 0.020 . 2 . . . 437 GLU HB3 . c16596_2kqe 1 760 . 1 1 75 75 GLU HG2 H 1 2.349 0.020 . 2 . . . 437 GLU HG2 . c16596_2kqe 1 761 . 1 1 75 75 GLU HG3 H 1 1.965 0.020 . 2 . . . 437 GLU HG3 . c16596_2kqe 1 762 . 1 1 75 75 GLU CA C 13 58.513 0.100 . 1 . . . 437 GLU CA . c16596_2kqe 1 763 . 1 1 75 75 GLU CB C 13 31.109 0.100 . 1 . . . 437 GLU CB . c16596_2kqe 1 764 . 1 1 75 75 GLU CG C 13 36.444 0.100 . 1 . . . 437 GLU CG . c16596_2kqe 1 765 . 1 1 75 75 GLU N N 15 120.444 0.100 . 1 . . . 437 GLU N . c16596_2kqe 1 766 . 1 1 76 76 TYR H H 1 7.383 0.020 . 1 . . . 438 TYR H . c16596_2kqe 1 767 . 1 1 76 76 TYR HA H 1 4.882 0.020 . 1 . . . 438 TYR HA . c16596_2kqe 1 768 . 1 1 76 76 TYR HB2 H 1 2.409 0.020 . 2 . . . 438 TYR HB2 . c16596_2kqe 1 769 . 1 1 76 76 TYR HB3 H 1 2.062 0.020 . 2 . . . 438 TYR HB3 . c16596_2kqe 1 770 . 1 1 76 76 TYR HD1 H 1 6.905 0.020 . 3 . . . 438 TYR HD1 . c16596_2kqe 1 771 . 1 1 76 76 TYR HD2 H 1 6.905 0.020 . 3 . . . 438 TYR HD2 . c16596_2kqe 1 772 . 1 1 76 76 TYR HE1 H 1 6.907 0.020 . 3 . . . 438 TYR HE1 . c16596_2kqe 1 773 . 1 1 76 76 TYR HE2 H 1 6.907 0.020 . 3 . . . 438 TYR HE2 . c16596_2kqe 1 774 . 1 1 76 76 TYR CA C 13 56.405 0.100 . 1 . . . 438 TYR CA . c16596_2kqe 1 775 . 1 1 76 76 TYR CB C 13 41.759 0.100 . 1 . . . 438 TYR CB . c16596_2kqe 1 776 . 1 1 76 76 TYR CD1 C 13 133.671 0.100 . 3 . . . 438 TYR CD1 . c16596_2kqe 1 777 . 1 1 76 76 TYR CD2 C 13 133.671 0.100 . 3 . . . 438 TYR CD2 . c16596_2kqe 1 778 . 1 1 76 76 TYR CE1 C 13 117.854 0.100 . 3 . . . 438 TYR CE1 . c16596_2kqe 1 779 . 1 1 76 76 TYR CE2 C 13 117.854 0.100 . 3 . . . 438 TYR CE2 . c16596_2kqe 1 780 . 1 1 76 76 TYR N N 15 112.626 0.100 . 1 . . . 438 TYR N . c16596_2kqe 1 781 . 1 1 77 77 ARG H H 1 8.474 0.020 . 1 . . . 439 ARG H . c16596_2kqe 1 782 . 1 1 77 77 ARG HA H 1 4.497 0.020 . 1 . . . 439 ARG HA . c16596_2kqe 1 783 . 1 1 77 77 ARG HB2 H 1 1.622 0.020 . 1 . . . 439 ARG HB2 . c16596_2kqe 1 784 . 1 1 77 77 ARG HB3 H 1 1.622 0.020 . 1 . . . 439 ARG HB3 . c16596_2kqe 1 785 . 1 1 77 77 ARG HD2 H 1 3.248 0.020 . 2 . . . 439 ARG HD2 . c16596_2kqe 1 786 . 1 1 77 77 ARG HD3 H 1 3.156 0.020 . 2 . . . 439 ARG HD3 . c16596_2kqe 1 787 . 1 1 77 77 ARG HG2 H 1 1.492 0.020 . 1 . . . 439 ARG HG2 . c16596_2kqe 1 788 . 1 1 77 77 ARG HG3 H 1 1.492 0.020 . 1 . . . 439 ARG HG3 . c16596_2kqe 1 789 . 1 1 77 77 ARG CA C 13 55.405 0.100 . 1 . . . 439 ARG CA . c16596_2kqe 1 790 . 1 1 77 77 ARG CB C 13 32.042 0.100 . 1 . . . 439 ARG CB . c16596_2kqe 1 791 . 1 1 77 77 ARG CD C 13 43.742 0.100 . 1 . . . 439 ARG CD . c16596_2kqe 1 792 . 1 1 77 77 ARG CG C 13 27.404 0.100 . 1 . . . 439 ARG CG . c16596_2kqe 1 793 . 1 1 77 77 ARG N N 15 118.284 0.100 . 1 . . . 439 ARG N . c16596_2kqe 1 794 . 1 1 78 78 HIS H H 1 8.889 0.020 . 1 . . . 440 HIS H . c16596_2kqe 1 795 . 1 1 78 78 HIS HA H 1 4.807 0.020 . 1 . . . 440 HIS HA . c16596_2kqe 1 796 . 1 1 78 78 HIS HB2 H 1 3.370 0.020 . 2 . . . 440 HIS HB2 . c16596_2kqe 1 797 . 1 1 78 78 HIS HB3 H 1 2.889 0.020 . 2 . . . 440 HIS HB3 . c16596_2kqe 1 798 . 1 1 78 78 HIS HD2 H 1 7.338 0.020 . 1 . . . 440 HIS HD2 . c16596_2kqe 1 799 . 1 1 78 78 HIS HE1 H 1 7.216 0.020 . 1 . . . 440 HIS HE1 . c16596_2kqe 1 800 . 1 1 78 78 HIS CA C 13 57.095 0.100 . 1 . . . 440 HIS CA . c16596_2kqe 1 801 . 1 1 78 78 HIS CB C 13 30.316 0.100 . 1 . . . 440 HIS CB . c16596_2kqe 1 802 . 1 1 78 78 HIS CD2 C 13 127.643 0.100 . 1 . . . 440 HIS CD2 . c16596_2kqe 1 803 . 1 1 78 78 HIS CE1 C 13 137.437 0.100 . 1 . . . 440 HIS CE1 . c16596_2kqe 1 804 . 1 1 78 78 HIS N N 15 121.568 0.100 . 1 . . . 440 HIS N . c16596_2kqe 1 805 . 1 1 79 79 ASN H H 1 8.876 0.020 . 1 . . . 441 ASN H . c16596_2kqe 1 806 . 1 1 79 79 ASN HA H 1 4.876 0.020 . 1 . . . 441 ASN HA . c16596_2kqe 1 807 . 1 1 79 79 ASN HB2 H 1 2.895 0.020 . 2 . . . 441 ASN HB2 . c16596_2kqe 1 808 . 1 1 79 79 ASN HB3 H 1 2.881 0.020 . 2 . . . 441 ASN HB3 . c16596_2kqe 1 809 . 1 1 79 79 ASN HD21 H 1 7.783 0.020 . 1 . . . 441 ASN HD21 . c16596_2kqe 1 810 . 1 1 79 79 ASN HD22 H 1 7.055 0.020 . 1 . . . 441 ASN HD22 . c16596_2kqe 1 811 . 1 1 79 79 ASN CA C 13 53.387 0.100 . 1 . . . 441 ASN CA . c16596_2kqe 1 812 . 1 1 79 79 ASN CB C 13 39.039 0.100 . 1 . . . 441 ASN CB . c16596_2kqe 1 813 . 1 1 79 79 ASN N N 15 120.377 0.100 . 1 . . . 441 ASN N . c16596_2kqe 1 814 . 1 1 79 79 ASN ND2 N 15 113.374 0.100 . 1 . . . 441 ASN ND2 . c16596_2kqe 1 815 . 1 1 80 80 THR H H 1 8.264 0.020 . 1 . . . 442 THR H . c16596_2kqe 1 816 . 1 1 80 80 THR HA H 1 4.372 0.020 . 1 . . . 442 THR HA . c16596_2kqe 1 817 . 1 1 80 80 THR HB H 1 4.237 0.020 . 1 . . . 442 THR HB . c16596_2kqe 1 818 . 1 1 80 80 THR HG21 H 1 1.239 0.020 . 1 . . . 442 THR HG21 . c16596_2kqe 1 819 . 1 1 80 80 THR HG22 H 1 1.239 0.020 . 1 . . . 442 THR HG22 . c16596_2kqe 1 820 . 1 1 80 80 THR HG23 H 1 1.239 0.020 . 1 . . . 442 THR HG23 . c16596_2kqe 1 821 . 1 1 80 80 THR CA C 13 61.787 0.100 . 1 . . . 442 THR CA . c16596_2kqe 1 822 . 1 1 80 80 THR CB C 13 69.844 0.100 . 1 . . . 442 THR CB . c16596_2kqe 1 823 . 1 1 80 80 THR CG2 C 13 21.868 0.100 . 1 . . . 442 THR CG2 . c16596_2kqe 1 824 . 1 1 80 80 THR N N 15 114.401 0.100 . 1 . . . 442 THR N . c16596_2kqe 1 825 . 1 1 81 81 LEU H H 1 8.323 0.020 . 1 . . . 443 LEU H . c16596_2kqe 1 826 . 1 1 81 81 LEU HA H 1 4.683 0.020 . 1 . . . 443 LEU HA . c16596_2kqe 1 827 . 1 1 81 81 LEU HB2 H 1 1.672 0.020 . 2 . . . 443 LEU HB2 . c16596_2kqe 1 828 . 1 1 81 81 LEU HB3 H 1 1.615 0.020 . 2 . . . 443 LEU HB3 . c16596_2kqe 1 829 . 1 1 81 81 LEU HD11 H 1 0.996 0.020 . 2 . . . 443 LEU HD11 . c16596_2kqe 1 830 . 1 1 81 81 LEU HD12 H 1 0.996 0.020 . 2 . . . 443 LEU HD12 . c16596_2kqe 1 831 . 1 1 81 81 LEU HD13 H 1 0.996 0.020 . 2 . . . 443 LEU HD13 . c16596_2kqe 1 832 . 1 1 81 81 LEU HD21 H 1 0.970 0.020 . 2 . . . 443 LEU HD21 . c16596_2kqe 1 833 . 1 1 81 81 LEU HD22 H 1 0.970 0.020 . 2 . . . 443 LEU HD22 . c16596_2kqe 1 834 . 1 1 81 81 LEU HD23 H 1 0.970 0.020 . 2 . . . 443 LEU HD23 . c16596_2kqe 1 835 . 1 1 81 81 LEU HG H 1 1.718 0.020 . 1 . . . 443 LEU HG . c16596_2kqe 1 836 . 1 1 81 81 LEU CA C 13 53.096 0.100 . 1 . . . 443 LEU CA . c16596_2kqe 1 837 . 1 1 81 81 LEU CB C 13 41.921 0.100 . 1 . . . 443 LEU CB . c16596_2kqe 1 838 . 1 1 81 81 LEU CD1 C 13 25.296 0.100 . 2 . . . 443 LEU CD1 . c16596_2kqe 1 839 . 1 1 81 81 LEU CD2 C 13 23.591 0.100 . 2 . . . 443 LEU CD2 . c16596_2kqe 1 840 . 1 1 81 81 LEU CG C 13 26.968 0.100 . 1 . . . 443 LEU CG . c16596_2kqe 1 841 . 1 1 81 81 LEU N N 15 125.734 0.100 . 1 . . . 443 LEU N . c16596_2kqe 1 842 . 1 1 82 82 PRO HA H 1 4.500 0.020 . 1 . . . 444 PRO HA . c16596_2kqe 1 843 . 1 1 82 82 PRO HB2 H 1 2.314 0.020 . 2 . . . 444 PRO HB2 . c16596_2kqe 1 844 . 1 1 82 82 PRO HB3 H 1 1.916 0.020 . 2 . . . 444 PRO HB3 . c16596_2kqe 1 845 . 1 1 82 82 PRO HD2 H 1 3.905 0.020 . 2 . . . 444 PRO HD2 . c16596_2kqe 1 846 . 1 1 82 82 PRO HD3 H 1 3.686 0.020 . 2 . . . 444 PRO HD3 . c16596_2kqe 1 847 . 1 1 82 82 PRO HG2 H 1 2.061 0.020 . 1 . . . 444 PRO HG2 . c16596_2kqe 1 848 . 1 1 82 82 PRO HG3 H 1 2.061 0.020 . 1 . . . 444 PRO HG3 . c16596_2kqe 1 849 . 1 1 82 82 PRO CA C 13 63.018 0.100 . 1 . . . 444 PRO CA . c16596_2kqe 1 850 . 1 1 82 82 PRO CB C 13 32.036 0.100 . 1 . . . 444 PRO CB . c16596_2kqe 1 851 . 1 1 82 82 PRO CD C 13 50.676 0.100 . 1 . . . 444 PRO CD . c16596_2kqe 1 852 . 1 1 82 82 PRO CG C 13 27.427 0.100 . 1 . . . 444 PRO CG . c16596_2kqe 1 853 . 1 1 83 83 VAL H H 1 8.244 0.020 . 1 . . . 445 VAL H . c16596_2kqe 1 854 . 1 1 83 83 VAL HA H 1 4.106 0.020 . 1 . . . 445 VAL HA . c16596_2kqe 1 855 . 1 1 83 83 VAL HB H 1 2.079 0.020 . 1 . . . 445 VAL HB . c16596_2kqe 1 856 . 1 1 83 83 VAL HG11 H 1 0.997 0.020 . 2 . . . 445 VAL HG11 . c16596_2kqe 1 857 . 1 1 83 83 VAL HG12 H 1 0.997 0.020 . 2 . . . 445 VAL HG12 . c16596_2kqe 1 858 . 1 1 83 83 VAL HG13 H 1 0.997 0.020 . 2 . . . 445 VAL HG13 . c16596_2kqe 1 859 . 1 1 83 83 VAL HG21 H 1 0.999 0.020 . 2 . . . 445 VAL HG21 . c16596_2kqe 1 860 . 1 1 83 83 VAL HG22 H 1 0.999 0.020 . 2 . . . 445 VAL HG22 . c16596_2kqe 1 861 . 1 1 83 83 VAL HG23 H 1 0.999 0.020 . 2 . . . 445 VAL HG23 . c16596_2kqe 1 862 . 1 1 83 83 VAL CA C 13 62.328 0.100 . 1 . . . 445 VAL CA . c16596_2kqe 1 863 . 1 1 83 83 VAL CB C 13 32.784 0.100 . 1 . . . 445 VAL CB . c16596_2kqe 1 864 . 1 1 83 83 VAL CG1 C 13 20.743 0.100 . 2 . . . 445 VAL CG1 . c16596_2kqe 1 865 . 1 1 83 83 VAL CG2 C 13 20.759 0.100 . 2 . . . 445 VAL CG2 . c16596_2kqe 1 866 . 1 1 83 83 VAL N N 15 120.697 0.100 . 1 . . . 445 VAL N . c16596_2kqe 1 867 . 1 1 84 84 ARG H H 1 8.419 0.020 . 1 . . . 446 ARG H . c16596_2kqe 1 868 . 1 1 84 84 ARG HA H 1 4.410 0.020 . 1 . . . 446 ARG HA . c16596_2kqe 1 869 . 1 1 84 84 ARG HB2 H 1 1.857 0.020 . 2 . . . 446 ARG HB2 . c16596_2kqe 1 870 . 1 1 84 84 ARG HB3 H 1 1.780 0.020 . 2 . . . 446 ARG HB3 . c16596_2kqe 1 871 . 1 1 84 84 ARG HD2 H 1 3.220 0.020 . 1 . . . 446 ARG HD2 . c16596_2kqe 1 872 . 1 1 84 84 ARG HD3 H 1 3.220 0.020 . 1 . . . 446 ARG HD3 . c16596_2kqe 1 873 . 1 1 84 84 ARG HG2 H 1 1.668 0.020 . 2 . . . 446 ARG HG2 . c16596_2kqe 1 874 . 1 1 84 84 ARG HG3 H 1 1.611 0.020 . 2 . . . 446 ARG HG3 . c16596_2kqe 1 875 . 1 1 84 84 ARG CA C 13 55.850 0.100 . 1 . . . 446 ARG CA . c16596_2kqe 1 876 . 1 1 84 84 ARG CB C 13 31.161 0.100 . 1 . . . 446 ARG CB . c16596_2kqe 1 877 . 1 1 84 84 ARG CD C 13 43.434 0.100 . 1 . . . 446 ARG CD . c16596_2kqe 1 878 . 1 1 84 84 ARG CG C 13 27.154 0.100 . 1 . . . 446 ARG CG . c16596_2kqe 1 879 . 1 1 84 84 ARG N N 15 124.912 0.100 . 1 . . . 446 ARG N . c16596_2kqe 1 880 . 1 1 85 85 ASN H H 1 8.604 0.020 . 1 . . . 447 ASN H . c16596_2kqe 1 881 . 1 1 85 85 ASN HA H 1 4.777 0.020 . 1 . . . 447 ASN HA . c16596_2kqe 1 882 . 1 1 85 85 ASN HB2 H 1 2.872 0.020 . 2 . . . 447 ASN HB2 . c16596_2kqe 1 883 . 1 1 85 85 ASN HB3 H 1 2.764 0.020 . 2 . . . 447 ASN HB3 . c16596_2kqe 1 884 . 1 1 85 85 ASN HD21 H 1 7.646 0.020 . 1 . . . 447 ASN HD21 . c16596_2kqe 1 885 . 1 1 85 85 ASN HD22 H 1 6.924 0.020 . 1 . . . 447 ASN HD22 . c16596_2kqe 1 886 . 1 1 85 85 ASN CA C 13 53.140 0.100 . 1 . . . 447 ASN CA . c16596_2kqe 1 887 . 1 1 85 85 ASN CB C 13 39.022 0.100 . 1 . . . 447 ASN CB . c16596_2kqe 1 888 . 1 1 85 85 ASN N N 15 121.258 0.100 . 1 . . . 447 ASN N . c16596_2kqe 1 889 . 1 1 85 85 ASN ND2 N 15 112.844 0.100 . 1 . . . 447 ASN ND2 . c16596_2kqe 1 890 . 1 1 86 86 VAL H H 1 8.187 0.020 . 1 . . . 448 VAL H . c16596_2kqe 1 891 . 1 1 86 86 VAL HA H 1 4.142 0.020 . 1 . . . 448 VAL HA . c16596_2kqe 1 892 . 1 1 86 86 VAL HB H 1 2.140 0.020 . 1 . . . 448 VAL HB . c16596_2kqe 1 893 . 1 1 86 86 VAL HG11 H 1 0.956 0.020 . 2 . . . 448 VAL HG11 . c16596_2kqe 1 894 . 1 1 86 86 VAL HG12 H 1 0.956 0.020 . 2 . . . 448 VAL HG12 . c16596_2kqe 1 895 . 1 1 86 86 VAL HG13 H 1 0.956 0.020 . 2 . . . 448 VAL HG13 . c16596_2kqe 1 896 . 1 1 86 86 VAL HG21 H 1 0.957 0.020 . 2 . . . 448 VAL HG21 . c16596_2kqe 1 897 . 1 1 86 86 VAL HG22 H 1 0.957 0.020 . 2 . . . 448 VAL HG22 . c16596_2kqe 1 898 . 1 1 86 86 VAL HG23 H 1 0.957 0.020 . 2 . . . 448 VAL HG23 . c16596_2kqe 1 899 . 1 1 86 86 VAL CA C 13 62.595 0.100 . 1 . . . 448 VAL CA . c16596_2kqe 1 900 . 1 1 86 86 VAL CB C 13 32.681 0.100 . 1 . . . 448 VAL CB . c16596_2kqe 1 901 . 1 1 86 86 VAL CG1 C 13 21.278 0.100 . 2 . . . 448 VAL CG1 . c16596_2kqe 1 902 . 1 1 86 86 VAL CG2 C 13 20.388 0.100 . 2 . . . 448 VAL CG2 . c16596_2kqe 1 903 . 1 1 86 86 VAL N N 15 120.745 0.100 . 1 . . . 448 VAL N . c16596_2kqe 1 904 . 1 1 87 87 LEU H H 1 8.311 0.020 . 1 . . . 449 LEU H . c16596_2kqe 1 905 . 1 1 87 87 LEU HA H 1 4.416 0.020 . 1 . . . 449 LEU HA . c16596_2kqe 1 906 . 1 1 87 87 LEU HB2 H 1 1.627 0.020 . 1 . . . 449 LEU HB2 . c16596_2kqe 1 907 . 1 1 87 87 LEU HB3 H 1 1.627 0.020 . 1 . . . 449 LEU HB3 . c16596_2kqe 1 908 . 1 1 87 87 LEU HD11 H 1 0.900 0.020 . 1 . . . 449 LEU HD11 . c16596_2kqe 1 909 . 1 1 87 87 LEU HD12 H 1 0.900 0.020 . 1 . . . 449 LEU HD12 . c16596_2kqe 1 910 . 1 1 87 87 LEU HD13 H 1 0.900 0.020 . 1 . . . 449 LEU HD13 . c16596_2kqe 1 911 . 1 1 87 87 LEU HD21 H 1 0.900 0.020 . 1 . . . 449 LEU HD21 . c16596_2kqe 1 912 . 1 1 87 87 LEU HD22 H 1 0.900 0.020 . 1 . . . 449 LEU HD22 . c16596_2kqe 1 913 . 1 1 87 87 LEU HD23 H 1 0.900 0.020 . 1 . . . 449 LEU HD23 . c16596_2kqe 1 914 . 1 1 87 87 LEU HG H 1 1.644 0.020 . 1 . . . 449 LEU HG . c16596_2kqe 1 915 . 1 1 87 87 LEU CA C 13 55.141 0.100 . 1 . . . 449 LEU CA . c16596_2kqe 1 916 . 1 1 87 87 LEU CB C 13 42.344 0.100 . 1 . . . 449 LEU CB . c16596_2kqe 1 917 . 1 1 87 87 LEU CD1 C 13 24.933 0.100 . 2 . . . 449 LEU CD1 . c16596_2kqe 1 918 . 1 1 87 87 LEU CD2 C 13 23.390 0.100 . 2 . . . 449 LEU CD2 . c16596_2kqe 1 919 . 1 1 87 87 LEU CG C 13 27.115 0.100 . 1 . . . 449 LEU CG . c16596_2kqe 1 920 . 1 1 87 87 LEU N N 15 124.673 0.100 . 1 . . . 449 LEU N . c16596_2kqe 1 921 . 1 1 88 88 ASP H H 1 8.239 0.020 . 1 . . . 450 ASP H . c16596_2kqe 1 922 . 1 1 88 88 ASP HA H 1 4.665 0.020 . 1 . . . 450 ASP HA . c16596_2kqe 1 923 . 1 1 88 88 ASP HB2 H 1 2.781 0.020 . 2 . . . 450 ASP HB2 . c16596_2kqe 1 924 . 1 1 88 88 ASP HB3 H 1 2.620 0.020 . 2 . . . 450 ASP HB3 . c16596_2kqe 1 925 . 1 1 88 88 ASP CA C 13 54.364 0.100 . 1 . . . 450 ASP CA . c16596_2kqe 1 926 . 1 1 88 88 ASP CB C 13 41.126 0.100 . 1 . . . 450 ASP CB . c16596_2kqe 1 927 . 1 1 88 88 ASP N N 15 121.582 0.100 . 1 . . . 450 ASP N . c16596_2kqe 1 928 . 1 1 89 89 GLU H H 1 7.813 0.020 . 1 . . . 451 GLU H . c16596_2kqe 1 929 . 1 1 89 89 GLU HA H 1 4.165 0.020 . 1 . . . 451 GLU HA . c16596_2kqe 1 930 . 1 1 89 89 GLU HB2 H 1 2.067 0.020 . 2 . . . 451 GLU HB2 . c16596_2kqe 1 931 . 1 1 89 89 GLU HB3 H 1 1.921 0.020 . 2 . . . 451 GLU HB3 . c16596_2kqe 1 932 . 1 1 89 89 GLU HG2 H 1 2.232 0.020 . 1 . . . 451 GLU HG2 . c16596_2kqe 1 933 . 1 1 89 89 GLU HG3 H 1 2.232 0.020 . 1 . . . 451 GLU HG3 . c16596_2kqe 1 934 . 1 1 89 89 GLU CA C 13 57.917 0.100 . 1 . . . 451 GLU CA . c16596_2kqe 1 935 . 1 1 89 89 GLU CB C 13 31.405 0.100 . 1 . . . 451 GLU CB . c16596_2kqe 1 936 . 1 1 89 89 GLU CG C 13 36.595 0.100 . 1 . . . 451 GLU CG . c16596_2kqe 1 937 . 1 1 89 89 GLU N N 15 125.775 0.100 . 1 . . . 451 GLU N . c16596_2kqe 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c16596_2kqe _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 2 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c16596_2kqe _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . c16596_2kqe 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . c16596_2kqe 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 43 GLY C C -22.914 -2.409 -11.709 . . . 1.0 . . . . . . . . . . . . A . 405 GLY C . . . . . . . . . c16596_2kqe 1 . 1 . 2 . 1 1 43 GLY CA C -24.024 -1.379 -11.965 . . . 1.0 . . . . . . . . . . . . A . 405 GLY CA . . . . . . . . . c16596_2kqe 1 . 1 . 3 . 1 1 43 GLY H H -25.755 -1.371 -13.124 . . . 1.0 . . . . . . . . . . . . A . 405 GLY H . . . . . . . . . c16596_2kqe 1 . 1 . 4 . 1 1 43 GLY HA2 H -23.585 -0.403 -12.117 . . . 1.0 . . . . . . . . . . . . A . 405 GLY HA2 . . . . . . . . . c16596_2kqe 1 . 1 . 5 . 1 1 43 GLY HA3 H -24.684 -1.349 -11.112 . . . 1.0 . . . . . . . . . . . . A . 405 GLY HA3 . . . . . . . . . c16596_2kqe 1 . 1 . 6 . 1 1 43 GLY N N -24.796 -1.770 -13.179 . . . 1.0 . . . . . . . . . . . . A . 405 GLY N . . . . . . . . . c16596_2kqe 1 . 1 . 7 . 1 1 43 GLY O O -22.253 -2.851 -12.630 . . . 1.0 . . . . . . . . . . . . A . 405 GLY O . . . . . . . . . c16596_2kqe 1 . 1 . 8 . 1 1 44 GLY C C -20.903 -3.394 -8.879 . . . 1.0 . . . . . . . . . . . . A . 406 GLY C . . . . . . . . . c16596_2kqe 1 . 1 . 9 . 1 1 44 GLY CA C -21.632 -3.795 -10.168 . . . 1.0 . . . . . . . . . . . . A . 406 GLY CA . . . . . . . . . c16596_2kqe 1 . 1 . 10 . 1 1 44 GLY H H -23.240 -2.432 -9.731 . . . 1.0 . . . . . . . . . . . . A . 406 GLY H . . . . . . . . . c16596_2kqe 1 . 1 . 11 . 1 1 44 GLY HA2 H -22.079 -4.770 -10.039 . . . 1.0 . . . . . . . . . . . . A . 406 GLY HA2 . . . . . . . . . c16596_2kqe 1 . 1 . 12 . 1 1 44 GLY HA3 H -20.925 -3.825 -10.983 . . . 1.0 . . . . . . . . . . . . A . 406 GLY HA3 . . . . . . . . . c16596_2kqe 1 . 1 . 13 . 1 1 44 GLY N N -22.699 -2.796 -10.467 . . . 1.0 . . . . . . . . . . . . A . 406 GLY N . . . . . . . . . c16596_2kqe 1 . 1 . 14 . 1 1 44 GLY O O -19.922 -2.674 -8.917 . . . 1.0 . . . . . . . . . . . . A . 406 GLY O . . . . . . . . . c16596_2kqe 1 . 1 . 15 . 1 1 45 VAL C C -20.108 -4.756 -5.807 . . . 1.0 . . . . . . . . . . . . A . 407 VAL C . . . . . . . . . c16596_2kqe 1 . 1 . 16 . 1 1 45 VAL CA C -20.700 -3.493 -6.453 . . . 1.0 . . . . . . . . . . . . A . 407 VAL CA . . . . . . . . . c16596_2kqe 1 . 1 . 17 . 1 1 45 VAL CB C -21.808 -2.895 -5.580 . . . 1.0 . . . . . . . . . . . . A . 407 VAL CB . . . . . . . . . c16596_2kqe 1 . 1 . 18 . 1 1 45 VAL CG1 C -21.241 -2.506 -4.212 . . . 1.0 . . . . . . . . . . . . A . 407 VAL CG1 . . . . . . . . . c16596_2kqe 1 . 1 . 19 . 1 1 45 VAL CG2 C -22.378 -1.649 -6.262 . . . 1.0 . . . . . . . . . . . . A . 407 VAL CG2 . . . . . . . . . c16596_2kqe 1 . 1 . 20 . 1 1 45 VAL H H -22.165 -4.435 -7.723 . . . 1.0 . . . . . . . . . . . . A . 407 VAL H . . . . . . . . . c16596_2kqe 1 . 1 . 21 . 1 1 45 VAL HA H -19.927 -2.762 -6.625 . . . 1.0 . . . . . . . . . . . . A . 407 VAL HA . . . . . . . . . c16596_2kqe 1 . 1 . 22 . 1 1 45 VAL HB H -22.593 -3.626 -5.451 . . . 1.0 . . . . . . . . . . . . A . 407 VAL HB . . . . . . . . . c16596_2kqe 1 . 1 . 23 . 1 1 45 VAL HG11 H -20.205 -2.218 -4.321 . . . 1.0 . . . . . . . . . . . . A . 407 VAL HG11 . . . . . . . . . c16596_2kqe 1 . 1 . 24 . 1 1 45 VAL HG12 H -21.312 -3.348 -3.540 . . . 1.0 . . . . . . . . . . . . A . 407 VAL HG12 . . . . . . . . . c16596_2kqe 1 . 1 . 25 . 1 1 45 VAL HG13 H -21.805 -1.677 -3.812 . . . 1.0 . . . . . . . . . . . . A . 407 VAL HG13 . . . . . . . . . c16596_2kqe 1 . 1 . 26 . 1 1 45 VAL HG21 H -21.596 -1.152 -6.817 . . . 1.0 . . . . . . . . . . . . A . 407 VAL HG21 . . . . . . . . . c16596_2kqe 1 . 1 . 27 . 1 1 45 VAL HG22 H -22.771 -0.977 -5.514 . . . 1.0 . . . . . . . . . . . . A . 407 VAL HG22 . . . . . . . . . c16596_2kqe 1 . 1 . 28 . 1 1 45 VAL HG23 H -23.170 -1.938 -6.938 . . . 1.0 . . . . . . . . . . . . A . 407 VAL HG23 . . . . . . . . . c16596_2kqe 1 . 1 . 29 . 1 1 45 VAL N N -21.372 -3.853 -7.737 . . . 1.0 . . . . . . . . . . . . A . 407 VAL N . . . . . . . . . c16596_2kqe 1 . 1 . 30 . 1 1 45 VAL O O -20.406 -5.074 -4.671 . . . 1.0 . . . . . . . . . . . . A . 407 VAL O . . . . . . . . . c16596_2kqe 1 . 1 . 31 . 1 1 46 GLN C C -17.139 -6.588 -5.888 . . . 1.0 . . . . . . . . . . . . A . 408 GLN C . . . . . . . . . c16596_2kqe 1 . 1 . 32 . 1 1 46 GLN CA C -18.669 -6.718 -5.945 . . . 1.0 . . . . . . . . . . . . A . 408 GLN CA . . . . . . . . . c16596_2kqe 1 . 1 . 33 . 1 1 46 GLN CB C -19.078 -7.840 -6.900 . . . 1.0 . . . . . . . . . . . . A . 408 GLN CB . . . . . . . . . c16596_2kqe 1 . 1 . 34 . 1 1 46 GLN CD C -21.436 -7.446 -7.651 . . . 1.0 . . . . . . . . . . . . A . 408 GLN CD . . . . . . . . . c16596_2kqe 1 . 1 . 35 . 1 1 46 GLN CG C -20.544 -8.208 -6.661 . . . 1.0 . . . . . . . . . . . . A . 408 GLN CG . . . . . . . . . c16596_2kqe 1 . 1 . 36 . 1 1 46 GLN H H -19.043 -5.211 -7.440 . . . 1.0 . . . . . . . . . . . . A . 408 GLN H . . . . . . . . . c16596_2kqe 1 . 1 . 37 . 1 1 46 GLN HA H -19.068 -6.908 -4.961 . . . 1.0 . . . . . . . . . . . . A . 408 GLN HA . . . . . . . . . c16596_2kqe 1 . 1 . 38 . 1 1 46 GLN HB2 H -18.950 -7.508 -7.921 . . . 1.0 . . . . . . . . . . . . A . 408 GLN HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 39 . 1 1 46 GLN HB3 H -18.458 -8.707 -6.724 . . . 1.0 . . . . . . . . . . . . A . 408 GLN HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 40 . 1 1 46 GLN HE21 H -22.962 -8.727 -7.523 . . . 1.0 . . . . . . . . . . . . A . 408 GLN HE21 . . . . . . . . . c16596_2kqe 1 . 1 . 41 . 1 1 46 GLN HE22 H -23.200 -7.412 -8.570 . . . 1.0 . . . . . . . . . . . . A . 408 GLN HE22 . . . . . . . . . c16596_2kqe 1 . 1 . 42 . 1 1 46 GLN HG2 H -20.675 -9.271 -6.803 . . . 1.0 . . . . . . . . . . . . A . 408 GLN HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 43 . 1 1 46 GLN HG3 H -20.823 -7.943 -5.652 . . . 1.0 . . . . . . . . . . . . A . 408 GLN HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 44 . 1 1 46 GLN N N -19.273 -5.480 -6.523 . . . 1.0 . . . . . . . . . . . . A . 408 GLN N . . . . . . . . . c16596_2kqe 1 . 1 . 45 . 1 1 46 GLN NE2 N -22.632 -7.900 -7.937 . . . 1.0 . . . . . . . . . . . . A . 408 GLN NE2 . . . . . . . . . c16596_2kqe 1 . 1 . 46 . 1 1 46 GLN O O -16.589 -5.566 -6.255 . . . 1.0 . . . . . . . . . . . . A . 408 GLN O . . . . . . . . . c16596_2kqe 1 . 1 . 47 . 1 1 46 GLN OE1 O -21.042 -6.420 -8.171 . . . 1.0 . . . . . . . . . . . . A . 408 GLN OE1 . . . . . . . . . c16596_2kqe 1 . 1 . 48 . 1 1 47 ILE C C -14.326 -8.582 -6.293 . . . 1.0 . . . . . . . . . . . . A . 409 ILE C . . . . . . . . . c16596_2kqe 1 . 1 . 49 . 1 1 47 ILE CA C -14.954 -7.533 -5.358 . . . 1.0 . . . . . . . . . . . . A . 409 ILE CA . . . . . . . . . c16596_2kqe 1 . 1 . 50 . 1 1 47 ILE CB C -14.611 -7.831 -3.893 . . . 1.0 . . . . . . . . . . . . A . 409 ILE CB . . . . . . . . . c16596_2kqe 1 . 1 . 51 . 1 1 47 ILE CD1 C -15.682 -7.428 -1.669 . . . 1.0 . . . . . . . . . . . . A . 409 ILE CD1 . . . . . . . . . c16596_2kqe 1 . 1 . 52 . 1 1 47 ILE CG1 C -15.262 -6.778 -2.989 . . . 1.0 . . . . . . . . . . . . A . 409 ILE CG1 . . . . . . . . . c16596_2kqe 1 . 1 . 53 . 1 1 47 ILE CG2 C -13.093 -7.792 -3.699 . . . 1.0 . . . . . . . . . . . . A . 409 ILE CG2 . . . . . . . . . c16596_2kqe 1 . 1 . 54 . 1 1 47 ILE H H -16.900 -8.432 -5.139 . . . 1.0 . . . . . . . . . . . . A . 409 ILE H . . . . . . . . . c16596_2kqe 1 . 1 . 55 . 1 1 47 ILE HA H -14.616 -6.543 -5.622 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HA . . . . . . . . . c16596_2kqe 1 . 1 . 56 . 1 1 47 ILE HB H -14.982 -8.811 -3.631 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HB . . . . . . . . . c16596_2kqe 1 . 1 . 57 . 1 1 47 ILE HD11 H -16.708 -7.757 -1.740 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HD11 . . . . . . . . . c16596_2kqe 1 . 1 . 58 . 1 1 47 ILE HD12 H -15.588 -6.710 -0.868 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HD12 . . . . . . . . . c16596_2kqe 1 . 1 . 59 . 1 1 47 ILE HD13 H -15.045 -8.277 -1.468 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HD13 . . . . . . . . . c16596_2kqe 1 . 1 . 60 . 1 1 47 ILE HG12 H -14.554 -5.986 -2.791 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HG12 . . . . . . . . . c16596_2kqe 1 . 1 . 61 . 1 1 47 ILE HG13 H -16.132 -6.368 -3.478 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HG13 . . . . . . . . . c16596_2kqe 1 . 1 . 62 . 1 1 47 ILE HG21 H -12.867 -7.498 -2.685 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HG21 . . . . . . . . . c16596_2kqe 1 . 1 . 63 . 1 1 47 ILE HG22 H -12.660 -7.080 -4.385 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HG22 . . . . . . . . . c16596_2kqe 1 . 1 . 64 . 1 1 47 ILE HG23 H -12.681 -8.772 -3.890 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HG23 . . . . . . . . . c16596_2kqe 1 . 1 . 65 . 1 1 47 ILE N N -16.444 -7.612 -5.433 . . . 1.0 . . . . . . . . . . . . A . 409 ILE N . . . . . . . . . c16596_2kqe 1 . 1 . 66 . 1 1 47 ILE O O -13.585 -9.443 -5.853 . . . 1.0 . . . . . . . . . . . . A . 409 ILE O . . . . . . . . . c16596_2kqe 1 . 1 . 67 . 1 1 48 VAL C C -12.705 -8.986 -9.111 . . . 1.0 . . . . . . . . . . . . A . 410 VAL C . . . . . . . . . c16596_2kqe 1 . 1 . 68 . 1 1 48 VAL CA C -14.025 -9.520 -8.524 . . . 1.0 . . . . . . . . . . . . A . 410 VAL CA . . . . . . . . . c16596_2kqe 1 . 1 . 69 . 1 1 48 VAL CB C -15.077 -9.736 -9.630 . . . 1.0 . . . . . . . . . . . . A . 410 VAL CB . . . . . . . . . c16596_2kqe 1 . 1 . 70 . 1 1 48 VAL CG1 C -16.401 -10.183 -9.002 . . . 1.0 . . . . . . . . . . . . A . 410 VAL CG1 . . . . . . . . . c16596_2kqe 1 . 1 . 71 . 1 1 48 VAL CG2 C -15.298 -8.444 -10.440 . . . 1.0 . . . . . . . . . . . . A . 410 VAL CG2 . . . . . . . . . c16596_2kqe 1 . 1 . 72 . 1 1 48 VAL H H -15.210 -7.822 -7.917 . . . 1.0 . . . . . . . . . . . . A . 410 VAL H . . . . . . . . . c16596_2kqe 1 . 1 . 73 . 1 1 48 VAL HA H -13.845 -10.450 -8.008 . . . 1.0 . . . . . . . . . . . . A . 410 VAL HA . . . . . . . . . c16596_2kqe 1 . 1 . 74 . 1 1 48 VAL HB H -14.728 -10.504 -10.283 . . . 1.0 . . . . . . . . . . . . A . 410 VAL HB . . . . . . . . . c16596_2kqe 1 . 1 . 75 . 1 1 48 VAL HG11 H -16.204 -10.893 -8.212 . . . 1.0 . . . . . . . . . . . . A . 410 VAL HG11 . . . . . . . . . c16596_2kqe 1 . 1 . 76 . 1 1 48 VAL HG12 H -17.019 -10.647 -9.757 . . . 1.0 . . . . . . . . . . . . A . 410 VAL HG12 . . . . . . . . . c16596_2kqe 1 . 1 . 77 . 1 1 48 VAL HG13 H -16.915 -9.324 -8.595 . . . 1.0 . . . . . . . . . . . . A . 410 VAL HG13 . . . . . . . . . c16596_2kqe 1 . 1 . 78 . 1 1 48 VAL HG21 H -14.575 -7.701 -10.139 . . . 1.0 . . . . . . . . . . . . A . 410 VAL HG21 . . . . . . . . . c16596_2kqe 1 . 1 . 79 . 1 1 48 VAL HG22 H -16.295 -8.067 -10.261 . . . 1.0 . . . . . . . . . . . . A . 410 VAL HG22 . . . . . . . . . c16596_2kqe 1 . 1 . 80 . 1 1 48 VAL HG23 H -15.178 -8.656 -11.492 . . . 1.0 . . . . . . . . . . . . A . 410 VAL HG23 . . . . . . . . . c16596_2kqe 1 . 1 . 81 . 1 1 48 VAL N N -14.613 -8.520 -7.578 . . . 1.0 . . . . . . . . . . . . A . 410 VAL N . . . . . . . . . c16596_2kqe 1 . 1 . 82 . 1 1 48 VAL O O -12.585 -8.807 -10.309 . . . 1.0 . . . . . . . . . . . . A . 410 VAL O . . . . . . . . . c16596_2kqe 1 . 1 . 83 . 1 1 49 GLY C C -9.867 -7.138 -7.845 . . . 1.0 . . . . . . . . . . . . A . 411 GLY C . . . . . . . . . c16596_2kqe 1 . 1 . 84 . 1 1 49 GLY CA C -10.415 -8.210 -8.801 . . . 1.0 . . . . . . . . . . . . A . 411 GLY CA . . . . . . . . . c16596_2kqe 1 . 1 . 85 . 1 1 49 GLY H H -11.824 -8.878 -7.314 . . . 1.0 . . . . . . . . . . . . A . 411 GLY H . . . . . . . . . c16596_2kqe 1 . 1 . 86 . 1 1 49 GLY HA2 H -9.708 -9.023 -8.877 . . . 1.0 . . . . . . . . . . . . A . 411 GLY HA2 . . . . . . . . . c16596_2kqe 1 . 1 . 87 . 1 1 49 GLY HA3 H -10.567 -7.772 -9.776 . . . 1.0 . . . . . . . . . . . . A . 411 GLY HA3 . . . . . . . . . c16596_2kqe 1 . 1 . 88 . 1 1 49 GLY N N -11.715 -8.729 -8.280 . . . 1.0 . . . . . . . . . . . . A . 411 GLY N . . . . . . . . . c16596_2kqe 1 . 1 . 89 . 1 1 49 GLY O O -8.683 -7.089 -7.580 . . . 1.0 . . . . . . . . . . . . A . 411 GLY O . . . . . . . . . c16596_2kqe 1 . 1 . 90 . 1 1 50 GLN C C -9.419 -4.153 -7.154 . . . 1.0 . . . . . . . . . . . . A . 412 GLN C . . . . . . . . . c16596_2kqe 1 . 1 . 91 . 1 1 50 GLN CA C -10.256 -5.187 -6.382 . . . 1.0 . . . . . . . . . . . . A . 412 GLN CA . . . . . . . . . c16596_2kqe 1 . 1 . 92 . 1 1 50 GLN CB C -9.406 -5.820 -5.245 . . . 1.0 . . . . . . . . . . . . A . 412 GLN CB . . . . . . . . . c16596_2kqe 1 . 1 . 93 . 1 1 50 GLN CD C -8.795 -8.148 -4.510 . . . 1.0 . . . . . . . . . . . . A . 412 GLN CD . . . . . . . . . c16596_2kqe 1 . 1 . 94 . 1 1 50 GLN CG C -9.961 -7.182 -4.782 . . . 1.0 . . . . . . . . . . . . A . 412 GLN CG . . . . . . . . . c16596_2kqe 1 . 1 . 95 . 1 1 50 GLN H H -11.657 -6.321 -7.553 . . . 1.0 . . . . . . . . . . . . A . 412 GLN H . . . . . . . . . c16596_2kqe 1 . 1 . 96 . 1 1 50 GLN HA H -11.120 -4.699 -5.955 . . . 1.0 . . . . . . . . . . . . A . 412 GLN HA . . . . . . . . . c16596_2kqe 1 . 1 . 97 . 1 1 50 GLN HB2 H -8.394 -5.943 -5.579 . . . 1.0 . . . . . . . . . . . . A . 412 GLN HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 98 . 1 1 50 GLN HB3 H -9.407 -5.143 -4.403 . . . 1.0 . . . . . . . . . . . . A . 412 GLN HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 99 . 1 1 50 GLN HE21 H -7.885 -7.846 -6.268 . . . 1.0 . . . . . . . . . . . . A . 412 GLN HE21 . . . . . . . . . c16596_2kqe 1 . 1 . 100 . 1 1 50 GLN HE22 H -7.117 -8.942 -5.229 . . . 1.0 . . . . . . . . . . . . A . 412 GLN HE22 . . . . . . . . . c16596_2kqe 1 . 1 . 101 . 1 1 50 GLN HG2 H -10.526 -7.043 -3.872 . . . 1.0 . . . . . . . . . . . . A . 412 GLN HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 102 . 1 1 50 GLN HG3 H -10.604 -7.604 -5.534 . . . 1.0 . . . . . . . . . . . . A . 412 GLN HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 103 . 1 1 50 GLN N N -10.713 -6.272 -7.323 . . . 1.0 . . . . . . . . . . . . A . 412 GLN N . . . . . . . . . c16596_2kqe 1 . 1 . 104 . 1 1 50 GLN NE2 N -7.855 -8.325 -5.412 . . . 1.0 . . . . . . . . . . . . A . 412 GLN NE2 . . . . . . . . . c16596_2kqe 1 . 1 . 105 . 1 1 50 GLN O O -9.822 -3.013 -7.295 . . . 1.0 . . . . . . . . . . . . A . 412 GLN O . . . . . . . . . c16596_2kqe 1 . 1 . 106 . 1 1 50 GLN OE1 O -8.737 -8.753 -3.458 . . . 1.0 . . . . . . . . . . . . A . 412 GLN OE1 . . . . . . . . . c16596_2kqe 1 . 1 . 107 . 1 1 51 ASP C C -6.215 -4.259 -9.088 . . . 1.0 . . . . . . . . . . . . A . 413 ASP C . . . . . . . . . c16596_2kqe 1 . 1 . 108 . 1 1 51 ASP CA C -7.417 -3.557 -8.426 . . . 1.0 . . . . . . . . . . . . A . 413 ASP CA . . . . . . . . . c16596_2kqe 1 . 1 . 109 . 1 1 51 ASP CB C -6.933 -2.540 -7.388 . . . 1.0 . . . . . . . . . . . . A . 413 ASP CB . . . . . . . . . c16596_2kqe 1 . 1 . 110 . 1 1 51 ASP CG C -6.323 -1.332 -8.101 . . . 1.0 . . . . . . . . . . . . A . 413 ASP CG . . . . . . . . . c16596_2kqe 1 . 1 . 111 . 1 1 51 ASP H H -7.952 -5.453 -7.545 . . . 1.0 . . . . . . . . . . . . A . 413 ASP H . . . . . . . . . c16596_2kqe 1 . 1 . 112 . 1 1 51 ASP HA H -8.012 -3.064 -9.170 . . . 1.0 . . . . . . . . . . . . A . 413 ASP HA . . . . . . . . . c16596_2kqe 1 . 1 . 113 . 1 1 51 ASP HB2 H -7.768 -2.218 -6.783 . . . 1.0 . . . . . . . . . . . . A . 413 ASP HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 114 . 1 1 51 ASP HB3 H -6.186 -2.998 -6.757 . . . 1.0 . . . . . . . . . . . . A . 413 ASP HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 115 . 1 1 51 ASP N N -8.261 -4.533 -7.661 . . . 1.0 . . . . . . . . . . . . A . 413 ASP N . . . . . . . . . c16596_2kqe 1 . 1 . 116 . 1 1 51 ASP O O -5.102 -3.771 -9.029 . . . 1.0 . . . . . . . . . . . . A . 413 ASP O . . . . . . . . . c16596_2kqe 1 . 1 . 117 . 1 1 51 ASP OD1 O -6.929 -0.860 -9.049 . . . 1.0 . . . . . . . . . . . . A . 413 ASP OD1 . . . . . . . . . c16596_2kqe 1 . 1 . 118 . 1 1 51 ASP OD2 O -5.260 -0.899 -7.687 . . . 1.0 . . . . . . . . . . . . A . 413 ASP OD2 . . . . . . . . . c16596_2kqe 1 . 1 . 119 . 1 1 52 GLU C C -4.123 -6.331 -9.402 . . . 1.0 . . . . . . . . . . . . A . 414 GLU C . . . . . . . . . c16596_2kqe 1 . 1 . 120 . 1 1 52 GLU CA C -5.290 -6.125 -10.386 . . . 1.0 . . . . . . . . . . . . A . 414 GLU CA . . . . . . . . . c16596_2kqe 1 . 1 . 121 . 1 1 52 GLU CB C -4.865 -5.223 -11.551 . . . 1.0 . . . . . . . . . . . . A . 414 GLU CB . . . . . . . . . c16596_2kqe 1 . 1 . 122 . 1 1 52 GLU CD C -5.789 -6.224 -13.647 . . . 1.0 . . . . . . . . . . . . A . 414 GLU CD . . . . . . . . . c16596_2kqe 1 . 1 . 123 . 1 1 52 GLU CG C -4.539 -6.082 -12.775 . . . 1.0 . . . . . . . . . . . . A . 414 GLU CG . . . . . . . . . c16596_2kqe 1 . 1 . 124 . 1 1 52 GLU H H -7.328 -5.785 -9.763 . . . 1.0 . . . . . . . . . . . . A . 414 GLU H . . . . . . . . . c16596_2kqe 1 . 1 . 125 . 1 1 52 GLU HA H -5.626 -7.077 -10.764 . . . 1.0 . . . . . . . . . . . . A . 414 GLU HA . . . . . . . . . c16596_2kqe 1 . 1 . 126 . 1 1 52 GLU HB2 H -5.670 -4.544 -11.791 . . . 1.0 . . . . . . . . . . . . A . 414 GLU HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 127 . 1 1 52 GLU HB3 H -3.989 -4.658 -11.268 . . . 1.0 . . . . . . . . . . . . A . 414 GLU HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 128 . 1 1 52 GLU HG2 H -3.752 -5.611 -13.346 . . . 1.0 . . . . . . . . . . . . A . 414 GLU HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 129 . 1 1 52 GLU HG3 H -4.215 -7.060 -12.453 . . . 1.0 . . . . . . . . . . . . A . 414 GLU HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 130 . 1 1 52 GLU N N -6.425 -5.401 -9.721 . . . 1.0 . . . . . . . . . . . . A . 414 GLU N . . . . . . . . . c16596_2kqe 1 . 1 . 131 . 1 1 52 GLU O O -3.020 -5.874 -9.640 . . . 1.0 . . . . . . . . . . . . A . 414 GLU O . . . . . . . . . c16596_2kqe 1 . 1 . 132 . 1 1 52 GLU OE1 O -6.870 -6.311 -13.088 . . . 1.0 . . . . . . . . . . . . A . 414 GLU OE1 . . . . . . . . . c16596_2kqe 1 . 1 . 133 . 1 1 52 GLU OE2 O -5.643 -6.243 -14.858 . . . 1.0 . . . . . . . . . . . . A . 414 GLU OE2 . . . . . . . . . c16596_2kqe 1 . 1 . 134 . 1 1 53 THR C C -2.834 -8.719 -7.303 . . . 1.0 . . . . . . . . . . . . A . 415 THR C . . . . . . . . . c16596_2kqe 1 . 1 . 135 . 1 1 53 THR CA C -3.250 -7.239 -7.314 . . . 1.0 . . . . . . . . . . . . A . 415 THR CA . . . . . . . . . c16596_2kqe 1 . 1 . 136 . 1 1 53 THR CB C -3.819 -6.828 -5.953 . . . 1.0 . . . . . . . . . . . . A . 415 THR CB . . . . . . . . . c16596_2kqe 1 . 1 . 137 . 1 1 53 THR CG2 C -3.347 -5.416 -5.606 . . . 1.0 . . . . . . . . . . . . A . 415 THR CG2 . . . . . . . . . c16596_2kqe 1 . 1 . 138 . 1 1 53 THR H H -5.250 -7.378 -8.117 . . . 1.0 . . . . . . . . . . . . A . 415 THR H . . . . . . . . . c16596_2kqe 1 . 1 . 139 . 1 1 53 THR HA H -2.403 -6.618 -7.561 . . . 1.0 . . . . . . . . . . . . A . 415 THR HA . . . . . . . . . c16596_2kqe 1 . 1 . 140 . 1 1 53 THR HB H -3.468 -7.514 -5.199 . . . 1.0 . . . . . . . . . . . . A . 415 THR HB . . . . . . . . . c16596_2kqe 1 . 1 . 141 . 1 1 53 THR HG1 H -5.567 -6.817 -5.096 . . . 1.0 . . . . . . . . . . . . A . 415 THR HG1 . . . . . . . . . c16596_2kqe 1 . 1 . 142 . 1 1 53 THR HG21 H -3.076 -4.894 -6.513 . . . 1.0 . . . . . . . . . . . . A . 415 THR HG21 . . . . . . . . . c16596_2kqe 1 . 1 . 143 . 1 1 53 THR HG22 H -2.489 -5.474 -4.954 . . . 1.0 . . . . . . . . . . . . A . 415 THR HG22 . . . . . . . . . c16596_2kqe 1 . 1 . 144 . 1 1 53 THR HG23 H -4.143 -4.882 -5.108 . . . 1.0 . . . . . . . . . . . . A . 415 THR HG23 . . . . . . . . . c16596_2kqe 1 . 1 . 145 . 1 1 53 THR N N -4.355 -7.014 -8.298 . . . 1.0 . . . . . . . . . . . . A . 415 THR N . . . . . . . . . c16596_2kqe 1 . 1 . 146 . 1 1 53 THR O O -3.001 -9.409 -6.313 . . . 1.0 . . . . . . . . . . . . A . 415 THR O . . . . . . . . . c16596_2kqe 1 . 1 . 147 . 1 1 53 THR OG1 O -5.240 -6.860 -5.998 . . . 1.0 . . . . . . . . . . . . A . 415 THR OG1 . . . . . . . . . c16596_2kqe 1 . 1 . 148 . 1 1 54 ASP C C -0.352 -10.794 -8.069 . . . 1.0 . . . . . . . . . . . . A . 416 ASP C . . . . . . . . . c16596_2kqe 1 . 1 . 149 . 1 1 54 ASP CA C -1.846 -10.652 -8.431 . . . 1.0 . . . . . . . . . . . . A . 416 ASP CA . . . . . . . . . c16596_2kqe 1 . 1 . 150 . 1 1 54 ASP CB C -2.093 -11.131 -9.867 . . . 1.0 . . . . . . . . . . . . A . 416 ASP CB . . . . . . . . . c16596_2kqe 1 . 1 . 151 . 1 1 54 ASP CG C -1.849 -12.639 -9.952 . . . 1.0 . . . . . . . . . . . . A . 416 ASP CG . . . . . . . . . c16596_2kqe 1 . 1 . 152 . 1 1 54 ASP H H -2.150 -8.631 -9.180 . . . 1.0 . . . . . . . . . . . . A . 416 ASP H . . . . . . . . . c16596_2kqe 1 . 1 . 153 . 1 1 54 ASP HA H -2.440 -11.229 -7.748 . . . 1.0 . . . . . . . . . . . . A . 416 ASP HA . . . . . . . . . c16596_2kqe 1 . 1 . 154 . 1 1 54 ASP HB2 H -3.113 -10.914 -10.148 . . . 1.0 . . . . . . . . . . . . A . 416 ASP HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 155 . 1 1 54 ASP HB3 H -1.418 -10.621 -10.538 . . . 1.0 . . . . . . . . . . . . A . 416 ASP HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 156 . 1 1 54 ASP N N -2.283 -9.211 -8.392 . . . 1.0 . . . . . . . . . . . . A . 416 ASP N . . . . . . . . . c16596_2kqe 1 . 1 . 157 . 1 1 54 ASP O O 0.064 -11.817 -7.560 . . . 1.0 . . . . . . . . . . . . A . 416 ASP O . . . . . . . . . c16596_2kqe 1 . 1 . 158 . 1 1 54 ASP OD1 O -2.665 -13.382 -9.431 . . . 1.0 . . . . . . . . . . . . A . 416 ASP OD1 . . . . . . . . . c16596_2kqe 1 . 1 . 159 . 1 1 54 ASP OD2 O -0.850 -13.026 -10.536 . . . 1.0 . . . . . . . . . . . . A . 416 ASP OD2 . . . . . . . . . c16596_2kqe 1 . 1 . 160 . 1 1 55 ASP C C 2.254 -8.835 -6.908 . . . 1.0 . . . . . . . . . . . . A . 417 ASP C . . . . . . . . . c16596_2kqe 1 . 1 . 161 . 1 1 55 ASP CA C 1.907 -9.876 -7.982 . . . 1.0 . . . . . . . . . . . . A . 417 ASP CA . . . . . . . . . c16596_2kqe 1 . 1 . 162 . 1 1 55 ASP CB C 2.640 -9.569 -9.292 . . . 1.0 . . . . . . . . . . . . A . 417 ASP CB . . . . . . . . . c16596_2kqe 1 . 1 . 163 . 1 1 55 ASP CG C 3.954 -10.351 -9.341 . . . 1.0 . . . . . . . . . . . . A . 417 ASP CG . . . . . . . . . c16596_2kqe 1 . 1 . 164 . 1 1 55 ASP H H 0.103 -8.966 -8.723 . . . 1.0 . . . . . . . . . . . . A . 417 ASP H . . . . . . . . . c16596_2kqe 1 . 1 . 165 . 1 1 55 ASP HA H 2.153 -10.869 -7.642 . . . 1.0 . . . . . . . . . . . . A . 417 ASP HA . . . . . . . . . c16596_2kqe 1 . 1 . 166 . 1 1 55 ASP HB2 H 2.018 -9.857 -10.128 . . . 1.0 . . . . . . . . . . . . A . 417 ASP HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 167 . 1 1 55 ASP HB3 H 2.850 -8.511 -9.347 . . . 1.0 . . . . . . . . . . . . A . 417 ASP HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 168 . 1 1 55 ASP N N 0.455 -9.783 -8.320 . . . 1.0 . . . . . . . . . . . . A . 417 ASP N . . . . . . . . . c16596_2kqe 1 . 1 . 169 . 1 1 55 ASP O O 3.153 -8.034 -7.088 . . . 1.0 . . . . . . . . . . . . A . 417 ASP O . . . . . . . . . c16596_2kqe 1 . 1 . 170 . 1 1 55 ASP OD1 O 3.927 -11.489 -9.780 . . . 1.0 . . . . . . . . . . . . A . 417 ASP OD1 . . . . . . . . . c16596_2kqe 1 . 1 . 171 . 1 1 55 ASP OD2 O 4.965 -9.797 -8.942 . . . 1.0 . . . . . . . . . . . . A . 417 ASP OD2 . . . . . . . . . c16596_2kqe 1 . 1 . 172 . 1 1 56 ARG C C 2.143 -8.506 -3.388 . . . 1.0 . . . . . . . . . . . . A . 418 ARG C . . . . . . . . . c16596_2kqe 1 . 1 . 173 . 1 1 56 ARG CA C 1.840 -7.814 -4.737 . . . 1.0 . . . . . . . . . . . . A . 418 ARG CA . . . . . . . . . c16596_2kqe 1 . 1 . 174 . 1 1 56 ARG CB C 0.570 -6.964 -4.632 . . . 1.0 . . . . . . . . . . . . A . 418 ARG CB . . . . . . . . . c16596_2kqe 1 . 1 . 175 . 1 1 56 ARG CD C 0.862 -4.908 -6.029 . . . 1.0 . . . . . . . . . . . . A . 418 ARG CD . . . . . . . . . c16596_2kqe 1 . 1 . 176 . 1 1 56 ARG CG C 0.255 -6.311 -5.984 . . . 1.0 . . . . . . . . . . . . A . 418 ARG CG . . . . . . . . . c16596_2kqe 1 . 1 . 177 . 1 1 56 ARG CZ C 1.261 -4.881 -8.457 . . . 1.0 . . . . . . . . . . . . A . 418 ARG CZ . . . . . . . . . c16596_2kqe 1 . 1 . 178 . 1 1 56 ARG H H 0.810 -9.467 -5.664 . . . 1.0 . . . . . . . . . . . . A . 418 ARG H . . . . . . . . . c16596_2kqe 1 . 1 . 179 . 1 1 56 ARG HA H 2.669 -7.196 -5.042 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HA . . . . . . . . . c16596_2kqe 1 . 1 . 180 . 1 1 56 ARG HB2 H -0.257 -7.593 -4.337 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 181 . 1 1 56 ARG HB3 H 0.717 -6.194 -3.890 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 182 . 1 1 56 ARG HD2 H 0.384 -4.271 -5.298 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HD2 . . . . . . . . . c16596_2kqe 1 . 1 . 183 . 1 1 56 ARG HD3 H 1.925 -4.954 -5.853 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HD3 . . . . . . . . . c16596_2kqe 1 . 1 . 184 . 1 1 56 ARG HE H -0.097 -3.726 -7.549 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HE . . . . . . . . . c16596_2kqe 1 . 1 . 185 . 1 1 56 ARG HG2 H 0.671 -6.908 -6.782 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 186 . 1 1 56 ARG HG3 H -0.814 -6.241 -6.108 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 187 . 1 1 56 ARG HH11 H 2.411 -6.165 -7.416 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HH11 . . . . . . . . . c16596_2kqe 1 . 1 . 188 . 1 1 56 ARG HH12 H 2.679 -6.135 -9.123 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HH12 . . . . . . . . . c16596_2kqe 1 . 1 . 189 . 1 1 56 ARG HH21 H 0.294 -3.723 -9.778 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HH21 . . . . . . . . . c16596_2kqe 1 . 1 . 190 . 1 1 56 ARG HH22 H 1.500 -4.772 -10.445 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HH22 . . . . . . . . . c16596_2kqe 1 . 1 . 191 . 1 1 56 ARG N N 1.543 -8.825 -5.796 . . . 1.0 . . . . . . . . . . . . A . 418 ARG N . . . . . . . . . c16596_2kqe 1 . 1 . 192 . 1 1 56 ARG NE N 0.592 -4.413 -7.414 . . . 1.0 . . . . . . . . . . . . A . 418 ARG NE . . . . . . . . . c16596_2kqe 1 . 1 . 193 . 1 1 56 ARG NH1 N 2.190 -5.799 -8.318 . . . 1.0 . . . . . . . . . . . . A . 418 ARG NH1 . . . . . . . . . c16596_2kqe 1 . 1 . 194 . 1 1 56 ARG NH2 N 0.998 -4.422 -9.654 . . . 1.0 . . . . . . . . . . . . A . 418 ARG NH2 . . . . . . . . . c16596_2kqe 1 . 1 . 195 . 1 1 56 ARG O O 1.536 -9.508 -3.066 . . . 1.0 . . . . . . . . . . . . A . 418 ARG O . . . . . . . . . c16596_2kqe 1 . 1 . 196 . 1 1 57 PRO C C 2.395 -8.210 -0.238 . . . 1.0 . . . . . . . . . . . . A . 419 PRO C . . . . . . . . . c16596_2kqe 1 . 1 . 197 . 1 1 57 PRO CA C 3.454 -8.533 -1.326 . . . 1.0 . . . . . . . . . . . . A . 419 PRO CA . . . . . . . . . c16596_2kqe 1 . 1 . 198 . 1 1 57 PRO CB C 4.820 -7.908 -1.031 . . . 1.0 . . . . . . . . . . . . A . 419 PRO CB . . . . . . . . . c16596_2kqe 1 . 1 . 199 . 1 1 57 PRO CD C 3.867 -6.750 -2.943 . . . 1.0 . . . . . . . . . . . . A . 419 PRO CD . . . . . . . . . c16596_2kqe 1 . 1 . 200 . 1 1 57 PRO CG C 4.850 -6.625 -1.805 . . . 1.0 . . . . . . . . . . . . A . 419 PRO CG . . . . . . . . . c16596_2kqe 1 . 1 . 201 . 1 1 57 PRO HA H 3.564 -9.600 -1.419 . . . 1.0 . . . . . . . . . . . . A . 419 PRO HA . . . . . . . . . c16596_2kqe 1 . 1 . 202 . 1 1 57 PRO HB2 H 4.925 -7.715 0.027 . . . 1.0 . . . . . . . . . . . . A . 419 PRO HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 203 . 1 1 57 PRO HB3 H 5.609 -8.560 -1.372 . . . 1.0 . . . . . . . . . . . . A . 419 PRO HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 204 . 1 1 57 PRO HD2 H 3.222 -5.888 -2.983 . . . 1.0 . . . . . . . . . . . . A . 419 PRO HD2 . . . . . . . . . c16596_2kqe 1 . 1 . 205 . 1 1 57 PRO HD3 H 4.388 -6.878 -3.879 . . . 1.0 . . . . . . . . . . . . A . 419 PRO HD3 . . . . . . . . . c16596_2kqe 1 . 1 . 206 . 1 1 57 PRO HG2 H 4.573 -5.799 -1.166 . . . 1.0 . . . . . . . . . . . . A . 419 PRO HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 207 . 1 1 57 PRO HG3 H 5.840 -6.462 -2.202 . . . 1.0 . . . . . . . . . . . . A . 419 PRO HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 208 . 1 1 57 PRO N N 3.080 -7.949 -2.639 . . . 1.0 . . . . . . . . . . . . A . 419 PRO N . . . . . . . . . c16596_2kqe 1 . 1 . 209 . 1 1 57 PRO O O 1.483 -8.985 -0.045 . . . 1.0 . . . . . . . . . . . . A . 419 PRO O . . . . . . . . . c16596_2kqe 1 . 1 . 210 . 1 1 58 GLU C C 1.859 -5.475 2.305 . . . 1.0 . . . . . . . . . . . . A . 420 GLU C . . . . . . . . . c16596_2kqe 1 . 1 . 211 . 1 1 58 GLU CA C 1.462 -6.760 1.544 . . . 1.0 . . . . . . . . . . . . A . 420 GLU CA . . . . . . . . . c16596_2kqe 1 . 1 . 212 . 1 1 58 GLU CB C 1.447 -7.942 2.537 . . . 1.0 . . . . . . . . . . . . A . 420 GLU CB . . . . . . . . . c16596_2kqe 1 . 1 . 213 . 1 1 58 GLU CD C 2.949 -8.344 4.512 . . . 1.0 . . . . . . . . . . . . A . 420 GLU CD . . . . . . . . . c16596_2kqe 1 . 1 . 214 . 1 1 58 GLU CG C 2.879 -8.284 2.983 . . . 1.0 . . . . . . . . . . . . A . 420 GLU CG . . . . . . . . . c16596_2kqe 1 . 1 . 215 . 1 1 58 GLU H H 3.214 -6.458 0.319 . . . 1.0 . . . . . . . . . . . . A . 420 GLU H . . . . . . . . . c16596_2kqe 1 . 1 . 216 . 1 1 58 GLU HA H 0.486 -6.642 1.099 . . . 1.0 . . . . . . . . . . . . A . 420 GLU HA . . . . . . . . . c16596_2kqe 1 . 1 . 217 . 1 1 58 GLU HB2 H 0.858 -7.667 3.400 . . . 1.0 . . . . . . . . . . . . A . 420 GLU HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 218 . 1 1 58 GLU HB3 H 1.003 -8.805 2.068 . . . 1.0 . . . . . . . . . . . . A . 420 GLU HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 219 . 1 1 58 GLU HG2 H 3.162 -9.242 2.573 . . . 1.0 . . . . . . . . . . . . A . 420 GLU HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 220 . 1 1 58 GLU HG3 H 3.560 -7.526 2.625 . . . 1.0 . . . . . . . . . . . . A . 420 GLU HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 221 . 1 1 58 GLU N N 2.489 -7.090 0.476 . . . 1.0 . . . . . . . . . . . . A . 420 GLU N . . . . . . . . . c16596_2kqe 1 . 1 . 222 . 1 1 58 GLU O O 2.758 -5.497 3.125 . . . 1.0 . . . . . . . . . . . . A . 420 GLU O . . . . . . . . . c16596_2kqe 1 . 1 . 223 . 1 1 58 GLU OE1 O 2.311 -7.521 5.147 . . . 1.0 . . . . . . . . . . . . A . 420 GLU OE1 . . . . . . . . . c16596_2kqe 1 . 1 . 224 . 1 1 58 GLU OE2 O 3.638 -9.213 5.019 . . . 1.0 . . . . . . . . . . . . A . 420 GLU OE2 . . . . . . . . . c16596_2kqe 1 . 1 . 225 . 1 1 59 CYS C C 1.435 -3.310 4.310 . . . 1.0 . . . . . . . . . . . . A . 421 CYS C . . . . . . . . . c16596_2kqe 1 . 1 . 226 . 1 1 59 CYS CA C 1.562 -3.090 2.790 . . . 1.0 . . . . . . . . . . . . A . 421 CYS CA . . . . . . . . . c16596_2kqe 1 . 1 . 227 . 1 1 59 CYS CB C 0.545 -2.026 2.329 . . . 1.0 . . . . . . . . . . . . A . 421 CYS CB . . . . . . . . . c16596_2kqe 1 . 1 . 228 . 1 1 59 CYS H H 0.470 -4.351 1.394 . . . 1.0 . . . . . . . . . . . . A . 421 CYS H . . . . . . . . . c16596_2kqe 1 . 1 . 229 . 1 1 59 CYS HA H 2.561 -2.780 2.532 . . . 1.0 . . . . . . . . . . . . A . 421 CYS HA . . . . . . . . . c16596_2kqe 1 . 1 . 230 . 1 1 59 CYS HB2 H 0.607 -1.914 1.258 . . . 1.0 . . . . . . . . . . . . A . 421 CYS HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 231 . 1 1 59 CYS HB3 H -0.451 -2.346 2.598 . . . 1.0 . . . . . . . . . . . . A . 421 CYS HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 232 . 1 1 59 CYS N N 1.200 -4.359 2.054 . . . 1.0 . . . . . . . . . . . . A . 421 CYS N . . . . . . . . . c16596_2kqe 1 . 1 . 233 . 1 1 59 CYS O O 0.491 -3.931 4.756 . . . 1.0 . . . . . . . . . . . . A . 421 CYS O . . . . . . . . . c16596_2kqe 1 . 1 . 234 . 1 1 59 CYS SG S 0.899 -0.435 3.118 . . . 1.0 . . . . . . . . . . . . A . 421 CYS SG . . . . . . . . . c16596_2kqe 1 . 1 . 235 . 1 1 60 PRO C C 1.127 -2.136 7.109 . . . 1.0 . . . . . . . . . . . . A . 422 PRO C . . . . . . . . . c16596_2kqe 1 . 1 . 236 . 1 1 60 PRO CA C 2.315 -2.934 6.545 . . . 1.0 . . . . . . . . . . . . A . 422 PRO CA . . . . . . . . . c16596_2kqe 1 . 1 . 237 . 1 1 60 PRO CB C 3.646 -2.356 7.024 . . . 1.0 . . . . . . . . . . . . A . 422 PRO CB . . . . . . . . . c16596_2kqe 1 . 1 . 238 . 1 1 60 PRO CD C 3.563 -2.014 4.652 . . . 1.0 . . . . . . . . . . . . A . 422 PRO CD . . . . . . . . . c16596_2kqe 1 . 1 . 239 . 1 1 60 PRO CG C 4.063 -1.419 5.939 . . . 1.0 . . . . . . . . . . . . A . 422 PRO CG . . . . . . . . . c16596_2kqe 1 . 1 . 240 . 1 1 60 PRO HA H 2.241 -3.974 6.820 . . . 1.0 . . . . . . . . . . . . A . 422 PRO HA . . . . . . . . . c16596_2kqe 1 . 1 . 241 . 1 1 60 PRO HB2 H 3.510 -1.824 7.956 . . . 1.0 . . . . . . . . . . . . A . 422 PRO HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 242 . 1 1 60 PRO HB3 H 4.379 -3.140 7.138 . . . 1.0 . . . . . . . . . . . . A . 422 PRO HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 243 . 1 1 60 PRO HD2 H 3.294 -1.233 3.955 . . . 1.0 . . . . . . . . . . . . A . 422 PRO HD2 . . . . . . . . . c16596_2kqe 1 . 1 . 244 . 1 1 60 PRO HD3 H 4.302 -2.672 4.223 . . . 1.0 . . . . . . . . . . . . A . 422 PRO HD3 . . . . . . . . . c16596_2kqe 1 . 1 . 245 . 1 1 60 PRO HG2 H 3.618 -0.446 6.100 . . . 1.0 . . . . . . . . . . . . A . 422 PRO HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 246 . 1 1 60 PRO HG3 H 5.138 -1.337 5.910 . . . 1.0 . . . . . . . . . . . . A . 422 PRO HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 247 . 1 1 60 PRO N N 2.376 -2.783 5.068 . . . 1.0 . . . . . . . . . . . . A . 422 PRO N . . . . . . . . . c16596_2kqe 1 . 1 . 248 . 1 1 60 PRO O O 0.461 -2.581 8.025 . . . 1.0 . . . . . . . . . . . . A . 422 PRO O . . . . . . . . . c16596_2kqe 1 . 1 . 249 . 1 1 61 TYR C C -1.630 -0.966 6.936 . . . 1.0 . . . . . . . . . . . . A . 423 TYR C . . . . . . . . . c16596_2kqe 1 . 1 . 250 . 1 1 61 TYR CA C -0.325 -0.162 7.085 . . . 1.0 . . . . . . . . . . . . A . 423 TYR CA . . . . . . . . . c16596_2kqe 1 . 1 . 251 . 1 1 61 TYR CB C -0.381 1.126 6.237 . . . 1.0 . . . . . . . . . . . . A . 423 TYR CB . . . . . . . . . c16596_2kqe 1 . 1 . 252 . 1 1 61 TYR CD1 C 1.412 2.136 7.733 . . . 1.0 . . . . . . . . . . . . A . 423 TYR CD1 . . . . . . . . . c16596_2kqe 1 . 1 . 253 . 1 1 61 TYR CD2 C 1.561 2.466 5.290 . . . 1.0 . . . . . . . . . . . . A . 423 TYR CD2 . . . . . . . . . c16596_2kqe 1 . 1 . 254 . 1 1 61 TYR CE1 C 2.598 2.896 7.910 . . . 1.0 . . . . . . . . . . . . A . 423 TYR CE1 . . . . . . . . . c16596_2kqe 1 . 1 . 255 . 1 1 61 TYR CE2 C 2.747 3.229 5.473 . . . 1.0 . . . . . . . . . . . . A . 423 TYR CE2 . . . . . . . . . c16596_2kqe 1 . 1 . 256 . 1 1 61 TYR CG C 0.893 1.916 6.422 . . . 1.0 . . . . . . . . . . . . A . 423 TYR CG . . . . . . . . . c16596_2kqe 1 . 1 . 257 . 1 1 61 TYR CZ C 3.264 3.441 6.783 . . . 1.0 . . . . . . . . . . . . A . 423 TYR CZ . . . . . . . . . c16596_2kqe 1 . 1 . 258 . 1 1 61 TYR H H 1.384 -0.619 5.816 . . . 1.0 . . . . . . . . . . . . A . 423 TYR H . . . . . . . . . c16596_2kqe 1 . 1 . 259 . 1 1 61 TYR HA H -0.166 0.092 8.122 . . . 1.0 . . . . . . . . . . . . A . 423 TYR HA . . . . . . . . . c16596_2kqe 1 . 1 . 260 . 1 1 61 TYR HB2 H -0.492 0.868 5.195 . . . 1.0 . . . . . . . . . . . . A . 423 TYR HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 261 . 1 1 61 TYR HB3 H -1.219 1.732 6.547 . . . 1.0 . . . . . . . . . . . . A . 423 TYR HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 262 . 1 1 61 TYR HD1 H 0.906 1.719 8.590 . . . 1.0 . . . . . . . . . . . . A . 423 TYR HD1 . . . . . . . . . c16596_2kqe 1 . 1 . 263 . 1 1 61 TYR HD2 H 1.169 2.303 4.289 . . . 1.0 . . . . . . . . . . . . A . 423 TYR HD2 . . . . . . . . . c16596_2kqe 1 . 1 . 264 . 1 1 61 TYR HE1 H 2.986 3.078 8.907 . . . 1.0 . . . . . . . . . . . . A . 423 TYR HE1 . . . . . . . . . c16596_2kqe 1 . 1 . 265 . 1 1 61 TYR HE2 H 3.247 3.662 4.618 . . . 1.0 . . . . . . . . . . . . A . 423 TYR HE2 . . . . . . . . . c16596_2kqe 1 . 1 . 266 . 1 1 61 TYR HH H 5.112 3.565 7.228 . . . 1.0 . . . . . . . . . . . . A . 423 TYR HH . . . . . . . . . c16596_2kqe 1 . 1 . 267 . 1 1 61 TYR N N 0.843 -0.966 6.566 . . . 1.0 . . . . . . . . . . . . A . 423 TYR N . . . . . . . . . c16596_2kqe 1 . 1 . 268 . 1 1 61 TYR O O -2.391 -1.090 7.877 . . . 1.0 . . . . . . . . . . . . A . 423 TYR O . . . . . . . . . c16596_2kqe 1 . 1 . 269 . 1 1 61 TYR OH O 4.416 4.170 6.964 . . . 1.0 . . . . . . . . . . . . A . 423 TYR OH . . . . . . . . . c16596_2kqe 1 . 1 . 270 . 1 1 62 GLY C C -4.330 -1.425 5.229 . . . 1.0 . . . . . . . . . . . . A . 424 GLY C . . . . . . . . . c16596_2kqe 1 . 1 . 271 . 1 1 62 GLY CA C -3.139 -2.336 5.589 . . . 1.0 . . . . . . . . . . . . A . 424 GLY CA . . . . . . . . . c16596_2kqe 1 . 1 . 272 . 1 1 62 GLY H H -1.260 -1.434 5.023 . . . 1.0 . . . . . . . . . . . . A . 424 GLY H . . . . . . . . . c16596_2kqe 1 . 1 . 273 . 1 1 62 GLY HA2 H -2.984 -3.053 4.794 . . . 1.0 . . . . . . . . . . . . A . 424 GLY HA2 . . . . . . . . . c16596_2kqe 1 . 1 . 274 . 1 1 62 GLY HA3 H -3.351 -2.861 6.505 . . . 1.0 . . . . . . . . . . . . A . 424 GLY HA3 . . . . . . . . . c16596_2kqe 1 . 1 . 275 . 1 1 62 GLY N N -1.891 -1.528 5.770 . . . 1.0 . . . . . . . . . . . . A . 424 GLY N . . . . . . . . . c16596_2kqe 1 . 1 . 276 . 1 1 62 GLY O O -4.196 -0.545 4.403 . . . 1.0 . . . . . . . . . . . . A . 424 GLY O . . . . . . . . . c16596_2kqe 1 . 1 . 277 . 1 1 63 PRO C C -6.499 0.601 6.040 . . . 1.0 . . . . . . . . . . . . A . 425 PRO C . . . . . . . . . c16596_2kqe 1 . 1 . 278 . 1 1 63 PRO CA C -6.685 -0.850 5.562 . . . 1.0 . . . . . . . . . . . . A . 425 PRO CA . . . . . . . . . c16596_2kqe 1 . 1 . 279 . 1 1 63 PRO CB C -7.792 -1.552 6.347 . . . 1.0 . . . . . . . . . . . . A . 425 PRO CB . . . . . . . . . c16596_2kqe 1 . 1 . 280 . 1 1 63 PRO CD C -5.751 -2.695 6.871 . . . 1.0 . . . . . . . . . . . . A . 425 PRO CD . . . . . . . . . c16596_2kqe 1 . 1 . 281 . 1 1 63 PRO CG C -7.082 -2.282 7.437 . . . 1.0 . . . . . . . . . . . . A . 425 PRO CG . . . . . . . . . c16596_2kqe 1 . 1 . 282 . 1 1 63 PRO HA H -6.911 -0.873 4.508 . . . 1.0 . . . . . . . . . . . . A . 425 PRO HA . . . . . . . . . c16596_2kqe 1 . 1 . 283 . 1 1 63 PRO HB2 H -8.478 -0.826 6.760 . . . 1.0 . . . . . . . . . . . . A . 425 PRO HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 284 . 1 1 63 PRO HB3 H -8.317 -2.251 5.715 . . . 1.0 . . . . . . . . . . . . A . 425 PRO HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 285 . 1 1 63 PRO HD2 H -4.992 -2.686 7.642 . . . 1.0 . . . . . . . . . . . . A . 425 PRO HD2 . . . . . . . . . c16596_2kqe 1 . 1 . 286 . 1 1 63 PRO HD3 H -5.818 -3.668 6.411 . . . 1.0 . . . . . . . . . . . . A . 425 PRO HD3 . . . . . . . . . c16596_2kqe 1 . 1 . 287 . 1 1 63 PRO HG2 H -6.941 -1.631 8.289 . . . 1.0 . . . . . . . . . . . . A . 425 PRO HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 288 . 1 1 63 PRO HG3 H -7.642 -3.158 7.726 . . . 1.0 . . . . . . . . . . . . A . 425 PRO HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 289 . 1 1 63 PRO N N -5.472 -1.668 5.852 . . . 1.0 . . . . . . . . . . . . A . 425 PRO N . . . . . . . . . c16596_2kqe 1 . 1 . 290 . 1 1 63 PRO O O -6.989 1.523 5.416 . . . 1.0 . . . . . . . . . . . . A . 425 PRO O . . . . . . . . . c16596_2kqe 1 . 1 . 291 . 1 1 64 SER C C -4.356 2.857 6.990 . . . 1.0 . . . . . . . . . . . . A . 426 SER C . . . . . . . . . c16596_2kqe 1 . 1 . 292 . 1 1 64 SER CA C -5.603 2.229 7.640 . . . 1.0 . . . . . . . . . . . . A . 426 SER CA . . . . . . . . . c16596_2kqe 1 . 1 . 293 . 1 1 64 SER CB C -5.413 2.115 9.161 . . . 1.0 . . . . . . . . . . . . A . 426 SER CB . . . . . . . . . c16596_2kqe 1 . 1 . 294 . 1 1 64 SER H H -5.432 0.067 7.637 . . . 1.0 . . . . . . . . . . . . A . 426 SER H . . . . . . . . . c16596_2kqe 1 . 1 . 295 . 1 1 64 SER HA H -6.474 2.827 7.425 . . . 1.0 . . . . . . . . . . . . A . 426 SER HA . . . . . . . . . c16596_2kqe 1 . 1 . 296 . 1 1 64 SER HB2 H -5.907 1.228 9.522 . . . 1.0 . . . . . . . . . . . . A . 426 SER HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 297 . 1 1 64 SER HB3 H -4.357 2.052 9.386 . . . 1.0 . . . . . . . . . . . . A . 426 SER HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 298 . 1 1 64 SER HG H -5.754 3.216 10.728 . . . 1.0 . . . . . . . . . . . . A . 