data_ma-t3vr3-023 _entry.id ma-t3vr3-023 _entry.ma_collection_id ma-t3vr3 _struct.entry_id ma-t3vr3-023 _struct.pdbx_model_details ;Predicted interaction between RNA polymerase II elongation factor ELL2 (residue 525 - 640) and AF4/FMR2 family member 4 (residue 161 - 360). Model generated using AlphaFold2 with a 200 residue separation between the chains starting from a paired Multiple Sequence Alignment(pMSA). ; _struct.pdbx_structure_determination_methodology computational _struct.title 'Predicted interaction between ELL2 (525-640) and AFF4 (161-360)' _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/ba728c4/archive/mmcif_ma-v1.4.5.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary 'Computed cancer interactome explains the effects of somatic mutations in cancers.' 'Protein Sci' 31 e4479 . 2022 36261849 10.1002/pro.4479 2 'Highly accurate protein structure prediction with AlphaFold.' Nature 596 583 589 2021 34265844 10.1038/s41586-021-03819-2 loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Zhang, J.' 1 primary 'Pei, J.' 2 primary 'Durham, J.' 3 primary 'Bos, T.' 4 primary 'Cong, Q.' 5 2 'Jumper, J.' 6 2 'Evans, R.' 7 2 'Pritzel, A.' 8 2 'Green, T.' 9 2 'Figurnov, M.' 10 2 'Ronneberger, O.' 11 2 'Tunyasuvunakool, K.' 12 2 'Bates, R.' 13 2 'Zidek, A.' 14 2 'Potapenko, A.' 15 2 'Bridgland, A.' 16 2 'Meyer, C.' 17 2 'Kohl, S.A.A.' 18 2 'Ballard, A.J.' 19 2 'Cowie, A.' 20 2 'Romera-Paredes, B.' 21 2 'Nikolov, S.' 22 2 'Jain, R.' 23 2 'Adler, J.' 24 2 'Back, T.' 25 2 'Petersen, S.' 26 2 'Reiman, D.' 27 2 'Clancy, E.' 28 2 'Zielinski, M.' 29 2 'Steinegger, M.' 30 2 'Pacholska, M.' 31 2 'Berghammer, T.' 32 2 'Bodenstein, S.' 33 2 'Silver, D.' 34 2 'Vinyals, O.' 35 2 'Senior, A.W.' 36 2 'Kavukcuoglu, K.' 37 2 'Kohli, P.' 38 2 'Hassabis, D.' 39 loop_ _software.pdbx_ordinal _software.name _software.classification _software.description _software.version _software.type _software.location _software.citation_id 1 AlphaFold 'model building' 'Structure prediction' 2.0.0 package https://github.com/deepmind/alphafold 2 loop_ _ma_software_group.ordinal_id _ma_software_group.group_id _ma_software_group.software_id _ma_software_group.parameter_group_id 1 1 1 . loop_ _audit_author.name _audit_author.pdbx_ordinal 'Zhang, J.' 1 'Pei, J.' 2 'Durham, J.' 3 'Bos, T.' 4 'Cong, Q.' 5 loop_ _chem_comp.id _chem_comp.type _chem_comp.name _chem_comp.formula _chem_comp.formula_weight _chem_comp.ma_provenance ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094 'CCD Core' ARG 'L-peptide linking' ARGININE 'C6 H15 N4 O2 1' 175.212 'CCD Core' ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core' ASP 'L-peptide linking' 'ASPARTIC ACID' 'C4 H7 N O4' 133.103 'CCD Core' CYS 'L-peptide linking' CYSTEINE 'C3 H7 N O2 S' 121.154 'CCD Core' GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 'CCD Core' GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 'CCD Core' GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 'CCD Core' HIS 'L-peptide linking' HISTIDINE 'C6 H10 N3 O2 1' 156.165 'CCD Core' ILE 'L-peptide linking' ISOLEUCINE 'C6 H13 N O2' 131.175 'CCD Core' LEU 'L-peptide linking' LEUCINE 'C6 H13 N O2' 131.175 'CCD Core' LYS 'L-peptide linking' LYSINE 'C6 H15 N2 O2 1' 147.198 'CCD Core' MET 'L-peptide linking' METHIONINE 'C5 H11 N O2 S' 149.208 'CCD Core' PHE 'L-peptide linking' PHENYLALANINE 'C9 H11 N O2' 165.192 'CCD Core' PRO 'L-peptide linking' PROLINE 'C5 H9 N O2' 115.132 'CCD Core' SER 'L-peptide linking' SERINE 'C3 H7 N O3' 105.093 'CCD Core' THR 'L-peptide linking' THREONINE 'C4 H9 N O3' 119.120 'CCD Core' TRP 'L-peptide linking' TRYPTOPHAN 'C11 H12 N2 O2' 204.229 'CCD Core' TYR 'L-peptide linking' TYROSINE 'C9 H11 N O3' 181.191 'CCD Core' VAL 'L-peptide linking' VALINE 'C5 H11 N O2' 117.148 'CCD Core' loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.details 1 polymer nat 'Homo sapiens (Human) ELL2 (O00472; 525 - 640)' 16256.789 1 . 2 polymer nat 'Homo sapiens (Human) AFF4 (Q9UHB7; 161 - 360)' 25433.295 1 . loop_ _entity_src_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_ncbi_taxonomy_id _entity_src_nat.pdbx_organism_scientific _entity_src_nat.common_name _entity_src_nat.strain 1 1 9606 'Homo sapiens (Human)' . . 2 2 9606 'Homo sapiens (Human)' . . loop_ _ma_target_ref_db_details.target_entity_id _ma_target_ref_db_details.db_name _ma_target_ref_db_details.db_name_other_details _ma_target_ref_db_details.db_code _ma_target_ref_db_details.db_accession _ma_target_ref_db_details.seq_db_isoform _ma_target_ref_db_details.seq_db_align_begin _ma_target_ref_db_details.seq_db_align_end _ma_target_ref_db_details.ncbi_taxonomy_id _ma_target_ref_db_details.organism_scientific _ma_target_ref_db_details.seq_db_sequence_version_date _ma_target_ref_db_details.seq_db_sequence_checksum 1 UNP . ELL2_HUMAN O00472 . 525 640 9606 'Homo sapiens (Human)' 2009-07-28 96D6228AF868E6C9 2 UNP . AFF4_HUMAN Q9UHB7 . 161 360 9606 'Homo sapiens (Human)' 2000-05-01 474E1906B8832AC1 loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_strand_id _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can 1 polypeptide(L) no no A ;LPDYLIKYIAIVSYEQRQNYKDDFNAEYDEYRALHARMETVARRFIKLDAQRKRLSPGSKEYQNVHEEVL QEYQKIKQSSPNYHEEKYRCEYLHNKLAHIKRLIGEFDQQQAESWS ; ;LPDYLIKYIAIVSYEQRQNYKDDFNAEYDEYRALHARMETVARRFIKLDAQRKRLSPGSKEYQNVHEEVL QEYQKIKQSSPNYHEEKYRCEYLHNKLAHIKRLIGEFDQQQAESWS ; 2 polypeptide(L) no no B ;SSSRKKGQHGSEHSKSRSSSPGKPQAVSSLNSSHSRSHGNDHHSKEHQRSKSPRDPDANWDSPSRVPFSS GQHSTQSFPPSLMSKSNSMLQKPTAYVRPMDGQESMEPKLSSEHYSSQSHGNSMTELKPSSKAHLTKLKI PSQPLDASASGDVSCVDEILKEMTHSWPPPLTAIHTPCKTEPSKFPFPTKESQQSNFGTG ; ;SSSRKKGQHGSEHSKSRSSSPGKPQAVSSLNSSHSRSHGNDHHSKEHQRSKSPRDPDANWDSPSRVPFSS GQHSTQSFPPSLMSKSNSMLQKPTAYVRPMDGQESMEPKLSSEHYSSQSHGNSMTELKPSSKAHLTKLKI PSQPLDASASGDVSCVDEILKEMTHSWPPPLTAIHTPCKTEPSKFPFPTKESQQSNFGTG ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 LEU . 1 2 PRO . 1 3 ASP . 1 4 TYR . 1 5 LEU . 1 6 ILE . 1 7 LYS . 1 8 TYR . 1 9 ILE . 1 10 ALA . 1 11 ILE . 1 12 VAL . 1 13 SER . 1 14 TYR . 1 15 GLU . 1 16 GLN . 1 17 ARG . 1 18 GLN . 1 19 ASN . 1 20 TYR . 1 21 LYS . 1 22 ASP . 1 23 ASP . 1 24 PHE . 1 25 ASN . 1 26 ALA . 1 27 GLU . 1 28 TYR . 1 29 ASP . 1 30 GLU . 1 31 TYR . 1 32 ARG . 1 33 ALA . 1 34 LEU . 1 35 HIS . 1 36 ALA . 1 37 ARG . 1 38 MET . 1 39 GLU . 1 40 THR . 1 41 VAL . 1 42 ALA . 1 43 ARG . 1 44 ARG . 1 45 PHE . 1 46 ILE . 1 47 LYS . 1 48 LEU . 1 49 ASP . 1 50 ALA . 1 51 GLN . 1 52 ARG . 1 53 LYS . 1 54 ARG . 1 55 LEU . 1 56 SER . 1 57 PRO . 1 58 GLY . 1 59 SER . 1 60 LYS . 1 61 GLU . 1 62 TYR . 1 63 GLN . 1 64 ASN . 1 65 VAL . 1 66 HIS . 1 67 GLU . 1 68 GLU . 1 69 VAL . 1 70 LEU . 1 71 GLN . 1 72 GLU . 1 73 TYR . 1 74 GLN . 1 75 LYS . 1 76 ILE . 1 77 LYS . 1 78 GLN . 1 79 SER . 1 80 SER . 1 81 PRO . 1 82 ASN . 1 83 TYR . 1 84 HIS . 1 85 GLU . 1 86 GLU . 1 87 LYS . 1 88 TYR . 1 89 ARG . 1 90 CYS . 1 91 GLU . 1 92 TYR . 1 93 LEU . 1 94 HIS . 1 95 ASN . 1 96 LYS . 1 97 LEU . 1 98 ALA . 1 99 HIS . 1 100 ILE . 1 101 LYS . 1 102 ARG . 1 103 LEU . 1 104 ILE . 1 105 GLY . 1 106 GLU . 1 107 PHE . 1 108 ASP . 1 109 GLN . 1 110 GLN . 1 111 GLN . 1 112 ALA . 1 113 GLU . 1 114 SER . 1 115 TRP . 1 116 SER . 2 1 SER . 2 2 SER . 2 3 SER . 2 4 ARG . 2 5 LYS . 2 6 LYS . 2 7 GLY . 2 8 GLN . 2 9 HIS . 2 10 GLY . 2 11 SER . 2 12 GLU . 2 13 HIS . 2 14 SER . 2 15 LYS . 2 16 SER . 2 17 ARG . 2 18 SER . 2 19 SER . 2 20 SER . 2 21 PRO . 2 22 GLY . 2 23 LYS . 2 24 PRO . 2 25 GLN . 2 26 ALA . 2 27 VAL . 2 28 SER . 2 29 SER . 2 30 LEU . 2 31 ASN . 2 32 SER . 2 33 SER . 2 34 HIS . 2 35 SER . 2 36 ARG . 2 37 SER . 2 38 HIS . 2 39 GLY . 2 40 ASN . 2 41 ASP . 2 42 HIS . 2 43 HIS . 2 44 SER . 2 45 LYS . 2 46 GLU . 2 47 HIS . 2 48 GLN . 2 49 ARG . 2 50 SER . 2 51 LYS . 2 52 SER . 2 53 PRO . 2 54 ARG . 2 55 ASP . 2 56 PRO . 2 57 ASP . 2 58 ALA . 2 59 ASN . 2 60 TRP . 2 61 ASP . 2 62 SER . 2 63 PRO . 2 64 SER . 2 65 ARG . 2 66 VAL . 2 67 PRO . 2 68 PHE . 2 69 SER . 2 70 SER . 2 71 GLY . 2 72 GLN . 2 73 HIS . 2 74 SER . 2 75 THR . 2 76 GLN . 2 77 SER . 2 78 PHE . 2 79 PRO . 2 80 PRO . 2 81 SER . 2 82 LEU . 2 83 MET . 2 84 SER . 2 85 LYS . 2 86 SER . 2 87 ASN . 2 88 SER . 2 89 MET . 2 90 LEU . 2 91 GLN . 2 92 LYS . 2 93 PRO . 2 94 THR . 2 95 ALA . 2 96 TYR . 2 97 VAL . 2 98 ARG . 2 99 PRO . 2 100 MET . 2 101 ASP . 2 102 GLY . 2 103 GLN . 2 104 GLU . 2 105 SER . 2 106 MET . 2 107 GLU . 2 108 PRO . 2 109 LYS . 2 110 LEU . 2 111 SER . 2 112 SER . 2 113 GLU . 2 114 HIS . 2 115 TYR . 2 116 SER . 2 117 SER . 2 118 GLN . 2 119 SER . 2 120 HIS . 2 121 GLY . 2 122 ASN . 2 123 SER . 2 124 MET . 2 125 THR . 