426 SER HG . . . . . . . . . c16596_2kqe 1 . 1 . 299 . 1 1 64 SER N N -5.803 0.821 7.139 . . . 1.0 . . . . . . . . . . . . A . 426 SER N . . . . . . . . . c16596_2kqe 1 . 1 . 300 . 1 1 64 SER O O -3.488 3.370 7.672 . . . 1.0 . . . . . . . . . . . . A . 426 SER O . . . . . . . . . c16596_2kqe 1 . 1 . 301 . 1 1 64 SER OG O -5.979 3.254 9.795 . . . 1.0 . . . . . . . . . . . . A . 426 SER OG . . . . . . . . . c16596_2kqe 1 . 1 . 302 . 1 1 65 CYS C C -3.330 4.864 4.580 . . . 1.0 . . . . . . . . . . . . A . 427 CYS C . . . . . . . . . c16596_2kqe 1 . 1 . 303 . 1 1 65 CYS CA C -3.062 3.401 4.989 . . . 1.0 . . . . . . . . . . . . A . 427 CYS CA . . . . . . . . . c16596_2kqe 1 . 1 . 304 . 1 1 65 CYS CB C -2.826 2.533 3.747 . . . 1.0 . . . . . . . . . . . . A . 427 CYS CB . . . . . . . . . c16596_2kqe 1 . 1 . 305 . 1 1 65 CYS H H -4.952 2.391 5.148 . . . 1.0 . . . . . . . . . . . . A . 427 CYS H . . . . . . . . . c16596_2kqe 1 . 1 . 306 . 1 1 65 CYS HA H -2.199 3.347 5.636 . . . 1.0 . . . . . . . . . . . . A . 427 CYS HA . . . . . . . . . c16596_2kqe 1 . 1 . 307 . 1 1 65 CYS HB2 H -2.949 1.490 4.003 . . . 1.0 . . . . . . . . . . . . A . 427 CYS HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 308 . 1 1 65 CYS HB3 H -3.531 2.804 2.976 . . . 1.0 . . . . . . . . . . . . A . 427 CYS HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 309 . 1 1 65 CYS N N -4.255 2.815 5.677 . . . 1.0 . . . . . . . . . . . . A . 427 CYS N . . . . . . . . . c16596_2kqe 1 . 1 . 310 . 1 1 65 CYS O O -3.987 5.132 3.593 . . . 1.0 . . . . . . . . . . . . A . 427 CYS O . . . . . . . . . c16596_2kqe 1 . 1 . 311 . 1 1 65 CYS SG S -1.149 2.817 3.156 . . . 1.0 . . . . . . . . . . . . A . 427 CYS SG . . . . . . . . . c16596_2kqe 1 . 1 . 312 . 1 1 66 TYR C C -2.126 7.779 3.863 . . . 1.0 . . . . . . . . . . . . A . 428 TYR C . . . . . . . . . c16596_2kqe 1 . 1 . 313 . 1 1 66 TYR CA C -3.047 7.271 5.020 . . . 1.0 . . . . . . . . . . . . A . 428 TYR CA . . . . . . . . . c16596_2kqe 1 . 1 . 314 . 1 1 66 TYR CB C -2.794 8.047 6.371 . . . 1.0 . . . . . . . . . . . . A . 428 TYR CB . . . . . . . . . c16596_2kqe 1 . 1 . 315 . 1 1 66 TYR CD1 C -1.688 10.256 5.774 . . . 1.0 . . . . . . . . . . . . A . 428 TYR CD1 . . . . . . . . . c16596_2kqe 1 . 1 . 316 . 1 1 66 TYR CD2 C -0.277 8.467 6.721 . . . 1.0 . . . . . . . . . . . . A . 428 TYR CD2 . . . . . . . . . c16596_2kqe 1 . 1 . 317 . 1 1 66 TYR CE1 C -0.550 11.095 5.666 . . . 1.0 . . . . . . . . . . . . A . 428 TYR CE1 . . . . . . . . . c16596_2kqe 1 . 1 . 318 . 1 1 66 TYR CE2 C 0.852 9.305 6.601 . . . 1.0 . . . . . . . . . . . . A . 428 TYR CE2 . . . . . . . . . c16596_2kqe 1 . 1 . 319 . 1 1 66 TYR CG C -1.561 8.943 6.304 . . . 1.0 . . . . . . . . . . . . A . 428 TYR CG . . . . . . . . . c16596_2kqe 1 . 1 . 320 . 1 1 66 TYR CZ C 0.722 10.619 6.077 . . . 1.0 . . . . . . . . . . . . A . 428 TYR CZ . . . . . . . . . c16596_2kqe 1 . 1 . 321 . 1 1 66 TYR H H -2.316 5.562 6.133 . . . 1.0 . . . . . . . . . . . . A . 428 TYR H . . . . . . . . . c16596_2kqe 1 . 1 . 322 . 1 1 66 TYR HA H -4.076 7.412 4.730 . . . 1.0 . . . . . . . . . . . . A . 428 TYR HA . . . . . . . . . c16596_2kqe 1 . 1 . 323 . 1 1 66 TYR HB2 H -3.654 8.663 6.584 . . . 1.0 . . . . . . . . . . . . A . 428 TYR HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 324 . 1 1 66 TYR HB3 H -2.670 7.338 7.175 . . . 1.0 . . . . . . . . . . . . A . 428 TYR HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 325 . 1 1 66 TYR HD1 H -2.656 10.618 5.462 . . . 1.0 . . . . . . . . . . . . A . 428 TYR HD1 . . . . . . . . . c16596_2kqe 1 . 1 . 326 . 1 1 66 TYR HD2 H -0.154 7.474 7.139 . . . 1.0 . . . . . . . . . . . . A . 428 TYR HD2 . . . . . . . . . c16596_2kqe 1 . 1 . 327 . 1 1 66 TYR HE1 H -0.650 12.093 5.266 . . . 1.0 . . . . . . . . . . . . A . 428 TYR HE1 . . . . . . . . . c16596_2kqe 1 . 1 . 328 . 1 1 66 TYR HE2 H 1.811 8.941 6.906 . . . 1.0 . . . . . . . . . . . . A . 428 TYR HE2 . . . . . . . . . c16596_2kqe 1 . 1 . 329 . 1 1 66 TYR HH H 2.185 11.322 5.072 . . . 1.0 . . . . . . . . . . . . A . 428 TYR HH . . . . . . . . . c16596_2kqe 1 . 1 . 330 . 1 1 66 TYR N N -2.826 5.810 5.343 . . . 1.0 . . . . . . . . . . . . A . 428 TYR N . . . . . . . . . c16596_2kqe 1 . 1 . 331 . 1 1 66 TYR O O -2.224 8.931 3.481 . . . 1.0 . . . . . . . . . . . . A . 428 TYR O . . . . . . . . . c16596_2kqe 1 . 1 . 332 . 1 1 66 TYR OH O 1.832 11.429 5.960 . . . 1.0 . . . . . . . . . . . . A . 428 TYR OH . . . . . . . . . c16596_2kqe 1 . 1 . 333 . 1 1 67 ARG C C -0.956 7.086 0.813 . . . 1.0 . . . . . . . . . . . . A . 429 ARG C . . . . . . . . . c16596_2kqe 1 . 1 . 334 . 1 1 67 ARG CA C -0.384 7.485 2.181 . . . 1.0 . . . . . . . . . . . . A . 429 ARG CA . . . . . . . . . c16596_2kqe 1 . 1 . 335 . 1 1 67 ARG CB C 1.030 6.904 2.396 . . . 1.0 . . . . . . . . . . . . A . 429 ARG CB . . . . . . . . . c16596_2kqe 1 . 1 . 336 . 1 1 67 ARG CD C 2.463 4.846 2.484 . . . 1.0 . . . . . . . . . . . . A . 429 ARG CD . . . . . . . . . c16596_2kqe 1 . 1 . 337 . 1 1 67 ARG CG C 1.067 5.392 2.144 . . . 1.0 . . . . . . . . . . . . A . 429 ARG CG . . . . . . . . . c16596_2kqe 1 . 1 . 338 . 1 1 67 ARG CZ C 4.432 4.447 1.047 . . . 1.0 . . . . . . . . . . . . A . 429 ARG CZ . . . . . . . . . c16596_2kqe 1 . 1 . 339 . 1 1 67 ARG H H -1.186 6.035 3.576 . . . 1.0 . . . . . . . . . . . . A . 429 ARG H . . . . . . . . . c16596_2kqe 1 . 1 . 340 . 1 1 67 ARG HA H -0.336 8.562 2.243 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HA . . . . . . . . . c16596_2kqe 1 . 1 . 341 . 1 1 67 ARG HB2 H 1.710 7.383 1.711 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 342 . 1 1 67 ARG HB3 H 1.346 7.103 3.408 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 343 . 1 1 67 ARG HD2 H 2.840 5.322 3.380 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HD2 . . . . . . . . . c16596_2kqe 1 . 1 . 344 . 1 1 67 ARG HD3 H 2.413 3.778 2.625 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HD3 . . . . . . . . . c16596_2kqe 1 . 1 . 345 . 1 1 67 ARG HE H 3.128 5.929 0.722 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HE . . . . . . . . . c16596_2kqe 1 . 1 . 346 . 1 1 67 ARG HG2 H 0.341 4.909 2.765 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 347 . 1 1 67 ARG HG3 H 0.848 5.192 1.107 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 348 . 1 1 67 ARG HH11 H 4.259 3.199 2.620 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HH11 . . . . . . . . . c16596_2kqe 1 . 1 . 349 . 1 1 67 ARG HH12 H 5.614 2.918 1.588 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HH12 . . . . . . . . . c16596_2kqe 1 . 1 . 350 . 1 1 67 ARG HH21 H 4.921 5.514 -0.578 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HH21 . . . . . . . . . c16596_2kqe 1 . 1 . 351 . 1 1 67 ARG HH22 H 5.990 4.207 -0.193 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HH22 . . . . . . . . . c16596_2kqe 1 . 1 . 352 . 1 1 67 ARG N N -1.253 6.964 3.294 . . . 1.0 . . . . . . . . . . . . A . 429 ARG N . . . . . . . . . c16596_2kqe 1 . 1 . 353 . 1 1 67 ARG NE N 3.350 5.169 1.308 . . . 1.0 . . . . . . . . . . . . A . 429 ARG NE . . . . . . . . . c16596_2kqe 1 . 1 . 354 . 1 1 67 ARG NH1 N 4.794 3.443 1.814 . . . 1.0 . . . . . . . . . . . . A . 429 ARG NH1 . . . . . . . . . c16596_2kqe 1 . 1 . 355 . 1 1 67 ARG NH2 N 5.173 4.746 0.011 . . . 1.0 . . . . . . . . . . . . A . 429 ARG NH2 . . . . . . . . . c16596_2kqe 1 . 1 . 356 . 1 1 67 ARG O O -1.446 5.987 0.636 . . . 1.0 . . . . . . . . . . . . A . 429 ARG O . . . . . . . . . c16596_2kqe 1 . 1 . 357 . 1 1 68 LYS C C -0.417 7.999 -2.592 . . . 1.0 . . . . . . . . . . . . A . 430 LYS C . . . . . . . . . c16596_2kqe 1 . 1 . 358 . 1 1 68 LYS CA C -1.447 7.656 -1.504 . . . 1.0 . . . . . . . . . . . . A . 430 LYS CA . . . . . . . . . c16596_2kqe 1 . 1 . 359 . 1 1 68 LYS CB C -2.689 8.537 -1.646 . . . 1.0 . . . . . . . . . . . . A . 430 LYS CB . . . . . . . . . c16596_2kqe 1 . 1 . 360 . 1 1 68 LYS CD C -4.414 8.923 -3.415 . . . 1.0 . . . . . . . . . . . . A . 430 LYS CD . . . . . . . . . c16596_2kqe 1 . 1 . 361 . 1 1 68 LYS CE C -3.666 9.136 -4.735 . . . 1.0 . . . . . . . . . . . . A . 430 LYS CE . . . . . . . . . c16596_2kqe 1 . 1 . 362 . 1 1 68 LYS CG C -3.694 7.860 -2.582 . . . 1.0 . . . . . . . . . . . . A . 430 LYS CG . . . . . . . . . c16596_2kqe 1 . 1 . 363 . 1 1 68 LYS H H -0.508 8.864 0.005 . . . 1.0 . . . . . . . . . . . . A . 430 LYS H . . . . . . . . . c16596_2kqe 1 . 1 . 364 . 1 1 68 LYS HA H -1.724 6.615 -1.561 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HA . . . . . . . . . c16596_2kqe 1 . 1 . 365 . 1 1 68 LYS HB2 H -3.141 8.682 -0.675 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 366 . 1 1 68 LYS HB3 H -2.405 9.495 -2.057 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 367 . 1 1 68 LYS HD2 H -5.423 8.594 -3.621 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HD2 . . . . . . . . . c16596_2kqe 1 . 1 . 368 . 1 1 68 LYS HD3 H -4.443 9.852 -2.865 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HD3 . . . . . . . . . c16596_2kqe 1 . 1 . 369 . 1 1 68 LYS HE2 H -2.657 8.753 -4.661 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HE2 . . . . . . . . . c16596_2kqe 1 . 1 . 370 . 1 1 68 LYS HE3 H -4.192 8.659 -5.547 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HE3 . . . . . . . . . c16596_2kqe 1 . 1 . 371 . 1 1 68 LYS HG2 H -3.172 7.179 -3.239 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 372 . 1 1 68 LYS HG3 H -4.417 7.313 -1.997 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 373 . 1 1 68 LYS HZ1 H -3.124 10.840 -5.800 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HZ1 . . . . . . . . . c16596_2kqe 1 . 1 . 374 . 1 1 68 LYS HZ2 H -3.190 11.066 -4.117 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HZ2 . . . . . . . . . c16596_2kqe 1 . 1 . 375 . 1 1 68 LYS HZ3 H -4.626 10.961 -5.020 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HZ3 . . . . . . . . . c16596_2kqe 1 . 1 . 376 . 1 1 68 LYS N N -0.902 7.979 -0.155 . . . 1.0 . . . . . . . . . . . . A . 430 LYS N . . . . . . . . . c16596_2kqe 1 . 1 . 377 . 1 1 68 LYS NZ N -3.651 10.612 -4.933 . . . 1.0 . . . . . . . . . . . . A . 430 LYS NZ . . . . . . . . . c16596_2kqe 1 . 1 . 378 . 1 1 68 LYS O O -0.518 9.025 -3.240 . . . 1.0 . . . . . . . . . . . . A . 430 LYS O . . . . . . . . . c16596_2kqe 1 . 1 . 379 . 1 1 69 ASN C C 1.305 6.563 -5.096 . . . 1.0 . . . . . . . . . . . . A . 431 ASN C . . . . . . . . . c16596_2kqe 1 . 1 . 380 . 1 1 69 ASN CA C 1.583 7.439 -3.867 . . . 1.0 . . . . . . . . . . . . A . 431 ASN CA . . . . . . . . . c16596_2kqe 1 . 1 . 381 . 1 1 69 ASN CB C 2.940 7.083 -3.249 . . . 1.0 . . . . . . . . . . . . A . 431 ASN CB . . . . . . . . . c16596_2kqe 1 . 1 . 382 . 1 1 69 ASN CG C 3.520 8.313 -2.540 . . . 1.0 . . . . . . . . . . . . A . 431 ASN CG . . . . . . . . . c16596_2kqe 1 . 1 . 383 . 1 1 69 ASN H H 0.627 6.318 -2.282 . . . 1.0 . . . . . . . . . . . . A . 431 ASN H . . . . . . . . . c16596_2kqe 1 . 1 . 384 . 1 1 69 ASN HA H 1.560 8.484 -4.135 . . . 1.0 . . . . . . . . . . . . A . 431 ASN HA . . . . . . . . . c16596_2kqe 1 . 1 . 385 . 1 1 69 ASN HB2 H 2.811 6.283 -2.534 . . . 1.0 . . . . . . . . . . . . A . 431 ASN HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 386 . 1 1 69 ASN HB3 H 3.619 6.766 -4.026 . . . 1.0 . . . . . . . . . . . . A . 431 ASN HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 387 . 1 1 69 ASN HD21 H 4.949 8.632 -3.898 . . . 1.0 . . . . . . . . . . . . A . 431 ASN HD21 . . . . . . . . . c16596_2kqe 1 . 1 . 388 . 1 1 69 ASN HD22 H 4.913 9.730 -2.604 . . . 1.0 . . . . . . . . . . . . A . 431 ASN HD22 . . . . . . . . . c16596_2kqe 1 . 1 . 389 . 1 1 69 ASN N N 0.565 7.149 -2.808 . . . 1.0 . . . . . . . . . . . . A . 431 ASN N . . . . . . . . . c16596_2kqe 1 . 1 . 390 . 1 1 69 ASN ND2 N 4.546 8.943 -3.057 . . . 1.0 . . . . . . . . . . . . A . 431 ASN ND2 . . . . . . . . . c16596_2kqe 1 . 1 . 391 . 1 1 69 ASN O O 0.537 5.626 -5.010 . . . 1.0 . . . . . . . . . . . . A . 431 ASN O . . . . . . . . . c16596_2kqe 1 . 1 . 392 . 1 1 69 ASN OD1 O 3.033 8.708 -1.499 . . . 1.0 . . . . . . . . . . . . A . 431 ASN OD1 . . . . . . . . . c16596_2kqe 1 . 1 . 393 . 1 1 70 PRO C C 2.388 4.711 -7.297 . . . 1.0 . . . . . . . . . . . . A . 432 PRO C . . . . . . . . . c16596_2kqe 1 . 1 . 394 . 1 1 70 PRO CA C 1.716 6.088 -7.434 . . . 1.0 . . . . . . . . . . . . A . 432 PRO CA . . . . . . . . . c16596_2kqe 1 . 1 . 395 . 1 1 70 PRO CB C 2.362 6.929 -8.535 . . . 1.0 . . . . . . . . . . . . A . 432 PRO CB . . . . . . . . . c16596_2kqe 1 . 1 . 396 . 1 1 70 PRO CD C 2.882 7.992 -6.427 . . . 1.0 . . . . . . . . . . . . A . 432 PRO CD . . . . . . . . . c16596_2kqe 1 . 1 . 397 . 1 1 70 PRO CG C 3.375 7.782 -7.838 . . . 1.0 . . . . . . . . . . . . A . 432 PRO CG . . . . . . . . . c16596_2kqe 1 . 1 . 398 . 1 1 70 PRO HA H 0.661 5.976 -7.628 . . . 1.0 . . . . . . . . . . . . A . 432 PRO HA . . . . . . . . . c16596_2kqe 1 . 1 . 399 . 1 1 70 PRO HB2 H 2.843 6.289 -9.262 . . . 1.0 . . . . . . . . . . . . A . 432 PRO HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 400 . 1 1 70 PRO HB3 H 1.623 7.552 -9.013 . . . 1.0 . . . . . . . . . . . . A . 432 PRO HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 401 . 1 1 70 PRO HD2 H 3.705 7.935 -5.728 . . . 1.0 . . . . . . . . . . . . A . 432 PRO HD2 . . . . . . . . . c16596_2kqe 1 . 1 . 402 . 1 1 70 PRO HD3 H 2.374 8.940 -6.341 . . . 1.0 . . . . . . . . . . . . A . 432 PRO HD3 . . . . . . . . . c16596_2kqe 1 . 1 . 403 . 1 1 70 PRO HG2 H 4.335 7.285 -7.830 . . . 1.0 . . . . . . . . . . . . A . 432 PRO HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 404 . 1 1 70 PRO HG3 H 3.459 8.734 -8.337 . . . 1.0 . . . . . . . . . . . . A . 432 PRO HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 405 . 1 1 70 PRO N N 1.932 6.886 -6.206 . . . 1.0 . . . . . . . . . . . . A . 432 PRO N . . . . . . . . . c16596_2kqe 1 . 1 . 406 . 1 1 70 PRO O O 1.767 3.695 -7.544 . . . 1.0 . . . . . . . . . . . . A . 432 PRO O . . . . . . . . . c16596_2kqe 1 . 1 . 407 . 1 1 71 GLN C C 3.894 2.584 -5.494 . . . 1.0 . . . . . . . . . . . . A . 433 GLN C . . . . . . . . . c16596_2kqe 1 . 1 . 408 . 1 1 71 GLN CA C 4.338 3.343 -6.771 . . . 1.0 . . . . . . . . . . . . A . 433 GLN CA . . . . . . . . . c16596_2kqe 1 . 1 . 409 . 1 1 71 GLN CB C 5.860 3.634 -6.763 . . . 1.0 . . . . . . . . . . . . A . 433 GLN CB . . . . . . . . . c16596_2kqe 1 . 1 . 410 . 1 1 71 GLN CD C 6.362 3.379 -4.298 . . . 1.0 . . . . . . . . . . . . A . 433 GLN CD . . . . . . . . . c16596_2kqe 1 . 1 . 411 . 1 1 71 GLN CG C 6.296 4.361 -5.473 . . . 1.0 . . . . . . . . . . . . A . 433 GLN CG . . . . . . . . . c16596_2kqe 1 . 1 . 412 . 1 1 71 GLN H H 4.139 5.484 -6.725 . . . 1.0 . . . . . . . . . . . . A . 433 GLN H . . . . . . . . . c16596_2kqe 1 . 1 . 413 . 1 1 71 GLN HA H 4.115 2.748 -7.632 . . . 1.0 . . . . . . . . . . . . A . 433 GLN HA . . . . . . . . . c16596_2kqe 1 . 1 . 414 . 1 1 71 GLN HB2 H 6.393 2.706 -6.855 . . . 1.0 . . . . . . . . . . . . A . 433 GLN HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 415 . 1 1 71 GLN HB3 H 6.098 4.257 -7.613 . . . 1.0 . . . . . . . . . . . . A . 433 GLN HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 416 . 1 1 71 GLN HE21 H 7.450 2.009 -5.255 . . . 1.0 . . . . . . . . . . . . A . 433 GLN HE21 . . . . . . . . . c16596_2kqe 1 . 1 . 417 . 1 1 71 GLN HE22 H 6.972 1.609 -3.691 . . . 1.0 . . . . . . . . . . . . A . 433 GLN HE22 . . . . . . . . . c16596_2kqe 1 . 1 . 418 . 1 1 71 GLN HG2 H 7.270 4.799 -5.625 . . . 1.0 . . . . . . . . . . . . A . 433 GLN HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 419 . 1 1 71 GLN HG3 H 5.587 5.138 -5.241 . . . 1.0 . . . . . . . . . . . . A . 433 GLN HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 420 . 1 1 71 GLN N N 3.648 4.663 -6.910 . . . 1.0 . . . . . . . . . . . . A . 433 GLN N . . . . . . . . . c16596_2kqe 1 . 1 . 421 . 1 1 71 GLN NE2 N 6.993 2.243 -4.422 . . . 1.0 . . . . . . . . . . . . A . 433 GLN NE2 . . . . . . . . . c16596_2kqe 1 . 1 . 422 . 1 1 71 GLN O O 4.116 1.392 -5.391 . . . 1.0 . . . . . . . . . . . . A . 433 GLN O . . . . . . . . . c16596_2kqe 1 . 1 . 423 . 1 1 71 GLN OE1 O 5.826 3.653 -3.243 . . . 1.0 . . . . . . . . . . . . A . 433 GLN OE1 . . . . . . . . . c16596_2kqe 1 . 1 . 424 . 1 1 72 HIS C C 1.670 1.576 -3.533 . . . 1.0 . . . . . . . . . . . . A . 434 HIS C . . . . . . . . . c16596_2kqe 1 . 1 . 425 . 1 1 72 HIS CA C 2.874 2.501 -3.262 . . . 1.0 . . . . . . . . . . . . A . 434 HIS CA . . . . . . . . . c16596_2kqe 1 . 1 . 426 . 1 1 72 HIS CB C 2.517 3.555 -2.193 . . . 1.0 . . . . . . . . . . . . A . 434 HIS CB . . . . . . . . . c16596_2kqe 1 . 1 . 427 . 1 1 72 HIS CD2 C 0.940 2.734 -0.251 . . . 1.0 . . . . . . . . . . . . A . 434 HIS CD2 . . . . . . . . . c16596_2kqe 1 . 1 . 428 . 1 1 72 HIS CE1 C 2.361 1.502 0.821 . . . 1.0 . . . . . . . . . . . . A . 434 HIS CE1 . . . . . . . . . c16596_2kqe 1 . 1 . 429 . 1 1 72 HIS CG C 2.137 2.848 -0.913 . . . 1.0 . . . . . . . . . . . . A . 434 HIS CG . . . . . . . . . c16596_2kqe 1 . 1 . 430 . 1 1 72 HIS H H 3.099 4.205 -4.601 . . . 1.0 . . . . . . . . . . . . A . 434 HIS H . . . . . . . . . c16596_2kqe 1 . 1 . 431 . 1 1 72 HIS HA H 3.705 1.909 -2.909 . . . 1.0 . . . . . . . . . . . . A . 434 HIS HA . . . . . . . . . c16596_2kqe 1 . 1 . 432 . 1 1 72 HIS HB2 H 3.370 4.193 -2.016 . . . 1.0 . . . . . . . . . . . . A . 434 HIS HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 433 . 1 1 72 HIS HB3 H 1.684 4.150 -2.537 . . . 1.0 . . . . . . . . . . . . A . 434 HIS HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 434 . 1 1 72 HIS HD1 H 3.985 1.929 -0.412 . . . 1.0 . . . . . . . . . . . . A . 434 HIS HD1 . . . . . . . . . c16596_2kqe 1 . 1 . 435 . 1 1 72 HIS HD2 H 0.038 3.266 -0.494 . . . 1.0 . . . . . . . . . . . . A . 434 HIS HD2 . . . . . . . . . c16596_2kqe 1 . 1 . 436 . 1 1 72 HIS HE1 H 2.798 0.841 1.566 . . . 1.0 . . . . . . . . . . . . A . 434 HIS HE1 . . . . . . . . . c16596_2kqe 1 . 1 . 437 . 1 1 72 HIS N N 3.287 3.245 -4.513 . . . 1.0 . . . . . . . . . . . . A . 434 HIS N . . . . . . . . . c16596_2kqe 1 . 1 . 438 . 1 1 72 HIS ND1 N 3.037 2.059 -0.204 . . . 1.0 . . . . . . . . . . . . A . 434 HIS ND1 . . . . . . . . . c16596_2kqe 1 . 1 . 439 . 1 1 72 HIS NE2 N 1.086 1.881 0.826 . . . 1.0 . . . . . . . . . . . . A . 434 HIS NE2 . . . . . . . . . c16596_2kqe 1 . 1 . 440 . 1 1 72 HIS O O 1.566 0.520 -2.936 . . . 1.0 . . . . . . . . . . . . A . 434 HIS O . . . . . . . . . c16596_2kqe 1 . 1 . 441 . 1 1 73 LYS C C 0.105 -0.166 -5.635 . . . 1.0 . . . . . . . . . . . . A . 435 LYS C . . . . . . . . . c16596_2kqe 1 . 1 . 442 . 1 1 73 LYS CA C -0.375 1.004 -4.743 . . . 1.0 . . . . . . . . . . . . A . 435 LYS CA . . . . . . . . . c16596_2kqe 1 . 1 . 443 . 1 1 73 LYS CB C -1.435 1.839 -5.487 . . . 1.0 . . . . . . . . . . . . A . 435 LYS CB . . . . . . . . . c16596_2kqe 1 . 1 . 444 . 1 1 73 LYS CD C -1.998 3.696 -3.909 . . . 1.0 . . . . . . . . . . . . A . 435 LYS CD . . . . . . . . . c16596_2kqe 1 . 1 . 445 . 1 1 73 LYS CE C -2.466 3.813 -2.456 . . . 1.0 . . . . . . . . . . . . A . 435 LYS CE . . . . . . . . . c16596_2kqe 1 . 1 . 446 . 1 1 73 LYS CG C -2.470 2.361 -4.489 . . . 1.0 . . . . . . . . . . . . A . 435 LYS CG . . . . . . . . . c16596_2kqe 1 . 1 . 447 . 1 1 73 LYS H H 0.894 2.758 -4.958 . . . 1.0 . . . . . . . . . . . . A . 435 LYS H . . . . . . . . . c16596_2kqe 1 . 1 . 448 . 1 1 73 LYS HA H -0.790 0.621 -3.823 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HA . . . . . . . . . c16596_2kqe 1 . 1 . 449 . 1 1 73 LYS HB2 H -0.960 2.672 -5.983 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 450 . 1 1 73 LYS HB3 H -1.928 1.219 -6.222 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 451 . 1 1 73 LYS HD2 H -0.919 3.744 -3.946 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HD2 . . . . . . . . . c16596_2kqe 1 . 1 . 452 . 1 1 73 LYS HD3 H -2.415 4.508 -4.486 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HD3 . . . . . . . . . c16596_2kqe 1 . 1 . 453 . 1 1 73 LYS HE2 H -2.264 2.894 -1.923 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HE2 . . . . . . . . . c16596_2kqe 1 . 1 . 454 . 1 1 73 LYS HE3 H -1.981 4.646 -1.970 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HE3 . . . . . . . . . c16596_2kqe 1 . 1 . 455 . 1 1 73 LYS HG2 H -3.415 2.502 -4.994 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 456 . 1 1 73 LYS HG3 H -2.592 1.646 -3.690 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 457 . 1 1 73 LYS HZ1 H -4.110 4.915 -3.100 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HZ1 . . . . . . . . . c16596_2kqe 1 . 1 . 458 . 1 1 73 LYS HZ2 H -4.321 4.177 -1.584 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HZ2 . . . . . . . . . c16596_2kqe 1 . 1 . 459 . 1 1 73 LYS HZ3 H -4.392 3.246 -3.004 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HZ3 . . . . . . . . . c16596_2kqe 1 . 1 . 460 . 1 1 73 LYS N N 0.784 1.927 -4.443 . . . 1.0 . . . . . . . . . . . . A . 435 LYS N . . . . . . . . . c16596_2kqe 1 . 1 . 461 . 1 1 73 LYS NZ N -3.932 4.056 -2.542 . . . 1.0 . . . . . . . . . . . . A . 435 LYS NZ . . . . . . . . . c16596_2kqe 1 . 1 . 462 . 1 1 73 LYS O O -0.515 -1.212 -5.673 . . . 1.0 . . . . . . . . . . . . A . 435 LYS O . . . . . . . . . c16596_2kqe 1 . 1 . 463 . 1 1 74 ILE C C 2.811 -1.939 -6.404 . . . 1.0 . . . . . . . . . . . . A . 436 ILE C . . . . . . . . . c16596_2kqe 1 . 1 . 464 . 1 1 74 ILE CA C 1.742 -1.132 -7.179 . . . 1.0 . . . . . . . . . . . . A . 436 ILE CA . . . . . . . . . c16596_2kqe 1 . 1 . 465 . 1 1 74 ILE CB C 2.273 -0.531 -8.534 . . . 1.0 . . . . . . . . . . . . A . 436 ILE CB . . . . . . . . . c16596_2kqe 1 . 1 . 466 . 1 1 74 ILE CD1 C 4.722 -1.263 -8.589 . . . 1.0 . . . . . . . . . . . . A . 436 ILE CD1 . . . . . . . . . c16596_2kqe 1 . 1 . 467 . 1 1 74 ILE CG1 C 3.317 -1.474 -9.194 . . . 1.0 . . . . . . . . . . . . A . 436 ILE CG1 . . . . . . . . . c16596_2kqe 1 . 1 . 468 . 1 1 74 ILE CG2 C 2.879 0.870 -8.373 . . . 1.0 . . . . . . . . . . . . A . 436 ILE CG2 . . . . . . . . . c16596_2kqe 1 . 1 . 469 . 1 1 74 ILE H H 1.715 0.829 -6.246 . . . 1.0 . . . . . . . . . . . . A . 436 ILE H . . . . . . . . . c16596_2kqe 1 . 1 . 470 . 1 1 74 ILE HA H 0.918 -1.796 -7.401 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HA . . . . . . . . . c16596_2kqe 1 . 1 . 471 . 1 1 74 ILE HB H 1.429 -0.446 -9.203 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HB . . . . . . . . . c16596_2kqe 1 . 1 . 472 . 1 1 74 ILE HD11 H 5.192 -2.220 -8.421 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HD11 . . . . . . . . . c16596_2kqe 1 . 1 . 473 . 1 1 74 ILE HD12 H 4.635 -0.731 -7.650 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HD12 . . . . . . . . . c16596_2kqe 1 . 1 . 474 . 1 1 74 ILE HD13 H 5.322 -0.680 -9.272 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HD13 . . . . . . . . . c16596_2kqe 1 . 1 . 475 . 1 1 74 ILE HG12 H 3.016 -2.500 -9.039 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HG12 . . . . . . . . . c16596_2kqe 1 . 1 . 476 . 1 1 74 ILE HG13 H 3.354 -1.273 -10.254 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HG13 . . . . . . . . . c16596_2kqe 1 . 1 . 477 . 1 1 74 ILE HG21 H 3.477 1.107 -9.240 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HG21 . . . . . . . . . c16596_2kqe 1 . 1 . 478 . 1 1 74 ILE HG22 H 3.504 0.890 -7.488 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HG22 . . . . . . . . . c16596_2kqe 1 . 1 . 479 . 1 1 74 ILE HG23 H 2.087 1.596 -8.269 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HG23 . . . . . . . . . c16596_2kqe 1 . 1 . 480 . 1 1 74 ILE N N 1.222 -0.008 -6.327 . . . 1.0 . . . . . . . . . . . . A . 436 ILE N . . . . . . . . . c16596_2kqe 1 . 1 . 481 . 1 1 74 ILE O O 2.948 -3.128 -6.621 . . . 1.0 . . . . . . . . . . . . A . 436 ILE O . . . . . . . . . c16596_2kqe 1 . 1 . 482 . 1 1 75 GLU C C 3.973 -3.008 -3.697 . . . 1.0 . . . . . . . . . . . . A . 437 GLU C . . . . . . . . . c16596_2kqe 1 . 1 . 483 . 1 1 75 GLU CA C 4.619 -2.115 -4.769 . . . 1.0 . . . . . . . . . . . . A . 437 GLU CA . . . . . . . . . c16596_2kqe 1 . 1 . 484 . 1 1 75 GLU CB C 5.590 -1.108 -4.116 . . . 1.0 . . . . . . . . . . . . A . 437 GLU CB . . . . . . . . . c16596_2kqe 1 . 1 . 485 . 1 1 75 GLU CD C 7.595 -2.413 -4.850 . . . 1.0 . . . . . . . . . . . . A . 437 GLU CD . . . . . . . . . c16596_2kqe 1 . 1 . 486 . 1 1 75 GLU CG C 6.892 -1.056 -4.924 . . . 1.0 . . . . . . . . . . . . A . 437 GLU CG . . . . . . . . . c16596_2kqe 1 . 1 . 487 . 1 1 75 GLU H H 3.472 -0.361 -5.348 . . . 1.0 . . . . . . . . . . . . A . 437 GLU H . . . . . . . . . c16596_2kqe 1 . 1 . 488 . 1 1 75 GLU HA H 5.163 -2.734 -5.466 . . . 1.0 . . . . . . . . . . . . A . 437 GLU HA . . . . . . . . . c16596_2kqe 1 . 1 . 489 . 1 1 75 GLU HB2 H 5.142 -0.126 -4.093 . . . 1.0 . . . . . . . . . . . . A . 437 GLU HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 490 . 1 1 75 GLU HB3 H 5.810 -1.424 -3.108 . . . 1.0 . . . . . . . . . . . . A . 437 GLU HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 491 . 1 1 75 GLU HG2 H 6.667 -0.823 -5.954 . . . 1.0 . . . . . . . . . . . . A . 437 GLU HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 492 . 1 1 75 GLU HG3 H 7.541 -0.296 -4.517 . . . 1.0 . . . . . . . . . . . . A . 437 GLU HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 493 . 1 1 75 GLU N N 3.573 -1.323 -5.516 . . . 1.0 . . . . . . . . . . . . A . 437 GLU N . . . . . . . . . c16596_2kqe 1 . 1 . 494 . 1 1 75 GLU O O 4.374 -4.141 -3.539 . . . 1.0 . . . . . . . . . . . . A . 437 GLU O . . . . . . . . . c16596_2kqe 1 . 1 . 495 . 1 1 75 GLU OE1 O 7.656 -2.969 -3.765 . . . 1.0 . . . . . . . . . . . . A . 437 GLU OE1 . . . . . . . . . c16596_2kqe 1 . 1 . 496 . 1 1 75 GLU OE2 O 8.062 -2.873 -5.879 . . . 1.0 . . . . . . . . . . . . A . 437 GLU OE2 . . . . . . . . . c16596_2kqe 1 . 1 . 497 . 1 1 76 TYR C C 0.853 -3.493 -2.112 . . . 1.0 . . . . . . . . . . . . A . 438 TYR C . . . . . . . . . c16596_2kqe 1 . 1 . 498 . 1 1 76 TYR CA C 2.374 -3.372 -1.887 . . . 1.0 . . . . . . . . . . . . A . 438 TYR CA . . . . . . . . . c16596_2kqe 1 . 1 . 499 . 1 1 76 TYR CB C 2.652 -2.631 -0.576 . . . 1.0 . . . . . . . . . . . . A . 438 TYR CB . . . . . . . . . c16596_2kqe 1 . 1 . 500 . 1 1 76 TYR CD1 C 4.831 -3.681 0.205 . . . 1.0 . . . . . . . . . . . . A . 438 TYR CD1 . . . . . . . . . c16596_2kqe 1 . 1 . 501 . 1 1 76 TYR CD2 C 4.849 -1.358 -0.607 . . . 1.0 . . . . . . . . . . . . A . 438 TYR CD2 . . . . . . . . . c16596_2kqe 1 . 1 . 502 . 1 1 76 TYR CE1 C 6.229 -3.605 0.453 . . . 1.0 . . . . . . . . . . . . A . 438 TYR CE1 . . . . . . . . . c16596_2kqe 1 . 1 . 503 . 1 1 76 TYR CE2 C 6.247 -1.282 -0.361 . . . 1.0 . . . . . . . . . . . . A . 438 TYR CE2 . . . . . . . . . c16596_2kqe 1 . 1 . 504 . 1 1 76 TYR CG C 4.141 -2.558 -0.325 . . . 1.0 . . . . . . . . . . . . A . 438 TYR CG . . . . . . . . . c16596_2kqe 1 . 1 . 505 . 1 1 76 TYR CZ C 6.937 -2.406 0.170 . . . 1.0 . . . . . . . . . . . . A . 438 TYR CZ . . . . . . . . . c16596_2kqe 1 . 1 . 506 . 1 1 76 TYR H H 2.695 -1.597 -3.058 . . . 1.0 . . . . . . . . . . . . A . 438 TYR H . . . . . . . . . c16596_2kqe 1 . 1 . 507 . 1 1 76 TYR HA H 2.833 -4.345 -1.862 . . . 1.0 . . . . . . . . . . . . A . 438 TYR HA . . . . . . . . . c16596_2kqe 1 . 1 . 508 . 1 1 76 TYR HB2 H 2.252 -1.631 -0.641 . . . 1.0 . . . . . . . . . . . . A . 438 TYR HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 509 . 1 1 76 TYR HB3 H 2.178 -3.155 0.240 . . . 1.0 . . . . . . . . . . . . A . 438 TYR HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 510 . 1 1 76 TYR HD1 H 4.294 -4.594 0.418 . . . 1.0 . . . . . . . . . . . . A . 438 TYR HD1 . . . . . . . . . c16596_2kqe 1 . 1 . 511 . 1 1 76 TYR HD2 H 4.326 -0.504 -1.010 . . . 1.0 . . . . . . . . . . . . A . 438 TYR HD2 . . . . . . . . . c16596_2kqe 1 . 1 . 512 . 1 1 76 TYR HE1 H 6.752 -4.459 0.857 . . . 1.0 . . . . . . . . . . . . A . 438 TYR HE1 . . . . . . . . . c16596_2kqe 1 . 1 . 513 . 1 1 76 TYR HE2 H 6.785 -0.371 -0.576 . . . 1.0 . . . . . . . . . . . . A . 438 TYR HE2 . . . . . . . . . c16596_2kqe 1 . 1 . 514 . 1 1 76 TYR HH H 8.434 -1.725 1.142 . . . 1.0 . . . . . . . . . . . . A . 438 TYR HH . . . . . . . . . c16596_2kqe 1 . 1 . 515 . 1 1 76 TYR N N 3.000 -2.521 -2.944 . . . 1.0 . . . . . . . . . . . . A . 438 TYR N . . . . . . . . . c16596_2kqe 1 . 1 . 516 . 1 1 76 TYR O O 0.276 -2.754 -2.887 . . . 1.0 . . . . . . . . . . . . A . 438 TYR O . . . . . . . . . c16596_2kqe 1 . 1 . 517 . 1 1 76 TYR OH O 8.294 -2.332 0.412 . . . 1.0 . . . . . . . . . . . . A . 438 TYR OH . . . . . . . . . c16596_2kqe 1 . 1 . 518 . 1 1 77 ARG C C -1.933 -4.318 -0.165 . . . 1.0 . . . . . . . . . . . . A . 439 ARG C . . . . . . . . . c16596_2kqe 1 . 1 . 519 . 1 1 77 ARG CA C -1.294 -4.530 -1.545 . . . 1.0 . . . . . . . . . . . . A . 439 ARG CA . . . . . . . . . c16596_2kqe 1 . 1 . 520 . 1 1 77 ARG CB C -1.553 -5.957 -2.054 . . . 1.0 . . . . . . . . . . . . A . 439 ARG CB . . . . . . . . . c16596_2kqe 1 . 1 . 521 . 1 1 77 ARG CD C -1.703 -8.346 -1.289 . . . 1.0 . . . . . . . . . . . . A . 439 ARG CD . . . . . . . . . c16596_2kqe 1 . 1 . 522 . 1 1 77 ARG CG C -1.006 -6.995 -1.061 . . . 1.0 . . . . . . . . . . . . A . 439 ARG CG . . . . . . . . . c16596_2kqe 1 . 1 . 523 . 1 1 77 ARG CZ C -1.044 -10.620 -0.589 . . . 1.0 . . . . . . . . . . . . A . 439 ARG CZ . . . . . . . . . c16596_2kqe 1 . 1 . 524 . 1 1 77 ARG H H 0.659 -4.955 -0.759 . . . 1.0 . . . . . . . . . . . . A . 439 ARG H . . . . . . . . . c16596_2kqe 1 . 1 . 525 . 1 1 77 ARG HA H -1.673 -3.806 -2.251 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HA . . . . . . . . . c16596_2kqe 1 . 1 . 526 . 1 1 77 ARG HB2 H -2.617 -6.103 -2.171 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 527 . 1 1 77 ARG HB3 H -1.071 -6.086 -3.009 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 528 . 1 1 77 ARG HD2 H -2.760 -8.258 -1.075 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HD2 . . . . . . . . . c16596_2kqe 1 . 1 . 529 . 1 1 77 ARG HD3 H -1.554 -8.669 -2.306 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HD3 . . . . . . . . . c16596_2kqe 1 . 1 . 530 . 1 1 77 ARG HE H -0.621 -8.987 0.484 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HE . . . . . . . . . c16596_2kqe 1 . 1 . 531 . 1 1 77 ARG HG2 H 0.057 -7.109 -1.209 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 532 . 1 1 77 ARG HG3 H -1.196 -6.667 -0.050 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 533 . 1 1 77 ARG HH11 H -2.145 -10.532 -2.272 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HH11 . . . . . . . . . c16596_2kqe 1 . 1 . 534 . 1 1 77 ARG HH12 H -1.626 -12.110 -1.800 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HH12 . . . . . . . . . c16596_2kqe 1 . 1 . 535 . 1 1 77 ARG HH21 H 0.022 -11.069 1.049 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HH21 . . . . . . . . . c16596_2kqe 1 . 1 . 536 . 1 1 77 ARG HH22 H -0.420 -12.415 0.052 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HH22 . . . . . . . . . c16596_2kqe 1 . 1 . 537 . 1 1 77 ARG N N 0.192 -4.393 -1.408 . . . 1.0 . . . . . . . . . . . . A . 439 ARG N . . . . . . . . . c16596_2kqe 1 . 1 . 538 . 1 1 77 ARG NE N -1.055 -9.320 -0.337 . . . 1.0 . . . . . . . . . . . . A . 439 ARG NE . . . . . . . . . c16596_2kqe 1 . 1 . 539 . 1 1 77 ARG NH1 N -1.654 -11.124 -1.637 . . . 1.0 . . . . . . . . . . . . A . 439 ARG NH1 . . . . . . . . . c16596_2kqe 1 . 1 . 540 . 1 1 77 ARG NH2 N -0.433 -11.432 0.236 . . . 1.0 . . . . . . . . . . . . A . 439 ARG NH2 . . . . . . . . . c16596_2kqe 1 . 1 . 541 . 1 1 77 ARG O O -1.283 -4.515 0.847 . . . 1.0 . . . . . . . . . . . . A . 439 ARG O . . . . . . . . . c16596_2kqe 1 . 1 . 542 . 1 1 78 HIS C C -4.853 -4.717 1.631 . . . 1.0 . . . . . . . . . . . . A . 440 HIS C . . . . . . . . . c16596_2kqe 1 . 1 . 543 . 1 1 78 HIS CA C -3.799 -3.652 1.250 . . . 1.0 . . . . . . . . . . . . A . 440 HIS CA . . . . . . . . . c16596_2kqe 1 . 1 . 544 . 1 1 78 HIS CB C -4.426 -2.255 1.142 . . . 1.0 . . . . . . . . . . . . A . 440 HIS CB . . . . . . . . . c16596_2kqe 1 . 1 . 545 . 1 1 78 HIS CD2 C -2.521 -0.545 1.752 . . . 1.0 . . . . . . . . . . . . A . 440 HIS CD2 . . . . . . . . . c16596_2kqe 1 . 1 . 546 . 1 1 78 HIS CE1 C -1.817 -0.133 -0.256 . . . 1.0 . . . . . . . . . . . . A . 440 HIS CE1 . . . . . . . . . c16596_2kqe 1 . 1 . 547 . 1 1 78 HIS CG C -3.320 -1.263 0.896 . . . 1.0 . . . . . . . . . . . . A . 440 HIS CG . . . . . . . . . c16596_2kqe 1 . 1 . 548 . 1 1 78 HIS H H -3.694 -3.706 -0.912 . . . 1.0 . . . . . . . . . . . . A . 440 HIS H . . . . . . . . . c16596_2kqe 1 . 1 . 549 . 1 1 78 HIS HA H -3.026 -3.631 2.001 . . . 1.0 . . . . . . . . . . . . A . 440 HIS HA . . . . . . . . . c16596_2kqe 1 . 1 . 550 . 1 1 78 HIS HB2 H -5.125 -2.233 0.317 . . . 1.0 . . . . . . . . . . . . A . 440 HIS HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 551 . 1 1 78 HIS HB3 H -4.937 -2.009 2.060 . . . 1.0 . . . . . . . . . . . . A . 440 HIS HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 552 . 1 1 78 HIS HD1 H -3.222 -1.329 -1.221 . . . 1.0 . . . . . . . . . . . . A . 440 HIS HD1 . . . . . . . . . c16596_2kqe 1 . 1 . 553 . 1 1 78 HIS HD2 H -2.601 -0.536 2.830 . . . 1.0 . . . . . . . . . . . . A . 440 HIS HD2 . . . . . . . . . c16596_2kqe 1 . 1 . 554 . 1 1 78 HIS HE1 H -1.230 0.235 -1.087 . . . 1.0 . . . . . . . . . . . . A . 440 HIS HE1 . . . . . . . . . c16596_2kqe 1 . 1 . 555 . 1 1 78 HIS N N -3.177 -3.895 -0.096 . . . 1.0 . . . . . . . . . . . . A . 440 HIS N . . . . . . . . . c16596_2kqe 1 . 1 . 556 . 1 1 78 HIS ND1 N -2.857 -0.978 -0.381 . . . 1.0 . . . . . . . . . . . . A . 440 HIS ND1 . . . . . . . . . c16596_2kqe 1 . 1 . 557 . 1 1 78 HIS NE2 N -1.578 0.162 1.024 . . . 1.0 . . . . . . . . . . . . A . 440 HIS NE2 . . . . . . . . . c16596_2kqe 1 . 1 . 558 . 1 1 78 HIS O O -5.243 -4.796 2.782 . . . 1.0 . . . . . . . . . . . . A . 440 HIS O . . . . . . . . . c16596_2kqe 1 . 1 . 559 . 1 1 79 ASN C C -5.859 -7.956 0.606 . . . 1.0 . . . . . . . . . . . . A . 441 ASN C . . . . . . . . . c16596_2kqe 1 . 1 . 560 . 1 1 79 ASN CA C -6.336 -6.571 1.076 . . . 1.0 . . . . . . . . . . . . A . 441 ASN CA . . . . . . . . . c16596_2kqe 1 . 1 . 561 . 1 1 79 ASN CB C -7.625 -6.145 0.360 . . . 1.0 . . . . . . . . . . . . A . 441 ASN CB . . . . . . . . . c16596_2kqe 1 . 1 . 562 . 1 1 79 ASN CG C -7.412 -6.141 -1.159 . . . 1.0 . . . . . . . . . . . . A . 441 ASN CG . . . . . . . . . c16596_2kqe 1 . 1 . 563 . 1 1 79 ASN H H -5.019 -5.491 -0.216 . . . 1.0 . . . . . . . . . . . . A . 441 ASN H . . . . . . . . . c16596_2kqe 1 . 1 . 564 . 1 1 79 ASN HA H -6.494 -6.576 2.145 . . . 1.0 . . . . . . . . . . . . A . 441 ASN HA . . . . . . . . . c16596_2kqe 1 . 1 . 565 . 1 1 79 ASN HB2 H -8.418 -6.835 0.610 . . . 1.0 . . . . . . . . . . . . A . 441 ASN HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 566 . 1 1 79 ASN HB3 H -7.899 -5.152 0.684 . . . 1.0 . . . . . . . . . . . . A . 441 ASN HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 567 . 1 1 79 ASN HD21 H -6.779 -4.249 -1.241 . . . 1.0 . . . . . . . . . . . . A . 441 ASN HD21 . . . . . . . . . c16596_2kqe 1 . 1 . 568 . 1 1 79 ASN HD22 H -6.850 -5.060 -2.730 . . . 1.0 . . . . . . . . . . . . A . 441 ASN HD22 . . . . . . . . . c16596_2kqe 1 . 1 . 569 . 1 1 79 ASN N N -5.322 -5.539 0.708 . . . 1.0 . . . . . . . . . . . . A . 441 ASN N . . . . . . . . . c16596_2kqe 1 . 1 . 570 . 1 1 79 ASN ND2 N -6.976 -5.060 -1.759 . . . 1.0 . . . . . . . . . . . . A . 441 ASN ND2 . . . . . . . . . c16596_2kqe 1 . 1 . 571 . 1 1 79 ASN O O -5.558 -8.150 -0.555 . . . 1.0 . . . . . . . . . . . . A . 441 ASN O . . . . . . . . . c16596_2kqe 1 . 1 . 572 . 1 1 79 ASN OD1 O -7.640 -7.139 -1.811 . . . 1.0 . . . . . . . . . . . . A . 441 ASN OD1 . . . . . . . . . c16596_2kqe 1 . 1 . 573 . 1 1 80 THR C C -6.504 -11.245 0.989 . . . 1.0 . . . . . . . . . . . . A . 442 THR C . . . . . . . . . c16596_2kqe 1 . 1 . 574 . 1 1 80 THR CA C -5.309 -10.283 1.115 . . . 1.0 . . . . . . . . . . . . A . 442 THR CA . . . . . . . . . c16596_2kqe 1 . 1 . 575 . 1 1 80 THR CB C -4.370 -10.736 2.241 . . . 1.0 . . . . . . . . . . . . A . 442 THR CB . . . . . . . . . c16596_2kqe 1 . 1 . 576 . 1 1 80 THR CG2 C -3.228 -11.564 1.655 . . . 1.0 . . . . . . . . . . . . A . 442 THR CG2 . . . . . . . . . c16596_2kqe 1 . 1 . 577 . 1 1 80 THR H H -6.019 -8.731 2.428 . . . 1.0 . . . . . . . . . . . . A . 442 THR H . . . . . . . . . c16596_2kqe 1 . 1 . 578 . 1 1 80 THR HA H -4.771 -10.236 0.186 . . . 1.0 . . . . . . . . . . . . A . 442 THR HA . . . . . . . . . c16596_2kqe 1 . 1 . 579 . 1 1 80 THR HB H -4.920 -11.337 2.948 . . . 1.0 . . . . . . . . . . . . A . 442 THR HB . . . . . . . . . c16596_2kqe 1 . 1 . 580 . 1 1 80 THR HG1 H -3.421 -9.890 3.714 . . . 1.0 . . . . . . . . . . . . A . 442 THR HG1 . . . . . . . . . c16596_2kqe 1 . 1 . 581 . 1 1 80 THR HG21 H -2.969 -12.353 2.345 . . . 1.0 . . . . . . . . . . . . A . 442 THR HG21 . . . . . . . . . c16596_2kqe 1 . 1 . 582 . 1 1 80 THR HG22 H -2.370 -10.926 1.497 . . . 1.0 . . . . . . . . . . . . A . 442 THR HG22 . . . . . . . . . c16596_2kqe 1 . 1 . 583 . 1 1 80 THR HG23 H -3.537 -11.992 0.715 . . . 1.0 . . . . . . . . . . . . A . 442 THR HG23 . . . . . . . . . c16596_2kqe 1 . 1 . 584 . 1 1 80 THR N N -5.778 -8.914 1.503 . . . 1.0 . . . . . . . . . . . . A . 442 THR N . . . . . . . . . c16596_2kqe 1 . 1 . 585 . 1 1 80 THR O O -6.516 -12.308 1.585 . . . 1.0 . . . . . . . . . . . . A . 442 THR O . . . . . . . . . c16596_2kqe 1 . 1 . 586 . 1 1 80 THR OG1 O -3.837 -9.596 2.901 . . . 1.0 . . . . . . . . . . . . A . 442 THR OG1 . . . . . . . . . c16596_2kqe 1 . 1 . 587 . 1 1 81 LEU C C -8.450 -12.811 -1.068 . . . 1.0 . . . . . . . . . . . . A . 443 LEU C . . . . . . . . . c16596_2kqe 1 . 1 . 588 . 1 1 81 LEU CA C -8.694 -11.795 0.063 . . . 1.0 . . . . . . . . . . . . A . 443 LEU CA . . . . . . . . . c16596_2kqe 1 . 1 . 589 . 1 1 81 LEU CB C -9.893 -10.897 -0.276 . . . 1.0 . . . . . . . . . . . . A . 443 LEU CB . . . . . . . . . c16596_2kqe 1 . 1 . 590 . 1 1 81 LEU CD1 C -9.669 -9.591 1.841 . . . 1.0 . . . . . . . . . . . . A . 443 LEU CD1 . . . . . . . . . c16596_2kqe 1 . 1 . 591 . 1 1 81 LEU CD2 C -11.866 -9.695 0.659 . . . 1.0 . . . . . . . . . . . . A . 443 LEU CD2 . . . . . . . . . c16596_2kqe 1 . 1 . 592 . 1 1 81 LEU CG C -10.600 -10.478 1.012 . . . 1.0 . . . . . . . . . . . . A . 443 LEU CG . . . . . . . . . c16596_2kqe 1 . 1 . 593 . 1 1 81 LEU H H -7.473 -10.018 -0.253 . . . 1.0 . . . . . . . . . . . . A . 443 LEU H . . . . . . . . . c16596_2kqe 1 . 1 . 594 . 1 1 81 LEU HA H -8.880 -12.316 0.989 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HA . . . . . . . . . c16596_2kqe 1 . 1 . 595 . 1 1 81 LEU HB2 H -9.550 -10.016 -0.800 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 596 . 1 1 81 LEU HB3 H -10.584 -11.440 -0.902 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 597 . 1 1 81 LEU HD11 H -10.248 -9.034 2.564 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HD11 . . . . . . . . . c16596_2kqe 1 . 1 . 598 . 1 1 81 LEU HD12 H -9.152 -8.904 1.189 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HD12 . . . . . . . . . c16596_2kqe 1 . 1 . 599 . 1 1 81 LEU HD13 H -8.949 -10.209 2.357 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HD13 . . . . . . . . . c16596_2kqe 1 . 1 . 600 . 1 1 81 LEU HD21 H -11.615 -8.889 -0.014 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HD21 . . . . . . . . . c16596_2kqe 1 . 1 . 601 . 1 1 81 LEU HD22 H -12.302 -9.290 1.560 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HD22 . . . . . . . . . c16596_2kqe 1 . 1 . 602 . 1 1 81 LEU HD23 H -12.575 -10.355 0.181 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HD23 . . . . . . . . . c16596_2kqe 1 . 1 . 603 . 1 1 81 LEU HG H -10.864 -11.357 1.582 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HG . . . . . . . . . c16596_2kqe 1 . 1 . 604 . 1 1 81 LEU N N -7.506 -10.883 0.218 . . . 1.0 . . . . . . . . . . . . A . 443 LEU N . . . . . . . . . c16596_2kqe 1 . 1 . 605 . 1 1 81 LEU O O -7.715 -12.531 -1.995 . . . 1.0 . . . . . . . . . . . . A . 443 LEU O . . . . . . . . . c16596_2kqe 1 . 1 . 606 . 1 1 82 PRO C C -9.676 -14.649 -3.275 . . . 1.0 . . . . . . . . . . . . A . 444 PRO C . . . . . . . . . c16596_2kqe 1 . 1 . 607 . 1 1 82 PRO CA C -8.910 -15.021 -1.995 . . . 1.0 . . . . . . . . . . . . A . 444 PRO CA . . . . . . . . . c16596_2kqe 1 . 1 . 608 . 1 1 82 PRO CB C -9.516 -16.264 -1.348 . . . 1.0 . . . . . . . . . . . . A . 444 PRO CB . . . . . . . . . c16596_2kqe 1 . 1 . 609 . 1 1 82 PRO CD C -9.979 -14.404 0.122 . . . 1.0 . . . . . . . . . . . . A . 444 PRO CD . . . . . . . . . c16596_2kqe 1 . 1 . 610 . 1 1 82 PRO CG C -10.487 -15.746 -0.337 . . . 1.0 . . . . . . . . . . . . A . 444 PRO CG . . . . . . . . . c16596_2kqe 1 . 1 . 611 . 1 1 82 PRO HA H -7.867 -15.186 -2.208 . . . 1.0 . . . . . . . . . . . . A . 444 PRO HA . . . . . . . . . c16596_2kqe 1 . 1 . 612 . 1 1 82 PRO HB2 H -10.027 -16.861 -2.092 . . . 1.0 . . . . . . . . . . . . A . 444 PRO HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 613 . 1 1 82 PRO HB3 H -8.749 -16.846 -0.860 . . . 1.0 . . . . . . . . . . . . A . 444 PRO HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 614 . 1 1 82 PRO HD2 H -10.800 -13.710 0.237 . . . 1.0 . . . . . . . . . . . . A . 444 PRO HD2 . . . . . . . . . c16596_2kqe 1 . 1 . 615 . 1 1 82 PRO HD3 H -9.432 -14.502 1.047 . . . 1.0 . . . . . . . . . . . . A . 444 PRO HD3 . . . . . . . . . c16596_2kqe 1 . 1 . 616 . 1 1 82 PRO HG2 H -11.464 -15.639 -0.786 . . . 1.0 . . . . . . . . . . . . A . 444 PRO HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 617 . 1 1 82 PRO HG3 H -10.539 -16.421 0.504 . . . 1.0 . . . . . . . . . . . . A . 444 PRO HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 618 . 1 1 82 PRO N N -9.076 -13.969 -0.958 . . . 1.0 . . . . . . . . . . . . A . 444 PRO N . . . . . . . . . c16596_2kqe 1 . 1 . 619 . 1 1 82 PRO O O -10.874 -14.442 -3.245 . . . 1.0 . . . . . . . . . . . . A . 444 PRO O . . . . . . . . . c16596_2kqe 1 . 1 . 620 . 1 1 83 VAL C C -9.190 -15.108 -6.816 . . . 1.0 . . . . . . . . . . . . A . 445 VAL C . . . . . . . . . c16596_2kqe 1 . 1 . 621 . 1 1 83 VAL CA C -9.697 -14.212 -5.675 . . . 1.0 . . . . . . . . . . . . A . 445 VAL CA . . . . . . . . . c16596_2kqe 1 . 1 . 622 . 1 1 83 VAL CB C -9.345 -12.743 -5.934 . . . 1.0 . . . . . . . . . . . . A . 445 VAL CB . . . . . . . . . c16596_2kqe 1 . 1 . 623 . 1 1 83 VAL CG1 C -10.042 -12.264 -7.208 . . . 1.0 . . . . . . . . . . . . A . 445 VAL CG1 . . . . . . . . . c16596_2kqe 1 . 1 . 624 . 1 1 83 VAL CG2 C -9.811 -11.887 -4.752 . . . 1.0 . . . . . . . . . . . . A . 445 VAL CG2 . . . . . . . . . c16596_2kqe 1 . 1 . 625 . 1 1 83 VAL H H -8.029 -14.740 -4.416 . . . 1.0 . . . . . . . . . . . . A . 445 VAL H . . . . . . . . . c16596_2kqe 1 . 1 . 626 . 1 1 83 VAL HA H -10.762 -14.326 -5.559 . . . 1.0 . . . . . . . . . . . . A . 445 VAL HA . . . . . . . . . c16596_2kqe 1 . 1 . 627 . 1 1 83 VAL HB H -8.275 -12.646 -6.051 . . . 1.0 . . . . . . . . . . . . A . 445 VAL HB . . . . . . . . . c16596_2kqe 1 . 1 . 628 . 1 1 83 VAL HG11 H -9.390 -12.417 -8.055 . . . 1.0 . . . . . . . . . . . . A . 445 VAL HG11 . . . . . . . . . c16596_2kqe 1 . 1 . 629 . 1 1 83 VAL HG12 H -10.275 -11.213 -7.117 . . . 1.0 . . . . . . . . . . . . A . 445 VAL HG12 . . . . . . . . . c16596_2kqe 1 . 1 . 630 . 1 1 83 VAL HG13 H -10.955 -12.824 -7.351 . . . 1.0 . . . . . . . . . . . . A . 445 VAL HG13 . . . . . . . . . c16596_2kqe 1 . 1 . 631 . 1 1 83 VAL HG21 H -10.779 -12.230 -4.419 . . . 1.0 . . . . . . . . . . . . A . 445 VAL HG21 . . . . . . . . . c16596_2kqe 1 . 1 . 632 . 1 1 83 VAL HG22 H -9.882 -10.855 -5.061 . . . 1.0 . . . . . . . . . . . . A . 445 VAL HG22 . . . . . . . . . c16596_2kqe 1 . 1 . 633 . 1 1 83 VAL HG23 H -9.101 -11.973 -3.943 . . . 1.0 . . . . . . . . . . . . A . 445 VAL HG23 . . . . . . . . . c16596_2kqe 1 . 1 . 634 . 1 1 83 VAL N N -8.997 -14.567 -4.403 . . . 1.0 . . . . . . . . . . . . A . 445 VAL N . . . . . . . . . c16596_2kqe 1 . 1 . 635 . 1 1 83 VAL O O -8.851 -14.632 -7.882 . . . 1.0 . . . . . . . . . . . . A . 445 VAL O . . . . . . . . . c16596_2kqe 1 . 1 . 636 . 1 1 84 ARG C C -8.705 -18.820 -7.207 . . . 1.0 . . . . . . . . . . . . A . 446 ARG C . . . . . . . . . c16596_2kqe 1 . 1 . 637 . 1 1 84 ARG CA C -8.668 -17.351 -7.682 . . . 1.0 . . . . . . . . . . . . A . 446 ARG CA . . . . . . . . . c16596_2kqe 1 . 1 . 638 . 1 1 84 ARG CB C -7.224 -16.936 -8.044 . . . 1.0 . . . . . . . . . . . . A . 446 ARG CB . . . . . . . . . c16596_2kqe 1 . 1 . 639 . 1 1 84 ARG CD C -5.230 -15.805 -7.043 . . . 1.0 . . . . . . . . . . . . A . 446 ARG CD . . . . . . . . . c16596_2kqe 1 . 1 . 640 . 1 1 84 ARG CG C -6.348 -16.818 -6.789 . . . 1.0 . . . . . . . . . . . . A . 446 ARG CG . . . . . . . . . c16596_2kqe 1 . 1 . 641 . 1 1 84 ARG CZ C -3.417 -17.454 -7.234 . . . 1.0 . . . . . . . . . . . . A . 446 ARG CZ . . . . . . . . . c16596_2kqe 1 . 1 . 642 . 1 1 84 ARG H H -9.442 -16.768 -5.736 . . . 1.0 . . . . . . . . . . . . A . 446 ARG H . . . . . . . . . c16596_2kqe 1 . 1 . 643 . 1 1 84 ARG HA H -9.296 -17.244 -8.552 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HA . . . . . . . . . c16596_2kqe 1 . 1 . 644 . 1 1 84 ARG HB2 H -6.798 -17.680 -8.700 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 645 . 1 1 84 ARG HB3 H -7.242 -15.986 -8.555 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 646 . 1 1 84 ARG HD2 H -5.604 -14.971 -7.622 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HD2 . . . . . . . . . c16596_2kqe 1 . 1 . 647 . 1 1 84 ARG HD3 H -4.814 -15.460 -6.109 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HD3 . . . . . . . . . c16596_2kqe 1 . 1 . 648 . 1 1 84 ARG HE H -4.093 -16.377 -8.778 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HE . . . . . . . . . c16596_2kqe 1 . 1 . 649 . 1 1 84 ARG HG2 H -6.946 -16.489 -5.953 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 650 . 1 1 84 ARG HG3 H -5.913 -17.779 -6.563 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 651 . 1 1 84 ARG HH11 H -4.200 -17.252 -5.389 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HH11 . . . . . . . . . c16596_2kqe 1 . 1 . 652 . 1 1 84 ARG HH12 H -2.922 -18.407 -5.537 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HH12 . . . . . . . . . c16596_2kqe 1 . 1 . 653 . 1 1 84 ARG HH21 H -2.426 -17.898 -8.919 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HH21 . . . . . . . . . c16596_2kqe 1 . 1 . 654 . 1 1 84 ARG HH22 H -1.929 -18.770 -7.508 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HH22 . . . . . . . . . c16596_2kqe 1 . 1 . 655 . 1 1 84 ARG N N -9.146 -16.410 -6.602 . . . 1.0 . . . . . . . . . . . . A . 446 ARG N . . . . . . . . . c16596_2kqe 1 . 1 . 656 . 1 1 84 ARG NE N -4.195 -16.556 -7.818 . . . 1.0 . . . . . . . . . . . . A . 446 ARG NE . . . . . . . . . c16596_2kqe 1 . 1 . 657 . 1 1 84 ARG NH1 N -3.523 -17.724 -5.952 . . . 1.0 . . . . . . . . . . . . A . 446 ARG NH1 . . . . . . . . . c16596_2kqe 1 . 1 . 658 . 1 1 84 ARG NH2 N -2.520 -18.091 -7.942 . . . 1.0 . . . . . . . . . . . . A . 446 ARG NH2 . . . . . . . . . c16596_2kqe 1 . 1 . 659 . 1 1 84 ARG O O -9.145 -19.688 -7.938 . . . 1.0 . . . . . . . . . . . . A . 446 ARG O . . . . . . . . . c16596_2kqe 1 . 1 . 660 . 1 1 85 ASN C C -9.353 -20.681 -4.417 . . . 1.0 . . . . . . . . . . . . A . 447 ASN C . . . . . . . . . c16596_2kqe 1 . 1 . 661 . 1 1 85 ASN CA C -8.292 -20.530 -5.516 . . . 1.0 . . . . . . . . . . . . A . 447 ASN CA . . . . . . . . . c16596_2kqe 1 . 1 . 662 . 1 1 85 ASN CB C -6.893 -20.806 -4.957 . . . 1.0 . . . . . . . . . . . . A . 447 ASN CB . . . . . . . . . c16596_2kqe 1 . 1 . 663 . 1 1 85 ASN CG C -6.597 -22.308 -5.038 . . . 1.0 . . . . . . . . . . . . A . 447 ASN CG . . . . . . . . . c16596_2kqe 1 . 1 . 664 . 1 1 85 ASN H H -7.909 -18.412 -5.409 . . . 1.0 . . . . . . . . . . . . A . 447 ASN H . . . . . . . . . c16596_2kqe 1 . 1 . 665 . 1 1 85 ASN HA H -8.500 -21.201 -6.335 . . . 1.0 . . . . . . . . . . . . A . 447 ASN HA . . . . . . . . . c16596_2kqe 1 . 1 . 666 . 1 1 85 ASN HB2 H -6.160 -20.261 -5.535 . . . 1.0 . . . . . . . . . . . . A . 447 ASN HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 667 . 1 1 85 ASN HB3 H -6.848 -20.487 -3.926 . . . 1.0 . . . . . . . . . . . . A . 447 ASN HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 668 . 1 1 85 ASN HD21 H -6.039 -22.266 -6.955 . . . 1.0 . . . . . . . . . . . . A . 447 ASN HD21 . . . . . . . . . c16596_2kqe 1 . 1 . 669 . 1 1 85 ASN HD22 H -5.983 -23.791 -6.212 . . . 1.0 . . . . . . . . . . . . A . 447 ASN HD22 . . . . . . . . . c16596_2kqe 1 . 1 . 670 . 1 1 85 ASN N N -8.258 -19.114 -5.999 . . . 1.0 . . . . . . . . . . . . A . 447 ASN N . . . . . . . . . c16596_2kqe 1 . 1 . 671 . 1 1 85 ASN ND2 N -6.171 -22.831 -6.162 . . . 1.0 . . . . . . . . . . . . A . 447 ASN ND2 . . . . . . . . . c16596_2kqe 1 . 1 . 672 . 1 1 85 ASN O O -9.038 -20.659 -3.242 . . . 1.0 . . . . . . . . . . . . A . 447 ASN O . . . . . . . . . c16596_2kqe 1 . 1 . 673 . 1 1 85 ASN OD1 O -6.756 -23.019 -4.065 . . . 1.0 . . . . . . . . . . . . A . 447 ASN OD1 . . . . . . . . . c16596_2kqe 1 . 1 . 674 . 1 1 86 VAL C C -12.554 -22.216 -4.078 . . . 1.0 . . . . . . . . . . . . A . 448 VAL C . . . . . . . . . c16596_2kqe 1 . 1 . 675 . 1 1 86 VAL CA C -11.681 -20.990 -3.751 . . . 1.0 . . . . . . . . . . . . A . 448 VAL CA . . . . . . . . . c16596_2kqe 1 . 1 . 676 . 1 1 86 VAL CB C -12.506 -19.699 -3.827 . . . 1.0 . . . . . . . . . . . . A . 448 VAL CB . . . . . . . . . c16596_2kqe 1 . 1 . 677 . 1 1 86 VAL CG1 C -13.601 -19.724 -2.759 . . . 1.0 . . . . . . . . . . . . A . 448 VAL CG1 . . . . . . . . . c16596_2kqe 1 . 1 . 678 . 1 1 86 VAL CG2 C -11.598 -18.488 -3.583 . . . 1.0 . . . . . . . . . . . . A . 448 VAL CG2 . . . . . . . . . c16596_2kqe 1 . 1 . 679 . 1 1 86 VAL H H -10.849 -20.856 -5.740 . . . 1.0 . . . . . . . . . . . . A . 448 VAL H . . . . . . . . . c16596_2kqe 1 . 1 . 680 . 1 1 86 VAL HA H -11.244 -21.091 -2.770 . . . 1.0 . . . . . . . . . . . . A . 448 VAL HA . . . . . . . . . c16596_2kqe 1 . 1 . 681 . 1 1 86 VAL HB H -12.959 -19.620 -4.805 . . . 1.0 . . . . . . . . . . . . A . 448 VAL HB . . . . . . . . . c16596_2kqe 1 . 1 . 682 . 1 1 86 VAL HG11 H -13.252 -20.276 -1.899 . . . 1.0 . . . . . . . . . . . . A . 448 VAL HG11 . . . . . . . . . c16596_2kqe 1 . 1 . 683 . 1 1 86 VAL HG12 H -14.483 -20.202 -3.159 . . . 1.0 . . . . . . . . . . . . A . 448 VAL HG12 . . . . . . . . . c16596_2kqe 1 . 1 . 684 . 1 1 86 VAL HG13 H -13.841 -18.713 -2.465 . . . 1.0 . . . . . . . . . . . . A . 448 VAL HG13 . . . . . . . . . c16596_2kqe 1 . 1 . 685 . 1 1 86 VAL HG21 H -12.180 -17.582 -3.653 . . . 1.0 . . . . . . . . . . . . A . 448 VAL HG21 . . . . . . . . . c16596_2kqe 1 . 1 . 686 . 1 1 86 VAL HG22 H -10.814 -18.471 -4.326 . . . 1.0 . . . . . . . . . . . . A . 448 VAL HG22 . . . . . . . . . c16596_2kqe 1 . 1 . 687 . 1 1 86 VAL HG23 H -11.159 -18.560 -2.599 . . . 1.0 . . . . . . . . . . . . A . 448 VAL HG23 . . . . . . . . . c16596_2kqe 1 . 1 . 688 . 1 1 86 VAL N N -10.609 -20.837 -4.785 . . . 1.0 . . . . . . . . . . . . A . 448 VAL N . . . . . . . . . c16596_2kqe 1 . 1 . 689 . 1 1 86 VAL O O -13.755 -22.197 -3.891 . . . 1.0 . . . . . . . . . . . . A . 448 VAL O . . . . . . . . . c16596_2kqe 1 . 1 . 690 . 1 1 87 LEU C C -11.841 -25.619 -5.466 . . . 1.0 . . . . . . . . . . . . A . 449 LEU C . . . . . . . . . c16596_2kqe 1 . 1 . 691 . 1 1 87 LEU CA C -12.761 -24.523 -4.908 . . . 1.0 . . . . . . . . . . . . A . 449 LEU CA . . . . . . . . . c16596_2kqe 1 . 1 . 692 . 1 1 87 LEU CB C -13.774 -24.085 -5.980 . . . 1.0 . . . . . . . . . . . . A . 449 LEU CB . . . . . . . . . c16596_2kqe 1 . 1 . 693 . 1 1 87 LEU CD1 C -16.010 -22.968 -6.034 . . . 1.0 . . . . . . . . . . . . A . 449 LEU CD1 . . . . . . . . . c16596_2kqe 1 . 1 . 694 . 1 1 87 LEU CD2 C -15.854 -25.433 -5.662 . . . 1.0 . . . . . . . . . . . . A . 449 LEU CD2 . . . . . . . . . c16596_2kqe 1 . 1 . 695 . 1 1 87 LEU CG C -15.186 -24.084 -5.388 . . . 1.0 . . . . . . . . . . . . A . 449 LEU CG . . . . . . . . . c16596_2kqe 1 . 1 . 696 . 1 1 87 LEU H H -10.985 -23.290 -4.709 . . . 1.0 . . . . . . . . . . . . A . 449 LEU H . . . . . . . . . c16596_2kqe 1 . 1 . 697 . 1 1 87 LEU HA H -13.270 -24.882 -4.043 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HA . . . . . . . . . c16596_2kqe 1 . 1 . 698 . 1 1 87 LEU HB2 H -13.527 -23.091 -6.322 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 699 . 1 1 87 LEU HB3 H -13.738 -24.770 -6.815 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 700 . 1 1 87 LEU HD11 H -16.464 -23.336 -6.942 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HD11 . . . . . . . . . c16596_2kqe 1 . 1 . 701 . 1 1 87 LEU HD12 H -15.365 -22.133 -6.266 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HD12 . . . . . . . . . c16596_2kqe 1 . 1 . 702 . 1 1 87 LEU HD13 H -16.781 -22.648 -5.349 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HD13 . . . . . . . . . c16596_2kqe 1 . 1 . 703 . 1 1 87 LEU HD21 H -15.784 -25.663 -6.715 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HD21 . . . . . . . . . c16596_2kqe 1 . 1 . 704 . 1 1 87 LEU HD22 H -16.894 -25.385 -5.373 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HD22 . . . . . . . . . c16596_2kqe 1 . 1 . 705 . 1 1 87 LEU HD23 H -15.357 -26.203 -5.092 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HD23 . . . . . . . . . c16596_2kqe 1 . 1 . 706 . 1 1 87 LEU HG H -15.129 -23.918 -4.322 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HG . . . . . . . . . c16596_2kqe 1 . 1 . 707 . 1 1 87 LEU N N -11.959 -23.290 -4.568 . . . 1.0 . . . . . . . . . . . . A . 449 LEU N . . . . . . . . . c16596_2kqe 1 . 1 . 708 . 1 1 87 LEU O O -11.866 -26.751 -5.024 . . . 1.0 . . . . . . . . . . . . A . 449 LEU O . . . . . . . . . c16596_2kqe 1 . 1 . 709 . 1 1 88 ASP C C -10.851 -27.531 -7.510 . . . 1.0 . . . . . . . . . . . . A . 450 ASP C . . . . . . . . . c16596_2kqe 1 . 1 . 710 . 1 1 88 ASP CA C -10.088 -26.278 -7.044 . . . 1.0 . . . . . . . . . . . . A . 450 ASP CA . . . . . . . . . c16596_2kqe 1 . 1 . 711 . 1 1 88 ASP CB C -9.095 -26.635 -5.933 . . . 1.0 . . . . . . . . . . . . A . 450 ASP CB . . . . . . . . . c16596_2kqe 1 . 1 . 712 . 1 1 88 ASP CG C -7.755 -27.032 -6.554 . . . 1.0 . . . . . . . . . . . . A . 450 ASP CG . . . . . . . . . c16596_2kqe 1 . 1 . 713 . 1 1 88 ASP H H -11.028 -24.360 -6.771 . . . 1.0 . . . . . . . . . . . . A . 450 ASP H . . . . . . . . . c16596_2kqe 1 . 1 . 714 . 1 1 88 ASP HA H -9.562 -25.830 -7.872 . . . 1.0 . . . . . . . . . . . . A . 450 ASP HA . . . . . . . . . c16596_2kqe 1 . 1 . 715 . 1 1 88 ASP HB2 H -8.955 -25.780 -5.287 . . . 1.0 . . . . . . . . . . . . A . 450 ASP HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 716 . 1 1 88 ASP HB3 H -9.482 -27.462 -5.357 . . . 1.0 . . . . . . . . . . . . A . 450 ASP HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 717 . 1 1 88 ASP N N -11.026 -25.280 -6.437 . . . 1.0 . . . . . . . . . . . . A . 450 ASP N . . . . . . . . . c16596_2kqe 1 . 1 . 718 . 1 1 88 ASP O O -11.110 -28.427 -6.729 . . . 1.0 . . . . . . . . . . . . A . 450 ASP O . . . . . . . . . c16596_2kqe 1 . 1 . 719 . 1 1 88 ASP OD1 O -7.680 -28.114 -7.112 . . . 1.0 . . . . . . . . . . . . A . 450 ASP OD1 . . . . . . . . . c16596_2kqe 1 . 1 . 720 . 1 1 88 ASP OD2 O -6.825 -26.248 -6.460 . . . 1.0 . . . . . . . . . . . . A . 450 ASP OD2 . . . . . . . . . c16596_2kqe 1 . 1 . 721 . 1 1 89 GLU C C -11.229 -29.408 -10.478 . . . 1.0 . . . . . . . . . . . . A . 451 GLU C . . . . . . . . . c16596_2kqe 1 . 1 . 722 . 1 1 89 GLU CA C -11.955 -28.799 -9.275 . . . 1.0 . . . . . . . . . . . . A . 451 GLU CA . . . . . . . . . c16596_2kqe 1 . 1 . 723 . 1 1 89 GLU CB C -13.328 -28.269 -9.689 . . . 1.0 . . . . . . . . . . . . A . 451 GLU CB . . . . . . . . . c16596_2kqe 1 . 1 . 724 . 1 1 89 GLU CD C -14.857 -29.030 -7.865 . . . 1.0 . . . . . . . . . . . . A . 451 GLU CD . . . . . . . . . c16596_2kqe 1 . 1 . 725 . 1 1 89 GLU CG C -14.103 -27.831 -8.444 . . . 1.0 . . . . . . . . . . . . A . 451 GLU CG . . . . . . . . . c16596_2kqe 1 . 1 . 726 . 1 1 89 GLU H H -10.998 -26.873 -9.398 . . . 1.0 . . . . . . . . . . . . A . 451 GLU H . . . . . . . . . c16596_2kqe 1 . 1 . 727 . 1 1 89 GLU HA H -12.064 -29.530 -8.490 . . . 1.0 . . . . . . . . . . . . A . 451 GLU HA . . . . . . . . . c16596_2kqe 1 . 1 . 728 . 1 1 89 GLU HB2 H -13.203 -27.424 -10.351 . . . 1.0 . . . . . . . . . . . . A . 451 GLU HB2 . . . . . . . . . c16596_2kqe 1 . 1 . 729 . 1 1 89 GLU HB3 H -13.877 -29.047 -10.197 . . . 1.0 . . . . . . . . . . . . A . 451 GLU HB3 . . . . . . . . . c16596_2kqe 1 . 1 . 730 . 1 1 89 GLU HG2 H -13.413 -27.448 -7.707 . . . 1.0 . . . . . . . . . . . . A . 451 GLU HG2 . . . . . . . . . c16596_2kqe 1 . 1 . 731 . 1 1 89 GLU HG3 H -14.809 -27.060 -8.712 . . . 1.0 . . . . . . . . . . . . A . 451 GLU HG3 . . . . . . . . . c16596_2kqe 1 . 1 . 732 . 1 1 89 GLU N N -11.213 -27.603 -8.776 . . . 1.0 . . . . . . . . . . . . A . 451 GLU N . . . . . . . . . c16596_2kqe 1 . 1 . 733 . 1 1 89 GLU O O -11.622 -30.483 -10.899 . . . 1.0 . . . . . . . . . . . . A . 451 GLU O . . . . . . . . . c16596_2kqe 1 . 1 . 734 . 1 1 89 GLU OXT O -10.294 -28.788 -10.956 . . . 1.0 . . . . . . . . . . . . A . 451 GLU OXT . . . . . . . . . c16596_2kqe 1 . 1 . 735 . 1 1 89 GLU OE1 O -14.243 -29.798 -7.143 . . . 1.0 . . . . . . . . . . . . A . 451 GLU OE1 . . . . . . . . . c16596_2kqe 1 . 1 . 736 . 1 1 89 GLU OE2 O -16.036 -29.158 -8.152 . . . 1.0 . . . . . . . . . . . . A . 451 GLU OE2 . . . . . . . . . c16596_2kqe 1 . 1 . 737 . 2 2 1 ZN ZN Zn -0.209 1.182 1.939 . . . 1.0 . . . . . . . . . . . . A . 1001 ZN ZN . . . . . . . . . c16596_2kqe 1 . 1 . 738 . 3 3 1 ADN C1' C 3.971 6.873 8.547 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C1' . . . . . . . . . c16596_2kqe 1 . 1 . 739 . 3 3 1 ADN C2 C 0.431 4.990 6.812 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C2 . . . . . . . . . c16596_2kqe 1 . 1 . 740 . 3 3 1 ADN C2' C 4.116 8.276 7.944 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C2' . . . . . . . . . c16596_2kqe 1 . 1 . 741 . 3 3 1 ADN C3' C 4.822 9.021 9.073 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C3' . . . . . . . . . c16596_2kqe 1 . 1 . 742 . 3 3 1 ADN C4 C 1.617 5.973 8.434 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C4 . . . . . . . . . c16596_2kqe 1 . 1 . 743 . 3 3 1 ADN C4' C 5.720 7.948 9.673 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C4' . . . . . . . . . c16596_2kqe 1 . 1 . 744 . 3 3 1 ADN C5 C 0.568 5.891 9.352 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C5 . . . . . . . . . c16596_2kqe 1 . 1 . 745 . 3 3 1 ADN C5' C 6.095 8.159 11.120 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C5' . . . . . . . . . c16596_2kqe 1 . 1 . 746 . 3 3 1 ADN C6 C -0.641 5.284 8.885 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C6 . . . . . . . . . c16596_2kqe 1 . 1 . 747 . 3 3 1 ADN C8 C 2.176 6.827 10.368 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C8 . . . . . . . . . c16596_2kqe 1 . 1 . 748 . 3 3 1 ADN H1' H 4.193 6.106 7.802 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN H1' . . . . . . . . . c16596_2kqe 1 . 1 . 749 . 3 3 1 ADN H2 H 0.352 4.621 5.792 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN H2 . . . . . . . . . c16596_2kqe 1 . 1 . 750 . 3 3 1 ADN H2' H 3.145 8.726 7.742 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN H2' . . . . . . . . . c16596_2kqe 1 . 1 . 751 . 3 3 1 ADN H3' H 4.122 9.418 9.809 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN H3' . . . . . . . . . c16596_2kqe 1 . 1 . 752 . 3 3 1 ADN H4' H 6.640 7.939 9.088 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN H4' . . . . . . . . . c16596_2kqe 1 . 1 . 753 . 3 3 1 ADN H5'1 H 5.633 9.078 11.480 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN H5'1 . . . . . . . . . c16596_2kqe 1 . 1 . 754 . 3 3 1 ADN H5'2 H 5.721 7.323 11.714 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN H5'2 . . . . . . . . . c16596_2kqe 1 . 1 . 755 . 3 3 1 ADN H8 H 2.767 7.299 11.121 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN H8 . . . . . . . . . c16596_2kqe 1 . 1 . 756 . 3 3 1 ADN HN61 H -2.556 4.697 9.259 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN HN61 . . . . . . . . . c16596_2kqe 1 . 1 . 757 . 3 3 1 ADN HN62 H -1.727 5.455 10.599 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN HN62 . . . . . . . . . c16596_2kqe 1 . 1 . 758 . 3 3 1 ADN HO3' H 5.041 10.914 8.737 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN HO3' . . . . . . . . . c16596_2kqe 1 . 1 . 759 . 3 3 1 ADN HO5' H 7.920 7.651 10.627 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN HO5' . . . . . . . . . c16596_2kqe 1 . 1 . 760 . 3 3 1 ADN N1 N -0.677 4.836 7.589 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN N1 . . . . . . . . . c16596_2kqe 1 . 1 . 761 . 3 3 1 ADN N3 N 1.618 5.542 7.145 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN N3 . . . . . . . . . c16596_2kqe 1 . 1 . 762 . 3 3 1 ADN N6 N -1.729 5.133 9.642 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN N6 . . . . . . . . . c16596_2kqe 1 . 1 . 763 . 3 3 1 ADN N7 N 0.940 6.438 10.568 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN N7 . . . . . . . . . c16596_2kqe 1 . 1 . 764 . 3 3 1 ADN N9 N 2.649 6.576 9.104 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN N9 . . . . . . . . . c16596_2kqe 1 . 1 . 765 . 3 3 1 ADN O2' O 4.934 8.242 6.780 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN O2' . . . . . . . . . c16596_2kqe 1 . 1 . 766 . 3 3 1 ADN O3' O 5.561 10.128 8.573 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN O3' . . . . . . . . . c16596_2kqe 1 . 1 . 767 . 3 3 1 ADN O4' O 4.948 6.726 9.560 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN O4' . . . . . . . . . c16596_2kqe 1 . 1 . 768 . 3 3 1 ADN O5' O 7.510 8.245 11.256 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN O5' . . . . . . . . . c16596_2kqe 1 . 1 . 769 . 4 4 1 RIB C1' C 4.134 8.125 5.611 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB C1' . . . . . . . . . c16596_2kqe 1 . 1 . 770 . 4 4 1 RIB C2' C 4.467 6.823 4.877 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB C2' . . . . . . . . . c16596_2kqe 1 . 1 . 771 . 4 4 1 RIB C3' C 5.340 7.310 3.720 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB C3' . . . . . . . . . c16596_2kqe 1 . 1 . 772 . 4 4 1 RIB C4' C 4.861 8.731 3.462 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB C4' . . . . . . . . . c16596_2kqe 1 . 1 . 773 . 4 4 1 RIB C5' C 3.781 8.885 2.410 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB C5' . . . . . . . . . c16596_2kqe 1 . 1 . 774 . 4 4 1 RIB H1' H 3.078 8.178 5.883 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB H1' . . . . . . . . . c16596_2kqe 1 . 1 . 775 . 4 4 1 RIB H2' H 3.569 6.325 4.506 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB H2' . . . . . . . . . c16596_2kqe 1 . 1 . 776 . 4 4 1 RIB H3' H 5.241 6.687 2.830 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB H3' . . . . . . . . . c16596_2kqe 1 . 1 . 777 . 4 4 1 RIB H4' H 5.741 9.282 3.115 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB H4' . . . . . . . . . c16596_2kqe 1 . 1 . 778 . 4 4 1 RIB H5'1 H 4.238 8.855 1.422 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB H5'1 . . . . . . . . . c16596_2kqe 1 . 1 . 779 . 4 4 1 RIB H5'2 H 3.083 8.049 2.501 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB H5'2 . . . . . . . . . c16596_2kqe 1 . 1 . 780 . 4 4 1 RIB HO2' H 5.176 5.099 5.368 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB HO2' . . . . . . . . . c16596_2kqe 1 . 1 . 781 . 4 4 1 RIB HO3' H 6.805 6.818 4.886 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB HO3' . . . . . . . . . c16596_2kqe 1 . 1 . 782 . 4 4 1 RIB HO5' H 3.288 10.668 1.831 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB HO5' . . . . . . . . . c16596_2kqe 1 . 1 . 783 . 4 4 1 RIB O2' O 5.227 5.986 5.724 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB O2' . . . . . . . . . c16596_2kqe 1 . 1 . 784 . 4 4 1 RIB O3' O 6.722 7.294 4.060 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB O3' . . . . . . . . . c16596_2kqe 1 . 1 . 785 . 4 4 1 RIB O4' O 4.382 9.215 4.741 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB O4' . . . . . . . . . c16596_2kqe 1 . 1 . 786 . 4 4 1 RIB O5' O 3.089 10.118 2.588 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB O5' . . . . . . . . . c16596_2kqe 1 . 2 . 787 . 1 1 43 GLY C C 2.442 -26.873 -5.552 . . . 1.0 . . . . . . . . . . . . A . 405 GLY C . . . . . . . . . c16596_2kqe 1 . 2 . 788 . 1 1 43 GLY CA C 1.127 -26.365 -6.161 . . . 1.0 . . . . . . . . . . . . A . 405 GLY CA . . . . . . . . . c16596_2kqe 1 . 2 . 789 . 1 1 43 GLY H H -0.008 -27.291 -4.681 . . . 1.0 . . . . . . . . . . . . A . 405 GLY H . . . . . . . . . c16596_2kqe 1 . 2 . 790 . 1 1 43 GLY HA2 H 0.826 -27.018 -6.969 . . . 1.0 . . . . . . . . . . . . A . 405 GLY HA2 . . . . . . . . . c16596_2kqe 1 . 2 . 791 . 1 1 43 GLY HA3 H 1.275 -25.366 -6.541 . . . 1.0 . . . . . . . . . . . . A . 405 GLY HA3 . . . . . . . . . c16596_2kqe 1 . 2 . 792 . 1 1 43 GLY N N 0.066 -26.349 -5.115 . . . 1.0 . . . . . . . . . . . . A . 405 GLY N . . . . . . . . . c16596_2kqe 1 . 2 . 793 . 1 1 43 GLY O O 2.464 -27.341 -4.428 . . . 1.0 . . . . . . . . . . . . A . 405 GLY O . . . . . . . . . c16596_2kqe 1 . 2 . 794 . 1 1 44 GLY C C 5.427 -26.203 -4.793 . . . 1.0 . . . . . . . . . . . . A . 406 GLY C . . . . . . . . . c16596_2kqe 1 . 2 . 795 . 1 1 44 GLY CA C 4.840 -27.270 -5.727 . . . 1.0 . . . . . . . . . . . . A . 406 GLY CA . . . . . . . . . c16596_2kqe 1 . 2 . 796 . 1 1 44 GLY H H 3.507 -26.409 -7.185 . . . 1.0 . . . . . . . . . . . . A . 406 GLY H . . . . . . . . . c16596_2kqe 1 . 2 . 797 . 1 1 44 GLY HA2 H 4.680 -28.186 -5.177 . . . 1.0 . . . . . . . . . . . . A . 406 GLY HA2 . . . . . . . . . c16596_2kqe 1 . 2 . 798 . 1 1 44 GLY HA3 H 5.529 -27.452 -6.539 . . . 1.0 . . . . . . . . . . . . A . 406 GLY HA3 . . . . . . . . . c16596_2kqe 1 . 2 . 799 . 1 1 44 GLY N N 3.538 -26.788 -6.278 . . . 1.0 . . . . . . . . . . . . A . 406 GLY N . . . . . . . . . c16596_2kqe 1 . 2 . 800 . 1 1 44 GLY O O 4.884 -25.934 -3.739 . . . 1.0 . . . . . . . . . . . . A . 406 GLY O . . . . . . . . . c16596_2kqe 1 . 2 . 801 . 1 1 45 VAL C C 7.643 -23.369 -5.145 . . . 1.0 . . . . . . . . . . . . A . 407 VAL C . . . . . . . . . c16596_2kqe 1 . 2 . 802 . 1 1 45 VAL CA C 7.146 -24.547 -4.289 . . . 1.0 . . . . . . . . . . . . A . 407 VAL CA . . . . . . . . . c16596_2kqe 1 . 2 . 803 . 1 1 45 VAL CB C 8.316 -25.246 -3.588 . . . 1.0 . . . . . . . . . . . . A . 407 VAL CB . . . . . . . . . c16596_2kqe 1 . 2 . 804 . 1 1 45 VAL CG1 C 9.019 -24.261 -2.651 . . . 1.0 . . . . . . . . . . . . A . 407 VAL CG1 . . . . . . . . . c16596_2kqe 1 . 2 . 805 . 1 1 45 VAL CG2 C 7.793 -26.431 -2.771 . . . 1.0 . . . . . . . . . . . . A . 407 VAL CG2 . . . . . . . . . c16596_2kqe 1 . 2 . 806 . 1 1 45 VAL H H 6.966 -25.819 -6.020 . . . 1.0 . . . . . . . . . . . . A . 407 VAL H . . . . . . . . . c16596_2kqe 1 . 2 . 807 . 1 1 45 VAL HA H 6.429 -24.206 -3.558 . . . 1.0 . . . . . . . . . . . . A . 407 VAL HA . . . . . . . . . c16596_2kqe 1 . 2 . 808 . 1 1 45 VAL HB H 9.019 -25.601 -4.330 . . . 1.0 . . . . . . . . . . . . A . 407 VAL HB . . . . . . . . . c16596_2kqe 1 . 2 . 809 . 1 1 45 VAL HG11 H 9.726 -23.670 -3.215 . . . 1.0 . . . . . . . . . . . . A . 407 VAL HG11 . . . . . . . . . c16596_2kqe 1 . 2 . 810 . 1 1 45 VAL HG12 H 9.541 -24.808 -1.879 . . . 1.0 . . . . . . . . . . . . A . 407 VAL HG12 . . . . . . . . . c16596_2kqe 1 . 2 . 811 . 1 1 45 VAL HG13 H 8.287 -23.609 -2.198 . . . 1.0 . . . . . . . . . . . . A . 407 VAL HG13 . . . . . . . . . c16596_2kqe 1 . 2 . 812 . 1 1 45 VAL HG21 H 7.350 -27.159 -3.436 . . . 1.0 . . . . . . . . . . . . A . 407 VAL HG21 . . . . . . . . . c16596_2kqe 1 . 2 . 813 . 1 1 45 VAL HG22 H 7.048 -26.084 -2.071 . . . 1.0 . . . . . . . . . . . . A . 407 VAL HG22 . . . . . . . . . c16596_2kqe 1 . 2 . 814 . 1 1 45 VAL HG23 H 8.610 -26.887 -2.232 . . . 1.0 . . . . . . . . . . . . A . 407 VAL HG23 . . . . . . . . . c16596_2kqe 1 . 2 . 815 . 1 1 45 VAL N N 6.535 -25.593 -5.166 . . . 1.0 . . . . . . . . . . . . A . 407 VAL N . . . . . . . . . c16596_2kqe 1 . 2 . 816 . 1 1 45 VAL O O 8.826 -23.086 -5.188 . . . 1.0 . . . . . . . . . . . . A . 407 VAL O . . . . . . . . . c16596_2kqe 1 . 2 . 817 . 1 1 46 GLN C C 6.156 -20.388 -6.585 . . . 1.0 . . . . . . . . . . . . A . 408 GLN C . . . . . . . . . c16596_2kqe 1 . 2 . 818 . 1 1 46 GLN CA C 7.185 -21.527 -6.675 . . . 1.0 . . . . . . . . . . . . A . 408 GLN CA . . . . . . . . . c16596_2kqe 1 . 2 . 819 . 1 1 46 GLN CB C 7.247 -22.085 -8.097 . . . 1.0 . . . . . . . . . . . . A . 408 GLN CB . . . . . . . . . c16596_2kqe 1 . 2 . 820 . 1 1 46 GLN CD C 8.509 -23.800 -9.413 . . . 1.0 . . . . . . . . . . . . A . 408 GLN CD . . . . . . . . . c16596_2kqe 1 . 2 . 821 . 1 1 46 GLN CG C 8.624 -22.706 -8.343 . . . 1.0 . . . . . . . . . . . . A . 408 GLN CG . . . . . . . . . c16596_2kqe 1 . 2 . 822 . 1 1 46 GLN H H 5.799 -22.916 -5.786 . . . 1.0 . . . . . . . . . . . . A . 408 GLN H . . . . . . . . . c16596_2kqe 1 . 2 . 823 . 1 1 46 GLN HA H 8.161 -21.180 -6.371 . . . 1.0 . . . . . . . . . . . . A . 408 GLN HA . . . . . . . . . c16596_2kqe 1 . 2 . 824 . 1 1 46 GLN HB2 H 6.483 -22.839 -8.221 . . . 1.0 . . . . . . . . . . . . A . 408 GLN HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 825 . 1 1 46 GLN HB3 H 7.083 -21.287 -8.806 . . . 1.0 . . . . . . . . . . . . A . 408 GLN HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 826 . 1 1 46 GLN HE21 H 7.592 -25.109 -8.217 . . . 1.0 . . . . . . . . . . . . A . 408 GLN HE21 . . . . . . . . . c16596_2kqe 1 . 2 . 827 . 1 1 46 GLN HE22 H 7.871 -25.642 -9.804 . . . 1.0 . . . . . . . . . . . . A . 408 GLN HE22 . . . . . . . . . c16596_2kqe 1 . 2 . 828 . 1 1 46 GLN HG2 H 9.309 -21.941 -8.681 . . . 1.0 . . . . . . . . . . . . A . 408 GLN HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 829 . 1 1 46 GLN HG3 H 8.992 -23.141 -7.426 . . . 1.0 . . . . . . . . . . . . A . 408 GLN HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 830 . 1 1 46 GLN N N 6.752 -22.678 -5.828 . . . 1.0 . . . . . . . . . . . . A . 408 GLN N . . . . . . . . . c16596_2kqe 1 . 2 . 831 . 1 1 46 GLN NE2 N 7.943 -24.945 -9.119 . . . 1.0 . . . . . . . . . . . . A . 408 GLN NE2 . . . . . . . . . c16596_2kqe 1 . 2 . 832 . 1 1 46 GLN O O 5.212 -20.464 -5.824 . . . 1.0 . . . . . . . . . . . . A . 408 GLN O . . . . . . . . . c16596_2kqe 1 . 2 . 833 . 1 1 46 GLN OE1 O 8.939 -23.610 -10.532 . . . 1.0 . . . . . . . . . . . . A . 408 GLN OE1 . . . . . . . . . c16596_2kqe 1 . 2 . 834 . 1 1 47 ILE C C 4.908 -17.810 -8.726 . . . 1.0 . . . . . . . . . . . . A . 409 ILE C . . . . . . . . . c16596_2kqe 1 . 2 . 835 . 1 1 47 ILE CA C 5.348 -18.202 -7.308 . . . 1.0 . . . . . . . . . . . . A . 409 ILE CA . . . . . . . . . c16596_2kqe 1 . 2 . 836 . 1 1 47 ILE CB C 6.083 -17.045 -6.632 . . . 1.0 . . . . . . . . . . . . A . 409 ILE CB . . . . . . . . . c16596_2kqe 1 . 2 . 837 . 1 1 47 ILE CD1 C 7.537 -15.180 -7.458 . . . 1.0 . . . . . . . . . . . . A . 409 ILE CD1 . . . . . . . . . c16596_2kqe 1 . 2 . 838 . 1 1 47 ILE CG1 C 7.359 -16.698 -7.416 . . . 1.0 . . . . . . . . . . . . A . 409 ILE CG1 . . . . . . . . . c16596_2kqe 1 . 2 . 839 . 1 1 47 ILE CG2 C 6.454 -17.444 -5.203 . . . 1.0 . . . . . . . . . . . . A . 409 ILE CG2 . . . . . . . . . c16596_2kqe 1 . 2 . 840 . 1 1 47 ILE H H 7.092 -19.285 -7.974 . . . 1.0 . . . . . . . . . . . . A . 409 ILE H . . . . . . . . . c16596_2kqe 1 . 2 . 841 . 1 1 47 ILE HA H 4.487 -18.481 -6.720 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HA . . . . . . . . . c16596_2kqe 1 . 2 . 842 . 1 1 47 ILE HB H 5.431 -16.186 -6.604 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HB . . . . . . . . . c16596_2kqe 1 . 2 . 843 . 1 1 47 ILE HD11 H 7.022 -14.734 -6.621 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HD11 . . . . . . . . . c16596_2kqe 1 . 2 . 844 . 1 1 47 ILE HD12 H 7.127 -14.795 -8.380 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HD12 . . . . . . . . . c16596_2kqe 1 . 2 . 845 . 1 1 47 ILE HD13 H 8.588 -14.940 -7.403 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HD13 . . . . . . . . . c16596_2kqe 1 . 2 . 846 . 1 1 47 ILE HG12 H 8.213 -17.149 -6.933 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HG12 . . . . . . . . . c16596_2kqe 1 . 2 . 847 . 1 1 47 ILE HG13 H 7.274 -17.076 -8.424 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HG13 . . . . . . . . . c16596_2kqe 1 . 2 . 848 . 1 1 47 ILE HG21 H 6.922 -16.607 -4.705 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HG21 . . . . . . . . . c16596_2kqe 1 . 2 . 849 . 1 1 47 ILE HG22 H 7.138 -18.278 -5.227 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HG22 . . . . . . . . . c16596_2kqe 1 . 2 . 850 . 1 1 47 ILE HG23 H 5.560 -17.727 -4.667 . . . 1.0 . . . . . . . . . . . . A . 409 ILE HG23 . . . . . . . . . c16596_2kqe 1 . 2 . 851 . 1 1 47 ILE N N 6.327 -19.333 -7.359 . . . 1.0 . . . . . . . . . . . . A . 409 ILE N . . . . . . . . . c16596_2kqe 1 . 2 . 852 . 1 1 47 ILE O O 4.989 -16.657 -9.108 . . . 1.0 . . . . . . . . . . . . A . 409 ILE O . . . . . . . . . c16596_2kqe 1 . 2 . 853 . 1 1 48 VAL C C 2.424 -18.365 -10.879 . . . 1.0 . . . . . . . . . . . . A . 410 VAL C . . . . . . . . . c16596_2kqe 1 . 2 . 854 . 1 1 48 VAL CA C 3.955 -18.419 -10.883 . . . 1.0 . . . . . . . . . . . . A . 410 VAL CA . . . . . . . . . c16596_2kqe 1 . 2 . 855 . 1 1 48 VAL CB C 4.465 -19.548 -11.789 . . . 1.0 . . . . . . . . . . . . A . 410 VAL CB . . . . . . . . . c16596_2kqe 1 . 2 . 856 . 1 1 48 VAL CG1 C 4.052 -19.269 -13.236 . . . 1.0 . . . . . . . . . . . . A . 410 VAL CG1 . . . . . . . . . c16596_2kqe 1 . 2 . 857 . 1 1 48 VAL CG2 C 5.991 -19.623 -11.703 . . . 1.0 . . . . . . . . . . . . A . 410 VAL CG2 . . . . . . . . . c16596_2kqe 1 . 2 . 858 . 1 1 48 VAL H H 4.346 -19.676 -9.167 . . . 1.0 . . . . . . . . . . . . A . 410 VAL H . . . . . . . . . c16596_2kqe 1 . 2 . 859 . 1 1 48 VAL HA H 4.362 -17.472 -11.197 . . . 1.0 . . . . . . . . . . . . A . 410 VAL HA . . . . . . . . . c16596_2kqe 1 . 2 . 860 . 1 1 48 VAL HB H 4.037 -20.487 -11.468 . . . 1.0 . . . . . . . . . . . . A . 410 VAL HB . . . . . . . . . c16596_2kqe 1 . 2 . 861 . 1 1 48 VAL HG11 H 4.771 -18.605 -13.692 . . . 1.0 . . . . . . . . . . . . A . 410 VAL HG11 . . . . . . . . . c16596_2kqe 1 . 2 . 862 . 1 1 48 VAL HG12 H 3.076 -18.807 -13.250 . . . 1.0 . . . . . . . . . . . . A . 410 VAL HG12 . . . . . . . . . c16596_2kqe 1 . 2 . 863 . 1 1 48 VAL HG13 H 4.019 -20.198 -13.786 . . . 1.0 . . . . . . . . . . . . A . 410 VAL HG13 . . . . . . . . . c16596_2kqe 1 . 2 . 864 . 1 1 48 VAL HG21 H 6.410 -18.642 -11.870 . . . 1.0 . . . . . . . . . . . . A . 410 VAL HG21 . . . . . . . . . c16596_2kqe 1 . 2 . 865 . 1 1 48 VAL HG22 H 6.360 -20.304 -12.455 . . . 1.0 . . . . . . . . . . . . A . 410 VAL HG22 . . . . . . . . . c16596_2kqe 1 . 2 . 866 . 1 1 48 VAL HG23 H 6.280 -19.977 -10.724 . . . 1.0 . . . . . . . . . . . . A . 410 VAL HG23 . . . . . . . . . c16596_2kqe 1 . 2 . 867 . 1 1 48 VAL N N 4.423 -18.754 -9.500 . . . 1.0 . . . . . . . . . . . . A . 410 VAL N . . . . . . . . . c16596_2kqe 1 . 2 . 868 . 1 1 48 VAL O O 1.763 -19.196 -11.473 . . . 1.0 . . . . . . . . . . . . A . 410 VAL O . . . . . . . . . c16596_2kqe 1 . 2 . 869 . 1 1 49 GLY C C -0.034 -17.508 -8.643 . . . 1.0 . . . . . . . . . . . . A . 411 GLY C . . . . . . . . . c16596_2kqe 1 . 2 . 870 . 1 1 49 GLY CA C 0.375 -17.303 -10.106 . . . 1.0 . . . . . . . . . . . . A . 411 GLY CA . . . . . . . . . c16596_2kqe 1 . 2 . 871 . 1 1 49 GLY H H 2.410 -16.754 -9.692 . . . 1.0 . . . . . . . . . . . . A . 411 GLY H . . . . . . . . . c16596_2kqe 1 . 2 . 872 . 1 1 49 GLY HA2 H 0.057 -16.326 -10.446 . . . 1.0 . . . . . . . . . . . . A . 411 GLY HA2 . . . . . . . . . c16596_2kqe 1 . 2 . 873 . 1 1 49 GLY HA3 H -0.077 -18.069 -10.717 . . . 1.0 . . . . . . . . . . . . A . 411 GLY HA3 . . . . . . . . . c16596_2kqe 1 . 2 . 874 . 1 1 49 GLY N N 1.857 -17.403 -10.184 . . . 1.0 . . . . . . . . . . . . A . 411 GLY N . . . . . . . . . c16596_2kqe 1 . 2 . 875 . 1 1 49 GLY O O -0.751 -18.436 -8.320 . . . 1.0 . . . . . . . . . . . . A . 411 GLY O . . . . . . . . . c16596_2kqe 1 . 2 . 876 . 1 1 50 GLN C C -1.434 -16.475 -6.120 . . . 1.0 . . . . . . . . . . . . A . 412 GLN C . . . . . . . . . c16596_2kqe 1 . 2 . 877 . 1 1 50 GLN CA C 0.049 -16.823 -6.298 . . . 1.0 . . . . . . . . . . . . A . 412 GLN CA . . . . . . . . . c16596_2kqe 1 . 2 . 878 . 1 1 50 GLN CB C 0.910 -15.869 -5.433 . . . 1.0 . . . . . . . . . . . . A . 412 GLN CB . . . . . . . . . c16596_2kqe 1 . 2 . 879 . 1 1 50 GLN CD C 2.928 -14.496 -6.087 . . . 1.0 . . . . . . . . . . . . A . 412 GLN CD . . . . . . . . . c16596_2kqe 1 . 2 . 880 . 1 1 50 GLN CG C 2.395 -15.920 -5.837 . . . 1.0 . . . . . . . . . . . . A . 412 GLN CG . . . . . . . . . c16596_2kqe 1 . 2 . 881 . 1 1 50 GLN H H 0.997 -15.908 -8.038 . . . 1.0 . . . . . . . . . . . . A . 412 GLN H . . . . . . . . . c16596_2kqe 1 . 2 . 882 . 1 1 50 GLN HA H 0.228 -17.846 -5.999 . . . 1.0 . . . . . . . . . . . . A . 412 GLN HA . . . . . . . . . c16596_2kqe 1 . 2 . 883 . 1 1 50 GLN HB2 H 0.541 -14.864 -5.527 . . . 1.0 . . . . . . . . . . . . A . 412 GLN HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 884 . 1 1 50 GLN HB3 H 0.823 -16.172 -4.399 . . . 1.0 . . . . . . . . . . . . A . 412 GLN HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 885 . 1 1 50 GLN HE21 H 1.340 -13.862 -7.134 . . . 1.0 . . . . . . . . . . . . A . 412 GLN HE21 . . . . . . . . . c16596_2kqe 1 . 2 . 886 . 1 1 50 GLN HE22 H 2.572 -12.722 -6.920 . . . 1.0 . . . . . . . . . . . . A . 412 GLN HE22 . . . . . . . . . c16596_2kqe 1 . 2 . 887 . 1 1 50 GLN HG2 H 2.961 -16.373 -5.036 . . . 1.0 . . . . . . . . . . . . A . 412 GLN HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 888 . 1 1 50 GLN HG3 H 2.514 -16.511 -6.729 . . . 1.0 . . . . . . . . . . . . A . 412 GLN HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 889 . 1 1 50 GLN N N 0.422 -16.649 -7.750 . . . 1.0 . . . . . . . . . . . . A . 412 GLN N . . . . . . . . . c16596_2kqe 1 . 2 . 890 . 1 1 50 GLN NE2 N 2.218 -13.623 -6.772 . . . 1.0 . . . . . . . . . . . . A . 412 GLN NE2 . . . . . . . . . c16596_2kqe 1 . 2 . 891 . 1 1 50 GLN O O -2.225 -17.314 -5.727 . . . 1.0 . . . . . . . . . . . . A . 412 GLN O . . . . . . . . . c16596_2kqe 1 . 2 . 892 . 1 1 50 GLN OE1 O 4.013 -14.169 -5.651 . . . 1.0 . . . . . . . . . . . . A . 412 GLN OE1 . . . . . . . . . c16596_2kqe 1 . 2 . 893 . 1 1 51 ASP C C -3.658 -13.742 -7.228 . . . 1.0 . . . . . . . . . . . . A . 413 ASP C . . . . . . . . . c16596_2kqe 1 . 2 . 894 . 1 1 51 ASP CA C -3.262 -14.870 -6.255 . . . 1.0 . . . . . . . . . . . . A . 413 ASP CA . . . . . . . . . c16596_2kqe 1 . 2 . 895 . 1 1 51 ASP CB C -3.394 -14.399 -4.807 . . . 1.0 . . . . . . . . . . . . A . 413 ASP CB . . . . . . . . . c16596_2kqe 1 . 2 . 896 . 1 1 51 ASP CG C -3.298 -15.604 -3.867 . . . 1.0 . . . . . . . . . . . . A . 413 ASP CG . . . . . . . . . c16596_2kqe 1 . 2 . 897 . 1 1 51 ASP H H -1.180 -14.579 -6.730 . . . 1.0 . . . . . . . . . . . . A . 413 ASP H . . . . . . . . . c16596_2kqe 1 . 2 . 898 . 1 1 51 ASP HA H -3.884 -15.730 -6.416 . . . 1.0 . . . . . . . . . . . . A . 413 ASP HA . . . . . . . . . c16596_2kqe 1 . 2 . 899 . 1 1 51 ASP HB2 H -2.599 -13.702 -4.582 . . . 1.0 . . . . . . . . . . . . A . 413 ASP HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 900 . 1 1 51 ASP HB3 H -4.348 -13.915 -4.670 . . . 1.0 . . . . . . . . . . . . A . 413 ASP HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 901 . 1 1 51 ASP N N -1.826 -15.248 -6.410 . . . 1.0 . . . . . . . . . . . . A . 413 ASP N . . . . . . . . . c16596_2kqe 1 . 2 . 902 . 1 1 51 ASP O O -4.498 -12.922 -6.909 . . . 1.0 . . . . . . . . . . . . A . 413 ASP O . . . . . . . . . c16596_2kqe 1 . 2 . 903 . 1 1 51 ASP OD1 O -2.191 -15.945 -3.485 . . . 1.0 . . . . . . . . . . . . A . 413 ASP OD1 . . . . . . . . . c16596_2kqe 1 . 2 . 904 . 1 1 51 ASP OD2 O -4.333 -16.164 -3.547 . . . 1.0 . . . . . . . . . . . . A . 413 ASP OD2 . . . . . . . . . c16596_2kqe 1 . 2 . 905 . 1 1 52 GLU C C -3.421 -11.226 -8.757 . . . 1.0 . . . . . . . . . . . . A . 414 GLU C . . . . . . . . . c16596_2kqe 1 . 2 . 906 . 1 1 52 GLU CA C -3.444 -12.625 -9.404 . . . 1.0 . . . . . . . . . . . . A . 414 GLU CA . . . . . . . . . c16596_2kqe 1 . 2 . 907 . 1 1 52 GLU CB C -4.859 -12.980 -9.863 . . . 1.0 . . . . . . . . . . . . A . 414 GLU CB . . . . . . . . . c16596_2kqe 1 . 2 . 908 . 1 1 52 GLU CD C -6.120 -14.997 -10.626 . . . 1.0 . . . . . . . . . . . . A . 414 GLU CD . . . . . . . . . c16596_2kqe 1 . 2 . 909 . 1 1 52 GLU CG C -4.808 -14.221 -10.756 . . . 1.0 . . . . . . . . . . . . A . 414 GLU CG . . . . . . . . . c16596_2kqe 1 . 2 . 910 . 1 1 52 GLU H H -2.414 -14.371 -8.670 . . . 1.0 . . . . . . . . . . . . A . 414 GLU H . . . . . . . . . c16596_2kqe 1 . 2 . 911 . 1 1 52 GLU HA H -2.773 -12.655 -10.247 . . . 1.0 . . . . . . . . . . . . A . 414 GLU HA . . . . . . . . . c16596_2kqe 1 . 2 . 912 . 1 1 52 GLU HB2 H -5.478 -13.181 -9.001 . . . 1.0 . . . . . . . . . . . . A . 414 GLU HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 913 . 1 1 52 GLU HB3 H -5.274 -12.155 -10.421 . . . 1.0 . . . . . . . . . . . . A . 414 GLU HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 914 . 1 1 52 GLU HG2 H -4.668 -13.920 -11.784 . . . 1.0 . . . . . . . . . . . . A . 414 GLU HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 915 . 1 1 52 GLU HG3 H -3.988 -14.852 -10.450 . . . 1.0 . . . . . . . . . . . . A . 414 GLU HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 916 . 1 1 52 GLU N N -3.080 -13.696 -8.417 . . . 1.0 . . . . . . . . . . . . A . 414 GLU N . . . . . . . . . c16596_2kqe 1 . 2 . 917 . 1 1 52 GLU O O -4.403 -10.507 -8.796 . . . 1.0 . . . . . . . . . . . . A . 414 GLU O . . . . . . . . . c16596_2kqe 1 . 2 . 918 . 1 1 52 GLU OE1 O -7.158 -14.420 -10.905 . . . 1.0 . . . . . . . . . . . . A . 414 GLU OE1 . . . . . . . . . c16596_2kqe 1 . 2 . 919 . 1 1 52 GLU OE2 O -6.065 -16.157 -10.249 . . . 1.0 . . . . . . . . . . . . A . 414 GLU OE2 . . . . . . . . . c16596_2kqe 1 . 2 . 920 . 1 1 53 THR C C -1.059 -8.674 -8.113 . . . 1.0 . . . . . . . . . . . . A . 415 THR C . . . . . . . . . c16596_2kqe 1 . 2 . 921 . 1 1 53 THR CA C -2.244 -9.470 -7.542 . . . 1.0 . . . . . . . . . . . . A . 415 THR CA . . . . . . . . . c16596_2kqe 1 . 2 . 922 . 1 1 53 THR CB C -2.072 -9.722 -6.038 . . . 1.0 . . . . . . . . . . . . A . 415 THR CB . . . . . . . . . c16596_2kqe 1 . 2 . 923 . 1 1 53 THR CG2 C -0.791 -10.521 -5.776 . . . 1.0 . . . . . . . . . . . . A . 415 THR CG2 . . . . . . . . . c16596_2kqe 1 . 2 . 924 . 1 1 53 THR H H -1.520 -11.412 -8.155 . . . 1.0 . . . . . . . . . . . . A . 415 THR H . . . . . . . . . c16596_2kqe 1 . 2 . 925 . 1 1 53 THR HA H -3.162 -8.937 -7.723 . . . 1.0 . . . . . . . . . . . . A . 415 THR HA . . . . . . . . . c16596_2kqe 1 . 2 . 926 . 1 1 53 THR HB H -2.919 -10.283 -5.669 . . . 1.0 . . . . . . . . . . . . A . 415 THR HB . . . . . . . . . c16596_2kqe 1 . 2 . 927 . 1 1 53 THR HG1 H -2.891 -8.195 -5.146 . . . 1.0 . . . . . . . . . . . . A . 415 THR HG1 . . . . . . . . . c16596_2kqe 1 . 2 . 928 . 1 1 53 THR HG21 H -0.263 -10.091 -4.937 . . . 1.0 . . . . . . . . . . . . A . 415 THR HG21 . . . . . . . . . c16596_2kqe 1 . 2 . 929 . 1 1 53 THR HG22 H -0.160 -10.490 -6.652 . . . 1.0 . . . . . . . . . . . . A . 415 THR HG22 . . . . . . . . . c16596_2kqe 1 . 2 . 930 . 1 1 53 THR HG23 H -1.046 -11.547 -5.553 . . . 1.0 . . . . . . . . . . . . A . 415 THR HG23 . . . . . . . . . c16596_2kqe 1 . 2 . 931 . 1 1 53 THR N N -2.310 -10.828 -8.172 . . . 1.0 . . . . . . . . . . . . A . 415 THR N . . . . . . . . . c16596_2kqe 1 . 2 . 932 . 1 1 53 THR O O -0.372 -7.973 -7.400 . . . 1.0 . . . . . . . . . . . . A . 415 THR O . . . . . . . . . c16596_2kqe 1 . 2 . 933 . 1 1 53 THR OG1 O -1.996 -8.476 -5.357 . . . 1.0 . . . . . . . . . . . . A . 415 THR OG1 . . . . . . . . . c16596_2kqe 1 . 2 . 934 . 1 1 54 ASP C C 1.686 -8.319 -9.385 . . . 1.0 . . . . . . . . . . . . A . 416 ASP C . . . . . . . . . c16596_2kqe 1 . 2 . 935 . 1 1 54 ASP CA C 0.318 -8.035 -10.054 . . . 1.0 . . . . . . . . . . . . A . 416 ASP CA . . . . . . . . . c16596_2kqe 1 . 2 . 936 . 1 1 54 ASP CB C -0.037 -6.551 -9.916 . . . 1.0 . . . . . . . . . . . . A . 416 ASP CB . . . . . . . . . c16596_2kqe 1 . 2 . 937 . 1 1 54 ASP CG C -0.801 -6.088 -11.159 . . . 1.0 . . . . . . . . . . . . A . 416 ASP CG . . . . . . . . . c16596_2kqe 1 . 2 . 938 . 1 1 54 ASP H H -1.388 -9.348 -9.965 . . . 1.0 . . . . . . . . . . . . A . 416 ASP H . . . . . . . . . c16596_2kqe 1 . 2 . 939 . 1 1 54 ASP HA H 0.368 -8.291 -11.099 . . . 1.0 . . . . . . . . . . . . A . 416 ASP HA . . . . . . . . . c16596_2kqe 1 . 2 . 940 . 1 1 54 ASP HB2 H -0.652 -6.406 -9.041 . . . 1.0 . . . . . . . . . . . . A . 416 ASP HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 941 . 1 1 54 ASP HB3 H 0.869 -5.970 -9.819 . . . 1.0 . . . . . . . . . . . . A . 416 ASP HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 942 . 1 1 54 ASP N N -0.817 -8.779 -9.407 . . . 1.0 . . . . . . . . . . . . A . 416 ASP N . . . . . . . . . c16596_2kqe 1 . 2 . 943 . 1 1 54 ASP O O 2.593 -7.517 -9.505 . . . 1.0 . . . . . . . . . . . . A . 416 ASP O . . . . . . . . . c16596_2kqe 1 . 2 . 944 . 1 1 54 ASP OD1 O -1.968 -6.430 -11.273 . . . 1.0 . . . . . . . . . . . . A . 416 ASP OD1 . . . . . . . . . c16596_2kqe 1 . 2 . 945 . 1 1 54 ASP OD2 O -0.208 -5.401 -11.974 . . . 1.0 . . . . . . . . . . . . A . 416 ASP OD2 . . . . . . . . . c16596_2kqe 1 . 2 . 946 . 1 1 55 ASP C C 3.281 -8.711 -6.804 . . . 1.0 . . . . . . . . . . . . A . 417 ASP C . . . . . . . . . c16596_2kqe 1 . 2 . 947 . 1 1 55 ASP CA C 3.140 -9.707 -7.952 . . . 1.0 . . . . . . . . . . . . A . 417 ASP CA . . . . . . . . . c16596_2kqe 1 . 2 . 948 . 1 1 55 ASP CB C 4.278 -9.544 -8.976 . . . 1.0 . . . . . . . . . . . . A . 417 ASP CB . . . . . . . . . c16596_2kqe 1 . 2 . 949 . 1 1 55 ASP CG C 5.436 -10.474 -8.609 . . . 1.0 . . . . . . . . . . . . A . 417 ASP CG . . . . . . . . . c16596_2kqe 1 . 2 . 950 . 1 1 55 ASP H H 1.098 -10.017 -8.510 . . . 1.0 . . . . . . . . . . . . A . 417 ASP H . . . . . . . . . c16596_2kqe 1 . 2 . 951 . 1 1 55 ASP HA H 3.132 -10.715 -7.565 . . . 1.0 . . . . . . . . . . . . A . 417 ASP HA . . . . . . . . . c16596_2kqe 1 . 2 . 952 . 1 1 55 ASP HB2 H 3.913 -9.792 -9.962 . . . 1.0 . . . . . . . . . . . . A . 417 ASP HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 953 . 1 1 55 ASP HB3 H 4.626 -8.521 -8.968 . . . 1.0 . . . . . . . . . . . . A . 417 ASP HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 954 . 1 1 55 ASP N N 1.845 -9.417 -8.649 . . . 1.0 . . . . . . . . . . . . A . 417 ASP N . . . . . . . . . c16596_2kqe 1 . 2 . 955 . 1 1 55 ASP O O 4.307 -8.075 -6.643 . . . 1.0 . . . . . . . . . . . . A . 417 ASP O . . . . . . . . . c16596_2kqe 1 . 2 . 956 . 1 1 55 ASP OD1 O 5.378 -11.634 -8.983 . . . 1.0 . . . . . . . . . . . . A . 417 ASP OD1 . . . . . . . . . c16596_2kqe 1 . 2 . 957 . 1 1 55 ASP OD2 O 6.360 -10.011 -7.961 . . . 1.0 . . . . . . . . . . . . A . 417 ASP OD2 . . . . . . . . . c16596_2kqe 1 . 2 . 958 . 1 1 56 ARG C C 2.436 -8.351 -3.532 . . . 1.0 . . . . . . . . . . . . A . 418 ARG C . . . . . . . . . c16596_2kqe 1 . 2 . 959 . 1 1 56 ARG CA C 2.311 -7.600 -4.877 . . . 1.0 . . . . . . . . . . . . A . 418 ARG CA . . . . . . . . . c16596_2kqe 1 . 2 . 960 . 1 1 56 ARG CB C 1.013 -6.786 -4.945 . . . 1.0 . . . . . . . . . . . . A . 418 ARG CB . . . . . . . . . c16596_2kqe 1 . 2 . 961 . 1 1 56 ARG CD C 0.228 -4.530 -5.737 . . . 1.0 . . . . . . . . . . . . A . 418 ARG CD . . . . . . . . . c16596_2kqe 1 . 2 . 962 . 1 1 56 ARG CG C 1.137 -5.726 -6.049 . . . 1.0 . . . . . . . . . . . . A . 418 ARG CG . . . . . . . . . c16596_2kqe 1 . 2 . 963 . 1 1 56 ARG CZ C -1.676 -5.074 -7.201 . . . 1.0 . . . . . . . . . . . . A . 418 ARG CZ . . . . . . . . . c16596_2kqe 1 . 2 . 964 . 1 1 56 ARG H H 1.420 -9.088 -6.161 . . . 1.0 . . . . . . . . . . . . A . 418 ARG H . . . . . . . . . c16596_2kqe 1 . 2 . 965 . 1 1 56 ARG HA H 3.150 -6.954 -5.029 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HA . . . . . . . . . c16596_2kqe 1 . 2 . 966 . 1 1 56 ARG HB2 H 0.186 -7.444 -5.166 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 967 . 1 1 56 ARG HB3 H 0.844 -6.297 -3.998 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 968 . 1 1 56 ARG HD2 H -0.401 -4.745 -4.887 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HD2 . . . . . . . . . c16596_2kqe 1 . 2 . 969 . 1 1 56 ARG HD3 H 0.821 -3.649 -5.552 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HD3 . . . . . . . . . c16596_2kqe 1 . 2 . 970 . 1 1 56 ARG HE H -0.351 -3.631 -7.605 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HE . . . . . . . . . c16596_2kqe 1 . 2 . 971 . 1 1 56 ARG HG2 H 2.163 -5.390 -6.106 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 972 . 1 1 56 ARG HG3 H 0.851 -6.158 -6.995 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 973 . 1 1 56 ARG HH11 H -1.495 -6.244 -5.573 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HH11 . . . . . . . . . c16596_2kqe 1 . 2 . 974 . 1 1 56 ARG HH12 H -2.849 -6.583 -6.593 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HH12 . . . . . . . . . c16596_2kqe 1 . 2 . 975 . 1 1 56 ARG HH21 H -2.134 -4.118 -8.903 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HH21 . . . . . . . . . c16596_2kqe 1 . 2 . 976 . 1 1 56 ARG HH22 H -3.208 -5.399 -8.453 . . . 1.0 . . . . . . . . . . . . A . 418 ARG HH22 . . . . . . . . . c16596_2kqe 1 . 2 . 977 . 1 1 56 ARG N N 2.240 -8.563 -6.006 . . . 1.0 . . . . . . . . . . . . A . 418 ARG N . . . . . . . . . c16596_2kqe 1 . 2 . 978 . 1 1 56 ARG NE N -0.604 -4.333 -6.967 . . . 1.0 . . . . . . . . . . . . A . 418 ARG NE . . . . . . . . . c16596_2kqe 1 . 2 . 979 . 1 1 56 ARG NH1 N -2.032 -6.043 -6.390 . . . 1.0 . . . . . . . . . . . . A . 418 ARG NH1 . . . . . . . . . c16596_2kqe 1 . 2 . 980 . 1 1 56 ARG NH2 N -2.396 -4.846 -8.270 . . . 1.0 . . . . . . . . . . . . A . 418 ARG NH2 . . . . . . . . . c16596_2kqe 1 . 2 . 981 . 1 1 56 ARG O O 1.798 -9.367 -3.339 . . . 1.0 . . . . . . . . . . . . A . 418 ARG O . . . . . . . . . c16596_2kqe 1 . 2 . 982 . 1 1 57 PRO C C 2.319 -8.157 -0.350 . . . 1.0 . . . . . . . . . . . . A . 419 PRO C . . . . . . . . . c16596_2kqe 1 . 2 . 983 . 1 1 57 PRO CA C 3.471 -8.481 -1.328 . . . 1.0 . . . . . . . . . . . . A . 419 PRO CA . . . . . . . . . c16596_2kqe 1 . 2 . 984 . 1 1 57 PRO CB C 4.817 -7.927 -0.860 . . . 1.0 . . . . . . . . . . . . A . 419 PRO CB . . . . . . . . . c16596_2kqe 1 . 2 . 985 . 1 1 57 PRO CD C 4.073 -6.622 -2.776 . . . 1.0 . . . . . . . . . . . . A . 419 PRO CD . . . . . . . . . c16596_2kqe 1 . 2 . 986 . 1 1 57 PRO CG C 4.986 -6.619 -1.575 . . . 1.0 . . . . . . . . . . . . A . 419 PRO CG . . . . . . . . . c16596_2kqe 1 . 2 . 987 . 1 1 57 PRO HA H 3.549 -9.546 -1.454 . . . 1.0 . . . . . . . . . . . . A . 419 PRO HA . . . . . . . . . c16596_2kqe 1 . 2 . 988 . 1 1 57 PRO HB2 H 4.805 -7.772 0.211 . . . 1.0 . . . . . . . . . . . . A . 419 PRO HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 989 . 1 1 57 PRO HB3 H 5.614 -8.599 -1.133 . . . 1.0 . . . . . . . . . . . . A . 419 PRO HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 990 . 1 1 57 PRO HD2 H 3.435 -5.757 -2.766 . . . 1.0 . . . . . . . . . . . . A . 419 PRO HD2 . . . . . . . . . c16596_2kqe 1 . 2 . 991 . 1 1 57 PRO HD3 H 4.648 -6.661 -3.688 . . . 1.0 . . . . . . . . . . . . A . 419 PRO HD3 . . . . . . . . . c16596_2kqe 1 . 2 . 992 . 1 1 57 PRO HG2 H 4.728 -5.803 -0.918 . . . 1.0 . . . . . . . . . . . . A . 419 PRO HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 993 . 1 1 57 PRO HG3 H 6.009 -6.513 -1.902 . . . 1.0 . . . . . . . . . . . . A . 419 PRO HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 994 . 1 1 57 PRO N N 3.265 -7.835 -2.642 . . . 1.0 . . . . . . . . . . . . A . 419 PRO N . . . . . . . . . c16596_2kqe 1 . 2 . 995 . 1 1 57 PRO O O 1.376 -8.916 -0.262 . . . 1.0 . . . . . . . . . . . . A . 419 PRO O . . . . . . . . . c16596_2kqe 1 . 2 . 996 . 1 1 58 GLU C C 1.629 -5.458 2.181 . . . 1.0 . . . . . . . . . . . . A . 420 GLU C . . . . . . . . . c16596_2kqe 1 . 2 . 997 . 1 1 58 GLU CA C 1.244 -6.709 1.353 . . . 1.0 . . . . . . . . . . . . A . 420 GLU CA . . . . . . . . . c16596_2kqe 1 . 2 . 998 . 1 1 58 GLU CB C 1.078 -7.911 2.306 . . . 1.0 . . . . . . . . . . . . A . 420 GLU CB . . . . . . . . . c16596_2kqe 1 . 2 . 999 . 1 1 58 GLU CD C 2.447 -8.127 4.405 . . . 1.0 . . . . . . . . . . . . A . 420 GLU CD . . . . . . . . . c16596_2kqe 1 . 2 . 1000 . 1 1 58 GLU CG C 2.442 -8.330 2.886 . . . 1.0 . . . . . . . . . . . . A . 420 GLU CG . . . . . . . . . c16596_2kqe 1 . 2 . 1001 . 1 1 58 GLU H H 3.104 -6.419 0.317 . . . 1.0 . . . . . . . . . . . . A . 420 GLU H . . . . . . . . . c16596_2kqe 1 . 2 . 1002 . 1 1 58 GLU HA H 0.325 -6.534 0.815 . . . 1.0 . . . . . . . . . . . . A . 420 GLU HA . . . . . . . . . c16596_2kqe 1 . 2 . 1003 . 1 1 58 GLU HB2 H 0.415 -7.631 3.112 . . . 1.0 . . . . . . . . . . . . A . 420 GLU HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1004 . 1 1 58 GLU HB3 H 0.647 -8.742 1.771 . . . 1.0 . . . . . . . . . . . . A . 420 GLU HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1005 . 1 1 58 GLU HG2 H 2.620 -9.371 2.664 . . . 1.0 . . . . . . . . . . . . A . 420 GLU HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1006 . 1 1 58 GLU HG3 H 3.225 -7.730 2.445 . . . 1.0 . . . . . . . . . . . . A . 420 GLU HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 1007 . 1 1 58 GLU N N 2.362 -7.051 0.385 . . . 1.0 . . . . . . . . . . . . A . 420 GLU N . . . . . . . . . c16596_2kqe 1 . 2 . 1008 . 1 1 58 GLU O O 2.482 -5.535 3.046 . . . 1.0 . . . . . . . . . . . . A . 420 GLU O . . . . . . . . . c16596_2kqe 1 . 2 . 1009 . 1 1 58 GLU OE1 O 1.714 -8.832 5.079 . . . 1.0 . . . . . . . . . . . . A . 420 GLU OE1 . . . . . . . . . c16596_2kqe 1 . 2 . 1010 . 1 1 58 GLU OE2 O 3.183 -7.270 4.866 . . . 1.0 . . . . . . . . . . . . A . 420 GLU OE2 . . . . . . . . . c16596_2kqe 1 . 2 . 1011 . 1 1 59 CYS C C 1.244 -3.330 4.232 . . . 1.0 . . . . . . . . . . . . A . 421 CYS C . . . . . . . . . c16596_2kqe 1 . 2 . 1012 . 1 1 59 CYS CA C 1.390 -3.075 2.718 . . . 1.0 . . . . . . . . . . . . A . 421 CYS CA . . . . . . . . . c16596_2kqe 1 . 2 . 1013 . 1 1 59 CYS CB C 0.405 -1.975 2.281 . . . 1.0 . . . . . . . . . . . . A . 421 CYS CB . . . . . . . . . c16596_2kqe 1 . 2 . 1014 . 1 1 59 CYS H H 0.336 -4.259 1.226 . . . 1.0 . . . . . . . . . . . . A . 421 CYS H . . . . . . . . . c16596_2kqe 1 . 2 . 1015 . 1 1 59 CYS HA H 2.397 -2.775 2.481 . . . 1.0 . . . . . . . . . . . . A . 421 CYS HA . . . . . . . . . c16596_2kqe 1 . 2 . 1016 . 1 1 59 CYS HB2 H 0.450 -1.858 1.208 . . . 1.0 . . . . . . . . . . . . A . 421 CYS HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1017 . 1 1 59 CYS HB3 H -0.598 -2.258 2.567 . . . 1.0 . . . . . . . . . . . . A . 421 CYS HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1018 . 1 1 59 CYS N N 1.023 -4.312 1.929 . . . 1.0 . . . . . . . . . . . . A . 421 CYS N . . . . . . . . . c16596_2kqe 1 . 2 . 1019 . 1 1 59 CYS O O 0.268 -3.916 4.657 . . . 1.0 . . . . . . . . . . . . A . 421 CYS O . . . . . . . . . c16596_2kqe 1 . 2 . 1020 . 1 1 59 CYS SG S 0.837 -0.405 3.075 . . . 1.0 . . . . . . . . . . . . A . 421 CYS SG . . . . . . . . . c16596_2kqe 1 . 2 . 1021 . 1 1 60 PRO C C 1.053 -2.156 7.092 . . . 1.0 . . . . . . . . . . . . A . 422 PRO C . . . . . . . . . c16596_2kqe 1 . 2 . 1022 . 1 1 60 PRO CA C 2.140 -3.060 6.480 . . . 1.0 . . . . . . . . . . . . A . 422 PRO CA . . . . . . . . . c16596_2kqe 1 . 2 . 1023 . 1 1 60 PRO CB C 3.528 -2.648 6.967 . . . 1.0 . . . . . . . . . . . . A . 422 PRO CB . . . . . . . . . c16596_2kqe 1 . 2 . 1024 . 1 1 60 PRO CD C 3.433 -2.152 4.610 . . . 1.0 . . . . . . . . . . . . A . 422 PRO CD . . . . . . . . . c16596_2kqe 1 . 2 . 1025 . 1 1 60 PRO CG C 4.047 -1.722 5.916 . . . 1.0 . . . . . . . . . . . . A . 422 PRO CG . . . . . . . . . c16596_2kqe 1 . 2 . 1026 . 1 1 60 PRO HA H 1.957 -4.094 6.723 . . . 1.0 . . . . . . . . . . . . A . 422 PRO HA . . . . . . . . . c16596_2kqe 1 . 2 . 1027 . 1 1 60 PRO HB2 H 3.455 -2.139 7.918 . . . 1.0 . . . . . . . . . . . . A . 422 PRO HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1028 . 1 1 60 PRO HB3 H 4.171 -3.511 7.048 . . . 1.0 . . . . . . . . . . . . A . 422 PRO HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1029 . 1 1 60 PRO HD2 H 3.190 -1.289 4.004 . . . 1.0 . . . . . . . . . . . . A . 422 PRO HD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1030 . 1 1 60 PRO HD3 H 4.098 -2.815 4.078 . . . 1.0 . . . . . . . . . . . . A . 422 PRO HD3 . . . . . . . . . c16596_2kqe 1 . 2 . 1031 . 1 1 60 PRO HG2 H 3.759 -0.706 6.147 . . . 1.0 . . . . . . . . . . . . A . 422 PRO HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1032 . 1 1 60 PRO HG3 H 5.121 -1.797 5.854 . . . 1.0 . . . . . . . . . . . . A . 422 PRO HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 1033 . 1 1 60 PRO N N 2.209 -2.873 5.008 . . . 1.0 . . . . . . . . . . . . A . 422 PRO N . . . . . . . . . c16596_2kqe 1 . 2 . 1034 . 1 1 60 PRO O O 0.406 -2.533 8.051 . . . 1.0 . . . . . . . . . . . . A . 422 PRO O . . . . . . . . . c16596_2kqe 1 . 2 . 1035 . 1 1 61 TYR C C -1.602 -0.787 7.105 . . . 1.0 . . . . . . . . . . . . A . 423 TYR C . . . . . . . . . c16596_2kqe 1 . 2 . 1036 . 1 1 61 TYR CA C -0.236 -0.070 7.119 . . . 1.0 . . . . . . . . . . . . A . 423 TYR CA . . . . . . . . . c16596_2kqe 1 . 2 . 1037 . 1 1 61 TYR CB C -0.266 1.192 6.230 . . . 1.0 . . . . . . . . . . . . A . 423 TYR CB . . . . . . . . . c16596_2kqe 1 . 2 . 1038 . 1 1 61 TYR CD1 C 1.687 2.117 7.576 . . . 1.0 . . . . . . . . . . . . A . 423 TYR CD1 . . . . . . . . . c16596_2kqe 1 . 2 . 1039 . 1 1 61 TYR CD2 C 1.688 2.386 5.121 . . . 1.0 . . . . . . . . . . . . A . 423 TYR CD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1040 . 1 1 61 TYR CE1 C 2.926 2.805 7.655 . . . 1.0 . . . . . . . . . . . . A . 423 TYR CE1 . . . . . . . . . c16596_2kqe 1 . 2 . 1041 . 1 1 61 TYR CE2 C 2.928 3.076 5.207 . . . 1.0 . . . . . . . . . . . . A . 423 TYR CE2 . . . . . . . . . c16596_2kqe 1 . 2 . 1042 . 1 1 61 TYR CG C 1.066 1.904 6.310 . . . 1.0 . . . . . . . . . . . . A . 423 TYR CG . . . . . . . . . c16596_2kqe 1 . 2 . 1043 . 1 1 61 TYR CZ C 3.546 3.283 6.473 . . . 1.0 . . . . . . . . . . . . A . 423 TYR CZ . . . . . . . . . c16596_2kqe 1 . 2 . 1044 . 1 1 61 TYR H H 1.354 -0.681 5.761 . . . 1.0 . . . . . . . . . . . . A . 423 TYR H . . . . . . . . . c16596_2kqe 1 . 2 . 1045 . 1 1 61 TYR HA H 0.022 0.203 8.129 . . . 1.0 . . . . . . . . . . . . A . 423 TYR HA . . . . . . . . . c16596_2kqe 1 . 2 . 1046 . 1 1 61 TYR HB2 H -0.457 0.912 5.207 . . . 1.0 . . . . . . . . . . . . A . 423 TYR HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1047 . 1 1 61 TYR HB3 H -1.042 1.862 6.570 . . . 1.0 . . . . . . . . . . . . A . 423 TYR HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1048 . 1 1 61 TYR HD1 H 1.216 1.753 8.476 . . . 1.0 . . . . . . . . . . . . A . 423 TYR HD1 . . . . . . . . . c16596_2kqe 1 . 2 . 1049 . 1 1 61 TYR HD2 H 1.218 2.228 4.153 . . . 1.0 . . . . . . . . . . . . A . 423 TYR HD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1050 . 1 1 61 TYR HE1 H 3.392 2.979 8.618 . . . 1.0 . . . . . . . . . . . . A . 423 TYR HE1 . . . . . . . . . c16596_2kqe 1 . 2 . 1051 . 1 1 61 TYR HE2 H 3.395 3.454 4.314 . . . 1.0 . . . . . . . . . . . . A . 423 TYR HE2 . . . . . . . . . c16596_2kqe 1 . 2 . 1052 . 1 1 61 TYR HH H 5.446 3.326 6.330 . . . 1.0 . . . . . . . . . . . . A . 423 TYR HH . . . . . . . . . c16596_2kqe 1 . 2 . 1053 . 1 1 61 TYR N N 0.832 -0.972 6.545 . . . 1.0 . . . . . . . . . . . . A . 423 TYR N . . . . . . . . . c16596_2kqe 1 . 2 . 1054 . 1 1 61 TYR O O -2.363 -0.684 8.049 . . . 1.0 . . . . . . . . . . . . A . 423 TYR O . . . . . . . . . c16596_2kqe 1 . 2 . 1055 . 1 1 61 TYR OH O 4.750 3.946 6.555 . . . 1.0 . . . . . . . . . . . . A . 423 TYR OH . . . . . . . . . c16596_2kqe 1 . 2 . 1056 . 1 1 62 GLY C C -4.340 -1.356 5.485 . . . 1.0 . . . . . . . . . . . . A . 424 GLY C . . . . . . . . . c16596_2kqe 1 . 2 . 1057 . 1 1 62 GLY CA C -3.215 -2.264 6.018 . . . 1.0 . . . . . . . . . . . . A . 424 GLY CA . . . . . . . . . c16596_2kqe 1 . 2 . 1058 . 1 1 62 GLY H H -1.280 -1.619 5.311 . . . 1.0 . . . . . . . . . . . . A . 424 GLY H . . . . . . . . . c16596_2kqe 1 . 2 . 1059 . 1 1 62 GLY HA2 H -3.118 -3.125 5.372 . . . 1.0 . . . . . . . . . . . . A . 424 GLY HA2 . . . . . . . . . c16596_2kqe 1 . 2 . 1060 . 1 1 62 GLY HA3 H -3.465 -2.594 7.014 . . . 1.0 . . . . . . . . . . . . A . 424 GLY HA3 . . . . . . . . . c16596_2kqe 1 . 2 . 1061 . 1 1 62 GLY N N -1.912 -1.529 6.058 . . . 1.0 . . . . . . . . . . . . A . 424 GLY N . . . . . . . . . c16596_2kqe 1 . 2 . 1062 . 1 1 62 GLY O O -4.110 -0.551 4.606 . . . 1.0 . . . . . . . . . . . . A . 424 GLY O . . . . . . . . . c16596_2kqe 1 . 2 . 1063 . 1 1 63 PRO C C -6.542 0.772 5.975 . . . 1.0 . . . . . . . . . . . . A . 425 PRO C . . . . . . . . . c16596_2kqe 1 . 2 . 1064 . 1 1 63 PRO CA C -6.700 -0.707 5.575 . . . 1.0 . . . . . . . . . . . . A . 425 PRO CA . . . . . . . . . c16596_2kqe 1 . 2 . 1065 . 1 1 63 PRO CB C -7.888 -1.344 6.293 . . . 1.0 . . . . . . . . . . . . A . 425 PRO CB . . . . . . . . . c16596_2kqe 1 . 2 . 1066 . 1 1 63 PRO CD C -5.921 -2.460 7.099 . . . 1.0 . . . . . . . . . . . . A . 425 PRO CD . . . . . . . . . c16596_2kqe 1 . 2 . 1067 . 1 1 63 PRO CG C -7.298 -2.006 7.493 . . . 1.0 . . . . . . . . . . . . A . 425 PRO CG . . . . . . . . . c16596_2kqe 1 . 2 . 1068 . 1 1 63 PRO HA H -6.828 -0.797 4.509 . . . 1.0 . . . . . . . . . . . . A . 425 PRO HA . . . . . . . . . c16596_2kqe 1 . 2 . 1069 . 1 1 63 PRO HB2 H -8.598 -0.584 6.589 . . . 1.0 . . . . . . . . . . . . A . 425 PRO HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1070 . 1 1 63 PRO HB3 H -8.361 -2.080 5.661 . . . 1.0 . . . . . . . . . . . . A . 425 PRO HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1071 . 1 1 63 PRO HD2 H -5.243 -2.383 7.938 . . . 1.0 . . . . . . . . . . . . A . 425 PRO HD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1072 . 1 1 63 PRO HD3 H -5.946 -3.469 6.717 . . . 1.0 . . . . . . . . . . . . A . 425 PRO HD3 . . . . . . . . . c16596_2kqe 1 . 2 . 1073 . 1 1 63 PRO HG2 H -7.241 -1.303 8.312 . . . 1.0 . . . . . . . . . . . . A . 425 PRO HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1074 . 1 1 63 PRO HG3 H -7.895 -2.860 7.778 . . . 1.0 . . . . . . . . . . . . A . 425 PRO HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 1075 . 1 1 63 PRO N N -5.535 -1.522 6.028 . . . 1.0 . . . . . . . . . . . . A . 425 PRO N . . . . . . . . . c16596_2kqe 1 . 2 . 1076 . 1 1 63 PRO O O -6.996 1.652 5.268 . . . 1.0 . . . . . . . . . . . . A . 425 PRO O . . . . . . . . . c16596_2kqe 1 . 2 . 1077 . 1 1 64 SER C C -4.416 3.048 6.953 . . . 1.0 . . . . . . . . . . . . A . 426 SER C . . . . . . . . . c16596_2kqe 1 . 2 . 1078 . 1 1 64 SER CA C -5.735 2.498 7.518 . . . 1.0 . . . . . . . . . . . . A . 426 SER CA . . . . . . . . . c16596_2kqe 1 . 2 . 1079 . 1 1 64 SER CB C -5.705 2.494 9.052 . . . 1.0 . . . . . . . . . . . . A . 426 SER CB . . . . . . . . . c16596_2kqe 1 . 2 . 1080 . 1 1 64 SER H H -5.554 0.347 7.654 . . . 1.0 . . . . . . . . . . . . A . 426 SER H . . . . . . . . . c16596_2kqe 1 . 2 . 1081 . 1 1 64 SER HA H -6.567 3.090 7.167 . . . 1.0 . . . . . . . . . . . . A . 426 SER HA . . . . . . . . . c16596_2kqe 1 . 2 . 1082 . 1 1 64 SER HB2 H -5.927 3.481 9.422 . . . 1.0 . . . . . . . . . . . . A . 426 SER HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1083 . 1 1 64 SER HB3 H -6.445 1.797 9.424 . . . 1.0 . . . . . . . . . . . . A . 426 SER HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1084 . 1 1 64 SER HG H -4.483 1.806 10.402 . . . 1.0 . . . . . . . . . . . . A . 426 SER HG . . . . . . . . . c16596_2kqe 1 . 2 . 1085 . 1 1 64 SER N N -5.908 1.063 7.096 . . . 1.0 . . . . . . . . . . . . A . 426 SER N . . . . . . . . . c16596_2kqe 1 . 2 . 1086 . 1 1 64 SER O O -3.577 3.540 7.684 . . . 1.0 . . . . . . . . . . . . A . 426 SER O . . . . . . . . . c16596_2kqe 1 . 2 . 1087 . 1 1 64 SER OG O -4.409 2.110 9.494 . . . 1.0 . . . . . . . . . . . . A . 426 SER OG . . . . . . . . . c16596_2kqe 1 . 2 . 1088 . 1 1 65 CYS C C -3.114 4.975 4.687 . . . 1.0 . . . . . . . . . . . . A . 427 CYS C . . . . . . . . . c16596_2kqe 1 . 2 . 1089 . 1 1 65 CYS CA C -2.965 3.486 5.042 . . . 1.0 . . . . . . . . . . . . A . 427 CYS CA . . . . . . . . . c16596_2kqe 1 . 2 . 1090 . 1 1 65 CYS CB C -2.723 2.657 3.773 . . . 1.0 . . . . . . . . . . . . A . 427 CYS CB . . . . . . . . . c16596_2kqe 1 . 2 . 1091 . 1 1 65 CYS H H -4.917 2.572 5.088 . . . 1.0 . . . . . . . . . . . . A . 427 CYS H . . . . . . . . . c16596_2kqe 1 . 2 . 1092 . 1 1 65 CYS HA H -2.135 3.352 5.724 . . . 1.0 . . . . . . . . . . . . A . 427 CYS HA . . . . . . . . . c16596_2kqe 1 . 2 . 1093 . 1 1 65 CYS HB2 H -2.786 1.605 4.010 . . . 1.0 . . . . . . . . . . . . A . 427 CYS HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1094 . 1 1 65 CYS HB3 H -3.466 2.905 3.030 . . . 1.0 . . . . . . . . . . . . A . 427 CYS HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1095 . 1 1 65 CYS N N -4.228 2.967 5.654 . . . 1.0 . . . . . . . . . . . . A . 427 CYS N . . . . . . . . . c16596_2kqe 1 . 2 . 1096 . 1 1 65 CYS O O -3.669 5.327 3.664 . . . 1.0 . . . . . . . . . . . . A . 427 CYS O . . . . . . . . . c16596_2kqe 1 . 2 . 1097 . 1 1 65 CYS SG S -1.077 3.032 3.127 . . . 1.0 . . . . . . . . . . . . A . 427 CYS SG . . . . . . . . . c16596_2kqe 1 . 2 . 1098 . 1 1 66 TYR C C -1.825 7.745 4.005 . . . 1.0 . . . . . . . . . . . . A . 428 TYR C . . . . . . . . . c16596_2kqe 1 . 2 . 1099 . 1 1 66 TYR CA C -2.691 7.338 5.241 . . . 1.0 . . . . . . . . . . . . A . 428 TYR CA . . . . . . . . . c16596_2kqe 1 . 2 . 1100 . 1 1 66 TYR CB C -2.236 8.075 6.558 . . . 1.0 . . . . . . . . . . . . A . 428 TYR CB . . . . . . . . . c16596_2kqe 1 . 2 . 1101 . 1 1 66 TYR CD1 C -1.218 10.282 5.796 . . . 1.0 . . . . . . . . . . . . A . 428 TYR CD1 . . . . . . . . . c16596_2kqe 1 . 2 . 1102 . 1 1 66 TYR CD2 C 0.289 8.508 6.608 . . . 1.0 . . . . . . . . . . . . A . 428 TYR CD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1103 . 1 1 66 TYR CE1 C -0.095 11.116 5.544 . . . 1.0 . . . . . . . . . . . . A . 428 TYR CE1 . . . . . . . . . c16596_2kqe 1 . 2 . 1104 . 1 1 66 TYR CE2 C 1.399 9.342 6.357 . . . 1.0 . . . . . . . . . . . . A . 428 TYR CE2 . . . . . . . . . c16596_2kqe 1 . 2 . 1105 . 1 1 66 TYR CG C -1.028 8.975 6.327 . . . 1.0 . . . . . . . . . . . . A . 428 TYR CG . . . . . . . . . c16596_2kqe 1 . 2 . 1106 . 1 1 66 TYR CZ C 1.214 10.644 5.822 . . . 1.0 . . . . . . . . . . . . A . 428 TYR CZ . . . . . . . . . c16596_2kqe 1 . 2 . 1107 . 1 1 66 TYR H H -2.163 5.533 6.335 . . . 1.0 . . . . . . . . . . . . A . 428 TYR H . . . . . . . . . c16596_2kqe 1 . 2 . 1108 . 1 1 66 TYR HA H -3.721 7.592 5.041 . . . 1.0 . . . . . . . . . . . . A . 428 TYR HA . . . . . . . . . c16596_2kqe 1 . 2 . 1109 . 1 1 66 TYR HB2 H -3.053 8.681 6.916 . . . 1.0 . . . . . . . . . . . . A . 428 TYR HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1110 . 1 1 66 TYR HB3 H -1.990 7.346 7.313 . . . 1.0 . . . . . . . . . . . . A . 428 TYR HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1111 . 1 1 66 TYR HD1 H -2.214 10.638 5.584 . . . 1.0 . . . . . . . . . . . . A . 