2 126 GLU . 2 127 LEU . 2 128 LYS . 2 129 PRO . 2 130 SER . 2 131 SER . 2 132 LYS . 2 133 ALA . 2 134 HIS . 2 135 LEU . 2 136 THR . 2 137 LYS . 2 138 LEU . 2 139 LYS . 2 140 ILE . 2 141 PRO . 2 142 SER . 2 143 GLN . 2 144 PRO . 2 145 LEU . 2 146 ASP . 2 147 ALA . 2 148 SER . 2 149 ALA . 2 150 SER . 2 151 GLY . 2 152 ASP . 2 153 VAL . 2 154 SER . 2 155 CYS . 2 156 VAL . 2 157 ASP . 2 158 GLU . 2 159 ILE . 2 160 LEU . 2 161 LYS . 2 162 GLU . 2 163 MET . 2 164 THR . 2 165 HIS . 2 166 SER . 2 167 TRP . 2 168 PRO . 2 169 PRO . 2 170 PRO . 2 171 LEU . 2 172 THR . 2 173 ALA . 2 174 ILE . 2 175 HIS . 2 176 THR . 2 177 PRO . 2 178 CYS . 2 179 LYS . 2 180 THR . 2 181 GLU . 2 182 PRO . 2 183 SER . 2 184 LYS . 2 185 PHE . 2 186 PRO . 2 187 PHE . 2 188 PRO . 2 189 THR . 2 190 LYS . 2 191 GLU . 2 192 SER . 2 193 GLN . 2 194 GLN . 2 195 SER . 2 196 ASN . 2 197 PHE . 2 198 GLY . 2 199 THR . 2 200 GLY . loop_ _struct_asym.id _struct_asym.entity_id _struct_asym.details A 1 . B 2 . loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code A 1 1 LEU 525 525 LEU LEU A . A 1 2 PRO 526 526 PRO PRO A . A 1 3 ASP 527 527 ASP ASP A . A 1 4 TYR 528 528 TYR TYR A . A 1 5 LEU 529 529 LEU LEU A . A 1 6 ILE 530 530 ILE ILE A . A 1 7 LYS 531 531 LYS LYS A . A 1 8 TYR 532 532 TYR TYR A . A 1 9 ILE 533 533 ILE ILE A . A 1 10 ALA 534 534 ALA ALA A . A 1 11 ILE 535 535 ILE ILE A . A 1 12 VAL 536 536 VAL VAL A . A 1 13 SER 537 537 SER SER A . A 1 14 TYR 538 538 TYR TYR A . A 1 15 GLU 539 539 GLU GLU A . A 1 16 GLN 540 540 GLN GLN A . A 1 17 ARG 541 541 ARG ARG A . A 1 18 GLN 542 542 GLN GLN A . A 1 19 ASN 543 543 ASN ASN A . A 1 20 TYR 544 544 TYR TYR A . A 1 21 LYS 545 545 LYS LYS A . A 1 22 ASP 546 546 ASP ASP A . A 1 23 ASP 547 547 ASP ASP A . A 1 24 PHE 548 548 PHE PHE A . A 1 25 ASN 549 549 ASN ASN A . A 1 26 ALA 550 550 ALA ALA A . A 1 27 GLU 551 551 GLU GLU A . A 1 28 TYR 552 552 TYR TYR A . A 1 29 ASP 553 553 ASP ASP A . A 1 30 GLU 554 554 GLU GLU A . A 1 31 TYR 555 555 TYR TYR A . A 1 32 ARG 556 556 ARG ARG A . A 1 33 ALA 557 557 ALA ALA A . A 1 34 LEU 558 558 LEU LEU A . A 1 35 HIS 559 559 HIS HIS A . A 1 36 ALA 560 560 ALA ALA A . A 1 37 ARG 561 561 ARG ARG A . A 1 38 MET 562 562 MET MET A . A 1 39 GLU 563 563 GLU GLU A . A 1 40 THR 564 564 THR THR A . A 1 41 VAL 565 565 VAL VAL A . A 1 42 ALA 566 566 ALA ALA A . A 1 43 ARG 567 567 ARG ARG A . A 1 44 ARG 568 568 ARG ARG A . A 1 45 PHE 569 569 PHE PHE A . A 1 46 ILE 570 570 ILE ILE A . A 1 47 LYS 571 571 LYS LYS A . A 1 48 LEU 572 572 LEU LEU A . A 1 49 ASP 573 573 ASP ASP A . A 1 50 ALA 574 574 ALA ALA A . A 1 51 GLN 575 575 GLN GLN A . A 1 52 ARG 576 576 ARG ARG A . A 1 53 LYS 577 577 LYS LYS A . A 1 54 ARG 578 578 ARG ARG A . A 1 55 LEU 579 579 LEU LEU A . A 1 56 SER 580 580 SER SER A . A 1 57 PRO 581 581 PRO PRO A . A 1 58 GLY 582 582 GLY GLY A . A 1 59 SER 583 583 SER SER A . A 1 60 LYS 584 584 LYS LYS A . A 1 61 GLU 585 585 GLU GLU A . A 1 62 TYR 586 586 TYR TYR A . A 1 63 GLN 587 587 GLN GLN A . A 1 64 ASN 588 588 ASN ASN A . A 1 65 VAL 589 589 VAL VAL A . A 1 66 HIS 590 590 HIS HIS A . A 1 67 GLU 591 591 GLU GLU A . A 1 68 GLU 592 592 GLU GLU A . A 1 69 VAL 593 593 VAL VAL A . A 1 70 LEU 594 594 LEU LEU A . A 1 71 GLN 595 595 GLN GLN A . A 1 72 GLU 596 596 GLU GLU A . A 1 73 TYR 597 597 TYR TYR A . A 1 74 GLN 598 598 GLN GLN A . A 1 75 LYS 599 599 LYS LYS A . A 1 76 ILE 600 600 ILE ILE A . A 1 77 LYS 601 601 LYS LYS A . A 1 78 GLN 602 602 GLN GLN A . A 1 79 SER 603 603 SER SER A . A 1 80 SER 604 604 SER SER A . A 1 81 PRO 605 605 PRO PRO A . A 1 82 ASN 606 606 ASN ASN A . A 1 83 TYR 607 607 TYR TYR A . A 1 84 HIS 608 608 HIS HIS A . A 1 85 GLU 609 609 GLU GLU A . A 1 86 GLU 610 610 GLU GLU A . A 1 87 LYS 611 611 LYS LYS A . A 1 88 TYR 612 612 TYR TYR A . A 1 89 ARG 613 613 ARG ARG A . A 1 90 CYS 614 614 CYS CYS A . A 1 91 GLU 615 615 GLU GLU A . A 1 92 TYR 616 616 TYR TYR A . A 1 93 LEU 617 617 LEU LEU A . A 1 94 HIS 618 618 HIS HIS A . A 1 95 ASN 619 619 ASN ASN A . A 1 96 LYS 620 620 LYS LYS A . A 1 97 LEU 621 621 LEU LEU A . A 1 98 ALA 622 622 ALA ALA A . A 1 99 HIS 623 623 HIS HIS A . A 1 100 ILE 624 624 ILE ILE A . A 1 101 LYS 625 625 LYS LYS A . A 1 102 ARG 626 626 ARG ARG A . A 1 103 LEU 627 627 LEU LEU A . A 1 104 ILE 628 628 ILE ILE A . A 1 105 GLY 629 629 GLY GLY A . A 1 106 GLU 630 630 GLU GLU A . A 1 107 PHE 631 631 PHE PHE A . A 1 108 ASP 632 632 ASP ASP A . A 1 109 GLN 633 633 GLN GLN A . A 1 110 GLN 634 634 GLN GLN A . A 1 111 GLN 635 635 GLN GLN A . A 1 112 ALA 636 636 ALA ALA A . A 1 113 GLU 637 637 GLU GLU A . A 1 114 SER 638 638 SER SER A . A 1 115 TRP 639 639 TRP TRP A . A 1 116 SER 640 640 SER SER A . B 2 1 SER 161 161 SER SER B . B 2 2 SER 162 162 SER SER B . B 2 3 SER 163 163 SER SER B . B 2 4 ARG 164 164 ARG ARG B . B 2 5 LYS 165 165 LYS LYS B . B 2 6 LYS 166 166 LYS LYS B . B 2 7 GLY 167 167 GLY GLY B . B 2 8 GLN 168 168 GLN GLN B . B 2 9 HIS 169 169 HIS HIS B . B 2 10 GLY 170 170 GLY GLY B . B 2 11 SER 171 171 SER SER B . B 2 12 GLU 172 172 GLU GLU B . B 2 13 HIS 173 173 HIS HIS B . B 2 14 SER 174 174 SER SER B . B 2 15 LYS 175 175 LYS LYS B . B 2 16 SER 176 176 SER SER B . B 2 17 ARG 177 177 ARG ARG B . B 2 18 SER 178 178 SER SER B . B 2 19 SER 179 179 SER SER B . B 2 20 SER 180 180 SER SER B . B 2 21 PRO 181 181 PRO PRO B . B 2 22 GLY 182 182 GLY GLY B . B 2 23 LYS 183 183 LYS LYS B . B 2 24 PRO 184 184 PRO PRO B . B 2 25 GLN 185 185 GLN GLN B . B 2 26 ALA 186 186 ALA ALA B . B 2 27 VAL 187 187 VAL VAL B . B 2 28 SER 188 188 SER SER B . B 2 29 SER 189 189 SER SER B . B 2 30 LEU 190 190 LEU LEU B . B 2 31 ASN 191 191 ASN ASN B . B 2 32 SER 192 192 SER SER B . B 2 33 SER 193 193 SER SER B . B 2 34 HIS 194 194 HIS HIS B . B 2 35 SER 195 195 SER SER B . B 2 36 ARG 196 196 ARG ARG B . B 2 37 SER 197 197 SER SER B . B 2 38 HIS 198 198 HIS HIS B . B 2 39 GLY 199 199 GLY GLY B . B 2 40 ASN 200 200 ASN ASN B . B 2 41 ASP 201 201 ASP ASP B . B 2 42 HIS 202 202 HIS HIS B . B 2 43 HIS 203 203 HIS HIS B . B 2 44 SER 204 204 SER SER B . B 2 45 LYS 205 205 LYS LYS B . B 2 46 GLU 206 206 GLU GLU B . B 2 47 HIS 207 207 HIS HIS B . B 2 48 GLN 208 208 GLN GLN B . B 2 49 ARG 209 209 ARG ARG B . B 2 50 SER 210 210 SER SER B . B 2 51 LYS 211 211 LYS LYS B . B 2 52 SER 212 212 SER SER B . B 2 53 PRO 213 213 PRO PRO B . B 2 54 ARG 214 214 ARG ARG B . B 2 55 ASP 215 215 ASP ASP B . B 2 56 PRO 216 216 PRO PRO B . B 2 57 ASP 217 217 ASP ASP B . B 2 58 ALA 218 218 ALA ALA B . B 2 59 ASN 219 219 ASN ASN B . B 2 60 TRP 220 220 TRP TRP B . B 2 61 ASP 221 221 ASP ASP B . B 2 62 SER 222 222 SER SER B . B 2 63 PRO 223 223 PRO PRO B . B 2 64 SER 224 224 SER SER B . B 2 65 ARG 225 225 ARG ARG B . B 2 66 VAL 226 226 VAL VAL B . B 2 67 PRO 227 227 PRO PRO B . B 2 68 PHE 228 228 PHE PHE B . B 2 69 SER 229 229 SER SER B . B 2 70 SER 230 230 SER SER B . B 2 71 GLY 231 231 GLY GLY B . B 2 72 GLN 232 232 GLN GLN B . B 2 73 HIS 233 233 HIS HIS B . B 2 74 SER 234 234 SER SER B . B 2 75 THR 235 235 THR THR B . B 2 76 GLN 236 236 GLN GLN B . B 2 77 SER 237 237 SER SER B . B 2 78 PHE 238 238 PHE PHE B . B 2 79 PRO 239 239 PRO PRO B . B 2 80 PRO 240 240 PRO PRO B . B 2 81 SER 241 241 SER SER B . B 2 82 LEU 242 242 LEU LEU B . B 2 83 MET 243 243 MET MET B . B 2 84 SER 244 244 SER SER B . B 2 85 LYS 245 245 LYS LYS B . B 2 86 SER 246 246 SER SER B . B 2 87 ASN 247 247 ASN ASN B . B 2 88 SER 248 248 SER SER B . B 2 89 MET 249 249 MET MET B . B 2 90 LEU 250 250 LEU LEU B . B 2 91 GLN 251 251 GLN GLN B . B 2 92 LYS 252 252 LYS LYS B . B 2 93 PRO 253 253 PRO PRO B . B 2 94 THR 254 254 THR THR B . B 2 95 ALA 255 255 ALA ALA B . B 2 96 TYR 256 256 TYR TYR B . B 2 97 VAL 257 257 VAL VAL B . B 2 98 ARG 258 258 ARG ARG B . B 2 99 PRO 259 259 PRO PRO B . B 2 100 MET 260 260 MET MET B . B 2 101 ASP 261 261 ASP ASP B . B 2 102 GLY 262 262 GLY GLY B . B 2 103 GLN 263 263 GLN GLN B . B 2 104 GLU 264 264 GLU GLU B . B 2 105 SER 265 265 SER SER B . B 2 106 MET 266 266 MET MET B . B 2 107 GLU 267 267 GLU GLU B . B 2 108 PRO 268 268 PRO PRO B . B 2 109 LYS 269 269 LYS LYS B . B 2 110 LEU 270 270 LEU LEU B . B 2 111 SER 271 271 SER SER B . B 2 112 SER 272 272 SER SER B . B 2 113 GLU 273 273 GLU GLU B . B 2 114 HIS 274 274 HIS HIS B . B 2 115 TYR 275 275 TYR TYR B . B 2 116 SER 276 276 SER SER B . B 2 117 SER 277 277 SER SER B . B 2 118 GLN 278 278 GLN GLN B . B 2 119 SER 279 279 SER SER B . B 2 120 HIS 280 280 HIS HIS B . B 2 121 GLY 281 281 GLY GLY B . B 2 122 ASN 282 282 ASN ASN B . B 2 123 SER 283 283 SER SER B . B 2 124 MET 284 284 MET MET B . B 2 125 THR 285 285 THR THR B . B 2 126 GLU 286 286 GLU GLU B . B 2 127 LEU 287 287 LEU LEU B . B 2 128 LYS 288 288 LYS LYS B . B 2 129 PRO 289 289 PRO PRO B . B 2 130 SER 290 290 SER SER B . B 2 131 SER 291 291 SER SER B . B 2 132 LYS 292 292 LYS LYS B . B 2 133 ALA 293 293 ALA ALA B . B 2 134 HIS 294 294 HIS HIS B . B 2 135 LEU 295 295 LEU LEU B . B 2 136 THR 296 296 THR THR B . B 2 137 LYS 297 297 LYS LYS B . B 2 138 LEU 298 298 LEU LEU B . B 2 139 LYS 299 299 LYS LYS B . B 2 140 ILE 300 300 ILE ILE B . B 2 141 PRO 301 301 PRO PRO B . B 2 142 SER 302 302 SER SER B . B 2 143 GLN 303 303 GLN GLN B . B 2 144 PRO 304 304 PRO PRO B . B 2 145 LEU 305 305 LEU LEU B . B 2 146 ASP 306 306 ASP ASP B . B 2 147 ALA 307 307 ALA ALA B . B 2 148 SER 308 308 SER SER B . B 2 149 ALA 309 309 ALA ALA B . B 2 150 SER 310 310 SER SER B . B 2 151 GLY 311 311 GLY GLY B . B 2 152 ASP 312 312 ASP ASP B . B 2 153 VAL 313 313 VAL VAL B . B 2 154 SER 314 314 SER SER B . B 2 155 CYS 315 315 CYS CYS B . B 2 156 VAL 316 316 VAL VAL B . B 2 157 ASP 317 317 ASP ASP B . B 2 158 GLU 318 318 GLU GLU B . B 2 159 ILE 319 319 ILE ILE B . B 2 160 LEU 320 320 LEU LEU B . B 2 161 LYS 321 321 LYS LYS B . B 2 162 GLU 322 322 GLU GLU B . B 2 163 MET 323 323 MET MET B . B 2 164 THR 324 324 THR THR B . B 2 165 HIS 325 325 HIS HIS B . B 2 166 SER 326 326 SER SER B . B 2 167 TRP 327 327 TRP TRP B . B 2 168 PRO 328 328 PRO PRO B . B 2 169 PRO 329 329 PRO PRO B . B 2 170 PRO 330 330 PRO PRO B . B 2 171 LEU 331 331 LEU LEU B . B 2 172 THR 332 332 THR THR B . B 2 173 ALA 333 333 ALA ALA B . B 2 174 ILE 334 334 ILE ILE B . B 2 175 HIS 335 335 HIS HIS B . B 2 176 THR 336 336 THR THR B . B 2 177 PRO 337 337 PRO PRO B . B 2 178 CYS 338 338 CYS CYS B . B 2 179 LYS 339 339 LYS LYS B . B 2 180 THR 340 340 THR THR B . B 2 181 GLU 341 341 GLU GLU B . B 2 182 PRO 342 342 PRO PRO B . B 2 183 SER 343 343 SER SER B . B 2 184 LYS 344 344 LYS LYS B . B 2 185 PHE 345 345 PHE PHE B . B 2 186 PRO 346 346 PRO PRO B . B 2 187 PHE 347 347 PHE PHE B . B 2 188 PRO 348 348 PRO PRO B . B 2 189 THR 349 349 THR THR B . B 2 190 LYS 350 350 LYS LYS B . B 2 191 GLU 351 351 GLU GLU B . B 2 192 SER 352 352 SER SER B . B 2 193 GLN 353 353 GLN GLN B . B 2 194 GLN 354 354 GLN GLN B . B 2 195 SER 355 355 SER SER B . B 2 196 ASN 356 356 ASN ASN B . B 2 197 PHE 357 357 PHE PHE B . B 2 198 GLY 358 358 GLY GLY B . B 2 199 THR 359 359 THR THR B . B 2 200 GLY 360 360 GLY GLY B . loop_ _ma_data.id _ma_data.name _ma_data.content_type 1 'Homo sapiens (Human) ELL2 (O00472; 525 - 640)' target 2 'Homo sapiens (Human) AFF4 (Q9UHB7; 161 - 360)' target 3 'Model 3' 'model coordinates' 4 'Paired MSA for the dimer' 'coevolution MSA' loop_ _ma_data_group.ordinal_id _ma_data_group.group_id _ma_data_group.data_id 1 1 1 2 1 2 3 2 1 4 2 2 5 2 4 6 3 4 7 4 3 loop_ _ma_target_entity.entity_id _ma_target_entity.data_id _ma_target_entity.origin 1 1 'reference database' 2 2 'reference database' loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.entity_id _ma_target_entity_instance.details A 1 . B 2 . loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type _ma_protocol_step.step_name _ma_protocol_step.details _ma_protocol_step.software_group_id _ma_protocol_step.input_data_group_id _ma_protocol_step.output_data_group_id 1 1 1 'coevolution MSA' . 'Create paired MSAs for the dimers' . 1 3 2 1 2 modeling . "Model using AlphaFold ('model 3' parameters; pTM monomer version) with a 200 residue gap between the two chains, without templates and without model relaxation" 1 2 4 loop_ _ma_model_list.ordinal_id _ma_model_list.model_id _ma_model_list.model_group_id _ma_model_list.model_name _ma_model_list.model_group_name _ma_model_list.data_id _ma_model_list.model_type _ma_model_list.model_type_other_details 1 1 1 'Model 3' . 3 'Ab initio model' . loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_seq_id _atom_site.auth_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.label_asym_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.label_entity_id _atom_site.auth_asym_id _atom_site.B_iso_or_equiv _atom_site.pdbx_PDB_model_num ATOM 1 N N . LEU 1 525 ? A 12.845 15.001 -4.886 1.000 1 A 85.129 1 ATOM 2 C CA . LEU 1 525 ? A 12.519 13.969 -5.865 1.000 1 A 85.129 1 ATOM 3 C C . LEU 1 525 ? A 12.742 12.577 -5.282 1.000 1 A 85.129 1 ATOM 4 O O . LEU 1 525 ? A 13.752 12.332 -4.619 1.000 1 A 85.129 1 ATOM 5 C CB . LEU 1 525 ? A 13.361 14.146 -7.131 1.000 1 A 85.129 1 ATOM 6 C CG . LEU 1 525 ? A 12.876 13.404 -8.377 1.000 1 A 85.129 1 ATOM 7 C CD1 . LEU 1 525 ? A 11.682 14.125 -8.992 1.000 1 A 85.129 1 ATOM 8 C CD2 . LEU 1 525 ? A 14.006 13.267 -9.392 1.000 1 A 85.129 1 ATOM 9 N N . PRO 2 526 ? A 11.712 11.623 -5.361 1.000 1 A 93.813 1 ATOM 10 C CA . PRO 2 526 ? A 11.936 10.258 -4.879 1.000 1 A 93.813 1 ATOM 11 C C . PRO 2 526 ? A 13.138 9.588 -5.540 1.000 1 A 93.813 1 ATOM 12 O O . PRO 2 526 ? A 13.402 9.814 -6.724 1.000 1 A 93.813 1 ATOM 13 C CB . PRO 2 526 ? A 10.637 9.537 -5.248 1.000 1 A 93.813 1 ATOM 14 C CG . PRO 2 526 ? A 9.627 10.627 -5.411 1.000 1 A 93.813 1 ATOM 15 C CD . PRO 2 526 ? A 10.333 11.862 -5.895 1.000 1 A 93.813 1 ATOM 16 N N . ASP 3 527 ? A 13.969 8.878 -4.817 1.000 1 A 96.726 1 ATOM 17 C CA . ASP 3 527 ? A 15.210 8.259 -5.271 1.000 1 A 96.726 1 ATOM 18 C C . ASP 3 527 ? A 14.958 7.325 -6.452 1.000 1 A 96.726 1 ATOM 19 O O . ASP 3 527 ? A 15.808 7.189 -7.335 1.000 1 A 96.726 1 ATOM 20 C CB . ASP 3 527 ? A 15.877 7.493 -4.127 1.000 1 A 96.726 1 ATOM 21 C CG . ASP 3 527 ? A 14.987 6.413 -3.537 1.000 1 A 96.726 1 ATOM 22 O OD1 . ASP 3 527 ? A 13.750 6.487 -3.701 1.000 1 A 96.726 1 ATOM 23 O OD2 . ASP 3 527 ? A 15.526 5.483 -2.901 1.000 1 A 96.726 1 ATOM 24 N N . TYR 4 528 ? A 13.841 6.654 -6.467 1.000 1 A 97.551 1 ATOM 25 C CA . TYR 4 528 ? A 13.600 5.680 -7.525 1.000 1 A 97.551 1 ATOM 26 C C . TYR 4 528 ? A 13.463 6.368 -8.878 1.000 1 A 97.551 1 ATOM 27 O O . TYR 4 528 ? A 13.652 5.740 -9.923 1.000 1 A 97.551 1 ATOM 28 C CB . TYR 4 528 ? A 12.341 4.860 -7.227 1.000 1 A 97.551 1 ATOM 29 C CG . TYR 4 528 ? A 11.077 5.683 -7.188 1.000 1 A 97.551 1 ATOM 30 C CD1 . TYR 4 528 ? A 10.523 6.089 -5.976 1.000 1 A 97.551 1 ATOM 31 C CD2 . TYR 4 528 ? A 10.433 6.056 -8.363 1.000 1 A 97.551 1 ATOM 32 C CE1 . TYR 4 528 ? A 9.356 6.845 -5.935 1.000 1 A 97.551 1 ATOM 33 C CE2 . TYR 4 528 ? A 9.266 6.813 -8.334 1.000 1 A 97.551 1 ATOM 34 C CZ . TYR 4 528 ? A 8.736 7.202 -7.118 1.000 1 A 97.551 1 ATOM 35 O OH . TYR 4 528 ? A 7.581 7.951 -7.084 1.000 1 A 97.551 1 ATOM 36 N N . LEU 5 529 ? A 13.118 7.657 -8.936 1.000 1 A 97.508 1 ATOM 37 C CA . LEU 5 529 ? A 13.020 8.391 -10.193 1.000 1 A 97.508 1 ATOM 38 C C . LEU 5 529 ? A 14.401 8.620 -10.797 1.000 1 A 97.508 1 ATOM 39 O O . LEU 5 529 ? A 14.551 8.650 -12.021 1.000 1 A 97.508 1 ATOM 40 C CB . LEU 5 529 ? A 12.315 9.733 -9.977 1.000 1 A 97.508 1 ATOM 41 C CG . LEU 5 529 ? A 10.822 9.669 -9.652 1.000 1 A 97.508 1 ATOM 42 C CD1 . LEU 5 529 ? A 10.274 11.071 -9.407 1.000 1 A 97.508 1 ATOM 43 C CD2 . LEU 5 529 ? A 10.058 8.980 -10.778 1.000 1 A 97.508 1 ATOM 44 N N . ILE 6 530 ? A 15.331 8.726 -9.973 1.000 1 A 97.421 1 ATOM 45 C CA . ILE 6 530 ? A 16.706 8.934 -10.415 1.000 1 A 97.421 1 ATOM 46 C C . ILE 6 530 ? A 17.340 7.593 -10.777 1.000 1 A 97.421 1 ATOM 47 O O . ILE 6 530 ? A 18.063 7.489 -11.771 1.000 1 A 97.421 1 ATOM 48 C CB . ILE 6 530 ? A 17.546 9.649 -9.333 1.000 1 A 97.421 1 ATOM 49 C CG1 . ILE 6 530 ? A 16.938 11.017 -9.003 1.000 1 A 97.421 1 ATOM 50 C CG2 . ILE 6 530 ? A 19.002 9.791 -9.787 1.000 1 A 97.421 1 ATOM 51 C CD1 . ILE 6 530 ? A 17.523 11.670 -7.758 1.000 1 A 97.421 1 ATOM 52 N N . LYS 7 531 ? A 17.059 6.624 -10.044 1.000 1 A 97.518 1 ATOM 53 C CA . LYS 7 531 ? A 17.649 5.297 -10.201 1.000 1 A 97.518 1 ATOM 54 C C . LYS 7 531 ? A 17.096 4.592 -11.436 1.000 1 A 97.518 1 ATOM 55 O O . LYS 7 531 ? A 17.844 3.958 -12.183 1.000 1 A 97.518 1 ATOM 56 C CB . LYS 7 531 ? A 17.397 4.447 -8.955 1.000 1 A 97.518 1 ATOM 57 C CG . LYS 7 531 ? A 17.980 3.044 -9.034 1.000 1 A 97.518 1 ATOM 58 C CD . LYS 7 531 ? A 17.742 2.266 -7.747 1.000 1 A 97.518 1 ATOM 59 C CE . LYS 7 531 ? A 18.276 0.843 -7.845 1.000 1 A 97.518 1 ATOM 60 N NZ . LYS 7 531 ? A 18.092 0.092 -6.567 1.000 1 A 97.518 1 ATOM 61 N N . TYR 8 532 ? A 15.829 4.668 -11.635 1.000 1 A 98.094 1 ATOM 62 C CA . TYR 8 532 ? A 15.173 3.962 -12.730 1.000 1 A 98.094 1 ATOM 63 C C . TYR 8 532 ? A 14.842 4.916 -13.872 1.000 1 A 98.094 1 ATOM 64 O O . TYR 8 532 ? A 13.806 5.585 -13.850 1.000 1 A 98.094 1 ATOM 65 C CB . TYR 8 532 ? A 13.896 3.274 -12.238 1.000 1 A 98.094 1 ATOM 66 C CG . TYR 8 532 ? A 14.142 2.220 -11.186 1.000 1 A 98.094 1 ATOM 67 C CD1 . TYR 8 532 ? A 14.625 0.960 -11.533 1.000 1 A 98.094 1 ATOM 68 C CD2 . TYR 8 532 ? A 13.891 2.480 -9.843 1.000 1 A 98.094 1 ATOM 69 C CE1 . TYR 8 532 ? A 14.852 -0.015 -10.567 1.000 1 A 98.094 1 ATOM 70 C CE2 . TYR 8 532 ? A 14.113 1.513 -8.869 1.000 1 A 98.094 1 ATOM 71 C CZ . TYR 8 532 ? A 14.593 0.271 -9.240 1.000 1 A 98.094 1 ATOM 72 O OH . TYR 8 532 ? A 14.816 -0.691 -8.279 1.000 1 A 98.094 1 ATOM 73 N N . ILE 9 533 ? A 15.741 4.949 -14.797 1.000 1 A 97.524 1 ATOM 74 C CA . ILE 9 533 ? A 15.605 5.827 -15.954 1.000 1 A 97.524 1 ATOM 75 C C . ILE 9 533 ? A 15.125 5.021 -17.159 1.000 1 A 97.524 1 ATOM 76 O O . ILE 9 533 ? A 14.905 3.812 -17.058 1.000 1 A 97.524 1 ATOM 77 C CB . ILE 9 533 ? A 16.936 6.540 -16.281 1.000 1 A 97.524 1 ATOM 78 C CG1 . ILE 9 533 ? A 18.033 5.512 -16.581 1.000 1 A 97.524 1 ATOM 79 C CG2 . ILE 9 533 ? A 17.351 7.463 -15.132 1.000 1 A 97.524 1 ATOM 80 C CD1 . ILE 9 533 ? A 19.295 6.112 -17.187 1.000 1 A 97.524 1 ATOM 81 N N . ALA 10 534 ? A 14.902 5.743 -18.251 1.000 1 A 97.895 1 ATOM 82 C CA . ALA 10 534 ? A 14.432 5.105 -19.477 1.000 1 A 97.895 1 ATOM 83 C C . ALA 10 534 ? A 15.340 3.945 -19.875 1.000 1 A 97.895 1 ATOM 84 O O . ALA 10 534 ? A 16.566 4.080 -19.878 1.000 1 A 97.895 1 ATOM 85 C CB . ALA 10 534 ? A 14.350 6.125 -20.610 1.000 1 A 97.895 1 ATOM 86 N N . ILE 11 535 ? A 14.711 2.781 -20.143 1.000 1 A 98.255 1 ATOM 87 C CA . ILE 11 535 ? A 15.422 1.548 -20.463 1.000 1 A 98.255 1 ATOM 88 C C . ILE 11 535 ? A 16.051 1.660 -21.850 1.000 1 A 98.255 1 ATOM 89 O O . ILE 11 535 ? A 15.383 2.051 -22.811 1.000 1 A 98.255 1 ATOM 90 C CB . ILE 11 535 ? A 14.485 0.322 -20.396 1.000 1 A 98.255 1 ATOM 91 C CG1 . ILE 11 535 ? A 13.932 0.148 -18.977 1.000 1 A 98.255 1 ATOM 92 C CG2 . ILE 11 535 ? A 15.216 -0.942 -20.858 1.000 1 A 98.255 1 ATOM 93 C CD1 . ILE 11 535 ? A 12.855 -0.921 -18.859 1.000 1 A 98.255 1 ATOM 94 N N . VAL 12 536 ? A 17.345 1.251 -21.973 1.000 1 A 97.306 1 ATOM 95 C CA . VAL 12 536 ? A 18.056 1.384 -23.241 1.000 1 A 97.306 1 ATOM 96 C C . VAL 12 536 ? A 18.541 0.013 -23.708 1.000 1 A 97.306 1 ATOM 97 O O . VAL 12 536 ? A 19.034 -0.129 -24.830 1.000 1 A 97.306 1 ATOM 98 C CB . VAL 12 536 ? A 19.249 2.359 -23.123 1.000 1 A 97.306 1 ATOM 99 C CG1 . VAL 12 536 ? A 18.760 3.777 -22.834 1.000 1 A 97.306 1 ATOM 100 C CG2 . VAL 12 536 ? A 20.215 1.891 -22.036 1.000 1 A 97.306 1 ATOM 101 N N . SER 13 537 ? A 18.482 -1.015 -22.825 1.000 1 A 97.702 1 ATOM 102 C CA . SER 13 537 ? A 18.943 -2.354 -23.176 1.000 1 A 97.702 1 ATOM 103 C C . SER 13 537 ? A 18.063 -3.426 -22.543 1.000 1 A 97.702 1 ATOM 104 O O . SER 13 537 ? A 17.341 -3.155 -21.581 1.000 1 A 97.702 1 ATOM 105 C CB . SER 13 537 ? A 20.396 -2.552 -22.741 1.000 1 A 97.702 1 ATOM 106 O OG . SER 13 537 ? A 20.495 -2.606 -21.329 1.000 1 A 97.702 1 ATOM 107 N N . TYR 14 538 ? A 18.110 -4.697 -23.161 1.000 1 A 97.649 1 ATOM 108 C CA . TYR 14 538 ? A 17.358 -5.828 -22.630 1.000 1 A 97.649 1 ATOM 109 C C . TYR 14 538 ? A 17.891 -6.245 -21.264 1.000 1 A 97.649 1 ATOM 110 O O . TYR 14 538 ? A 17.128 -6.690 -20.403 1.000 1 A 97.649 1 ATOM 111 C CB . TYR 14 538 ? A 17.416 -7.014 -23.597 1.000 1 A 97.649 1 ATOM 112 C CG . TYR 14 538 ? A 16.495 -6.876 -24.784 1.000 1 A 97.649 1 ATOM 113 C CD1 . TYR 14 538 ? A 15.128 -7.118 -24.662 1.000 1 A 97.649 1 ATOM 114 C CD2 . TYR 14 538 ? A 16.988 -6.503 -26.030 1.000 1 A 97.649 1 ATOM 115 C CE1 . TYR 14 538 ? A 14.275 -6.993 -25.754 1.000 1 A 97.649 1 ATOM 116 C CE2 . TYR 14 538 ? A 16.144 -6.375 -27.129 1.000 1 A 97.649 1 ATOM 117 C CZ . TYR 14 538 ? A 14.792 -6.621 -26.981 1.000 1 A 97.649 1 ATOM 118 O OH . TYR 14 538 ? A 13.952 -6.496 -28.065 1.000 1 A 97.649 1 ATOM 119 N N . GLU 15 539 ? A 19.149 -6.164 -21.070 1.000 1 A 98.350 1 ATOM 120 C CA . GLU 15 539 ? A 19.745 -6.479 -19.775 1.000 1 A 98.350 1 ATOM 121 C C . GLU 15 539 ? A 19.201 -5.565 -18.681 1.000 1 A 98.350 1 ATOM 122 O O . GLU 15 539 ? A 18.859 -6.029 -17.591 1.000 1 A 98.350 1 ATOM 123 C CB . GLU 15 539 ? A 21.270 -6.368 -19.844 1.000 1 A 98.350 1 ATOM 124 C CG . GLU 15 539 ? A 21.975 -6.785 -18.561 1.000 1 A 98.350 1 ATOM 125 C CD . GLU 15 539 ? A 23.488 -6.657 -18.639 1.000 1 A 98.350 1 ATOM 126 O OE1 . GLU 15 539 ? A 24.179 -7.009 -17.656 1.000 1 A 98.350 1 ATOM 127 O OE2 . GLU 15 539 ? A 23.987 -6.199 -19.692 1.000 1 A 98.350 1 ATOM 128 N N . GLN 16 540 ? A 19.148 -4.231 -19.053 1.000 1 A 98.422 1 ATOM 129 C CA . GLN 16 540 ? A 18.583 -3.259 -18.122 1.000 1 A 98.422 1 ATOM 130 C C . GLN 16 540 ? A 17.116 -3.562 -17.834 1.000 1 A 98.422 1 ATOM 131 O O . GLN 16 540 ? A 16.678 -3.499 -16.684 1.000 1 A 98.422 1 ATOM 132 C CB . GLN 16 540 ? A 18.728 -1.840 -18.674 1.000 1 A 98.422 1 ATOM 133 C CG . GLN 16 540 ? A 18.356 -0.752 -17.676 1.000 1 A 98.422 1 ATOM 134 C CD . GLN 16 540 ? A 18.600 0.646 -18.214 1.000 1 A 98.422 1 ATOM 135 O OE1 . GLN 16 540 ? A 18.593 0.868 -19.429 1.000 1 A 98.422 1 ATOM 136 N NE2 . GLN 16 540 ? A 18.818 1.598 -17.314 1.000 1 A 98.422 1 ATOM 137 N N . ARG 17 541 ? A 16.432 -3.904 -18.852 1.000 1 A 98.326 1 ATOM 138 C CA . ARG 17 541 ? A 15.028 -4.279 -18.717 1.000 1 A 98.326 1 ATOM 139 C C . ARG 17 541 ? A 14.862 -5.442 -17.744 1.000 1 A 98.326 1 ATOM 140 O O . ARG 17 541 ? A 13.980 -5.417 -16.883 1.000 1 A 98.326 1 ATOM 141 C CB . ARG 17 541 ? A 14.436 -4.647 -20.079 1.000 1 A 98.326 1 ATOM 142 C CG . ARG 17 541 ? A 12.975 -5.063 -20.023 1.000 1 A 98.326 1 ATOM 143 C CD . ARG 17 541 ? A 12.602 -5.971 -21.187 1.000 1 A 98.326 1 ATOM 144 N NE . ARG 17 541 ? A 11.179 -6.298 -21.182 1.000 1 A 98.326 1 ATOM 145 C CZ . ARG 17 541 ? A 10.638 -7.315 -20.517 1.000 1 A 98.326 1 ATOM 146 N NH1 . ARG 17 541 ? A 11.393 -8.127 -19.787 1.000 1 A 98.326 1 ATOM 147 N NH2 . ARG 17 541 ? A 9.331 -7.521 -20.582 1.000 1 A 98.326 1 ATOM 148 N N . GLN 18 542 ? A 15.606 -6.476 -17.863 1.000 1 A 98.419 1 ATOM 149 C CA . GLN 18 542 ? A 15.551 -7.648 -16.995 1.000 1 A 98.419 1 ATOM 150 C C . GLN 18 542 ? A 15.914 -7.285 -15.558 1.000 1 A 98.419 1 ATOM 151 O O . GLN 18 542 ? A 15.297 -7.779 -14.612 1.000 1 A 98.419 1 ATOM 152 C CB . GLN 18 542 ? A 16.485 -8.743 -17.512 1.000 1 A 98.419 1 ATOM 153 C CG . GLN 18 542 ? A 16.320 -10.079 -16.800 1.000 1 A 98.419 1 ATOM 154 C CD . GLN 18 542 ? A 14.907 -10.624 -16.896 1.000 1 A 98.419 1 ATOM 155 O OE1 . GLN 18 542 ? A 14.297 -10.617 -17.969 1.000 1 A 98.419 1 ATOM 156 N NE2 . GLN 18 542 ? A 14.377 -11.100 -15.774 1.000 1 A 98.419 1 ATOM 157 N N . ASN 19 543 ? A 16.882 -6.496 -15.343 1.000 1 A 98.430 1 ATOM 158 C CA . ASN 19 543 ? A 17.248 -6.042 -14.005 1.000 1 A 98.430 1 ATOM 159 C C . ASN 19 543 ? A 16.092 -5.315 -13.325 1.000 1 A 98.430 1 ATOM 160 O O . ASN 19 543 ? A 15.839 -5.517 -12.136 1.000 1 A 98.430 1 ATOM 161 C CB . ASN 19 543 ? A 18.483 -5.141 -14.063 1.000 1 A 98.430 1 ATOM 162 C CG . ASN 19 543 ? A 19.751 -5.907 -14.384 1.000 1 A 98.430 1 ATOM 163 O OD1 . ASN 19 543 ? A 19.855 -7.104 -14.105 1.000 1 A 98.430 1 ATOM 164 N ND2 . ASN 19 543 ? A 20.724 -5.222 -14.974 1.000 1 A 98.430 1 ATOM 165 N N . TYR 20 544 ? A 15.480 -4.377 -14.107 1.000 1 A 98.564 1 ATOM 166 C CA . TYR 20 544 ? A 14.316 -3.683 -13.567 1.000 1 A 98.564 1 ATOM 167 C C . TYR 20 544 ? A 13.229 -4.673 -13.165 1.000 1 A 98.564 1 ATOM 168 O O . TYR 20 544 ? A 12.605 -4.525 -12.112 1.000 1 A 98.564 1 ATOM 169 C CB . TYR 20 544 ? A 13.763 -2.686 -14.589 1.000 1 A 98.564 1 ATOM 170 C CG . TYR 20 544 ? A 14.556 -1.405 -14.678 1.000 1 A 98.564 1 ATOM 171 C CD1 . TYR 20 544 ? A 15.839 -1.318 -14.143 1.000 1 A 98.564 1 ATOM 172 C CD2 . TYR 20 544 ? A 14.023 -0.278 -15.296 1.000 1 A 98.564 1 ATOM 173 C CE1 . TYR 20 544 ? A 16.573 -0.139 -14.221 1.000 1 A 98.564 1 ATOM 174 C CE2 . TYR 20 544 ? A 14.748 0.906 -15.380 1.000 1 A 98.564 1 ATOM 175 C CZ . TYR 20 544 ? A 16.020 0.966 -14.841 1.000 1 A 98.564 1 ATOM 176 O OH . TYR 20 544 ? A 16.742 2.136 -14.920 1.000 1 A 98.564 1 ATOM 177 N N . LYS 21 545 ? A 12.988 -5.589 -13.983 1.000 1 A 98.276 1 ATOM 178 C CA . LYS 21 545 ? A 12.005 -6.630 -13.697 1.000 1 A 98.276 1 ATOM 179 C C . LYS 21 545 ? A 12.357 -7.381 -12.416 1.000 1 A 98.276 1 ATOM 180 O O . LYS 21 545 ? A 11.489 -7.628 -11.576 1.000 1 A 98.276 1 ATOM 181 C CB . LYS 21 545 ? A 11.903 -7.609 -14.867 1.000 1 A 98.276 1 ATOM 182 C CG . LYS 21 545 ? A 10.796 -8.642 -14.716 1.000 1 A 98.276 1 ATOM 183 C CD . LYS 21 545 ? A 10.679 -9.521 -15.955 1.000 1 A 98.276 1 ATOM 184 C CE . LYS 21 545 ? A 9.526 -10.508 -15.834 1.000 1 A 98.276 1 ATOM 185 