428 TYR HD1 . . . . . . . . . c16596_2kqe 1 . 2 . 1112 . 1 1 66 TYR HD2 H 0.449 7.523 7.027 . . . 1.0 . . . . . . . . . . . . A . 428 TYR HD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1113 . 1 1 66 TYR HE1 H -0.239 12.108 5.141 . . . 1.0 . . . . . . . . . . . . A . 428 TYR HE1 . . . . . . . . . c16596_2kqe 1 . 2 . 1114 . 1 1 66 TYR HE2 H 2.385 8.978 6.559 . . . 1.0 . . . . . . . . . . . . A . 428 TYR HE2 . . . . . . . . . c16596_2kqe 1 . 2 . 1115 . 1 1 66 TYR HH H 2.274 12.190 6.193 . . . 1.0 . . . . . . . . . . . . A . 428 TYR HH . . . . . . . . . c16596_2kqe 1 . 2 . 1116 . 1 1 66 TYR N N -2.602 5.852 5.526 . . . 1.0 . . . . . . . . . . . . A . 428 TYR N . . . . . . . . . c16596_2kqe 1 . 2 . 1117 . 1 1 66 TYR O O -1.916 8.873 3.555 . . . 1.0 . . . . . . . . . . . . A . 428 TYR O . . . . . . . . . c16596_2kqe 1 . 2 . 1118 . 1 1 66 TYR OH O 2.306 11.453 5.577 . . . 1.0 . . . . . . . . . . . . A . 428 TYR OH . . . . . . . . . c16596_2kqe 1 . 2 . 1119 . 1 1 67 ARG C C -0.842 6.690 0.971 . . . 1.0 . . . . . . . . . . . . A . 429 ARG C . . . . . . . . . c16596_2kqe 1 . 2 . 1120 . 1 1 67 ARG CA C -0.205 7.265 2.245 . . . 1.0 . . . . . . . . . . . . A . 429 ARG CA . . . . . . . . . c16596_2kqe 1 . 2 . 1121 . 1 1 67 ARG CB C 1.218 6.710 2.467 . . . 1.0 . . . . . . . . . . . . A . 429 ARG CB . . . . . . . . . c16596_2kqe 1 . 2 . 1122 . 1 1 67 ARG CD C 2.630 4.641 2.276 . . . 1.0 . . . . . . . . . . . . A . 429 ARG CD . . . . . . . . . c16596_2kqe 1 . 2 . 1123 . 1 1 67 ARG CG C 1.210 5.174 2.523 . . . 1.0 . . . . . . . . . . . . A . 429 ARG CG . . . . . . . . . c16596_2kqe 1 . 2 . 1124 . 1 1 67 ARG CZ C 4.323 5.170 0.562 . . . 1.0 . . . . . . . . . . . . A . 429 ARG CZ . . . . . . . . . c16596_2kqe 1 . 2 . 1125 . 1 1 67 ARG H H -0.959 5.953 3.771 . . . 1.0 . . . . . . . . . . . . A . 429 ARG H . . . . . . . . . c16596_2kqe 1 . 2 . 1126 . 1 1 67 ARG HA H -0.166 8.342 2.178 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HA . . . . . . . . . c16596_2kqe 1 . 2 . 1127 . 1 1 67 ARG HB2 H 1.853 7.029 1.654 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1128 . 1 1 67 ARG HB3 H 1.608 7.096 3.396 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1129 . 1 1 67 ARG HD2 H 3.301 5.022 3.030 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1130 . 1 1 67 ARG HD3 H 2.628 3.563 2.295 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HD3 . . . . . . . . . c16596_2kqe 1 . 2 . 1131 . 1 1 67 ARG HE H 2.362 5.427 0.264 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HE . . . . . . . . . c16596_2kqe 1 . 2 . 1132 . 1 1 67 ARG HG2 H 0.872 4.851 3.497 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1133 . 1 1 67 ARG HG3 H 0.550 4.785 1.766 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 1134 . 1 1 67 ARG HH11 H 5.041 4.400 2.280 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HH11 . . . . . . . . . c16596_2kqe 1 . 2 . 1135 . 1 1 67 ARG HH12 H 6.225 4.799 1.085 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HH12 . . . . . . . . . c16596_2kqe 1 . 2 . 1136 . 1 1 67 ARG HH21 H 3.951 5.937 -1.252 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HH21 . . . . . . . . . c16596_2kqe 1 . 2 . 1137 . 1 1 67 ARG HH22 H 5.620 5.651 -0.890 . . . 1.0 . . . . . . . . . . . . A . 429 ARG HH22 . . . . . . . . . c16596_2kqe 1 . 2 . 1138 . 1 1 67 ARG N N -1.013 6.865 3.440 . . . 1.0 . . . . . . . . . . . . A . 429 ARG N . . . . . . . . . c16596_2kqe 1 . 2 . 1139 . 1 1 67 ARG NE N 3.045 5.129 0.911 . . . 1.0 . . . . . . . . . . . . A . 429 ARG NE . . . . . . . . . c16596_2kqe 1 . 2 . 1140 . 1 1 67 ARG NH1 N 5.269 4.756 1.375 . . . 1.0 . . . . . . . . . . . . A . 429 ARG NH1 . . . . . . . . . c16596_2kqe 1 . 2 . 1141 . 1 1 67 ARG NH2 N 4.658 5.622 -0.619 . . . 1.0 . . . . . . . . . . . . A . 429 ARG NH2 . . . . . . . . . c16596_2kqe 1 . 2 . 1142 . 1 1 67 ARG O O -1.333 5.576 0.966 . . . 1.0 . . . . . . . . . . . . A . 429 ARG O . . . . . . . . . c16596_2kqe 1 . 2 . 1143 . 1 1 68 LYS C C -0.636 7.392 -2.573 . . . 1.0 . . . . . . . . . . . . A . 430 LYS C . . . . . . . . . c16596_2kqe 1 . 2 . 1144 . 1 1 68 LYS CA C -1.467 6.935 -1.368 . . . 1.0 . . . . . . . . . . . . A . 430 LYS CA . . . . . . . . . c16596_2kqe 1 . 2 . 1145 . 1 1 68 LYS CB C -2.869 7.540 -1.402 . . . 1.0 . . . . . . . . . . . . A . 430 LYS CB . . . . . . . . . c16596_2kqe 1 . 2 . 1146 . 1 1 68 LYS CD C -5.238 7.211 -0.665 . . . 1.0 . . . . . . . . . . . . A . 430 LYS CD . . . . . . . . . c16596_2kqe 1 . 2 . 1147 . 1 1 68 LYS CE C -6.028 6.594 0.493 . . . 1.0 . . . . . . . . . . . . A . 430 LYS CE . . . . . . . . . c16596_2kqe 1 . 2 . 1148 . 1 1 68 LYS CG C -3.848 6.576 -0.729 . . . 1.0 . . . . . . . . . . . . A . 430 LYS CG . . . . . . . . . c16596_2kqe 1 . 2 . 1149 . 1 1 68 LYS H H -0.464 8.347 -0.089 . . . 1.0 . . . . . . . . . . . . A . 430 LYS H . . . . . . . . . c16596_2kqe 1 . 2 . 1150 . 1 1 68 LYS HA H -1.531 5.858 -1.344 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HA . . . . . . . . . c16596_2kqe 1 . 2 . 1151 . 1 1 68 LYS HB2 H -2.868 8.483 -0.875 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1152 . 1 1 68 LYS HB3 H -3.170 7.698 -2.426 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1153 . 1 1 68 LYS HD2 H -5.141 8.276 -0.511 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1154 . 1 1 68 LYS HD3 H -5.761 7.027 -1.593 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HD3 . . . . . . . . . c16596_2kqe 1 . 2 . 1155 . 1 1 68 LYS HE2 H -5.352 6.161 1.217 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HE2 . . . . . . . . . c16596_2kqe 1 . 2 . 1156 . 1 1 68 LYS HE3 H -6.655 7.338 0.959 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HE3 . . . . . . . . . c16596_2kqe 1 . 2 . 1157 . 1 1 68 LYS HG2 H -3.898 5.658 -1.296 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1158 . 1 1 68 LYS HG3 H -3.509 6.361 0.273 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 1159 . 1 1 68 LYS HZ1 H -7.522 5.148 0.574 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HZ1 . . . . . . . . . c16596_2kqe 1 . 2 . 1160 . 1 1 68 LYS HZ2 H -6.258 4.778 -0.497 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HZ2 . . . . . . . . . c16596_2kqe 1 . 2 . 1161 . 1 1 68 LYS HZ3 H -7.416 5.948 -0.917 . . . 1.0 . . . . . . . . . . . . A . 430 LYS HZ3 . . . . . . . . . c16596_2kqe 1 . 2 . 1162 . 1 1 68 LYS N N -0.853 7.444 -0.108 . . . 1.0 . . . . . . . . . . . . A . 430 LYS N . . . . . . . . . c16596_2kqe 1 . 2 . 1163 . 1 1 68 LYS NZ N -6.869 5.538 -0.134 . . . 1.0 . . . . . . . . . . . . A . 430 LYS NZ . . . . . . . . . c16596_2kqe 1 . 2 . 1164 . 1 1 68 LYS O O -1.072 8.212 -3.359 . . . 1.0 . . . . . . . . . . . . A . 430 LYS O . . . . . . . . . c16596_2kqe 1 . 2 . 1165 . 1 1 69 ASN C C 1.120 6.322 -5.076 . . . 1.0 . . . . . . . . . . . . A . 431 ASN C . . . . . . . . . c16596_2kqe 1 . 2 . 1166 . 1 1 69 ASN CA C 1.410 7.260 -3.899 . . . 1.0 . . . . . . . . . . . . A . 431 ASN CA . . . . . . . . . c16596_2kqe 1 . 2 . 1167 . 1 1 69 ASN CB C 2.865 7.107 -3.428 . . . 1.0 . . . . . . . . . . . . A . 431 ASN CB . . . . . . . . . c16596_2kqe 1 . 2 . 1168 . 1 1 69 ASN CG C 3.176 8.176 -2.373 . . . 1.0 . . . . . . . . . . . . A . 431 ASN CG . . . . . . . . . c16596_2kqe 1 . 2 . 1169 . 1 1 69 ASN H H 0.885 6.185 -2.087 . . . 1.0 . . . . . . . . . . . . A . 431 ASN H . . . . . . . . . c16596_2kqe 1 . 2 . 1170 . 1 1 69 ASN HA H 1.214 8.284 -4.174 . . . 1.0 . . . . . . . . . . . . A . 431 ASN HA . . . . . . . . . c16596_2kqe 1 . 2 . 1171 . 1 1 69 ASN HB2 H 3.000 6.125 -2.997 . . . 1.0 . . . . . . . . . . . . A . 431 ASN HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1172 . 1 1 69 ASN HB3 H 3.533 7.224 -4.265 . . . 1.0 . . . . . . . . . . . . A . 431 ASN HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1173 . 1 1 69 ASN HD21 H 4.687 8.989 -3.395 . . . 1.0 . . . . . . . . . . . . A . 431 ASN HD21 . . . . . . . . . c16596_2kqe 1 . 2 . 1174 . 1 1 69 ASN HD22 H 4.348 9.710 -1.897 . . . 1.0 . . . . . . . . . . . . A . 431 ASN HD22 . . . . . . . . . c16596_2kqe 1 . 2 . 1175 . 1 1 69 ASN N N 0.557 6.858 -2.731 . . . 1.0 . . . . . . . . . . . . A . 431 ASN N . . . . . . . . . c16596_2kqe 1 . 2 . 1176 . 1 1 69 ASN ND2 N 4.151 9.028 -2.572 . . . 1.0 . . . . . . . . . . . . A . 431 ASN ND2 . . . . . . . . . c16596_2kqe 1 . 2 . 1177 . 1 1 69 ASN O O 0.520 5.281 -4.886 . . . 1.0 . . . . . . . . . . . . A . 431 ASN O . . . . . . . . . c16596_2kqe 1 . 2 . 1178 . 1 1 69 ASN OD1 O 2.524 8.236 -1.350 . . . 1.0 . . . . . . . . . . . . A . 431 ASN OD1 . . . . . . . . . c16596_2kqe 1 . 2 . 1179 . 1 1 70 PRO C C 2.093 4.527 -7.313 . . . 1.0 . . . . . . . . . . . . A . 432 PRO C . . . . . . . . . c16596_2kqe 1 . 2 . 1180 . 1 1 70 PRO CA C 1.304 5.840 -7.440 . . . 1.0 . . . . . . . . . . . . A . 432 PRO CA . . . . . . . . . c16596_2kqe 1 . 2 . 1181 . 1 1 70 PRO CB C 1.775 6.692 -8.619 . . . 1.0 . . . . . . . . . . . . A . 432 PRO CB . . . . . . . . . c16596_2kqe 1 . 2 . 1182 . 1 1 70 PRO CD C 2.287 7.926 -6.619 . . . 1.0 . . . . . . . . . . . . A . 432 PRO CD . . . . . . . . . c16596_2kqe 1 . 2 . 1183 . 1 1 70 PRO CG C 2.742 7.667 -8.033 . . . 1.0 . . . . . . . . . . . . A . 432 PRO CG . . . . . . . . . c16596_2kqe 1 . 2 . 1184 . 1 1 70 PRO HA H 0.250 5.632 -7.537 . . . 1.0 . . . . . . . . . . . . A . 432 PRO HA . . . . . . . . . c16596_2kqe 1 . 2 . 1185 . 1 1 70 PRO HB2 H 2.264 6.071 -9.358 . . . 1.0 . . . . . . . . . . . . A . 432 PRO HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1186 . 1 1 70 PRO HB3 H 0.942 7.219 -9.059 . . . 1.0 . . . . . . . . . . . . A . 432 PRO HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1187 . 1 1 70 PRO HD2 H 3.139 8.068 -5.971 . . . 1.0 . . . . . . . . . . . . A . 432 PRO HD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1188 . 1 1 70 PRO HD3 H 1.630 8.780 -6.582 . . . 1.0 . . . . . . . . . . . . A . 432 PRO HD3 . . . . . . . . . c16596_2kqe 1 . 2 . 1189 . 1 1 70 PRO HG2 H 3.740 7.251 -8.037 . . . 1.0 . . . . . . . . . . . . A . 432 PRO HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1190 . 1 1 70 PRO HG3 H 2.724 8.588 -8.593 . . . 1.0 . . . . . . . . . . . . A . 432 PRO HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 1191 . 1 1 70 PRO N N 1.549 6.701 -6.261 . . . 1.0 . . . . . . . . . . . . A . 432 PRO N . . . . . . . . . c16596_2kqe 1 . 2 . 1192 . 1 1 70 PRO O O 1.537 3.458 -7.477 . . . 1.0 . . . . . . . . . . . . A . 432 PRO O . . . . . . . . . c16596_2kqe 1 . 2 . 1193 . 1 1 71 GLN C C 3.825 2.572 -5.575 . . . 1.0 . . . . . . . . . . . . A . 433 GLN C . . . . . . . . . c16596_2kqe 1 . 2 . 1194 . 1 1 71 GLN CA C 4.168 3.323 -6.887 . . . 1.0 . . . . . . . . . . . . A . 433 GLN CA . . . . . . . . . c16596_2kqe 1 . 2 . 1195 . 1 1 71 GLN CB C 5.663 3.721 -6.950 . . . 1.0 . . . . . . . . . . . . A . 433 GLN CB . . . . . . . . . c16596_2kqe 1 . 2 . 1196 . 1 1 71 GLN CD C 6.291 3.559 -4.515 . . . 1.0 . . . . . . . . . . . . A . 433 GLN CD . . . . . . . . . c16596_2kqe 1 . 2 . 1197 . 1 1 71 GLN CG C 6.097 4.509 -5.700 . . . 1.0 . . . . . . . . . . . . A . 433 GLN CG . . . . . . . . . c16596_2kqe 1 . 2 . 1198 . 1 1 71 GLN H H 3.819 5.449 -6.897 . . . 1.0 . . . . . . . . . . . . A . 433 GLN H . . . . . . . . . c16596_2kqe 1 . 2 . 1199 . 1 1 71 GLN HA H 3.952 2.692 -7.724 . . . 1.0 . . . . . . . . . . . . A . 433 GLN HA . . . . . . . . . c16596_2kqe 1 . 2 . 1200 . 1 1 71 GLN HB2 H 6.258 2.829 -7.043 . . . 1.0 . . . . . . . . . . . . A . 433 GLN HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1201 . 1 1 71 GLN HB3 H 5.822 4.336 -7.826 . . . 1.0 . . . . . . . . . . . . A . 433 GLN HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1202 . 1 1 71 GLN HE21 H 7.477 2.285 -5.490 . . . 1.0 . . . . . . . . . . . . A . 433 GLN HE21 . . . . . . . . . c16596_2kqe 1 . 2 . 1203 . 1 1 71 GLN HE22 H 7.084 1.861 -3.908 . . . 1.0 . . . . . . . . . . . . A . 433 GLN HE22 . . . . . . . . . c16596_2kqe 1 . 2 . 1204 . 1 1 71 GLN HG2 H 7.028 5.018 -5.905 . . . 1.0 . . . . . . . . . . . . A . 433 GLN HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1205 . 1 1 71 GLN HG3 H 5.342 5.235 -5.451 . . . 1.0 . . . . . . . . . . . . A . 433 GLN HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 1206 . 1 1 71 GLN N N 3.377 4.587 -7.021 . . . 1.0 . . . . . . . . . . . . A . 433 GLN N . . . . . . . . . c16596_2kqe 1 . 2 . 1207 . 1 1 71 GLN NE2 N 7.025 2.486 -4.646 . . . 1.0 . . . . . . . . . . . . A . 433 GLN NE2 . . . . . . . . . c16596_2kqe 1 . 2 . 1208 . 1 1 71 GLN O O 4.105 1.394 -5.456 . . . 1.0 . . . . . . . . . . . . A . 433 GLN O . . . . . . . . . c16596_2kqe 1 . 2 . 1209 . 1 1 71 GLN OE1 O 5.761 3.796 -3.449 . . . 1.0 . . . . . . . . . . . . A . 433 GLN OE1 . . . . . . . . . c16596_2kqe 1 . 2 . 1210 . 1 1 72 HIS C C 1.791 1.491 -3.509 . . . 1.0 . . . . . . . . . . . . A . 434 HIS C . . . . . . . . . c16596_2kqe 1 . 2 . 1211 . 1 1 72 HIS CA C 2.938 2.498 -3.294 . . . 1.0 . . . . . . . . . . . . A . 434 HIS CA . . . . . . . . . c16596_2kqe 1 . 2 . 1212 . 1 1 72 HIS CB C 2.550 3.557 -2.240 . . . 1.0 . . . . . . . . . . . . A . 434 HIS CB . . . . . . . . . c16596_2kqe 1 . 2 . 1213 . 1 1 72 HIS CD2 C 0.959 2.734 -0.315 . . . 1.0 . . . . . . . . . . . . A . 434 HIS CD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1214 . 1 1 72 HIS CE1 C 2.391 1.580 0.825 . . . 1.0 . . . . . . . . . . . . A . 434 HIS CE1 . . . . . . . . . c16596_2kqe 1 . 2 . 1215 . 1 1 72 HIS CG C 2.165 2.866 -0.954 . . . 1.0 . . . . . . . . . . . . A . 434 HIS CG . . . . . . . . . c16596_2kqe 1 . 2 . 1216 . 1 1 72 HIS H H 3.035 4.185 -4.667 . . . 1.0 . . . . . . . . . . . . A . 434 HIS H . . . . . . . . . c16596_2kqe 1 . 2 . 1217 . 1 1 72 HIS HA H 3.818 1.970 -2.961 . . . 1.0 . . . . . . . . . . . . A . 434 HIS HA . . . . . . . . . c16596_2kqe 1 . 2 . 1218 . 1 1 72 HIS HB2 H 3.389 4.212 -2.061 . . . 1.0 . . . . . . . . . . . . A . 434 HIS HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1219 . 1 1 72 HIS HB3 H 1.713 4.136 -2.601 . . . 1.0 . . . . . . . . . . . . A . 434 HIS HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1220 . 1 1 72 HIS HD1 H 4.029 2.022 -0.385 . . . 1.0 . . . . . . . . . . . . A . 434 HIS HD1 . . . . . . . . . c16596_2kqe 1 . 2 . 1221 . 1 1 72 HIS HD2 H 0.041 3.212 -0.608 . . . 1.0 . . . . . . . . . . . . A . 434 HIS HD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1222 . 1 1 72 HIS HE1 H 2.829 0.948 1.594 . . . 1.0 . . . . . . . . . . . . A . 434 HIS HE1 . . . . . . . . . c16596_2kqe 1 . 2 . 1223 . 1 1 72 HIS N N 3.249 3.230 -4.576 . . . 1.0 . . . . . . . . . . . . A . 434 HIS N . . . . . . . . . c16596_2kqe 1 . 2 . 1224 . 1 1 72 HIS ND1 N 3.073 2.126 -0.202 . . . 1.0 . . . . . . . . . . . . A . 434 HIS ND1 . . . . . . . . . c16596_2kqe 1 . 2 . 1225 . 1 1 72 HIS NE2 N 1.106 1.923 0.792 . . . 1.0 . . . . . . . . . . . . A . 434 HIS NE2 . . . . . . . . . c16596_2kqe 1 . 2 . 1226 . 1 1 72 HIS O O 1.830 0.399 -2.972 . . . 1.0 . . . . . . . . . . . . A . 434 HIS O . . . . . . . . . c16596_2kqe 1 . 2 . 1227 . 1 1 73 LYS C C 0.170 -0.339 -5.416 . . . 1.0 . . . . . . . . . . . . A . 435 LYS C . . . . . . . . . c16596_2kqe 1 . 2 . 1228 . 1 1 73 LYS CA C -0.329 0.827 -4.530 . . . 1.0 . . . . . . . . . . . . A . 435 LYS CA . . . . . . . . . c16596_2kqe 1 . 2 . 1229 . 1 1 73 LYS CB C -1.468 1.591 -5.230 . . . 1.0 . . . . . . . . . . . . A . 435 LYS CB . . . . . . . . . c16596_2kqe 1 . 2 . 1230 . 1 1 73 LYS CD C -1.948 3.699 -3.962 . . . 1.0 . . . . . . . . . . . . A . 435 LYS CD . . . . . . . . . c16596_2kqe 1 . 2 . 1231 . 1 1 73 LYS CE C -2.422 4.551 -5.141 . . . 1.0 . . . . . . . . . . . . A . 435 LYS CE . . . . . . . . . c16596_2kqe 1 . 2 . 1232 . 1 1 73 LYS CG C -2.370 2.242 -4.177 . . . 1.0 . . . . . . . . . . . . A . 435 LYS CG . . . . . . . . . c16596_2kqe 1 . 2 . 1233 . 1 1 73 LYS H H 0.766 2.695 -4.753 . . . 1.0 . . . . . . . . . . . . A . 435 LYS H . . . . . . . . . c16596_2kqe 1 . 2 . 1234 . 1 1 73 LYS HA H -0.680 0.443 -3.584 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HA . . . . . . . . . c16596_2kqe 1 . 2 . 1235 . 1 1 73 LYS HB2 H -1.052 2.355 -5.872 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1236 . 1 1 73 LYS HB3 H -2.051 0.902 -5.823 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1237 . 1 1 73 LYS HD2 H -2.391 4.069 -3.048 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1238 . 1 1 73 LYS HD3 H -0.873 3.756 -3.887 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HD3 . . . . . . . . . c16596_2kqe 1 . 2 . 1239 . 1 1 73 LYS HE2 H -1.789 5.421 -5.251 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HE2 . . . . . . . . . c16596_2kqe 1 . 2 . 1240 . 1 1 73 LYS HE3 H -2.426 3.969 -6.049 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HE3 . . . . . . . . . c16596_2kqe 1 . 2 . 1241 . 1 1 73 LYS HG2 H -3.396 2.211 -4.514 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1242 . 1 1 73 LYS HG3 H -2.282 1.703 -3.246 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 1243 . 1 1 73 LYS HZ1 H -3.826 5.339 -3.821 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HZ1 . . . . . . . . . c16596_2kqe 1 . 2 . 1244 . 1 1 73 LYS HZ2 H -4.439 4.129 -4.845 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HZ2 . . . . . . . . . c16596_2kqe 1 . 2 . 1245 . 1 1 73 LYS HZ3 H -4.137 5.687 -5.452 . . . 1.0 . . . . . . . . . . . . A . 435 LYS HZ3 . . . . . . . . . c16596_2kqe 1 . 2 . 1246 . 1 1 73 LYS N N 0.786 1.822 -4.296 . . . 1.0 . . . . . . . . . . . . A . 435 LYS N . . . . . . . . . c16596_2kqe 1 . 2 . 1247 . 1 1 73 LYS NZ N -3.810 4.957 -4.788 . . . 1.0 . . . . . . . . . . . . A . 435 LYS NZ . . . . . . . . . c16596_2kqe 1 . 2 . 1248 . 1 1 73 LYS O O -0.394 -1.417 -5.393 . . . 1.0 . . . . . . . . . . . . A . 435 LYS O . . . . . . . . . c16596_2kqe 1 . 2 . 1249 . 1 1 74 ILE C C 2.893 -2.006 -6.201 . . . 1.0 . . . . . . . . . . . . A . 436 ILE C . . . . . . . . . c16596_2kqe 1 . 2 . 1250 . 1 1 74 ILE CA C 1.785 -1.280 -6.995 . . . 1.0 . . . . . . . . . . . . A . 436 ILE CA . . . . . . . . . c16596_2kqe 1 . 2 . 1251 . 1 1 74 ILE CB C 2.262 -0.724 -8.387 . . . 1.0 . . . . . . . . . . . . A . 436 ILE CB . . . . . . . . . c16596_2kqe 1 . 2 . 1252 . 1 1 74 ILE CD1 C 4.745 -1.343 -8.437 . . . 1.0 . . . . . . . . . . . . A . 436 ILE CD1 . . . . . . . . . c16596_2kqe 1 . 2 . 1253 . 1 1 74 ILE CG1 C 3.346 -1.644 -9.017 . . . 1.0 . . . . . . . . . . . . A . 436 ILE CG1 . . . . . . . . . c16596_2kqe 1 . 2 . 1254 . 1 1 74 ILE CG2 C 2.789 0.714 -8.317 . . . 1.0 . . . . . . . . . . . . A . 436 ILE CG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1255 . 1 1 74 ILE H H 1.701 0.713 -6.122 . . . 1.0 . . . . . . . . . . . . A . 436 ILE H . . . . . . . . . c16596_2kqe 1 . 2 . 1256 . 1 1 74 ILE HA H 0.979 -1.983 -7.164 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HA . . . . . . . . . c16596_2kqe 1 . 2 . 1257 . 1 1 74 ILE HB H 1.405 -0.722 -9.042 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HB . . . . . . . . . c16596_2kqe 1 . 2 . 1258 . 1 1 74 ILE HD11 H 5.330 -0.809 -9.172 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HD11 . . . . . . . . . c16596_2kqe 1 . 2 . 1259 . 1 1 74 ILE HD12 H 5.239 -2.269 -8.185 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HD12 . . . . . . . . . c16596_2kqe 1 . 2 . 1260 . 1 1 74 ILE HD13 H 4.646 -0.733 -7.548 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HD13 . . . . . . . . . c16596_2kqe 1 . 2 . 1261 . 1 1 74 ILE HG12 H 3.094 -2.674 -8.815 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HG12 . . . . . . . . . c16596_2kqe 1 . 2 . 1262 . 1 1 74 ILE HG13 H 3.364 -1.486 -10.085 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HG13 . . . . . . . . . c16596_2kqe 1 . 2 . 1263 . 1 1 74 ILE HG21 H 3.443 0.816 -7.464 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HG21 . . . . . . . . . c16596_2kqe 1 . 2 . 1264 . 1 1 74 ILE HG22 H 1.959 1.396 -8.216 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HG22 . . . . . . . . . c16596_2kqe 1 . 2 . 1265 . 1 1 74 ILE HG23 H 3.336 0.943 -9.219 . . . 1.0 . . . . . . . . . . . . A . 436 ILE HG23 . . . . . . . . . c16596_2kqe 1 . 2 . 1266 . 1 1 74 ILE N N 1.247 -0.148 -6.163 . . . 1.0 . . . . . . . . . . . . A . 436 ILE N . . . . . . . . . c16596_2kqe 1 . 2 . 1267 . 1 1 74 ILE O O 2.985 -3.219 -6.253 . . . 1.0 . . . . . . . . . . . . A . 436 ILE O . . . . . . . . . c16596_2kqe 1 . 2 . 1268 . 1 1 75 GLU C C 4.118 -2.884 -3.589 . . . 1.0 . . . . . . . . . . . . A . 437 GLU C . . . . . . . . . c16596_2kqe 1 . 2 . 1269 . 1 1 75 GLU CA C 4.782 -2.001 -4.654 . . . 1.0 . . . . . . . . . . . . A . 437 GLU CA . . . . . . . . . c16596_2kqe 1 . 2 . 1270 . 1 1 75 GLU CB C 5.660 -0.925 -3.984 . . . 1.0 . . . . . . . . . . . . A . 437 GLU CB . . . . . . . . . c16596_2kqe 1 . 2 . 1271 . 1 1 75 GLU CD C 8.143 -0.613 -3.867 . . . 1.0 . . . . . . . . . . . . A . 437 GLU CD . . . . . . . . . c16596_2kqe 1 . 2 . 1272 . 1 1 75 GLU CG C 6.940 -0.722 -4.805 . . . 1.0 . . . . . . . . . . . . A . 437 GLU CG . . . . . . . . . c16596_2kqe 1 . 2 . 1273 . 1 1 75 GLU H H 3.630 -0.316 -5.404 . . . 1.0 . . . . . . . . . . . . A . 437 GLU H . . . . . . . . . c16596_2kqe 1 . 2 . 1274 . 1 1 75 GLU HA H 5.387 -2.612 -5.307 . . . 1.0 . . . . . . . . . . . . A . 437 GLU HA . . . . . . . . . c16596_2kqe 1 . 2 . 1275 . 1 1 75 GLU HB2 H 5.117 0.007 -3.928 . . . 1.0 . . . . . . . . . . . . A . 437 GLU HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1276 . 1 1 75 GLU HB3 H 5.920 -1.247 -2.987 . . . 1.0 . . . . . . . . . . . . A . 437 GLU HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1277 . 1 1 75 GLU HG2 H 7.080 -1.562 -5.471 . . . 1.0 . . . . . . . . . . . . A . 437 GLU HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1278 . 1 1 75 GLU HG3 H 6.855 0.185 -5.384 . . . 1.0 . . . . . . . . . . . . A . 437 GLU HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 1279 . 1 1 75 GLU N N 3.717 -1.293 -5.453 . . . 1.0 . . . . . . . . . . . . A . 437 GLU N . . . . . . . . . c16596_2kqe 1 . 2 . 1280 . 1 1 75 GLU O O 4.512 -4.013 -3.405 . . . 1.0 . . . . . . . . . . . . A . 437 GLU O . . . . . . . . . c16596_2kqe 1 . 2 . 1281 . 1 1 75 GLU OE1 O 8.163 0.306 -3.064 . . . 1.0 . . . . . . . . . . . . A . 437 GLU OE1 . . . . . . . . . c16596_2kqe 1 . 2 . 1282 . 1 1 75 GLU OE2 O 9.025 -1.451 -3.967 . . . 1.0 . . . . . . . . . . . . A . 437 GLU OE2 . . . . . . . . . c16596_2kqe 1 . 2 . 1283 . 1 1 76 TYR C C 0.929 -3.277 -2.151 . . . 1.0 . . . . . . . . . . . . A . 438 TYR C . . . . . . . . . c16596_2kqe 1 . 2 . 1284 . 1 1 76 TYR CA C 2.433 -3.206 -1.843 . . . 1.0 . . . . . . . . . . . . A . 438 TYR CA . . . . . . . . . c16596_2kqe 1 . 2 . 1285 . 1 1 76 TYR CB C 2.668 -2.455 -0.530 . . . 1.0 . . . . . . . . . . . . A . 438 TYR CB . . . . . . . . . c16596_2kqe 1 . 2 . 1286 . 1 1 76 TYR CD1 C 4.721 -3.662 0.355 . . . 1.0 . . . . . . . . . . . . A . 438 TYR CD1 . . . . . . . . . c16596_2kqe 1 . 2 . 1287 . 1 1 76 TYR CD2 C 4.935 -1.322 -0.377 . . . 1.0 . . . . . . . . . . . . A . 438 TYR CD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1288 . 1 1 76 TYR CE1 C 6.102 -3.684 0.689 . . . 1.0 . . . . . . . . . . . . A . 438 TYR CE1 . . . . . . . . . c16596_2kqe 1 . 2 . 1289 . 1 1 76 TYR CE2 C 6.316 -1.344 -0.042 . . . 1.0 . . . . . . . . . . . . A . 438 TYR CE2 . . . . . . . . . c16596_2kqe 1 . 2 . 1290 . 1 1 76 TYR CG C 4.137 -2.481 -0.178 . . . 1.0 . . . . . . . . . . . . A . 438 TYR CG . . . . . . . . . c16596_2kqe 1 . 2 . 1291 . 1 1 76 TYR CZ C 6.900 -2.525 0.490 . . . 1.0 . . . . . . . . . . . . A . 438 TYR CZ . . . . . . . . . c16596_2kqe 1 . 2 . 1292 . 1 1 76 TYR H H 2.814 -1.463 -3.036 . . . 1.0 . . . . . . . . . . . . A . 438 TYR H . . . . . . . . . c16596_2kqe 1 . 2 . 1293 . 1 1 76 TYR HA H 2.861 -4.192 -1.789 . . . 1.0 . . . . . . . . . . . . A . 438 TYR HA . . . . . . . . . c16596_2kqe 1 . 2 . 1294 . 1 1 76 TYR HB2 H 2.345 -1.430 -0.640 . . . 1.0 . . . . . . . . . . . . A . 438 TYR HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1295 . 1 1 76 TYR HB3 H 2.102 -2.926 0.260 . . . 1.0 . . . . . . . . . . . . A . 438 TYR HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1296 . 1 1 76 TYR HD1 H 4.115 -4.544 0.505 . . . 1.0 . . . . . . . . . . . . A . 438 TYR HD1 . . . . . . . . . c16596_2kqe 1 . 2 . 1297 . 1 1 76 TYR HD2 H 4.492 -0.423 -0.781 . . . 1.0 . . . . . . . . . . . . A . 438 TYR HD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1298 . 1 1 76 TYR HE1 H 6.545 -4.582 1.094 . . . 1.0 . . . . . . . . . . . . A . 438 TYR HE1 . . . . . . . . . c16596_2kqe 1 . 2 . 1299 . 1 1 76 TYR HE2 H 6.922 -0.463 -0.193 . . . 1.0 . . . . . . . . . . . . A . 438 TYR HE2 . . . . . . . . . c16596_2kqe 1 . 2 . 1300 . 1 1 76 TYR HH H 8.731 -2.798 0.027 . . . 1.0 . . . . . . . . . . . . A . 438 TYR HH . . . . . . . . . c16596_2kqe 1 . 2 . 1301 . 1 1 76 TYR N N 3.116 -2.383 -2.885 . . . 1.0 . . . . . . . . . . . . A . 438 TYR N . . . . . . . . . c16596_2kqe 1 . 2 . 1302 . 1 1 76 TYR O O 0.413 -2.462 -2.892 . . . 1.0 . . . . . . . . . . . . A . 438 TYR O . . . . . . . . . c16596_2kqe 1 . 2 . 1303 . 1 1 76 TYR OH O 8.240 -2.546 0.814 . . . 1.0 . . . . . . . . . . . . A . 438 TYR OH . . . . . . . . . c16596_2kqe 1 . 2 . 1304 . 1 1 77 ARG C C -1.984 -4.124 -0.451 . . . 1.0 . . . . . . . . . . . . A . 439 ARG C . . . . . . . . . c16596_2kqe 1 . 2 . 1305 . 1 1 77 ARG CA C -1.265 -4.283 -1.800 . . . 1.0 . . . . . . . . . . . . A . 439 ARG CA . . . . . . . . . c16596_2kqe 1 . 2 . 1306 . 1 1 77 ARG CB C -1.534 -5.667 -2.413 . . . 1.0 . . . . . . . . . . . . A . 439 ARG CB . . . . . . . . . c16596_2kqe 1 . 2 . 1307 . 1 1 77 ARG CD C -1.862 -8.077 -1.859 . . . 1.0 . . . . . . . . . . . . A . 439 ARG CD . . . . . . . . . c16596_2kqe 1 . 2 . 1308 . 1 1 77 ARG CG C -1.161 -6.788 -1.431 . . . 1.0 . . . . . . . . . . . . A . 439 ARG CG . . . . . . . . . c16596_2kqe 1 . 2 . 1309 . 1 1 77 ARG CZ C -2.059 -8.982 0.419 . . . 1.0 . . . . . . . . . . . . A . 439 ARG CZ . . . . . . . . . c16596_2kqe 1 . 2 . 1310 . 1 1 77 ARG H H 0.616 -4.840 -0.935 . . . 1.0 . . . . . . . . . . . . A . 439 ARG H . . . . . . . . . c16596_2kqe 1 . 2 . 1311 . 1 1 77 ARG HA H -1.573 -3.506 -2.485 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HA . . . . . . . . . c16596_2kqe 1 . 2 . 1312 . 1 1 77 ARG HB2 H -2.583 -5.748 -2.658 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1313 . 1 1 77 ARG HB3 H -0.952 -5.777 -3.312 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1314 . 1 1 77 ARG HD2 H -2.933 -7.921 -1.915 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1315 . 1 1 77 ARG HD3 H -1.478 -8.415 -2.809 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HD3 . . . . . . . . . c16596_2kqe 1 . 2 . 1316 . 1 1 77 ARG HE H -0.891 -9.788 -0.991 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HE . . . . . . . . . c16596_2kqe 1 . 2 . 1317 . 1 1 77 ARG HG2 H -0.092 -6.937 -1.441 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1318 . 1 1 77 ARG HG3 H -1.482 -6.526 -0.434 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 1319 . 1 1 77 ARG HH11 H -3.211 -7.375 0.036 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HH11 . . . . . . . . . c16596_2kqe 1 . 2 . 1320 . 1 1 77 ARG HH12 H -3.315 -8.003 1.642 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HH12 . . . . . . . . . c16596_2kqe 1 . 2 . 1321 . 1 1 77 ARG HH21 H -1.061 -10.570 1.127 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HH21 . . . . . . . . . c16596_2kqe 1 . 2 . 1322 . 1 1 77 ARG HH22 H -2.118 -9.787 2.254 . . . 1.0 . . . . . . . . . . . . A . 439 ARG HH22 . . . . . . . . . c16596_2kqe 1 . 2 . 1323 . 1 1 77 ARG N N 0.209 -4.211 -1.563 . . . 1.0 . . . . . . . . . . . . A . 439 ARG N . . . . . . . . . c16596_2kqe 1 . 2 . 1324 . 1 1 77 ARG NE N -1.528 -9.068 -0.791 . . . 1.0 . . . . . . . . . . . . A . 439 ARG NE . . . . . . . . . c16596_2kqe 1 . 2 . 1325 . 1 1 77 ARG NH1 N -2.931 -8.045 0.720 . . . 1.0 . . . . . . . . . . . . A . 439 ARG NH1 . . . . . . . . . c16596_2kqe 1 . 2 . 1326 . 1 1 77 ARG NH2 N -1.719 -9.848 1.339 . . . 1.0 . . . . . . . . . . . . A . 439 ARG NH2 . . . . . . . . . c16596_2kqe 1 . 2 . 1327 . 1 1 77 ARG O O -1.417 -4.434 0.580 . . . 1.0 . . . . . . . . . . . . A . 439 ARG O . . . . . . . . . c16596_2kqe 1 . 2 . 1328 . 1 1 78 HIS C C -5.025 -4.488 1.105 . . . 1.0 . . . . . . . . . . . . A . 440 HIS C . . . . . . . . . c16596_2kqe 1 . 2 . 1329 . 1 1 78 HIS CA C -3.903 -3.453 0.884 . . . 1.0 . . . . . . . . . . . . A . 440 HIS CA . . . . . . . . . c16596_2kqe 1 . 2 . 1330 . 1 1 78 HIS CB C -4.469 -2.027 0.854 . . . 1.0 . . . . . . . . . . . . A . 440 HIS CB . . . . . . . . . c16596_2kqe 1 . 2 . 1331 . 1 1 78 HIS CD2 C -2.574 -0.362 1.613 . . . 1.0 . . . . . . . . . . . . A . 440 HIS CD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1332 . 1 1 78 HIS CE1 C -1.737 0.058 -0.342 . . . 1.0 . . . . . . . . . . . . A . 440 HIS CE1 . . . . . . . . . c16596_2kqe 1 . 2 . 1333 . 1 1 78 HIS CG C -3.329 -1.059 0.698 . . . 1.0 . . . . . . . . . . . . A . 440 HIS CG . . . . . . . . . c16596_2kqe 1 . 2 . 1334 . 1 1 78 HIS H H -3.650 -3.361 -1.266 . . . 1.0 . . . . . . . . . . . . A . 440 HIS H . . . . . . . . . c16596_2kqe 1 . 2 . 1335 . 1 1 78 HIS HA H -3.185 -3.530 1.684 . . . 1.0 . . . . . . . . . . . . A . 440 HIS HA . . . . . . . . . c16596_2kqe 1 . 2 . 1336 . 1 1 78 HIS HB2 H -5.149 -1.925 0.021 . . . 1.0 . . . . . . . . . . . . A . 440 HIS HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1337 . 1 1 78 HIS HB3 H -4.992 -1.824 1.776 . . . 1.0 . . . . . . . . . . . . A . 440 HIS HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1338 . 1 1 78 HIS HD1 H -3.096 -1.097 -1.408 . . . 1.0 . . . . . . . . . . . . A . 440 HIS HD1 . . . . . . . . . c16596_2kqe 1 . 2 . 1339 . 1 1 78 HIS HD2 H -2.729 -0.353 2.684 . . . 1.0 . . . . . . . . . . . . A . 440 HIS HD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1340 . 1 1 78 HIS HE1 H -1.094 0.427 -1.128 . . . 1.0 . . . . . . . . . . . . A . 440 HIS HE1 . . . . . . . . . c16596_2kqe 1 . 2 . 1341 . 1 1 78 HIS N N -3.203 -3.633 -0.433 . . . 1.0 . . . . . . . . . . . . A . 440 HIS N . . . . . . . . . c16596_2kqe 1 . 2 . 1342 . 1 1 78 HIS ND1 N -2.779 -0.766 -0.543 . . . 1.0 . . . . . . . . . . . . A . 440 HIS ND1 . . . . . . . . . c16596_2kqe 1 . 2 . 1343 . 1 1 78 HIS NE2 N -1.574 0.335 0.954 . . . 1.0 . . . . . . . . . . . . A . 440 HIS NE2 . . . . . . . . . c16596_2kqe 1 . 2 . 1344 . 1 1 78 HIS O O -5.469 -4.666 2.226 . . . 1.0 . . . . . . . . . . . . A . 440 HIS O . . . . . . . . . c16596_2kqe 1 . 2 . 1345 . 1 1 79 ASN C C -6.293 -7.457 -0.484 . . . 1.0 . . . . . . . . . . . . A . 441 ASN C . . . . . . . . . c16596_2kqe 1 . 2 . 1346 . 1 1 79 ASN CA C -6.589 -6.162 0.293 . . . 1.0 . . . . . . . . . . . . A . 441 ASN CA . . . . . . . . . c16596_2kqe 1 . 2 . 1347 . 1 1 79 ASN CB C -7.856 -5.479 -0.233 . . . 1.0 . . . . . . . . . . . . A . 441 ASN CB . . . . . . . . . c16596_2kqe 1 . 2 . 1348 . 1 1 79 ASN CG C -7.697 -5.170 -1.730 . . . 1.0 . . . . . . . . . . . . A . 441 ASN CG . . . . . . . . . c16596_2kqe 1 . 2 . 1349 . 1 1 79 ASN H H -5.164 -5.037 -0.825 . . . 1.0 . . . . . . . . . . . . A . 441 ASN H . . . . . . . . . c16596_2kqe 1 . 2 . 1350 . 1 1 79 ASN HA H -6.698 -6.374 1.345 . . . 1.0 . . . . . . . . . . . . A . 441 ASN HA . . . . . . . . . c16596_2kqe 1 . 2 . 1351 . 1 1 79 ASN HB2 H -8.702 -6.135 -0.089 . . . 1.0 . . . . . . . . . . . . A . 441 ASN HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1352 . 1 1 79 ASN HB3 H -8.018 -4.558 0.306 . . . 1.0 . . . . . . . . . . . . A . 441 ASN HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1353 . 1 1 79 ASN HD21 H -6.744 -3.440 -1.447 . . . 1.0 . . . . . . . . . . . . A . 441 ASN HD21 . . . . . . . . . c16596_2kqe 1 . 2 . 1354 . 1 1 79 ASN HD22 H -6.979 -3.887 -3.065 . . . 1.0 . . . . . . . . . . . . A . 441 ASN HD22 . . . . . . . . . c16596_2kqe 1 . 2 . 1355 . 1 1 79 ASN N N -5.501 -5.170 0.078 . . . 1.0 . . . . . . . . . . . . A . 441 ASN N . . . . . . . . . c16596_2kqe 1 . 2 . 1356 . 1 1 79 ASN ND2 N -7.093 -4.073 -2.111 . . . 1.0 . . . . . . . . . . . . A . 441 ASN ND2 . . . . . . . . . c16596_2kqe 1 . 2 . 1357 . 1 1 79 ASN O O -5.966 -7.425 -1.655 . . . 1.0 . . . . . . . . . . . . A . 441 ASN O . . . . . . . . . c16596_2kqe 1 . 2 . 1358 . 1 1 79 ASN OD1 O -8.130 -5.941 -2.565 . . . 1.0 . . . . . . . . . . . . A . 441 ASN OD1 . . . . . . . . . c16596_2kqe 1 . 2 . 1359 . 1 1 80 THR C C -7.480 -10.598 -0.776 . . . 1.0 . . . . . . . . . . . . A . 442 THR C . . . . . . . . . c16596_2kqe 1 . 2 . 1360 . 1 1 80 THR CA C -6.148 -9.892 -0.518 . . . 1.0 . . . . . . . . . . . . A . 442 THR CA . . . . . . . . . c16596_2kqe 1 . 2 . 1361 . 1 1 80 THR CB C -5.272 -10.705 0.444 . . . 1.0 . . . . . . . . . . . . A . 442 THR CB . . . . . . . . . c16596_2kqe 1 . 2 . 1362 . 1 1 80 THR CG2 C -4.257 -11.516 -0.361 . . . 1.0 . . . . . . . . . . . . A . 442 THR CG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1363 . 1 1 80 THR H H -6.674 -8.589 1.094 . . . 1.0 . . . . . . . . . . . . A . 442 THR H . . . . . . . . . c16596_2kqe 1 . 2 . 1364 . 1 1 80 THR HA H -5.626 -9.726 -1.444 . . . 1.0 . . . . . . . . . . . . A . 442 THR HA . . . . . . . . . c16596_2kqe 1 . 2 . 1365 . 1 1 80 THR HB H -5.894 -11.381 1.014 . . . 1.0 . . . . . . . . . . . . A . 442 THR HB . . . . . . . . . c16596_2kqe 1 . 2 . 1366 . 1 1 80 THR HG1 H -5.005 -9.863 2.189 . . . 1.0 . . . . . . . . . . . . A . 442 THR HG1 . . . . . . . . . c16596_2kqe 1 . 2 . 1367 . 1 1 80 THR HG21 H -3.795 -12.253 0.280 . . . 1.0 . . . . . . . . . . . . A . 442 THR HG21 . . . . . . . . . c16596_2kqe 1 . 2 . 1368 . 1 1 80 THR HG22 H -3.500 -10.854 -0.754 . . . 1.0 . . . . . . . . . . . . A . 442 THR HG22 . . . . . . . . . c16596_2kqe 1 . 2 . 1369 . 1 1 80 THR HG23 H -4.761 -12.013 -1.177 . . . 1.0 . . . . . . . . . . . . A . 442 THR HG23 . . . . . . . . . c16596_2kqe 1 . 2 . 1370 . 1 1 80 THR N N -6.411 -8.592 0.164 . . . 1.0 . . . . . . . . . . . . A . 442 THR N . . . . . . . . . c16596_2kqe 1 . 2 . 1371 . 1 1 80 THR O O -7.757 -11.648 -0.223 . . . 1.0 . . . . . . . . . . . . A . 442 THR O . . . . . . . . . c16596_2kqe 1 . 2 . 1372 . 1 1 80 THR OG1 O -4.584 -9.820 1.325 . . . 1.0 . . . . . . . . . . . . A . 442 THR OG1 . . . . . . . . . c16596_2kqe 1 . 2 . 1373 . 1 1 81 LEU C C -9.640 -11.162 -3.399 . . . 1.0 . . . . . . . . . . . . A . 443 LEU C . . . . . . . . . c16596_2kqe 1 . 2 . 1374 . 1 1 81 LEU CA C -9.621 -10.668 -1.941 . . . 1.0 . . . . . . . . . . . . A . 443 LEU CA . . . . . . . . . c16596_2kqe 1 . 2 . 1375 . 1 1 81 LEU CB C -10.661 -9.565 -1.739 . . . 1.0 . . . . . . . . . . . . A . 443 LEU CB . . . . . . . . . c16596_2kqe 1 . 2 . 1376 . 1 1 81 LEU CD1 C -10.116 -9.149 0.661 . . . 1.0 . . . . . . . . . . . . A . 443 LEU CD1 . . . . . . . . . c16596_2kqe 1 . 2 . 1377 . 1 1 81 LEU CD2 C -12.422 -8.711 -0.198 . . . 1.0 . . . . . . . . . . . . A . 443 LEU CD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1378 . 1 1 81 LEU CG C -11.198 -9.623 -0.312 . . . 1.0 . . . . . . . . . . . . A . 443 LEU CG . . . . . . . . . c16596_2kqe 1 . 2 . 1379 . 1 1 81 LEU H H -8.050 -9.193 -2.069 . . . 1.0 . . . . . . . . . . . . A . 443 LEU H . . . . . . . . . c16596_2kqe 1 . 2 . 1380 . 1 1 81 LEU HA H -9.816 -11.485 -1.266 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HA . . . . . . . . . c16596_2kqe 1 . 2 . 1381 . 1 1 81 LEU HB2 H -10.203 -8.602 -1.913 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1382 . 1 1 81 LEU HB3 H -11.475 -9.707 -2.434 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1383 . 1 1 81 LEU HD11 H -9.456 -9.971 0.894 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HD11 . . . . . . . . . c16596_2kqe 1 . 2 . 1384 . 1 1 81 LEU HD12 H -10.581 -8.791 1.568 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HD12 . . . . . . . . . c16596_2kqe 1 . 2 . 1385 . 1 1 81 LEU HD13 H -9.550 -8.349 0.207 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HD13 . . . . . . . . . c16596_2kqe 1 . 2 . 1386 . 1 1 81 LEU HD21 H -13.313 -9.273 -0.435 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HD21 . . . . . . . . . c16596_2kqe 1 . 2 . 1387 . 1 1 81 LEU HD22 H -12.321 -7.888 -0.888 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HD22 . . . . . . . . . c16596_2kqe 1 . 2 . 1388 . 1 1 81 LEU HD23 H -12.494 -8.330 0.810 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HD23 . . . . . . . . . c16596_2kqe 1 . 2 . 1389 . 1 1 81 LEU HG H -11.479 -10.639 -0.074 . . . 1.0 . . . . . . . . . . . . A . 443 LEU HG . . . . . . . . . c16596_2kqe 1 . 2 . 1390 . 1 1 81 LEU N N -8.306 -10.032 -1.625 . . . 1.0 . . . . . . . . . . . . A . 443 LEU N . . . . . . . . . c16596_2kqe 1 . 2 . 1391 . 1 1 81 LEU O O -8.866 -10.697 -4.213 . . . 1.0 . . . . . . . . . . . . A . 443 LEU O . . . . . . . . . c16596_2kqe 1 . 2 . 1392 . 1 1 82 PRO C C -11.274 -11.622 -6.015 . . . 1.0 . . . . . . . . . . . . A . 444 PRO C . . . . . . . . . c16596_2kqe 1 . 2 . 1393 . 1 1 82 PRO CA C -10.628 -12.640 -5.065 . . . 1.0 . . . . . . . . . . . . A . 444 PRO CA . . . . . . . . . c16596_2kqe 1 . 2 . 1394 . 1 1 82 PRO CB C -11.523 -13.866 -4.902 . . . 1.0 . . . . . . . . . . . . A . 444 PRO CB . . . . . . . . . c16596_2kqe 1 . 2 . 1395 . 1 1 82 PRO CD C -11.500 -12.721 -2.776 . . . 1.0 . . . . . . . . . . . . A . 444 PRO CD . . . . . . . . . c16596_2kqe 1 . 2 . 1396 . 1 1 82 PRO CG C -12.334 -13.596 -3.674 . . . 1.0 . . . . . . . . . . . . A . 444 PRO CG . . . . . . . . . c16596_2kqe 1 . 2 . 1397 . 1 1 82 PRO HA H -9.664 -12.937 -5.433 . . . 1.0 . . . . . . . . . . . . A . 444 PRO HA . . . . . . . . . c16596_2kqe 1 . 2 . 1398 . 1 1 82 PRO HB2 H -12.167 -13.977 -5.764 . . . 1.0 . . . . . . . . . . . . A . 444 PRO HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1399 . 1 1 82 PRO HB3 H -10.924 -14.752 -4.761 . . . 1.0 . . . . . . . . . . . . A . 444 PRO HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1400 . 1 1 82 PRO HD2 H -12.116 -11.972 -2.301 . . . 1.0 . . . . . . . . . . . . A . 444 PRO HD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1401 . 1 1 82 PRO HD3 H -10.986 -13.316 -2.038 . . . 1.0 . . . . . . . . . . . . A . 444 PRO HD3 . . . . . . . . . c16596_2kqe 1 . 2 . 1402 . 1 1 82 PRO HG2 H -13.249 -13.087 -3.942 . . . 1.0 . . . . . . . . . . . . A . 444 PRO HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1403 . 1 1 82 PRO HG3 H -12.560 -14.522 -3.171 . . . 1.0 . . . . . . . . . . . . A . 444 PRO HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 1404 . 1 1 82 PRO N N -10.526 -12.093 -3.686 . . . 1.0 . . . . . . . . . . . . A . 444 PRO N . . . . . . . . . c16596_2kqe 1 . 2 . 1405 . 1 1 82 PRO O O -11.598 -10.517 -5.620 . . . 1.0 . . . . . . . . . . . . A . 444 PRO O . . . . . . . . . c16596_2kqe 1 . 2 . 1406 . 1 1 83 VAL C C -13.259 -11.747 -8.949 . . . 1.0 . . . . . . . . . . . . A . 445 VAL C . . . . . . . . . c16596_2kqe 1 . 2 . 1407 . 1 1 83 VAL CA C -12.098 -11.041 -8.236 . . . 1.0 . . . . . . . . . . . . A . 445 VAL CA . . . . . . . . . c16596_2kqe 1 . 2 . 1408 . 1 1 83 VAL CB C -10.995 -10.673 -9.235 . . . 1.0 . . . . . . . . . . . . A . 445 VAL CB . . . . . . . . . c16596_2kqe 1 . 2 . 1409 . 1 1 83 VAL CG1 C -11.537 -9.660 -10.255 . . . 1.0 . . . . . . . . . . . . A . 445 VAL CG1 . . . . . . . . . c16596_2kqe 1 . 2 . 1410 . 1 1 83 VAL CG2 C -9.805 -10.059 -8.488 . . . 1.0 . . . . . . . . . . . . A . 445 VAL CG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1411 . 1 1 83 VAL H H -11.207 -12.885 -7.568 . . . 1.0 . . . . . . . . . . . . A . 445 VAL H . . . . . . . . . c16596_2kqe 1 . 2 . 1412 . 1 1 83 VAL HA H -12.449 -10.161 -7.724 . . . 1.0 . . . . . . . . . . . . A . 445 VAL HA . . . . . . . . . c16596_2kqe 1 . 2 . 1413 . 1 1 83 VAL HB H -10.672 -11.564 -9.755 . . . 1.0 . . . . . . . . . . . . A . 445 VAL HB . . . . . . . . . c16596_2kqe 1 . 2 . 1414 . 1 1 83 VAL HG11 H -11.234 -9.956 -11.249 . . . 1.0 . . . . . . . . . . . . A . 445 VAL HG11 . . . . . . . . . c16596_2kqe 1 . 2 . 1415 . 1 1 83 VAL HG12 H -11.142 -8.678 -10.038 . . . 1.0 . . . . . . . . . . . . A . 445 VAL HG12 . . . . . . . . . c16596_2kqe 1 . 2 . 1416 . 1 1 83 VAL HG13 H -12.614 -9.631 -10.203 . . . 1.0 . . . . . . . . . . . . A . 445 VAL HG13 . . . . . . . . . c16596_2kqe 1 . 2 . 1417 . 1 1 83 VAL HG21 H -9.451 -10.753 -7.742 . . . 1.0 . . . . . . . . . . . . A . 445 VAL HG21 . . . . . . . . . c16596_2kqe 1 . 2 . 1418 . 1 1 83 VAL HG22 H -10.116 -9.142 -8.010 . . . 1.0 . . . . . . . . . . . . A . 445 VAL HG22 . . . . . . . . . c16596_2kqe 1 . 2 . 1419 . 1 1 83 VAL HG23 H -9.011 -9.847 -9.189 . . . 1.0 . . . . . . . . . . . . A . 445 VAL HG23 . . . . . . . . . c16596_2kqe 1 . 2 . 1420 . 1 1 83 VAL N N -11.469 -11.986 -7.267 . . . 1.0 . . . . . . . . . . . . A . 445 VAL N . . . . . . . . . c16596_2kqe 1 . 2 . 1421 . 1 1 83 VAL O O -13.353 -11.732 -10.160 . . . 1.0 . . . . . . . . . . . . A . 445 VAL O . . . . . . . . . c16596_2kqe 1 . 2 . 1422 . 1 1 84 ARG C C -16.195 -13.763 -7.748 . . . 1.0 . . . . . . . . . . . . A . 446 ARG C . . . . . . . . . c16596_2kqe 1 . 2 . 1423 . 1 1 84 ARG CA C -15.322 -13.083 -8.823 . . . 1.0 . . . . . . . . . . . . A . 446 ARG CA . . . . . . . . . c16596_2kqe 1 . 2 . 1424 . 1 1 84 ARG CB C -14.753 -14.142 -9.794 . . . 1.0 . . . . . . . . . . . . A . 446 ARG CB . . . . . . . . . c16596_2kqe 1 . 2 . 1425 . 1 1 84 ARG CD C -12.894 -15.790 -10.164 . . . 1.0 . . . . . . . . . . . . A . 446 ARG CD . . . . . . . . . c16596_2kqe 1 . 2 . 1426 . 1 1 84 ARG CG C -13.675 -14.993 -9.108 . . . 1.0 . . . . . . . . . . . . A . 446 ARG CG . . . . . . . . . c16596_2kqe 1 . 2 . 1427 . 1 1 84 ARG CZ C -12.784 -17.864 -8.848 . . . 1.0 . . . . . . . . . . . . A . 446 ARG CZ . . . . . . . . . c16596_2kqe 1 . 2 . 1428 . 1 1 84 ARG H H -14.051 -12.349 -7.220 . . . 1.0 . . . . . . . . . . . . A . 446 ARG H . . . . . . . . . c16596_2kqe 1 . 2 . 1429 . 1 1 84 ARG HA H -15.922 -12.377 -9.377 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HA . . . . . . . . . c16596_2kqe 1 . 2 . 1430 . 1 1 84 ARG HB2 H -15.555 -14.787 -10.121 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1431 . 1 1 84 ARG HB3 H -14.325 -13.649 -10.652 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1432 . 1 1 84 ARG HD2 H -13.198 -15.497 -11.161 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1433 . 1 1 84 ARG HD3 H -11.833 -15.641 -10.037 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HD3 . . . . . . . . . c16596_2kqe 1 . 2 . 1434 . 1 1 84 ARG HE H -13.824 -17.691 -10.549 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HE . . . . . . . . . c16596_2kqe 1 . 2 . 1435 . 1 1 84 ARG HG2 H -12.995 -14.351 -8.570 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1436 . 1 1 84 ARG HG3 H -14.144 -15.679 -8.419 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 1437 . 1 1 84 ARG HH11 H -11.740 -16.316 -8.095 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HH11 . . . . . . . . . c16596_2kqe 1 . 2 . 1438 . 1 1 84 ARG HH12 H -11.674 -17.780 -7.179 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HH12 . . . . . . . . . c16596_2kqe 1 . 2 . 1439 . 1 1 84 ARG HH21 H -13.703 -19.584 -9.317 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HH21 . . . . . . . . . c16596_2kqe 1 . 2 . 1440 . 1 1 84 ARG HH22 H -12.768 -19.607 -7.858 . . . 1.0 . . . . . . . . . . . . A . 446 ARG HH22 . . . . . . . . . c16596_2kqe 1 . 2 . 1441 . 1 1 84 ARG N N -14.149 -12.366 -8.199 . . . 1.0 . . . . . . . . . . . . A . 446 ARG N . . . . . . . . . c16596_2kqe 1 . 2 . 1442 . 1 1 84 ARG NE N -13.243 -17.222 -9.911 . . . 1.0 . . . . . . . . . . . . A . 446 ARG NE . . . . . . . . . c16596_2kqe 1 . 2 . 1443 . 1 1 84 ARG NH1 N -12.005 -17.271 -7.973 . . . 1.0 . . . . . . . . . . . . A . 446 ARG NH1 . . . . . . . . . c16596_2kqe 1 . 2 . 1444 . 1 1 84 ARG NH2 N -13.111 -19.117 -8.660 . . . 1.0 . . . . . . . . . . . . A . 446 ARG NH2 . . . . . . . . . c16596_2kqe 1 . 2 . 1445 . 1 1 84 ARG O O -17.408 -13.699 -7.814 . . . 1.0 . . . . . . . . . . . . A . 446 ARG O . . . . . . . . . c16596_2kqe 1 . 2 . 1446 . 1 1 85 ASN C C -16.519 -14.163 -4.462 . . . 1.0 . . . . . . . . . . . . A . 447 ASN C . . . . . . . . . c16596_2kqe 1 . 2 . 1447 . 1 1 85 ASN CA C -16.435 -15.067 -5.700 . . . 1.0 . . . . . . . . . . . . A . 447 ASN CA . . . . . . . . . c16596_2kqe 1 . 2 . 1448 . 1 1 85 ASN CB C -15.724 -16.384 -5.360 . . . 1.0 . . . . . . . . . . . . A . 447 ASN CB . . . . . . . . . c16596_2kqe 1 . 2 . 1449 . 1 1 85 ASN CG C -16.257 -17.502 -6.264 . . . 1.0 . . . . . . . . . . . . A . 447 ASN CG . . . . . . . . . c16596_2kqe 1 . 2 . 1450 . 1 1 85 ASN H H -14.618 -14.451 -6.704 . . . 1.0 . . . . . . . . . . . . A . 447 ASN H . . . . . . . . . c16596_2kqe 1 . 2 . 1451 . 1 1 85 ASN HA H -17.424 -15.272 -6.081 . . . 1.0 . . . . . . . . . . . . A . 447 ASN HA . . . . . . . . . c16596_2kqe 1 . 2 . 1452 . 1 1 85 ASN HB2 H -14.661 -16.269 -5.515 . . . 1.0 . . . . . . . . . . . . A . 447 ASN HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1453 . 1 1 85 ASN HB3 H -15.913 -16.638 -4.327 . . . 1.0 . . . . . . . . . . . . A . 447 ASN HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1454 . 1 1 85 ASN HD21 H -18.161 -17.281 -5.703 . . . 1.0 . . . . . . . . . . . . A . 447 ASN HD21 . . . . . . . . . c16596_2kqe 1 . 2 . 1455 . 1 1 85 ASN HD22 H -17.876 -18.497 -6.853 . . . 1.0 . . . . . . . . . . . . A . 447 ASN HD22 . . . . . . . . . c16596_2kqe 1 . 2 . 1456 . 1 1 85 ASN N N -15.601 -14.408 -6.758 . . . 1.0 . . . . . . . . . . . . A . 447 ASN N . . . . . . . . . c16596_2kqe 1 . 2 . 1457 . 1 1 85 ASN ND2 N -17.538 -17.782 -6.273 . . . 1.0 . . . . . . . . . . . . A . 447 ASN ND2 . . . . . . . . . c16596_2kqe 1 . 2 . 1458 . 1 1 85 ASN O O -15.721 -14.277 -3.551 . . . 1.0 . . . . . . . . . . . . A . 447 ASN O . . . . . . . . . c16596_2kqe 1 . 2 . 1459 . 1 1 85 ASN OD1 O -15.498 -18.132 -6.975 . . . 1.0 . . . . . . . . . . . . A . 447 ASN OD1 . . . . . . . . . c16596_2kqe 1 . 2 . 1460 . 1 1 86 VAL C C -19.082 -12.310 -2.768 . . . 1.0 . . . . . . . . . . . . A . 448 VAL C . . . . . . . . . c16596_2kqe 1 . 2 . 1461 . 1 1 86 VAL CA C -17.613 -12.360 -3.230 . . . 1.0 . . . . . . . . . . . . A . 448 VAL CA . . . . . . . . . c16596_2kqe 1 . 2 . 1462 . 1 1 86 VAL CB C -17.150 -10.982 -3.720 . . . 1.0 . . . . . . . . . . . . A . 448 VAL CB . . . . . . . . . c16596_2kqe 1 . 2 . 1463 . 1 1 86 VAL CG1 C -17.186 -9.985 -2.559 . . . 1.0 . . . . . . . . . . . . A . 448 VAL CG1 . . . . . . . . . c16596_2kqe 1 . 2 . 1464 . 1 1 86 VAL CG2 C -15.716 -11.075 -4.254 . . . 1.0 . . . . . . . . . . . . A . 448 VAL CG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1465 . 1 1 86 VAL H H -18.127 -13.187 -5.159 . . . 1.0 . . . . . . . . . . . . A . 448 VAL H . . . . . . . . . c16596_2kqe 1 . 2 . 1466 . 1 1 86 VAL HA H -16.977 -12.700 -2.428 . . . 1.0 . . . . . . . . . . . . A . 448 VAL HA . . . . . . . . . c16596_2kqe 1 . 2 . 1467 . 1 1 86 VAL HB H -17.808 -10.640 -4.506 . . . 1.0 . . . . . . . . . . . . A . 448 VAL HB . . . . . . . . . c16596_2kqe 1 . 2 . 1468 . 1 1 86 VAL HG11 H -16.981 -10.503 -1.634 . . . 1.0 . . . . . . . . . . . . A . 448 VAL HG11 . . . . . . . . . c16596_2kqe 1 . 2 . 1469 . 1 1 86 VAL HG12 H -18.162 -9.527 -2.508 . . . 1.0 . . . . . . . . . . . . A . 448 VAL HG12 . . . . . . . . . c16596_2kqe 1 . 2 . 1470 . 1 1 86 VAL HG13 H -16.438 -9.221 -2.717 . . . 1.0 . . . . . . . . . . . . A . 448 VAL HG13 . . . . . . . . . c16596_2kqe 1 . 2 . 1471 . 1 1 86 VAL HG21 H -15.047 -11.333 -3.446 . . . 1.0 . . . . . . . . . . . . A . 448 VAL HG21 . . . . . . . . . c16596_2kqe 1 . 2 . 1472 . 1 1 86 VAL HG22 H -15.426 -10.124 -4.673 . . . 1.0 . . . . . . . . . . . . A . 448 VAL HG22 . . . . . . . . . c16596_2kqe 1 . 2 . 1473 . 1 1 86 VAL HG23 H -15.667 -11.836 -5.019 . . . 1.0 . . . . . . . . . . . . A . 448 VAL HG23 . . . . . . . . . c16596_2kqe 1 . 2 . 1474 . 1 1 86 VAL N N -17.484 -13.265 -4.417 . . . 1.0 . . . . . . . . . . . . A . 448 VAL N . . . . . . . . . c16596_2kqe 1 . 2 . 1475 . 1 1 86 VAL O O -19.571 -11.280 -2.345 . . . 1.0 . . . . . . . . . . . . A . 448 VAL O . . . . . . . . . c16596_2kqe 1 . 2 . 1476 . 1 1 87 LEU C C -21.816 -14.852 -2.528 . . . 1.0 . . . . . . . . . . . . A . 449 LEU C . . . . . . . . . c16596_2kqe 1 . 2 . 1477 . 1 1 87 LEU CA C -21.238 -13.434 -2.407 . . . 1.0 . . . . . . . . . . . . A . 449 LEU CA . . . . . . . . . c16596_2kqe 1 . 2 . 1478 . 1 1 87 LEU CB C -21.975 -12.480 -3.359 . . . 1.0 . . . . . . . . . . . . A . 449 LEU CB . . . . . . . . . c16596_2kqe 1 . 2 . 1479 . 1 1 87 LEU CD1 C -22.242 -10.348 -2.083 . . . 1.0 . . . . . . . . . . . . A . 449 LEU CD1 . . . . . . . . . c16596_2kqe 1 . 2 . 1480 . 1 1 87 LEU CD2 C -24.133 -11.227 -3.459 . . . 1.0 . . . . . . . . . . . . A . 449 LEU CD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1481 . 1 1 87 LEU CG C -22.954 -11.615 -2.565 . . . 1.0 . . . . . . . . . . . . A . 449 LEU CG . . . . . . . . . c16596_2kqe 1 . 2 . 1482 . 1 1 87 LEU H H -19.385 -14.247 -3.184 . . . 1.0 . . . . . . . . . . . . A . 449 LEU H . . . . . . . . . c16596_2kqe 1 . 2 . 1483 . 1 1 87 LEU HA H -21.323 -13.089 -1.402 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HA . . . . . . . . . c16596_2kqe 1 . 2 . 1484 . 1 1 87 LEU HB2 H -21.259 -11.845 -3.861 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1485 . 1 1 87 LEU HB3 H -22.520 -13.053 -4.095 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1486 . 1 1 87 LEU HD11 H -21.782 -9.853 -2.925 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HD11 . . . . . . . . . c16596_2kqe 1 . 2 . 1487 . 1 1 87 LEU HD12 H -21.484 -10.613 -1.362 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HD12 . . . . . . . . . c16596_2kqe 1 . 2 . 1488 . 1 1 87 LEU HD13 H -22.961 -9.685 -1.623 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HD13 . . . . . . . . . c16596_2kqe 1 . 2 . 1489 . 1 1 87 LEU HD21 H -23.908 -10.302 -3.970 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HD21 . . . . . . . . . c16596_2kqe 1 . 2 . 1490 . 1 1 87 LEU HD22 H -25.018 -11.098 -2.854 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HD22 . . . . . . . . . c16596_2kqe 1 . 2 . 1491 . 1 1 87 LEU HD23 H -24.305 -12.006 -4.186 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HD23 . . . . . . . . . c16596_2kqe 1 . 2 . 1492 . 1 1 87 LEU HG H -23.314 -12.170 -1.711 . . . 1.0 . . . . . . . . . . . . A . 449 LEU HG . . . . . . . . . c16596_2kqe 1 . 2 . 1493 . 1 1 87 LEU N N -19.797 -13.420 -2.844 . . . 1.0 . . . . . . . . . . . . A . 449 LEU N . . . . . . . . . c16596_2kqe 1 . 2 . 1494 . 1 1 87 LEU O O -22.378 -15.389 -1.593 . . . 1.0 . . . . . . . . . . . . A . 449 LEU O . . . . . . . . . c16596_2kqe 1 . 2 . 1495 . 1 1 88 ASP C C -23.679 -16.942 -3.511 . . . 1.0 . . . . . . . . . . . . A . 450 ASP C . . . . . . . . . c16596_2kqe 1 . 2 . 1496 . 1 1 88 ASP CA C -22.192 -16.845 -3.899 . . . 1.0 . . . . . . . . . . . . A . 450 ASP CA . . . . . . . . . c16596_2kqe 1 . 2 . 1497 . 1 1 88 ASP CB C -21.342 -17.745 -2.997 . . . 1.0 . . . . . . . . . . . . A . 450 ASP CB . . . . . . . . . c16596_2kqe 1 . 2 . 1498 . 1 1 88 ASP CG C -21.181 -19.118 -3.652 . . . 1.0 . . . . . . . . . . . . A . 450 ASP CG . . . . . . . . . c16596_2kqe 1 . 2 . 1499 . 1 1 88 ASP H H -21.210 -15.000 -4.414 . . . 1.0 . . . . . . . . . . . . A . 450 ASP H . . . . . . . . . c16596_2kqe 1 . 2 . 1500 . 1 1 88 ASP HA H -22.054 -17.130 -4.930 . . . 1.0 . . . . . . . . . . . . A . 450 ASP HA . . . . . . . . . c16596_2kqe 1 . 2 . 1501 . 1 1 88 ASP HB2 H -20.370 -17.296 -2.856 . . . 1.0 . . . . . . . . . . . . A . 450 ASP HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1502 . 1 1 88 ASP HB3 H -21.829 -17.860 -2.041 . . . 1.0 . . . . . . . . . . . . A . 450 ASP HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1503 . 1 1 88 ASP N N -21.670 -15.458 -3.682 . . . 1.0 . . . . . . . . . . . . A . 450 ASP N . . . . . . . . . c16596_2kqe 1 . 2 . 1504 . 1 1 88 ASP O O -24.110 -17.933 -2.954 . . . 1.0 . . . . . . . . . . . . A . 450 ASP O . . . . . . . . . c16596_2kqe 1 . 2 . 1505 . 1 1 88 ASP OD1 O -20.489 -19.197 -4.654 . . . 1.0 . . . . . . . . . . . . A . 450 ASP OD1 . . . . . . . . . c16596_2kqe 1 . 2 . 1506 . 1 1 88 ASP OD2 O -21.752 -20.068 -3.141 . . . 1.0 . . . . . . . . . . . . A . 450 ASP OD2 . . . . . . . . . c16596_2kqe 1 . 2 . 1507 . 1 1 89 GLU C C -26.756 -15.261 -4.505 . . . 1.0 . . . . . . . . . . . . A . 451 GLU C . . . . . . . . . c16596_2kqe 1 . 2 . 1508 . 1 1 89 GLU CA C -25.916 -15.974 -3.439 . . . 1.0 . . . . . . . . . . . . A . 451 GLU CA . . . . . . . . . c16596_2kqe 1 . 2 . 1509 . 1 1 89 GLU CB C -26.023 -15.253 -2.089 . . . 1.0 . . . . . . . . . . . . A . 451 GLU CB . . . . . . . . . c16596_2kqe 1 . 2 . 1510 . 1 1 89 GLU CD C -25.633 -13.104 -0.869 . . . 1.0 . . . . . . . . . . . . A . 451 GLU CD . . . . . . . . . c16596_2kqe 1 . 2 . 1511 . 1 1 89 GLU CG C -25.503 -13.817 -2.217 . . . 1.0 . . . . . . . . . . . . A . 451 GLU CG . . . . . . . . . c16596_2kqe 1 . 2 . 1512 . 1 1 89 GLU H H -24.104 -15.126 -4.247 . . . 1.0 . . . . . . . . . . . . A . 451 GLU H . . . . . . . . . c16596_2kqe 1 . 2 . 1513 . 1 1 89 GLU HA H -26.238 -16.998 -3.333 . . . 1.0 . . . . . . . . . . . . A . 451 GLU HA . . . . . . . . . c16596_2kqe 1 . 2 . 1514 . 1 1 89 GLU HB2 H -27.056 -15.233 -1.775 . . . 1.0 . . . . . . . . . . . . A . 451 GLU HB2 . . . . . . . . . c16596_2kqe 1 . 2 . 1515 . 1 1 89 GLU HB3 H -25.434 -15.781 -1.353 . . . 1.0 . . . . . . . . . . . . A . 451 GLU HB3 . . . . . . . . . c16596_2kqe 1 . 2 . 1516 . 1 1 89 GLU HG2 H -24.465 -13.836 -2.517 . . . 1.0 . . . . . . . . . . . . A . 451 GLU HG2 . . . . . . . . . c16596_2kqe 1 . 2 . 1517 . 1 1 89 GLU HG3 H -26.083 -13.289 -2.959 . . . 1.0 . . . . . . . . . . . . A . 451 GLU HG3 . . . . . . . . . c16596_2kqe 1 . 2 . 1518 . 1 1 89 GLU N N -24.464 -15.923 -3.798 . . . 1.0 . . . . . . . . . . . . A . 