N NZ . LYS 21 545 ? A 9.998 -11.863 -15.420 1.000 1 A 98.276 1 ATOM 186 N N . ASP 22 546 ? A 13.572 -7.786 -12.282 1.000 1 A 98.334 1 ATOM 187 C CA . ASP 22 546 ? A 14.026 -8.475 -11.078 1.000 1 A 98.334 1 ATOM 188 C C . ASP 22 546 ? A 13.814 -7.609 -9.838 1.000 1 A 98.334 1 ATOM 189 O O . ASP 22 546 ? A 13.383 -8.105 -8.795 1.000 1 A 98.334 1 ATOM 190 C CB . ASP 22 546 ? A 15.502 -8.860 -11.204 1.000 1 A 98.334 1 ATOM 191 C CG . ASP 22 546 ? A 15.749 -9.922 -12.262 1.000 1 A 98.334 1 ATOM 192 O OD1 . ASP 22 546 ? A 14.791 -10.618 -12.663 1.000 1 A 98.334 1 ATOM 193 O OD2 . ASP 22 546 ? A 16.912 -10.065 -12.696 1.000 1 A 98.334 1 ATOM 194 N N . ASP 23 547 ? A 14.167 -6.344 -9.950 1.000 1 A 98.148 1 ATOM 195 C CA . ASP 23 547 ? A 13.975 -5.425 -8.832 1.000 1 A 98.148 1 ATOM 196 C C . ASP 23 547 ? A 12.495 -5.286 -8.483 1.000 1 A 98.148 1 ATOM 197 O O . ASP 23 547 ? A 12.133 -5.219 -7.307 1.000 1 A 98.148 1 ATOM 198 C CB . ASP 23 547 ? A 14.571 -4.053 -9.156 1.000 1 A 98.148 1 ATOM 199 C CG . ASP 23 547 ? A 16.089 -4.052 -9.158 1.000 1 A 98.148 1 ATOM 200 O OD1 . ASP 23 547 ? A 16.701 -5.028 -8.673 1.000 1 A 98.148 1 ATOM 201 O OD2 . ASP 23 547 ? A 16.680 -3.064 -9.646 1.000 1 A 98.148 1 ATOM 202 N N . PHE 24 548 ? A 11.633 -5.178 -9.516 1.000 1 A 98.438 1 ATOM 203 C CA . PHE 24 548 ? A 10.190 -5.136 -9.312 1.000 1 A 98.438 1 ATOM 204 C C . PHE 24 548 ? A 9.721 -6.346 -8.513 1.000 1 A 98.438 1 ATOM 205 O O . PHE 24 548 ? A 9.022 -6.200 -7.508 1.000 1 A 98.438 1 ATOM 206 C CB . PHE 24 548 ? A 9.457 -5.078 -10.656 1.000 1 A 98.438 1 ATOM 207 C CG . PHE 24 548 ? A 7.962 -4.970 -10.527 1.000 1 A 98.438 1 ATOM 208 C CD1 . PHE 24 548 ? A 7.185 -6.102 -10.311 1.000 1 A 98.438 1 ATOM 209 C CD2 . PHE 24 548 ? A 7.332 -3.736 -10.623 1.000 1 A 98.438 1 ATOM 210 C CE1 . PHE 24 548 ? A 5.801 -6.005 -10.191 1.000 1 A 98.438 1 ATOM 211 C CE2 . PHE 24 548 ? A 5.949 -3.631 -10.504 1.000 1 A 98.438 1 ATOM 212 C CZ . PHE 24 548 ? A 5.185 -4.767 -10.290 1.000 1 A 98.438 1 ATOM 213 N N . ASN 25 549 ? A 10.158 -7.480 -8.933 1.000 1 A 97.950 1 ATOM 214 C CA . ASN 25 549 ? A 9.721 -8.724 -8.308 1.000 1 A 97.950 1 ATOM 215 C C . ASN 25 549 ? A 10.252 -8.852 -6.883 1.000 1 A 97.950 1 ATOM 216 O O . ASN 25 549 ? A 9.561 -9.370 -6.003 1.000 1 A 97.950 1 ATOM 217 C CB . ASN 25 549 ? A 10.156 -9.927 -9.147 1.000 1 A 97.950 1 ATOM 218 C CG . ASN 25 549 ? A 9.366 -10.058 -10.434 1.000 1 A 97.950 1 ATOM 219 O OD1 . ASN 25 549 ? A 8.199 -9.662 -10.504 1.000 1 A 97.950 1 ATOM 220 N ND2 . ASN 25 549 ? A 9.996 -10.613 -11.463 1.000 1 A 97.950 1 ATOM 221 N N . ALA 26 550 ? A 11.432 -8.386 -6.646 1.000 1 A 98.062 1 ATOM 222 C CA . ALA 26 550 ? A 12.060 -8.468 -5.330 1.000 1 A 98.062 1 ATOM 223 C C . ALA 26 550 ? A 11.263 -7.682 -4.293 1.000 1 A 98.062 1 ATOM 224 O O . ALA 26 550 ? A 11.198 -8.072 -3.125 1.000 1 A 98.062 1 ATOM 225 C CB . ALA 26 550 ? A 13.497 -7.956 -5.393 1.000 1 A 98.062 1 ATOM 226 N N . GLU 27 551 ? A 10.634 -6.634 -4.652 1.000 1 A 97.639 1 ATOM 227 C CA . GLU 27 551 ? A 9.966 -5.746 -3.705 1.000 1 A 97.639 1 ATOM 228 C C . GLU 27 551 ? A 8.451 -5.927 -3.753 1.000 1 A 97.639 1 ATOM 229 O O . GLU 27 551 ? A 7.734 -5.433 -2.881 1.000 1 A 97.639 1 ATOM 230 C CB . GLU 27 551 ? A 10.330 -4.286 -3.988 1.000 1 A 97.639 1 ATOM 231 C CG . GLU 27 551 ? A 11.783 -3.946 -3.689 1.000 1 A 97.639 1 ATOM 232 C CD . GLU 27 551 ? A 12.105 -2.472 -3.877 1.000 1 A 97.639 1 ATOM 233 O OE1 . GLU 27 551 ? A 13.196 -2.030 -3.452 1.000 1 A 97.639 1 ATOM 234 O OE2 . GLU 27 551 ? A 11.258 -1.753 -4.453 1.000 1 A 97.639 1 ATOM 235 N N . TYR 28 552 ? A 7.992 -6.638 -4.763 1.000 1 A 97.768 1 ATOM 236 C CA . TYR 28 552 ? A 6.561 -6.810 -4.985 1.000 1 A 97.768 1 ATOM 237 C C . TYR 28 552 ? A 5.908 -7.527 -3.810 1.000 1 A 97.768 1 ATOM 238 O O . TYR 28 552 ? A 4.804 -7.169 -3.392 1.000 1 A 97.768 1 ATOM 239 C CB . TYR 28 552 ? A 6.307 -7.589 -6.279 1.000 1 A 97.768 1 ATOM 240 C CG . TYR 28 552 ? A 4.850 -7.673 -6.662 1.000 1 A 97.768 1 ATOM 241 C CD1 . TYR 28 552 ? A 4.184 -8.896 -6.684 1.000 1 A 97.768 1 ATOM 242 C CD2 . TYR 28 552 ? A 4.135 -6.529 -7.003 1.000 1 A 97.768 1 ATOM 243 C CE1 . TYR 28 552 ? A 2.841 -8.979 -7.038 1.000 1 A 97.768 1 ATOM 244 C CE2 . TYR 28 552 ? A 2.792 -6.600 -7.359 1.000 1 A 97.768 1 ATOM 245 C CZ . TYR 28 552 ? A 2.155 -7.827 -7.372 1.000 1 A 97.768 1 ATOM 246 O OH . TYR 28 552 ? A 0.826 -7.903 -7.723 1.000 1 A 97.768 1 ATOM 247 N N . ASP 29 553 ? A 6.550 -8.476 -3.219 1.000 1 A 97.569 1 ATOM 248 C CA . ASP 29 553 ? A 5.975 -9.218 -2.101 1.000 1 A 97.569 1 ATOM 249 C C . ASP 29 553 ? A 5.724 -8.302 -0.905 1.000 1 A 97.569 1 ATOM 250 O O . ASP 29 553 ? A 4.678 -8.389 -0.259 1.000 1 A 97.569 1 ATOM 251 C CB . ASP 29 553 ? A 6.893 -10.372 -1.695 1.000 1 A 97.569 1 ATOM 252 C CG . ASP 29 553 ? A 6.869 -11.525 -2.684 1.000 1 A 97.569 1 ATOM 253 O OD1 . ASP 29 553 ? A 5.890 -11.650 -3.450 1.000 1 A 97.569 1 ATOM 254 O OD2 . ASP 29 553 ? A 7.837 -12.316 -2.694 1.000 1 A 97.569 1 ATOM 255 N N . GLU 30 554 ? A 6.683 -7.522 -0.646 1.000 1 A 97.883 1 ATOM 256 C CA . GLU 30 554 ? A 6.509 -6.560 0.438 1.000 1 A 97.883 1 ATOM 257 C C . GLU 30 554 ? A 5.337 -5.622 0.160 1.000 1 A 97.883 1 ATOM 258 O O . GLU 30 554 ? A 4.528 -5.350 1.050 1.000 1 A 97.883 1 ATOM 259 C CB . GLU 30 554 ? A 7.791 -5.751 0.650 1.000 1 A 97.883 1 ATOM 260 C CG . GLU 30 554 ? A 7.702 -4.745 1.789 1.000 1 A 97.883 1 ATOM 261 C CD . GLU 30 554 ? A 8.972 -3.930 1.970 1.000 1 A 97.883 1 ATOM 262 O OE1 . GLU 30 554 ? A 8.979 -2.992 2.800 1.000 1 A 97.883 1 ATOM 263 O OE2 . GLU 30 554 ? A 9.970 -4.231 1.277 1.000 1 A 97.883 1 ATOM 264 N N . TYR 31 555 ? A 5.269 -5.127 -1.016 1.000 1 A 97.817 1 ATOM 265 C CA . TYR 31 555 ? A 4.178 -4.234 -1.390 1.000 1 A 97.817 1 ATOM 266 C C . TYR 31 555 ? A 2.828 -4.916 -1.203 1.000 1 A 97.817 1 ATOM 267 O O . TYR 31 555 ? A 1.916 -4.347 -0.598 1.000 1 A 97.817 1 ATOM 268 C CB . TYR 31 555 ? A 4.333 -3.773 -2.842 1.000 1 A 97.817 1 ATOM 269 C CG . TYR 31 555 ? A 3.105 -3.095 -3.398 1.000 1 A 97.817 1 ATOM 270 C CD1 . TYR 31 555 ? A 2.302 -3.731 -4.342 1.000 1 A 97.817 1 ATOM 271 C CD2 . TYR 31 555 ? A 2.746 -1.818 -2.983 1.000 1 A 97.817 1 ATOM 272 C CE1 . TYR 31 555 ? A 1.170 -3.110 -4.859 1.000 1 A 97.817 1 ATOM 273 C CE2 . TYR 31 555 ? A 1.616 -1.186 -3.493 1.000 1 A 97.817 1 ATOM 274 C CZ . TYR 31 555 ? A 0.835 -1.839 -4.429 1.000 1 A 97.817 1 ATOM 275 O OH . TYR 31 555 ? A -0.284 -1.219 -4.938 1.000 1 A 97.817 1 ATOM 276 N N . ARG 32 556 ? A 2.728 -6.132 -1.659 1.000 1 A 97.505 1 ATOM 277 C CA . ARG 32 556 ? A 1.460 -6.852 -1.583 1.000 1 A 97.505 1 ATOM 278 C C . ARG 32 556 ? A 1.021 -7.036 -0.134 1.000 1 A 97.505 1 ATOM 279 O O . ARG 32 556 ? A -0.153 -6.847 0.193 1.000 1 A 97.505 1 ATOM 280 C CB . ARG 32 556 ? A 1.572 -8.213 -2.273 1.000 1 A 97.505 1 ATOM 281 C CG . ARG 32 556 ? A 1.563 -8.135 -3.792 1.000 1 A 97.505 1 ATOM 282 C CD . ARG 32 556 ? A 0.450 -8.983 -4.393 1.000 1 A 97.505 1 ATOM 283 N NE . ARG 32 556 ? A 0.539 -10.375 -3.962 1.000 1 A 97.505 1 ATOM 284 C CZ . ARG 32 556 ? A 0.348 -11.427 -4.752 1.000 1 A 97.505 1 ATOM 285 N NH1 . ARG 32 556 ? A 0.050 -11.265 -6.036 1.000 1 A 97.505 1 ATOM 286 N NH2 . ARG 32 556 ? A 0.453 -12.651 -4.255 1.000 1 A 97.505 1 ATOM 287 N N . ALA 33 557 ? A 1.909 -7.392 0.656 1.000 1 A 96.917 1 ATOM 288 C CA . ALA 33 557 ? A 1.610 -7.613 2.068 1.000 1 A 96.917 1 ATOM 289 C C . ALA 33 557 ? A 1.192 -6.315 2.751 1.000 1 A 96.917 1 ATOM 290 O O . ALA 33 557 ? A 0.206 -6.285 3.492 1.000 1 A 96.917 1 ATOM 291 C CB . ALA 33 557 ? A 2.818 -8.219 2.779 1.000 1 A 96.917 1 ATOM 292 N N . LEU 34 558 ? A 1.941 -5.250 2.495 1.000 1 A 96.500 1 ATOM 293 C CA . LEU 34 558 ? A 1.627 -3.956 3.090 1.000 1 A 96.500 1 ATOM 294 C C . LEU 34 558 ? A 0.273 -3.449 2.606 1.000 1 A 96.500 1 ATOM 295 O O . LEU 34 558 ? A -0.522 -2.937 3.398 1.000 1 A 96.500 1 ATOM 296 C CB . LEU 34 558 ? A 2.717 -2.934 2.755 1.000 1 A 96.500 1 ATOM 297 C CG . LEU 34 558 ? A 4.003 -3.019 3.579 1.000 1 A 96.500 1 ATOM 298 C CD1 . LEU 34 558 ? A 5.069 -2.099 2.993 1.000 1 A 96.500 1 ATOM 299 C CD2 . LEU 34 558 ? A 3.728 -2.667 5.037 1.000 1 A 96.500 1 ATOM 300 N N . HIS 35 559 ? A 0.080 -3.563 1.291 1.000 1 A 96.074 1 ATOM 301 C CA . HIS 35 559 ? A -1.185 -3.115 0.719 1.000 1 A 96.074 1 ATOM 302 C C . HIS 35 559 ? A -2.364 -3.862 1.335 1.000 1 A 96.074 1 ATOM 303 O O . HIS 35 559 ? A -3.384 -3.254 1.668 1.000 1 A 96.074 1 ATOM 304 C CB . HIS 35 559 ? A -1.182 -3.300 -0.799 1.000 1 A 96.074 1 ATOM 305 C CG . HIS 35 559 ? A -2.393 -2.739 -1.475 1.000 1 A 96.074 1 ATOM 306 N ND1 . HIS 35 559 ? A -3.546 -3.470 -1.662 1.000 1 A 96.074 1 ATOM 307 C CD2 . HIS 35 559 ? A -2.629 -1.516 -2.004 1.000 1 A 96.074 1 ATOM 308 C CE1 . HIS 35 559 ? A -4.441 -2.718 -2.281 1.000 1 A 96.074 1 ATOM 309 N NE2 . HIS 35 559 ? A -3.909 -1.528 -2.500 1.000 1 A 96.074 1 ATOM 310 N N . ALA 36 560 ? A -2.248 -5.157 1.452 1.000 1 A 95.513 1 ATOM 311 C CA . ALA 36 560 ? A -3.306 -5.972 2.044 1.000 1 A 95.513 1 ATOM 312 C C . ALA 36 560 ? A -3.620 -5.515 3.466 1.000 1 A 95.513 1 ATOM 313 O O . ALA 36 560 ? A -4.789 -5.411 3.847 1.000 1 A 95.513 1 ATOM 314 C CB . ALA 36 560 ? A -2.908 -7.446 2.039 1.000 1 A 95.513 1 ATOM 315 N N . ARG 37 561 ? A -2.652 -5.290 4.219 1.000 1 A 94.687 1 ATOM 316 C CA . ARG 37 561 ? A -2.838 -4.838 5.594 1.000 1 A 94.687 1 ATOM 317 C C . ARG 37 561 ? A -3.522 -3.475 5.634 1.000 1 A 94.687 1 ATOM 318 O O . ARG 37 561 ? A -4.463 -3.270 6.403 1.000 1 A 94.687 1 ATOM 319 C CB . ARG 37 561 ? A -1.495 -4.771 6.325 1.000 1 A 94.687 1 ATOM 320 C CG . ARG 37 561 ? A -1.616 -4.478 7.812 1.000 1 A 94.687 1 ATOM 321 C CD . ARG 37 561 ? A -0.259 -4.483 8.500 1.000 1 A 94.687 1 ATOM 322 N NE . ARG 37 561 ? A -0.331 -3.904 9.839 1.000 1 A 94.687 1 ATOM 323 C CZ . ARG 37 561 ? A 0.681 -3.309 10.463 1.000 1 A 94.687 1 ATOM 324 N NH1 . ARG 37 561 ? A 1.869 -3.203 9.880 1.000 1 A 94.687 1 ATOM 325 N NH2 . ARG 37 561 ? A 0.505 -2.817 11.681 1.000 1 A 94.687 1 ATOM 326 N N . MET 38 562 ? A -2.995 -2.503 4.826 1.000 1 A 94.584 1 ATOM 327 C CA . MET 38 562 ? A -3.574 -1.164 4.771 1.000 1 A 94.584 1 ATOM 328 C C . MET 38 562 ? A -5.034 -1.220 4.335 1.000 1 A 94.584 1 ATOM 329 O O . MET 38 562 ? A -5.873 -0.489 4.865 1.000 1 A 94.584 1 ATOM 330 C CB . MET 38 562 ? A -2.777 -0.271 3.818 1.000 1 A 94.584 1 ATOM 331 C CG . MET 38 562 ? A -1.351 -0.008 4.273 1.000 1 A 94.584 1 ATOM 332 S SD . MET 38 562 ? A -1.276 0.776 5.930 1.000 1 A 94.584 1 ATOM 333 C CE . MET 38 562 ? A -0.771 -0.648 6.935 1.000 1 A 94.584 1 ATOM 334 N N . GLU 39 563 ? A -5.300 -2.076 3.373 1.000 1 A 94.144 1 ATOM 335 C CA . GLU 39 563 ? A -6.659 -2.222 2.861 1.000 1 A 94.144 1 ATOM 336 C C . GLU 39 563 ? A -7.593 -2.785 3.929 1.000 1 A 94.144 1 ATOM 337 O O . GLU 39 563 ? A -8.742 -2.354 4.045 1.000 1 A 94.144 1 ATOM 338 C CB . GLU 39 563 ? A -6.674 -3.122 1.623 1.000 1 A 94.144 1 ATOM 339 C CG . GLU 39 563 ? A -8.021 -3.176 0.918 1.000 1 A 94.144 1 ATOM 340 C CD . GLU 39 563 ? A -7.951 -3.808 -0.463 1.000 1 A 94.144 1 ATOM 341 O OE1 . GLU 39 563 ? A -8.846 -3.545 -1.298 1.000 1 A 94.144 1 ATOM 342 O OE2 . GLU 39 563 ? A -6.993 -4.574 -0.712 1.000 1 A 94.144 1 ATOM 343 N N . THR 40 564 ? A -7.105 -3.737 4.682 1.000 1 A 94.639 1 ATOM 344 C CA . THR 40 564 ? A -7.905 -4.316 5.755 1.000 1 A 94.639 1 ATOM 345 C C . THR 40 564 ? A -8.283 -3.253 6.782 1.000 1 A 94.639 1 ATOM 346 O O . THR 40 564 ? A -9.437 -3.175 7.207 1.000 1 A 94.639 1 ATOM 347 C CB . THR 40 564 ? A -7.155 -5.465 6.454 1.000 1 A 94.639 1 ATOM 348 O OG1 . THR 40 564 ? A -6.917 -6.516 5.509 1.000 1 A 94.639 1 ATOM 349 C CG2 . THR 40 564 ? A -7.964 -6.021 7.621 1.000 1 A 94.639 1 ATOM 350 N N . VAL 41 565 ? A -7.390 -2.464 7.141 1.000 1 A 94.533 1 ATOM 351 C CA . VAL 41 565 ? A -7.631 -1.402 8.114 1.000 1 A 94.533 1 ATOM 352 C C . VAL 41 565 ? A -8.607 -0.382 7.533 1.000 1 A 94.533 1 ATOM 353 O O . VAL 41 565 ? A -9.577 0.002 8.191 1.000 1 A 94.533 1 ATOM 354 C CB . VAL 41 565 ? A -6.316 -0.706 8.531 1.000 1 A 94.533 1 ATOM 355 C CG1 . VAL 41 565 ? A -6.606 0.526 9.387 1.000 1 A 94.533 1 ATOM 356 C CG2 . VAL 41 565 ? A -5.411 -1.681 9.281 1.000 1 A 94.533 1 ATOM 357 N N . ALA 42 566 ? A -8.332 0.096 6.344 1.000 1 A 94.949 1 ATOM 358 C CA . ALA 42 566 ? A -9.187 1.085 5.693 1.000 1 A 94.949 1 ATOM 359 C C . ALA 42 566 ? A -10.620 0.575 5.571 1.000 1 A 94.949 1 ATOM 360 O O . ALA 42 566 ? A -11.573 1.328 5.784 1.000 1 A 94.949 1 ATOM 361 C CB . ALA 42 566 ? A -8.634 1.442 4.315 1.000 1 A 94.949 1 ATOM 362 N N . ARG 43 567 ? A -10.779 -0.713 5.255 1.000 1 A 95.571 1 ATOM 363 C CA . ARG 43 567 ? A -12.098 -1.308 5.066 1.000 1 A 95.571 1 ATOM 364 C C . ARG 43 567 ? A -12.927 -1.219 6.343 1.000 1 A 95.571 1 ATOM 365 O O . ARG 43 567 ? A -14.127 -0.943 6.293 1.000 1 A 95.571 1 ATOM 366 C CB . ARG 43 567 ? A -11.972 -2.767 4.624 1.000 1 A 95.571 1 ATOM 367 C CG . ARG 43 567 ? A -13.261 -3.359 4.078 1.000 1 A 95.571 1 ATOM 368 C CD . ARG 43 567 ? A -13.073 -4.801 3.627 1.000 1 A 95.571 1 ATOM 369 N NE . ARG 43 567 ? A -12.084 -4.907 2.558 1.000 1 A 95.571 1 ATOM 370 C CZ . ARG 43 567 ? A -11.091 -5.792 2.530 1.000 1 A 95.571 1 ATOM 371 N NH1 . ARG 43 567 ? A -10.935 -6.667 3.517 1.000 1 A 95.571 1 ATOM 372 N NH2 . ARG 43 567 ? A -10.247 -5.801 1.509 1.000 1 A 95.571 1 ATOM 373 N N . ARG 44 568 ? A -12.290 -1.466 7.411 1.000 1 A 96.213 1 ATOM 374 C CA . ARG 44 568 ? A -12.989 -1.394 8.690 1.000 1 A 96.213 1 ATOM 375 C C . ARG 44 568 ? A -13.518 0.013 8.947 1.000 1 A 96.213 1 ATOM 376 O O . ARG 44 568 ? A -14.671 0.185 9.349 1.000 1 A 96.213 1 ATOM 377 C CB . ARG 44 568 ? A -12.066 -1.823 9.833 1.000 1 A 96.213 1 ATOM 378 C CG . ARG 44 568 ? A -11.769 -3.314 9.859 1.000 1 A 96.213 1 ATOM 379 C CD . ARG 44 568 ? A -11.002 -3.715 11.111 1.000 1 A 96.213 1 ATOM 380 N NE . ARG 44 568 ? A -9.646 -4.154 10.795 1.000 1 A 96.213 1 ATOM 381 C CZ . ARG 44 568 ? A -9.206 -5.403 10.916 1.000 1 A 96.213 1 ATOM 382 N NH1 . ARG 44 568 ? A -10.011 -6.366 11.351 1.000 1 A 96.213 1 ATOM 383 N NH2 . ARG 44 568 ? A -7.952 -5.692 10.601 1.000 1 A 96.213 1 ATOM 384 N N . PHE 45 569 ? A -12.752 1.010 8.656 1.000 1 A 96.979 1 ATOM 385 C CA . PHE 45 569 ? A -13.146 2.390 8.912 1.000 1 A 96.979 1 ATOM 386 C C . PHE 45 569 ? A -14.154 2.867 7.873 1.000 1 A 96.979 1 ATOM 387 O O . PHE 45 569 ? A -15.026 3.684 8.175 1.000 1 A 96.979 1 ATOM 388 C CB . PHE 45 569 ? A -11.921 3.309 8.916 1.000 1 A 96.979 1 ATOM 389 C CG . PHE 45 569 ? A -11.137 3.270 10.200 1.000 1 A 96.979 1 ATOM 390 C CD1 . PHE 45 569 ? A -11.515 4.052 11.285 1.000 1 A 96.979 1 ATOM 391 C CD2 . PHE 45 569 ? A -10.022 2.452 10.322 1.000 1 A 96.979 1 ATOM 392 C CE1 . PHE 45 569 ? A -10.791 4.018 12.475 1.000 1 A 96.979 1 ATOM 393 C CE2 . PHE 45 569 ? A -9.294 2.413 11.508 1.000 1 A 96.979 1 ATOM 394 C CZ . PHE 45 569 ? A -9.680 3.197 12.583 1.000 1 A 96.979 1 ATOM 395 N N . ILE 46 570 ? A -14.056 2.349 6.666 1.000 1 A 96.371 1 ATOM 396 C CA . ILE 46 570 ? A -15.042 2.665 5.638 1.000 1 A 96.371 1 ATOM 397 C C . ILE 46 570 ? A -16.415 2.151 6.065 1.000 1 A 96.371 1 ATOM 398 O O . ILE 46 570 ? A -17.423 2.844 5.903 1.000 1 A 96.371 1 ATOM 399 C CB . ILE 46 570 ? A -14.646 2.064 4.271 1.000 1 A 96.371 1 ATOM 400 C CG1 . ILE 46 570 ? A -13.439 2.809 3.690 1.000 1 A 96.371 1 ATOM 401 C CG2 . ILE 46 570 ? A -15.831 2.100 3.301 1.000 1 A 96.371 1 ATOM 402 C CD1 . ILE 46 570 ? A -12.797 2.113 2.498 1.000 1 A 96.371 1 ATOM 403 N N . LYS 47 571 ? A -16.478 0.980 6.652 1.000 1 A 97.076 1 ATOM 404 C CA . LYS 47 571 ? A -17.728 0.412 7.146 1.000 1 A 97.076 1 ATOM 405 C C . LYS 47 571 ? A -18.308 1.257 8.276 1.000 1 A 97.076 1 ATOM 406 O O . LYS 47 571 ? A -19.511 1.525 8.304 1.000 1 A 97.076 1 ATOM 407 C CB . LYS 47 571 ? A -17.513 -1.025 7.624 1.000 1 A 97.076 1 ATOM 408 C CG . LYS 47 571 ? A -17.295 -2.026 6.498 1.000 1 A 97.076 1 ATOM 409 C CD . LYS 47 571 ? A -17.144 -3.444 7.033 1.000 1 A 97.076 1 ATOM 410 C CE . LYS 47 571 ? A -16.859 -4.437 5.914 1.000 1 A 97.076 1 ATOM 411 N NZ . LYS 47 571 ? A -16.622 -5.814 6.442 1.000 1 A 97.076 1 ATOM 412 N N . LEU 48 572 ? A -17.438 1.635 9.166 1.000 1 A 97.261 1 ATOM 413 C CA . LEU 48 572 ? A -17.879 2.471 10.278 1.000 1 A 97.261 1 ATOM 414 C C . LEU 48 572 ? A -18.373 3.824 9.778 1.000 1 A 97.261 1 ATOM 415 O O . LEU 48 572 ? A -19.369 4.350 10.280 1.000 1 A 97.261 1 ATOM 416 C CB . LEU 48 572 ? A -16.742 2.668 11.284 1.000 1 A 97.261 1 ATOM 417 C CG . LEU 48 572 ? A -16.344 1.442 12.107 1.000 1 A 97.261 1 ATOM 418 C CD1 . LEU 48 572 ? A -15.060 1.718 12.882 1.000 1 A 97.261 1 ATOM 419 C CD2 . LEU 48 572 ? A -17.471 1.045 13.054 1.000 1 A 97.261 1 ATOM 420 N N . ASP 49 573 ? A -17.633 4.344 8.775 1.000 1 A 96.023 1 ATOM 421 C CA . ASP 49 573 ? A -18.025 5.619 8.182 1.000 1 A 96.023 1 ATOM 422 C C . ASP 49 573 ? A -19.390 5.514 7.507 1.000 1 A 96.023 1 ATOM 423 O O . ASP 49 573 ? A -20.229 6.407 7.647 1.000 1 A 96.023 1 ATOM 424 C CB . ASP 49 573 ? A -16.974 6.088 7.174 1.000 1 A 96.023 1 ATOM 425 C CG . ASP 49 573 ? A -17.156 7.538 6.758 1.000 1 A 96.023 1 ATOM 426 O OD1 . ASP 49 573 ? A -17.554 8.369 7.603 1.000 1 A 96.023 1 ATOM 427 O OD2 . ASP 