451 GLU N . . . . . . . . . c16596_2kqe 1 . 2 . 1519 . 1 1 89 GLU O O -26.178 -14.805 -5.478 . . . 1.0 . . . . . . . . . . . . A . 451 GLU O . . . . . . . . . c16596_2kqe 1 . 2 . 1520 . 1 1 89 GLU OXT O -27.960 -15.184 -4.328 . . . 1.0 . . . . . . . . . . . . A . 451 GLU OXT . . . . . . . . . c16596_2kqe 1 . 2 . 1521 . 1 1 89 GLU OE1 O -26.704 -12.587 -0.597 . . . 1.0 . . . . . . . . . . . . A . 451 GLU OE1 . . . . . . . . . c16596_2kqe 1 . 2 . 1522 . 1 1 89 GLU OE2 O -24.660 -13.089 -0.134 . . . 1.0 . . . . . . . . . . . . A . 451 GLU OE2 . . . . . . . . . c16596_2kqe 1 . 2 . 1523 . 2 2 1 ZN ZN Zn -0.195 1.298 1.905 . . . 1.0 . . . . . . . . . . . . A . 1001 ZN ZN . . . . . . . . . c16596_2kqe 1 . 2 . 1524 . 3 3 1 ADN C1' C 4.526 6.721 8.202 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C1' . . . . . . . . . c16596_2kqe 1 . 2 . 1525 . 3 3 1 ADN C2 C 0.813 5.003 6.657 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C2 . . . . . . . . . c16596_2kqe 1 . 2 . 1526 . 3 3 1 ADN C2' C 4.642 8.110 7.560 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C2' . . . . . . . . . c16596_2kqe 1 . 2 . 1527 . 3 3 1 ADN C3' C 5.402 8.880 8.636 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C3' . . . . . . . . . c16596_2kqe 1 . 2 . 1528 . 3 3 1 ADN C4 C 2.140 5.902 8.221 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C4 . . . . . . . . . c16596_2kqe 1 . 2 . 1529 . 3 3 1 ADN C4' C 6.324 7.821 9.224 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C4' . . . . . . . . . c16596_2kqe 1 . 2 . 1530 . 3 3 1 ADN C5 C 1.149 5.834 9.203 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C5 . . . . . . . . . c16596_2kqe 1 . 2 . 1531 . 3 3 1 ADN C5' C 6.747 8.063 10.654 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C5' . . . . . . . . . c16596_2kqe 1 . 2 . 1532 . 3 3 1 ADN C6 C -0.109 5.282 8.801 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C6 . . . . . . . . . c16596_2kqe 1 . 2 . 1533 . 3 3 1 ADN C8 C 2.851 6.689 10.136 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN C8 . . . . . . . . . c16596_2kqe 1 . 2 . 1534 . 3 3 1 ADN H1' H 4.702 5.934 7.462 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN H1' . . . . . . . . . c16596_2kqe 1 . 2 . 1535 . 3 3 1 ADN H2 H 0.654 4.661 5.637 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN H2 . . . . . . . . . c16596_2kqe 1 . 2 . 1536 . 3 3 1 ADN H2' H 3.662 8.555 7.398 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN H2' . . . . . . . . . c16596_2kqe 1 . 2 . 1537 . 3 3 1 ADN H3' H 4.738 9.300 9.392 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN H3' . . . . . . . . . c16596_2kqe 1 . 2 . 1538 . 3 3 1 ADN H4' H 7.224 7.805 8.609 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN H4' . . . . . . . . . c16596_2kqe 1 . 2 . 1539 . 3 3 1 ADN H5'1 H 7.517 7.342 10.926 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN H5'1 . . . . . . . . . c16596_2kqe 1 . 2 . 1540 . 3 3 1 ADN H5'2 H 7.161 9.069 10.739 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN H5'2 . . . . . . . . . c16596_2kqe 1 . 2 . 1541 . 3 3 1 ADN H8 H 3.504 7.122 10.860 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN H8 . . . . . . . . . c16596_2kqe 1 . 2 . 1542 . 3 3 1 ADN HN61 H -2.017 4.754 9.285 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN HN61 . . . . . . . . . c16596_2kqe 1 . 2 . 1543 . 3 3 1 ADN HN62 H -1.076 5.448 10.586 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN HN62 . . . . . . . . . c16596_2kqe 1 . 2 . 1544 . 3 3 1 ADN HO3' H 5.519 10.442 7.498 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN HO3' . . . . . . . . . c16596_2kqe 1 . 2 . 1545 . 3 3 1 ADN HO5' H 5.116 8.738 11.501 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN HO5' . . . . . . . . . c16596_2kqe 1 . 2 . 1546 . 3 3 1 ADN N1 N -0.247 4.869 7.501 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN N1 . . . . . . . . . c16596_2kqe 1 . 2 . 1547 . 3 3 1 ADN N3 N 2.041 5.504 6.925 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN N3 . . . . . . . . . c16596_2kqe 1 . 2 . 1548 . 3 3 1 ADN N6 N -1.152 5.150 9.624 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN N6 . . . . . . . . . c16596_2kqe 1 . 2 . 1549 . 3 3 1 ADN N7 N 1.616 6.336 10.405 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN N7 . . . . . . . . . c16596_2kqe 1 . 2 . 1550 . 3 3 1 ADN N9 N 3.234 6.454 8.837 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN N9 . . . . . . . . . c16596_2kqe 1 . 2 . 1551 . 3 3 1 ADN O2' O 5.399 8.051 6.357 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN O2' . . . . . . . . . c16596_2kqe 1 . 2 . 1552 . 3 3 1 ADN O3' O 6.121 9.969 8.072 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN O3' . . . . . . . . . c16596_2kqe 1 . 2 . 1553 . 3 3 1 ADN O4' O 5.557 6.591 9.163 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN O4' . . . . . . . . . c16596_2kqe 1 . 2 . 1554 . 3 3 1 ADN O5' O 5.630 7.931 11.527 . . . 1.0 . . . . . . . . . . . . A . 1002 ADN O5' . . . . . . . . . c16596_2kqe 1 . 2 . 1555 . 4 4 1 RIB C1' C 4.535 7.916 5.235 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB C1' . . . . . . . . . c16596_2kqe 1 . 2 . 1556 . 4 4 1 RIB C2' C 4.829 6.599 4.508 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB C2' . . . . . . . . . c16596_2kqe 1 . 2 . 1557 . 4 4 1 RIB C3' C 5.632 7.068 3.293 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB C3' . . . . . . . . . c16596_2kqe 1 . 2 . 1558 . 4 4 1 RIB C4' C 5.128 8.482 3.034 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB C4' . . . . . . . . . c16596_2kqe 1 . 2 . 1559 . 4 4 1 RIB C5' C 3.981 8.609 2.049 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB C5' . . . . . . . . . c16596_2kqe 1 . 2 . 1560 . 4 4 1 RIB H1' H 3.496 7.973 5.565 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB H1' . . . . . . . . . c16596_2kqe 1 . 2 . 1561 . 4 4 1 RIB H2' H 3.910 6.097 4.196 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB H2' . . . . . . . . . c16596_2kqe 1 . 2 . 1562 . 4 4 1 RIB H3' H 5.489 6.427 2.424 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB H3' . . . . . . . . . c16596_2kqe 1 . 2 . 1563 . 4 4 1 RIB H4' H 5.982 9.027 2.619 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB H4' . . . . . . . . . c16596_2kqe 1 . 2 . 1564 . 4 4 1 RIB H5'1 H 4.375 8.562 1.035 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB H5'1 . . . . . . . . . c16596_2kqe 1 . 2 . 1565 . 4 4 1 RIB H5'2 H 3.294 7.774 2.200 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB H5'2 . . . . . . . . . c16596_2kqe 1 . 2 . 1566 . 4 4 1 RIB HO2' H 5.540 6.079 6.225 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB HO2' . . . . . . . . . c16596_2kqe 1 . 2 . 1567 . 4 4 1 RIB HO3' H 7.223 7.854 4.068 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB HO3' . . . . . . . . . c16596_2kqe 1 . 2 . 1568 . 4 4 1 RIB HO5' H 2.423 9.636 2.576 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB HO5' . . . . . . . . . c16596_2kqe 1 . 2 . 1569 . 4 4 1 RIB O2' O 5.633 5.774 5.324 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB O2' . . . . . . . . . c16596_2kqe 1 . 2 . 1570 . 4 4 1 RIB O3' O 7.031 7.068 3.557 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB O3' . . . . . . . . . c16596_2kqe 1 . 2 . 1571 . 4 4 1 RIB O4' O 4.732 8.989 4.333 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB O4' . . . . . . . . . c16596_2kqe 1 . 2 . 1572 . 4 4 1 RIB O5' O 3.297 9.844 2.246 . . . 1.0 . . . . . . . . . . . . A . 1003 RIB O5' . . . . . . . . . c16596_2kqe 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c16596_2kqe _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 2kqe.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c16596_2kqe 1 1 2kqe.mr . . XPLOR/CNS 2 distance NOE simple 595 c16596_2kqe 1 1 2kqe.mr . . XPLOR/CNS 3 distance 'general distance' simple 6 c16596_2kqe 1 1 2kqe.mr . . XPLOR/CNS 4 'dihedral angle' 'Not applicable' 'Not applicable' 18 c16596_2kqe 1 1 2kqe.mr . . XPLOR/CNS 5 'dipolar coupling' 'Not applicable' 'Not applicable' 0 c16596_2kqe 1 1 2kqe.mr . . XPLOR/CNS 6 distance NOE ambi 45 c16596_2kqe 1 1 2kqe.mr . . 'MR format' 7 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c16596_2kqe 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c16596_2kqe _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c16596_2kqe 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 43 43 GLY H H . . . 1 1 44 44 GLY H H . . . . . 3.5 0.0 3.5 . . . . . A . 405 GLY H . . A . 406 GLY H . . . 405 . HN . . . . . 406 . HN . . c16596_2kqe 1 2 1 OR . 1 1 43 43 GLY H H . . . 1 1 44 44 GLY HA2 H . . . . . 5.0 0.0 5.0 . . . . . A . 405 GLY H . . A . 406 GLY HA2 . . . 405 . HN . . . . . 406 . HA* . . c16596_2kqe 1 2 2 OR . 1 1 43 43 GLY H H . . . 1 1 44 44 GLY HA3 H . . . . . 5.0 0.0 5.0 . . . . . A . 405 GLY H . . A . 406 GLY HA3 . . . 405 . HN . . . . . 406 . HA* . . c16596_2kqe 1 3 1 OR . 1 1 43 43 GLY HA2 H . . . 1 1 44 44 GLY HA2 H . . . . . 4.6 0.0 4.6 . . . . . A . 405 GLY HA2 . . A . 406 GLY HA2 . . . 405 . HA* . . . . . 406 . HA* . . c16596_2kqe 1 3 2 OR . 1 1 43 43 GLY HA3 H . . . 1 1 44 44 GLY HA2 H . . . . . 4.6 0.0 4.6 . . . . . A . 405 GLY HA3 . . A . 406 GLY HA2 . . . 405 . HA* . . . . . 406 . HA* . . c16596_2kqe 1 3 3 OR . 1 1 44 44 GLY HA3 H . . . 1 1 43 43 GLY HA2 H . . . . . 4.6 0.0 4.6 . . . . . A . 406 GLY HA3 . . A . 405 GLY HA2 . . . 406 . HA* . . . . . 405 . HA* . . c16596_2kqe 1 3 4 OR . 1 1 44 44 GLY HA3 H . . . 1 1 43 43 GLY HA3 H . . . . . 4.6 0.0 4.6 . . . . . A . 406 GLY HA3 . . A . 405 GLY HA3 . . . 406 . HA* . . . . . 405 . HA* . . c16596_2kqe 1 4 1 OR . 1 1 44 44 GLY H H . . . 1 1 44 44 GLY HA2 H . . . . . 2.9 0.0 2.9 . . . . . A . 406 GLY H . . A . 406 GLY HA2 . . . 406 . HN . . . . . 406 . HA* . . c16596_2kqe 1 4 2 OR . 1 1 44 44 GLY H H . . . 1 1 44 44 GLY HA3 H . . . . . 2.9 0.0 2.9 . . . . . A . 406 GLY H . . A . 406 GLY HA3 . . . 406 . HN . . . . . 406 . HA* . . c16596_2kqe 1 5 1 . . 1 1 44 44 GLY H H . . . 1 1 45 45 VAL H H . . . . . 3.7 0.0 3.7 . . . . . A . 406 GLY H . . A . 407 VAL H . . . 406 . HN . . . . . 407 . HN . . c16596_2kqe 1 6 1 . . 1 1 44 44 GLY H H . . . 1 1 45 45 VAL HA H . . . . . 5.5 0.0 5.5 . . . . . A . 406 GLY H . . A . 407 VAL HA . . . 406 . HN . . . . . 407 . HA . . c16596_2kqe 1 7 1 OR . 1 1 44 44 GLY H H . . . 1 1 45 45 VAL MG1 H . . . . . 5.5 0.0 5.5 . . . . . A . 406 GLY H . . A . 407 VAL MG1 . . . 406 . HN . . . . . 407 . HG* . . c16596_2kqe 1 7 2 OR . 1 1 44 44 GLY H H . . . 1 1 45 45 VAL MG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 406 GLY H . . A . 407 VAL MG2 . . . 406 . HN . . . . . 407 . HG* . . c16596_2kqe 1 8 1 OR . 1 1 45 45 VAL H H . . . 1 1 44 44 GLY HA2 H . . . . . 2.7 0.0 2.7 . . . . . A . 407 VAL H . . A . 406 GLY HA2 . . . 407 . HN . . . . . 406 . HA* . . c16596_2kqe 1 8 2 OR . 1 1 44 44 GLY HA3 H . . . 1 1 45 45 VAL H H . . . . . 2.7 0.0 2.7 . . . . . A . 406 GLY HA3 . . A . 407 VAL H . . . 406 . HA* . . . . . 407 . HN . . c16596_2kqe 1 9 1 OR . 1 1 45 45 VAL HA H . . . 1 1 44 44 GLY HA2 H . . . . . 4.2 0.0 4.2 . . . . . A . 407 VAL HA . . A . 406 GLY HA2 . . . 407 . HA . . . . . 406 . HA* . . c16596_2kqe 1 9 2 OR . 1 1 44 44 GLY HA3 H . . . 1 1 45 45 VAL HA H . . . . . 4.2 0.0 4.2 . . . . . A . 406 GLY HA3 . . A . 407 VAL HA . . . 406 . HA* . . . . . 407 . HA . . c16596_2kqe 1 10 1 OR . 1 1 45 45 VAL HB H . . . 1 1 44 44 GLY HA2 H . . . . . 4.5 0.0 4.5 . . . . . A . 407 VAL HB . . A . 406 GLY HA2 . . . 407 . HB . . . . . 406 . HA* . . c16596_2kqe 1 10 2 OR . 1 1 44 44 GLY HA3 H . . . 1 1 45 45 VAL HB H . . . . . 4.5 0.0 4.5 . . . . . A . 406 GLY HA3 . . A . 407 VAL HB . . . 406 . HA* . . . . . 407 . HB . . c16596_2kqe 1 11 1 OR . 1 1 44 44 GLY HA3 H . . . 1 1 45 45 VAL MG1 H . . . . . 4.1 0.0 4.1 . . . . . A . 406 GLY HA3 . . A . 407 VAL MG1 . . . 406 . HA* . . . . . 407 . HG* . . c16596_2kqe 1 11 2 OR . 1 1 45 45 VAL MG2 H . . . 1 1 44 44 GLY HA2 H . . . . . 4.1 0.0 4.1 . . . . . A . 407 VAL MG2 . . A . 406 GLY HA2 . . . 407 . HG* . . . . . 406 . HA* . . c16596_2kqe 1 11 3 OR . 1 1 44 44 GLY HA3 H . . . 1 1 45 45 VAL MG2 H . . . . . 4.1 0.0 4.1 . . . . . A . 406 GLY HA3 . . A . 407 VAL MG2 . . . 406 . HA* . . . . . 407 . HG* . . c16596_2kqe 1 11 4 OR . 1 1 44 44 GLY HA2 H . . . 1 1 45 45 VAL MG1 H . . . . . 4.1 0.0 4.1 . . . . . A . 406 GLY HA2 . . A . 407 VAL MG1 . . . 406 . HA* . . . . . 407 . HG* . . c16596_2kqe 1 12 1 . . 1 1 44 44 GLY H H . . . 1 1 46 46 GLN H H . . . . . 5.5 0.0 5.5 . . . . . A . 406 GLY H . . A . 408 GLN H . . . 406 . HN . . . . . 408 . HN . . c16596_2kqe 1 13 1 OR . 1 1 46 46 GLN H H . . . 1 1 44 44 GLY HA2 H . . . . . 5.0 0.0 5.0 . . . . . A . 408 GLN H . . A . 406 GLY HA2 . . . 408 . HN . . . . . 406 . HA* . . c16596_2kqe 1 13 2 OR . 1 1 44 44 GLY HA3 H . . . 1 1 46 46 GLN H H . . . . . 5.0 0.0 5.0 . . . . . A . 406 GLY HA3 . . A . 408 GLN H . . . 406 . HA* . . . . . 408 . HN . . c16596_2kqe 1 14 1 OR . 1 1 46 46 GLN HE21 H . . . 1 1 44 44 GLY HA2 H . . . . . 5.5 0.0 5.5 . . . . . A . 408 GLN HE21 . . A . 406 GLY HA2 . . . 408 . HE21 . . . . . 406 . HA* . . c16596_2kqe 1 14 2 OR . 1 1 44 44 GLY HA3 H . . . 1 1 46 46 GLN HE21 H . . . . . 5.5 0.0 5.5 . . . . . A . 406 GLY HA3 . . A . 408 GLN HE21 . . . 406 . HA* . . . . . 408 . HE21 . . c16596_2kqe 1 15 1 . . 1 1 45 45 VAL H H . . . 1 1 45 45 VAL HB H . . . . . 3.2 0.0 3.2 . . . . . A . 407 VAL H . . A . 407 VAL HB . . . 407 . HN . . . . . 407 . HB . . c16596_2kqe 1 16 1 OR . 1 1 45 45 VAL H H . . . 1 1 45 45 VAL MG1 H . . . . . 3.3 0.0 3.3 . . . . . A . 407 VAL H . . A . 407 VAL MG1 . . . 407 . HN . . . . . 407 . HG* . . c16596_2kqe 1 16 2 OR . 1 1 45 45 VAL H H . . . 1 1 45 45 VAL MG2 H . . . . . 3.3 0.0 3.3 . . . . . A . 407 VAL H . . A . 407 VAL MG2 . . . 407 . HN . . . . . 407 . HG* . . c16596_2kqe 1 17 1 OR . 1 1 45 45 VAL HA H . . . 1 1 45 45 VAL MG1 H . . . . . 3.5 0.0 3.5 . . . . . A . 407 VAL HA . . A . 407 VAL MG1 . . . 407 . HA . . . . . 407 . HG* . . c16596_2kqe 1 17 2 OR . 1 1 45 45 VAL HA H . . . 1 1 45 45 VAL MG2 H . . . . . 3.5 0.0 3.5 . . . . . A . 407 VAL HA . . A . 407 VAL MG2 . . . 407 . HA . . . . . 407 . HG* . . c16596_2kqe 1 18 1 . . 1 1 45 45 VAL H H . . . 1 1 46 46 GLN H H . . . . . 3.9 0.0 3.9 . . . . . A . 407 VAL H . . A . 408 GLN H . . . 407 . HN . . . . . 408 . HN . . c16596_2kqe 1 19 1 OR . 1 1 45 45 VAL H H . . . 1 1 46 46 GLN HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 407 VAL H . . A . 408 GLN HG2 . . . 407 . HN . . . . . 408 . HG* . . c16596_2kqe 1 19 2 OR . 1 1 45 45 VAL H H . . . 1 1 46 46 GLN HG3 H . . . . . 5.5 0.0 5.5 . . . . . A . 407 VAL H . . A . 408 GLN HG3 . . . 407 . HN . . . . . 408 . HG* . . c16596_2kqe 1 20 1 . . 1 1 45 45 VAL H H . . . 1 1 46 46 GLN HE22 H . . . . . 5.3 0.0 5.3 . . . . . A . 407 VAL H . . A . 408 GLN HE22 . . . 407 . HN . . . . . 408 . HE22 . . c16596_2kqe 1 21 1 . . 1 1 45 45 VAL HA H . . . 1 1 46 46 GLN H H . . . . . 2.7 0.0 2.7 . . . . . A . 407 VAL HA . . A . 408 GLN H . . . 407 . HA . . . . . 408 . HN . . c16596_2kqe 1 22 1 OR . 1 1 45 45 VAL HA H . . . 1 1 46 46 GLN HG2 H . . . . . 5.3 0.0 5.3 . . . . . A . 407 VAL HA . . A . 408 GLN HG2 . . . 407 . HA . . . . . 408 . HG* . . c16596_2kqe 1 22 2 OR . 1 1 45 45 VAL HA H . . . 1 1 46 46 GLN HG3 H . . . . . 5.3 0.0 5.3 . . . . . A . 407 VAL HA . . A . 408 GLN HG3 . . . 407 . HA . . . . . 408 . HG* . . c16596_2kqe 1 23 1 . . 1 1 45 45 VAL HB H . . . 1 1 46 46 GLN H H . . . . . 4.7 0.0 4.7 . . . . . A . 407 VAL HB . . A . 408 GLN H . . . 407 . HB . . . . . 408 . HN . . c16596_2kqe 1 24 1 OR . 1 1 46 46 GLN H H . . . 1 1 45 45 VAL MG1 H . . . . . 3.9 0.0 3.9 . . . . . A . 408 GLN H . . A . 407 VAL MG1 . . . 408 . HN . . . . . 407 . HG* . . c16596_2kqe 1 24 2 OR . 1 1 45 45 VAL MG2 H . . . 1 1 46 46 GLN H H . . . . . 3.9 0.0 3.9 . . . . . A . 407 VAL MG2 . . A . 408 GLN H . . . 407 . HG* . . . . . 408 . HN . . c16596_2kqe 1 25 1 OR . 1 1 46 46 GLN HE21 H . . . 1 1 45 45 VAL MG1 H . . . . . 5.5 0.0 5.5 . . . . . A . 408 GLN HE21 . . A . 407 VAL MG1 . . . 408 . HE21 . . . . . 407 . HG* . . c16596_2kqe 1 25 2 OR . 1 1 45 45 VAL MG2 H . . . 1 1 46 46 GLN HE21 H . . . . . 5.5 0.0 5.5 . . . . . A . 407 VAL MG2 . . A . 408 GLN HE21 . . . 407 . HG* . . . . . 408 . HE21 . . c16596_2kqe 1 26 1 OR . 1 1 46 46 GLN HE22 H . . . 1 1 45 45 VAL MG1 H . . . . . 5.5 0.0 5.5 . . . . . A . 408 GLN HE22 . . A . 407 VAL MG1 . . . 408 . HE22 . . . . . 407 . HG* . . c16596_2kqe 1 26 2 OR . 1 1 45 45 VAL MG2 H . . . 1 1 46 46 GLN HE22 H . . . . . 5.5 0.0 5.5 . . . . . A . 407 VAL MG2 . . A . 408 GLN HE22 . . . 407 . HG* . . . . . 408 . HE22 . . c16596_2kqe 1 27 1 OR . 1 1 46 46 GLN H H . . . 1 1 46 46 GLN HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 408 GLN H . . A . 408 GLN HB2 . . . 408 . HN . . . . . 408 . HB* . . c16596_2kqe 1 27 2 OR . 1 1 46 46 GLN H H . . . 1 1 46 46 GLN HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 408 GLN H . . A . 408 GLN HB3 . . . 408 . HN . . . . . 408 . HB* . . c16596_2kqe 1 28 1 OR . 1 1 46 46 GLN H H . . . 1 1 46 46 GLN HG2 H . . . . . 4.0 0.0 4.0 . . . . . A . 408 GLN H . . A . 408 GLN HG2 . . . 408 . HN . . . . . 408 . HG* . . c16596_2kqe 1 28 2 OR . 1 1 46 46 GLN H H . . . 1 1 46 46 GLN HG3 H . . . . . 4.0 0.0 4.0 . . . . . A . 408 GLN H . . A . 408 GLN HG3 . . . 408 . HN . . . . . 408 . HG* . . c16596_2kqe 1 29 1 OR . 1 1 46 46 GLN HA H . . . 1 1 46 46 GLN HG2 H . . . . . 4.0 0.0 4.0 . . . . . A . 408 GLN HA . . A . 408 GLN HG2 . . . 408 . HA . . . . . 408 . HG* . . c16596_2kqe 1 29 2 OR . 1 1 46 46 GLN HG3 H . . . 1 1 46 46 GLN HA H . . . . . 4.0 0.0 4.0 . . . . . A . 408 GLN HG3 . . A . 408 GLN HA . . . 408 . HG* . . . . . 408 . HA . . c16596_2kqe 1 30 1 . . 1 1 46 46 GLN HE21 H . . . 1 1 46 46 GLN HA H . . . . . 5.5 0.0 5.5 . . . . . A . 408 GLN HE21 . . A . 408 GLN HA . . . 408 . HE21 . . . . . 408 . HA . . c16596_2kqe 1 31 1 OR . 1 1 46 46 GLN HB2 H . . . 1 1 46 46 GLN HG2 H . . . . . 2.7 0.0 2.7 . . . . . A . 408 GLN HB2 . . A . 408 GLN HG2 . . . 408 . HB* . . . . . 408 . HG* . . c16596_2kqe 1 31 2 OR . 1 1 46 46 GLN HB3 H . . . 1 1 46 46 GLN HG2 H . . . . . 2.7 0.0 2.7 . . . . . A . 408 GLN HB3 . . A . 408 GLN HG2 . . . 408 . HB* . . . . . 408 . HG* . . c16596_2kqe 1 31 3 OR . 1 1 46 46 GLN HG3 H . . . 1 1 46 46 GLN HB2 H . . . . . 2.7 0.0 2.7 . . . . . A . 408 GLN HG3 . . A . 408 GLN HB2 . . . 408 . HG* . . . . . 408 . HB* . . c16596_2kqe 1 31 4 OR . 1 1 46 46 GLN HG3 H . . . 1 1 46 46 GLN HB3 H . . . . . 2.7 0.0 2.7 . . . . . A . 408 GLN HG3 . . A . 408 GLN HB3 . . . 408 . HG* . . . . . 408 . HB* . . c16596_2kqe 1 32 1 . . 1 1 46 46 GLN H H . . . 1 1 47 47 ILE H H . . . . . 4.6 0.0 4.6 . . . . . A . 408 GLN H . . A . 409 ILE H . . . 408 . HN . . . . . 409 . HN . . c16596_2kqe 1 33 1 . . 1 1 46 46 GLN HA H . . . 1 1 47 47 ILE H H . . . . . 2.7 0.0 2.7 . . . . . A . 408 GLN HA . . A . 409 ILE H . . . 408 . HA . . . . . 409 . HN . . c16596_2kqe 1 34 1 OR . 1 1 47 47 ILE H H . . . 1 1 46 46 GLN HB2 H . . . . . 3.9 0.0 3.9 . . . . . A . 409 ILE H . . A . 408 GLN HB2 . . . 409 . HN . . . . . 408 . HB* . . c16596_2kqe 1 34 2 OR . 1 1 46 46 GLN HB3 H . . . 1 1 47 47 ILE H H . . . . . 3.9 0.0 3.9 . . . . . A . 408 GLN HB3 . . A . 409 ILE H . . . 408 . HB* . . . . . 409 . HN . . c16596_2kqe 1 35 1 OR . 1 1 47 47 ILE HA H . . . 1 1 46 46 GLN HB2 H . . . . . 4.7 0.0 4.7 . . . . . A . 409 ILE HA . . A . 408 GLN HB2 . . . 409 . HA . . . . . 408 . HB* . . c16596_2kqe 1 35 2 OR . 1 1 46 46 GLN HB3 H . . . 1 1 47 47 ILE HA H . . . . . 4.7 0.0 4.7 . . . . . A . 408 GLN HB3 . . A . 409 ILE HA . . . 408 . HB* . . . . . 409 . HA . . c16596_2kqe 1 36 1 OR . 1 1 47 47 ILE H H . . . 1 1 46 46 GLN HG2 H . . . . . 4.5 0.0 4.5 . . . . . A . 409 ILE H . . A . 408 GLN HG2 . . . 409 . HN . . . . . 408 . HG* . . c16596_2kqe 1 36 2 OR . 1 1 46 46 GLN HG3 H . . . 1 1 47 47 ILE H H . . . . . 4.5 0.0 4.5 . . . . . A . 408 GLN HG3 . . A . 409 ILE H . . . 408 . HG* . . . . . 409 . HN . . c16596_2kqe 1 37 1 . . 1 1 46 46 GLN H H . . . 1 1 48 48 VAL H H . . . . . 4.9 0.0 4.9 . . . . . A . 408 GLN H . . A . 410 VAL H . . . 408 . HN . . . . . 410 . HN . . c16596_2kqe 1 38 1 OR . 1 1 48 48 VAL H H . . . 1 1 46 46 GLN HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 410 VAL H . . A . 408 GLN HB2 . . . 410 . HN . . . . . 408 . HB* . . c16596_2kqe 1 38 2 OR . 1 1 46 46 GLN HB3 H . . . 1 1 48 48 VAL H H . . . . . 5.5 0.0 5.5 . . . . . A . 408 GLN HB3 . . A . 410 VAL H . . . 408 . HB* . . . . . 410 . HN . . c16596_2kqe 1 39 1 OR . 1 1 46 46 GLN HB3 H . . . 1 1 48 48 VAL MG1 H . . . . . 3.5 0.0 3.5 . . . . . A . 408 GLN HB3 . . A . 410 VAL MG1 . . . 408 . HB* . . . . . 410 . HG* . . c16596_2kqe 1 39 2 OR . 1 1 48 48 VAL MG2 H . . . 1 1 46 46 GLN HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 410 VAL MG2 . . A . 408 GLN HB2 . . . 410 . HG* . . . . . 408 . HB* . . c16596_2kqe 1 39 3 OR . 1 1 46 46 GLN HB3 H . . . 1 1 48 48 VAL MG2 H . . . . . 3.5 0.0 3.5 . . . . . A . 408 GLN HB3 . . A . 410 VAL MG2 . . . 408 . HB* . . . . . 410 . HG* . . c16596_2kqe 1 39 4 OR . 1 1 46 46 GLN HB2 H . . . 1 1 48 48 VAL MG1 H . . . . . 3.5 0.0 3.5 . . . . . A . 408 GLN HB2 . . A . 410 VAL MG1 . . . 408 . HB* . . . . . 410 . HG* . . c16596_2kqe 1 40 1 OR . 1 1 48 48 VAL H H . . . 1 1 46 46 GLN HG2 H . . . . . 5.4 0.0 5.4 . . . . . A . 410 VAL H . . A . 408 GLN HG2 . . . 410 . HN . . . . . 408 . HG* . . c16596_2kqe 1 40 2 OR . 1 1 46 46 GLN HG3 H . . . 1 1 48 48 VAL H H . . . . . 5.4 0.0 5.4 . . . . . A . 408 GLN HG3 . . A . 410 VAL H . . . 408 . HG* . . . . . 410 . HN . . c16596_2kqe 1 41 1 OR . 1 1 46 46 GLN HG3 H . . . 1 1 48 48 VAL MG1 H . . . . . 4.8 0.0 4.8 . . . . . A . 408 GLN HG3 . . A . 410 VAL MG1 . . . 408 . HG* . . . . . 410 . HG* . . c16596_2kqe 1 41 2 OR . 1 1 46 46 GLN HG2 H . . . 1 1 48 48 VAL MG1 H . . . . . 4.8 0.0 4.8 . . . . . A . 408 GLN HG2 . . A . 410 VAL MG1 . . . 408 . HG* . . . . . 410 . HG* . . c16596_2kqe 1 41 3 OR . 1 1 48 48 VAL MG2 H . . . 1 1 46 46 GLN HG2 H . . . . . 4.8 0.0 4.8 . . . . . A . 410 VAL MG2 . . A . 408 GLN HG2 . . . 410 . HG* . . . . . 408 . HG* . . c16596_2kqe 1 41 4 OR . 1 1 46 46 GLN HG3 H . . . 1 1 48 48 VAL MG2 H . . . . . 4.8 0.0 4.8 . . . . . A . 408 GLN HG3 . . A . 410 VAL MG2 . . . 408 . HG* . . . . . 410 . HG* . . c16596_2kqe 1 42 1 OR . 1 1 46 46 GLN HE21 H . . . 1 1 48 48 VAL MG1 H . . . . . 5.5 0.0 5.5 . . . . . A . 408 GLN HE21 . . A . 410 VAL MG1 . . . 408 . HE21 . . . . . 410 . HG* . . c16596_2kqe 1 42 2 OR . 1 1 46 46 GLN HE21 H . . . 1 1 48 48 VAL MG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 408 GLN HE21 . . A . 410 VAL MG2 . . . 408 . HE21 . . . . . 410 . HG* . . c16596_2kqe 1 43 1 . . 1 1 47 47 ILE H H . . . 1 1 47 47 ILE HB H . . . . . 4.1 0.0 4.1 . . . . . A . 409 ILE H . . A . 409 ILE HB . . . 409 . HN . . . . . 409 . HB . . c16596_2kqe 1 44 1 OR . 1 1 47 47 ILE H H . . . 1 1 47 47 ILE HG12 H . . . . . 4.0 0.0 4.0 . . . . . A . 409 ILE H . . A . 409 ILE HG12 . . . 409 . HN . . . . . 409 . HG1* . . c16596_2kqe 1 44 2 OR . 1 1 47 47 ILE H H . . . 1 1 47 47 ILE HG13 H . . . . . 4.0 0.0 4.0 . . . . . A . 409 ILE H . . A . 409 ILE HG13 . . . 409 . HN . . . . . 409 . HG1* . . c16596_2kqe 1 45 1 . . 1 1 47 47 ILE H H . . . 1 1 47 47 ILE MG H . . . . . 4.3 0.0 4.3 . . . . . A . 409 ILE H . . A . 409 ILE MG . . . 409 . HN . . . . . 409 . HG2* . . c16596_2kqe 1 46 1 . . 1 1 47 47 ILE H H . . . 1 1 47 47 ILE MD H . . . . . 4.4 0.0 4.4 . . . . . A . 409 ILE H . . A . 409 ILE MD . . . 409 . HN . . . . . 409 . HD1* . . c16596_2kqe 1 47 1 OR . 1 1 47 47 ILE HA H . . . 1 1 47 47 ILE HG12 H . . . . . 4.0 0.0 4.0 . . . . . A . 409 ILE HA . . A . 409 ILE HG12 . . . 409 . HA . . . . . 409 . HG1* . . c16596_2kqe 1 47 2 OR . 1 1 47 47 ILE HA H . . . 1 1 47 47 ILE HG13 H . . . . . 4.0 0.0 4.0 . . . . . A . 409 ILE HA . . A . 409 ILE HG13 . . . 409 . HA . . . . . 409 . HG1* . . c16596_2kqe 1 48 1 . . 1 1 47 47 ILE HA H . . . 1 1 47 47 ILE MG H . . . . . 3.2 0.0 3.2 . . . . . A . 409 ILE HA . . A . 409 ILE MG . . . 409 . HA . . . . . 409 . HG2* . . c16596_2kqe 1 49 1 . . 1 1 47 47 ILE HA H . . . 1 1 47 47 ILE MD H . . . . . 4.0 0.0 4.0 . . . . . A . 409 ILE HA . . A . 409 ILE MD . . . 409 . HA . . . . . 409 . HD1* . . c16596_2kqe 1 50 1 . . 1 1 47 47 ILE HB H . . . 1 1 47 47 ILE MD H . . . . . 3.5 0.0 3.5 . . . . . A . 409 ILE HB . . A . 409 ILE MD . . . 409 . HB . . . . . 409 . HD1* . . c16596_2kqe 1 51 1 OR . 1 1 47 47 ILE MG H . . . 1 1 47 47 ILE HG12 H . . . . . 3.3 0.0 3.3 . . . . . A . 409 ILE MG . . A . 409 ILE HG12 . . . 409 . HG2* . . . . . 409 . HG1* . . c16596_2kqe 1 51 2 OR . 1 1 47 47 ILE HG13 H . . . 1 1 47 47 ILE MG H . . . . . 3.3 0.0 3.3 . . . . . A . 409 ILE HG13 . . A . 409 ILE MG . . . 409 . HG1* . . . . . 409 . HG2* . . c16596_2kqe 1 52 1 . . 1 1 47 47 ILE HA H . . . 1 1 48 48 VAL H H . . . . . 2.7 0.0 2.7 . . . . . A . 409 ILE HA . . A . 410 VAL H . . . 409 . HA . . . . . 410 . HN . . c16596_2kqe 1 53 1 . . 1 1 48 48 VAL H H . . . 1 1 47 47 ILE HB H . . . . . 4.4 0.0 4.4 . . . . . A . 410 VAL H . . A . 409 ILE HB . . . 410 . HN . . . . . 409 . HB . . c16596_2kqe 1 54 1 OR . 1 1 47 47 ILE HB H . . . 1 1 48 48 VAL MG1 H . . . . . 5.5 0.0 5.5 . . . . . A . 409 ILE HB . . A . 410 VAL MG1 . . . 409 . HB . . . . . 410 . HG* . . c16596_2kqe 1 54 2 OR . 1 1 48 48 VAL MG2 H . . . 1 1 47 47 ILE HB H . . . . . 5.5 0.0 5.5 . . . . . A . 410 VAL MG2 . . A . 409 ILE HB . . . 410 . HG* . . . . . 409 . HB . . c16596_2kqe 1 55 1 OR . 1 1 48 48 VAL H H . . . 1 1 47 47 ILE HG12 H . . . . . 5.5 0.0 5.5 . . . . . A . 410 VAL H . . A . 409 ILE HG12 . . . 410 . HN . . . . . 409 . HG1* . . c16596_2kqe 1 55 2 OR . 1 1 48 48 VAL H H . . . 1 1 47 47 ILE HG13 H . . . . . 5.5 0.0 5.5 . . . . . A . 410 VAL H . . A . 409 ILE HG13 . . . 410 . HN . . . . . 409 . HG1* . . c16596_2kqe 1 56 1 . . 1 1 48 48 VAL H H . . . 1 1 47 47 ILE MG H . . . . . 4.6 0.0 4.6 . . . . . A . 410 VAL H . . A . 409 ILE MG . . . 410 . HN . . . . . 409 . HG2* . . c16596_2kqe 1 57 1 . . 1 1 47 47 ILE HA H . . . 1 1 49 49 GLY H H . . . . . 4.9 0.0 4.9 . . . . . A . 409 ILE HA . . A . 411 GLY H . . . 409 . HA . . . . . 411 . HN . . c16596_2kqe 1 58 1 . . 1 1 47 47 ILE HB H . . . 1 1 49 49 GLY H H . . . . . 5.5 0.0 5.5 . . . . . A . 409 ILE HB . . A . 411 GLY H . . . 409 . HB . . . . . 411 . HN . . c16596_2kqe 1 59 1 . . 1 1 47 47 ILE MG H . . . 1 1 49 49 GLY H H . . . . . 5.3 0.0 5.3 . . . . . A . 409 ILE MG . . A . 411 GLY H . . . 409 . HG2* . . . . . 411 . HN . . c16596_2kqe 1 60 1 . . 1 1 47 47 ILE HA H . . . 1 1 50 50 GLN HA H . . . . . 4.3 0.0 4.3 . . . . . A . 409 ILE HA . . A . 412 GLN HA . . . 409 . HA . . . . . 412 . HA . . c16596_2kqe 1 61 1 OR . 1 1 47 47 ILE HB H . . . 1 1 50 50 GLN HG2 H . . . . . 4.7 0.0 4.7 . . . . . A . 409 ILE HB . . A . 412 GLN HG2 . . . 409 . HB . . . . . 412 . HG* . . c16596_2kqe 1 61 2 OR . 1 1 47 47 ILE HB H . . . 1 1 50 50 GLN HG3 H . . . . . 4.7 0.0 4.7 . . . . . A . 409 ILE HB . . A . 412 GLN HG3 . . . 409 . HB . . . . . 412 . HG* . . c16596_2kqe 1 62 1 . . 1 1 47 47 ILE MG H . . . 1 1 50 50 GLN H H . . . . . 5.5 0.0 5.5 . . . . . A . 409 ILE MG . . A . 412 GLN H . . . 409 . HG2* . . . . . 412 . HN . . c16596_2kqe 1 63 1 . . 1 1 47 47 ILE MG H . . . 1 1 50 50 GLN HA H . . . . . 5.3 0.0 5.3 . . . . . A . 409 ILE MG . . A . 412 GLN HA . . . 409 . HG2* . . . . . 412 . HA . . c16596_2kqe 1 64 1 OR . 1 1 47 47 ILE HG13 H . . . 1 1 50 50 GLN HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 409 ILE HG13 . . A . 412 GLN HG2 . . . 409 . HG1* . . . . . 412 . HG* . . c16596_2kqe 1 64 2 OR . 1 1 47 47 ILE HG12 H . . . 1 1 50 50 GLN HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 409 ILE HG12 . . A . 412 GLN HG2 . . . 409 . HG1* . . . . . 412 . HG* . . c16596_2kqe 1 64 3 OR . 1 1 50 50 GLN HG3 H . . . 1 1 47 47 ILE HG12 H . . . . . 5.5 0.0 5.5 . . . . . A . 412 GLN HG3 . . A . 409 ILE HG12 . . . 412 . HG* . . . . . 409 . HG1* . . c16596_2kqe 1 64 4 OR . 1 1 47 47 ILE HG13 H . . . 1 1 50 50 GLN HG3 H . . . . . 5.5 0.0 5.5 . . . . . A . 409 ILE HG13 . . A . 412 GLN HG3 . . . 409 . HG1* . . . . . 412 . HG* . . c16596_2kqe 1 65 1 OR . 1 1 47 47 ILE MG H . . . 1 1 50 50 GLN HG2 H . . . . . 4.3 0.0 4.3 . . . . . A . 409 ILE MG . . A . 412 GLN HG2 . . . 409 . HG2* . . . . . 412 . HG* . . c16596_2kqe 1 65 2 OR . 1 1 47 47 ILE MG H . . . 1 1 50 50 GLN HG3 H . . . . . 4.3 0.0 4.3 . . . . . A . 409 ILE MG . . A . 412 GLN HG3 . . . 409 . HG2* . . . . . 412 . HG* . . c16596_2kqe 1 66 1 . . 1 1 48 48 VAL H H . . . 1 1 48 48 VAL HB H . . . . . 3.3 0.0 3.3 . . . . . A . 410 VAL H . . A . 410 VAL HB . . . 410 . HN . . . . . 410 . HB . . c16596_2kqe 1 67 1 OR . 1 1 48 48 VAL H H . . . 1 1 48 48 VAL MG1 H . . . . . 3.3 0.0 3.3 . . . . . A . 410 VAL H . . A . 410 VAL MG1 . . . 410 . HN . . . . . 410 . HG* . . c16596_2kqe 1 67 2 OR . 1 1 48 48 VAL H H . . . 1 1 48 48 VAL MG2 H . . . . . 3.3 0.0 3.3 . . . . . A . 410 VAL H . . A . 410 VAL MG2 . . . 410 . HN . . . . . 410 . HG* . . c16596_2kqe 1 68 1 OR . 1 1 48 48 VAL HA H . . . 1 1 48 48 VAL MG1 H . . . . . 3.2 0.0 3.2 . . . . . A . 410 VAL HA . . A . 410 VAL MG1 . . . 410 . HA . . . . . 410 . HG* . . c16596_2kqe 1 68 2 OR . 1 1 48 48 VAL MG2 H . . . 1 1 48 48 VAL HA H . . . . . 3.2 0.0 3.2 . . . . . A . 410 VAL MG2 . . A . 410 VAL HA . . . 410 . HG* . . . . . 410 . HA . . c16596_2kqe 1 69 1 . . 1 1 48 48 VAL H H . . . 1 1 49 49 GLY H H . . . . . 4.1 0.0 4.1 . . . . . A . 410 VAL H . . A . 411 GLY H . . . 410 . HN . . . . . 411 . HN . . c16596_2kqe 1 70 1 OR . 1 1 48 48 VAL H H . . . 1 1 49 49 GLY HA2 H . . . . . 5.5 0.0 5.5 . . . . . A . 410 VAL H . . A . 411 GLY HA2 . . . 410 . HN . . . . . 411 . HA* . . c16596_2kqe 1 70 2 OR . 1 1 48 48 VAL H H . . . 1 1 49 49 GLY HA3 H . . . . . 5.5 0.0 5.5 . . . . . A . 410 VAL H . . A . 411 GLY HA3 . . . 410 . HN . . . . . 411 . HA* . . c16596_2kqe 1 71 1 . . 1 1 49 49 GLY H H . . . 1 1 48 48 VAL HA H . . . . . 2.7 0.0 2.7 . . . . . A . 411 GLY H . . A . 410 VAL HA . . . 411 . HN . . . . . 410 . HA . . c16596_2kqe 1 72 1 . . 1 1 49 49 GLY H H . . . 1 1 48 48 VAL HB H . . . . . 4.6 0.0 4.6 . . . . . A . 411 GLY H . . A . 410 VAL HB . . . 411 . HN . . . . . 410 . HB . . c16596_2kqe 1 73 1 OR . 1 1 49 49 GLY H H . . . 1 1 48 48 VAL MG1 H . . . . . 4.0 0.0 4.0 . . . . . A . 411 GLY H . . A . 410 VAL MG1 . . . 411 . HN . . . . . 410 . HG* . . c16596_2kqe 1 73 2 OR . 1 1 48 48 VAL MG2 H . . . 1 1 49 49 GLY H H . . . . . 4.0 0.0 4.0 . . . . . A . 410 VAL MG2 . . A . 411 GLY H . . . 410 . HG* . . . . . 411 . HN . . c16596_2kqe 1 74 1 OR . 1 1 48 48 VAL MG1 H . . . 1 1 49 49 GLY HA2 H . . . . . 4.2 0.0 4.2 . . . . . A . 410 VAL MG1 . . A . 411 GLY HA2 . . . 410 . HG* . . . . . 411 . HA* . . c16596_2kqe 1 74 2 OR . 1 1 48 48 VAL MG2 H . . . 1 1 49 49 GLY HA2 H . . . . . 4.2 0.0 4.2 . . . . . A . 410 VAL MG2 . . A . 411 GLY HA2 . . . 410 . HG* . . . . . 411 . HA* . . c16596_2kqe 1 74 3 OR . 1 1 49 49 GLY HA3 H . . . 1 1 48 48 VAL MG1 H . . . . . 4.2 0.0 4.2 . . . . . A . 411 GLY HA3 . . A . 410 VAL MG1 . . . 411 . HA* . . . . . 410 . HG* . . c16596_2kqe 1 74 4 OR . 1 1 48 48 VAL MG2 H . . . 1 1 49 49 GLY HA3 H . . . . . 4.2 0.0 4.2 . . . . . A . 410 VAL MG2 . . A . 411 GLY HA3 . . . 410 . HG* . . . . . 411 . HA* . . c16596_2kqe 1 75 1 . . 1 1 48 48 VAL H H . . . 1 1 50 50 GLN HA H . . . . . 5.5 0.0 5.5 . . . . . A . 410 VAL H . . A . 412 GLN HA . . . 410 . HN . . . . . 412 . HA . . c16596_2kqe 1 76 1 . . 1 1 50 50 GLN H H . . . 1 1 48 48 VAL HA H . . . . . 4.8 0.0 4.8 . . . . . A . 412 GLN H . . A . 410 VAL HA . . . 412 . HN . . . . . 410 . HA . . c16596_2kqe 1 77 1 OR . 1 1 50 50 GLN H H . . . 1 1 48 48 VAL MG1 H . . . . . 5.5 0.0 5.5 . . . . . A . 412 GLN H . . A . 410 VAL MG1 . . . 412 . HN . . . . . 410 . HG* . . c16596_2kqe 1 77 2 OR . 1 1 48 48 VAL MG2 H . . . 1 1 50 50 GLN H H . . . . . 5.5 0.0 5.5 . . . . . A . 410 VAL MG2 . . A . 412 GLN H . . . 410 . HG* . . . . . 412 . HN . . c16596_2kqe 1 78 1 OR . 1 1 49 49 GLY H H . . . 1 1 49 49 GLY HA2 H . . . . . 2.9 0.0 2.9 . . . . . A . 411 GLY H . . A . 411 GLY HA2 . . . 411 . HN . . . . . 411 . HA* . . c16596_2kqe 1 78 2 OR . 1 1 49 49 GLY H H . . . 1 1 49 49 GLY HA3 H . . . . . 2.9 0.0 2.9 . . . . . A . 411 GLY H . . A . 411 GLY HA3 . . . 411 . HN . . . . . 411 . HA* . . c16596_2kqe 1 79 1 . . 1 1 49 49 GLY H H . . . 1 1 50 50 GLN H H . . . . . 3.5 0.0 3.5 . . . . . A . 411 GLY H . . A . 412 GLN H . . . 411 . HN . . . . . 412 . HN . . c16596_2kqe 1 80 1 . . 1 1 49 49 GLY H H . . . 1 1 50 50 GLN HA H . . . . . 5.5 0.0 5.5 . . . . . A . 411 GLY H . . A . 412 GLN HA . . . 411 . HN . . . . . 412 . HA . . c16596_2kqe 1 81 1 OR . 1 1 49 49 GLY H H . . . 1 1 50 50 GLN HB2 H . . . . . 5.4 0.0 5.4 . . . . . A . 411 GLY H . . A . 412 GLN HB2 . . . 411 . HN . . . . . 412 . HB* . . c16596_2kqe 1 81 2 OR . 1 1 49 49 GLY H H . . . 1 1 50 50 GLN HB3 H . . . . . 5.4 0.0 5.4 . . . . . A . 411 GLY H . . A . 412 GLN HB3 . . . 411 . HN . . . . . 412 . HB* . . c16596_2kqe 1 82 1 OR . 1 1 49 49 GLY H H . . . 1 1 50 50 GLN HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 411 GLY H . . A . 412 GLN HG2 . . . 411 . HN . . . . . 412 . HG* . . c16596_2kqe 1 82 2 OR . 1 1 49 49 GLY H H . . . 1 1 50 50 GLN HG3 H . . . . . 5.5 0.0 5.5 . . . . . A . 411 GLY H . . A . 412 GLN HG3 . . . 411 . HN . . . . . 412 . HG* . . c16596_2kqe 1 83 1 . . 1 1 49 49 GLY H H . . . 1 1 50 50 GLN HE21 H . . . . . 5.5 0.0 5.5 . . . . . A . 411 GLY H . . A . 412 GLN HE21 . . . 411 . HN . . . . . 412 . HE21 . . c16596_2kqe 1 84 1 OR . 1 1 50 50 GLN H H . . . 1 1 49 49 GLY HA2 H . . . . . 3.0 0.0 3.0 . . . . . A . 412 GLN H . . A . 411 GLY HA2 . . . 412 . HN . . . . . 411 . HA* . . c16596_2kqe 1 84 2 OR . 1 1 50 50 GLN H H . . . 1 1 49 49 GLY HA3 H . . . . . 3.0 0.0 3.0 . . . . . A . 412 GLN H . . A . 411 GLY HA3 . . . 412 . HN . . . . . 411 . HA* . . c16596_2kqe 1 85 1 OR . 1 1 50 50 GLN HA H . . . 1 1 49 49 GLY HA2 H . . . . . 4.6 0.0 4.6 . . . . . A . 412 GLN HA . . A . 411 GLY HA2 . . . 412 . HA . . . . . 411 . HA* . . c16596_2kqe 1 85 2 OR . 1 1 50 50 GLN HA H . . . 1 1 49 49 GLY HA3 H . . . . . 4.6 0.0 4.6 . . . . . A . 412 GLN HA . . A . 411 GLY HA3 . . . 412 . HA . . . . . 411 . HA* . . c16596_2kqe 1 86 1 OR . 1 1 49 49 GLY HA2 H . . . 1 1 50 50 GLN HG2 H . . . . . 5.1 0.0 5.1 . . . . . A . 411 GLY HA2 . . A . 412 GLN HG2 . . . 411 . HA* . . . . . 412 . HG* . . c16596_2kqe 1 86 2 OR . 1 1 49 49 GLY HA3 H . . . 1 1 50 50 GLN HG2 H . . . . . 5.1 0.0 5.1 . . . . . A . 411 GLY HA3 . . A . 412 GLN HG2 . . . 411 . HA* . . . . . 412 . HG* . . c16596_2kqe 1 86 3 OR . 1 1 50 50 GLN HG3 H . . . 1 1 49 49 GLY HA2 H . . . . . 5.1 0.0 5.1 . . . . . A . 412 GLN HG3 . . A . 411 GLY HA2 . . . 412 . HG* . . . . . 411 . HA* . . c16596_2kqe 1 86 4 OR . 1 1 50 50 GLN HG3 H . . . 1 1 49 49 GLY HA3 H . . . . . 5.1 0.0 5.1 . . . . . A . 412 GLN HG3 . . A . 411 GLY HA3 . . . 412 . HG* . . . . . 411 . HA* . . c16596_2kqe 1 87 1 OR . 1 1 50 50 GLN HE22 H . . . 1 1 49 49 GLY HA2 H . . . . . 5.5 0.0 5.5 . . . . . A . 412 GLN HE22 . . A . 411 GLY HA2 . . . 412 . HE22 . . . . . 411 . HA* . . c16596_2kqe 1 87 2 OR . 1 1 49 49 GLY HA3 H . . . 1 1 50 50 GLN HE22 H . . . . . 5.5 0.0 5.5 . . . . . A . 411 GLY HA3 . . A . 412 GLN HE22 . . . 411 . HA* . . . . . 412 . HE22 . . c16596_2kqe 1 88 1 OR . 1 1 51 51 ASP H H . . . 1 1 49 49 GLY HA2 H . . . . . 4.7 0.0 4.7 . . . . . A . 413 ASP H . . A . 411 GLY HA2 . . . 413 . HN . . . . . 411 . HA* . . c16596_2kqe 1 88 2 OR . 1 1 49 49 GLY HA3 H . . . 1 1 51 51 ASP H H . . . . . 4.7 0.0 4.7 . . . . . A . 411 GLY HA3 . . A . 413 ASP H . . . 411 . HA* . . . . . 413 . HN . . c16596_2kqe 1 89 1 OR . 1 1 52 52 GLU H H . . . 1 1 49 49 GLY HA2 H . . . . . 5.5 0.0 5.5 . . . . . A . 414 GLU H . . A . 411 GLY HA2 . . . 414 . HN . . . . . 411 . HA* . . c16596_2kqe 1 89 2 OR . 1 1 49 49 GLY HA3 H . . . 1 1 52 52 GLU H H . . . . . 5.5 0.0 5.5 . . . . . A . 411 GLY HA3 . . A . 414 GLU H . . . 411 . HA* . . . . . 414 . HN . . c16596_2kqe 1 90 1 OR . 1 1 50 50 GLN H H . . . 1 1 50 50 GLN HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 412 GLN H . . A . 412 GLN HB2 . . . 412 . HN . . . . . 412 . HB* . . c16596_2kqe 1 90 2 OR . 1 1 50 50 GLN H H . . . 1 1 50 50 GLN HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 412 GLN H . . A . 412 GLN HB3 . . . 412 . HN . . . . . 412 . HB* . . c16596_2kqe 1 91 1 OR . 1 1 50 50 GLN H H . . . 1 1 50 50 GLN HG2 H . . . . . 3.9 0.0 3.9 . . . . . A . 412 GLN H . . A . 412 GLN HG2 . . . 412 . HN . . . . . 412 . HG* . . c16596_2kqe 1 91 2 OR . 1 1 50 50 GLN HG3 H . . . 1 1 50 50 GLN H H . . . . . 3.9 0.0 3.9 . . . . . A . 412 GLN HG3 . . A . 412 GLN H . . . 412 . HG* . . . . . 412 . HN . . c16596_2kqe 1 92 1 OR . 1 1 50 50 GLN HA H . . . 1 1 50 50 GLN HG2 H . . . . . 3.5 0.0 3.5 . . . . . A . 412 GLN HA . . A . 412 GLN HG2 . . . 412 . HA . . . . . 412 . HG* . . c16596_2kqe 1 92 2 OR . 1 1 50 50 GLN HA H . . . 1 1 50 50 GLN HG3 H . . . . . 3.5 0.0 3.5 . . . . . A . 412 GLN HA . . A . 412 GLN HG3 . . . 412 . HA . . . . . 412 . HG* . . c16596_2kqe 1 93 1 . . 1 1 50 50 GLN HA H . . . 1 1 50 50 GLN HE21 H . . . . . 5.5 0.0 5.5 . . . . . A . 412 GLN HA . . A . 412 GLN HE21 . . . 412 . HA . . . . . 412 . HE21 . . c16596_2kqe 1 94 1 OR . 1 1 50 50 GLN HB3 H . . . 1 1 50 50 GLN HG2 H . . . . . 2.5 0.0 2.5 . . . . . A . 412 GLN HB3 . . A . 412 GLN HG2 . . . 412 . HB* . . . . . 412 . HG* . . c16596_2kqe 1 94 2 OR . 1 1 50 50 GLN HB2 H . . . 1 1 50 50 GLN HG2 H . . . . . 2.5 0.0 2.5 . . . . . A . 412 GLN HB2 . . A . 412 GLN HG2 . . . 412 . HB* . . . . . 412 . HG* . . c16596_2kqe 1 94 3 OR . 1 1 50 50 GLN HG3 H . . . 1 1 50 50 GLN HB2 H . . . . . 2.5 0.0 2.5 . . . . . A . 412 GLN HG3 . . A . 412 GLN HB2 . . . 412 . HG* . . . . . 412 . HB* . . c16596_2kqe 1 94 4 OR . 1 1 50 50 GLN HG3 H . . . 1 1 50 50 GLN HB3 H . . . . . 2.5 0.0 2.5 . . . . . A . 412 GLN HG3 . . A . 412 GLN HB3 . . . 412 . HG* . . . . . 412 . HB* . . c16596_2kqe 1 95 1 OR . 1 1 50 50 GLN HE22 H . . . 1 1 50 50 GLN HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 412 GLN HE22 . . A . 412 GLN HB2 . . . 412 . HE22 . . . . . 412 . HB* . . c16596_2kqe 1 95 2 OR . 1 1 50 50 GLN HB3 H . . . 1 1 50 50 GLN HE22 H . . . . . 5.5 0.0 5.5 . . . . . A . 412 GLN HB3 . . A . 412 GLN HE22 . . . 412 . HB* . . . . . 412 . HE22 . . c16596_2kqe 1 96 1 . . 1 1 50 50 GLN H H . . . 1 1 51 51 ASP H H . . . . . 3.6 0.0 3.6 . . . . . A . 412 GLN H . . A . 413 ASP H . . . 412 . HN . . . . . 413 . HN . . c16596_2kqe 1 97 1 . . 1 1 50 50 GLN H H . . . 1 1 51 51 ASP HA H . . . . . 5.5 0.0 5.5 . . . . . A . 412 GLN H . . A . 413 ASP HA . . . 412 . HN . . . . . 413 . HA . . c16596_2kqe 1 98 1 OR . 1 1 51 51 ASP H H . . . 1 1 50 50 GLN HB2 H . . . . . 4.1 0.0 4.1 . . . . . A . 413 ASP H . . A . 412 GLN HB2 . . . 413 . HN . . . . . 412 . HB* . . c16596_2kqe 1 98 2 OR . 1 1 50 50 GLN HB3 H . . . 1 1 51 51 ASP H H . . . . . 4.1 0.0 4.1 . . . . . A . 412 GLN HB3 . . A . 413 ASP H . . . 412 . HB* . . . . . 413 . HN . . c16596_2kqe 1 99 1 OR . 1 1 51 51 ASP H H . . . 1 1 50 50 GLN HG2 H . . . . . 4.3 0.0 4.3 . . . . . A . 413 ASP H . . A . 412 GLN HG2 . . . 413 . HN . . . . . 412 . HG* . . c16596_2kqe 1 99 2 OR . 1 1 50 50 GLN HG3 H . . . 1 1 51 51 ASP H H . . . . . 4.3 0.0 4.3 . . . . . A . 412 GLN HG3 . . A . 413 ASP H . . . 412 . HG* . . . . . 413 . HN . . c16596_2kqe 1 100 1 . . 1 1 50 50 GLN HE21 H . . . 1 1 51 51 ASP HA H . . . . . 5.5 0.0 5.5 . . . . . A . 412 GLN HE21 . . A . 413 ASP HA . . . 412 . HE21 . . . . . 413 . HA . . c16596_2kqe 1 101 1 . . 1 1 50 50 GLN HE21 H . . . 1 1 52 52 GLU H H . . . . . 5.5 0.0 5.5 . . . . . A . 412 GLN HE21 . . A . 414 GLU H . . . 412 . HE21 . . . . . 414 . HN . . c16596_2kqe 1 102 1 . . 1 1 50 50 GLN HE22 H . . . 1 1 52 52 GLU H H . . . . . 5.5 0.0 5.5 . . . . . A . 412 GLN HE22 . . A . 414 GLU H . . . 412 . HE22 . . . . . 414 . HN . . c16596_2kqe 1 103 1 . . 1 1 50 50 GLN HE22 H . . . 1 1 53 53 THR H H . . . . . 5.5 0.0 5.5 . . . . . A . 412 GLN HE22 . . A . 415 THR H . . . 412 . HE22 . . . . . 415 . HN . . c16596_2kqe 1 104 1 . . 1 1 50 50 GLN HE22 H . . . 1 1 53 53 THR MG H . . . . . 5.5 0.0 5.5 . . . . . A . 412 GLN HE22 . . A . 415 THR MG . . . 412 . HE22 . . . . . 415 . HG2* . . c16596_2kqe 1 105 1 OR . 1 1 51 51 ASP H H . . . 1 1 51 51 ASP HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 413 ASP H . . A . 413 ASP HB2 . . . 413 . HN . . . . . 413 . HB* . . c16596_2kqe 1 105 2 OR . 1 1 51 51 ASP H H . . . 1 1 51 51 ASP HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 413 ASP H . . A . 413 ASP HB3 . . . 413 . HN . . . . . 413 . HB* . . c16596_2kqe 1 106 1 . . 1 1 51 51 ASP H H . . . 1 1 52 52 GLU H H . . . . . 3.1 0.0 3.1 . . . . . A . 413 ASP H . . A . 414 GLU H . . . 413 . HN . . . . . 414 . HN . . c16596_2kqe 1 107 1 . . 1 1 52 52 GLU H H . . . 1 1 51 51 ASP HA H . . . . . 3.0 0.0 3.0 . . . . . A . 414 GLU H . . A . 413 ASP HA . . . 414 . HN . . . . . 413 . HA . . c16596_2kqe 1 108 1 OR . 1 1 52 52 GLU H H . . . 1 1 51 51 ASP HB2 H . . . . . 4.3 0.0 4.3 . . . . . A . 414 GLU H . . A . 413 ASP HB2 . . . 414 . HN . . . . . 413 . HB* . . c16596_2kqe 1 108 2 OR . 1 1 52 52 GLU H H . . . 1 1 51 51 ASP HB3 H . . . . . 4.3 0.0 4.3 . . . . . A . 414 GLU H . . A . 413 ASP HB3 . . . 414 . HN . . . . . 413 . HB* . . c16596_2kqe 1 109 1 . . 1 1 51 51 ASP HA H . . . 1 1 53 53 THR H H . . . . . 5.2 0.0 5.2 . . . . . A . 413 ASP HA . . A . 415 THR H . . . 413 . HA . . . . . 415 . HN . . c16596_2kqe 1 110 1 . . 1 1 51 51 ASP HA H . . . 1 1 53 53 THR MG H . . . . . 5.3 0.0 5.3 . . . . . A . 413 ASP HA . . A . 415 THR MG . . . 413 . HA . . . . . 415 . HG2* . . c16596_2kqe 1 111 1 OR . 1 1 53 53 THR H H . . . 1 1 51 51 ASP HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 415 THR H . . A . 413 ASP HB2 . . . 415 . HN . . . . . 413 . HB* . . c16596_2kqe 1 111 2 OR . 1 1 53 53 THR H H . . . 1 1 51 51 ASP HB3 H . . . . . 5.5 0.0 5.5 . . . . . A . 415 THR H . . A . 413 ASP HB3 . . . 415 . HN . . . . . 413 . HB* . . c16596_2kqe 1 112 1 OR . 1 1 52 52 GLU H H . . . 1 1 52 52 GLU HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 414 GLU H . . A . 414 GLU HB2 . . . 414 . HN . . . . . 414 . HB* . . c16596_2kqe 1 112 2 OR . 1 1 52 52 GLU H H . . . 1 1 52 52 GLU HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 414 GLU H . . A . 414 GLU HB3 . . . 414 . HN . . . . . 414 . HB* . . c16596_2kqe 1 113 1 OR . 1 1 52 52 GLU H H . . . 1 1 52 52 GLU HG2 H . . . . . 4.1 0.0 4.1 . . . . . A . 414 GLU H . . A . 414 GLU HG2 . . . 414 . HN . . . . . 414 . HG* . . c16596_2kqe 1 113 2 OR . 1 1 52 52 GLU H H . . . 1 1 52 52 GLU HG3 H . . . . . 4.1 0.0 4.1 . . . . . A . 414 GLU H . . A . 414 GLU HG3 . . . 414 . HN . . . . . 414 . HG* . . c16596_2kqe 1 114 1 OR . 1 1 52 52 GLU HA H . . . 1 1 52 52 GLU HG2 H . . . . . 4.0 0.0 4.0 . . . . . A . 414 GLU HA . . A . 414 GLU HG2 . . . 414 . HA . . . . . 414 . HG* . . c16596_2kqe 1 114 2 OR . 1 1 52 52 GLU HG3 H . . . 1 1 52 52 GLU HA H . . . . . 4.0 0.0 4.0 . . . . . A . 414 GLU HG3 . . A . 414 GLU HA . . . 414 . HG* . . . . . 414 . HA . . c16596_2kqe 1 115 1 . . 1 1 52 52 GLU H H . . . 1 1 53 53 THR H H . . . . . 3.4 0.0 3.4 . . . . . A . 414 GLU H . . A . 415 THR H . . . 414 . HN . . . . . 415 . HN . . c16596_2kqe 1 116 1 . . 1 1 52 52 GLU H H . . . 1 1 53 53 THR MG H . . . . . 5.5 0.0 5.5 . . . . . A . 414 GLU H . . A . 415 THR MG . . . 414 . HN . . . . . 415 . HG2* . . c16596_2kqe 1 117 1 . . 1 1 53 53 THR H H . . . 1 1 52 52 GLU HA H . . . . . 3.1 0.0 3.1 . . . . . A . 415 THR H . . A . 414 GLU HA . . . 415 . HN . . . . . 414 . HA . . c16596_2kqe 1 118 1 . . 1 1 53 53 THR MG H . . . 1 1 52 52 GLU HA H . . . . . 5.0 0.0 5.0 . . . . . A . 415 THR MG . . A . 414 GLU HA . . . 415 . HG2* . . . . . 414 . HA . . c16596_2kqe 1 119 1 OR . 1 1 53 53 THR H H . . . 1 1 52 52 GLU HB2 H . . . . . 4.2 0.0 4.2 . . . . . A . 415 THR H . . A . 414 GLU HB2 . . . 415 . HN . . . . . 414 . HB* . . c16596_2kqe 1 119 2 OR . 1 1 53 53 THR H H . . . 1 1 52 52 GLU HB3 H . . . . . 4.2 0.0 4.2 . . . . . A . 415 THR H . . A . 414 GLU HB3 . . . 415 . HN . . . . . 414 . HB* . . c16596_2kqe 1 120 1 OR . 1 1 53 53 THR MG H . . . 1 1 52 52 GLU HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 415 THR MG . . A . 414 GLU HB2 . . . 415 . HG2* . . . . . 414 . HB* . . c16596_2kqe 1 120 2 OR . 1 1 53 53 THR MG H . . . 1 1 52 52 GLU HB3 H . . . . . 5.5 0.0 5.5 . . . . . A . 415 THR MG . . A . 414 GLU HB3 . . . 415 . HG2* . . . . . 414 . HB* . . c16596_2kqe 1 121 1 OR . 1 1 53 53 THR H H . . . 1 1 52 52 GLU HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 415 THR H . . A . 414 GLU HG2 . . . 415 . HN . . . . . 414 . HG* . . c16596_2kqe 1 121 2 OR . 1 1 53 53 THR H H . . . 1 1 52 52 GLU HG3 H . . . . . 5.5 0.0 5.5 . . . . . A . 415 THR H . . A . 414 GLU HG3 . . . 415 . HN . . . . . 414 . HG* . . c16596_2kqe 1 122 1 OR . 1 1 53 53 THR MG H . . . 1 1 52 52 GLU HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 415 THR MG . . A . 414 GLU HG2 . . . 415 . HG2* . . . . . 414 . HG* . . c16596_2kqe 1 122 2 OR . 1 1 53 53 THR MG H . . . 1 1 52 52 GLU HG3 H . . . . . 5.5 0.0 5.5 . . . . . A . 415 THR MG . . A . 414 GLU HG3 . . . 415 . HG2* . . . . . 414 . HG* . . c16596_2kqe 1 123 1 . . 1 1 52 52 GLU HA H . . . 1 1 54 54 ASP H H . . . . . 4.1 0.0 4.1 . . . . . A . 414 GLU HA . . A . 416 ASP H . . . 414 . HA . . . . . 416 . HN . . c16596_2kqe 1 124 1 OR . 1 1 54 54 ASP H H . . . 1 1 52 52 GLU HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 416 ASP H . . A . 414 GLU HB2 . . . 416 . HN . . . . . 414 . HB* . . c16596_2kqe 1 124 2 OR . 1 1 52 52 GLU HB3 H . . . 1 1 54 54 ASP H H . . . . . 5.5 0.0 5.5 . . . . . A . 414 GLU HB3 . . A . 416 ASP H . . . 414 . HB* . . . . . 416 . HN . . c16596_2kqe 1 125 1 . . 1 1 53 53 THR H H . . . 1 1 53 53 THR HB H . . . . . 3.4 0.0 3.4 . . . . . A . 415 THR H . . A . 415 THR HB . . . 415 . HN . . . . . 415 . HB . . c16596_2kqe 1 126 1 . . 1 1 53 53 THR H H . . . 1 1 53 53 THR MG H . . . . . 3.6 0.0 3.6 . . . . . A . 415 THR H . . A . 415 THR MG . . . 415 . HN . . . . . 415 . HG2* . . c16596_2kqe 1 127 1 . . 1 1 53 53 THR HB H . . . 1 1 53 53 THR HA H . . . . . 3.0 0.0 3.0 . . . . . A . 415 THR HB . . A . 415 THR HA . . . 415 . HB . . . . . 415 . HA . . c16596_2kqe 1 128 1 . . 1 1 53 53 THR MG H . . . 1 1 53 53 THR HA H . . . . . 3.3 0.0 3.3 . . . . . A . 415 THR MG . . A . 415 THR HA . . . 415 . HG2* . . . . . 415 . HA . . c16596_2kqe 1 129 1 OR . 1 1 53 53 THR H H . . . 1 1 54 54 ASP HB2 H . . . . . 5.0 0.0 5.0 . . . . . A . 415 THR H . . A . 416 ASP HB2 . . . 415 . HN . . . . . 416 . HB* . . c16596_2kqe 1 129 2 OR . 1 1 53 53 THR H H . . . 1 1 54 54 ASP HB3 H . . . . . 5.0 0.0 5.0 . . . . . A . 415 THR H . . A . 416 ASP HB3 . . . 415 . HN . . . . . 416 . HB* . . c16596_2kqe 1 130 1 . . 1 1 54 54 ASP H H . . . 1 1 53 53 THR HA H . . . . . 2.8 0.0 2.8 . . . . . A . 416 ASP H . . A . 415 THR HA . . . 416 . HN . . . . . 415 . HA . . c16596_2kqe 1 131 1 . . 1 1 53 53 THR HA H . . . 1 1 54 54 ASP HA H . . . . . 4.9 0.0 4.9 . . . . . A . 415 THR HA . . A . 416 ASP HA . . . 415 . HA . . . . . 416 . HA . . c16596_2kqe 1 132 1 OR . 1 1 53 53 THR HA H . . . 1 1 54 54 ASP HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 415 THR HA . . A . 416 ASP HB2 . . . 415 . HA . . . . . 416 . HB* . . c16596_2kqe 1 132 2 OR . 1 1 53 53 THR HA H . . . 1 1 54 54 ASP HB3 H . . . . . 5.5 0.0 5.5 . . . . . A . 415 THR HA . . A . 416 ASP HB3 . . . 415 . HA . . . . . 416 . HB* . . c16596_2kqe 1 133 1 . . 1 1 53 53 THR MG H . . . 1 1 54 54 ASP H H . . . . . 4.2 0.0 4.2 . . . . . A . 415 THR MG . . A . 416 ASP H . . . 415 . HG2* . . . . . 416 . HN . . c16596_2kqe 1 134 1 . . 1 1 53 53 THR HA H . . . 1 1 55 55 ASP H H . . . . . 5.5 0.0 5.5 . . . . . A . 415 THR HA . . A . 417 ASP H . . . 415 . HA . . . . . 417 . HN . . c16596_2kqe 1 135 1 . . 1 1 53 53 THR HB H . . . 1 1 55 55 ASP H H . . . . . 5.2 0.0 5.2 . . . . . A . 415 THR HB . . A . 417 ASP H . . . 415 . HB . . . . . 417 . HN . . c16596_2kqe 1 136 1 . . 1 1 53 53 THR MG H . . . 1 1 55 55 ASP H H . . . . . 5.5 0.0 5.5 . . . . . A . 415 THR MG . . A . 417 ASP H . . . 415 . HG2* . . . . . 417 . HN . . c16596_2kqe 1 137 1 . . 1 1 53 53 THR MG H . . . 1 1 56 56 ARG H H . . . . . 5.5 0.0 5.5 . . . . . A . 415 THR MG . . A . 418 ARG H . . . 415 . HG2* . . . . . 418 . HN . . c16596_2kqe 1 138 1 OR . 1 1 53 53 THR MG H . . . 1 1 56 56 ARG HD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 415 THR MG . . A . 418 ARG HD2 . . . 415 . HG2* . . . . . 418 . HD* . . c16596_2kqe 1 138 2 OR . 1 1 53 53 THR MG H . . . 1 1 56 56 ARG HD3 H . . . . . 5.5 0.0 5.5 . . . . . A . 415 THR MG . . A . 418 ARG HD3 . . . 415 . HG2* . . . . . 418 . HD* . . c16596_2kqe 1 139 1 OR . 1 1 54 54 ASP H H . . . 1 1 54 54 ASP HB2 H . . . . . 3.4 0.0 3.4 . . . . . A . 416 ASP H . . A . 416 ASP HB2 . . . 416 . HN . . . . . 416 . HB* . . c16596_2kqe 1 139 2 OR . 1 1 54 54 ASP H H . . . 1 1 54 54 ASP HB3 H . . . . . 3.4 0.0 3.4 . . . . . A . 416 ASP H . . A . 416 ASP HB3 . . . 416 . HN . . . . . 416 . HB* . . c16596_2kqe 1 140 1 . . 1 1 54 54 ASP H H . . . 1 1 55 55 ASP H H . . . . . 4.2 0.0 4.2 . . . . . A . 416 ASP H . . A . 417 ASP H . . . 416 . HN . . . . . 417 . HN . . c16596_2kqe 1 141 1 . . 1 1 54 54 ASP HA H . . . 1 1 55 55 ASP H H . . . . . 3.4 0.0 3.4 . . . . . A . 416 ASP HA . . A . 417 ASP H . . . 416 . HA . . . . . 417 . HN . . c16596_2kqe 1 142 1 OR . 1 1 55 55 ASP H H . . . 1 1 54 54 ASP HB2 H . . . . . 3.9 0.0 3.9 . . . . . A . 417 ASP H . . A . 416 ASP HB2 . . . 417 . HN . . . . . 416 . HB* . . c16596_2kqe 1 142 2 OR . 1 1 54 54 ASP HB3 H . . . 1 1 55 55 ASP H H . . . . . 3.9 0.0 3.9 . . . . . A . 416 ASP HB3 . . A . 417 ASP H . . . 416 . HB* . . . . . 417 . HN . . c16596_2kqe 1 143 1 . . 1 1 54 54 ASP H H . . . 1 1 56 56 ARG H H . . . . . 4.7 0.0 4.7 . . . . . A . 416 ASP H . . A . 418 ARG H . . . 416 . HN . . . . . 418 . HN . . c16596_2kqe 1 144 1 OR . 1 1 54 54 ASP HA H . . . 1 1 56 56 ARG HG2 H . . . . . 5.2 0.0 5.2 . . . . . A . 416 ASP HA . . A . 418 ARG HG2 . . . 416 . HA . . . . . 418 . HG* . . c16596_2kqe 1 144 2 OR . 1 1 54 54 ASP HA H . . . 1 1 56 56 ARG HG3 H . . . . . 5.2 0.0 5.2 . . . . . A . 416 ASP HA . . A . 418 ARG HG3 . . . 416 . HA . . . . . 418 . HG* . . c16596_2kqe 1 145 1 OR . 1 1 56 56 ARG H H . . . 1 1 54 54 ASP HB2 H . . . . . 5.1 0.0 5.1 . . . . . A . 418 ARG H . . A . 416 ASP HB2 . . . 418 . HN . . . . . 416 . HB* . . c16596_2kqe 1 145 2 OR . 1 1 54 54 ASP HB3 H . . . 1 1 56 56 ARG H H . . . . . 5.1 0.0 5.1 . . . . . A . 416 ASP HB3 . . A . 418 ARG H . . . 416 . HB* . . . . . 418 . HN . . c16596_2kqe 1 146 1 . . 1 1 55 55 ASP H H . . . 1 1 56 56 ARG H H . . . . . 3.2 0.0 3.2 . . . . . A . 417 ASP H . . A . 418 ARG H . . . 417 . HN . . . . . 418 . HN . . c16596_2kqe 1 147 1 . . 1 1 55 55 ASP H H . . . 1 1 56 56 ARG HA H . . . . . 4.8 0.0 4.8 . . . . . A . 417 ASP H . . A . 418 ARG HA . . . 417 . HN . . . . . 418 . HA . . c16596_2kqe 1 148 1 OR . 1 1 55 55 ASP H H . . . 1 1 56 56 ARG HG2 H . . . . . 4.9 0.0 4.9 . . . . . A . 417 ASP H . . A . 418 ARG HG2 . . . 417 . HN . . . . . 418 . HG* . . c16596_2kqe 1 148 2 OR . 1 1 55 55 ASP H H . . . 1 1 56 56 ARG HG3 H . . . . . 4.9 0.0 4.9 . . . . . A . 417 ASP H . . A . 418 ARG HG3 . . . 417 . HN . . . . . 418 . HG* . . c16596_2kqe 1 149 1 OR . 1 1 56 56 ARG H H . . . 1 1 56 56 ARG HB2 H . . . . . 3.6 0.0 3.6 . . . . . A . 418 ARG H . . A . 418 ARG HB2 . . . 418 . HN . . . . . 418 . HB* . . c16596_2kqe 1 149 2 OR . 1 1 56 56 ARG H H . . . 1 1 56 56 ARG HB3 H . . . . . 3.6 0.0 3.6 . . . . . A . 418 ARG H . . A . 418 ARG HB3 . . . 418 . HN . . . . . 418 . HB* . . c16596_2kqe 1 150 1 OR . 1 1 56 56 ARG H H . . . 1 1 56 56 ARG HG2 H . . . . . 3.6 0.0 3.6 . . . . . A . 418 ARG H . . A . 418 ARG HG2 . . . 418 . HN . . . . . 418 . HG* . . c16596_2kqe 1 150 2 OR . 1 1 56 56 ARG H H . . . 1 1 56 56 ARG HG3 H . . . . . 3.6 0.0 3.6 . . . . . A . 418 ARG H . . A . 418 ARG HG3 . . . 418 . HN . . . . . 418 . HG* . . c16596_2kqe 1 151 1 OR . 1 1 56 56 ARG H H . . . 1 1 56 56 ARG HD2 H . . . . . 4.9 0.0 4.9 . . . . . A . 418 ARG H . . A . 418 ARG HD2 . . . 418 . HN . . . . . 418 . HD* . . c16596_2kqe 1 151 2 OR . 1 1 56 56 ARG H H . . . 1 1 56 56 ARG HD3 H . . . . . 4.9 0.0 4.9 . . . . . A . 418 ARG H . . A . 418 ARG HD3 . . . 418 . HN . . . . . 418 . HD* . . c16596_2kqe 1 152 1 OR . 1 1 56 56 ARG HA H . . . 1 1 56 56 ARG HG2 H . . . . . 3.8 0.0 3.8 . . . . . A . 418 ARG HA . . A . 418 ARG HG2 . . . 418 . HA . . . . . 418 . HG* . . c16596_2kqe 1 152 2 OR . 1 1 56 56 ARG HG3 H . . . 1 1 56 56 ARG HA H . . . . . 3.8 0.0 3.8 . . . . . A . 418 ARG HG3 . . A . 418 ARG HA . . . 418 . HG* . . . . . 418 . HA . . c16596_2kqe 1 153 1 OR . 1 1 56 56 ARG HA H . . . 1 1 56 56 ARG HD2 H . . . . . 4.6 0.0 4.6 . . . . . A . 418 ARG HA . . A . 418 ARG HD2 . . . 418 . HA . . . . . 418 . HD* . . c16596_2kqe 1 153 2 OR . 1 1 56 56 ARG HD3 H . . . 1 1 56 56 ARG HA H . . . . . 4.6 0.0 4.6 . . . . . A . 418 ARG HD3 . . A . 418 ARG HA . . . 418 . HD* . . . . . 418 . HA . . c16596_2kqe 1 154 1 OR . 1 1 56 56 ARG HB2 H . . . 1 1 56 56 ARG HD2 H . . . . . 3.3 0.0 3.3 . . . . . A . 418 ARG HB2 . . A . 418 ARG HD2 . . . 418 . HB* . . . . . 418 . HD* . . c16596_2kqe 1 154 2 OR . 1 1 56 56 ARG HB3 H . . . 1 1 56 56 ARG HD2 H . . . . . 3.3 0.0 3.3 . . . . . A . 418 ARG HB3 . . A . 418 ARG HD2 . . . 418 . HB* . . . . . 418 . HD* . . c16596_2kqe 1 154 3 OR . 1 1 56 56 ARG HD3 H . . . 1 1 56 56 ARG HB2 H . . . . . 3.3 0.0 3.3 . . . . . A . 418 ARG HD3 . . A . 418 ARG HB2 . . . 418 . HD* . . . . . 418 . HB* . . c16596_2kqe 1 154 4 OR . 1 1 56 56 ARG HD3 H . . . 1 1 56 56 ARG HB3 H . . . . . 3.3 0.0 3.3 . . . . . A . 