49 573 ? A -16.903 7.851 5.575 1.000 1 A 96.023 1 ATOM 428 N N . ALA 50 574 ? A -19.597 4.448 6.804 1.000 1 A 96.575 1 ATOM 429 C CA . ALA 50 574 ? A -20.869 4.213 6.126 1.000 1 A 96.575 1 ATOM 430 C C . ALA 50 574 ? A -22.012 4.095 7.129 1.000 1 A 96.575 1 ATOM 431 O O . ALA 50 574 ? A -23.098 4.636 6.909 1.000 1 A 96.575 1 ATOM 432 C CB . ALA 50 574 ? A -20.788 2.955 5.265 1.000 1 A 96.575 1 ATOM 433 N N . GLN 51 575 ? A -21.788 3.318 8.219 1.000 1 A 96.588 1 ATOM 434 C CA . GLN 51 575 ? A -22.777 3.163 9.281 1.000 1 A 96.588 1 ATOM 435 C C . GLN 51 575 ? A -23.116 4.508 9.917 1.000 1 A 96.588 1 ATOM 436 O O . GLN 51 575 ? A -24.286 4.805 10.167 1.000 1 A 96.588 1 ATOM 437 C CB . GLN 51 575 ? A -22.272 2.190 10.348 1.000 1 A 96.588 1 ATOM 438 C CG . GLN 51 575 ? A -23.306 1.858 11.416 1.000 1 A 96.588 1 ATOM 439 C CD . GLN 51 575 ? A -22.777 0.901 12.467 1.000 1 A 96.588 1 ATOM 440 O OE1 . GLN 51 575 ? A -21.811 0.168 12.229 1.000 1 A 96.588 1 ATOM 441 N NE2 . GLN 51 575 ? A -23.406 0.899 13.638 1.000 1 A 96.588 1 ATOM 442 N N . ARG 52 576 ? A -22.162 5.264 10.169 1.000 1 A 94.668 1 ATOM 443 C CA . ARG 52 576 ? A -22.319 6.578 10.785 1.000 1 A 94.668 1 ATOM 444 C C . ARG 52 576 ? A -23.180 7.490 9.918 1.000 1 A 94.668 1 ATOM 445 O O . ARG 52 576 ? A -24.027 8.224 10.431 1.000 1 A 94.668 1 ATOM 446 C CB . ARG 52 576 ? A -20.953 7.223 11.028 1.000 1 A 94.668 1 ATOM 447 C CG . ARG 52 576 ? A -21.024 8.567 11.737 1.000 1 A 94.668 1 ATOM 448 C CD . ARG 52 576 ? A -19.676 9.274 11.741 1.000 1 A 94.668 1 ATOM 449 N NE . ARG 52 576 ? A -19.357 9.834 10.431 1.000 1 A 94.668 1 ATOM 450 C CZ . ARG 52 576 ? A -18.181 10.359 10.097 1.000 1 A 94.668 1 ATOM 451 N NH1 . ARG 52 576 ? A -17.186 10.408 10.976 1.000 1 A 94.668 1 ATOM 452 N NH2 . ARG 52 576 ? A -17.999 10.841 8.877 1.000 1 A 94.668 1 ATOM 453 N N . LYS 53 577 ? A -22.965 7.449 8.600 1.000 1 A 94.337 1 ATOM 454 C CA . LYS 53 577 ? A -23.660 8.314 7.651 1.000 1 A 94.337 1 ATOM 455 C C . LYS 53 577 ? A -25.135 7.937 7.542 1.000 1 A 94.337 1 ATOM 456 O O . LYS 53 577 ? A -25.965 8.764 7.160 1.000 1 A 94.337 1 ATOM 457 C CB . LYS 53 577 ? A -22.998 8.241 6.274 1.000 1 A 94.337 1 ATOM 458 C CG . LYS 53 577 ? A -21.645 8.935 6.200 1.000 1 A 94.337 1 ATOM 459 C CD . LYS 53 577 ? A -21.012 8.779 4.824 1.000 1 A 94.337 1 ATOM 460 C CE . LYS 53 577 ? A -19.690 9.529 4.727 1.000 1 A 94.337 1 ATOM 461 N NZ . LYS 53 577 ? A -18.978 9.235 3.448 1.000 1 A 94.337 1 ATOM 462 N N . ARG 54 578 ? A -25.511 6.725 7.945 1.000 1 A 95.923 1 ATOM 463 C CA . ARG 54 578 ? A -26.890 6.253 7.866 1.000 1 A 95.923 1 ATOM 464 C C . ARG 54 578 ? A -27.664 6.610 9.131 1.000 1 A 95.923 1 ATOM 465 O O . ARG 54 578 ? A -28.896 6.576 9.141 1.000 1 A 95.923 1 ATOM 466 C CB . ARG 54 578 ? A -26.928 4.741 7.638 1.000 1 A 95.923 1 ATOM 467 C CG . ARG 54 578 ? A -26.400 4.310 6.279 1.000 1 A 95.923 1 ATOM 468 C CD . ARG 54 578 ? A -26.408 2.795 6.125 1.000 1 A 95.923 1 ATOM 469 N NE . ARG 54 578 ? A -25.831 2.380 4.850 1.000 1 A 95.923 1 ATOM 470 C CZ . ARG 54 578 ? A -25.518 1.127 4.532 1.000 1 A 95.923 1 ATOM 471 N NH1 . ARG 54 578 ? A -25.722 0.137 5.394 1.000 1 A 95.923 1 ATOM 472 N NH2 . ARG 54 578 ? A -24.998 0.860 3.343 1.000 1 A 95.923 1 ATOM 473 N N . LEU 55 579 ? A -27.013 6.954 10.186 1.000 1 A 95.933 1 ATOM 474 C CA . LEU 55 579 ? A -27.627 7.218 11.482 1.000 1 A 95.933 1 ATOM 475 C C . LEU 55 579 ? A -27.820 8.715 11.698 1.000 1 A 95.933 1 ATOM 476 O O . LEU 55 579 ? A -27.138 9.529 11.072 1.000 1 A 95.933 1 ATOM 477 C CB . LEU 55 579 ? A -26.772 6.634 12.610 1.000 1 A 95.933 1 ATOM 478 C CG . LEU 55 579 ? A -26.498 5.130 12.544 1.000 1 A 95.933 1 ATOM 479 C CD1 . LEU 55 579 ? A -25.500 4.726 13.624 1.000 1 A 95.933 1 ATOM 480 C CD2 . LEU 55 579 ? A -27.796 4.343 12.685 1.000 1 A 95.933 1 ATOM 481 N N . SER 56 580 ? A -28.829 9.092 12.474 1.000 1 A 94.748 1 ATOM 482 C CA . SER 56 580 ? A -29.108 10.483 12.817 1.000 1 A 94.748 1 ATOM 483 C C . SER 56 580 ? A -28.143 10.994 13.881 1.000 1 A 94.748 1 ATOM 484 O O . SER 56 580 ? A -27.943 10.344 14.910 1.000 1 A 94.748 1 ATOM 485 C CB . SER 56 580 ? A -30.549 10.636 13.308 1.000 1 A 94.748 1 ATOM 486 O OG . SER 56 580 ? A -30.826 11.985 13.643 1.000 1 A 94.748 1 ATOM 487 N N . PRO 57 581 ? A -27.508 12.148 13.515 1.000 1 A 92.002 1 ATOM 488 C CA . PRO 57 581 ? A -26.637 12.749 14.528 1.000 1 A 92.002 1 ATOM 489 C C . PRO 57 581 ? A -27.350 12.981 15.858 1.000 1 A 92.002 1 ATOM 490 O O . PRO 57 581 ? A -28.503 13.421 15.876 1.000 1 A 92.002 1 ATOM 491 C CB . PRO 57 581 ? A -26.222 14.078 13.892 1.000 1 A 92.002 1 ATOM 492 C CG . PRO 57 581 ? A -26.414 13.876 12.424 1.000 1 A 92.002 1 ATOM 493 C CD . PRO 57 581 ? A -27.559 12.926 12.219 1.000 1 A 92.002 1 ATOM 494 N N . GLY 58 582 ? A -26.886 12.423 17.015 1.000 1 A 90.520 1 ATOM 495 C CA . GLY 58 582 ? A -27.439 12.585 18.350 1.000 1 A 90.520 1 ATOM 496 C C . GLY 58 582 ? A -28.093 11.324 18.882 1.000 1 A 90.520 1 ATOM 497 O O . GLY 58 582 ? A -28.400 11.233 20.072 1.000 1 A 90.520 1 ATOM 498 N N . SER 59 583 ? A -28.367 10.453 17.933 1.000 1 A 96.597 1 ATOM 499 C CA . SER 59 583 ? A -28.938 9.179 18.359 1.000 1 A 96.597 1 ATOM 500 C C . SER 59 583 ? A -27.920 8.347 19.131 1.000 1 A 96.597 1 ATOM 501 O O . SER 59 583 ? A -26.712 8.564 19.008 1.000 1 A 96.597 1 ATOM 502 C CB . SER 59 583 ? A -29.445 8.388 17.152 1.000 1 A 96.597 1 ATOM 503 O OG . SER 59 583 ? A -28.361 7.915 16.370 1.000 1 A 96.597 1 ATOM 504 N N . LYS 60 584 ? A -28.431 7.538 20.067 1.000 1 A 96.735 1 ATOM 505 C CA . LYS 60 584 ? A -27.575 6.642 20.839 1.000 1 A 96.735 1 ATOM 506 C C . LYS 60 584 ? A -26.738 5.755 19.921 1.000 1 A 96.735 1 ATOM 507 O O . LYS 60 584 ? A -25.556 5.521 20.184 1.000 1 A 96.735 1 ATOM 508 C CB . LYS 60 584 ? A -28.414 5.777 21.780 1.000 1 A 96.735 1 ATOM 509 C CG . LYS 60 584 ? A -27.592 4.861 22.676 1.000 1 A 96.735 1 ATOM 510 C CD . LYS 60 584 ? A -26.702 5.656 23.622 1.000 1 A 96.735 1 ATOM 511 C CE . LYS 60 584 ? A -25.907 4.741 24.544 1.000 1 A 96.735 1 ATOM 512 N NZ . LYS 60 584 ? A -24.978 5.512 25.424 1.000 1 A 96.735 1 ATOM 513 N N . GLU 61 585 ? A -27.340 5.311 18.838 1.000 1 A 96.772 1 ATOM 514 C CA . GLU 61 585 ? A -26.642 4.470 17.871 1.000 1 A 96.772 1 ATOM 515 C C . GLU 61 585 ? A -25.497 5.228 17.205 1.000 1 A 96.772 1 ATOM 516 O O . GLU 61 585 ? A -24.428 4.663 16.966 1.000 1 A 96.772 1 ATOM 517 C CB . GLU 61 585 ? A -27.614 3.947 16.811 1.000 1 A 96.772 1 ATOM 518 C CG . GLU 61 585 ? A -28.673 3.002 17.359 1.000 1 A 96.772 1 ATOM 519 C CD . GLU 61 585 ? A -29.649 2.515 16.300 1.000 1 A 96.772 1 ATOM 520 O OE1 . GLU 61 585 ? A -30.468 1.615 16.598 1.000 1 A 96.772 1 ATOM 521 O OE2 . GLU 61 585 ? A -29.593 3.035 15.164 1.000 1 A 96.772 1 ATOM 522 N N . TYR 62 586 ? A -25.742 6.460 16.843 1.000 1 A 96.206 1 ATOM 523 C CA . TYR 62 586 ? A -24.710 7.322 16.277 1.000 1 A 96.206 1 ATOM 524 C C . TYR 62 586 ? A -23.536 7.469 17.238 1.000 1 A 96.206 1 ATOM 525 O O . TYR 62 586 ? A -22.377 7.359 16.832 1.000 1 A 96.206 1 ATOM 526 C CB . TYR 62 586 ? A -25.286 8.700 15.941 1.000 1 A 96.206 1 ATOM 527 C CG . TYR 62 586 ? A -24.297 9.624 15.270 1.000 1 A 96.206 1 ATOM 528 C CD1 . TYR 62 586 ? A -23.484 10.468 16.022 1.000 1 A 96.206 1 ATOM 529 C CD2 . TYR 62 586 ? A -24.176 9.654 13.885 1.000 1 A 96.206 1 ATOM 530 C CE1 . TYR 62 586 ? A -22.573 11.322 15.408 1.000 1 A 96.206 1 ATOM 531 C CE2 . TYR 62 586 ? A -23.268 10.504 13.261 1.000 1 A 96.206 1 ATOM 532 C CZ . TYR 62 586 ? A -22.472 11.332 14.030 1.000 1 A 96.206 1 ATOM 533 O OH . TYR 62 586 ? A -21.572 12.175 13.418 1.000 1 A 96.206 1 ATOM 534 N N . GLN 63 587 ? A -23.788 7.663 18.526 1.000 1 A 95.631 1 ATOM 535 C CA . GLN 63 587 ? A -22.759 7.792 19.552 1.000 1 A 95.631 1 ATOM 536 C C . GLN 63 587 ? A -21.980 6.490 19.717 1.000 1 A 95.631 1 ATOM 537 O O . GLN 63 587 ? A -20.764 6.509 19.919 1.000 1 A 95.631 1 ATOM 538 C CB . GLN 63 587 ? A -23.380 8.205 20.887 1.000 1 A 95.631 1 ATOM 539 C CG . GLN 63 587 ? A -23.878 9.644 20.914 1.000 1 A 95.631 1 ATOM 540 C CD . GLN 63 587 ? A -24.560 10.004 22.221 1.000 1 A 95.631 1 ATOM 541 O OE1 . GLN 63 587 ? A -24.802 9.140 23.069 1.000 1 A 95.631 1 ATOM 542 N NE2 . GLN 63 587 ? A -24.877 11.283 22.391 1.000 1 A 95.631 1 ATOM 543 N N . ASN 64 588 ? A -22.719 5.400 19.608 1.000 1 A 96.896 1 ATOM 544 C CA . ASN 64 588 ? A -22.061 4.100 19.689 1.000 1 A 96.896 1 ATOM 545 C C . ASN 64 588 ? A -21.045 3.916 18.566 1.000 1 A 96.896 1 ATOM 546 O O . ASN 64 588 ? A -19.948 3.402 18.793 1.000 1 A 96.896 1 ATOM 547 C CB . ASN 64 588 ? A -23.094 