418 ARG HD3 . . A . 418 ARG HB3 . . . 418 . HD* . . . . . 418 . HB* . . c16596_2kqe 1 155 1 OR . 1 1 56 56 ARG H H . . . 1 1 57 57 PRO HD2 H . . . . . 5.0 0.0 5.0 . . . . . A . 418 ARG H . . A . 419 PRO HD2 . . . 418 . HN . . . . . 419 . HD* . . c16596_2kqe 1 155 2 OR . 1 1 56 56 ARG H H . . . 1 1 57 57 PRO HD3 H . . . . . 5.0 0.0 5.0 . . . . . A . 418 ARG H . . A . 419 PRO HD3 . . . 418 . HN . . . . . 419 . HD* . . c16596_2kqe 1 156 1 OR . 1 1 56 56 ARG HA H . . . 1 1 57 57 PRO HB2 H . . . . . 5.0 0.0 5.0 . . . . . A . 418 ARG HA . . A . 419 PRO HB2 . . . 418 . HA . . . . . 419 . HB* . . c16596_2kqe 1 156 2 OR . 1 1 56 56 ARG HA H . . . 1 1 57 57 PRO HB3 H . . . . . 5.0 0.0 5.0 . . . . . A . 418 ARG HA . . A . 419 PRO HB3 . . . 418 . HA . . . . . 419 . HB* . . c16596_2kqe 1 157 1 OR . 1 1 56 56 ARG HA H . . . 1 1 57 57 PRO HG2 H . . . . . 4.0 0.0 4.0 . . . . . A . 418 ARG HA . . A . 419 PRO HG2 . . . 418 . HA . . . . . 419 . HG* . . c16596_2kqe 1 157 2 OR . 1 1 56 56 ARG HA H . . . 1 1 57 57 PRO HG3 H . . . . . 4.0 0.0 4.0 . . . . . A . 418 ARG HA . . A . 419 PRO HG3 . . . 418 . HA . . . . . 419 . HG* . . c16596_2kqe 1 158 1 OR . 1 1 56 56 ARG HA H . . . 1 1 57 57 PRO HD2 H . . . . . 3.2 0.0 3.2 . . . . . A . 418 ARG HA . . A . 419 PRO HD2 . . . 418 . HA . . . . . 419 . HD* . . c16596_2kqe 1 158 2 OR . 1 1 56 56 ARG HA H . . . 1 1 57 57 PRO HD3 H . . . . . 3.2 0.0 3.2 . . . . . A . 418 ARG HA . . A . 419 PRO HD3 . . . 418 . HA . . . . . 419 . HD* . . c16596_2kqe 1 159 1 OR . 1 1 57 57 PRO HA H . . . 1 1 56 56 ARG HB2 H . . . . . 5.0 0.0 5.0 . . . . . A . 419 PRO HA . . A . 418 ARG HB2 . . . 419 . HA . . . . . 418 . HB* . . c16596_2kqe 1 159 2 OR . 1 1 56 56 ARG HB3 H . . . 1 1 57 57 PRO HA H . . . . . 5.0 0.0 5.0 . . . . . A . 418 ARG HB3 . . A . 419 PRO HA . . . 418 . HB* . . . . . 419 . HA . . c16596_2kqe 1 160 1 OR . 1 1 56 56 ARG HB3 H . . . 1 1 57 57 PRO HD2 H . . . . . 3.8 0.0 3.8 . . . . . A . 418 ARG HB3 . . A . 419 PRO HD2 . . . 418 . HB* . . . . . 419 . HD* . . c16596_2kqe 1 160 2 OR . 1 1 56 56 ARG HB2 H . . . 1 1 57 57 PRO HD2 H . . . . . 3.8 0.0 3.8 . . . . . A . 418 ARG HB2 . . A . 419 PRO HD2 . . . 418 . HB* . . . . . 419 . HD* . . c16596_2kqe 1 160 3 OR . 1 1 57 57 PRO HD3 H . . . 1 1 56 56 ARG HB2 H . . . . . 3.8 0.0 3.8 . . . . . A . 419 PRO HD3 . . A . 418 ARG HB2 . . . 419 . HD* . . . . . 418 . HB* . . c16596_2kqe 1 160 4 OR . 1 1 56 56 ARG HB3 H . . . 1 1 57 57 PRO HD3 H . . . . . 3.8 0.0 3.8 . . . . . A . 418 ARG HB3 . . A . 419 PRO HD3 . . . 418 . HB* . . . . . 419 . HD* . . c16596_2kqe 1 161 1 OR . 1 1 75 75 GLU HA H . . . 1 1 56 56 ARG HD2 H . . . . . 4.9 0.0 4.9 . . . . . A . 437 GLU HA . . A . 418 ARG HD2 . . . 437 . HA . . . . . 418 . HD* . . c16596_2kqe 1 161 2 OR . 1 1 56 56 ARG HD3 H . . . 1 1 75 75 GLU HA H . . . . . 4.9 0.0 4.9 . . . . . A . 418 ARG HD3 . . A . 437 GLU HA . . . 418 . HD* . . . . . 437 . HA . . c16596_2kqe 1 162 1 OR . 1 1 76 76 TYR HA H . . . 1 1 56 56 ARG HB2 H . . . . . 3.7 0.0 3.7 . . . . . A . 438 TYR HA . . A . 418 ARG HB2 . . . 438 . HA . . . . . 418 . HB* . . c16596_2kqe 1 162 2 OR . 1 1 56 56 ARG HB3 H . . . 1 1 76 76 TYR HA H . . . . . 3.7 0.0 3.7 . . . . . A . 418 ARG HB3 . . A . 438 TYR HA . . . 418 . HB* . . . . . 438 . HA . . c16596_2kqe 1 163 1 OR . 1 1 76 76 TYR H H . . . 1 1 56 56 ARG HD2 H . . . . . 5.1 0.0 5.1 . . . . . A . 438 TYR H . . A . 418 ARG HD2 . . . 438 . HN . . . . . 418 . HD* . . c16596_2kqe 1 163 2 OR . 1 1 56 56 ARG HD3 H . . . 1 1 76 76 TYR H H . . . . . 5.1 0.0 5.1 . . . . . A . 418 ARG HD3 . . A . 438 TYR H . . . 418 . HD* . . . . . 438 . HN . . c16596_2kqe 1 164 1 OR . 1 1 56 56 ARG H H . . . 1 1 77 77 ARG HG2 H . . . . . 5.4 0.0 5.4 . . . . . A . 418 ARG H . . A . 439 ARG HG2 . . . 418 . HN . . . . . 439 . HG* . . c16596_2kqe 1 164 2 OR . 1 1 56 56 ARG H H . . . 1 1 77 77 ARG HG3 H . . . . . 5.4 0.0 5.4 . . . . . A . 418 ARG H . . A . 439 ARG HG3 . . . 418 . HN . . . . . 439 . HG* . . c16596_2kqe 1 165 1 OR . 1 1 56 56 ARG H H . . . 1 1 77 77 ARG HD2 H . . . . . 4.9 0.0 4.9 . . . . . A . 418 ARG H . . A . 439 ARG HD2 . . . 418 . HN . . . . . 439 . HD* . . c16596_2kqe 1 165 2 OR . 1 1 56 56 ARG H H . . . 1 1 77 77 ARG HD3 H . . . . . 4.9 0.0 4.9 . . . . . A . 418 ARG H . . A . 439 ARG HD3 . . . 418 . HN . . . . . 439 . HD* . . c16596_2kqe 1 166 1 . . 1 1 56 56 ARG HA H . . . 1 1 77 77 ARG H H . . . . . 5.5 0.0 5.5 . . . . . A . 418 ARG HA . . A . 439 ARG H . . . 418 . HA . . . . . 439 . HN . . c16596_2kqe 1 167 1 OR . 1 1 77 77 ARG H H . . . 1 1 56 56 ARG HB2 H . . . . . 4.5 0.0 4.5 . . . . . A . 439 ARG H . . A . 418 ARG HB2 . . . 439 . HN . . . . . 418 . HB* . . c16596_2kqe 1 167 2 OR . 1 1 56 56 ARG HB3 H . . . 1 1 77 77 ARG H H . . . . . 4.5 0.0 4.5 . . . . . A . 418 ARG HB3 . . A . 439 ARG H . . . 418 . HB* . . . . . 439 . HN . . c16596_2kqe 1 168 1 OR . 1 1 56 56 ARG HG3 H . . . 1 1 77 77 ARG HB2 H . . . . . 4.1 0.0 4.1 . . . . . A . 418 ARG HG3 . . A . 439 ARG HB2 . . . 418 . HG* . . . . . 439 . HB* . . c16596_2kqe 1 168 2 OR . 1 1 56 56 ARG HG2 H . . . 1 1 77 77 ARG HB2 H . . . . . 4.1 0.0 4.1 . . . . . A . 418 ARG HG2 . . A . 439 ARG HB2 . . . 418 . HG* . . . . . 439 . HB* . . c16596_2kqe 1 168 3 OR . 1 1 77 77 ARG HB3 H . . . 1 1 56 56 ARG HG2 H . . . . . 4.1 0.0 4.1 . . . . . A . 439 ARG HB3 . . A . 418 ARG HG2 . . . 439 . HB* . . . . . 418 . HG* . . c16596_2kqe 1 168 4 OR . 1 1 56 56 ARG HG3 H . . . 1 1 77 77 ARG HB3 H . . . . . 4.1 0.0 4.1 . . . . . A . 418 ARG HG3 . . A . 439 ARG HB3 . . . 418 . HG* . . . . . 439 . HB* . . c16596_2kqe 1 169 1 OR . 1 1 56 56 ARG HG3 H . . . 1 1 77 77 ARG HD2 H . . . . . 4.7 0.0 4.7 . . . . . A . 418 ARG HG3 . . A . 439 ARG HD2 . . . 418 . HG* . . . . . 439 . HD* . . c16596_2kqe 1 169 2 OR . 1 1 56 56 ARG HG2 H . . . 1 1 77 77 ARG HD2 H . . . . . 4.7 0.0 4.7 . . . . . A . 418 ARG HG2 . . A . 439 ARG HD2 . . . 418 . HG* . . . . . 439 . HD* . . c16596_2kqe 1 169 3 OR . 1 1 77 77 ARG HD3 H . . . 1 1 56 56 ARG HG2 H . . . . . 4.7 0.0 4.7 . . . . . A . 439 ARG HD3 . . A . 418 ARG HG2 . . . 439 . HD* . . . . . 418 . HG* . . c16596_2kqe 1 169 4 OR . 1 1 56 56 ARG HG3 H . . . 1 1 77 77 ARG HD3 H . . . . . 4.7 0.0 4.7 . . . . . A . 418 ARG HG3 . . A . 439 ARG HD3 . . . 418 . HG* . . . . . 439 . HD* . . c16596_2kqe 1 170 1 OR . 1 1 77 77 ARG H H . . . 1 1 56 56 ARG HD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 439 ARG H . . A . 418 ARG HD2 . . . 439 . HN . . . . . 418 . HD* . . c16596_2kqe 1 170 2 OR . 1 1 56 56 ARG HD3 H . . . 1 1 77 77 ARG H H . . . . . 5.5 0.0 5.5 . . . . . A . 418 ARG HD3 . . A . 439 ARG H . . . 418 . HD* . . . . . 439 . HN . . c16596_2kqe 1 171 1 OR . 1 1 57 57 PRO HA H . . . 1 1 58 58 GLU HB2 H . . . . . 5.2 0.0 5.2 . . . . . A . 419 PRO HA . . A . 420 GLU HB2 . . . 419 . HA . . . . . 420 . HB* . . c16596_2kqe 1 171 2 OR . 1 1 57 57 PRO HA H . . . 1 1 58 58 GLU HB3 H . . . . . 5.2 0.0 5.2 . . . . . A . 419 PRO HA . . A . 420 GLU HB3 . . . 419 . HA . . . . . 420 . HB* . . c16596_2kqe 1 172 1 OR . 1 1 58 58 GLU H H . . . 1 1 57 57 PRO HB2 H . . . . . 3.8 0.0 3.8 . . . . . A . 420 GLU H . . A . 419 PRO HB2 . . . 420 . HN . . . . . 419 . HB* . . c16596_2kqe 1 172 2 OR . 1 1 57 57 PRO HB3 H . . . 1 1 58 58 GLU H H . . . . . 3.8 0.0 3.8 . . . . . A . 419 PRO HB3 . . A . 420 GLU H . . . 419 . HB* . . . . . 420 . HN . . c16596_2kqe 1 173 1 OR . 1 1 57 57 PRO HB3 H . . . 1 1 58 58 GLU HG2 H . . . . . 4.8 0.0 4.8 . . . . . A . 419 PRO HB3 . . A . 420 GLU HG2 . . . 419 . HB* . . . . . 420 . HG* . . c16596_2kqe 1 173 2 OR . 1 1 57 57 PRO HB2 H . . . 1 1 58 58 GLU HG2 H . . . . . 4.8 0.0 4.8 . . . . . A . 419 PRO HB2 . . A . 420 GLU HG2 . . . 419 . HB* . . . . . 420 . HG* . . c16596_2kqe 1 173 3 OR . 1 1 58 58 GLU HG3 H . . . 1 1 57 57 PRO HB2 H . . . . . 4.8 0.0 4.8 . . . . . A . 420 GLU HG3 . . A . 419 PRO HB2 . . . 420 . HG* . . . . . 419 . HB* . . c16596_2kqe 1 173 4 OR . 1 1 57 57 PRO HB3 H . . . 1 1 58 58 GLU HG3 H . . . . . 4.8 0.0 4.8 . . . . . A . 419 PRO HB3 . . A . 420 GLU HG3 . . . 419 . HB* . . . . . 420 . HG* . . c16596_2kqe 1 174 1 OR . 1 1 58 58 GLU H H . . . 1 1 57 57 PRO HG2 H . . . . . 3.3 0.0 3.3 . . . . . A . 420 GLU H . . A . 419 PRO HG2 . . . 420 . HN . . . . . 419 . HG* . . c16596_2kqe 1 174 2 OR . 1 1 57 57 PRO HG3 H . . . 1 1 58 58 GLU H H . . . . . 3.3 0.0 3.3 . . . . . A . 419 PRO HG3 . . A . 420 GLU H . . . 419 . HG* . . . . . 420 . HN . . c16596_2kqe 1 175 1 OR . 1 1 57 57 PRO HG2 H . . . 1 1 58 58 GLU HG2 H . . . . . 4.6 0.0 4.6 . . . . . A . 419 PRO HG2 . . A . 420 GLU HG2 . . . 419 . HG* . . . . . 420 . HG* . . c16596_2kqe 1 175 2 OR . 1 1 57 57 PRO HG3 H . . . 1 1 58 58 GLU HG2 H . . . . . 4.6 0.0 4.6 . . . . . A . 419 PRO HG3 . . A . 420 GLU HG2 . . . 419 . HG* . . . . . 420 . HG* . . c16596_2kqe 1 175 3 OR . 1 1 58 58 GLU HG3 H . . . 1 1 57 57 PRO HG2 H . . . . . 4.6 0.0 4.6 . . . . . A . 420 GLU HG3 . . A . 419 PRO HG2 . . . 420 . HG* . . . . . 419 . HG* . . c16596_2kqe 1 175 4 OR . 1 1 57 57 PRO HG3 H . . . 1 1 58 58 GLU HG3 H . . . . . 4.6 0.0 4.6 . . . . . A . 419 PRO HG3 . . A . 420 GLU HG3 . . . 419 . HG* . . . . . 420 . HG* . . c16596_2kqe 1 176 1 OR . 1 1 58 58 GLU H H . . . 1 1 57 57 PRO HD2 H . . . . . 5.1 0.0 5.1 . . . . . A . 420 GLU H . . A . 419 PRO HD2 . . . 420 . HN . . . . . 419 . HD* . . c16596_2kqe 1 176 2 OR . 1 1 57 57 PRO HD3 H . . . 1 1 58 58 GLU H H . . . . . 5.1 0.0 5.1 . . . . . A . 419 PRO HD3 . . A . 420 GLU H . . . 419 . HD* . . . . . 420 . HN . . c16596_2kqe 1 177 1 OR . 1 1 75 75 GLU HA H . . . 1 1 57 57 PRO HG2 H . . . . . 4.7 0.0 4.7 . . . . . A . 437 GLU HA . . A . 419 PRO HG2 . . . 437 . HA . . . . . 419 . HG* . . c16596_2kqe 1 177 2 OR . 1 1 57 57 PRO HG3 H . . . 1 1 75 75 GLU HA H . . . . . 4.7 0.0 4.7 . . . . . A . 419 PRO HG3 . . A . 437 GLU HA . . . 419 . HG* . . . . . 437 . HA . . c16596_2kqe 1 178 1 OR . 1 1 75 75 GLU HA H . . . 1 1 57 57 PRO HD2 H . . . . . 5.0 0.0 5.0 . . . . . A . 437 GLU HA . . A . 419 PRO HD2 . . . 437 . HA . . . . . 419 . HD* . . c16596_2kqe 1 178 2 OR . 1 1 57 57 PRO HD3 H . . . 1 1 75 75 GLU HA H . . . . . 5.0 0.0 5.0 . . . . . A . 419 PRO HD3 . . A . 437 GLU HA . . . 419 . HD* . . . . . 437 . HA . . c16596_2kqe 1 179 1 . . 1 1 57 57 PRO HA H . . . 1 1 76 76 TYR QD H . . . . . 5.3 0.0 5.3 . . . . . A . 419 PRO HA . . A . 438 TYR QD . . . 419 . HA . . . . . 438 . HD* . . c16596_2kqe 1 180 1 OR . 1 1 76 76 TYR QD H . . . 1 1 57 57 PRO HB2 H . . . . . 3.7 0.0 3.7 . . . . . A . 438 TYR QD . . A . 419 PRO HB2 . . . 438 . HD* . . . . . 419 . HB* . . c16596_2kqe 1 180 2 OR . 1 1 57 57 PRO HB3 H . . . 1 1 76 76 TYR QD H . . . . . 3.7 0.0 3.7 . . . . . A . 419 PRO HB3 . . A . 438 TYR QD . . . 419 . HB* . . . . . 438 . HD* . . c16596_2kqe 1 181 1 OR . 1 1 76 76 TYR QE H . . . 1 1 57 57 PRO HB2 H . . . . . 4.1 0.0 4.1 . . . . . A . 438 TYR QE . . A . 419 PRO HB2 . . . 438 . HE* . . . . . 419 . HB* . . c16596_2kqe 1 181 2 OR . 1 1 57 57 PRO HB3 H . . . 1 1 76 76 TYR QE H . . . . . 4.1 0.0 4.1 . . . . . A . 419 PRO HB3 . . A . 438 TYR QE . . . 419 . HB* . . . . . 438 . HE* . . c16596_2kqe 1 182 1 OR . 1 1 76 76 TYR HA H . . . 1 1 57 57 PRO HG2 H . . . . . 4.6 0.0 4.6 . . . . . A . 438 TYR HA . . A . 419 PRO HG2 . . . 438 . HA . . . . . 419 . HG* . . c16596_2kqe 1 182 2 OR . 1 1 57 57 PRO HG3 H . . . 1 1 76 76 TYR HA H . . . . . 4.6 0.0 4.6 . . . . . A . 419 PRO HG3 . . A . 438 TYR HA . . . 419 . HG* . . . . . 438 . HA . . c16596_2kqe 1 183 1 OR . 1 1 76 76 TYR QD H . . . 1 1 57 57 PRO HG2 H . . . . . 3.5 0.0 3.5 . . . . . A . 438 TYR QD . . A . 419 PRO HG2 . . . 438 . HD* . . . . . 419 . HG* . . c16596_2kqe 1 183 2 OR . 1 1 57 57 PRO HG3 H . . . 1 1 76 76 TYR QD H . . . . . 3.5 0.0 3.5 . . . . . A . 419 PRO HG3 . . A . 438 TYR QD . . . 419 . HG* . . . . . 438 . HD* . . c16596_2kqe 1 184 1 OR . 1 1 76 76 TYR QE H . . . 1 1 57 57 PRO HG2 H . . . . . 4.3 0.0 4.3 . . . . . A . 438 TYR QE . . A . 419 PRO HG2 . . . 438 . HE* . . . . . 419 . HG* . . c16596_2kqe 1 184 2 OR . 1 1 57 57 PRO HG3 H . . . 1 1 76 76 TYR QE H . . . . . 4.3 0.0 4.3 . . . . . A . 419 PRO HG3 . . A . 438 TYR QE . . . 419 . HG* . . . . . 438 . HE* . . c16596_2kqe 1 185 1 OR . 1 1 76 76 TYR HA H . . . 1 1 57 57 PRO HD2 H . . . . . 4.9 0.0 4.9 . . . . . A . 438 TYR HA . . A . 419 PRO HD2 . . . 438 . HA . . . . . 419 . HD* . . c16596_2kqe 1 185 2 OR . 1 1 57 57 PRO HD3 H . . . 1 1 76 76 TYR HA H . . . . . 4.9 0.0 4.9 . . . . . A . 419 PRO HD3 . . A . 438 TYR HA . . . 419 . HD* . . . . . 438 . HA . . c16596_2kqe 1 186 1 OR . 1 1 57 57 PRO HA H . . . 1 1 77 77 ARG HD2 H . . . . . 5.1 0.0 5.1 . . . . . A . 419 PRO HA . . A . 439 ARG HD2 . . . 419 . HA . . . . . 439 . HD* . . c16596_2kqe 1 186 2 OR . 1 1 57 57 PRO HA H . . . 1 1 77 77 ARG HD3 H . . . . . 5.1 0.0 5.1 . . . . . A . 419 PRO HA . . A . 439 ARG HD3 . . . 419 . HA . . . . . 439 . HD* . . c16596_2kqe 1 187 1 OR . 1 1 77 77 ARG H H . . . 1 1 57 57 PRO HG2 H . . . . . 5.3 0.0 5.3 . . . . . A . 439 ARG H . . A . 419 PRO HG2 . . . 439 . HN . . . . . 419 . HG* . . c16596_2kqe 1 187 2 OR . 1 1 57 57 PRO HG3 H . . . 1 1 77 77 ARG H H . . . . . 5.3 0.0 5.3 . . . . . A . 419 PRO HG3 . . A . 439 ARG H . . . 419 . HG* . . . . . 439 . HN . . c16596_2kqe 1 188 1 OR . 1 1 77 77 ARG H H . . . 1 1 57 57 PRO HD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 439 ARG H . . A . 419 PRO HD2 . . . 439 . HN . . . . . 419 . HD* . . c16596_2kqe 1 188 2 OR . 1 1 57 57 PRO HD3 H . . . 1 1 77 77 ARG H H . . . . . 5.5 0.0 5.5 . . . . . A . 419 PRO HD3 . . A . 439 ARG H . . . 419 . HD* . . . . . 439 . HN . . c16596_2kqe 1 189 1 OR . 1 1 58 58 GLU H H . . . 1 1 58 58 GLU HG2 H . . . . . 4.1 0.0 4.1 . . . . . A . 420 GLU H . . A . 420 GLU HG2 . . . 420 . HN . . . . . 420 . HG* . . c16596_2kqe 1 189 2 OR . 1 1 58 58 GLU H H . . . 1 1 58 58 GLU HG3 H . . . . . 4.1 0.0 4.1 . . . . . A . 420 GLU H . . A . 420 GLU HG3 . . . 420 . HN . . . . . 420 . HG* . . c16596_2kqe 1 190 1 . . 1 1 58 58 GLU H H . . . 1 1 59 59 CYS H H . . . . . 4.9 0.0 4.9 . . . . . A . 420 GLU H . . A . 421 CYS H . . . 420 . HN . . . . . 421 . HN . . c16596_2kqe 1 191 1 . . 1 1 58 58 GLU H H . . . 1 1 59 59 CYS HA H . . . . . 5.4 0.0 5.4 . . . . . A . 420 GLU H . . A . 421 CYS HA . . . 420 . HN . . . . . 421 . HA . . c16596_2kqe 1 192 1 . . 1 1 59 59 CYS H H . . . 1 1 58 58 GLU HA H . . . . . 3.0 0.0 3.0 . . . . . A . 421 CYS H . . A . 420 GLU HA . . . 421 . HN . . . . . 420 . HA . . c16596_2kqe 1 193 1 OR . 1 1 58 58 GLU HA H . . . 1 1 59 59 CYS HB2 H . . . . . 4.5 0.0 4.5 . . . . . A . 420 GLU HA . . A . 421 CYS HB2 . . . 420 . HA . . . . . 421 . HB* . . c16596_2kqe 1 193 2 OR . 1 1 58 58 GLU HA H . . . 1 1 59 59 CYS HB3 H . . . . . 4.5 0.0 4.5 . . . . . A . 420 GLU HA . . A . 421 CYS HB3 . . . 420 . HA . . . . . 421 . HB* . . c16596_2kqe 1 194 1 OR . 1 1 59 59 CYS H H . . . 1 1 58 58 GLU HB2 H . . . . . 4.2 0.0 4.2 . . . . . A . 421 CYS H . . A . 420 GLU HB2 . . . 421 . HN . . . . . 420 . HB* . . c16596_2kqe 1 194 2 OR . 1 1 58 58 GLU HB3 H . . . 1 1 59 59 CYS H H . . . . . 4.2 0.0 4.2 . . . . . A . 420 GLU HB3 . . A . 421 CYS H . . . 420 . HB* . . . . . 421 . HN . . c16596_2kqe 1 195 1 OR . 1 1 59 59 CYS H H . . . 1 1 58 58 GLU HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 421 CYS H . . A . 420 GLU HG2 . . . 421 . HN . . . . . 420 . HG* . . c16596_2kqe 1 195 2 OR . 1 1 58 58 GLU HG3 H . . . 1 1 59 59 CYS H H . . . . . 5.5 0.0 5.5 . . . . . A . 420 GLU HG3 . . A . 421 CYS H . . . 420 . HG* . . . . . 421 . HN . . c16596_2kqe 1 196 1 . . 1 1 58 58 GLU H H . . . 1 1 76 76 TYR QD H . . . . . 5.0 0.0 5.0 . . . . . A . 420 GLU H . . A . 438 TYR QD . . . 420 . HN . . . . . 438 . HD* . . c16596_2kqe 1 197 1 OR . 1 1 58 58 GLU HA H . . . 1 1 76 76 TYR HB2 H . . . . . 5.0 0.0 5.0 . . . . . A . 420 GLU HA . . A . 438 TYR HB2 . . . 420 . HA . . . . . 438 . HB* . . c16596_2kqe 1 197 2 OR . 1 1 58 58 GLU HA H . . . 1 1 76 76 TYR HB3 H . . . . . 5.0 0.0 5.0 . . . . . A . 420 GLU HA . . A . 438 TYR HB3 . . . 420 . HA . . . . . 438 . HB* . . c16596_2kqe 1 198 1 . . 1 1 76 76 TYR QD H . . . 1 1 58 58 GLU HA H . . . . . 5.5 0.0 5.5 . . . . . A . 438 TYR QD . . A . 420 GLU HA . . . 438 . HD* . . . . . 420 . HA . . c16596_2kqe 1 199 1 . . 1 1 77 77 ARG H H . . . 1 1 58 58 GLU H H . . . . . 4.3 0.0 4.3 . . . . . A . 439 ARG H . . A . 420 GLU H . . . 439 . HN . . . . . 420 . HN . . c16596_2kqe 1 200 1 OR . 1 1 58 58 GLU H H . . . 1 1 77 77 ARG HG2 H . . . . . 5.4 0.0 5.4 . . . . . A . 420 GLU H . . A . 439 ARG HG2 . . . 420 . HN . . . . . 439 . HG* . . c16596_2kqe 1 200 2 OR . 1 1 77 77 ARG HG3 H . . . 1 1 58 58 GLU H H . . . . . 5.4 0.0 5.4 . . . . . A . 439 ARG HG3 . . A . 420 GLU H . . . 439 . HG* . . . . . 420 . HN . . c16596_2kqe 1 201 1 OR . 1 1 58 58 GLU H H . . . 1 1 77 77 ARG HD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 420 GLU H . . A . 439 ARG HD2 . . . 420 . HN . . . . . 439 . HD* . . c16596_2kqe 1 201 2 OR . 1 1 77 77 ARG HD3 H . . . 1 1 58 58 GLU H H . . . . . 5.5 0.0 5.5 . . . . . A . 439 ARG HD3 . . A . 420 GLU H . . . 439 . HD* . . . . . 420 . HN . . c16596_2kqe 1 202 1 . . 1 1 77 77 ARG H H . . . 1 1 58 58 GLU HA H . . . . . 3.7 0.0 3.7 . . . . . A . 439 ARG H . . A . 420 GLU HA . . . 439 . HN . . . . . 420 . HA . . c16596_2kqe 1 203 1 OR . 1 1 58 58 GLU HA H . . . 1 1 77 77 ARG HB2 H . . . . . 5.1 0.0 5.1 . . . . . A . 420 GLU HA . . A . 439 ARG HB2 . . . 420 . HA . . . . . 439 . HB* . . c16596_2kqe 1 203 2 OR . 1 1 77 77 ARG HB3 H . . . 1 1 58 58 GLU HA H . . . . . 5.1 0.0 5.1 . . . . . A . 439 ARG HB3 . . A . 420 GLU HA . . . 439 . HB* . . . . . 420 . HA . . c16596_2kqe 1 204 1 OR . 1 1 58 58 GLU HA H . . . 1 1 77 77 ARG HG2 H . . . . . 4.0 0.0 4.0 . . . . . A . 420 GLU HA . . A . 439 ARG HG2 . . . 420 . HA . . . . . 439 . HG* . . c16596_2kqe 1 204 2 OR . 1 1 77 77 ARG HG3 H . . . 1 1 58 58 GLU HA H . . . . . 4.0 0.0 4.0 . . . . . A . 439 ARG HG3 . . A . 420 GLU HA . . . 439 . HG* . . . . . 420 . HA . . c16596_2kqe 1 205 1 OR . 1 1 58 58 GLU HG2 H . . . 1 1 77 77 ARG HG2 H . . . . . 4.9 0.0 4.9 . . . . . A . 420 GLU HG2 . . A . 439 ARG HG2 . . . 420 . HG* . . . . . 439 . HG* . . c16596_2kqe 1 205 2 OR . 1 1 58 58 GLU HG3 H . . . 1 1 77 77 ARG HG2 H . . . . . 4.9 0.0 4.9 . . . . . A . 420 GLU HG3 . . A . 439 ARG HG2 . . . 420 . HG* . . . . . 439 . HG* . . c16596_2kqe 1 205 3 OR . 1 1 77 77 ARG HG3 H . . . 1 1 58 58 GLU HG2 H . . . . . 4.9 0.0 4.9 . . . . . A . 439 ARG HG3 . . A . 420 GLU HG2 . . . 439 . HG* . . . . . 420 . HG* . . c16596_2kqe 1 205 4 OR . 1 1 77 77 ARG HG3 H . . . 1 1 58 58 GLU HG3 H . . . . . 4.9 0.0 4.9 . . . . . A . 439 ARG HG3 . . A . 420 GLU HG3 . . . 439 . HG* . . . . . 420 . HG* . . c16596_2kqe 1 206 1 . . 1 1 58 58 GLU HA H . . . 1 1 78 78 HIS H H . . . . . 5.5 0.0 5.5 . . . . . A . 420 GLU HA . . A . 440 HIS H . . . 420 . HA . . . . . 440 . HN . . c16596_2kqe 1 207 1 OR . 1 1 59 59 CYS H H . . . 1 1 59 59 CYS HB2 H . . . . . 3.4 0.0 3.4 . . . . . A . 421 CYS H . . A . 421 CYS HB2 . . . 421 . HN . . . . . 421 . HB* . . c16596_2kqe 1 207 2 OR . 1 1 59 59 CYS H H . . . 1 1 59 59 CYS HB3 H . . . . . 3.4 0.0 3.4 . . . . . A . 421 CYS H . . A . 421 CYS HB3 . . . 421 . HN . . . . . 421 . HB* . . c16596_2kqe 1 208 1 OR . 1 1 59 59 CYS H H . . . 1 1 60 60 PRO HD2 H . . . . . 5.3 0.0 5.3 . . . . . A . 421 CYS H . . A . 422 PRO HD2 . . . 421 . HN . . . . . 422 . HD* . . c16596_2kqe 1 208 2 OR . 1 1 59 59 CYS H H . . . 1 1 60 60 PRO HD3 H . . . . . 5.3 0.0 5.3 . . . . . A . 421 CYS H . . A . 422 PRO HD3 . . . 421 . HN . . . . . 422 . HD* . . c16596_2kqe 1 209 1 OR . 1 1 59 59 CYS HA H . . . 1 1 60 60 PRO HG2 H . . . . . 4.8 0.0 4.8 . . . . . A . 421 CYS HA . . A . 422 PRO HG2 . . . 421 . HA . . . . . 422 . HG* . . c16596_2kqe 1 209 2 OR . 1 1 59 59 CYS HA H . . . 1 1 60 60 PRO HG3 H . . . . . 4.8 0.0 4.8 . . . . . A . 421 CYS HA . . A . 422 PRO HG3 . . . 421 . HA . . . . . 422 . HG* . . c16596_2kqe 1 210 1 OR . 1 1 59 59 CYS HA H . . . 1 1 60 60 PRO HD2 H . . . . . 3.4 0.0 3.4 . . . . . A . 421 CYS HA . . A . 422 PRO HD2 . . . 421 . HA . . . . . 422 . HD* . . c16596_2kqe 1 210 2 OR . 1 1 59 59 CYS HA H . . . 1 1 60 60 PRO HD3 H . . . . . 3.4 0.0 3.4 . . . . . A . 421 CYS HA . . A . 422 PRO HD3 . . . 421 . HA . . . . . 422 . HD* . . c16596_2kqe 1 211 1 . . 1 1 59 59 CYS HA H . . . 1 1 61 61 TYR H H . . . . . 4.8 0.0 4.8 . . . . . A . 421 CYS HA . . A . 423 TYR H . . . 421 . HA . . . . . 423 . HN . . c16596_2kqe 1 212 1 . . 1 1 59 59 CYS HA H . . . 1 1 61 61 TYR QD H . . . . . 5.5 0.0 5.5 . . . . . A . 421 CYS HA . . A . 423 TYR QD . . . 421 . HA . . . . . 423 . HD* . . c16596_2kqe 1 213 1 OR . 1 1 61 61 TYR H H . . . 1 1 59 59 CYS HB2 H . . . . . 4.9 0.0 4.9 . . . . . A . 423 TYR H . . A . 421 CYS HB2 . . . 423 . HN . . . . . 421 . HB* . . c16596_2kqe 1 213 2 OR . 1 1 59 59 CYS HB3 H . . . 1 1 61 61 TYR H H . . . . . 4.9 0.0 4.9 . . . . . A . 421 CYS HB3 . . A . 423 TYR H . . . 421 . HB* . . . . . 423 . HN . . c16596_2kqe 1 214 1 . . 1 1 59 59 CYS H H . . . 1 1 62 62 GLY H H . . . . . 5.5 0.0 5.5 . . . . . A . 421 CYS H . . A . 424 GLY H . . . 421 . HN . . . . . 424 . HN . . c16596_2kqe 1 215 1 . . 1 1 59 59 CYS HA H . . . 1 1 62 62 GLY H H . . . . . 5.1 0.0 5.1 . . . . . A . 421 CYS HA . . A . 424 GLY H . . . 421 . HA . . . . . 424 . HN . . c16596_2kqe 1 216 1 OR . 1 1 62 62 GLY H H . . . 1 1 59 59 CYS HB2 H . . . . . 4.4 0.0 4.4 . . . . . A . 424 GLY H . . A . 421 CYS HB2 . . . 424 . HN . . . . . 421 . HB* . . c16596_2kqe 1 216 2 OR . 1 1 59 59 CYS HB3 H . . . 1 1 62 62 GLY H H . . . . . 4.4 0.0 4.4 . . . . . A . 421 CYS HB3 . . A . 424 GLY H . . . 421 . HB* . . . . . 424 . HN . . c16596_2kqe 1 217 1 . . 1 1 76 76 TYR H H . . . 1 1 59 59 CYS H H . . . . . 5.5 0.0 5.5 . . . . . A . 438 TYR H . . A . 421 CYS H . . . 438 . HN . . . . . 421 . HN . . c16596_2kqe 1 218 1 OR . 1 1 59 59 CYS H H . . . 1 1 76 76 TYR HB2 H . . . . . 3.3 0.0 3.3 . . . . . A . 421 CYS H . . A . 438 TYR HB2 . . . 421 . HN . . . . . 438 . HB* . . c16596_2kqe 1 218 2 OR . 1 1 59 59 CYS H H . . . 1 1 76 76 TYR HB3 H . . . . . 3.3 0.0 3.3 . . . . . A . 421 CYS H . . A . 438 TYR HB3 . . . 421 . HN . . . . . 438 . HB* . . c16596_2kqe 1 219 1 . . 1 1 76 76 TYR QD H . . . 1 1 59 59 CYS H H . . . . . 4.7 0.0 4.7 . . . . . A . 438 TYR QD . . A . 421 CYS H . . . 438 . HD* . . . . . 421 . HN . . c16596_2kqe 1 220 1 OR . 1 1 59 59 CYS HA H . . . 1 1 76 76 TYR HB2 H . . . . . 3.6 0.0 3.6 . . . . . A . 421 CYS HA . . A . 438 TYR HB2 . . . 421 . HA . . . . . 438 . HB* . . c16596_2kqe 1 220 2 OR . 1 1 59 59 CYS HA H . . . 1 1 76 76 TYR HB3 H . . . . . 3.6 0.0 3.6 . . . . . A . 421 CYS HA . . A . 438 TYR HB3 . . . 421 . HA . . . . . 438 . HB* . . c16596_2kqe 1 221 1 . . 1 1 76 76 TYR QD H . . . 1 1 59 59 CYS HA H . . . . . 3.7 0.0 3.7 . . . . . A . 438 TYR QD . . A . 421 CYS HA . . . 438 . HD* . . . . . 421 . HA . . c16596_2kqe 1 222 1 . . 1 1 76 76 TYR QE H . . . 1 1 59 59 CYS HA H . . . . . 5.1 0.0 5.1 . . . . . A . 438 TYR QE . . A . 421 CYS HA . . . 438 . HE* . . . . . 421 . HA . . c16596_2kqe 1 223 1 OR . 1 1 59 59 CYS HB3 H . . . 1 1 76 76 TYR HB2 H . . . . . 4.4 0.0 4.4 . . . . . A . 421 CYS HB3 . . A . 438 TYR HB2 . . . 421 . HB* . . . . . 438 . HB* . . c16596_2kqe 1 223 2 OR . 1 1 59 59 CYS HB2 H . . . 1 1 76 76 TYR HB2 H . . . . . 4.4 0.0 4.4 . . . . . A . 421 CYS HB2 . . A . 438 TYR HB2 . . . 421 . HB* . . . . . 438 . HB* . . c16596_2kqe 1 223 3 OR . 1 1 76 76 TYR HB3 H . . . 1 1 59 59 CYS HB2 H . . . . . 4.4 0.0 4.4 . . . . . A . 438 TYR HB3 . . A . 421 CYS HB2 . . . 438 . HB* . . . . . 421 . HB* . . c16596_2kqe 1 223 4 OR . 1 1 59 59 CYS HB3 H . . . 1 1 76 76 TYR HB3 H . . . . . 4.4 0.0 4.4 . . . . . A . 421 CYS HB3 . . A . 438 TYR HB3 . . . 421 . HB* . . . . . 438 . HB* . . c16596_2kqe 1 224 1 OR . 1 1 76 76 TYR QD H . . . 1 1 59 59 CYS HB2 H . . . . . 4.5 0.0 4.5 . . . . . A . 438 TYR QD . . A . 421 CYS HB2 . . . 438 . HD* . . . . . 421 . HB* . . c16596_2kqe 1 224 2 OR . 1 1 76 76 TYR QD H . . . 1 1 59 59 CYS HB3 H . . . . . 4.5 0.0 4.5 . . . . . A . 438 TYR QD . . A . 421 CYS HB3 . . . 438 . HD* . . . . . 421 . HB* . . c16596_2kqe 1 225 1 . . 1 1 77 77 ARG H H . . . 1 1 59 59 CYS H H . . . . . 4.6 0.0 4.6 . . . . . A . 439 ARG H . . A . 421 CYS H . . . 439 . HN . . . . . 421 . HN . . c16596_2kqe 1 226 1 . . 1 1 59 59 CYS H H . . . 1 1 77 77 ARG HA H . . . . . 5.5 0.0 5.5 . . . . . A . 421 CYS H . . A . 439 ARG HA . . . 421 . HN . . . . . 439 . HA . . c16596_2kqe 1 227 1 OR . 1 1 59 59 CYS H H . . . 1 1 77 77 ARG HB2 H . . . . . 4.6 0.0 4.6 . . . . . A . 421 CYS H . . A . 439 ARG HB2 . . . 421 . HN . . . . . 439 . HB* . . c16596_2kqe 1 227 2 OR . 1 1 77 77 ARG HB3 H . . . 1 1 59 59 CYS H H . . . . . 4.6 0.0 4.6 . . . . . A . 439 ARG HB3 . . A . 421 CYS H . . . 439 . HB* . . . . . 421 . HN . . c16596_2kqe 1 228 1 OR . 1 1 59 59 CYS H H . . . 1 1 77 77 ARG HG2 H . . . . . 5.4 0.0 5.4 . . . . . A . 421 CYS H . . A . 439 ARG HG2 . . . 421 . HN . . . . . 439 . HG* . . c16596_2kqe 1 228 2 OR . 1 1 77 77 ARG HG3 H . . . 1 1 59 59 CYS H H . . . . . 5.4 0.0 5.4 . . . . . A . 439 ARG HG3 . . A . 421 CYS H . . . 439 . HG* . . . . . 421 . HN . . c16596_2kqe 1 229 1 . . 1 1 77 77 ARG H H . . . 1 1 59 59 CYS HA H . . . . . 5.4 0.0 5.4 . . . . . A . 439 ARG H . . A . 421 CYS HA . . . 439 . HN . . . . . 421 . HA . . c16596_2kqe 1 230 1 OR . 1 1 77 77 ARG H H . . . 1 1 59 59 CYS HB2 H . . . . . 4.3 0.0 4.3 . . . . . A . 439 ARG H . . A . 421 CYS HB2 . . . 439 . HN . . . . . 421 . HB* . . c16596_2kqe 1 230 2 OR . 1 1 77 77 ARG H H . . . 1 1 59 59 CYS HB3 H . . . . . 4.3 0.0 4.3 . . . . . A . 439 ARG H . . A . 421 CYS HB3 . . . 439 . HN . . . . . 421 . HB* . . c16596_2kqe 1 231 1 . . 1 1 59 59 CYS H H . . . 1 1 78 78 HIS H H . . . . . 5.5 0.0 5.5 . . . . . A . 421 CYS H . . A . 440 HIS H . . . 421 . HN . . . . . 440 . HN . . c16596_2kqe 1 232 1 . . 1 1 59 59 CYS H H . . . 1 1 78 78 HIS HA H . . . . . 4.8 0.0 4.8 . . . . . A . 421 CYS H . . A . 440 HIS HA . . . 421 . HN . . . . . 440 . HA . . c16596_2kqe 1 233 1 OR . 1 1 59 59 CYS H H . . . 1 1 78 78 HIS HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 421 CYS H . . A . 440 HIS HB2 . . . 421 . HN . . . . . 440 . HB* . . c16596_2kqe 1 233 2 OR . 1 1 59 59 CYS H H . . . 1 1 78 78 HIS HB3 H . . . . . 5.5 0.0 5.5 . . . . . A . 421 CYS H . . A . 440 HIS HB3 . . . 421 . HN . . . . . 440 . HB* . . c16596_2kqe 1 234 1 . . 1 1 59 59 CYS H H . . . 1 1 78 78 HIS HD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 421 CYS H . . A . 440 HIS HD2 . . . 421 . HN . . . . . 440 . HD2 . . c16596_2kqe 1 235 1 OR . 1 1 78 78 HIS HA H . . . 1 1 59 59 CYS HB2 H . . . . . 4.4 0.0 4.4 . . . . . A . 440 HIS HA . . A . 421 CYS HB2 . . . 440 . HA . . . . . 421 . HB* . . c16596_2kqe 1 235 2 OR . 1 1 59 59 CYS HB3 H . . . 1 1 78 78 HIS HA H . . . . . 4.4 0.0 4.4 . . . . . A . 421 CYS HB3 . . A . 440 HIS HA . . . 421 . HB* . . . . . 440 . HA . . c16596_2kqe 1 236 1 OR . 1 1 59 59 CYS HB3 H . . . 1 1 78 78 HIS HB2 H . . . . . 4.4 0.0 4.4 . . . . . A . 421 CYS HB3 . . A . 440 HIS HB2 . . . 421 . HB* . . . . . 440 . HB* . . c16596_2kqe 1 236 2 OR . 1 1 59 59 CYS HB2 H . . . 1 1 78 78 HIS HB2 H . . . . . 4.4 0.0 4.4 . . . . . A . 421 CYS HB2 . . A . 440 HIS HB2 . . . 421 . HB* . . . . . 440 . HB* . . c16596_2kqe 1 236 3 OR . 1 1 78 78 HIS HB3 H . . . 1 1 59 59 CYS HB2 H . . . . . 4.4 0.0 4.4 . . . . . A . 440 HIS HB3 . . A . 421 CYS HB2 . . . 440 . HB* . . . . . 421 . HB* . . c16596_2kqe 1 236 4 OR . 1 1 59 59 CYS HB3 H . . . 1 1 78 78 HIS HB3 H . . . . . 4.4 0.0 4.4 . . . . . A . 421 CYS HB3 . . A . 440 HIS HB3 . . . 421 . HB* . . . . . 440 . HB* . . c16596_2kqe 1 237 1 OR . 1 1 78 78 HIS HD2 H . . . 1 1 59 59 CYS HB2 H . . . . . 4.5 0.0 4.5 . . . . . A . 440 HIS HD2 . . A . 421 CYS HB2 . . . 440 . HD2 . . . . . 421 . HB* . . c16596_2kqe 1 237 2 OR . 1 1 59 59 CYS HB3 H . . . 1 1 78 78 HIS HD2 H . . . . . 4.5 0.0 4.5 . . . . . A . 421 CYS HB3 . . A . 440 HIS HD2 . . . 421 . HB* . . . . . 440 . HD2 . . c16596_2kqe 1 238 1 OR . 1 1 78 78 HIS HE1 H . . . 1 1 59 59 CYS HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 440 HIS HE1 . . A . 421 CYS HB2 . . . 440 . HE1 . . . . . 421 . HB* . . c16596_2kqe 1 238 2 OR . 1 1 59 59 CYS HB3 H . . . 1 1 78 78 HIS HE1 H . . . . . 5.5 0.0 5.5 . . . . . A . 421 CYS HB3 . . A . 440 HIS HE1 . . . 421 . HB* . . . . . 440 . HE1 . . c16596_2kqe 1 239 1 OR . 1 1 61 61 TYR H H . . . 1 1 60 60 PRO HB2 H . . . . . 4.7 0.0 4.7 . . . . . A . 423 TYR H . . A . 422 PRO HB2 . . . 423 . HN . . . . . 422 . HB* . . c16596_2kqe 1 239 2 OR . 1 1 61 61 TYR H H . . . 1 1 60 60 PRO HB3 H . . . . . 4.7 0.0 4.7 . . . . . A . 423 TYR H . . A . 422 PRO HB3 . . . 423 . HN . . . . . 422 . HB* . . c16596_2kqe 1 240 1 OR . 1 1 61 61 TYR H H . . . 1 1 60 60 PRO HG2 H . . . . . 4.8 0.0 4.8 . . . . . A . 423 TYR H . . A . 422 PRO HG2 . . . 423 . HN . . . . . 422 . HG* . . c16596_2kqe 1 240 2 OR . 1 1 60 60 PRO HG3 H . . . 1 1 61 61 TYR H H . . . . . 4.8 0.0 4.8 . . . . . A . 422 PRO HG3 . . A . 423 TYR H . . . 422 . HG* . . . . . 423 . HN . . c16596_2kqe 1 241 1 OR . 1 1 61 61 TYR QD H . . . 1 1 60 60 PRO HG2 H . . . . . 5.4 0.0 5.4 . . . . . A . 423 TYR QD . . A . 422 PRO HG2 . . . 423 . HD* . . . . . 422 . HG* . . c16596_2kqe 1 241 2 OR . 1 1 60 60 PRO HG3 H . . . 1 1 61 61 TYR QD H . . . . . 5.4 0.0 5.4 . . . . . A . 422 PRO HG3 . . A . 423 TYR QD . . . 422 . HG* . . . . . 423 . HD* . . c16596_2kqe 1 242 1 OR . 1 1 61 61 TYR H H . . . 1 1 60 60 PRO HD2 H . . . . . 4.6 0.0 4.6 . . . . . A . 423 TYR H . . A . 422 PRO HD2 . . . 423 . HN . . . . . 422 . HD* . . c16596_2kqe 1 242 2 OR . 1 1 60 60 PRO HD3 H . . . 1 1 61 61 TYR H H . . . . . 4.6 0.0 4.6 . . . . . A . 422 PRO HD3 . . A . 423 TYR H . . . 422 . HD* . . . . . 423 . HN . . c16596_2kqe 1 243 1 OR . 1 1 61 61 TYR QD H . . . 1 1 60 60 PRO HD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 423 TYR QD . . A . 422 PRO HD2 . . . 423 . HD* . . . . . 422 . HD* . . c16596_2kqe 1 243 2 OR . 1 1 60 60 PRO HD3 H . . . 1 1 61 61 TYR QD H . . . . . 5.5 0.0 5.5 . . . . . A . 422 PRO HD3 . . A . 423 TYR QD . . . 422 . HD* . . . . . 423 . HD* . . c16596_2kqe 1 244 1 OR . 1 1 72 72 HIS HE1 H . . . 1 1 60 60 PRO HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 434 HIS HE1 . . A . 422 PRO HG2 . . . 434 . HE1 . . . . . 422 . HG* . . c16596_2kqe 1 244 2 OR . 1 1 60 60 PRO HG3 H . . . 1 1 72 72 HIS HE1 H . . . . . 5.5 0.0 5.5 . . . . . A . 422 PRO HG3 . . A . 434 HIS HE1 . . . 422 . HG* . . . . . 434 . HE1 . . c16596_2kqe 1 245 1 OR . 1 1 72 72 HIS HE1 H . . . 1 1 60 60 PRO HD2 H . . . . . 5.4 0.0 5.4 . . . . . A . 434 HIS HE1 . . A . 422 PRO HD2 . . . 434 . HE1 . . . . . 422 . HD* . . c16596_2kqe 1 245 2 OR . 1 1 60 60 PRO HD3 H . . . 1 1 72 72 HIS HE1 H . . . . . 5.4 0.0 5.4 . . . . . A . 422 PRO HD3 . . A . 434 HIS HE1 . . . 422 . HD* . . . . . 434 . HE1 . . c16596_2kqe 1 246 1 OR . 1 1 76 76 TYR QE H . . . 1 1 60 60 PRO HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 438 TYR QE . . A . 422 PRO HG2 . . . 438 . HE* . . . . . 422 . HG* . . c16596_2kqe 1 246 2 OR . 1 1 76 76 TYR QE H . . . 1 1 60 60 PRO HG3 H . . . . . 5.5 0.0 5.5 . . . . . A . 438 TYR QE . . A . 422 PRO HG3 . . . 438 . HE* . . . . . 422 . HG* . . c16596_2kqe 1 247 1 OR . 1 1 60 60 PRO HD3 H . . . 1 1 76 76 TYR HB2 H . . . . . 4.9 0.0 4.9 . . . . . A . 422 PRO HD3 . . A . 438 TYR HB2 . . . 422 . HD* . . . . . 438 . HB* . . c16596_2kqe 1 247 2 OR . 1 1 60 60 PRO HD2 H . . . 1 1 76 76 TYR HB2 H . . . . . 4.9 0.0 4.9 . . . . . A . 422 PRO HD2 . . A . 438 TYR HB2 . . . 422 . HD* . . . . . 438 . HB* . . c16596_2kqe 1 247 3 OR . 1 1 76 76 TYR HB3 H . . . 1 1 60 60 PRO HD2 H . . . . . 4.9 0.0 4.9 . . . . . A . 438 TYR HB3 . . A . 422 PRO HD2 . . . 438 . HB* . . . . . 422 . HD* . . c16596_2kqe 1 247 4 OR . 1 1 76 76 TYR HB3 H . . . 1 1 60 60 PRO HD3 H . . . . . 4.9 0.0 4.9 . . . . . A . 438 TYR HB3 . . A . 422 PRO HD3 . . . 438 . HB* . . . . . 422 . HD* . . c16596_2kqe 1 248 1 OR . 1 1 76 76 TYR QD H . . . 1 1 60 60 PRO HD2 H . . . . . 4.6 0.0 4.6 . . . . . A . 438 TYR QD . . A . 422 PRO HD2 . . . 438 . HD* . . . . . 422 . HD* . . c16596_2kqe 1 248 2 OR . 1 1 76 76 TYR QD H . . . 1 1 60 60 PRO HD3 H . . . . . 4.6 0.0 4.6 . . . . . A . 438 TYR QD . . A . 422 PRO HD3 . . . 438 . HD* . . . . . 422 . HD* . . c16596_2kqe 1 249 1 OR . 1 1 76 76 TYR QE H . . . 1 1 60 60 PRO HD2 H . . . . . 4.6 0.0 4.6 . . . . . A . 438 TYR QE . . A . 422 PRO HD2 . . . 438 . HE* . . . . . 422 . HD* . . c16596_2kqe 1 249 2 OR . 1 1 76 76 TYR QE H . . . 1 1 60 60 PRO HD3 H . . . . . 4.6 0.0 4.6 . . . . . A . 438 TYR QE . . A . 422 PRO HD3 . . . 438 . HE* . . . . . 422 . HD* . . c16596_2kqe 1 250 1 OR . 1 1 61 61 TYR H H . . . 1 1 61 61 TYR HB2 H . . . . . 3.6 0.0 3.6 . . . . . A . 423 TYR H . . A . 423 TYR HB2 . . . 423 . HN . . . . . 423 . HB* . . c16596_2kqe 1 250 2 OR . 1 1 61 61 TYR H H . . . 1 1 61 61 TYR HB3 H . . . . . 3.6 0.0 3.6 . . . . . A . 423 TYR H . . A . 423 TYR HB3 . . . 423 . HN . . . . . 423 . HB* . . c16596_2kqe 1 251 1 . . 1 1 61 61 TYR H H . . . 1 1 61 61 TYR QD H . . . . . 3.7 0.0 3.7 . . . . . A . 423 TYR H . . A . 423 TYR QD . . . 423 . HN . . . . . 423 . HD* . . c16596_2kqe 1 252 1 . . 1 1 61 61 TYR H H . . . 1 1 61 61 TYR QE H . . . . . 5.4 0.0 5.4 . . . . . A . 423 TYR H . . A . 423 TYR QE . . . 423 . HN . . . . . 423 . HE* . . c16596_2kqe 1 253 1 OR . 1 1 61 61 TYR HB3 H . . . 1 1 61 61 TYR QE H . . . . . 5.1 0.0 5.1 . . . . . A . 423 TYR HB3 . . A . 423 TYR QE . . . 423 . HB* . . . . . 423 . HE* . . c16596_2kqe 1 253 2 OR . 1 1 61 61 TYR QE H . . . 1 1 61 61 TYR HB2 H . . . . . 5.1 0.0 5.1 . . . . . A . 423 TYR QE . . A . 423 TYR HB2 . . . 423 . HE* . . . . . 423 . HB* . . c16596_2kqe 1 254 1 . . 1 1 61 61 TYR H H . . . 1 1 62 62 GLY H H . . . . . 3.3 0.0 3.3 . . . . . A . 423 TYR H . . A . 424 GLY H . . . 423 . HN . . . . . 424 . HN . . c16596_2kqe 1 255 1 OR . 1 1 61 61 TYR H H . . . 1 1 62 62 GLY HA2 H . . . . . 5.0 0.0 5.0 . . . . . A . 423 TYR H . . A . 424 GLY HA2 . . . 423 . HN . . . . . 424 . HA* . . c16596_2kqe 1 255 2 OR . 1 1 61 61 TYR H H . . . 1 1 62 62 GLY HA3 H . . . . . 5.0 0.0 5.0 . . . . . A . 423 TYR H . . A . 424 GLY HA3 . . . 423 . HN . . . . . 424 . HA* . . c16596_2kqe 1 256 1 OR . 1 1 62 62 GLY H H . . . 1 1 61 61 TYR HB2 H . . . . . 4.5 0.0 4.5 . . . . . A . 424 GLY H . . A . 423 TYR HB2 . . . 424 . HN . . . . . 423 . HB* . . c16596_2kqe 1 256 2 OR . 1 1 62 62 GLY H H . . . 1 1 61 61 TYR HB3 H . . . . . 4.5 0.0 4.5 . . . . . A . 424 GLY H . . A . 423 TYR HB3 . . . 424 . HN . . . . . 423 . HB* . . c16596_2kqe 1 257 1 OR . 1 1 61 61 TYR HB2 H . . . 1 1 62 62 GLY HA2 H . . . . . 5.1 0.0 5.1 . . . . . A . 423 TYR HB2 . . A . 424 GLY HA2 . . . 423 . HB* . . . . . 424 . HA* . . c16596_2kqe 1 257 2 OR . 1 1 61 61 TYR HB3 H . . . 1 1 62 62 GLY HA2 H . . . . . 5.1 0.0 5.1 . . . . . A . 423 TYR HB3 . . A . 424 GLY HA2 . . . 423 . HB* . . . . . 424 . HA* . . c16596_2kqe 1 257 3 OR . 1 1 62 62 GLY HA3 H . . . 1 1 61 61 TYR HB2 H . . . . . 5.1 0.0 5.1 . . . . . A . 424 GLY HA3 . . A . 423 TYR HB2 . . . 424 . HA* . . . . . 423 . HB* . . c16596_2kqe 1 257 4 OR . 1 1 61 61 TYR HB3 H . . . 1 1 62 62 GLY HA3 H . . . . . 5.1 0.0 5.1 . . . . . A . 423 TYR HB3 . . A . 424 GLY HA3 . . . 423 . HB* . . . . . 424 . HA* . . c16596_2kqe 1 258 1 . . 1 1 62 62 GLY H H . . . 1 1 61 61 TYR QD H . . . . . 5.2 0.0 5.2 . . . . . A . 424 GLY H . . A . 423 TYR QD . . . 424 . HN . . . . . 423 . HD* . . c16596_2kqe 1 259 1 OR . 1 1 64 64 SER H H . . . 1 1 61 61 TYR HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 426 SER H . . A . 423 TYR HB2 . . . 426 . HN . . . . . 423 . HB* . . c16596_2kqe 1 259 2 OR . 1 1 61 61 TYR HB3 H . . . 1 1 64 64 SER H H . . . . . 5.5 0.0 5.5 . . . . . A . 423 TYR HB3 . . A . 426 SER H . . . 423 . HB* . . . . . 426 . HN . . c16596_2kqe 1 260 1 . . 1 1 61 61 TYR H H . . . 1 1 65 65 CYS HA H . . . . . 5.3 0.0 5.3 . . . . . A . 423 TYR H . . A . 427 CYS HA . . . 423 . HN . . . . . 427 . HA . . c16596_2kqe 1 261 1 OR . 1 1 61 61 TYR H H . . . 1 1 65 65 CYS HB2 H . . . . . 5.1 0.0 5.1 . . . . . A . 423 TYR H . . A . 427 CYS HB2 . . . 423 . HN . . . . . 427 . HB* . . c16596_2kqe 1 261 2 OR . 1 1 61 61 TYR H H . . . 1 1 65 65 CYS HB3 H . . . . . 5.1 0.0 5.1 . . . . . A . 423 TYR H . . A . 427 CYS HB3 . . . 423 . HN . . . . . 427 . HB* . . c16596_2kqe 1 262 1 OR . 1 1 61 61 TYR HA H . . . 1 1 65 65 CYS HB2 H . . . . . 5.2 0.0 5.2 . . . . . A . 423 TYR HA . . A . 427 CYS HB2 . . . 423 . HA . . . . . 427 . HB* . . c16596_2kqe 1 262 2 OR . 1 1 65 65 CYS HB3 H . . . 1 1 61 61 TYR HA H . . . . . 5.2 0.0 5.2 . . . . . A . 427 CYS HB3 . . A . 423 TYR HA . . . 427 . HB* . . . . . 423 . HA . . c16596_2kqe 1 263 1 OR . 1 1 65 65 CYS HA H . . . 1 1 61 61 TYR HB2 H . . . . . 3.2 0.0 3.2 . . . . . A . 427 CYS HA . . A . 423 TYR HB2 . . . 427 . HA . . . . . 423 . HB* . . c16596_2kqe 1 263 2 OR . 1 1 61 61 TYR HB3 H . . . 1 1 65 65 CYS HA H . . . . . 3.2 0.0 3.2 . . . . . A . 423 TYR HB3 . . A . 427 CYS HA . . . 423 . HB* . . . . . 427 . HA . . c16596_2kqe 1 264 1 OR . 1 1 61 61 TYR HB2 H . . . 1 1 65 65 CYS HB2 H . . . . . 4.1 0.0 4.1 . . . . . A . 423 TYR HB2 . . A . 427 CYS HB2 . . . 423 . HB* . . . . . 427 . HB* . . c16596_2kqe 1 264 2 OR . 1 1 65 65 CYS HB3 H . . . 1 1 61 61 TYR HB2 H . . . . . 4.1 0.0 4.1 . . . . . A . 427 CYS HB3 . . A . 423 TYR HB2 . . . 427 . HB* . . . . . 423 . HB* . . c16596_2kqe 1 264 3 OR . 1 1 61 61 TYR HB3 H . . . 1 1 65 65 CYS HB3 H . . . . . 4.1 0.0 4.1 . . . . . A . 423 TYR HB3 . . A . 427 CYS HB3 . . . 423 . HB* . . . . . 427 . HB* . . c16596_2kqe 1 264 4 OR . 1 1 61 61 TYR HB3 H . . . 1 1 65 65 CYS HB2 H . . . . . 4.1 0.0 4.1 . . . . . A . 423 TYR HB3 . . A . 427 CYS HB2 . . . 423 . HB* . . . . . 427 . HB* . . c16596_2kqe 1 265 1 OR . 1 1 65 65 CYS HB3 H . . . 1 1 61 61 TYR QD H . . . . . 4.8 0.0 4.8 . . . . . A . 427 CYS HB3 . . A . 423 TYR QD . . . 427 . HB* . . . . . 423 . HD* . . c16596_2kqe 1 265 2 OR . 1 1 61 61 TYR QD H . . . 1 1 65 65 CYS HB2 H . . . . . 4.8 0.0 4.8 . . . . . A . 423 TYR QD . . A . 427 CYS HB2 . . . 423 . HD* . . . . . 427 . HB* . . c16596_2kqe 1 266 1 OR . 1 1 61 61 TYR H H . . . 1 1 67 67 ARG HD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 423 TYR H . . A . 429 ARG HD2 . . . 423 . HN . . . . . 429 . HD* . . c16596_2kqe 1 266 2 OR . 1 1 61 61 TYR H H . . . 1 1 67 67 ARG HD3 H . . . . . 5.5 0.0 5.5 . . . . . A . 423 TYR H . . A . 429 ARG HD3 . . . 423 . HN . . . . . 429 . HD* . . c16596_2kqe 1 267 1 OR . 1 1 61 61 TYR HB3 H . . . 1 1 67 67 ARG HD2 H . . . . . 4.5 0.0 4.5 . . . . . A . 423 TYR HB3 . . A . 429 ARG HD2 . . . 423 . HB* . . . . . 429 . HD* . . c16596_2kqe 1 267 2 OR . 1 1 61 61 TYR HB2 H . . . 1 1 67 67 ARG HD2 H . . . . . 4.5 0.0 4.5 . . . . . A . 423 TYR HB2 . . A . 429 ARG HD2 . . . 423 . HB* . . . . . 429 . HD* . . c16596_2kqe 1 267 3 OR . 1 1 67 67 ARG HD3 H . . . 1 1 61 61 TYR HB2 H . . . . . 4.5 0.0 4.5 . . . . . A . 429 ARG HD3 . . A . 423 TYR HB2 . . . 429 . HD* . . . . . 423 . HB* . . c16596_2kqe 1 267 4 OR . 1 1 61 61 TYR HB3 H . . . 1 1 67 67 ARG HD3 H . . . . . 4.5 0.0 4.5 . . . . . A . 423 TYR HB3 . . A . 429 ARG HD3 . . . 423 . HB* . . . . . 429 . HD* . . c16596_2kqe 1 268 1 OR . 1 1 67 67 ARG HG3 H . . . 1 1 61 61 TYR QE H . . . . . 5.5 0.0 5.5 . . . . . A . 429 ARG HG3 . . A . 423 TYR QE . . . 429 . HG* . . . . . 423 . HE* . . c16596_2kqe 1 268 2 OR . 1 1 61 61 TYR QE H . . . 1 1 67 67 ARG HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 423 TYR QE . . A . 429 ARG HG2 . . . 423 . HE* . . . . . 429 . HG* . . c16596_2kqe 1 269 1 OR . 1 1 67 67 ARG HD3 H . . . 1 1 61 61 TYR QE H . . . . . 5.5 0.0 5.5 . . . . . A . 429 ARG HD3 . . A . 423 TYR QE . . . 429 . HD* . . . . . 423 . HE* . . c16596_2kqe 1 269 2 OR . 1 1 61 61 TYR QE H . . . 1 1 67 67 ARG HD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 423 TYR QE . . A . 429 ARG HD2 . . . 423 . HE* . . . . . 429 . HD* . . c16596_2kqe 1 270 1 . . 1 1 61 61 TYR H H . . . 1 1 72 72 HIS HE1 H . . . . . 4.5 0.0 4.5 . . . . . A . 423 TYR H . . A . 434 HIS HE1 . . . 423 . HN . . . . . 434 . HE1 . . c16596_2kqe 1 271 1 . . 1 1 72 72 HIS HD2 H . . . 1 1 61 61 TYR QD H . . . . . 4.8 0.0 4.8 . . . . . A . 434 HIS HD2 . . A . 423 TYR QD . . . 434 . HD2 . . . . . 423 . HD* . . c16596_2kqe 1 272 1 . . 1 1 72 72 HIS HE1 H . . . 1 1 61 61 TYR QD H . . . . . 5.0 0.0 5.0 . . . . . A . 434 HIS HE1 . . A . 423 TYR QD . . . 434 . HE1 . . . . . 423 . HD* . . c16596_2kqe 1 273 1 . . 1 1 72 72 HIS HE1 H . . . 1 1 61 61 TYR QE H . . . . . 5.2 0.0 5.2 . . . . . A . 434 HIS HE1 . . A . 423 TYR QE . . . 434 . HE1 . . . . . 423 . HE* . . c16596_2kqe 1 274 1 . . 1 1 61 61 TYR H H . . . 1 1 78 78 HIS HD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 423 TYR H . . A . 440 HIS HD2 . . . 423 . HN . . . . . 440 . HD2 . . c16596_2kqe 1 275 1 . . 1 1 78 78 HIS HD2 H . . . 1 1 61 61 TYR QD H . . . . . 4.7 0.0 4.7 . . . . . A . 440 HIS HD2 . . A . 423 TYR QD . . . 440 . HD2 . . . . . 423 . HD* . . c16596_2kqe 1 276 1 OR . 1 1 62 62 GLY H H . . . 1 1 63 63 PRO HD2 H . . . . . 5.0 0.0 5.0 . . . . . A . 424 GLY H . . A . 425 PRO HD2 . . . 424 . HN . . . . . 425 . HD* . . c16596_2kqe 1 276 2 OR . 1 1 62 62 GLY H H . . . 1 1 63 63 PRO HD3 H . . . . . 5.0 0.0 5.0 . . . . . A . 424 GLY H . . A . 425 PRO HD3 . . . 424 . HN . . . . . 425 . HD* . . c16596_2kqe 1 277 1 OR . 1 1 62 62 GLY HA2 H . . . 1 1 63 63 PRO HG2 H . . . . . 4.6 0.0 4.6 . . . . . A . 424 GLY HA2 . . A . 425 PRO HG2 . . . 424 . HA* . . . . . 425 . HG* . . c16596_2kqe 1 277 2 OR . 1 1 62 62 GLY HA3 H . . . 1 1 63 63 PRO HG2 H . . . . . 4.6 0.0 4.6 . . . . . A . 424 GLY HA3 . . A . 425 PRO HG2 . . . 424 . HA* . . . . . 425 . HG* . . c16596_2kqe 1 277 3 OR . 1 1 63 63 PRO HG3 H . . . 1 1 62 62 GLY HA2 H . . . . . 4.6 0.0 4.6 . . . . . A . 425 PRO HG3 . . A . 424 GLY HA2 . . . 425 . HG* . . . . . 424 . HA* . . c16596_2kqe 1 277 4 OR . 1 1 62 62 GLY HA3 H . . . 1 1 63 63 PRO HG3 H . . . . . 4.6 0.0 4.6 . . . . . A . 424 GLY HA3 . . A . 425 PRO HG3 . . . 424 . HA* . . . . . 425 . HG* . . c16596_2kqe 1 278 1 OR . 1 1 62 62 GLY HA2 H . . . 1 1 63 63 PRO HD2 H . . . . . 3.4 0.0 3.4 . . . . . A . 424 GLY HA2 . . A . 425 PRO HD2 . . . 424 . HA* . . . . . 425 . HD* . . c16596_2kqe 1 278 2 OR . 1 1 62 62 GLY HA3 H . . . 1 1 63 63 PRO HD2 H . . . . . 3.4 0.0 3.4 . . . . . A . 424 GLY HA3 . . A . 425 PRO HD2 . . . 424 . HA* . . . . . 425 . HD* . . c16596_2kqe 1 278 3 OR . 1 1 63 63 PRO HD3 H . . . 1 1 62 62 GLY HA2 H . . . . . 3.4 0.0 3.4 . . . . . A . 425 PRO HD3 . . A . 424 GLY HA2 . . . 425 . HD* . . . . . 424 . HA* . . c16596_2kqe 1 278 4 OR . 1 1 62 62 GLY HA3 H . . . 1 1 63 63 PRO HD3 H . . . . . 3.4 0.0 3.4 . . . . . A . 424 GLY HA3 . . A . 425 PRO HD3 . . . 424 . HA* . . . . . 425 . HD* . . c16596_2kqe 1 279 1 OR . 1 1 64 64 SER H H . . . 1 1 62 62 GLY HA2 H . . . . . 4.7 0.0 4.7 . . . . . A . 426 SER H . . A . 424 GLY HA2 . . . 426 . HN . . . . . 424 . HA* . . c16596_2kqe 1 279 2 OR . 1 1 62 62 GLY HA3 H . . . 1 1 64 64 SER H H . . . . . 4.7 0.0 4.7 . . . . . A . 424 GLY HA3 . . A . 426 SER H . . . 424 . HA* . . . . . 426 . HN . . c16596_2kqe 1 280 1 . . 1 1 62 62 GLY H H . . . 1 1 65 65 CYS HA H . . . . . 5.1 0.0 5.1 . . . . . A . 424 GLY H . . A . 427 CYS HA . . . 424 . HN . . . . . 427 . HA . . c16596_2kqe 1 281 1 OR . 1 1 62 62 GLY H H . . . 1 1 65 65 CYS HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 424 GLY H . . A . 427 CYS HB2 . . . 424 . HN . . . . . 427 . HB* . . c16596_2kqe 1 281 2 OR . 1 1 62 62 GLY H H . . . 1 1 65 65 CYS HB3 H . . . . . 5.5 0.0 5.5 . . . . . A . 424 GLY H . . A . 427 CYS HB3 . . . 424 . HN . . . . . 427 . HB* . . c16596_2kqe 1 282 1 . . 1 1 62 62 GLY H H . . . 1 1 78 78 HIS HD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 424 GLY H . . A . 440 HIS HD2 . . . 424 . HN . . . . . 440 . HD2 . . c16596_2kqe 1 283 1 OR . 1 1 64 64 SER H H . . . 1 1 63 63 PRO HG2 H . . . . . 3.8 0.0 3.8 . . . . . A . 426 SER H . . A . 425 PRO HG2 . . . 426 . HN . . . . . 425 . HG* . . c16596_2kqe 1 283 2 OR . 1 1 64 64 SER H H . . . 1 1 63 63 PRO HG3 H . . . . . 3.8 0.0 3.8 . . . . . A . 426 SER H . . A . 425 PRO HG3 . . . 426 . HN . . . . . 425 . HG* . . c16596_2kqe 1 284 1 OR . 1 1 64 64 SER HA H . . . 1 1 63 63 PRO HG2 H . . . . . 5.1 0.0 5.1 . . . . . A . 426 SER HA . . A . 425 PRO HG2 . . . 426 . HA . . . . . 425 . HG* . . c16596_2kqe 1 284 2 OR . 1 1 63 63 PRO HG3 H . . . 1 1 64 64 SER HA H . . . . . 5.1 0.0 5.1 . . . . . A . 425 PRO HG3 . . A . 426 SER HA . . . 425 . HG* . . . . . 426 . HA . . c16596_2kqe 1 285 1 OR . 1 1 64 64 SER H H . . . 1 1 63 63 PRO HD2 H . . . . . 4.6 0.0 4.6 . . . . . A . 426 SER H . . A . 425 PRO HD2 . . . 426 . HN . . . . . 425 . HD* . . c16596_2kqe 1 285 2 OR . 1 1 64 64 SER H H . . . 1 1 63 63 PRO HD3 H . . . . . 4.6 0.0 4.6 . . . . . A . 426 SER H . . A . 425 PRO HD3 . . . 426 . HN . . . . . 425 . HD* . . c16596_2kqe 1 286 1 OR . 1 1 63 63 PRO HA H . . . 1 1 65 65 CYS HB2 H . . . . . 4.8 0.0 4.8 . . . . . A . 425 PRO HA . . A . 427 CYS HB2 . . . 425 . HA . . . . . 427 . HB* . . c16596_2kqe 1 286 2 OR . 1 1 65 65 CYS HB3 H . . . 1 1 63 63 PRO HA H . . . . . 4.8 0.0 4.8 . . . . . A . 427 CYS HB3 . . A . 425 PRO HA . . . 427 . HB* . . . . . 425 . HA . . c16596_2kqe 1 287 1 OR . 1 1 65 65 CYS H H . . . 1 1 63 63 PRO HB2 H . . . . . 5.2 0.0 5.2 . . . . . A . 427 CYS H . . A . 425 PRO HB2 . . . 427 . HN . . . . . 425 . HB* . . c16596_2kqe 1 287 2 OR . 1 1 63 63 PRO HB3 H . . . 1 1 65 65 CYS H H . . . . . 5.2 0.0 5.2 . . . . . A . 425 PRO HB3 . . A . 427 CYS H . . . 425 . HB* . . . . . 427 . HN . . c16596_2kqe 1 288 1 OR . 1 1 65 65 CYS H H . . . 1 1 63 63 PRO HG2 H . . . . . 5.3 0.0 5.3 . . . . . A . 427 CYS H . . A . 425 PRO HG2 . . . 427 . HN . . . . . 425 . HG* . . c16596_2kqe 1 288 2 OR . 1 1 63 63 PRO HG3 H . . . 1 1 65 65 CYS H H . . . . . 5.3 0.0 5.3 . . . . . A . 425 PRO HG3 . . A . 427 CYS H . . . 425 . HG* . . . . . 427 . HN . . c16596_2kqe 1 289 1 OR . 1 1 64 64 SER H H . . . 1 1 64 64 SER HB2 H . . . . . 3.4 0.0 3.4 . . . . . A . 426 SER H . . A . 426 SER HB2 . . . 426 . HN . . . . . 426 . HB* . . c16596_2kqe 1 289 2 OR . 1 1 64 64 SER H H . . . 1 1 64 64 SER HB3 H . . . . . 3.4 0.0 3.4 . . . . . A . 426 SER H . . A . 426 SER HB3 . . . 426 . HN . . . . . 426 . HB* . . c16596_2kqe 1 290 1 OR . 1 1 64 64 SER HA H . . . 1 1 64 64 SER HB2 H . . . . . 3.0 0.0 3.0 . . . . . A . 426 SER HA . . A . 426 SER HB2 . . . 426 . HA . . . . . 426 . HB* . . c16596_2kqe 1 290 2 OR . 1 1 64 64 SER HA H . . . 1 1 64 64 SER HB3 H . . . . . 3.0 0.0 3.0 . . . . . A . 426 SER HA . . A . 426 SER HB3 . . . 426 . HA . . . . . 426 . HB* . . c16596_2kqe 1 291 1 . . 1 1 64 64 SER H H . . . 1 1 65 65 CYS H H . . . . . 3.2 0.0 3.2 . . . . . A . 426 SER H . . A . 427 CYS H . . . 426 . HN . . . . . 427 . HN . . c16596_2kqe 1 292 1 OR . 1 1 64 64 SER H H . . . 1 1 65 65 CYS HB2 H . . . . . 5.2 0.0 5.2 . . . . . A . 426 SER H . . A . 427 CYS HB2 . . . 426 . HN . . . . . 427 . HB* . . c16596_2kqe 1 292 2 OR . 1 1 64 64 SER H H . . . 1 1 65 65 CYS HB3 H . . . . . 5.2 0.0 5.2 . . . . . A . 426 SER H . . A . 427 CYS HB3 . . . 426 . HN . . . . . 427 . HB* . . c16596_2kqe 1 293 1 . . 1 1 64 64 SER HA H . . . 1 1 65 65 CYS H H . . . . . 3.5 0.0 3.5 . . . . . A . 426 SER HA . . A . 427 CYS H . . . 426 . HA . . . . . 427 . HN . . c16596_2kqe 1 294 1 OR . 1 1 65 65 CYS H H . . . 1 1 64 64 SER HB2 H . . . . . 4.3 0.0 4.3 . . . . . A . 427 CYS H . . A . 426 SER HB2 . . . 427 . HN . . . . . 426 . HB* . . c16596_2kqe 1 294 2 OR . 1 1 65 65 CYS H H . . . 1 1 64 64 SER HB3 H . . . . . 4.3 0.0 4.3 . . . . . A . 427 CYS H . . A . 426 SER HB3 . . . 427 . HN . . . . . 426 . HB* . . c16596_2kqe 1 295 1 . . 1 1 64 64 SER HA H . . . 1 1 66 66 TYR H H . . . . . 5.5 0.0 5.5 . . . . . A . 426 SER HA . . A . 428 TYR H . . . 426 . HA . . . . . 428 . HN . . c16596_2kqe 1 296 1 OR . 1 1 65 65 CYS H H . . . 1 1 65 65 CYS HB2 H . . . . . 3.2 0.0 3.2 . . . . . A . 427 CYS H . . A . 427 CYS HB2 . . . 427 . HN . . . . . 427 . HB* . . c16596_2kqe 1 296 2 OR . 1 1 65 65 CYS HB3 H . . . 1 1 65 65 CYS H H . . . . . 3.2 0.0 3.2 . . . . . A . 427 CYS HB3 . . A . 427 CYS H . . . 427 . HB* . . . . . 427 . HN . . c16596_2kqe 1 297 1 . . 1 1 65 65 CYS H H . . . 1 1 66 66 TYR H H . . . . . 4.1 0.0 4.1 . . . . . A . 427 CYS H . . A . 428 TYR H . . . 427 . HN . . . . . 428 . HN . . c16596_2kqe 1 298 1 OR . 1 1 66 66 TYR H H . . . 1 1 65 65 CYS HB2 H . . . . . 5.2 0.0 5.2 . . . . . A . 428 TYR H . . A . 427 CYS HB2 . . . 428 . HN . . . . . 427 . HB* . . c16596_2kqe 1 298 2 OR . 1 1 65 65 CYS HB3 H . . . 1 1 66 66 TYR H H . . . . . 5.2 0.0 5.2 . . . . . A . 427 CYS HB3 . . A . 428 TYR H . . . 427 . HB* . . . . . 428 . HN . . c16596_2kqe 1 299 1 . . 1 1 65 65 CYS HA H . . . 1 1 67 67 ARG H H . . . . . 4.1 0.0 4.1 . . . . . A . 427 CYS HA . . A . 429 ARG H . . . 427 . HA . . . . . 429 . HN . . c16596_2kqe 1 300 1 . . 1 1 78 78 HIS HD2 H . . . 1 1 65 65 CYS HA H . . . . . 4.8 0.0 4.8 . . . . . A . 440 HIS HD2 . . A . 427 CYS HA . . . 440 . HD2 . . . . . 427 . HA . . c16596_2kqe 1 301 1 OR . 1 1 65 65 CYS HB2 H . . . 1 1 78 78 HIS HB2 H . . . . . 4.3 0.0 4.3 . . . . . A . 427 CYS HB2 . . A . 440 HIS HB2 . . . 427 . HB* . . . . . 440 . HB* . . c16596_2kqe 1 301 2 OR . 1 1 65 65 CYS HB3 H . . . 1 1 78 78 HIS HB2 H . . . . . 4.3 0.0 4.3 . . . . . A . 427 CYS HB3 . . A . 440 HIS HB2 . . . 427 . HB* . . . . . 440 . HB* . . c16596_2kqe 1 301 3 OR . 1 1 78 78 HIS HB3 H . . . 1 1 65 65 CYS HB2 H . . . . . 4.3 0.0 4.3 . . . . . A . 440 HIS HB3 . . A . 427 CYS HB2 . . . 440 . HB* . . . . . 427 . HB* . . c16596_2kqe 1 301 4 OR . 1 1 78 78 HIS HB3 H . . . 1 1 65 65 CYS HB3 H . . . . . 4.3 0.0 4.3 . . . . . A . 440 HIS HB3 . . A . 427 CYS HB3 . . . 440 . HB* . . . . . 427 . HB* . . c16596_2kqe 1 302 1 OR . 1 1 78 78 HIS HD2 H . . . 1 1 65 65 CYS HB2 H . . . . . 3.8 0.0 3.8 . . . . . A . 440 HIS HD2 . . A . 427 CYS HB2 . . . 440 . HD2 . . . . . 427 . HB* . . c16596_2kqe 1 302 2 OR . 1 1 78 78 HIS HD2 H . . . 1 1 65 65 CYS HB3 H . . . . . 3.8 0.0 3.8 . . . . . A . 440 HIS HD2 . . A . 427 CYS HB3 . . . 440 . HD2 . . . . . 427 . HB* . . c16596_2kqe 1 303 1 OR . 1 1 66 66 TYR H H . . . 1 1 66 66 TYR HB2 H . . . . . 4.1 0.0 4.1 . . . . . A . 428 TYR H . . A . 428 TYR HB2 . . . 428 . HN . . . . . 428 . HB* . . c16596_2kqe 1 303 2 OR . 1 1 66 66 TYR H H . . . 1 1 66 66 TYR HB3 H . . . . . 4.1 0.0 4.1 . . . . . A . 428 TYR H . . A . 428 TYR HB3 . . . 428 . HN . . . . . 428 . HB* . . c16596_2kqe 1 304 1 . . 1 1 66 66 TYR H H . . . 1 1 66 66 TYR QD H . . . . . 4.2 0.0 4.2 . . . . . A . 428 TYR H . . A . 428 TYR QD . . . 428 . HN . . . . . 428 . HD* . . c16596_2kqe 1 305 1 . . 1 1 66 66 TYR H H . . . 1 1 66 66 TYR QE H . . . . . 5.5 0.0 5.5 . . . . . A . 428 TYR H . . A . 428 TYR QE . . . 428 . HN . . . . . 428 . HE* . . c16596_2kqe 1 306 1 . . 1 1 66 66 TYR HA H . . . 1 1 66 66 TYR QD H . . . . . 4.7 0.0 4.7 . . . . . A . 428 TYR HA . . A . 428 TYR QD . . . 428 . HA . . . . . 428 . HD* . . c16596_2kqe 1 307 1 OR . 1 1 66 66 TYR HB3 H . . . 1 1 66 66 TYR QD H . . . . . 3.7 0.0 3.7 . . . . . A . 428 TYR HB3 . . A . 428 TYR QD . . . 428 . HB* . . . . . 428 . HD* . . c16596_2kqe 1 307 2 OR . 1 1 66 66 TYR QD H . . . 1 1 66 66 TYR HB2 H . . . . . 3.7 0.0 3.7 . . . . . A . 428 TYR QD . . A . 428 TYR HB2 . . . 428 . HD* . . . . . 428 . HB* . . c16596_2kqe 1 308 1 OR . 1 1 66 66 TYR HB3 H . . . 1 1 66 66 TYR QE H . . . . . 5.5 0.0 5.5 . . . . . A . 428 TYR HB3 . . A . 428 TYR QE . . . 428 . HB* . . . . . 428 . HE* . . c16596_2kqe 1 308 2 OR . 1 1 66 66 TYR QE H . . . 1 1 66 66 TYR HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 428 TYR QE . . A . 428 TYR HB2 . . . 428 . HE* . . . . . 428 . HB* . . c16596_2kqe 1 309 1 . . 1 1 66 66 TYR H H . . . 1 1 67 67 ARG H H . . . . . 3.6 0.0 3.6 . . . . . A . 428 TYR H . . A . 429 ARG H . . . 428 . HN . . . . . 429 . HN . . c16596_2kqe 1 310 1 . . 1 1 66 66 TYR H H . . . 1 1 67 67 ARG HA H . . . . . 5.5 0.0 5.5 . . . . . A . 428 TYR H . . A . 429 ARG HA . . . 428 . HN . . . . . 429 . HA . . c16596_2kqe 1 311 1 OR . 1 1 66 66 TYR H H . . . 1 1 67 67 ARG HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 428 TYR H . . A . 429 ARG HB2 . . . 428 . HN . . . . . 429 . HB* . . c16596_2kqe 1 311 2 OR . 1 1 66 66 TYR H H . . . 1 1 67 67 ARG HB3 H . . . . . 5.5 0.0 5.5 . . . . . A . 428 TYR H . . A . 429 ARG HB3 . . . 428 . HN . . . . . 429 . HB* . . c16596_2kqe 1 312 1 OR . 1 1 66 66 TYR H H . . . 1 1 67 67 ARG HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 428 TYR H . . A . 429 ARG HG2 . . . 428 . HN . . . . . 429 . HG* . . c16596_2kqe 1 312 2 OR . 1 1 67 67 ARG HG3 H . . . 1 1 66 66 TYR H H . . . . . 5.5 0.0 5.5 . . . . . A . 429 ARG HG3 . . A . 428 TYR H . . . 429 . HG* . . . . . 428 . HN . . c16596_2kqe 1 313 1 OR . 1 1 67 67 ARG H H . . . 1 1 66 66 TYR HB2 H . . . . . 4.9 0.0 4.9 . . . . . A . 429 ARG H . . A . 428 TYR HB2 . . . 429 . HN . . . . . 428 . HB* . . c16596_2kqe 1 313 2 OR . 1 1 67 67 ARG H H . . . 1 1 66 66 TYR HB3 H . . . . . 4.9 0.0 4.9 . . . . . A . 429 ARG H . . A . 428 TYR HB3 . . . 429 . HN . . . . . 428 . HB* . . c16596_2kqe 1 314 1 . . 1 1 67 67 ARG H H . . . 1 1 66 66 TYR QD H . . . . . 5.5 0.0 5.5 . . . . . A . 429 ARG H . . A . 428 TYR QD . . . 429 . HN . . . . . 428 . HD* . . c16596_2kqe 1 315 1 OR . 1 1 67 67 ARG HG3 H . . . 1 1 66 66 TYR QD H . . . . . 5.5 0.0 5.5 . . . . . A . 429 ARG HG3 . . A . 428 TYR QD . . . 429 . HG* . . . . . 428 . HD* . . c16596_2kqe 1 315 2 OR . 1 1 66 66 TYR QD H . . . 1 1 67 67 ARG HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 428 TYR QD . . A . 429 ARG HG2 . . . 428 . HD* . . . . . 429 . HG* . . c16596_2kqe 1 316 1 OR . 1 1 67 67 ARG H H . . . 1 1 67 67 ARG HB2 H . . . . . 4.2 0.0 4.2 . . . . . A . 429 ARG H . . A . 429 ARG HB2 . . . 429 . HN . . . . . 429 . HB* . . c16596_2kqe 1 316 2 OR . 1 1 67 67 ARG H H . . . 1 1 67 67 ARG HB3 H . . . . . 4.2 0.0 4.2 . . . . . A . 429 ARG H . . A . 429 ARG HB3 . . . 429 . HN . . . . . 429 . HB* . . c16596_2kqe 1 317 1 OR . 1 1 67 67 ARG H H . . . 1 1 67 67 ARG HG2 H . . . . . 3.7 0.0 3.7 . . . . . A . 429 ARG H . . A . 429 ARG HG2 . . . 429 . HN . . . . . 429 . HG* . . c16596_2kqe 1 317 2 OR . 1 1 67 67 ARG HG3 H . . . 1 1 67 67 ARG H H . . . . . 3.7 0.0 3.7 . . . . . A . 429 ARG HG3 . . A . 429 ARG H . . . 429 . HG* . . . . . 429 . HN . . c16596_2kqe 1 318 1 OR . 1 1 67 67 ARG H H . . . 1 1 67 67 ARG HD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 429 ARG H . . A . 429 ARG HD2 . . . 429 . HN . . . . . 429 . HD* . . c16596_2kqe 1 318 2 OR . 1 1 67 67 ARG HD3 H . . . 1 1 67 67 ARG H H . . . . . 5.5 0.0 5.5 . . . . . A . 429 ARG HD3 . . A . 429 ARG H . . . 429 . HD* . . . . . 429 . HN . . c16596_2kqe 1 319 1 OR . 1 1 67 67 ARG HA H . . . 1 1 67 67 ARG HD2 H . . . . . 5.2 0.0 5.2 . . . . . A . 429 ARG HA . . A . 429 ARG HD2 . . . 429 . HA . . . . . 429 . HD* . . c16596_2kqe 1 319 2 OR . 1 1 67 67 ARG HD3 H . . . 1 1 67 67 ARG HA H . . . . . 5.2 0.0 5.2 . . . . . A . 429 ARG HD3 . . A . 429 ARG HA . . . 429 . HD* . . . . . 429 . HA . . c16596_2kqe 1 320 1 . . 1 1 72 72 HIS HD2 H . . . 1 1 67 67 ARG H H . . . . . 5.5 0.0 5.5 . . . . . A . 434 HIS HD2 . . A . 429 ARG H . . . 434 . HD2 . . . . . 429 . HN . . c16596_2kqe 1 321 1 OR . 1 1 72 72 HIS HD2 H . . . 1 1 67 67 ARG HB2 H . . . . . 4.6 0.0 4.6 . . . . . A . 434 HIS HD2 . . A . 429 ARG HB2 . . . 434 . HD2 . . . . . 429 . HB* . . c16596_2kqe 1 321 2 OR . 1 1 72 72 HIS HD2 H . . . 1 1 67 67 ARG HB3 H . . . . . 4.6 0.0 4.6 . . . . . A . 434 HIS HD2 . . A . 429 ARG HB3 . . . 434 . HD2 . . . . . 429 . HB* . . c16596_2kqe 1 322 1 OR . 1 1 72 72 HIS HD2 H . . . 1 1 67 67 ARG HG2 H . . . . . 5.2 0.0 5.2 . . . . . A . 434 HIS HD2 . . A . 429 ARG HG2 . . . 434 . HD2 . . . . . 429 . HG* . . c16596_2kqe 1 322 2 OR . 1 1 67 67 ARG HG3 H . . . 1 1 72 72 HIS HD2 H . . . . . 5.2 0.0 5.2 . . . . . A . 429 ARG HG3 . . A . 434 HIS HD2 . . . 429 . HG* . . . . . 434 . HD2 . . c16596_2kqe 1 323 1 OR . 1 1 72 72 HIS HE1 H . . . 1 1 67 67 ARG HD2 H . . . . . 5.4 0.0 5.4 . . . . . A . 434 HIS HE1 . . A . 429 ARG HD2 . . . 434 . HE1 . . . . . 429 . HD* . . c16596_2kqe 1 323 2 OR . 1 1 72 72 HIS HE1 H . . . 1 1 67 67 ARG HD3 H . . . . . 5.4 0.0 5.4 . . . . . A . 434 HIS HE1 . . A . 429 ARG HD3 . . . 434 . HE1 . . . . . 429 . HD* . . c16596_2kqe 1 324 1 OR . 1 1 71 71 GLN H H . . . 1 1 70 70 PRO HB2 H . . . . . 4.1 0.0 4.1 . . . . . A . 433 GLN H . . A . 432 PRO HB2 . . . 433 . HN . . . . . 432 . HB* . . c16596_2kqe 1 324 2 OR . 1 1 70 70 PRO HB3 H . . . 1 1 71 71 GLN H H . . . . . 4.1 0.0 4.1 . . . . . A . 432 PRO HB3 . . A . 433 GLN H . . . 432 . HB* . . . . . 433 . HN . . c16596_2kqe 1 325 1 OR . 1 1 71 71 GLN H H . . . 1 1 70 70 PRO HG2 H . . . . . 3.6 0.0 3.6 . . . . . A . 433 GLN H . . A . 432 PRO HG2 . . . 433 . HN . . . . . 432 . HG* . . c16596_2kqe 1 325 2 OR . 1 1 71 71 GLN H H . . . 1 1 70 70 PRO HG3 H . . . . . 3.6 0.0 3.6 . . . . . A . 433 GLN H . . A . 432 PRO HG3 . . . 433 . HN . . . . . 432 . HG* . . c16596_2kqe 1 326 1 OR . 1 1 71 71 GLN H H . . . 1 1 70 70 PRO HD2 H . . . . . 3.7 0.0 3.7 . . . . . A . 433 GLN H . . A . 432 PRO HD2 . . . 433 . HN . . . . . 432 . HD* . . c16596_2kqe 1 326 2 OR . 1 1 71 71 GLN H H . . . 1 1 70 70 PRO HD3 H . . . . . 3.7 0.0 3.7 . . . . . A . 433 GLN H . . A . 432 PRO HD3 . . . 433 . HN . . . . . 432 . HD* . . c16596_2kqe 1 327 1 OR . 1 1 70 70 PRO HD2 H . . . 1 1 71 71 GLN HG2 H . . . . . 3.5 0.0 3.5 . . . . . A . 432 PRO HD2 . . A . 433 GLN HG2 . . . 432 . HD* . . . . . 433 . HG* . . c16596_2kqe 1 327 2 OR . 1 1 70 70 PRO HD3 H . . . 1 1 71 71 GLN HG2 H . . . . . 3.5 0.0 3.5 . . . . . A . 432 PRO HD3 . . A . 433 GLN HG2 . . . 432 . HD* . . . . . 433 . HG* . . c16596_2kqe 1 327 3 OR . 1 1 71 71 GLN HG3 H . . . 1 1 70 70 PRO HD2 H . . . . . 3.5 0.0 3.5 . . . . . A . 433 GLN HG3 . . A . 432 PRO HD2 . . . 433 . HG* . . . . . 432 . HD* . . c16596_2kqe 1 327 4 OR . 1 1 70 70 PRO HD3 H . . . 1 1 71 71 GLN HG3 H . . . . . 3.5 0.0 3.5 . . . . . A . 432 PRO HD3 . . A . 433 GLN HG3 . . . 432 . HD* . . . . . 433 . HG* . . c16596_2kqe 1 328 1 . . 1 1 70 70 PRO HA H . . . 1 1 72 72 HIS H H . . . . . 5.5 0.0 5.5 . . . . . A . 432 PRO HA . . A . 434 HIS H . . . 432 . HA . . . . . 434 . HN . . c16596_2kqe 1 329 1 OR . 1 1 72 72 HIS H H . . . 1 1 70 70 PRO HD2 H . . . . . 5.1 0.0 5.1 . . . . . A . 434 HIS H . . A . 432 PRO HD2 . . . 434 . HN . . . . . 432 . HD* . . c16596_2kqe 1 329 2 OR . 1 1 70 70 PRO HD3 H . . . 1 1 72 72 HIS H H . . . . . 5.1 0.0 5.1 . . . . . A . 432 PRO HD3 . . A . 434 HIS H . . . 432 . HD* . . . . . 434 . HN . . c16596_2kqe 1 330 1 . . 1 1 70 70 PRO HA H . . . 1 1 73 73 LYS H H . . . . . 4.3 0.0 4.3 . . . . . A . 432 PRO HA . . A . 435 LYS H . . . 432 . HA . . . . . 435 . HN . . c16596_2kqe 1 331 1 OR . 1 1 70 70 PRO HA H . . . 1 1 73 73 LYS HB2 H . . . . . 4.3 0.0 4.3 . . . . . A . 432 PRO HA . . A . 435 LYS HB2 . . . 432 . HA . . . . . 435 . HB* . . c16596_2kqe 1 331 2 OR . 1 1 70 70 PRO HA H . . . 1 1 73 73 LYS HB3 H . . . . . 4.3 0.0 4.3 . . . . . A . 432 PRO HA . . A . 435 LYS HB3 . . . 432 . HA . . . . . 435 . HB* . . c16596_2kqe 1 332 1 OR . 1 1 70 70 PRO HA H . . . 1 1 73 73 LYS HD2 H . . . . . 4.1 0.0 4.1 . . . . . A . 432 PRO HA . . A . 435 LYS HD2 . . . 432 . HA . . . . . 435 . HD* . . c16596_2kqe 1 332 2 OR . 1 1 70 70 PRO HA H . . . 1 1 73 73 LYS HD3 H . . . . . 4.1 0.0 4.1 . . . . . A . 432 PRO HA . . A . 435 LYS HD3 . . . 432 . HA . . . . . 435 . HD* . . c16596_2kqe 1 333 1 . . 1 1 70 70 PRO HA H . . . 1 1 74 74 ILE H H . . . . . 5.5 0.0 5.5 . . . . . A . 432 PRO HA . . A . 436 ILE H . . . 432 . HA . . . . . 436 . HN . . c16596_2kqe 1 334 1 OR . 1 1 71 71 GLN H H . . . 1 1 71 71 GLN HB2 H . . . . . 3.4 0.0 3.4 . . . . . A . 433 GLN H . . A . 433 GLN HB2 . . . 433 . HN . . . . . 433 . HB* . . c16596_2kqe 1 334 2 OR . 1 1 71 71 GLN H H . . . 1 1 71 71 GLN HB3 H . . . . . 3.4 0.0 3.4 . . . . . A . 433 GLN H . . A . 433 GLN HB3 . . . 433 . HN . . . . . 433 . HB* . . c16596_2kqe 1 335 1 OR . 1 1 71 71 GLN H H . . . 1 1 71 71 GLN HG2 H . . . . . 3.7 0.0 3.7 . . . . . A . 433 GLN H . . A . 433 GLN HG2 . . . 433 . HN . . . . . 433 . HG* . . c16596_2kqe 1 335 2 OR . 1 1 71 71 GLN H H . . . 1 1 71 71 GLN HG3 H . . . . . 3.7 0.0 3.7 . . . . . A . 433 GLN H . . A . 433 GLN HG3 . . . 433 . HN . . . . . 433 . HG* . . c16596_2kqe 1 336 1 . . 1 1 71 71 GLN H H . . . 1 1 71 71 GLN HE22 H . . . . . 5.5 0.0 5.5 . . . . . A . 433 GLN H . . A . 433 GLN HE22 . . . 433 . HN . . . . . 433 . HE22 . . c16596_2kqe 1 337 1 OR . 1 1 71 71 GLN HA H . . . 1 1 71 71 GLN HG2 H . . . . . 3.6 0.0 3.6 . . . . . A . 433 GLN HA . . A . 433 GLN HG2 . . . 433 . HA . . . . . 433 . HG* . . c16596_2kqe 1 337 2 OR . 1 1 71 71 GLN HG3 H . . . 1 1 71 71 GLN HA H . . . . . 3.6 0.0 3.6 . . . . . A . 433 GLN HG3 . . A . 433 GLN HA . . . 433 . HG* . . . . . 433 . HA . . c16596_2kqe 1 338 1 . . 1 1 71 71 GLN HA H . . . 1 1 71 71 GLN HE21 H . . . . . 5.4 0.0 5.4 . . . . . A . 433 GLN HA . . A . 433 GLN HE21 . . . 433 . HA . . . . . 433 . HE21 . . c16596_2kqe 1 339 1 OR . 1 1 71 71 GLN HB3 H . . . 1 1 71 71 GLN HG2 H . . . . . 3.0 0.0 3.0 . . . . . A . 433 GLN HB3 . . A . 433 GLN HG2 . . . 433 . HB* . . . . . 433 . HG* . . c16596_2kqe 1 339 2 OR . 1 1 71 71 GLN HB2 H . . . 1 1 71 71 GLN HG2 H . . . . . 3.0 0.0 3.0 . . . . . A . 433 GLN HB2 . . A . 433 GLN HG2 . . . 433 . HB* . . . . . 433 . HG* . . c16596_2kqe 1 339 3 OR . 1 1 71 71 GLN HG3 H . . . 1 1 71 71 GLN HB2 H . . . . . 3.0 0.0 3.0 . . . . . A . 433 GLN HG3 . . A . 433 GLN HB2 . . . 433 . HG* . . . . . 433 . HB* . . c16596_2kqe 1 339 4 OR . 1 1 71 71 GLN HG3 H . . . 1 1 71 71 GLN HB3 H . . . . . 3.0 0.0 3.0 . . . . . A . 433 GLN HG3 . . A . 433 GLN HB3 . . . 433 . HG* . . . . . 433 . HB* . . c16596_2kqe 1 340 1 OR . 1 1 71 71 GLN HE21 H . . . 1 1 71 71 GLN HB2 H . . . . . 5.4 0.0 5.4 . . . . . A . 433 GLN HE21 . . A . 433 GLN HB2 . . . 433 . HE21 . . . . . 433 . HB* . . c16596_2kqe 1 340 2 OR . 1 1 71 71 GLN HB3 H . . . 1 1 71 71 GLN HE21 H . . . . . 5.4 0.0 5.4 . . . . . A . 433 GLN HB3 . . A . 433 GLN HE21 . . . 433 . HB* . . . . . 433 . HE21 . . c16596_2kqe 1 341 1 OR . 1 1 71 71 GLN HE22 H . . . 1 1 71 71 GLN HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 433 GLN HE22 . . A . 433 GLN HB2 . . . 433 . HE22 . . . . . 433 . HB* . . c16596_2kqe 1 341 2 OR . 1 1 71 71 GLN HB3 H . . . 1 1 71 71 GLN HE22 H . . . . . 5.5 0.0 5.5 . . . . . A . 433 GLN HB3 . . A . 433 GLN HE22 . . . 433 . HB* . . . . . 433 . HE22 . . c16596_2kqe 1 342 1 OR . 1 1 71 71 GLN HE21 H . . . 1 1 71 71 GLN HG2 H . . . . . 3.6 0.0 3.6 . . . . . A . 433 GLN HE21 . . A . 433 GLN HG2 . . . 433 . HE21 . . . . . 433 . HG* . . c16596_2kqe 1 342 2 OR . 1 1 71 71 GLN HG3 H . . . 1 1 71 71 GLN HE21 H . . . . . 3.6 0.0 3.6 . . . . . A . 433 GLN HG3 . . A . 433 GLN HE21 . . . 433 . HG* . . . . . 433 . HE21 . . c16596_2kqe 1 343 1 OR . 1 1 71 71 GLN HE22 H . . . 1 1 71 71 GLN HG2 H . . . . . 4.1 0.0 4.1 . . . . . A . 433 GLN HE22 . . A . 433 GLN HG2 . . . 433 . HE22 . . . . . 433 . HG* . . c16596_2kqe 1 343 2 OR . 1 1 71 71 GLN HG3 H . . . 1 1 71 71 GLN HE22 H . . . . . 4.1 0.0 4.1 . . . . . A . 433 GLN HG3 . . A . 433 GLN HE22 . . . 433 . HG* . . . . . 433 . HE22 . . c16596_2kqe 1 344 1 . . 1 1 71 71 GLN H H . . . 1 1 72 72 HIS H H . . . . . 3.5 0.0 3.5 . . . . . A . 433 GLN H . . A . 434 HIS H . . . 433 . HN . . . . . 434 . HN . . c16596_2kqe 1 345 1 . . 1 1 71 71 GLN H H . . . 1 1 72 72 HIS HA H . . . . . 5.5 0.0 5.5 . . . . . A . 433 GLN H . . A . 434 HIS HA . . . 433 . HN . . . . . 434 . HA . . c16596_2kqe 1 346 1 OR . 1 1 71 71 GLN H H . . . 1 1 72 72 HIS HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 433 GLN H . . A . 434 HIS HB2 . . . 433 . HN . . . . . 434 . HB* . . c16596_2kqe 1 346 2 OR . 1 1 71 71 GLN H H . . . 1 1 72 72 HIS HB3 H . . . . . 5.5 0.0 5.5 . . . . . A . 433 GLN H . . A . 434 HIS HB3 . . . 433 . HN . . . . . 434 . HB* . . c16596_2kqe 1 347 1 OR . 1 1 72 72 HIS H H . . . 1 1 71 71 GLN HB2 H . . . . . 4.3 0.0 4.3 . . . . . A . 434 HIS H . . A . 433 GLN HB2 . . . 434 . HN . . . . . 433 . HB* . . c16596_2kqe 1 347 2 OR . 1 1 72 72 HIS H H . . . 1 1 71 71 GLN HB3 H . . . . . 4.3 0.0 4.3 . . . . . A . 434 HIS H . . A . 433 GLN HB3 . . . 434 . HN . . . . . 433 . HB* . . c16596_2kqe 1 348 1 OR . 1 1 72 72 HIS H H . . . 1 1 71 71 GLN HG2 H . . . . . 4.8 0.0 4.8 . . . . . A . 434 HIS H . . A . 433 GLN HG2 . . . 434 . HN . . . . . 433 . HG* . . c16596_2kqe 1 348 2 OR . 1 1 71 71 GLN HG3 H . . . 1 1 72 72 HIS H H . . . . . 4.8 0.0 4.8 . . . . . A . 433 GLN HG3 . . A . 434 HIS H . . . 433 . HG* . . . . . 434 . HN . . c16596_2kqe 1 349 1 OR . 1 1 72 72 HIS HA H . . . 1 1 71 71 GLN HG2 H . . . . . 5.1 0.0 5.1 . . . . . A . 434 HIS HA . . A . 433 GLN HG2 . . . 434 . HA . . . . . 433 . HG* . . c16596_2kqe 1 349 2 OR . 1 1 71 71 GLN HG3 H . . . 1 1 72 72 HIS HA H . . . . . 5.1 0.0 5.1 . . . . . A . 433 GLN HG3 . . A . 434 HIS HA . . . 433 . HG* . . . . . 434 . HA . . c16596_2kqe 1 350 1 . . 1 1 72 72 HIS H H . . . 1 1 71 71 GLN HE21 H . . . . . 5.5 0.0 5.5 . . . . . A . 434 HIS H . . A . 433 GLN HE21 . . . 434 . HN . . . . . 433 . HE21 . . c16596_2kqe 1 351 1 . . 1 1 71 71 GLN HE22 H . . . 1 1 72 72 HIS HA H . . . . . 4.3 0.0 4.3 . . . . . A . 433 GLN HE22 . . A . 434 HIS HA . . . 433 . HE22 . . . . . 434 . HA . . c16596_2kqe 1 352 1 . . 1 1 71 71 GLN H H . . . 1 1 73 73 LYS H H . . . . . 4.7 0.0 4.7 . . . . . A . 433 GLN H . . A . 435 LYS H . . . 433 . HN . . . . . 435 . HN . . c16596_2kqe 1 353 1 . . 1 1 73 73 LYS H H . . . 1 1 71 71 GLN HA H . . . . . 4.7 0.0 4.7 . . . . . A . 435 LYS H . . A . 433 GLN HA . . . 435 . HN . . . . . 433 . HA . . c16596_2kqe 1 354 1 OR . 1 1 73 73 LYS H H . . . 1 1 71 71 GLN HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 435 LYS H . . A . 433 GLN HG2 . . . 435 . HN . . . . . 433 . HG* . . c16596_2kqe 1 354 2 OR . 1 1 71 71 GLN HG3 H . . . 1 1 73 73 LYS H H . . . . . 5.5 0.0 5.5 . . . . . A . 433 GLN HG3 . . A . 435 LYS H . . . 433 . HG* . . . . . 435 . HN . . c16596_2kqe 1 355 1 . . 1 1 71 71 GLN H H . . . 1 1 74 74 ILE MD H . . . . . 5.5 0.0 5.5 . . . . . A . 433 GLN H . . A . 436 ILE MD . . . 433 . HN . . . . . 436 . HD1* . . c16596_2kqe 1 356 1 . . 1 1 74 74 ILE H H . . . 1 1 71 71 GLN HA H . . . . . 4.0 0.0 4.0 . . . . . A . 436 ILE H . . A . 433 GLN HA . . . 436 . HN . . . . . 433 . HA . . c16596_2kqe 1 357 1 . . 1 1 71 71 GLN HA H . . . 1 1 74 74 ILE MD H . . . . . 3.2 0.0 3.2 . . . . . A . 433 GLN HA . . A . 436 ILE MD . . . 433 . HA . . . . . 436 . HD1* . . c16596_2kqe 1 358 1 OR . 1 1 74 74 ILE MG H . . . 1 1 71 71 GLN HB2 H . . . . . 4.6 0.0 4.6 . . . . . A . 436 ILE MG . . A . 433 GLN HB2 . . . 436 . HG2* . . . . . 433 . HB* . . c16596_2kqe 1 358 2 OR . 1 1 71 71 GLN HB3 H . . . 1 1 74 74 ILE MG H . . . . . 4.6 0.0 4.6 . . . . . A . 433 GLN HB3 . . A . 436 ILE MG . . . 433 . HB* . . . . . 436 . HG2* . . c16596_2kqe 1 359 1 OR . 1 1 74 74 ILE MD H . . . 1 1 71 71 GLN HB2 H . . . . . 4.7 0.0 4.7 . . . . . A . 436 ILE MD . . A . 433 GLN HB2 . . . 436 . HD1* . . . . . 433 . HB* . . c16596_2kqe 1 359 2 OR . 1 1 71 71 GLN HB3 H . . . 1 1 74 74 ILE MD H . . . . . 4.7 0.0 4.7 . . . . . A . 433 GLN HB3 . . A . 436 ILE MD . . . 433 . HB* . . . . . 436 . HD1* . . c16596_2kqe 1 360 1 OR . 1 1 74 74 ILE H H . . . 1 1 71 71 GLN HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 436 ILE H . . A . 433 GLN HG2 . . . 436 . HN . . . . . 433 . HG* . . c16596_2kqe 1 360 2 OR . 1 1 71 71 GLN HG3 H . . . 1 1 74 74 ILE H H . . . . . 5.5 0.0 5.5 . . . . . A . 433 GLN HG3 . . A . 436 ILE H . . . 433 . HG* . . . . . 436 . HN . . c16596_2kqe 1 361 1 OR . 1 1 74 74 ILE MG H . . . 1 1 71 71 GLN HG2 H . . . . . 5.1 0.0 5.1 . . . . . A . 436 ILE MG . . A . 433 GLN HG2 . . . 436 . HG2* . . . . . 433 . HG* . . c16596_2kqe 1 361 2 OR . 1 1 71 71 GLN HG3 H . . . 1 1 74 74 ILE MG H . . . . . 5.1 0.0 5.1 . . . . . A . 433 GLN HG3 . . A . 436 ILE MG . . . 433 . HG* . . . . . 436 . HG2* . . c16596_2kqe 1 362 1 OR . 1 1 74 74 ILE MD H . . . 1 1 71 71 GLN HG2 H . . . . . 5.1 0.0 5.1 . . . . . A . 436 ILE MD . . A . 433 GLN HG2 . . . 436 . HD1* . . . . . 433 . HG* . . c16596_2kqe 1 362 2 OR . 1 1 71 71 GLN HG3 H . . . 1 1 74 74 ILE MD H . . . . . 5.1 0.0 5.1 . . . . . A . 433 GLN HG3 . . A . 436 ILE MD . . . 433 . HG* . . . . . 436 . HD1* . . c16596_2kqe 1 363 1 . . 1 1 71 71 GLN HE21 H . . . 1 1 74 74 ILE MG H . . . . . 5.5 0.0 5.5 . . . . . A . 433 GLN HE21 . . A . 436 ILE MG . . . 433 . HE21 . . . . . 436 . HG2* . . c16596_2kqe 1 364 1 . . 1 1 71 71 GLN HE22 H . . . 1 1 74 74 ILE MG H . . . . . 4.7 0.0 4.7 . . . . . A . 433 GLN HE22 . . A . 436 ILE MG . . . 433 . HE22 . . . . . 436 . HG2* . . c16596_2kqe 1 365 1 . . 1 1 71 71 GLN HE21 H . . . 1 1 74 74 ILE MD H . . . . . 5.5 0.0 5.5 . . . . . A . 433 GLN HE21 . . A . 436 ILE MD . . . 433 . HE21 . . . . . 436 . HD1* . . c16596_2kqe 1 366 1 . . 1 1 71 71 GLN HE22 H . . . 1 1 74 74 ILE MD H . . . . . 5.5 0.0 5.5 . . . . . A . 433 GLN HE22 . . A . 436 ILE MD . . . 433 . HE22 . . . . . 436 . HD1* . . c16596_2kqe 1 367 1 . . 1 1 71 71 GLN HA H . . . 1 1 75 75 GLU H H . . . . . 4.9 0.0 4.9 . . . . . A . 433 GLN HA . . A . 437 GLU H . . . 433 . HA . . . . . 437 . HN . . c16596_2kqe 1 368 1 OR . 1 1 71 71 GLN HA H . . . 1 1 75 75 GLU HG2 H . . . . . 4.5 0.0 4.5 . . . . . A . 433 GLN HA . . A . 437 GLU HG2 . . . 433 . HA . . . . . 437 . HG* . . c16596_2kqe 1 368 2 OR . 1 1 71 71 GLN HA H . . . 1 1 75 75 GLU HG3 H . . . . . 4.5 0.0 4.5 . . . . . A . 433 GLN HA . . A . 437 GLU HG3 . . . 433 . HA . . . . . 437 . HG* . . c16596_2kqe 1 369 1 OR . 1 1 71 71 GLN HB2 H . . . 1 1 75 75 GLU HB2 H . . . . . 4.1 0.0 4.1 . . . . . A . 433 GLN HB2 . . A . 437 GLU HB2 . . . 433 . HB* . . . . . 437 . HB* . . c16596_2kqe 1 369 2 OR . 1 1 71 71 GLN HB3 H . . . 1 1 75 75 GLU HB2 H . . . . . 4.1 0.0 4.1 . . . . . A . 433 GLN HB3 . . A . 437 GLU HB2 . . . 433 . HB* . . . . . 437 . HB* . . c16596_2kqe 1 369 3 OR . 1 1 75 75 GLU HB3 H . . . 1 1 71 71 GLN HB2 H . . . . . 4.1 0.0 4.1 . . . . . A . 437 GLU HB3 . . A . 433 GLN HB2 . . . 437 . HB* . . . . . 433 . HB* . . c16596_2kqe 1 369 4 OR . 1 1 71 71 GLN HB3 H . . . 1 1 75 75 GLU HB3 H . . . . . 4.1 0.0 4.1 . . . . . A . 433 GLN HB3 . . A . 437 GLU HB3 . . . 433 . HB* . . . . . 437 . HB* . . c16596_2kqe 1 370 1 OR . 1 1 71 71 GLN HB2 H . . . 1 1 75 75 GLU HG2 H . . . . . 3.7 0.0 3.7 . . . . . A . 433 GLN HB2 . . A . 437 GLU HG2 . . . 433 . HB* . . . . . 437 . HG* . . c16596_2kqe 1 370 2 OR . 1 1 71 71 GLN HB3 H . . . 1 1 75 75 GLU HG2 H . . . . . 3.7 0.0 3.7 . . . . . A . 433 GLN HB3 . . A . 437 GLU HG2 . . . 433 . HB* . . . . . 437 . HG* . . c16596_2kqe 1 370 3 OR . 1 1 75 75 GLU HG3 H . . . 1 1 71 71 GLN HB2 H . . . . . 3.7 0.0 3.7 . . . . . A . 437 GLU HG3 . . A . 433 GLN HB2 . . . 437 . HG* . . . . . 433 . HB* . . c16596_2kqe 1 370 4 OR . 1 1 71 71 GLN HB3 H . . . 1 1 75 75 GLU HG3 H . . . . . 3.7 0.0 3.7 . . . . . A . 433 GLN HB3 . . A . 437 GLU HG3 . . . 433 . HB* . . . . . 437 . HG* . . c16596_2kqe 1 371 1 OR . 1 1 75 75 GLU H H . . . 1 1 71 71 GLN HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 437 GLU H . . A . 433 GLN HG2 . . . 437 . HN . . . . . 433 . HG* . . c16596_2kqe 1 371 2 OR . 1 1 71 71 GLN HG3 H . . . 1 1 75 75 GLU H H . . . . . 5.5 0.0 5.5 . . . . . A . 433 GLN HG3 . . A . 437 GLU H . . . 433 . HG* . . . . . 437 . HN . . c16596_2kqe 1 372 1 . . 1 1 71 71 GLN HE22 H . . . 1 1 75 75 GLU H H . . . . . 5.1 0.0 5.1 . . . . . A . 433 GLN HE22 . . A . 437 GLU H . . . 433 . HE22 . . . . . 437 . HN . . c16596_2kqe 1 373 1 OR . 1 1 71 71 GLN HE22 H . . . 1 1 75 75 GLU HB2 H . . . . . 4.1 0.0 4.1 . . . . . A . 433 GLN HE22 . . A . 437 GLU HB2 . . . 433 . HE22 . . . . . 437 . HB* . . c16596_2kqe 1 373 2 OR . 1 1 71 71 GLN HE22 H . . . 1 1 75 75 GLU HB3 H . . . . . 4.1 0.0 4.1 . . . . . A . 433 GLN HE22 . . A . 437 GLU HB3 . . . 433 . HE22 . . . . . 437 . HB* . . c16596_2kqe 1 374 1 OR . 1 1 71 71 GLN HE21 H . . . 1 1 75 75 GLU HG2 H . . . . . 4.7 0.0 4.7 . . . . . A . 433 GLN HE21 . . A . 437 GLU HG2 . . . 433 . HE21 . . . . . 437 . HG* . . c16596_2kqe 1 374 2 OR . 1 1 71 71 GLN HE21 H . . . 1 1 75 75 GLU HG3 H . . . . . 4.7 0.0 4.7 . . . . . A . 433 GLN HE21 . . A . 437 GLU HG3 . . . 433 . HE21 . . . . . 437 . HG* . . c16596_2kqe 1 375 1 OR . 1 1 71 71 GLN HE22 H . . . 1 1 75 75 GLU HG2 H . . . . . 5.0 0.0 5.0 . . . . . A . 433 GLN HE22 . . A . 437 GLU HG2 . . . 433 . HE22 . . . . . 437 . HG* . . c16596_2kqe 1 375 2 OR . 1 1 71 71 GLN HE22 H . . . 1 1 75 75 GLU HG3 H . . . . . 5.0 0.0 5.0 . . . . . A . 433 GLN HE22 . . A . 437 GLU HG3 . . . 433 . HE22 . . . . . 437 . HG* . . c16596_2kqe 1 376 1 OR . 1 1 72 72 HIS H H . . . 1 1 72 72 HIS HB2 H . . . . . 3.4 0.0 3.4 . . . . . A . 434 HIS H . . A . 434 HIS HB2 . . . 434 . HN . . . . . 434 . HB* . . c16596_2kqe 1 376 2 OR . 1 1 72 72 HIS H H . . . 1 1 72 72 HIS HB3 H . . . . . 3.4 0.0 3.4 . . . . . A . 434 HIS H . . A . 434 HIS HB3 . . . 434 . HN . . . . . 434 . HB* . . c16596_2kqe 1 377 1 . . 1 1 72 72 HIS HD2 H . . . 1 1 72 72 HIS H H . . . . . 5.5 0.0 5.5 . . . . . A . 434 HIS HD2 . . A . 434 HIS H . . . 434 . HD2 . . . . . 434 . HN . . c16596_2kqe 1 378 1 . . 1 1 72 72 HIS H H . . . 1 1 73 73 LYS H H . . . . . 3.6 0.0 3.6 . . . . . A . 434 HIS H . . A . 435 LYS H . . . 434 . HN . . . . . 435 . HN . . c16596_2kqe 1 379 1 OR . 1 1 72 72 HIS H H . . . 1 1 73 73 LYS HB2 H . . . . . 5.3 0.0 5.3 . . . . . A . 434 HIS H . . A . 435 LYS HB2 . . . 434 . HN . . . . . 435 . HB* . . c16596_2kqe 1 379 2 OR . 1 1 72 72 HIS H H . . . 1 1 73 73 LYS HB3 H . . . . . 5.3 0.0 5.3 . . . . . A . 434 HIS H . . A . 435 LYS HB3 . . . 434 . HN . . . . . 435 . HB* . . c16596_2kqe 1 380 1 OR . 1 1 72 72 HIS H H . . . 1 1 73 73 LYS HD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 434 HIS H . . A . 435 LYS HD2 . . . 434 . HN . . . . . 435 . HD* . . c16596_2kqe 1 380 2 OR . 1 1 72 72 HIS H H . . . 1 1 73 73 LYS HD3 H . . . . . 5.5 0.0 5.5 . . . . . A . 434 HIS H . . A . 435 LYS HD3 . . . 434 . HN . . . . . 435 . HD* . . c16596_2kqe 1 381 1 OR . 1 1 72 72 HIS H H . . . 1 1 73 73 LYS HE2 H . . . . . 5.5 0.0 5.5 . . . . . A . 434 HIS H . . A . 435 LYS HE2 . . . 434 . HN . . . . . 435 . HE* . . c16596_2kqe 1 381 2 OR . 1 1 72 72 HIS H H . . . 1 1 73 73 LYS HE3 H . . . . . 5.5 0.0 5.5 . . . . . A . 434 HIS H . . A . 435 LYS HE3 . . . 434 . HN . . . . . 435 . HE* . . c16596_2kqe 1 382 1 OR . 1 1 73 73 LYS H H . . . 1 1 72 72 HIS HB2 H . . . . . 3.9 0.0 3.9 . . . . . A . 435 LYS H . . A . 434 HIS HB2 . . . 435 . HN . . . . . 434 . HB* . . c16596_2kqe 1 382 2 OR . 1 1 73 73 LYS H H . . . 1 1 72 72 HIS HB3 H . . . . . 3.9 0.0 3.9 . . . . . A . 435 LYS H . . A . 434 HIS HB3 . . . 435 . HN . . . . . 434 . HB* . . c16596_2kqe 1 383 1 . . 1 1 72 72 HIS HD2 H . . . 1 1 73 73 LYS H H . . . . . 5.5 0.0 5.5 . . . . . A . 434 HIS HD2 . . A . 435 LYS H . . . 434 . HD2 . . . . . 435 . HN . . c16596_2kqe 1 384 1 . . 1 1 72 72 HIS HD2 H . . . 1 1 73 73 LYS HA H . . . . . 5.3 0.0 5.3 . . . . . A . 434 HIS HD2 . . A . 435 LYS HA . . . 434 . HD2 . . . . . 435 . HA . . c16596_2kqe 1 385 1 OR . 1 1 72 72 HIS HD2 H . . . 1 1 73 73 LYS HD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 434 HIS HD2 . . A . 435 LYS HD2 . . . 434 . HD2 . . . . . 435 . HD* . . c16596_2kqe 1 385 2 OR . 1 1 72 72 HIS HD2 H . . . 1 1 73 73 LYS HD3 H . . . . . 5.5 0.0 5.5 . . . . . A . 434 HIS HD2 . . A . 435 LYS HD3 . . . 434 . HD2 . . . . . 435 . HD* . . c16596_2kqe 1 386 1 . . 1 1 72 72 HIS H H . . . 1 1 74 74 ILE H H . . . . . 4.8 0.0 4.8 . . . . . A . 434 HIS H . . A . 436 ILE H . . . 434 . HN . . . . . 436 . HN . . c16596_2kqe 1 387 1 . . 1 1 72 72 HIS H H . . . 1 1 74 74 ILE MG H . . . . . 5.5 0.0 5.5 . . . . . A . 434 HIS H . . A . 436 ILE MG . . . 434 . HN . . . . . 436 . HG2* . . c16596_2kqe 1 388 1 . . 1 1 74 74 ILE H H . . . 1 1 72 72 HIS HA H . . . . . 5.0 0.0 5.0 . . . . . A . 436 ILE H . . A . 434 HIS HA . . . 436 . HN . . . . . 434 . HA . . c16596_2kqe 1 389 1 OR . 1 1 74 74 ILE H H . . . 1 1 72 72 HIS HB2 H . . . . . 5.4 0.0 5.4 . . . . . A . 436 ILE H . . A . 434 HIS HB2 . . . 436 . HN . . . . . 434 . HB* . . c16596_2kqe 1 389 2 OR . 1 1 74 74 ILE H H . . . 1 1 72 72 HIS HB3 H . . . . . 5.4 0.0 5.4 . . . . . A . 436 ILE H . . A . 434 HIS HB3 . . . 436 . HN . . . . . 434 . HB* . . c16596_2kqe 1 390 1 . . 1 1 72 72 HIS H H . . . 1 1 75 75 GLU H H . . . . . 5.4 0.0 5.4 . . . . . A . 434 HIS H . . A . 437 GLU H . . . 434 . HN . . . . . 437 . HN . . c16596_2kqe 1 391 1 OR . 1 1 72 72 HIS H H . . . 1 1 75 75 GLU HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 434 HIS H . . A . 437 GLU HB2 . . . 434 . HN . . . . . 437 . HB* . . c16596_2kqe 1 391 2 OR . 1 1 72 72 HIS H H . . . 1 1 75 75 GLU HB3 H . . . . . 5.5 0.0 5.5 . . . . . A . 434 HIS H . . A . 437 GLU HB3 . . . 434 . HN . . . . . 437 . HB* . . c16596_2kqe 1 392 1 . . 1 1 72 72 HIS HA H . . . 1 1 75 75 GLU H H . . . . . 4.3 0.0 4.3 . . . . . A . 434 HIS HA . . A . 437 GLU H . . . 434 . HA . . . . . 437 . HN . . c16596_2kqe 1 393 1 OR . 1 1 72 72 HIS HA H . . . 1 1 75 75 GLU HB2 H . . . . . 4.0 0.0 4.0 . . . . . A . 434 HIS HA . . A . 437 GLU HB2 . . . 434 . HA . . . . . 437 . HB* . . c16596_2kqe 1 393 2 OR . 1 1 72 72 HIS HA H . . . 1 1 75 75 GLU HB3 H . . . . . 4.0 0.0 4.0 . . . . . A . 434 HIS HA . . A . 437 GLU HB3 . . . 434 . HA . . . . . 437 . HB* . . c16596_2kqe 1 394 1 . . 1 1 76 76 TYR H H . . . 1 1 72 72 HIS HA H . . . . . 5.1 0.0 5.1 . . . . . A . 438 TYR H . . A . 434 HIS HA . . . 438 . HN . . . . . 434 . HA . . c16596_2kqe 1 395 1 OR . 1 1 78 78 HIS HE1 H . . . 1 1 72 72 HIS HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 440 HIS HE1 . . A . 434 HIS HB2 . . . 440 . HE1 . . . . . 434 . HB* . . c16596_2kqe 1 395 2 OR . 1 1 78 78 HIS HE1 H . . . 1 1 72 72 HIS HB3 H . . . . . 5.5 0.0 5.5 . . . . . A . 440 HIS HE1 . . A . 434 HIS HB3 . . . 440 . HE1 . . . . . 434 . HB* . . c16596_2kqe 1 396 1 . . 1 1 78 78 HIS HE1 H . . . 1 1 72 72 HIS HD2 H . . . . . 4.3 0.0 4.3 . . . . . A . 440 HIS HE1 . . A . 434 HIS HD2 . . . 440 . HE1 . . . . . 434 . HD2 . . c16596_2kqe 1 397 1 OR . 1 1 73 73 LYS H H . . . 1 1 73 73 LYS HB2 H . . . . . 3.7 0.0 3.7 . . . . . A . 435 LYS H . . A . 435 LYS HB2 . . . 435 . HN . . . . . 435 . HB* . . c16596_2kqe 1 397 2 OR . 1 1 73 73 LYS H H . . . 1 1 73 73 LYS HB3 H . . . . . 3.7 0.0 3.7 . . . . . A . 435 LYS H . . A . 435 LYS HB3 . . . 435 . HN . . . . . 435 . HB* . . c16596_2kqe 1 398 1 OR . 1 1 73 73 LYS H H . . . 1 1 73 73 LYS HG2 H . . . . . 4.3 0.0 4.3 . . . . . A . 435 LYS H . . A . 435 LYS HG2 . . . 435 . HN . . . . . 435 . HG* . . c16596_2kqe 1 398 2 OR . 1 1 73 73 LYS H H . . . 1 1 73 73 LYS HG3 H . . . . . 4.3 0.0 4.3 . . . . . A . 435 LYS H . . A . 435 LYS HG3 . . . 435 . HN . . . . . 435 . HG* . . c16596_2kqe 1 399 1 OR . 1 1 73 73 LYS H H . . . 1 1 73 73 LYS HD2 H . . . . . 4.2 0.0 4.2 . . . . . A . 435 LYS H . . A . 435 LYS HD2 . . . 435 . HN . . . . . 435 . HD* . . c16596_2kqe 1 399 2 OR . 1 1 73 73 LYS H H . . . 1 1 73 73 LYS HD3 H . . . . . 4.2 0.0 4.2 . . . . . A . 435 LYS H . . A . 435 LYS HD3 . . . 435 . HN . . . . . 435 . HD* . . c16596_2kqe 1 400 1 OR . 1 1 73 73 LYS HA H . . . 1 1 73 73 LYS HG2 H . . . . . 3.9 0.0 3.9 . . . . . A . 435 LYS HA . . A . 435 LYS HG2 . . . 435 . HA . . . . . 435 . HG* . . c16596_2kqe 1 400 2 OR . 1 1 73 73 LYS HA H . . . 1 1 73 73 LYS HG3 H . . . . . 3.9 0.0 3.9 . . . . . A . 435 LYS HA . . A . 435 LYS HG3 . . . 435 . HA . . . . . 435 . HG* . . c16596_2kqe 1 401 1 OR . 1 1 73 73 LYS HA H . . . 1 1 73 73 LYS HD2 H . . . . . 3.9 0.0 3.9 . . . . . A . 435 LYS HA . . A . 435 LYS HD2 . . . 435 . HA . . . . . 435 . HD* . . c16596_2kqe 1 401 2 OR . 1 1 73 73 LYS HD3 H . . . 1 1 73 73 LYS HA H . . . . . 3.9 0.0 3.9 . . . . . A . 435 LYS HD3 . . A . 435 LYS HA . . . 435 . HD* . . . . . 435 . HA . . c16596_2kqe 1 402 1 OR . 1 1 73 73 LYS HA H . . . 1 1 73 73 LYS HE2 H . . . . . 5.1 0.0 5.1 . . . . . A . 435 LYS HA . . A . 435 LYS HE2 . . . 435 . HA . . . . . 435 . HE* . . c16596_2kqe 1 402 2 OR . 1 1 73 73 LYS HE3 H . . . 1 1 73 73 LYS HA H . . . . . 5.1 0.0 5.1 . . . . . A . 435 LYS HE3 . . A . 435 LYS HA . . . 435 . HE* . . . . . 435 . HA . . c16596_2kqe 1 403 1 OR . 1 1 73 73 LYS HB2 H . . . 1 1 73 73 LYS HD2 H . . . . . 3.8 0.0 3.8 . . . . . A . 435 LYS HB2 . . A . 435 LYS HD2 . . . 435 . HB* . . . . . 435 . HD* . . c16596_2kqe 1 403 2 OR . 1 1 73 73 LYS HB3 H . . . 1 1 73 73 LYS HD2 H . . . . . 3.8 0.0 3.8 . . . . . A . 435 LYS HB3 . . A . 435 LYS HD2 . . . 435 . HB* . . . . . 435 . HD* . . c16596_2kqe 1 403 3 OR . 1 1 73 73 LYS HD3 H . . . 1 1 73 73 LYS HB2 H . . . . . 3.8 0.0 3.8 . . . . . A . 435 LYS HD3 . . A . 435 LYS HB2 . . . 435 . HD* . . . . . 435 . HB* . . c16596_2kqe 1 403 4 OR . 1 1 73 73 LYS HB3 H . . . 1 1 73 73 LYS HD3 H . . . . . 3.8 0.0 3.8 . . . . . A . 435 LYS HB3 . . A . 435 LYS HD3 . . . 435 . HB* . . . . . 435 . HD* . . c16596_2kqe 1 404 1 OR . 1 1 73 73 LYS HB2 H . . . 1 1 73 73 LYS HE2 H . . . . . 4.6 0.0 4.6 . . . . . A . 435 LYS HB2 . . A . 435 LYS HE2 . . . 435 . HB* . . . . . 435 . HE* . . c16596_2kqe 1 404 2 OR . 1 1 73 73 LYS HB3 H . . . 1 1 73 73 LYS HE2 H . . . . . 4.6 0.0 4.6 . . . . . A . 435 LYS HB3 . . A . 435 LYS HE2 . . . 435 . HB* . . . . . 435 . HE* . . c16596_2kqe 1 404 3 OR . 1 1 73 73 LYS HE3 H . . . 1 1 73 73 LYS HB2 H . . . . . 4.6 0.0 4.6 . . . . . A . 435 LYS HE3 . . A . 435 LYS HB2 . . . 435 . HE* . . . . . 435 . HB* . . c16596_2kqe 1 404 4 OR . 1 1 73 73 LYS HB3 H . . . 1 1 73 73 LYS HE3 H . . . . . 4.6 0.0 4.6 . . . . . A . 435 LYS HB3 . . A . 435 LYS HE3 . . . 435 . HB* . . . . . 435 . HE* . . c16596_2kqe 1 405 1 OR . 1 1 73 73 LYS HE2 H . . . 1 1 73 73 LYS HG2 H . . . . . 4.2 0.0 4.2 . . . . . A . 435 LYS HE2 . . A . 435 LYS HG2 . . . 435 . HE* . . . . . 435 . HG* . . c16596_2kqe 1 405 2 OR . 1 1 73 73 LYS HE3 H . . . 1 1 73 73 LYS HG2 H . . . . . 4.2 0.0 4.2 . . . . . A . 435 LYS HE3 . . A . 435 LYS HG2 . . . 435 . HE* . . . . . 435 . HG* . . c16596_2kqe 1 405 3 OR . 1 1 73 73 LYS HG3 H . . . 1 1 73 73 LYS HE2 H . . . . . 4.2 0.0 4.2 . . . . . A . 435 LYS HG3 . . A . 435 LYS HE2 . . . 435 . HG* . . . . . 435 . HE* . . c16596_2kqe 1 405 4 OR . 1 1 73 73 LYS HE3 H . . . 1 1 73 73 LYS HG3 H . . . . . 4.2 0.0 4.2 . . . . . A . 435 LYS HE3 . . A . 435 LYS HG3 . . . 435 . HE* . . . . . 435 . HG* . . c16596_2kqe 1 406 1 . . 1 1 73 73 LYS H H . . . 1 1 74 74 ILE H H . . . . . 3.5 0.0 3.5 . . . . . A . 435 LYS H . . A . 436 ILE H . . . 435 . HN . . . . . 436 . HN . . c16596_2kqe 1 407 1 . . 1 1 73 73 LYS H H . . . 1 1 74 74 ILE HA H . . . . . 5.5 0.0 5.5 . . . . . A . 435 LYS H . . A . 436 ILE HA . . . 435 . HN . . . . . 436 . HA . . c16596_2kqe 1 408 1 . . 1 1 73 73 LYS H H . . . 1 1 74 74 ILE MG H . . . . . 5.0 0.0 5.0 . . . . . A . 435 LYS H . . A . 436 ILE MG . . . 435 . HN . . . . . 436 . HG2* . . c16596_2kqe 1 409 1 . . 1 1 73 73 LYS HA H . . . 1 1 74 74 ILE HA H . . . . . 4.9 0.0 4.9 . . . . . A . 435 LYS HA . . A . 436 ILE HA . . . 435 . HA . . . . . 436 . HA . . c16596_2kqe 1 410 1 OR . 1 1 74 74 ILE H H . . . 1 1 73 73 LYS HB2 H . . . . . 4.4 0.0 4.4 . . . . . A . 436 ILE H . . A . 435 LYS HB2 . . . 436 . HN . . . . . 435 . HB* . . c16596_2kqe 1 410 2 OR . 1 1 73 73 LYS HB3 H . . . 1 1 74 74 ILE H H . . . . . 4.4 0.0 4.4 . . . . . A . 435 LYS HB3 . . A . 436 ILE H . . . 435 . HB* . . . . . 436 . HN . . c16596_2kqe 1 411 1 OR . 1 1 74 74 ILE HA H . . . 1 1 73 73 LYS HB2 H . . . . . 5.2 0.0 5.2 . . . . . A . 436 ILE HA . . A . 435 LYS HB2 . . . 436 . HA . . . . . 435 . HB* . . c16596_2kqe 1 411 2 OR . 1 1 73 73 LYS HB3 H . . . 1 1 74 74 ILE HA H . . . . . 5.2 0.0 5.2 . . . . . A . 435 LYS HB3 . . A . 436 ILE HA . . . 435 . HB* . . . . . 436 . HA . . c16596_2kqe 1 412 1 . . 1 1 73 73 LYS H H . . . 1 1 75 75 GLU H H . . . . . 4.8 0.0 4.8 . . . . . A . 435 LYS H . . A . 437 GLU H . . . 435 . HN . . . . . 437 . HN . . c16596_2kqe 1 413 1 . . 1 1 76 76 TYR H H . . . 1 1 73 73 LYS HA H . . . . . 4.7 0.0 4.7 . . . . . A . 438 TYR H . . A . 435 LYS HA . . . 438 . HN . . . . . 435 . HA . . c16596_2kqe 1 414 1 . . 1 1 78 78 HIS HE1 H . . . 1 1 73 73 LYS HA H . . . . . 4.1 0.0 4.1 . . . . . A . 440 HIS HE1 . . A . 435 LYS HA . . . 440 . HE1 . . . . . 435 . HA . . c16596_2kqe 1 415 1 OR . 1 1 78 78 HIS HE1 H . . . 1 1 73 73 LYS HG2 H . . . . . 5.4 0.0 5.4 . . . . . A . 440 HIS HE1 . . A . 435 LYS HG2 . . . 440 . HE1 . . . . . 435 . HG* . . c16596_2kqe 1 415 2 OR . 1 1 78 78 HIS HE1 H . . . 1 1 73 73 LYS HG3 H . . . . . 5.4 0.0 5.4 . . . . . A . 440 HIS HE1 . . A . 435 LYS HG3 . . . 440 . HE1 . . . . . 435 . HG* . . c16596_2kqe 1 416 1 OR . 1 1 78 78 HIS HE1 H . . . 1 1 73 73 LYS HD2 H . . . . . 5.3 0.0 5.3 . . . . . A . 440 HIS HE1 . . A . 435 LYS HD2 . . . 440 . HE1 . . . . . 435 . HD* . . c16596_2kqe 1 416 2 OR . 1 1 78 78 HIS HE1 H . . . 1 1 73 73 LYS HD3 H . . . . . 5.3 0.0 5.3 . . . . . A . 440 HIS HE1 . . A . 435 LYS HD3 . . . 440 . HE1 . . . . . 435 . HD* . . c16596_2kqe 1 417 1 . . 1 1 74 74 ILE H H . . . 1 1 74 74 ILE HB H . . . . . 3.2 0.0 3.2 . . . . . A . 436 ILE H . . A . 436 ILE HB . . . 436 . HN . . . . . 436 . HB . . c16596_2kqe 1 418 1 . . 1 1 74 74 ILE H H . . . 1 1 74 74 ILE MG H . . . . . 3.7 0.0 3.7 . . . . . A . 436 ILE H . . A . 436 ILE MG . . . 436 . HN . . . . . 436 . HG2* . . c16596_2kqe 1 419 1 . . 1 1 74 74 ILE H H . . . 1 1 74 74 ILE MD H . . . . . 4.1 0.0 4.1 . . . . . A . 436 ILE H . . A . 436 ILE MD . . . 436 . HN . . . . . 436 . HD1* . . c16596_2kqe 1 420 1 OR . 1 1 74 74 ILE HA H . . . 1 1 74 74 ILE HG12 H . . . . . 3.7 0.0 3.7 . . . . . A . 436 ILE HA . . A . 436 ILE HG12 . . . 436 . HA . . . . . 436 . HG1* . . c16596_2kqe 1 420 2 OR . 1 1 74 74 ILE HA H . . . 1 1 74 74 ILE HG13 H . . . . . 3.7 0.0 3.7 . . . . . A . 436 ILE HA . . A . 436 ILE HG13 . . . 436 . HA . . . . . 436 . HG1* . . c16596_2kqe 1 421 1 . . 1 1 74 74 ILE MG H . . . 1 1 74 74 ILE HA H . . . . . 3.2 0.0 3.2 . . . . . A . 436 ILE MG . . A . 436 ILE HA . . . 436 . HG2* . . . . . 436 . HA . . c16596_2kqe 1 422 1 . . 1 1 74 74 ILE MD H . . . 1 1 74 74 ILE HA H . . . . . 4.1 0.0 4.1 . . . . . A . 436 ILE MD . . A . 436 ILE HA . . . 436 . HD1* . . . . . 436 . HA . . c16596_2kqe 1 423 1 . . 1 1 74 74 ILE MD H . . . 1 1 74 74 ILE HB H . . . . . 3.5 0.0 3.5 . . . . . A . 436 ILE MD . . A . 436 ILE HB . . . 436 . HD1* . . . . . 436 . HB . . c16596_2kqe 1 424 1 OR . 1 1 74 74 ILE MG H . . . 1 1 74 74 ILE HG12 H . . . . . 3.8 0.0 3.8 . . . . . A . 436 ILE MG . . A . 436 ILE HG12 . . . 436 . HG2* . . . . . 436 . HG1* . . c16596_2kqe 1 424 2 OR . 1 1 74 74 ILE MG H . . . 1 1 74 74 ILE HG13 H . . . . . 3.8 0.0 3.8 . . . . . A . 436 ILE MG . . A . 436 ILE HG13 . . . 436 . HG2* . . . . . 436 . HG1* . . c16596_2kqe 1 425 1 . . 1 1 74 74 ILE H H . . . 1 1 75 75 GLU H H . . . . . 3.2 0.0 3.2 . . . . . A . 436 ILE H . . A . 437 GLU H . . . 436 . HN . . . . . 437 . HN . . c16596_2kqe 1 426 1 . . 1 1 75 75 GLU HA H . . . 1 1 74 74 ILE H H . . . . . 5.3 0.0 5.3 . . . . . A . 437 GLU HA . . A . 436 ILE H . . . 437 . HA . . . . . 436 . HN . . c16596_2kqe 1 427 1 OR . 1 1 74 74 ILE H H . . . 1 1 75 75 GLU HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 436 ILE H . . A . 437 GLU HG2 . . . 436 . HN . . . . . 437 . HG* . . c16596_2kqe 1 427 2 OR . 1 1 74 74 ILE H H . . . 1 1 75 75 GLU HG3 H . . . . . 5.5 0.0 5.5 . . . . . A . 436 ILE H . . A . 437 GLU HG3 . . . 436 . HN . . . . . 437 . HG* . . c16596_2kqe 1 428 1 . . 1 1 75 75 GLU H H . . . 1 1 74 74 ILE HB H . . . . . 5.5 0.0 5.5 . . . . . A . 437 GLU H . . A . 436 ILE HB . . . 437 . HN . . . . . 436 . HB . . c16596_2kqe 1 429 1 OR . 1 1 75 75 GLU H H . . . 1 1 74 74 ILE HG12 H . . . . . 5.1 0.0 5.1 . . . . . A . 437 GLU H . . A . 436 ILE HG12 . . . 437 . HN . . . . . 436 . HG1* . . c16596_2kqe 1 429 2 OR . 1 1 75 75 GLU H H . . . 1 1 74 74 ILE HG13 H . . . . . 5.1 0.0 5.1 . . . . . A . 437 GLU H . . A . 436 ILE HG13 . . . 437 . HN . . . . . 436 . HG1* . . c16596_2kqe 1 430 1 . . 1 1 74 74 ILE MG H . . . 1 1 75 75 GLU H H . . . . . 4.0 0.0 4.0 . . . . . A . 436 ILE MG . . A . 437 GLU H . . . 436 . HG2* . . . . . 437 . HN . . c16596_2kqe 1 431 1 OR . 1 1 75 75 GLU HA H . . . 1 1 74 74 ILE HG12 H . . . . . 5.2 0.0 5.2 . . . . . A . 437 GLU HA . . A . 436 ILE HG12 . . . 437 . HA . . . . . 436 . HG1* . . c16596_2kqe 1 431 2 OR . 1 1 75 75 GLU HA H . . . 1 1 74 74 ILE HG13 H . . . . . 5.2 0.0 5.2 . . . . . A . 437 GLU HA . . A . 436 ILE HG13 . . . 437 . HA . . . . . 436 . HG1* . . c16596_2kqe 1 432 1 . . 1 1 75 75 GLU HA H . . . 1 1 74 74 ILE MG H . . . . . 4.7 0.0 4.7 . . . . . A . 437 GLU HA . . A . 436 ILE MG . . . 437 . HA . . . . . 436 . HG2* . . c16596_2kqe 1 433 1 OR . 1 1 74 74 ILE MG H . . . 1 1 75 75 GLU HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 436 ILE MG . . A . 437 GLU HB2 . . . 436 . HG2* . . . . . 437 . HB* . . c16596_2kqe 1 433 2 OR . 1 1 74 74 ILE MG H . . . 1 1 75 75 GLU HB3 H . . . . . 5.5 0.0 5.5 . . . . . A . 436 ILE MG . . A . 437 GLU HB3 . . . 436 . HG2* . . . . . 437 . HB* . . c16596_2kqe 1 434 1 . . 1 1 74 74 ILE MD H . . . 1 1 75 75 GLU H H . . . . . 4.7 0.0 4.7 . . . . . A . 436 ILE MD . . A . 437 GLU H . . . 436 . HD1* . . . . . 437 . HN . . c16596_2kqe 1 435 1 OR . 1 1 74 74 ILE MD H . . . 1 1 75 75 GLU HB2 H . . . . . 4.2 0.0 4.2 . . . . . A . 436 ILE MD . . A . 437 GLU HB2 . . . 436 . HD1* . . . . . 437 . HB* . . c16596_2kqe 1 435 2 OR . 1 1 74 74 ILE MD H . . . 1 1 75 75 GLU HB3 H . . . . . 4.2 0.0 4.2 . . . . . A . 436 ILE MD . . A . 437 GLU HB3 . . . 436 . HD1* . . . . . 437 . HB* . . c16596_2kqe 1 436 1 OR . 1 1 74 74 ILE MD H . . . 1 1 75 75 GLU HG2 H . . . . . 4.8 0.0 4.8 . . . . . A . 436 ILE MD . . A . 437 GLU HG2 . . . 436 . HD1* . . . . . 437 . HG* . . c16596_2kqe 1 436 2 OR . 1 1 74 74 ILE MD H . . . 1 1 75 75 GLU HG3 H . . . . . 4.8 0.0 4.8 . . . . . A . 436 ILE MD . . A . 437 GLU HG3 . . . 436 . HD1* . . . . . 437 . HG* . . c16596_2kqe 1 437 1 . . 1 1 76 76 TYR H H . . . 1 1 74 74 ILE HA H . . . . . 5.4 0.0 5.4 . . . . . A . 438 TYR H . . A . 436 ILE HA . . . 438 . HN . . . . . 436 . HA . . c16596_2kqe 1 438 1 . . 1 1 76 76 TYR H H . . . 1 1 74 74 ILE MG H . . . . . 5.5 0.0 5.5 . . . . . A . 438 TYR H . . A . 436 ILE MG . . . 438 . HN . . . . . 436 . HG2* . . c16596_2kqe 1 439 1 OR . 1 1 75 75 GLU H H . . . 1 1 75 75 GLU HB2 H . . . . . 3.3 0.0 3.3 . . . . . A . 437 GLU H . . A . 437 GLU HB2 . . . 437 . HN . . . . . 437 . HB* . . c16596_2kqe 1 439 2 OR . 1 1 75 75 GLU H H . . . 1 1 75 75 GLU HB3 H . . . . . 3.3 0.0 3.3 . . . . . A . 437 GLU H . . A . 437 GLU HB3 . . . 437 . HN . . . . . 437 . HB* . . c16596_2kqe 1 440 1 OR . 1 1 75 75 GLU H H . . . 1 1 75 75 GLU HG2 H . . . . . 4.1 0.0 4.1 . . . . . A . 437 GLU H . . A . 437 GLU HG2 . . . 437 . HN . . . . . 437 . HG* . . c16596_2kqe 1 440 2 OR . 1 1 75 75 GLU H H . . . 1 1 75 75 GLU HG3 H . . . . . 4.1 0.0 4.1 . . . . . A . 437 GLU H . . A . 437 GLU HG3 . . . 437 . HN . . . . . 437 . HG* . . c16596_2kqe 1 441 1 OR . 1 1 75 75 GLU HA H . . . 1 1 75 75 GLU HG2 H . . . . . 4.0 0.0 4.0 . . . . . A . 437 GLU HA . . A . 437 GLU HG2 . . . 437 . HA . . . . . 437 . HG* . . c16596_2kqe 1 441 2 OR . 1 1 75 75 GLU HA H . . . 1 1 75 75 GLU HG3 H . . . . . 4.0 0.0 4.0 . . . . . A . 437 GLU HA . . A . 437 GLU HG3 . . . 437 . HA . . . . . 437 . HG* . . c16596_2kqe 1 442 1 . . 1 1 76 76 TYR H H . . . 1 1 75 75 GLU H H . . . . . 3.6 0.0 3.6 . . . . . A . 438 TYR H . . A . 437 GLU H . . . 438 . HN . . . . . 437 . HN . . c16596_2kqe 1 443 1 OR . 1 1 76 76 TYR H H . . . 1 1 75 75 GLU HB2 H . . . . . 4.1 0.0 4.1 . . . . . A . 438 TYR H . . A . 437 GLU HB2 . . . 438 . HN . . . . . 437 . HB* . . c16596_2kqe 1 443 2 OR . 1 1 76 76 TYR H H . . . 1 1 75 75 GLU HB3 H . . . . . 4.1 0.0 4.1 . . . . . A . 438 TYR H . . A . 437 GLU HB3 . . . 438 . HN . . . . . 437 . HB* . . c16596_2kqe 1 444 1 OR . 1 1 76 76 TYR H H . . . 1 1 75 75 GLU HG2 H . . . . . 5.2 0.0 5.2 . . . . . A . 438 TYR H . . A . 437 GLU HG2 . . . 438 . HN . . . . . 437 . HG* . . c16596_2kqe 1 444 2 OR . 1 1 76 76 TYR H H . . . 1 1 75 75 GLU HG3 H . . . . . 5.2 0.0 5.2 . . . . . A . 438 TYR H . . A . 437 GLU HG3 . . . 438 . HN . . . . . 437 . HG* . . c16596_2kqe 1 445 1 OR . 1 1 76 76 TYR H H . . . 1 1 76 76 TYR HB2 H . . . . . 3.8 0.0 3.8 . . . . . A . 438 TYR H . . A . 438 TYR HB2 . . . 438 . HN . . . . . 438 . HB* . . c16596_2kqe 1 445 2 OR . 1 1 76 76 TYR H H . . . 1 1 76 76 TYR HB3 H . . . . . 3.8 0.0 3.8 . . . . . A . 438 TYR H . . A . 438 TYR HB3 . . . 438 . HN . . . . . 438 . HB* . . c16596_2kqe 1 446 1 . . 1 1 76 76 TYR HA H . . . 1 1 76 76 TYR QD H . . . . . 3.2 0.0 3.2 . . . . . A . 438 TYR HA . . A . 438 TYR QD . . . 438 . HA . . . . . 438 . HD* . . c16596_2kqe 1 447 1 OR . 1 1 76 76 TYR QD H . . . 1 1 76 76 TYR HB2 H . . . . . 3.7 0.0 3.7 . . . . . A . 438 TYR QD . . A . 438 TYR HB2 . . . 438 . HD* . . . . . 438 . HB* . . c16596_2kqe 1 447 2 OR . 1 1 76 76 TYR QD H . . . 1 1 76 76 TYR HB3 H . . . . . 3.7 0.0 3.7 . . . . . A . 438 TYR QD . . A . 438 TYR HB3 . . . 438 . HD* . . . . . 438 . HB* . . c16596_2kqe 1 448 1 OR . 1 1 76 76 TYR QE H . . . 1 1 76 76 TYR HB2 H . . . . . 5.1 0.0 5.1 . . . . . A . 438 TYR QE . . A . 438 TYR HB2 . . . 438 . HE* . . . . . 438 . HB* . . c16596_2kqe 1 448 2 OR . 1 1 76 76 TYR QE H . . . 1 1 76 76 TYR HB3 H . . . . . 5.1 0.0 5.1 . . . . . A . 438 TYR QE . . A . 438 TYR HB3 . . . 438 . HE* . . . . . 438 . HB* . . c16596_2kqe 1 449 1 . . 1 1 76 76 TYR H H . . . 1 1 77 77 ARG H H . . . . . 4.9 0.0 4.9 . . . . . A . 438 TYR H . . A . 439 ARG H . . . 438 . HN . . . . . 439 . HN . . c16596_2kqe 1 450 1 . . 1 1 76 76 TYR HA H . . . 1 1 77 77 ARG H H . . . . . 3.5 0.0 3.5 . . . . . A . 438 TYR HA . . A . 439 ARG H . . . 438 . HA . . . . . 439 . HN . . c16596_2kqe 1 451 1 OR . 1 1 77 77 ARG H H . . . 1 1 76 76 TYR HB2 H . . . . . 3.9 0.0 3.9 . . . . . A . 439 ARG H . . A . 438 TYR HB2 . . . 439 . HN . . . . . 438 . HB* . . c16596_2kqe 1 451 2 OR . 1 1 77 77 ARG H H . . . 1 1 76 76 TYR HB3 H . . . . . 3.9 0.0 3.9 . . . . . A . 439 ARG H . . A . 438 TYR HB3 . . . 439 . HN . . . . . 438 . HB* . . c16596_2kqe 1 452 1 . . 1 1 77 77 ARG H H . . . 1 1 76 76 TYR QD H . . . . . 4.3 0.0 4.3 . . . . . A . 439 ARG H . . A . 438 TYR QD . . . 439 . HN . . . . . 438 . HD* . . c16596_2kqe 1 453 1 . . 1 1 76 76 TYR H H . . . 1 1 78 78 HIS HE1 H . . . . . 4.7 0.0 4.7 . . . . . A . 438 TYR H . . A . 440 HIS HE1 . . . 438 . HN . . . . . 440 . HE1 . . c16596_2kqe 1 454 1 OR . 1 1 78 78 HIS HE1 H . . . 1 1 76 76 TYR HB2 H . . . . . 4.4 0.0 4.4 . . . . . A . 440 HIS HE1 . . A . 438 TYR HB2 . . . 440 . HE1 . . . . . 438 . HB* . . c16596_2kqe 1 454 2 OR . 1 1 76 76 TYR HB3 H . . . 1 1 78 78 HIS HE1 H . . . . . 4.4 0.0 4.4 . . . . . A . 438 TYR HB3 . . A . 440 HIS HE1 . . . 438 . HB* . . . . . 440 . HE1 . . c16596_2kqe 1 455 1 OR . 1 1 77 77 ARG H H . . . 1 1 77 77 ARG HB2 H . . . . . 3.6 0.0 3.6 . . . . . A . 439 ARG H . . A . 439 ARG HB2 . . . 439 . HN . . . . . 439 . HB* . . c16596_2kqe 1 455 2 OR . 1 1 77 77 ARG H H . . . 1 1 77 77 ARG HB3 H . . . . . 3.6 0.0 3.6 . . . . . A . 439 ARG H . . A . 439 ARG HB3 . . . 439 . HN . . . . . 439 . HB* . . c16596_2kqe 1 456 1 OR . 1 1 77 77 ARG H H . . . 1 1 77 77 ARG HG2 H . . . . . 3.8 0.0 3.8 . . . . . A . 439 ARG H . . A . 439 ARG HG2 . . . 439 . HN . . . . . 439 . HG* . . c16596_2kqe 1 456 2 OR . 1 1 77 77 ARG HG3 H . . . 1 1 77 77 ARG H H . . . . . 3.8 0.0 3.8 . . . . . A . 439 ARG HG3 . . A . 439 ARG H . . . 439 . HG* . . . . . 439 . HN . . c16596_2kqe 1 457 1 OR . 1 1 77 77 ARG H H . . . 1 1 77 77 ARG HD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 439 ARG H . . A . 439 ARG HD2 . . . 439 . HN . . . . . 439 . HD* . . c16596_2kqe 1 457 2 OR . 1 1 77 77 ARG HD3 H . . . 1 1 77 77 ARG H H . . . . . 5.5 0.0 5.5 . . . . . A . 439 ARG HD3 . . A . 439 ARG H . . . 439 . HD* . . . . . 439 . HN . . c16596_2kqe 1 458 1 OR . 1 1 77 77 ARG HA H . . . 1 1 77 77 ARG HG2 H . . . . . 3.9 0.0 3.9 . . . . . A . 439 ARG HA . . A . 439 ARG HG2 . . . 439 . HA . . . . . 439 . HG* . . c16596_2kqe 1 458 2 OR . 1 1 77 77 ARG HG3 H . . . 1 1 77 77 ARG HA H . . . . . 3.9 0.0 3.9 . . . . . A . 439 ARG HG3 . . A . 439 ARG HA . . . 439 . HG* . . . . . 439 . HA . . c16596_2kqe 1 459 1 OR . 1 1 77 77 ARG HA H . . . 1 1 77 77 ARG HD2 H . . . . . 5.1 0.0 5.1 . . . . . A . 439 ARG HA . . A . 439 ARG HD2 . . . 439 . HA . . . . . 439 . HD* . . c16596_2kqe 1 459 2 OR . 1 1 77 77 ARG HD3 H . . . 1 1 77 77 ARG HA H . . . . . 5.1 0.0 5.1 . . . . . A . 439 ARG HD3 . . A . 439 ARG HA . . . 439 . HD* . . . . . 439 . HA . . c16596_2kqe 1 460 1 OR . 1 1 77 77 ARG HB3 H . . . 1 1 77 77 ARG HG2 H . . . . . 3.0 0.0 3.0 . . . . . A . 439 ARG HB3 . . A . 439 ARG HG2 . . . 439 . HB* . . . . . 439 . HG* . . c16596_2kqe 1 460 2 OR . 1 1 77 77 ARG HB2 H . . . 1 1 77 77 ARG HG2 H . . . . . 3.0 0.0 3.0 . . . . . A . 439 ARG HB2 . . A . 439 ARG HG2 . . . 439 . HB* . . . . . 439 . HG* . . c16596_2kqe 1 460 3 OR . 1 1 77 77 ARG HG3 H . . . 1 1 77 77 ARG HB2 H . . . . . 3.0 0.0 3.0 . . . . . A . 439 ARG HG3 . . A . 439 ARG HB2 . . . 439 . HG* . . . . . 439 . HB* . . c16596_2kqe 1 460 4 OR . 1 1 77 77 ARG HG3 H . . . 1 1 77 77 ARG HB3 H . . . . . 3.0 0.0 3.0 . . . . . A . 439 ARG HG3 . . A . 439 ARG HB3 . . . 439 . HG* . . . . . 439 . HB* . . c16596_2kqe 1 461 1 OR . 1 1 77 77 ARG HB2 H . . . 1 1 77 77 ARG HD2 H . . . . . 3.5 0.0 3.5 . . . . . A . 439 ARG HB2 . . A . 439 ARG HD2 . . . 439 . HB* . . . . . 439 . HD* . . c16596_2kqe 1 461 2 OR . 1 1 77 77 ARG HB3 H . . . 1 1 77 77 ARG HD2 H . . . . . 3.5 0.0 3.5 . . . . . A . 439 ARG HB3 . . A . 439 ARG HD2 . . . 439 . HB* . . . . . 439 . HD* . . c16596_2kqe 1 461 3 OR . 1 1 77 77 ARG HD3 H . . . 1 1 77 77 ARG HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 439 ARG HD3 . . A . 439 ARG HB2 . . . 439 . HD* . . . . . 439 . HB* . . c16596_2kqe 1 461 4 OR . 1 1 77 77 ARG HD3 H . . . 1 1 77 77 ARG HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 439 ARG HD3 . . A . 439 ARG HB3 . . . 439 . HD* . . . . . 439 . HB* . . c16596_2kqe 1 462 1 . . 1 1 77 77 ARG H H . . . 1 1 78 78 HIS H H . . . . . 5.5 0.0 5.5 . . . . . A . 439 ARG H . . A . 440 HIS H . . . 439 . HN . . . . . 440 . HN . . c16596_2kqe 1 463 1 . . 1 1 77 77 ARG H H . . . 1 1 78 78 HIS HE1 H . . . . . 5.5 0.0 5.5 . . . . . A . 439 ARG H . . A . 440 HIS HE1 . . . 439 . HN . . . . . 440 . HE1 . . c16596_2kqe 1 464 1 . . 1 1 78 78 HIS H H . . . 1 1 77 77 ARG HA H . . . . . 3.5 0.0 3.5 . . . . . A . 440 HIS H . . A . 439 ARG HA . . . 440 . HN . . . . . 439 . HA . . c16596_2kqe 1 465 1 OR . 1 1 78 78 HIS H H . . . 1 1 77 77 ARG HB2 H . . . . . 4.4 0.0 4.4 . . . . . A . 440 HIS H . . A . 439 ARG HB2 . . . 440 . HN . . . . . 439 . HB* . . c16596_2kqe 1 465 2 OR . 1 1 77 77 ARG HB3 H . . . 1 1 78 78 HIS H H . . . . . 4.4 0.0 4.4 . . . . . A . 439 ARG HB3 . . A . 440 HIS H . . . 439 . HB* . . . . . 440 . HN . . c16596_2kqe 1 466 1 OR . 1 1 78 78 HIS H H . . . 1 1 77 77 ARG HG2 H . . . . . 4.8 0.0 4.8 . . . . . A . 440 HIS H . . A . 439 ARG HG2 . . . 440 . HN . . . . . 439 . HG* . . c16596_2kqe 1 466 2 OR . 1 1 77 77 ARG HG3 H . . . 1 1 78 78 HIS H H . . . . . 4.8 0.0 4.8 . . . . . A . 439 ARG HG3 . . A . 440 HIS H . . . 439 . HG* . . . . . 440 . HN . . c16596_2kqe 1 467 1 . . 1 1 77 77 ARG HA H . . . 1 1 79 79 ASN H H . . . . . 5.2 0.0 5.2 . . . . . A . 439 ARG HA . . A . 441 ASN H . . . 439 . HA . . . . . 441 . HN . . c16596_2kqe 1 468 1 OR . 1 1 79 79 ASN H H . . . 1 1 77 77 ARG HB2 H . . . . . 5.1 0.0 5.1 . . . . . A . 441 ASN H . . A . 439 ARG HB2 . . . 441 . HN . . . . . 439 . HB* . . c16596_2kqe 1 468 2 OR . 1 1 77 77 ARG HB3 H . . . 1 1 79 79 ASN H H . . . . . 5.1 0.0 5.1 . . . . . A . 439 ARG HB3 . . A . 441 ASN H . . . 439 . HB* . . . . . 441 . HN . . c16596_2kqe 1 469 1 OR . 1 1 79 79 ASN HD21 H . . . 1 1 77 77 ARG HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 441 ASN HD21 . . A . 439 ARG HB2 . . . 441 . HD21 . . . . . 439 . HB* . . c16596_2kqe 1 469 2 OR . 1 1 77 77 ARG HB3 H . . . 1 1 79 79 ASN HD21 H . . . . . 5.5 0.0 5.5 . . . . . A . 439 ARG HB3 . . A . 441 ASN HD21 . . . 439 . HB* . . . . . 441 . HD21 . . c16596_2kqe 1 470 1 OR . 1 1 79 79 ASN HD22 H . . . 1 1 77 77 ARG HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 441 ASN HD22 . . A . 439 ARG HB2 . . . 441 . HD22 . . . . . 439 . HB* . . c16596_2kqe 1 470 2 OR . 1 1 77 77 ARG HB3 H . . . 1 1 79 79 ASN HD22 H . . . . . 5.5 0.0 5.5 . . . . . A . 439 ARG HB3 . . A . 441 ASN HD22 . . . 439 . HB* . . . . . 441 . HD22 . . c16596_2kqe 1 471 1 OR . 1 1 79 79 ASN H H . . . 1 1 77 77 ARG HG2 H . . . . . 5.1 0.0 5.1 . . . . . A . 441 ASN H . . A . 439 ARG HG2 . . . 441 . HN . . . . . 439 . HG* . . c16596_2kqe 1 471 2 OR . 1 1 77 77 ARG HG3 H . . . 1 1 79 79 ASN H H . . . . . 5.1 0.0 5.1 . . . . . A . 439 ARG HG3 . . A . 441 ASN H . . . 439 . HG* . . . . . 441 . HN . . c16596_2kqe 1 472 1 OR . 1 1 79 79 ASN HD22 H . . . 1 1 77 77 ARG HD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 441 ASN HD22 . . A . 439 ARG HD2 . . . 441 . HD22 . . . . . 439 . HD* . . c16596_2kqe 1 472 2 OR . 1 1 77 77 ARG HD3 H . . . 1 1 79 79 ASN HD22 H . . . . . 5.5 0.0 5.5 . . . . . A . 439 ARG HD3 . . A . 441 ASN HD22 . . . 439 . HD* . . . . . 441 . HD22 . . c16596_2kqe 1 473 1 OR . 1 1 80 80 THR HA H . . . 1 1 77 77 ARG HB2 H . . . . . 5.0 0.0 5.0 . . . . . A . 442 THR HA . . A . 439 ARG HB2 . . . 442 . HA . . . . . 439 . HB* . . c16596_2kqe 1 473 2 OR . 1 1 77 77 ARG HB3 H . . . 1 1 80 80 THR HA H . . . . . 5.0 0.0 5.0 . . . . . A . 439 ARG HB3 . . A . 442 THR HA . . . 439 . HB* . . . . . 442 . HA . . c16596_2kqe 1 474 1 OR . 1 1 80 80 THR H H . . . 1 1 77 77 ARG HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 442 THR H . . A . 439 ARG HG2 . . . 442 . HN . . . . . 439 . HG* . . c16596_2kqe 1 474 2 OR . 1 1 77 77 ARG HG3 H . . . 1 1 80 80 THR H H . . . . . 5.5 0.0 5.5 . . . . . A . 439 ARG HG3 . . A . 442 THR H . . . 439 . HG* . . . . . 442 . HN . . c16596_2kqe 1 475 1 OR . 1 1 80 80 THR MG H . . . 1 1 77 77 ARG HG2 H . . . . . 4.7 0.0 4.7 . . . . . A . 442 THR MG . . A . 439 ARG HG2 . . . 442 . HG2* . . . . . 439 . HG* . . c16596_2kqe 1 475 2 OR . 1 1 77 77 ARG HG3 H . . . 1 1 80 80 THR MG H . . . . . 4.7 0.0 4.7 . . . . . A . 439 ARG HG3 . . A . 442 THR MG . . . 439 . HG* . . . . . 442 . HG2* . . c16596_2kqe 1 476 1 . . 1 1 78 78 HIS H H . . . 1 1 78 78 HIS HE1 H . . . . . 5.5 0.0 5.5 . . . . . A . 440 HIS H . . A . 440 HIS HE1 . . . 440 . HN . . . . . 440 . HE1 . . c16596_2kqe 1 477 1 . . 1 1 78 78 HIS H H . . . 1 1 79 79 ASN HD22 H . . . . . 5.5 0.0 5.5 . . . . . A . 440 HIS H . . A . 441 ASN HD22 . . . 440 . HN . . . . . 441 . HD22 . . c16596_2kqe 1 478 1 . . 1 1 78 78 HIS HA H . . . 1 1 79 79 ASN H H . . . . . 3.5 0.0 3.5 . . . . . A . 440 HIS HA . . A . 441 ASN H . . . 440 . HA . . . . . 441 . HN . . c16596_2kqe 1 479 1 . . 1 1 78 78 HIS HA H . . . 1 1 79 79 ASN HD21 H . . . . . 5.3 0.0 5.3 . . . . . A . 440 HIS HA . . A . 441 ASN HD21 . . . 440 . HA . . . . . 441 . HD21 . . c16596_2kqe 1 480 1 OR . 1 1 79 79 ASN H H . . . 1 1 78 78 HIS HB2 H . . . . . 4.6 0.0 4.6 . . . . . A . 441 ASN H . . A . 440 HIS HB2 . . . 441 . HN . . . . . 440 . HB* . . c16596_2kqe 1 480 2 OR . 1 1 78 78 HIS HB3 H . . . 1 1 79 79 ASN H H . . . . . 4.6 0.0 4.6 . . . . . A . 440 HIS HB3 . . A . 441 ASN H . . . 440 . HB* . . . . . 441 . HN . . c16596_2kqe 1 481 1 OR . 1 1 79 79 ASN H H . . . 1 1 79 79 ASN HB2 H . . . . . 3.6 0.0 3.6 . . . . . A . 441 ASN H . . A . 441 ASN HB2 . . . 441 . HN . . . . . 441 . HB* . . c16596_2kqe 1 481 2 OR . 1 1 79 79 ASN H H . . . 1 1 79 79 ASN HB3 H . . . . . 3.6 0.0 3.6 . . . . . A . 441 ASN H . . A . 441 ASN HB3 . . . 441 . HN . . . . . 441 . HB* . . c16596_2kqe 1 482 1 . . 1 1 79 79 ASN H H . . . 1 1 79 79 ASN HD21 H . . . . . 5.5 0.0 5.5 . . . . . A . 441 ASN H . . A . 441 ASN HD21 . . . 441 . HN . . . . . 441 . HD21 . . c16596_2kqe 1 483 1 OR . 1 1 79 79 ASN HA H . . . 1 1 79 79 ASN HB2 H . . . . . 3.0 0.0 3.0 . . . . . A . 441 ASN HA . . A . 441 ASN HB2 . . . 441 . HA . . . . . 441 . HB* . . c16596_2kqe 1 483 2 OR . 1 1 79 79 ASN HB3 H . . . 1 1 79 79 ASN HA H . . . . . 3.0 0.0 3.0 . . . . . A . 441 ASN HB3 . . A . 441 ASN HA . . . 441 . HB* . . . . . 441 . HA . . c16596_2kqe 1 484 1 . . 1 1 79 79 ASN HD21 H . . . 1 1 79 79 ASN HA H . . . . . 5.5 0.0 5.5 . . . . . A . 441 ASN HD21 . . A . 441 ASN HA . . . 441 . HD21 . . . . . 441 . HA . . c16596_2kqe 1 485 1 . . 1 1 79 79 ASN HD22 H . . . 1 1 79 79 ASN HA H . . . . . 5.5 0.0 5.5 . . . . . A . 441 ASN HD22 . . A . 441 ASN HA . . . 441 . HD22 . . . . . 441 . HA . . c16596_2kqe 1 486 1 OR . 1 1 79 79 ASN HD21 H . . . 1 1 79 79 ASN HB2 H . . . . . 3.8 0.0 3.8 . . . . . A . 441 ASN HD21 . . A . 441 ASN HB2 . . . 441 . HD21 . . . . . 441 . HB* . . c16596_2kqe 1 486 2 OR . 1 1 79 79 ASN HD21 H . . . 1 1 79 79 ASN HB3 H . . . . . 3.8 0.0 3.8 . . . . . A . 441 ASN HD21 . . A . 441 ASN HB3 . . . 441 . HD21 . . . . . 441 . HB* . . c16596_2kqe 1 487 1 OR . 1 1 79 79 ASN HD22 H . . . 1 1 79 79 ASN HB2 H . . . . . 4.1 0.0 4.1 . . . . . A . 441 ASN HD22 . . A . 441 ASN HB2 . . . 441 . HD22 . . . . . 441 . HB* . . c16596_2kqe 1 487 2 OR . 1 1 79 79 ASN HD22 H . . . 1 1 79 79 ASN HB3 H . . . . . 4.1 0.0 4.1 . . . . . A . 441 ASN HD22 . . A . 441 ASN HB3 . . . 441 . HD22 . . . . . 441 . HB* . . c16596_2kqe 1 488 1 . . 1 1 79 79 ASN H H . . . 1 1 80 80 THR H H . . . . . 4.2 0.0 4.2 . . . . . A . 441 ASN H . . A . 442 THR H . . . 441 . HN . . . . . 442 . HN . . c16596_2kqe 1 489 1 . . 1 1 79 79 ASN H H . . . 1 1 80 80 THR HA H . . . . . 5.5 0.0 5.5 . . . . . A . 441 ASN H . . A . 442 THR HA . . . 441 . HN . . . . . 442 . HA . . c16596_2kqe 1 490 1 . . 1 1 79 79 ASN H H . . . 1 1 80 80 THR MG H . . . . . 5.5 0.0 5.5 . . . . . A . 441 ASN H . . A . 442 THR MG . . . 441 . HN . . . . . 442 . HG2* . . c16596_2kqe 1 491 1 OR . 1 1 80 80 THR H H . . . 1 1 79 79 ASN HB2 H . . . . . 3.9 0.0 3.9 . . . . . A . 442 THR H . . A . 441 ASN HB2 . . . 442 . HN . . . . . 441 . HB* . . c16596_2kqe 1 491 2 OR . 1 1 80 80 THR H H . . . 1 1 79 79 ASN HB3 H . . . . . 3.9 0.0 3.9 . . . . . A . 442 THR H . . A . 441 ASN HB3 . . . 442 . HN . . . . . 441 . HB* . . c16596_2kqe 1 492 1 OR . 1 1 80 80 THR HA H . . . 1 1 79 79 ASN HB2 H . . . . . 5.0 0.0 5.0 . . . . . A . 442 THR HA . . A . 441 ASN HB2 . . . 442 . HA . . . . . 441 . HB* . . c16596_2kqe 1 492 2 OR . 1 1 80 80 THR HA H . . . 1 1 79 79 ASN HB3 H . . . . . 5.0 0.0 5.0 . . . . . A . 442 THR HA . . A . 441 ASN HB3 . . . 442 . HA . . . . . 441 . HB* . . c16596_2kqe 1 493 1 OR . 1 1 81 81 LEU H H . . . 1 1 79 79 ASN HB2 H . . . . . 5.3 0.0 5.3 . . . . . A . 443 LEU H . . A . 441 ASN HB2 . . . 443 . HN . . . . . 441 . HB* . . c16596_2kqe 1 493 2 OR . 1 1 79 79 ASN HB3 H . . . 1 1 81 81 LEU H H . . . . . 5.3 0.0 5.3 . . . . . A . 441 ASN HB3 . . A . 443 LEU H . . . 441 . HB* . . . . . 443 . HN . . c16596_2kqe 1 494 1 OR . 1 1 79 79 ASN HB3 H . . . 1 1 81 81 LEU HB2 H . . . . . 4.0 0.0 4.0 . . . . . A . 441 ASN HB3 . . A . 443 LEU HB2 . . . 441 . HB* . . . . . 443 . HB* . . c16596_2kqe 1 494 2 OR . 1 1 79 79 ASN HB2 H . . . 1 1 81 81 LEU HB2 H . . . . . 4.0 0.0 4.0 . . . . . A . 441 ASN HB2 . . A . 443 LEU HB2 . . . 441 . HB* . . . . . 443 . HB* . . c16596_2kqe 1 494 3 OR . 1 1 81 81 LEU HB3 H . . . 1 1 79 79 ASN HB2 H . . . . . 4.0 0.0 4.0 . . . . . A . 443 LEU HB3 . . A . 441 ASN HB2 . . . 443 . HB* . . . . . 441 . HB* . . c16596_2kqe 1 494 4 OR . 1 1 79 79 ASN HB3 H . . . 1 1 81 81 LEU HB3 H . . . . . 4.0 0.0 4.0 . . . . . A . 441 ASN HB3 . . A . 443 LEU HB3 . . . 441 . HB* . . . . . 443 . HB* . . c16596_2kqe 1 495 1 OR . 1 1 79 79 ASN HB3 H . . . 1 1 81 81 LEU MD1 H . . . . . 4.8 0.0 4.8 . . . . . A . 441 ASN HB3 . . A . 443 LEU MD1 . . . 441 . HB* . . . . . 443 . HD* . . c16596_2kqe 1 495 2 OR . 1 1 79 79 ASN HB2 H . . . 1 1 81 81 LEU MD1 H . . . . . 4.8 0.0 4.8 . . . . . A . 441 ASN HB2 . . A . 443 LEU MD1 . . . 441 . HB* . . . . . 443 . HD* . . c16596_2kqe 1 495 3 OR . 1 1 81 81 LEU MD2 H . . . 1 1 79 79 ASN HB2 H . . . . . 4.8 0.0 4.8 . . . . . A . 443 LEU MD2 . . A . 441 ASN HB2 . . . 443 . HD* . . . . . 441 . HB* . . c16596_2kqe 1 495 4 OR . 1 1 79 79 ASN HB3 H . . . 1 1 81 81 LEU MD2 H . . . . . 4.8 0.0 4.8 . . . . . A . 441 ASN HB3 . . A . 443 LEU MD2 . . . 441 . HB* . . . . . 443 . HD* . . c16596_2kqe 1 496 1 OR . 1 1 79 79 ASN HD21 H . . . 1 1 81 81 LEU MD1 H . . . . . 5.5 0.0 5.5 . . . . . A . 441 ASN HD21 . . A . 443 LEU MD1 . . . 441 . HD21 . . . . . 443 . HD* . . c16596_2kqe 1 496 2 OR . 1 1 79 79 ASN HD21 H . . . 1 1 81 81 LEU MD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 441 ASN HD21 . . A . 443 LEU MD2 . . . 441 . HD21 . . . . . 443 . HD* . . c16596_2kqe 1 497 1 OR . 1 1 79 79 ASN HD22 H . . . 1 1 81 81 LEU MD1 H . . . . . 5.5 0.0 5.5 . . . . . A . 441 ASN HD22 . . A . 443 LEU MD1 . . . 441 . HD22 . . . . . 443 . HD* . . c16596_2kqe 1 497 2 OR . 1 1 79 79 ASN HD22 H . . . 1 1 81 81 LEU MD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 441 ASN HD22 . . A . 443 LEU MD2 . . . 441 . HD22 . . . . . 443 . HD* . . c16596_2kqe 1 498 1 . . 1 1 80 80 THR HA H . . . 1 1 80 80 THR H H . . . . . 2.9 0.0 2.9 . . . . . A . 442 THR HA . . A . 442 THR H . . . 442 . HA . . . . . 442 . HN . . c16596_2kqe 1 499 1 . . 1 1 80 80 THR H H . . . 1 1 80 80 THR HB H . . . . . 3.9 0.0 3.9 . . . . . A . 442 THR H . . A . 442 THR HB . . . 442 . HN . . . . . 442 . HB . . c16596_2kqe 1 500 1 . . 1 1 80 80 THR H H . . . 1 1 80 80 THR MG H . . . . . 4.2 0.0 4.2 . . . . . A . 442 THR H . . A . 442 THR MG . . . 442 . HN . . . . . 442 . HG2* . . c16596_2kqe 1 501 1 . . 1 1 80 80 THR HA H . . . 1 1 80 80 THR HB H . . . . . 3.0 0.0 3.0 . . . . . A . 442 THR HA . . A . 442 THR HB . . . 442 . HA . . . . . 442 . HB . . c16596_2kqe 1 502 1 . . 1 1 80 80 THR HA H . . . 1 1 80 80 THR MG H . . . . . 3.4 0.0 3.4 . . . . . A . 442 THR HA . . A . 442 THR MG . . . 442 . HA . . . . . 442 . HG2* . . c16596_2kqe 1 503 1 . . 1 1 80 80 THR H H . . . 1 1 81 81 LEU H H . . . . . 3.2 0.0 3.2 . . . . . A . 442 THR H . . A . 443 LEU H . . . 442 . HN . . . . . 443 . HN . . c16596_2kqe 1 504 1 . . 1 1 80 80 THR H H . . . 1 1 81 81 LEU HA H . . . . . 5.5 0.0 5.5 . . . . . A . 442 THR H . . A . 443 LEU HA . . . 442 . HN . . . . . 443 . HA . . c16596_2kqe 1 505 1 OR . 1 1 80 80 THR H H . . . 1 1 81 81 LEU HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 442 THR H . . A . 443 LEU HB2 . . . 442 . HN . . . . . 443 . HB* . . c16596_2kqe 1 505 2 OR . 1 1 80 80 THR H H . . . 1 1 81 81 LEU HB3 H . . . . . 5.5 0.0 5.5 . . . . . A . 442 THR H . . A . 443 LEU HB3 . . . 442 . HN . . . . . 443 . HB* . . c16596_2kqe 1 506 1 . . 1 1 80 80 THR HA H . . . 1 1 81 81 LEU H H . . . . . 2.9 0.0 2.9 . . . . . A . 442 THR HA . . A . 443 LEU H . . . 442 . HA . . . . . 443 . HN . . c16596_2kqe 1 507 1 OR . 1 1 80 80 THR HA H . . . 1 1 81 81 LEU MD1 H . . . . . 5.5 0.0 5.5 . . . . . A . 442 THR HA . . A . 443 LEU MD1 . . . 442 . HA . . . . . 443 . HD* . . c16596_2kqe 1 507 2 OR . 1 1 80 80 THR HA H . . . 1 1 81 81 LEU MD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 442 THR HA . . A . 443 LEU MD2 . . . 442 . HA . . . . . 443 . HD* . . c16596_2kqe 1 508 1 . . 1 1 80 80 THR MG H . . . 1 1 81 81 LEU H H . . . . . 4.6 0.0 4.6 . . . . . A . 442 THR MG . . A . 443 LEU H . . . 442 . HG2* . . . . . 443 . HN . . c16596_2kqe 1 509 1 OR . 1 1 81 81 LEU H H . . . 1 1 81 81 LEU HB2 H . . . . . 3.4 0.0 3.4 . . . . . A . 443 LEU H . . A . 443 LEU HB2 . . . 443 . HN . . . . . 443 . HB* . . c16596_2kqe 1 509 2 OR . 1 1 81 81 LEU H H . . . 1 1 81 81 LEU HB3 H . . . . . 3.4 0.0 3.4 . . . . . A . 443 LEU H . . A . 443 LEU HB3 . . . 443 . HN . . . . . 443 . HB* . . c16596_2kqe 1 510 1 . . 1 1 81 81 LEU H H . . . 1 1 81 81 LEU HG H . . . . . 4.4 0.0 4.4 . . . . . A . 443 LEU H . . A . 443 LEU HG . . . 443 . HN . . . . . 443 . HG . . c16596_2kqe 1 511 1 OR . 1 1 81 81 LEU H H . . . 1 1 81 81 LEU MD1 H . . . . . 4.8 0.0 4.8 . . . . . A . 443 LEU H . . A . 443 LEU MD1 . . . 443 . HN . . . . . 443 . HD* . . c16596_2kqe 1 511 2 OR . 1 1 81 81 LEU H H . . . 1 1 81 81 LEU MD2 H . . . . . 4.8 0.0 4.8 . . . . . A . 443 LEU H . . A . 443 LEU MD2 . . . 443 . HN . . . . . 443 . HD* . . c16596_2kqe 1 512 1 OR . 1 1 81 81 LEU HA H . . . 1 1 81 81 LEU MD1 H . . . . . 3.8 0.0 3.8 . . . . . A . 443 LEU HA . . A . 443 LEU MD1 . . . 443 . HA . . . . . 443 . HD* . . c16596_2kqe 1 512 2 OR . 1 1 81 81 LEU MD2 H . . . 1 1 81 81 LEU HA H . . . . . 3.8 0.0 3.8 . . . . . A . 443 LEU MD2 . . A . 443 LEU HA . . . 443 . HD* . . . . . 443 . HA . . c16596_2kqe 1 513 1 OR . 1 1 81 81 LEU HB2 H . . . 1 1 81 81 LEU MD1 H . . . . . 3.7 0.0 3.7 . . . . . A . 443 LEU HB2 . . A . 443 LEU MD1 . . . 443 . HB* . . . . . 443 . HD* . . c16596_2kqe 1 513 2 OR . 1 1 81 81 LEU HB3 H . . . 1 1 81 81 LEU MD1 H . . . . . 3.7 0.0 3.7 . . . . . A . 443 LEU HB3 . . A . 443 LEU MD1 . . . 443 . HB* . . . . . 443 . HD* . . c16596_2kqe 1 513 3 OR . 1 1 81 81 LEU MD2 H . . . 1 1 81 81 LEU HB2 H . . . . . 3.7 0.0 3.7 . . . . . A . 443 LEU MD2 . . A . 443 LEU HB2 . . . 443 . HD* . . . . . 443 . HB* . . c16596_2kqe 1 513 4 OR . 1 1 81 81 LEU HB3 H . . . 1 1 81 81 LEU MD2 H . . . . . 3.7 0.0 3.7 . . . . . A . 443 LEU HB3 . . A . 443 LEU MD2 . . . 443 . HB* . . . . . 443 . HD* . . c16596_2kqe 1 514 1 OR . 1 1 81 81 LEU H H . . . 1 1 82 82 PRO HD2 H . . . . . 5.2 0.0 5.2 . . . . . A . 443 LEU H . . A . 444 PRO HD2 . . . 443 . HN . . . . . 444 . HD* . . c16596_2kqe 1 514 2 OR . 1 1 81 81 LEU H H . . . 1 1 82 82 PRO HD3 H . . . . . 5.2 0.0 5.2 . . . . . A . 443 LEU H . . A . 444 PRO HD3 . . . 443 . HN . . . . . 444 . HD* . . c16596_2kqe 1 515 1 . . 1 1 81 81 LEU HA H . . . 1 1 82 82 PRO HA H . . . . . 4.4 0.0 4.4 . . . . . A . 443 LEU HA . . A . 444 PRO HA . . . 443 . HA . . . . . 444 . HA . . c16596_2kqe 1 516 1 OR . 1 1 81 81 LEU HA H . . . 1 1 82 82 PRO HD2 H . . . . . 3.2 0.0 3.2 . . . . . A . 443 LEU HA . . A . 444 PRO HD2 . . . 443 . HA . . . . . 444 . HD* . . c16596_2kqe 1 516 2 OR . 1 1 81 81 LEU HA H . . . 1 1 82 82 PRO HD3 H . . . . . 3.2 0.0 3.2 . . . . . A . 443 LEU HA . . A . 444 PRO HD3 . . . 443 . HA . . . . . 444 . HD* . . c16596_2kqe 1 517 1 OR . 1 1 81 81 LEU HB2 H . . . 1 1 82 82 PRO HD2 H . . . . . 3.7 0.0 3.7 . . . . . A . 443 LEU HB2 . . A . 444 PRO HD2 . . . 443 . HB* . . . . . 444 . HD* . . c16596_2kqe 1 517 2 OR . 1 1 81 81 LEU HB3 H . . . 1 1 82 82 PRO HD2 H . . . . . 3.7 0.0 3.7 . . . . . A . 443 LEU HB3 . . A . 444 PRO HD2 . . . 443 . HB* . . . . . 444 . HD* . . c16596_2kqe 1 517 3 OR . 1 1 82 82 PRO HD3 H . . . 1 1 81 81 LEU HB2 H . . . . . 3.7 0.0 3.7 . . . . . A . 444 PRO HD3 . . A . 443 LEU HB2 . . . 444 . HD* . . . . . 443 . HB* . . c16596_2kqe 1 517 4 OR . 1 1 81 81 LEU HB3 H . . . 1 1 82 82 PRO HD3 H . . . . . 3.7 0.0 3.7 . . . . . A . 443 LEU HB3 . . A . 444 PRO HD3 . . . 443 . HB* . . . . . 444 . HD* . . c16596_2kqe 1 518 1 OR . 1 1 81 81 LEU HG H . . . 1 1 82 82 PRO HG2 H . . . . . 4.5 0.0 4.5 . . . . . A . 443 LEU HG . . A . 444 PRO HG2 . . . 443 . HG . . . . . 444 . HG* . . c16596_2kqe 1 518 2 OR . 1 1 81 81 LEU HG H . . . 1 1 82 82 PRO HG3 H . . . . . 4.5 0.0 4.5 . . . . . A . 443 LEU HG . . A . 444 PRO HG3 . . . 443 . HG . . . . . 444 . HG* . . c16596_2kqe 1 519 1 OR . 1 1 81 81 LEU MD1 H . . . 1 1 82 82 PRO HD2 H . . . . . 4.3 0.0 4.3 . . . . . A . 443 LEU MD1 . . A . 444 PRO HD2 . . . 443 . HD* . . . . . 444 . HD* . . c16596_2kqe 1 519 2 OR . 1 1 81 81 LEU MD2 H . . . 1 1 82 82 PRO HD2 H . . . . . 4.3 0.0 4.3 . . . . . A . 443 LEU MD2 . . A . 444 PRO HD2 . . . 443 . HD* . . . . . 444 . HD* . . c16596_2kqe 1 519 3 OR . 1 1 82 82 PRO HD3 H . . . 1 1 81 81 LEU MD1 H . . . . . 4.3 0.0 4.3 . . . . . A . 444 PRO HD3 . . A . 443 LEU MD1 . . . 444 . HD* . . . . . 443 . HD* . . c16596_2kqe 1 519 4 OR . 1 1 81 81 LEU MD2 H . . . 1 1 82 82 PRO HD3 H . . . . . 4.3 0.0 4.3 . . . . . A . 443 LEU MD2 . . A . 444 PRO HD3 . . . 443 . HD* . . . . . 444 . HD* . . c16596_2kqe 1 520 1 OR . 1 1 81 81 LEU HB2 H . . . 1 1 83 83 VAL MG1 H . . . . . 4.5 0.0 4.5 . . . . . A . 443 LEU HB2 . . A . 445 VAL MG1 . . . 443 . HB* . . . . . 445 . HG* . . c16596_2kqe 1 520 2 OR . 1 1 81 81 LEU HB3 H . . . 1 1 83 83 VAL MG1 H . . . . . 4.5 0.0 4.5 . . . . . A . 443 LEU HB3 . . A . 445 VAL MG1 . . . 443 . HB* . . . . . 445 . HG* . . c16596_2kqe 1 520 3 OR . 1 1 83 83 VAL MG2 H . . . 1 1 81 81 LEU HB2 H . . . . . 4.5 0.0 4.5 . . . . . A . 445 VAL MG2 . . A . 443 LEU HB2 . . . 445 . HG* . . . . . 443 . HB* . . c16596_2kqe 1 520 4 OR . 1 1 81 81 LEU HB3 H . . . 1 1 83 83 VAL MG2 H . . . . . 4.5 0.0 4.5 . . . . . A . 443 LEU HB3 . . A . 445 VAL MG2 . . . 443 . HB* . . . . . 445 . HG* . . c16596_2kqe 1 521 1 . . 1 1 82 82 PRO HA H . . . 1 1 83 83 VAL H H . . . . . 2.6 0.0 2.6 . . . . . A . 444 PRO HA . . A . 445 VAL H . . . 444 . HA . . . . . 445 . HN . . c16596_2kqe 1 522 1 . . 1 1 82 82 PRO HA H . . . 1 1 83 83 VAL HA H . . . . . 4.5 0.0 4.5 . . . . . A . 444 PRO HA . . A . 445 VAL HA . . . 444 . HA . . . . . 445 . HA . . c16596_2kqe 1 523 1 OR . 1 1 82 82 PRO HA H . . . 1 1 83 83 VAL MG1 H . . . . . 4.7 0.0 4.7 . . . . . A . 444 PRO HA . . A . 445 VAL MG1 . . . 444 . HA . . . . . 445 . HG* . . c16596_2kqe 1 523 2 OR . 1 1 82 82 PRO HA H . . . 1 1 83 83 VAL MG2 H . . . . . 4.7 0.0 4.7 . . . . . A . 444 PRO HA . . A . 445 VAL MG2 . . . 444 . HA . . . . . 445 . HG* . . c16596_2kqe 1 524 1 OR . 1 1 83 83 VAL H H . . . 1 1 82 82 PRO HB2 H . . . . . 4.2 0.0 4.2 . . . . . A . 445 VAL H . . A . 444 PRO HB2 . . . 445 . HN . . . . . 444 . HB* . . c16596_2kqe 1 524 2 OR . 1 1 83 83 VAL H H . . . 1 1 82 82 PRO HB3 H . . . . . 4.2 0.0 4.2 . . . . . A . 445 VAL H . . A . 444 PRO HB3 . . . 445 . HN . . . . . 444 . HB* . . c16596_2kqe 1 525 1 OR . 1 1 82 82 PRO HB3 H . . . 1 1 83 83 VAL MG1 H . . . . . 5.0 0.0 5.0 . . . . . A . 444 PRO HB3 . . A . 445 VAL MG1 . . . 444 . HB* . . . . . 445 . HG* . . c16596_2kqe 1 525 2 OR . 1 1 82 82 PRO HB2 H . . . 1 1 83 83 VAL MG1 H . . . . . 5.0 0.0 5.0 . . . . . A . 444 PRO HB2 . . A . 445 VAL MG1 . . . 444 . HB* . . . . . 445 . HG* . . c16596_2kqe 1 525 3 OR . 1 1 83 83 VAL MG2 H . . . 1 1 82 82 PRO HB2 H . . . . . 5.0 0.0 5.0 . . . . . A . 445 VAL MG2 . . A . 444 PRO HB2 . . . 445 . HG* . . . . . 444 . HB* . . c16596_2kqe 1 525 4 OR . 1 1 83 83 VAL MG2 H . . . 1 1 82 82 PRO HB3 H . . . . . 5.0 0.0 5.0 . . . . . A . 445 VAL MG2 . . A . 444 PRO HB3 . . . 445 . HG* . . . . . 444 . HB* . . c16596_2kqe 1 526 1 OR . 1 1 83 83 VAL H H . . . 1 1 82 82 PRO HD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 445 VAL H . . A . 444 PRO HD2 . . . 445 . HN . . . . . 444 . HD* . . c16596_2kqe 1 526 2 OR . 1 1 82 82 PRO HD3 H . . . 1 1 83 83 VAL H H . . . . . 5.5 0.0 5.5 . . . . . A . 444 PRO HD3 . . A . 445 VAL H . . . 444 . HD* . . . . . 445 . HN . . c16596_2kqe 1 527 1 . . 1 1 82 82 PRO HA H . . . 1 1 84 84 ARG H H . . . . . 5.2 0.0 5.2 . . . . . A . 444 PRO HA . . A . 446 ARG H . . . 444 . HA . . . . . 446 . HN . . c16596_2kqe 1 528 1 OR . 1 1 82 82 PRO HB2 H . . . 1 1 84 84 ARG HG2 H . . . . . 4.6 0.0 4.6 . . . . . A . 444 PRO HB2 . . A . 446 ARG HG2 . . . 444 . HB* . . . . . 446 . HG* . . c16596_2kqe 1 528 2 OR . 1 1 82 82 PRO HB3 H . . . 1 1 84 84 ARG HG2 H . . . . . 4.6 0.0 4.6 . . . . . A . 444 PRO HB3 . . A . 446 ARG HG2 . . . 444 . HB* . . . . . 446 . HG* . . c16596_2kqe 1 528 3 OR . 1 1 84 84 ARG HG3 H . . . 1 1 82 82 PRO HB2 H . . . . . 4.6 0.0 4.6 . . . . . A . 446 ARG HG3 . . A . 444 PRO HB2 . . . 446 . HG* . . . . . 444 . HB* . . c16596_2kqe 1 528 4 OR . 1 1 82 82 PRO HB3 H . . . 1 1 84 84 ARG HG3 H . . . . . 4.6 0.0 4.6 . . . . . A . 444 PRO HB3 . . A . 446 ARG HG3 . . . 444 . HB* . . . . . 446 . HG* . . c16596_2kqe 1 529 1 . . 1 1 82 82 PRO HA H . . . 1 1 85 85 ASN H H . . . . . 5.3 0.0 5.3 . . . . . A . 444 PRO HA . . A . 447 ASN H . . . 444 . HA . . . . . 447 . HN . . c16596_2kqe 1 530 1 . . 1 1 83 83 VAL H H . . . 1 1 83 83 VAL HB H . . . . . 3.4 0.0 3.4 . . . . . A . 445 VAL H . . A . 445 VAL HB . . . 445 . HN . . . . . 445 . HB . . c16596_2kqe 1 531 1 OR . 1 1 83 83 VAL H H . . . 1 1 83 83 VAL MG1 H . . . . . 3.8 0.0 3.8 . . . . . A . 445 VAL H . . A . 445 VAL MG1 . . . 445 . HN . . . . . 445 . HG* . . c16596_2kqe 1 531 2 OR . 1 1 83 83 VAL MG2 H . . . 1 1 83 83 VAL H H . . . . . 3.8 0.0 3.8 . . . . . A . 445 VAL MG2 . . A . 445 VAL H . . . 445 . HG* . . . . . 445 . HN . . c16596_2kqe 1 532 1 OR . 1 1 83 83 VAL HA H . . . 1 1 83 83 VAL MG1 H . . . . . 3.4 0.0 3.4 . . . . . A . 445 VAL HA . . A . 445 VAL MG1 . . . 445 . HA . . . . . 445 . HG* . . c16596_2kqe 1 532 2 OR . 1 1 83 83 VAL MG2 H . . . 1 1 83 83 VAL HA H . . . . . 3.4 0.0 3.4 . . . . . A . 445 VAL MG2 . . A . 445 VAL HA . . . 445 . HG* . . . . . 445 . HA . . c16596_2kqe 1 533 1 . . 1 1 83 83 VAL H H . . . 1 1 84 84 ARG H H . . . . . 3.9 0.0 3.9 . . . . . A . 445 VAL H . . A . 446 ARG H . . . 445 . HN . . . . . 446 . HN . . c16596_2kqe 1 534 1 . . 1 1 83 83 VAL HA H . . . 1 1 84 84 ARG H H . . . . . 2.7 0.0 2.7 . . . . . A . 445 VAL HA . . A . 446 ARG H . . . 445 . HA . . . . . 446 . HN . . c16596_2kqe 1 535 1 . . 1 1 84 84 ARG H H . . . 1 1 83 83 VAL HB H . . . . . 4.7 0.0 4.7 . . . . . A . 446 ARG H . . A . 445 VAL HB . . . 446 . HN . . . . . 445 . HB . . c16596_2kqe 1 536 1 . . 1 1 83 83 VAL HB H . . . 1 1 84 84 ARG HA H . . . . . 5.5 0.0 5.5 . . . . . A . 445 VAL HB . . A . 446 ARG HA . . . 445 . HB . . . . . 446 . HA . . c16596_2kqe 1 537 1 OR . 1 1 84 84 ARG HA H . . . 1 1 83 83 VAL MG1 H . . . . . 4.8 0.0 4.8 . . . . . A . 446 ARG HA . . A . 445 VAL MG1 . . . 446 . HA . . . . . 445 . HG* . . c16596_2kqe 1 537 2 OR . 1 1 83 83 VAL MG2 H . . . 1 1 84 84 ARG HA H . . . . . 4.8 0.0 4.8 . . . . . A . 445 VAL MG2 . . A . 446 ARG HA . . . 445 . HG* . . . . . 446 . HA . . c16596_2kqe 1 538 1 OR . 1 1 83 83 VAL MG2 H . . . 1 1 84 84 ARG HB2 H . . . . . 4.2 0.0 4.2 . . . . . A . 445 VAL MG2 . . A . 446 ARG HB2 . . . 445 . HG* . . . . . 446 . HB* . . c16596_2kqe 1 538 2 OR . 1 1 83 83 VAL MG1 H . . . 1 1 84 84 ARG HB2 H . . . . . 4.2 0.0 4.2 . . . . . A . 445 VAL MG1 . . A . 446 ARG HB2 . . . 445 . HG* . . . . . 446 . HB* . . c16596_2kqe 1 538 3 OR . 1 1 84 84 ARG HB3 H . . . 1 1 83 83 VAL MG1 H . . . . . 4.2 0.0 4.2 . . . . . A . 446 ARG HB3 . . A . 445 VAL MG1 . . . 446 . HB* . . . . . 445 . HG* . . c16596_2kqe 1 538 4 OR . 1 1 83 83 VAL MG2 H . . . 1 1 84 84 ARG HB3 H . . . . . 4.2 0.0 4.2 . . . . . A . 445 VAL MG2 . . A . 446 ARG HB3 . . . 445 . HG* . . . . . 446 . HB* . . c16596_2kqe 1 539 1 OR . 1 1 83 83 VAL MG2 H . . . 1 1 84 84 ARG HD2 H . . . . . 5.4 0.0 5.4 . . . . . A . 445 VAL MG2 . . A . 446 ARG HD2 . . . 445 . HG* . . . . . 446 . HD* . . c16596_2kqe 1 539 2 OR . 1 1 83 83 VAL MG1 H . . . 1 1 84 84 ARG HD2 H . . . . . 5.4 0.0 5.4 . . . . . A . 445 VAL MG1 . . A . 446 ARG HD2 . . . 445 . HG* . . . . . 446 . HD* . . c16596_2kqe 1 539 3 OR . 1 1 84 84 ARG HD3 H . . . 1 1 83 83 VAL MG1 H . . . . . 5.4 0.0 5.4 . . . . . A . 446 ARG HD3 . . A . 445 VAL MG1 . . . 446 . HD* . . . . . 445 . HG* . . c16596_2kqe 1 539 4 OR . 1 1 83 83 VAL MG2 H . . . 1 1 84 84 ARG HD3 H . . . . . 5.4 0.0 5.4 . . . . . A . 445 VAL MG2 . . A . 446 ARG HD3 . . . 445 . HG* . . . . . 446 . HD* . . c16596_2kqe 1 540 1 . . 1 1 83 83 VAL H H . . . 1 1 85 85 ASN H H . . . . . 3.8 0.0 3.8 . . . . . A . 445 VAL H . . A . 447 ASN H . . . 445 . HN . . . . . 447 . HN . . c16596_2kqe 1 541 1 OR . 1 1 84 84 ARG H H . . . 1 1 84 84 ARG HB2 H . . . . . 3.7 0.0 3.7 . . . . . A . 446 ARG H . . A . 446 ARG HB2 . . . 446 . HN . . . . . 446 . HB* . . c16596_2kqe 1 541 2 OR . 1 1 84 84 ARG H H . . . 1 1 84 84 ARG HB3 H . . . . . 3.7 0.0 3.7 . . . . . A . 446 ARG H . . A . 446 ARG HB3 . . . 446 . HN . . . . . 446 . HB* . . c16596_2kqe 1 542 1 OR . 1 1 84 84 ARG H H . . . 1 1 84 84 ARG HG2 H . . . . . 4.7 0.0 4.7 . . . . . A . 446 ARG H . . A . 446 ARG HG2 . . . 446 . HN . . . . . 446 . HG* . . c16596_2kqe 1 542 2 OR . 1 1 84 84 ARG H H . . . 1 1 84 84 ARG HG3 H . . . . . 4.7 0.0 4.7 . . . . . A . 446 ARG H . . A . 446 ARG HG3 . . . 446 . HN . . . . . 446 . HG* . . c16596_2kqe 1 543 1 OR . 1 1 84 84 ARG HA H . . . 1 1 84 84 ARG HD2 H . . . . . 5.0 0.0 5.0 . . . . . A . 446 ARG HA . . A . 446 ARG HD2 . . . 446 . HA . . . . . 446 . HD* . . c16596_2kqe 1 543 2 OR . 1 1 84 84 ARG HA H . . . 1 1 84 84 ARG HD3 H . . . . . 5.0 0.0 5.0 . . . . . A . 446 ARG HA . . A . 446 ARG HD3 . . . 446 . HA . . . . . 446 . HD* . . c16596_2kqe 1 544 1 OR . 1 1 84 84 ARG HB3 H . . . 1 1 84 84 ARG HG2 H . . . . . 2.9 0.0 2.9 . . . . . A . 446 ARG HB3 . . A . 446 ARG HG2 . . . 446 . HB* . . . . . 446 . HG* . . c16596_2kqe 1 544 2 OR . 1 1 84 84 ARG HB2 H . . . 1 1 84 84 ARG HG2 H . . . . . 2.9 0.0 2.9 . . . . . A . 446 ARG HB2 . . A . 446 ARG HG2 . . . 446 . HB* . . . . . 446 . HG* . . c16596_2kqe 1 544 3 OR . 1 1 84 84 ARG HG3 H . . . 1 1 84 84 ARG HB2 H . . . . . 2.9 0.0 2.9 . . . . . A . 446 ARG HG3 . . A . 446 ARG HB2 . . . 446 . HG* . . . . . 446 . HB* . . c16596_2kqe 1 544 4 OR . 1 1 84 84 ARG HG3 H . . . 1 1 84 84 ARG HB3 H . . . . . 2.9 0.0 2.9 . . . . . A . 446 ARG HG3 . . A . 446 ARG HB3 . . . 446 . HG* . . . . . 446 . HB* . . c16596_2kqe 1 545 1 . . 1 1 84 84 ARG H H . . . 1 1 85 85 ASN H H . . . . . 4.6 0.0 4.6 . . . . . A . 446 ARG H . . A . 447 ASN H . . . 446 . HN . . . . . 447 . HN . . c16596_2kqe 1 546 1 . . 1 1 84 84 ARG H H . . . 1 1 85 85 ASN HA H . . . . . 5.2 0.0 5.2 . . . . . A . 446 ARG H . . A . 447 ASN HA . . . 446 . HN . . . . . 447 . HA . . c16596_2kqe 1 547 1 OR . 1 1 85 85 ASN H H . . . 1 1 84 84 ARG HB2 H . . . . . 4.8 0.0 4.8 . . . . . A . 447 ASN H . . A . 446 ARG HB2 . . . 447 . HN . . . . . 446 . HB* . . c16596_2kqe 1 547 2 OR . 1 1 85 85 ASN H H . . . 1 1 84 84 ARG HB3 H . . . . . 4.8 0.0 4.8 . . . . . A . 447 ASN H . . A . 446 ARG HB3 . . . 447 . HN . . . . . 446 . HB* . . c16596_2kqe 1 548 1 OR . 1 1 85 85 ASN HD21 H . . . 1 1 84 84 ARG HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 447 ASN HD21 . . A . 446 ARG HB2 . . . 447 . HD21 . . . . . 446 . HB* . . c16596_2kqe 1 548 2 OR . 1 1 84 84 ARG HB3 H . . . 1 1 85 85 ASN HD21 H . . . . . 5.5 0.0 5.5 . . . . . A . 446 ARG HB3 . . A . 447 ASN HD21 . . . 446 . HB* . . . . . 447 . HD21 . . c16596_2kqe 1 549 1 . . 1 1 84 84 ARG HA H . . . 1 1 86 86 VAL H H . . . . . 4.8 0.0 4.8 . . . . . A . 446 ARG HA . . A . 448 VAL H . . . 446 . HA . . . . . 448 . HN . . c16596_2kqe 1 550 1 OR . 1 1 85 85 ASN H H . . . 1 1 85 85 ASN HB2 H . . . . . 4.1 0.0 4.1 . . . . . A . 447 ASN H . . A . 447 ASN HB2 . . . 447 . HN . . . . . 447 . HB* . . c16596_2kqe 1 550 2 OR . 1 1 85 85 ASN H H . . . 1 1 85 85 ASN HB3 H . . . . . 4.1 0.0 4.1 . . . . . A . 447 ASN H . . A . 447 ASN HB3 . . . 447 . HN . . . . . 447 . HB* . . c16596_2kqe 1 551 1 . . 1 1 85 85 ASN H H . . . 1 1 85 85 ASN HD21 H . . . . . 5.2 0.0 5.2 . . . . . A . 447 ASN H . . A . 447 ASN HD21 . . . 447 . HN . . . . . 447 . HD21 . . c16596_2kqe 1 552 1 . . 1 1 85 85 ASN HA H . . . 1 1 85 85 ASN HD21 H . . . . . 5.4 0.0 5.4 . . . . . A . 447 ASN HA . . A . 447 ASN HD21 . . . 447 . HA . . . . . 447 . HD21 . . c16596_2kqe 1 553 1 . . 1 1 85 85 ASN HA H . . . 1 1 85 85 ASN HD22 H . . . . . 5.1 0.0 5.1 . . . . . A . 447 ASN HA . . A . 447 ASN HD22 . . . 447 . HA . . . . . 447 . HD22 . . c16596_2kqe 1 554 1 . . 1 1 85 85 ASN H H . . . 1 1 86 86 VAL H H . . . . . 4.5 0.0 4.5 . . . . . A . 447 ASN H . . A . 448 VAL H . . . 447 . HN . . . . . 448 . HN . . c16596_2kqe 1 555 1 . . 1 1 85 85 ASN H H . . . 1 1 86 86 VAL HA H . . . . . 5.2 0.0 5.2 . . . . . A . 447 ASN H . . A . 448 VAL HA . . . 447 . HN . . . . . 448 . HA . . c16596_2kqe 1 556 1 OR . 1 1 85 85 ASN H H . . . 1 1 86 86 VAL MG1 H . . . . . 5.5 0.0 5.5 . . . . . A . 447 ASN H . . A . 448 VAL MG1 . . . 447 . HN . . . . . 448 . HG* . . c16596_2kqe 1 556 2 OR . 1 1 85 85 ASN H H . . . 1 1 86 86 VAL MG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 447 ASN H . . A . 448 VAL MG2 . . . 447 . HN . . . . . 448 . HG* . . c16596_2kqe 1 557 1 . . 1 1 85 85 ASN HA H . . . 1 1 86 86 VAL H H . . . . . 3.0 0.0 3.0 . . . . . A . 447 ASN HA . . A . 448 VAL H . . . 447 . HA . . . . . 448 . HN . . c16596_2kqe 1 558 1 OR . 1 1 85 85 ASN HA H . . . 1 1 86 86 VAL MG1 H . . . . . 5.0 0.0 5.0 . . . . . A . 447 ASN HA . . A . 448 VAL MG1 . . . 447 . HA . . . . . 448 . HG* . . c16596_2kqe 1 558 2 OR . 1 1 85 85 ASN HA H . . . 1 1 86 86 VAL MG2 H . . . . . 5.0 0.0 5.0 . . . . . A . 447 ASN HA . . A . 448 VAL MG2 . . . 447 . HA . . . . . 448 . HG* . . c16596_2kqe 1 559 1 OR . 1 1 86 86 VAL H H . . . 1 1 85 85 ASN HB2 H . . . . . 4.6 0.0 4.6 . . . . . A . 448 VAL H . . A . 447 ASN HB2 . . . 448 . HN . . . . . 447 . HB* . . c16596_2kqe 1 559 2 OR . 1 1 86 86 VAL H H . . . 1 1 85 85 ASN HB3 H . . . . . 4.6 0.0 4.6 . . . . . A . 448 VAL H . . A . 447 ASN HB3 . . . 448 . HN . . . . . 447 . HB* . . c16596_2kqe 1 560 1 . . 1 1 85 85 ASN HD21 H . . . 1 1 86 86 VAL H H . . . . . 5.5 0.0 5.5 . . . . . A . 447 ASN HD21 . . A . 448 VAL H . . . 447 . HD21 . . . . . 448 . HN . . c16596_2kqe 1 561 1 . . 1 1 85 85 ASN HA H . . . 1 1 87 87 LEU H H . . . . . 5.2 0.0 5.2 . . . . . A . 447 ASN HA . . A . 449 LEU H . . . 447 . HA . . . . . 449 . HN . . c16596_2kqe 1 562 1 OR . 1 1 87 87 LEU H H . . . 1 1 85 85 ASN HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 449 LEU H . . A . 447 ASN HB2 . . . 449 . HN . . . . . 447 . HB* . . c16596_2kqe 1 562 2 OR . 1 1 85 85 ASN HB3 H . . . 1 1 87 87 LEU H H . . . . . 5.5 0.0 5.5 . . . . . A . 447 ASN HB3 . . A . 449 LEU H . . . 447 . HB* . . . . . 449 . HN . . c16596_2kqe 1 563 1 . . 1 1 85 85 ASN HA H . . . 1 1 88 88 ASP H H . . . . . 4.6 0.0 4.6 . . . . . A . 447 ASN HA . . A . 450 ASP H . . . 447 . HA . . . . . 450 . HN . . c16596_2kqe 1 564 1 . . 1 1 85 85 ASN HD21 H . . . 1 1 88 88 ASP H H . . . . . 5.5 0.0 5.5 . . . . . A . 447 ASN HD21 . . A . 450 ASP H . . . 447 . HD21 . . . . . 450 . HN . . c16596_2kqe 1 565 1 . . 1 1 85 85 ASN HD22 H . . . 1 1 88 88 ASP H H . . . . . 5.5 0.0 5.5 . . . . . A . 447 ASN HD22 . . A . 450 ASP H . . . 447 . HD22 . . . . . 450 . HN . . c16596_2kqe 1 566 1 . . 1 1 85 85 ASN HD21 H . . . 1 1 88 88 ASP HA H . . . . . 5.5 0.0 5.5 . . . . . A . 447 ASN HD21 . . A . 450 ASP HA . . . 447 . HD21 . . . . . 450 . HA . . c16596_2kqe 1 567 1 . . 1 1 86 86 VAL H H . . . 1 1 86 86 VAL HB H . . . . . 3.6 0.0 3.6 . . . . . A . 448 VAL H . . A . 448 VAL HB . . . 448 . HN . . . . . 448 . HB . . c16596_2kqe 1 568 1 OR . 1 1 86 86 VAL H H . . . 1 1 86 86 VAL MG1 H . . . . . 3.7 0.0 3.7 . . . . . A . 448 VAL H . . A . 448 VAL MG1 . . . 448 . HN . . . . . 448 . HG* . . c16596_2kqe 1 568 2 OR . 1 1 86 86 VAL H H . . . 1 1 86 86 VAL MG2 H . . . . . 3.7 0.0 3.7 . . . . . A . 448 VAL H . . A . 448 VAL MG2 . . . 448 . HN . . . . . 448 . HG* . . c16596_2kqe 1 569 1 OR . 1 1 86 86 VAL HA H . . . 1 1 86 86 VAL MG1 H . . . . . 3.4 0.0 3.4 . . . . . A . 448 VAL HA . . A . 448 VAL MG1 . . . 448 . HA . . . . . 448 . HG* . . c16596_2kqe 1 569 2 OR . 1 1 86 86 VAL HA H . . . 1 1 86 86 VAL MG2 H . . . . . 3.4 0.0 3.4 . . . . . A . 448 VAL HA . . A . 448 VAL MG2 . . . 448 . HA . . . . . 448 . HG* . . c16596_2kqe 1 570 1 . . 1 1 86 86 VAL H H . . . 1 1 87 87 LEU H H . . . . . 3.4 0.0 3.4 . . . . . A . 448 VAL H . . A . 449 LEU H . . . 448 . HN . . . . . 449 . HN . . c16596_2kqe 1 571 1 OR . 1 1 86 86 VAL H H . . . 1 1 87 87 LEU HB2 H . . . . . 5.5 0.0 5.5 . . . . . A . 448 VAL H . . A . 449 LEU HB2 . . . 448 . HN . . . . . 449 . HB* . . c16596_2kqe 1 571 2 OR . 1 1 86 86 VAL H H . . . 1 1 87 87 LEU HB3 H . . . . . 5.5 0.0 5.5 . . . . . A . 448 VAL H . . A . 449 LEU HB3 . . . 448 . HN . . . . . 449 . HB* . . c16596_2kqe 1 572 1 . . 1 1 86 86 VAL HA H . . . 1 1 87 87 LEU H H . . . . . 3.0 0.0 3.0 . . . . . A . 448 VAL HA . . A . 449 LEU H . . . 448 . HA . . . . . 449 . HN . . c16596_2kqe 1 573 1 . . 1 1 86 86 VAL HA H . . . 1 1 87 87 LEU HA H . . . . . 4.6 0.0 4.6 . . . . . A . 448 VAL HA . . A . 449 LEU HA . . . 448 . HA . . . . . 449 . HA . . c16596_2kqe 1 574 1 . . 1 1 87 87 LEU H H . . . 1 1 86 86 VAL HB H . . . . . 4.4 0.0 4.4 . . . . . A . 449 LEU H . . A . 448 VAL HB . . . 449 . HN . . . . . 448 . HB . . c16596_2kqe 1 575 1 OR . 1 1 86 86 VAL HB H . . . 1 1 87 87 LEU MD1 H . . . . . 5.0 0.0 5.0 . . . . . A . 448 VAL HB . . A . 449 LEU MD1 . . . 448 . HB . . . . . 449 . HD* . . c16596_2kqe 1 575 2 OR . 1 1 86 86 VAL HB H . . . 1 1 87 87 LEU MD2 H . . . . . 5.0 0.0 5.0 . . . . . A . 448 VAL HB . . A . 449 LEU MD2 . . . 448 . HB . . . . . 449 . HD* . . c16596_2kqe 1 576 1 . . 1 1 86 86 VAL H H . . . 1 1 88 88 ASP HA H . . . . . 5.5 0.0 5.5 . . . . . A . 448 VAL H . . A . 450 ASP HA . . . 448 . HN . . . . . 450 . HA . . c16596_2kqe 1 577 1 . . 1 1 86 86 VAL HA H . . . 1 1 88 88 ASP H H . . . . . 5.3 0.0 5.3 . . . . . A . 448 VAL HA . . A . 450 ASP H . . . 448 . HA . . . . . 450 . HN . . c16596_2kqe 1 578 1 OR . 1 1 87 87 LEU H H . . . 1 1 87 87 LEU HB2 H . . . . . 3.7 0.0 3.7 . . . . . A . 449 LEU H . . A . 449 LEU HB2 . . . 449 . HN . . . . . 449 . HB* . . c16596_2kqe 1 578 2 OR . 1 1 87 87 LEU H H . . . 1 1 87 87 LEU HB3 H . . . . . 3.7 0.0 3.7 . . . . . A . 449 LEU H . . A . 449 LEU HB3 . . . 449 . HN . . . . . 449 . HB* . . c16596_2kqe 1 579 1 . . 1 1 87 87 LEU H H . . . 1 1 87 87 LEU HG H . . . . . 5.0 0.0 5.0 . . . . . A . 449 LEU H . . A . 449 LEU HG . . . 449 . HN . . . . . 449 . HG . . c16596_2kqe 1 580 1 OR . 1 1 87 87 LEU H H . . . 1 1 87 87 LEU MD1 H . . . . . 5.5 0.0 5.5 . . . . . A . 449 LEU H . . A . 449 LEU MD1 . . . 449 . HN . . . . . 449 . HD* . . c16596_2kqe 1 580 2 OR . 1 1 87 87 LEU H H . . . 1 1 87 87 LEU MD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 449 LEU H . . A . 449 LEU MD2 . . . 449 . HN . . . . . 449 . HD* . . c16596_2kqe 1 581 1 OR . 1 1 87 87 LEU HA H . . . 1 1 87 87 LEU MD1 H . . . . . 3.8 0.0 3.8 . . . . . A . 449 LEU HA . . A . 449 LEU MD1 . . . 449 . HA . . . . . 449 . HD* . . c16596_2kqe 1 581 2 OR . 1 1 87 87 LEU HA H . . . 1 1 87 87 LEU MD2 H . . . . . 3.8 0.0 3.8 . . . . . A . 449 LEU HA . . A . 449 LEU MD2 . . . 449 . HA . . . . . 449 . HD* . . c16596_2kqe 1 582 1 . . 1 1 87 87 LEU H H . . . 1 1 88 88 ASP H H . . . . . 4.4 0.0 4.4 . . . . . A . 449 LEU H . . A . 450 ASP H . . . 449 . HN . . . . . 450 . HN . . c16596_2kqe 1 583 1 . . 1 1 88 88 ASP H H . . . 1 1 87 87 LEU HA H . . . . . 3.3 0.0 3.3 . . . . . A . 450 ASP H . . A . 449 LEU HA . . . 450 . HN . . . . . 449 . HA . . c16596_2kqe 1 584 1 OR . 1 1 88 88 ASP H H . . . 1 1 87 87 LEU HB2 H . . . . . 4.6 0.0 4.6 . . . . . A . 450 ASP H . . A . 449 LEU HB2 . . . 450 . HN . . . . . 449 . HB* . . c16596_2kqe 1 584 2 OR . 1 1 88 88 ASP H H . . . 1 1 87 87 LEU HB3 H . . . . . 4.6 0.0 4.6 . . . . . A . 450 ASP H . . A . 449 LEU HB3 . . . 450 . HN . . . . . 449 . HB* . . c16596_2kqe 1 585 1 OR . 1 1 88 88 ASP H H . . . 1 1 87 87 LEU MD1 H . . . . . 5.5 0.0 5.5 . . . . . A . 450 ASP H . . A . 449 LEU MD1 . . . 450 . HN . . . . . 449 . HD* . . c16596_2kqe 1 585 2 OR . 1 1 88 88 ASP H H . . . 1 1 87 87 LEU MD2 H . . . . . 5.5 0.0 5.5 . . . . . A . 450 ASP H . . A . 449 LEU MD2 . . . 450 . HN . . . . . 449 . HD* . . c16596_2kqe 1 586 1 OR . 1 1 87 87 LEU H H . . . 1 1 89 89 GLU HG2 H . . . . . 5.5 0.0 5.5 . . . . . A . 449 LEU H . . A . 451 GLU HG2 . . . 449 . HN . . . . . 451 . HG* . . c16596_2kqe 1 586 2 OR . 1 1 87 87 LEU H H . . . 1 1 89 89 GLU HG3 H . . . . . 5.5 0.0 5.5 . . . . . A . 449 LEU H . . A . 451 GLU HG3 . . . 449 . HN . . . . . 451 . HG* . . c16596_2kqe 1 587 1 OR . 1 1 87 87 LEU HB3 H . . . 1 1 89 89 GLU HG2 H . . . . . 4.5 0.0 4.5 . . . . . A . 449 LEU HB3 . . A . 451 GLU HG2 . . . 449 . HB* . . . . . 451 . HG* . . c16596_2kqe 1 587 2 OR . 1 1 87 87 LEU HB2 H . . . 1 1 89 89 GLU HG2 H . . . . . 4.5 0.0 4.5 . . . . . A . 449 LEU HB2 . . A . 451 GLU HG2 . . . 449 . HB* . . . . . 451 . HG* . . c16596_2kqe 1 587 3 OR . 1 1 89 89 GLU HG3 H . . . 1 1 87 87 LEU HB2 H . . . . . 4.5 0.0 4.5 . . . . . A . 451 GLU HG3 . . A . 449 LEU HB2 . . . 451 . HG* . . . . . 449 . HB* . . c16596_2kqe 1 587 4 OR . 1 1 87 87 LEU HB3 H . . . 1 1 89 89 GLU HG3 H . . . . . 4.5 0.0 4.5 . . . . . A . 449 LEU HB3 . . A . 451 GLU HG3 . . . 449 . HB* . . . . . 451 . HG* . . c16596_2kqe 1 588 1 OR . 1 1 89 89 GLU HA H . . . 1 1 87 87 LEU MD1 H . . . . . 4.9 0.0 4.9 . . . . . A . 451 GLU HA . . A . 449 LEU MD1 . . . 451 . HA . . . . . 449 . HD* . . c16596_2kqe 1 588 2 OR . 1 1 87 87 LEU MD2 H . . . 1 1 89 89 GLU HA H . . . . . 4.9 0.0 4.9 . . . . . A . 449 LEU MD2 . . A . 451 GLU HA . . . 449 . HD* . . . . . 451 . HA . . c16596_2kqe 1 589 1 OR . 1 1 87 87 LEU MD2 H . . . 1 1 89 89 GLU HG2 H . . . . . 5.3 0.0 5.3 . . . . . A . 449 LEU MD2 . . A . 451 GLU HG2 . . . 449 . HD* . . . . . 451 . HG* . . c16596_2kqe 1 589 2 OR . 1 1 87 87 LEU MD1 H . . . 1 1 89 89 GLU HG2 H . . . . . 5.3 0.0 5.3 . . . . . A . 449 LEU MD1 . . A . 451 GLU HG2 . . . 449 . HD* . . . . . 451 . HG* . . c16596_2kqe 1 589 3 OR . 1 1 89 89 GLU HG3 H . . . 1 1 87 87 LEU MD1 H . . . . . 5.3 0.0 5.3 . . . . . A . 451 GLU HG3 . . A . 449 LEU MD1 . . . 451 . HG* . . . . . 449 . HD* . . c16596_2kqe 1 589 4 OR . 1 1 87 87 LEU MD2 H . . . 1 1 89 89 GLU HG3 H . . . . . 5.3 0.0 5.3 . . . . . A . 449 LEU MD2 . . A . 451 GLU HG3 . . . 449 . HD* . . . . . 451 . HG* . . c16596_2kqe 1 590 1 OR . 1 1 88 88 ASP H H . . . 1 1 88 88 ASP HB2 H . . . . . 4.0 0.0 4.0 . . . . . A . 450 ASP H . . A . 450 ASP HB2 . . . 450 . HN . . . . . 450 . HB* . . c16596_2kqe 1 590 2 OR . 1 1 88 88 ASP H H . . . 1 1 88 88 ASP HB3 H . . . . . 4.0 0.0 4.0 . . . . . A . 450 ASP H . . A . 450 ASP HB3 . . . 450 . HN . . . . . 450 . HB* . . c16596_2kqe 1 591 1 . . 1 1 88 88 ASP H H . . . 1 1 89 89 GLU H H . . . . . 4.2 0.0 4.2 . . . . . A . 450 ASP H . . A . 451 GLU H . . . 450 . HN . . . . . 451 . HN . . c16596_2kqe 1 592 1 OR . 1 1 89 89 GLU H H . . . 1 1 88 88 ASP HB2 H . . . . . 5.2 0.0 5.2 . . . . . A . 451 GLU H . . A . 450 ASP HB2 . . . 451 . HN . . . . . 450 . HB* . . c16596_2kqe 1 592 2 OR . 1 1 88 88 ASP HB3 H . . . 1 1 89 89 GLU H H . . . . . 5.2 0.0 5.2 . . . . . A . 450 ASP HB3 . . A . 451 GLU H . . . 450 . HB* . . . . . 451 . HN . . c16596_2kqe 1 593 1 OR . 1 1 89 89 GLU HA H . . . 1 1 89 89 GLU HG2 H . . . . . 4.3 0.0 4.3 . . . . . A . 451 GLU HA . . A . 451 GLU HG2 . . . 451 . HA . . . . . 451 . HG* . . c16596_2kqe 1 593 2 OR . 1 1 89 89 GLU HG3 H . . . 1 1 89 89 GLU HA H . . . . . 4.3 0.0 4.3 . . . . . A . 451 GLU HG3 . . A . 451 GLU HA . . . 451 . HG* . . . . . 451 . HA . . c16596_2kqe 1 594 1 OR . 1 1 89 89 GLU HB2 H . . . 1 1 89 89 GLU HG2 H . . . . . 2.6 0.0 2.6 . . . . . A . 451 GLU HB2 . . A . 451 GLU HG2 . . . 451 . HB* . . . . . 451 . HG* . . c16596_2kqe 1 594 2 OR . 1 1 89 89 GLU HB3 H . . . 1 1 89 89 GLU HG2 H . . . . . 2.6 0.0 2.6 . . . . . A . 451 GLU HB3 . . A . 451 GLU HG2 . . . 451 . HB* . . . . . 451 . HG* . . c16596_2kqe 1 594 3 OR . 1 1 89 89 GLU HG3 H . . . 1 1 89 89 GLU HB2 H . . . . . 2.6 0.0 2.6 . . . . . A . 451 GLU HG3 . . A . 451 GLU HB2 . . . 451 . HG* . . . . . 451 . HB* . . c16596_2kqe 1 594 4 OR . 1 1 89 89 GLU HG3 H . . . 1 1 89 89 GLU HB3 H . . . . . 2.6 0.0 2.6 . . . . . A . 451 GLU HG3 . . A . 451 GLU HB3 . . . 451 . HG* . . . . . 451 . HB* . . c16596_2kqe 1 595 1 OR . 1 1 89 89 GLU HB2 H . . . 1 1 89 89 GLU HG2 H . . . . . 3.0 0.0 3.0 . . . . . A . 451 GLU HB2 . . A . 451 GLU HG2 . . . 451 . HB* . . . . . 451 . HG* . . c16596_2kqe 1 595 2 OR . 1 1 89 89 GLU HB3 H . . . 1 1 89 89 GLU HG2 H . . . . . 3.0 0.0 3.0 . . . . . A . 451 GLU HB3 . . A . 451 GLU HG2 . . . 451 . HB* . . . . . 451 . HG* . . c16596_2kqe 1 595 3 OR . 1 1 89 89 GLU HG3 H . . . 1 1 89 89 GLU HB2 H . . . . . 3.0 0.0 3.0 . . . . . A . 451 GLU HG3 . . A . 451 GLU HB2 . . . 451 . HG* . . . . . 451 . HB* . . c16596_2kqe 1 595 4 OR . 1 1 89 89 GLU HG3 H . . . 1 1 89 89 GLU HB3 H . . . . . 3.0 0.0 3.0 . . . . . A . 451 GLU HG3 . . A . 451 GLU HB3 . . . 451 . HG* . . . . . 451 . HB* . . c16596_2kqe 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c16596_2kqe _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'general distance' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c16596_2kqe 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 59 59 CYS SG S . . . 1 1 65 65 CYS SG S . . . . . 3.8 3.6 3.9 . . . . . A . 421 CYS SG . . A . 427 CYS SG . . . 421 . SG . . . . . 427 . SG . . c16596_2kqe 2 2 1 . . 1 1 59 59 CYS SG S . . . 1 1 72 72 HIS NE2 N . . . . . 3.6 3.4 3.8 . . . . . A . 421 CYS SG . . A . 434 HIS NE2 . . . 421 . SG . . . . . 434 . NE2 . . c16596_2kqe 2 3 1 . . 1 1 59 59 CYS SG S . . . 1 1 78 78 HIS NE2 N . . . . . 3.6 3.4 3.8 . . . . . A . 421 CYS SG . . A . 440 HIS NE2 . . . 421 . SG . . . . . 440 . NE2 . . c16596_2kqe 2 4 1 . . 1 1 65 65 CYS SG S . . . 1 1 72 72 HIS NE2 N . . . . . 3.6 3.4 3.8 . . . . . A . 427 CYS SG . . A . 434 HIS NE2 . . . 427 . SG . . . . . 434 . NE2 . . c16596_2kqe 2 5 1 . . 1 1 65 65 CYS SG S . . . 1 1 78 78 HIS NE2 N . . . . . 3.6 3.4 3.8 . . . . . A . 427 CYS SG . . A . 440 HIS NE2 . . . 427 . SG . . . . . 440 . NE2 . . c16596_2kqe 2 6 1 . . 1 1 72 72 HIS NE2 N . . . 1 1 78 78 HIS NE2 N . . . . . 3.3 3.1 3.5 . . . . . A . 434 HIS NE2 . . A . 440 HIS NE2 . . . 434 . NE2 . . . . . 440 . NE2 . . c16596_2kqe 2 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_6 _Gen_dist_constraint_list.Entry_ID c16596_2kqe _Gen_dist_constraint_list.ID 3 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 6 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c16596_2kqe 3 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 OR . 1 1 67 67 ARG HB3 H . . . 3 3 1 1 ADN H2 H . . . . . 4.50 0.0 4.50 . . . . . A . 429 ARG HB3 . . A . 1002 ADN H2 . A . 429 . HB* . . . C . 1 . H2 . . c16596_2kqe 3 1 2 OR . 3 3 1 1 ADN H2 H . . . 1 1 67 67 ARG HB2 H . . . . . 4.50 0.0 4.50 . . . . . A . 1002 ADN H2 . . A . 429 ARG HB2 . C . 1 . H2 . . . A . 429 . HB* . . c16596_2kqe 3 2 1 OR . 1 1 67 67 ARG HG3 H . . . 3 3 1 1 ADN H2 H . . . . . 3.00 0.0 3.00 . . . . . A . 429 ARG HG3 . . A . 1002 ADN H2 . A . 429 . HG* . . . C . 1 . H2 . . c16596_2kqe 3 2 2 OR . 3 3 1 1 ADN H2 H . . . 1 1 67 67 ARG HG2 H . . . . . 3.00 0.0 3.00 . . . . . A . 1002 ADN H2 . . A . 429 ARG HG2 . C . 1 . H2 . . . A . 429 . HG* . . c16596_2kqe 3 3 1 . . 3 3 1 1 ADN H2 H . . . 1 1 66 66 TYR QD H . . . . . 3.00 0.0 3.00 . . . . . A . 1002 ADN H2 . . A . 428 TYR QD . C . 1 . H2 . . . A . 428 . HD* . . c16596_2kqe 3 4 1 . . 3 3 1 1 ADN H2 H . . . 1 1 61 61 TYR QE H . . . . . 3.00 0.0 3.00 . . . . . A . 1002 ADN H2 . . A . 423 TYR QE . C . 1 . H2 . . . A . 423 . HE* . . c16596_2kqe 3 5 1 . . 3 3 1 1 ADN H2 H . . . 1 1 61 61 TYR QD H . . . . . 3.00 0.0 3.00 . . . . . A . 1002 ADN H2 . . A . 423 TYR QD . C . 1 . H2 . . . A . 423 . HD* . . c16596_2kqe 3 6 1 . . 1 1 65 65 CYS HA H . . . 3 3 1 1 ADN H2 H . . . . . 3.00 0.0 3.00 . . . . . A . 427 CYS HA . . A . 1002 ADN H2 . A . 427 . HA . . . C . 1 . H2 . . c16596_2kqe 3 7 1 . . 3 3 1 1 ADN H2 H . . . 1 1 66 66 TYR QE H . . . . . 4.50 0.0 4.50 . . . . . A . 1002 ADN H2 . . A . 428 TYR QE . C . 1 . H2 . . . A . 428 . HE* . . c16596_2kqe 3 8 1 OR . 1 1 61 61 TYR HB3 H . . . 3 3 1 1 ADN H2 H . . . . . 3.00 0.0 3.00 . . . . . A . 423 TYR HB3 . . A . 1002 ADN H2 . A . 423 . HB* . . . C . 1 . H2 . . c16596_2kqe 3 8 2 OR . 3 3 1 1 ADN H2 H . . . 1 1 61 61 TYR HB2 H . . . . . 3.00 0.0 3.00 . . . . . A . 1002 ADN H2 . . A . 423 TYR HB2 . C . 1 . H2 . . . A . 423 . HB* . . c16596_2kqe 3 9 1 OR . 1 1 67 67 ARG HD3 H . . . 3 3 1 1 ADN H2 H . . . . . 4.50 0.0 4.50 . . . . . A . 429 ARG HD3 . . A . 1002 ADN H2 . A . 429 . HD* . . . C . 1 . H2 . . c16596_2kqe 3 9 2 OR . 3 3 1 1 ADN H2 H . . . 1 1 67 67 ARG HD2 H . . . . . 4.50 0.0 4.50 . . . . . A . 1002 ADN H2 . . A . 429 ARG HD2 . C . 1 . H2 . . . A . 429 . HD* . . c16596_2kqe 3 10 1 . . 1 1 61 61 TYR QE H . . . 3 3 1 1 ADN H8 H . . . . . 4.50 0.0 4.50 . . . . . A . 423 TYR QE . . A . 1002 ADN H8 . A . 423 . HE* . . . C . 1 . H8 . . c16596_2kqe 3 11 1 . . 1 1 66 66 TYR QD H . . . 3 3 1 1 ADN H8 H . . . . . 4.50 0.0 4.50 . . . . . A . 428 TYR QD . . A . 1002 ADN H8 . A . 428 . HD* . . . C . 1 . H8 . . c16596_2kqe 3 12 1 . . 1 1 66 66 TYR QD H . . . 3 3 1 1 ADN H1' H . . . . . 4.50 0.0 4.50 . . . . . A . 428 TYR QD . . A . 1002 ADN H1' . A . 428 . HD* . . . C . 1 . H1' . . c16596_2kqe 3 13 1 OR . 1 1 67 67 ARG HD3 H . . . 3 3 1 1 ADN H1' H . . . . . 4.50 0.0 4.50 . . . . . A . 429 ARG HD3 . . A . 1002 ADN H1' . A . 429 . HD* . . . C . 1 . H1' . . c16596_2kqe 3 13 2 OR . 3 3 1 1 ADN H1' H . . . 1 1 67 67 ARG HD2 H . . . . . 4.50 0.0 4.50 . . . . . A . 1002 ADN H1' . . A . 429 ARG HD2 . C . 1 . H1' . . . A . 429 . HD* . . c16596_2kqe 3 14 1 OR . 1 1 61 61 TYR QE H . . . 4 4 1 1 RIB H4' H . . . . . 4.50 0.0 4.50 . . . . . A . 423 TYR QE . . A . 1003 RIB H4' . A . 423 . HE* . . . C . 2 . H4D . . c16596_2kqe 3 14 2 OR . 1 1 61 61 TYR QE H . . . 4 4 1 1 RIB H2' H . . . . . 4.50 0.0 4.50 . . . . . A . 423 TYR QE . . A . 1003 RIB H2' . A . 423 . HE* . . . C . 2 . H2D . . c16596_2kqe 3 15 1 OR . 1 1 61 61 TYR QD H . . . 4 4 1 1 RIB H4' H . . . . . 4.50 0.0 4.50 . . . . . A . 423 TYR QD . . A . 1003 RIB H4' . A . 423 . HD* . . . C . 2 . H4D . . c16596_2kqe 3 15 2 OR . 1 1 61 61 TYR QD H . . . 4 4 1 1 RIB H2' H . . . . . 4.50 0.0 4.50 . . . . . A . 423 TYR QD . . A . 1003 RIB H2' . A . 423 . HD* . . . C . 2 . H2D . . c16596_2kqe 3 16 1 OR . 1 1 66 66 TYR QD H . . . 4 4 1 1 RIB H4' H . . . . . 4.50 0.0 4.50 . . . . . A . 428 TYR QD . . A . 1003 RIB H4' . A . 428 . HD* . . . C . 2 . H4D . . c16596_2kqe 3 16 2 OR . 1 1 66 66 TYR QD H . . . 4 4 1 1 RIB H2' H . . . . . 4.50 0.0 4.50 . . . . . A . 428 TYR QD . . A . 1003 RIB H2' . A . 428 . HD* . . . C . 2 . H2D . . c16596_2kqe 3 17 1 OR . 1 1 66 66 TYR QE H . . . 4 4 1 1 RIB H4' H . . . . . 4.50 0.0 4.50 . . . . . A . 428 TYR QE . . A . 1003 RIB H4' . A . 428 . HE* . . . C . 2 . H4D . . c16596_2kqe 3 17 2 OR . 1 1 66 66 TYR QE H . . . 4 4 1 1 RIB H2' H . . . . . 4.50 0.0 4.50 . . . . . A . 428 TYR QE . . A . 1003 RIB H2' . A . 428 . HE* . . . C . 2 . H2D . . c16596_2kqe 3 18 1 OR . 1 1 61 61 TYR QE H . . . 4 4 1 1 RIB H5'2 H . . . . . 4.50 0.0 4.50 . . . . . A . 423 TYR QE . . A . 1003 RIB H5'2 . A . 423 . HE* . . . C . 2 . H5D* . . c16596_2kqe 3 18 2 OR . 1 1 61 61 TYR QE H . . . 4 4 1 1 RIB H5'1 H . . . . . 4.50 0.0 4.50 . . . . . A . 423 TYR QE . . A . 1003 RIB H5'1 . A . 423 . HE* . . . C . 2 . H5D* . . c16596_2kqe 3 19 1 . . 1 1 66 66 TYR QE H . . . 4 4 1 1 RIB H1' H . . . . . 4.50 0.0 4.50 . . . . . A . 428 TYR QE . . A . 1003 RIB H1' . A . 428 . HE* . . . C . 2 . H1D . . c16596_2kqe 3 20 1 . . 1 1 66 66 TYR QD H . . . 4 4 1 1 RIB H1' H . . . . . 4.50 0.0 4.50 . . . . . A . 428 TYR QD . . A . 1003 RIB H1' . A . 428 . HD* . . . C . 2 . H1D . . c16596_2kqe 3 21 1 . . 1 1 61 61 TYR QE H . . . 4 4 1 1 RIB H1' H . . . . . 4.50 0.0 4.50 . . . . . A . 423 TYR QE . . A . 1003 RIB H1' . A . 423 . HE* . . . C . 2 . H1D . . c16596_2kqe 3 22 1 . . 3 3 1 1 ADN H8 H . . . 3 3 1 1 ADN H1' H . . . . . 3.75 0.0 3.75 . . . . . A . 1002 ADN H8 . . A . 1002 ADN H1' . C . 1 . H8 . . . C . 1 . H1' . . c16596_2kqe 3 23 1 . . 3 3 1 1 ADN H8 H . . . 3 3 1 1 ADN H2' H . . . . . 3.89 0.0 3.89 . . . . . A . 1002 ADN H8 . . A . 1002 ADN H2' . C . 1 . H8 . . . C . 1 . H2' . . c16596_2kqe 3 24 1 . . 3 3 1 1 ADN H1' H . . . 3 3 1 1 ADN H2' H . . . . . 3.75 0.0 3.75 . . . . . A . 1002 ADN H1' . . A . 1002 ADN H2' . C . 1 . H1' . . . C . 1 . H2' . . c16596_2kqe 3 25 1 . . 3 3 1 1 ADN H8 H . . . 3 3 1 1 ADN H3' H . . . . . 4.10 0.0 4.10 . . . . . A . 1002 ADN H8 . . A . 1002 ADN H3' . C . 1 . H8 . . . C . 1 . H3' . . c16596_2kqe 3 26 1 . . 3 3 1 1 ADN H1' H . . . 3 3 1 1 ADN H3' H . . . . . 4.82 0.0 4.82 . . . . . A . 1002 ADN H1' . . A . 1002 ADN H3' . C . 1 . H1' . . . C . 1 . H3' . . c16596_2kqe 3 27 1 . . 3 3 1 1 ADN H2' H . . . 3 3 1 1 ADN H3' H . . . . . 3.22 0.0 3.22 . . . . . A . 1002 ADN H2' . . A . 1002 ADN H3' . C . 1 . H2' . . . C . 1 . H3' . . c16596_2kqe 3 28 1 . . 3 3 1 1 ADN H8 H . . . 3 3 1 1 ADN H4' H . . . . . 4.98 0.0 4.98 . . . . . A . 1002 ADN H8 . . A . 1002 ADN H4' . C . 1 . H8 . . . C . 1 . H4' . . c16596_2kqe 3 29 1 . . 3 3 1 1 ADN H1' H . . . 3 3 1 1 ADN H4' H . . . . . 3.40 0.0 3.40 . . . . . A . 1002 ADN H1' . . A . 1002 ADN H4' . C . 1 . H1' . . . C . 1 . H4' . . c16596_2kqe 3 30 1 . . 3 3 1 1 ADN H2' H . . . 3 3 1 1 ADN H4' H . . . . . 5.08 0.0 5.08 . . . . . A . 1002 ADN H2' . . A . 1002 ADN H4' . C . 1 . H2' . . . C . 1 . H4' . . c16596_2kqe 3 31 1 . . 3 3 1 1 ADN H3' H . . . 3 3 1 1 ADN H4' H . . . . . 3.91 0.0 3.91 . . . . . A . 1002 ADN H3' . . A . 1002 ADN H4' . C . 1 . H3' . . . C . 1 . H4' . . c16596_2kqe 3 32 1 . . 3 3 1 1 ADN H8 H . . . 3 3 1 1 ADN H5'1 H . . . . . 4.82 0.0 4.82 . . . . . A . 1002 ADN H8 . . A . 1002 ADN H5'1 . C . 1 . H8 . . . C . 1 . H5'1 . . c16596_2kqe 3 33 1 . . 3 3 1 1 ADN H1' H . . . 3 3 1 1 ADN H5'1 H . . . . . 5.60 0.0 5.60 . . . . . A . 1002 ADN H1' . . A . 1002 ADN H5'1 . C . 1 . H1' . . . C . 1 . H5'1 . . c16596_2kqe 3 34 1 . . 3 3 1 1 ADN H2' H . . . 3 3 1 1 ADN H5'1 H . . . . . 5.37 0.0 5.37 . . . . . A . 1002 ADN H2' . . A . 1002 ADN H5'1 . C . 1 . H2' . . . C . 1 . H5'1 . . c16596_2kqe 3 35 1 . . 3 3 1 1 ADN H3' H . . . 3 3 1 1 ADN H5'1 H . . . . . 4.60 0.0 4.60 . . . . . A . 1002 ADN H3' . . A . 1002 ADN H5'1 . C . 1 . H3' . . . C . 1 . H5'1 . . c16596_2kqe 3 36 1 . . 3 3 1 1 ADN H8 H . . . 3 3 1 1 ADN H5'2 H . . . . . 4.50 0.0 4.50 . . . . . A . 1002 ADN H8 . . A . 1002 ADN H5'2 . C . 1 . H8 . . . C . 1 . H5'2 . . c16596_2kqe 3 37 1 . . 3 3 1 1 ADN H1' H . . . 3 3 1 1 ADN H5'2 H . . . . . 5.60 0.0 5.60 . . . . . A . 1002 ADN H1' . . A . 1002 ADN H5'2 . C . 1 . H1' . . . C . 1 . H5'2 . . c16596_2kqe 3 38 1 . . 3 3 1 1 ADN H2' H . . . 3 3 1 1 ADN H5'2 H . . . . . 5.37 0.0 5.37 . . . . . A . 1002 ADN H2' . . A . 1002 ADN H5'2 . C . 1 . H2' . . . C . 1 . H5'2 . . c16596_2kqe 3 39 1 . . 3 3 1 1 ADN H4' H . . . 3 3 1 1 ADN H5'1 H . . . . . 3.37 0.0 3.37 . . . . . A . 1002 ADN H4' . . A . 1002 ADN H5'1 . C . 1 . H4' . . . C . 1 . H5'1 . . c16596_2kqe 3 40 1 . . 3 3 1 1 ADN H4' H . . . 3 3 1 1 ADN H5'2 H . . . . . 3.37 0.0 3.37 . . . . . A . 1002 ADN H4' . . A . 1002 ADN H5'2 . C . 1 . H4' . . . C . 1 . H5'2 . . c16596_2kqe 3 41 1 . . 3 3 1 1 ADN H3' H . . . 3 3 1 1 ADN H5'2 H . . . . . 3.79 0.0 3.79 . . . . . A . 1002 ADN H3' . . A . 1002 ADN H5'2 . C . 1 . H3' . . . C . 1 . H5'2 . . c16596_2kqe 3 42 1 OR . 4 4 1 1 RIB H4' H . . . 4 4 1 1 RIB H3' H . . . . . 3.56 0.0 3.56 . . . . . A . 1003 RIB H4' . . A . 1003 RIB H3' . C . 2 . H4D . . . C . 2 . H3D . . c16596_2kqe 3 42 2 OR . 4 4 1 1 RIB H2' H . . . 4 4 1 1 RIB H3' H . . . . . 3.56 0.0 3.56 . . . . . A . 1003 RIB H2' . . A . 1003 RIB H3' . C . 2 . H2D . . . C . 2 . H3D . . c16596_2kqe 3 43 1 . . 3 3 1 1 ADN H1' H . . . 4 4 1 1 RIB H1' H . . . . . 3.95 0.0 3.95 . . . . . A . 1002 ADN H1' . . A . 1003 RIB H1' . C . 1 . H1' . . . C . 2 . H1D . . c16596_2kqe 3 44 1 OR . 3 3 1 1 ADN H1' H . . . 4 4 1 1 RIB H4' H . . . . . 5.44 0.0 5.44 . . . . . A . 1002 ADN H1' . . A . 1003 RIB H4' . C . 1 . H1' . . . C . 2 . H4D . . c16596_2kqe 3 44 2 OR . 3 3 1 1 ADN H1' H . . . 4 4 1 1 RIB H2' H . . . . . 5.44 0.0 5.44 . . . . . A . 1002 ADN H1' . . A . 1003 RIB H2' . C . 1 . H1' . . . C . 2 . H2D . . c16596_2kqe 3 45 1 OR . 4 4 1 1 RIB H4' H . . . 3 3 1 1 ADN H2' H . . . . . 5.09 0.0 5.09 . . . . . A . 1003 RIB H4' . . A . 1002 ADN H2' . C . 2 . H4D . . . C . 1 . H2' . . c16596_2kqe 3 45 2 OR . 4 4 1 1 RIB H2' H . . . 3 3 1 1 ADN H2' H . . . . . 5.09 0.0 5.09 . . . . . A . 1003 RIB H2' . . A . 1002 ADN H2' . C . 2 . H2D . . . C . 1 . H2' . . c16596_2kqe 3 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Entry_ID c16596_2kqe _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c16596_2kqe 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 70 70 PRO C C . . 1 1 71 71 GLN N N . . 1 1 71 71 GLN CA C . . 1 1 71 71 GLN C C . -85.8 -45.8 . . . A . 432 PRO C . . A . 433 GLN N . . A . 433 GLN CA . . A . 433 GLN C . . . 432 . C . . . . . 433 . N . . . . . 433 . CA . . . . . 433 . C . . c16596_2kqe 1 2 . . 1 1 71 71 GLN N N . . 1 1 71 71 GLN CA C . . 1 1 71 71 GLN C C . . 1 1 72 72 HIS N N . -46.5 -26.5 . . . A . 433 GLN N . . A . 433 GLN CA . . A . 433 GLN C . . A . 434 HIS N . . . 433 . N . . . . . 433 . CA . . . . . 433 . C . . . . . 434 . N . . c16596_2kqe 1 3 . . 1 1 71 71 GLN C C . . 1 1 72 72 HIS N N . . 1 1 72 72 HIS CA C . . 1 1 72 72 HIS C C . -81.6 -41.6 . . . A . 433 GLN C . . A . 434 HIS N . . A . 434 HIS CA . . A . 434 HIS C . . . 433 . C . . . . . 434 . N . . . . . 434 . CA . . . . . 434 . C . . c16596_2kqe 1 4 . . 1 1 72 72 HIS N N . . 1 1 72 72 HIS CA C . . 1 1 72 72 HIS C C . . 1 1 73 73 LYS N N . -51.2 -31.2 . . . A . 434 HIS N . . A . 434 HIS CA . . A . 434 HIS C . . A . 435 LYS N . . . 434 . N . . . . . 434 . CA . . . . . 434 . C . . . . . 435 . N . . c16596_2kqe 1 5 . . 1 1 72 72 HIS C C . . 1 1 73 73 LYS N N . . 1 1 73 73 LYS CA C . . 1 1 73 73 LYS C C . -89.2 -49.2 . . . A . 434 HIS C . . A . 435 LYS N . . A . 435 LYS CA . . A . 435 LYS C . . . 434 . C . . . . . 435 . N . . . . . 435 . CA . . . . . 435 . C . . c16596_2kqe 1 6 . . 1 1 73 73 LYS N N . . 1 1 73 73 LYS CA C . . 1 1 73 73 LYS C C . . 1 1 74 74 ILE N N . -43.3 -16.7 . . . A . 435 LYS N . . A . 435 LYS CA . . A . 435 LYS C . . A . 436 ILE N . . . 435 . N . . . . . 435 . CA . . . . . 435 . C . . . . . 436 . N . . c16596_2kqe 1 7 . . 1 1 73 73 LYS C C . . 1 1 74 74 ILE N N . . 1 1 74 74 ILE CA C . . 1 1 74 74 ILE C C . -89.8 -49.8 . . . A . 435 LYS C . . A . 436 ILE N . . A . 436 ILE CA . . A . 436 ILE C . . . 435 . C . . . . . 436 . N . . . . . 436 . CA . . . . . 436 . C . . c16596_2kqe 1 8 . . 1 1 74 74 ILE N N . . 1 1 74 74 ILE CA C . . 1 1 74 74 ILE C C . . 1 1 75 75 GLU N N . -49.7 -19.5 . . . A . 436 ILE N . . A . 436 ILE CA . . A . 436 ILE C . . A . 437 GLU N . . . 436 . N . . . . . 436 . CA . . . . . 436 . C . . . . . 437 . N . . c16596_2kqe 1 9 . . 1 1 74 74 ILE C C . . 1 1 75 75 GLU N N . . 1 1 75 75 GLU CA C . . 1 1 75 75 GLU C C . -102.6 -62.6 . . . A . 436 ILE C . . A . 437 GLU N . . A . 437 GLU CA . . A . 437 GLU C . . . 436 . C . . . . . 437 . N . . . . . 437 . CA . . . . . 437 . C . . c16596_2kqe 1 10 . . 1 1 75 75 GLU N N . . 1 1 75 75 GLU CA C . . 1 1 75 75 GLU C C . . 1 1 76 76 TYR N N . -48.4 -21.2 . . . A . 437 GLU N . . A . 437 GLU CA . . A . 437 GLU C . . A . 438 TYR N . . . 437 . N . . . . . 437 . CA . . . . . 437 . C . . . . . 438 . N . . c16596_2kqe 1 11 . . 1 1 65 65 CYS N N . . 1 1 65 65 CYS CA C . . 1 1 65 65 CYS CB C . . 1 1 65 65 CYS SG S . 120.0 240.0 . . . A . 427 CYS N . . A . 427 CYS CA . . A . 427 CYS CB . . A . 427 CYS SG . . . 427 . N . . . . . 427 . CA . . . . . 427 . CB . . . . . 427 . SG . . c16596_2kqe 1 12 . . 1 1 66 66 TYR N N . . 1 1 66 66 TYR CA C . . 1 1 66 66 TYR CB C . . 1 1 66 66 TYR CG C . 0.0 120.0 . . . A . 428 TYR N . . A . 428 TYR CA . . A . 428 TYR CB . . A . 428 TYR CG . . . 428 . N . . . . . 428 . CA . . . . . 428 . CB . . . . . 428 . CG . . c16596_2kqe 1 13 . . 1 1 67 67 ARG N N . . 1 1 67 67 ARG CA C . . 1 1 67 67 ARG CB C . . 1 1 67 67 ARG CG C . 0.0 120.0 . . . A . 429 ARG N . . A . 429 ARG CA . . A . 429 ARG CB . . A . 429 ARG CG . . . 429 . N . . . . . 429 . CA . . . . . 429 . CB . . . . . 429 . CG . . c16596_2kqe 1 14 . . 1 1 71 71 GLN N N . . 1 1 71 71 GLN CA C . . 1 1 71 71 GLN CB C . . 1 1 71 71 GLN CG C . 0.0 120.0 . . . A . 433 GLN N . . A . 433 GLN CA . . A . 433 GLN CB . . A . 433 GLN CG . . . 433 . N . . . . . 433 . CA . . . . . 433 . CB . . . . . 433 . CG . . c16596_2kqe 1 15 . . 1 1 73 73 LYS N N . . 1 1 73 73 LYS CA C . . 1 1 73 73 LYS CB C . . 1 1 73 73 LYS CG C . -120.0 0.0 . . . A . 435 LYS N . . A . 435 LYS CA . . A . 435 LYS CB . . A . 435 LYS CG . . . 435 . N . . . . . 435 . CA . . . . . 435 . CB . . . . . 435 . CG . . c16596_2kqe 1 16 . . 1 1 75 75 GLU N N . . 1 1 75 75 GLU CA C . . 1 1 75 75 GLU CB C . . 1 1 75 75 GLU CG C . -120.0 0.0 . . . A . 437 GLU N . . A . 437 GLU CA . . A . 437 GLU CB . . A . 437 GLU CG . . . 437 . N . . . . . 437 . CA . . . . . 437 . CB . . . . . 437 . CG . . c16596_2kqe 1 17 . . 1 1 81 81 LEU N N . . 1 1 81 81 LEU CA C . . 1 1 81 81 LEU CB C . . 1 1 81 81 LEU CG C . -120.0 0.0 . . . A . 443 LEU N . . A . 443 LEU CA . . A . 443 LEU CB . . A . 443 LEU CG . . . 443 . N . . . . . 443 . CA . . . . . 443 . CB . . . . . 443 . CG . . c16596_2kqe 1 18 . . 1 1 78 78 HIS N N . . 1 1 78 78 HIS CA C . . 1 1 78 78 HIS CB C . . 1 1 78 78 HIS CG C . -120.0 0.0 . . . A . 440 HIS N . . A . 440 HIS CA . . A . 440 HIS CB . . A . 440 HIS CG . . . 440 . N . . . . . 440 . CA . . . . . 440 . CB . . . . . 440 . CG . . c16596_2kqe 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 'Added DN 18-03-09' 104 39 104 57 c16596_2kqe 1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Sf_framecode CNS/XPLOR_dipolar_coupling_5 _RDC_constraint_list.Entry_ID c16596_2kqe _RDC_constraint_list.ID 1 _RDC_constraint_list.Details 'Generated by Wattos' _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 5 loop_ _RDC_constraint_software.Software_ID _RDC_constraint_software.Software_label _RDC_constraint_software.Method_ID _RDC_constraint_software.Method_label _RDC_constraint_software.Entry_ID _RDC_constraint_software.RDC_constraint_list_ID . . . . c16596_2kqe 1 stop_ loop_ _RDC_constraint_parse_err.ID _RDC_constraint_parse_err.Content _RDC_constraint_parse_err.Begin_line _RDC_constraint_parse_err.Begin_column _RDC_constraint_parse_err.End_line _RDC_constraint_parse_err.End_column _RDC_constraint_parse_err.Entry_ID _RDC_constraint_parse_err.RDC_constraint_list_ID 1 'assign ( resid 417 and name N ) ( resid 417 and name HN ) -4.2536 1.000' 1 1 1 85 c16596_2kqe 1 2 'assign ( resid 418 and name N ) ( resid 418 and name HN ) 1.1452 1.000' 2 1 2 84 c16596_2kqe 1 3 'assign ( resid 420 and name N ) ( resid 420 and name HN ) 0.4908 1.000' 3 1 3 84 c16596_2kqe 1 4 'assign ( resid 421 and name N ) ( resid 421 and name HN ) 3.272 1.000' 4 1 4 83 c16596_2kqe 1 5 'assign ( resid 423 and name N ) ( resid 423 and name HN ) -8.7526 1.000' 5 1 5 85 c16596_2kqe 1 6 'assign ( resid 424 and name N ) ( resid 424 and name HN ) -14.8876 1.000' 6 1 6 86 c16596_2kqe 1 7 'assign ( resid 426 and name N ) ( resid 426 and name HN ) -3.4356 1.000' 7 1 7 85 c16596_2kqe 1 8 'assign ( resid 427 and name N ) ( resid 427 and name HN ) 16.1964 1.000' 8 1 8 85 c16596_2kqe 1 9 'assign ( resid 428 and name N ) ( resid 428 and name HN ) 4.4172 1.000' 9 1 9 84 c16596_2kqe 1 10 'assign ( resid 429 and name N ) ( resid 429 and name HN ) 6.0532 1.000' 10 1 10 84 c16596_2kqe 1 11 'assign ( resid 433 and name N ) ( resid 433 and name HN ) 20.041 1.000' 11 1 11 84 c16596_2kqe 1 12 'assign ( resid 434 and name N ) ( resid 434 and name HN ) 4.6626 1.000' 12 1 12 84 c16596_2kqe 1 13 'assign ( resid 435 and name N ) ( resid 435 and name HN ) 2.863 1.000' 13 1 13 83 c16596_2kqe 1 14 'assign ( resid 436 and name N ) ( resid 436 and name HN ) 18.1596 1.000' 14 1 14 85 c16596_2kqe 1 15 'assign ( resid 437 and name N ) ( resid 437 and name HN ) 13.0062 1.000' 15 1 15 85 c16596_2kqe 1 16 'assign ( resid 438 and name N ) ( resid 438 and name HN ) 0 1.000' 16 1 16 79 c16596_2kqe 1 17 'assign ( resid 439 and name N ) ( resid 439 and name HN ) -3.3538 1.000' 17 1 17 85 c16596_2kqe 1 18 'assign ( resid 440 and name N ) ( resid 440 and name HN ) 5.8078 1.000' 18 1 18 84 c16596_2kqe 1 19 'assign ( resid 441 and name N ) ( resid 441 and name HN ) 0.818 1.000' 19 1 19 83 c16596_2kqe 1 20 'assign ( resid 442 and name N ) ( resid 442 and name HN ) 6.135 1.000' 20 1 20 83 c16596_2kqe 1 21 'assign ( resid 443 and name N ) ( resid 443 and name HN ) 4.499 1.000' 21 1 21 83 c16596_2kqe 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c16596_2kqe _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER LYASE 04-NOV-09 2KQE *TITLE SECOND PBZ DOMAIN OF HUMAN APLF PROTEIN IN COMPLEX WITH *TITLE 2 RIBOFURANOSYLADENOSINE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: APRATAXIN AND PNK-LIKE FACTOR; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: SEQUENCE DATABASE RESIDUES 363-451, PBZ-TYPE 2 *COMPND 5 DOMAIN; *COMPND 6 SYNONYM: APURINIC-APYRIMIDINIC ENDONUCLEASE APLF, PNK AND *COMPND 7 APTX-LIKE FHA DOMAIN-CONTAINING PROTEIN, XRCC1-INTERACTING *COMPND 8 PROTEIN 1; *COMPND 9 EC: 4.2.99.18; *COMPND 10 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 3 ORGANISM_COMMON: HUMAN; *SOURCE 4 ORGANISM_TAXID: 9606; *SOURCE 5 GENE: APLF, C2ORF13, PALF, XIP1; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PGEX-6P-1 *KEYWDS ADP-RIBOSYLATION, DNA DAMAGE, DNA REPAIR, METAL-BINDING, *KEYWDS 2 NUCLEOTIDE-BINDING, NUCLEUS, ZINC, ZINC-FINGER *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR D.NEUHAUS, S.EUSTERMANN, C.BROCKMANN, J.YANG *REVDAT 1 19-JAN-10 2KQE 0' save_