2.972 19.661 1.000 1 A 96.896 1 ATOM 548 C CG . ASN 64 588 ? A -23.926 2.911 20.927 1.000 1 A 96.896 1 ATOM 549 O OD1 . ASN 64 588 ? A -23.599 3.548 21.932 1.000 1 A 96.896 1 ATOM 550 N ND2 . ASN 64 588 ? A -25.011 2.146 20.887 1.000 1 A 96.896 1 ATOM 551 N N . VAL 65 589 ? A -21.426 4.268 17.318 1.000 1 A 96.783 1 ATOM 552 C CA . VAL 65 589 ? A -20.509 4.168 16.187 1.000 1 A 96.783 1 ATOM 553 C C . VAL 65 589 ? A -19.303 5.076 16.418 1.000 1 A 96.783 1 ATOM 554 O O . VAL 65 589 ? A -18.168 4.699 16.119 1.000 1 A 96.783 1 ATOM 555 C CB . VAL 65 589 ? A -21.206 4.535 14.858 1.000 1 A 96.783 1 ATOM 556 C CG1 . VAL 65 589 ? A -20.186 4.636 13.724 1.000 1 A 96.783 1 ATOM 557 C CG2 . VAL 65 589 ? A -22.285 3.507 14.520 1.000 1 A 96.783 1 ATOM 558 N N . HIS 66 590 ? A -19.476 6.245 16.999 1.000 1 A 95.740 1 ATOM 559 C CA . HIS 66 590 ? A -18.377 7.146 17.328 1.000 1 A 95.740 1 ATOM 560 C C . HIS 66 590 ? A -17.388 6.484 18.282 1.000 1 A 95.740 1 ATOM 561 O O . HIS 66 590 ? A -16.175 6.555 18.073 1.000 1 A 95.740 1 ATOM 562 C CB . HIS 66 590 ? A -18.912 8.441 17.943 1.000 1 A 95.740 1 ATOM 563 C CG . HIS 66 590 ? A -18.059 9.637 17.660 1.000 1 A 95.740 1 ATOM 564 N ND1 . HIS 66 590 ? A -18.077 10.293 16.448 1.000 1 A 95.740 1 ATOM 565 C CD2 . HIS 66 590 ? A -17.166 10.296 18.435 1.000 1 A 95.740 1 ATOM 566 C CE1 . HIS 66 590 ? A -17.228 11.306 16.490 1.000 1 A 95.740 1 ATOM 567 N NE2 . HIS 66 590 ? A -16.662 11.330 17.685 1.000 1 A 95.740 1 ATOM 568 N N . GLU 67 591 ? A -17.947 5.879 19.227 1.000 1 A 96.111 1 ATOM 569 C CA . GLU 67 591 ? A -17.107 5.184 20.198 1.000 1 A 96.111 1 ATOM 570 C C . GLU 67 591 ? A -16.362 4.020 19.550 1.000 1 A 96.111 1 ATOM 571 O O . GLU 67 591 ? A -15.188 3.787 19.843 1.000 1 A 96.111 1 ATOM 572 C CB . GLU 67 591 ? A -17.948 4.680 21.374 1.000 1 A 96.111 1 ATOM 573 C CG . GLU 67 591 ? A -17.124 4.127 22.527 1.000 1 A 96.111 1 ATOM 574 C CD . GLU 67 591 ? A -17.907 4.016 23.825 1.000 1 A 96.111 1 ATOM 575 O OE1 . GLU 67 591 ? A -17.320 4.238 24.909 1.000 1 A 96.111 1 ATOM 576 O OE2 . GLU 67 591 ? A -19.116 3.703 23.759 1.000 1 A 96.111 1 ATOM 577 N N . GLU 68 592 ? A -17.050 3.352 18.660 1.000 1 A 97.345 1 ATOM 578 C CA . GLU 68 592 ? A -16.421 2.241 17.952 1.000 1 A 97.345 1 ATOM 579 C C . GLU 68 592 ? A -15.255 2.723 17.095 1.000 1 A 97.345 1 ATOM 580 O O . GLU 68 592 ? A -14.221 2.057 17.012 1.000 1 A 97.345 1 ATOM 581 C CB . GLU 68 592 ? A -17.446 1.509 17.082 1.000 1 A 97.345 1 ATOM 582 C CG . GLU 68 592 ? A -18.430 0.659 17.873 1.000 1 A 97.345 1 ATOM 583 C CD . GLU 68 592 ? A -19.395 -0.118 16.993 1.000 1 A 97.345 1 ATOM 584 O OE1 . GLU 68 592 ? A -20.446 -0.573 17.498 1.000 1 A 97.345 1 ATOM 585 O OE2 . GLU 68 592 ? A -19.097 -0.275 15.787 1.000 1 A 97.345 1 ATOM 586 N N . VAL 69 593 ? A -15.435 3.856 16.454 1.000 1 A 97.097 1 ATOM 587 C CA . VAL 69 593 ? A -14.362 4.439 15.655 1.000 1 A 97.097 1 ATOM 588 C C . VAL 69 593 ? A -13.143 4.699 16.537 1.000 1 A 97.097 1 ATOM 589 O O . VAL 69 593 ? A -12.020 4.343 16.175 1.000 1 A 97.097 1 ATOM 590 C CB . VAL 69 593 ? A -14.812 5.749 14.969 1.000 1 A 97.097 1 ATOM 591 C CG1 . VAL 69 593 ? A -13.619 6.467 14.341 1.000 1 A 97.097 1 ATOM 592 C CG2 . VAL 69 593 ? A -15.881 5.459 13.916 1.000 1 A 97.097 1 ATOM 593 N N . LEU 70 594 ? A -13.337 5.261 17.664 1.000 1 A 96.587 1 ATOM 594 C CA . LEU 70 594 ? A -12.252 5.583 18.584 1.000 1 A 96.587 1 ATOM 595 C C . LEU 70 594 ? A -11.573 4.314 19.090 1.000 1 A 96.587 1 ATOM 596 O O . LEU 70 594 ? A -10.346 4.262 19.195 1.000 1 A 96.587 1 ATOM 597 C CB . LEU 70 594 ? A -12.777 6.401 19.766 1.000 1 A 96.587 1 ATOM 598 C CG . LEU 70 594 ? A -13.235 7.827 19.454 1.000 1 A 96.587 1 ATOM 599 C CD1 . LEU 70 594 ? A -13.846 8.470 20.694 1.000 1 A 96.587 1 ATOM 600 C CD2 . LEU 70 594 ? A -12.071 8.661 18.931 1.000 1 A 96.587 1 ATOM 601 N N . GLN 71 595 ? A -12.393 3.331 19.375 1.000 1 A 96.942 1 ATOM 602 C CA . GLN 71 595 ? A -11.862 2.061 19.859 1.000 1 A 96.942 1 ATOM 603 C C . GLN 71 595 ? A -11.007 1.381 18.794 1.000 1 A 96.942 1 ATOM 604 O O . GLN 71 595 ? A -9.926 0.869 19.093 1.000 1 A 96.942 1 ATOM 605 C CB . GLN 71 595 ? A -12.999 1.133 20.291 1.000 1 A 96.942 1 ATOM 606 C CG . GLN 71 595 ? A -13.671 1.548 21.592 1.000 1 A 96.942 1 ATOM 607 C CD . GLN 71 595 ? A -14.835 0.649 21.965 1.000 1 A 96.942 1 ATOM 608 O OE1 . GLN 71 595 ? A -15.199 -0.261 21.214 1.000 1 A 96.942 1 ATOM 609 N NE2 . GLN 71 595 ? A -15.429 0.899 23.127 1.000 1 A 96.942 1 ATOM 610 N N . GLU 72 596 ? A -11.543 1.380 17.612 1.000 1 A 96.428 1 ATOM 611 C CA . GLU 72 596 ? A -10.800 0.755 16.522 1.000 1 A 96.428 1 ATOM 612 C C . GLU 72 596 ? A -9.480 1.477 16.268 1.000 1 A 96.428 1 ATOM 613 O O . GLU 72 596 ? A -8.452 0.838 16.034 1.000 1 A 96.428 1 ATOM 614 C CB . GLU 72 596 ? A -11.640 0.731 15.242 1.000 1 A 96.428 1 ATOM 615 C CG . GLU 72 596 ? A -12.741 -0.319 15.250 1.000 1 A 96.428 1 ATOM 616 C CD . GLU 72 596 ? A -12.218 -1.736 15.418 1.000 1 A 96.428 1 ATOM 617 O OE1 . GLU 72 596 ? A -12.954 -2.596 15.952 1.000 1 A 96.428 1 ATOM 618 O OE2 . GLU 72 596 ? A -11.061 -1.989 15.014 1.000 1 A 96.428 1 ATOM 619 N N . TYR 73 597 ? A -9.557 2.731 16.255 1.000 1 A 95.571 1 ATOM 620 C CA . TYR 73 597 ? A -8.355 3.538 16.079 1.000 1 A 95.571 1 ATOM 621 C C . TYR 73 597 ? A -7.342 3.257 17.182 1.000 1 A 95.571 1 ATOM 622 O O . TYR 73 597 ? A -6.149 3.098 16.912 1.000 1 A 95.571 1 ATOM 623 C CB . TYR 73 597 ? A -8.707 5.029 16.061 1.000 1 A 95.571 1 ATOM 624 C CG . TYR 73 597 ? A -7.528 5.928 15.777 1.000 1 A 95.571 1 ATOM 625 C CD1 . TYR 73 597 ? A -6.977 6.725 16.779 1.000 1 A 95.571 1 ATOM 626 C CD2 . TYR 73 597 ? A -6.962 5.982 14.508 1.000 1 A 95.571 1 ATOM 627 C CE1 . TYR 73 597 ? A -5.892 7.556 16.521 1.000 1 A 95.571 1 ATOM 628 C CE2 . TYR 73 597 ? A -5.877 6.809 14.239 1.000 1 A 95.571 1 ATOM 629 C CZ . TYR 73 597 ? A -5.349 7.591 15.251 1.000 1 A 95.571 1 ATOM 630 O OH . TYR 73 597 ? A -4.275 8.412 14.990 1.000 1 A 95.571 1 ATOM 631 N N . GLN 74 598 ? A -7.728 3.206 18.343 1.000 1 A 95.289 1 ATOM 632 C CA . GLN 74 598 ? A -6.855 2.893 19.469 1.000 1 A 95.289 1 ATOM 633 C C . GLN 74 598 ? A -6.242 1.503 19.320 1.000 1 A 95.289 1 ATOM 634 O O . GLN 74 598 ? A -5.061 1.306 19.613 1.000 1 A 95.289 1 ATOM 635 C CB . GLN 74 598 ? A -7.623 2.990 20.788 1.000 1 A 95.289 1 ATOM 636 C CG . GLN 74 598 ? A -6.741 2.872 22.023 1.000 1 A 95.289 1 ATOM 637 C CD . GLN 74 598 ? A -7.519 3.029 23.317 1.000 1 A 95.289 1 ATOM 638 O OE1 . GLN 74 598 ? A -8.671 3.474 23.314 1.000 1 A 95.289 1 ATOM 639 N NE2 . GLN 74 598 ? A -6.894 2.666 24.432 1.000 1 A 95.289 1 ATOM 640 N N . LYS 75 599 ? A -7.042 0.593 18.870 1.000 1 A 96.066 1 ATOM 641 C CA . LYS 75 599 ? A -6.555 -0.764 18.642 1.000 1 A 96.066 1 ATOM 642 C C . LYS 75 599 ? A -5.411 -0.776 17.632 1.000 1 A 96.066 1 ATOM 643 O O . LYS 75 599 ? A -4.410 -1.468 17.828 1.000 1 A 96.066 1 ATOM 644 C CB . LYS 75 599 ? A -7.690 -1.668 18.158 1.000 1 A 96.066 1 ATOM 645 C CG . LYS 75 599 ? A -8.688 -2.043 19.243 1.000 1 A 96.066 1 ATOM 646 C CD . LYS 75 599 ? A -9.789 -2.946 18.702 1.000 1 A 96.066 1 ATOM 647 C CE . LYS 75 599 ? A -10.864 -3.207 19.749 1.000 1 A 96.066 1 ATOM 648 N NZ . LYS 75 599 ? A -11.968 -4.056 19.209 1.000 1 A 96.066 1 ATOM 649 N N . ILE 76 600 ? A -5.539 -0.013 16.616 1.000 1 A 94.733 1 ATOM 650 C CA . ILE 76 600 ? A -4.507 0.071 15.588 1.000 1 A 94.733 1 ATOM 651 C C . ILE 76 600 ? A -3.244 0.699 16.175 1.000 1 A 94.733 1 ATOM 652 O O . ILE 76 600 ? A -2.136 0.210 15.944 1.000 1 A 94.733 1 ATOM 653 C CB . ILE 76 600 ? A -4.991 0.883 14.366 1.000 1 A 94.733 1 ATOM 654 C CG1 . ILE 76 600 ? A -6.088 0.117 13.617 1.000 1 A 94.733 1 ATOM 655 C CG2 . ILE 76 600 ? A -3.819 1.210 13.436 1.000 1 A 94.733 1 ATOM 656 C CD1 . ILE 76 600 ? A -6.762 0.922 12.514 1.000 1 A 94.733 1 ATOM 657 N N . LYS 77 601 ? A -3.419 1.734 16.932 1.000 1 A 92.625 1 ATOM 658 C CA . LYS 77 601 ? A -2.277 2.421 17.529 1.000 1 A 92.625 1 ATOM 659 C C . LYS 77 601 ? A -1.523 1.503 18.487 1.000 1 A 92.625 1 ATOM 660 O O . LYS 77 601 ? A -0.294 1.559 18.571 1.000 1 A 92.625 1 ATOM 661 C CB . LYS 77 601 ? A -2.733 3.684 18.262 1.000 1 A 92.625 1 ATOM 662 C CG . LYS 77 601 ? A -3.184 4.806 17.339 1.000 1 A 92.625 1 ATOM 663 C CD . LYS 77 601 ? A -2.017 5.384 16.550 1.000 1 A 92.625 1 ATOM 664 C CE . LYS 77 601 ? A -1.595 6.745 17.089 1.000 1 A 92.625 1 ATOM 665 N NZ . LYS 77 601 ? A -0.547 7.379 16.235 1.000 1 A 92.625 1 ATOM 666 N N . GLN 78 602 ? A -2.245 0.669 19.104 1.000 1 A 94.388 1 ATOM 667 C CA . GLN 78 602 ? A -1.632 -0.236 20.071 1.000 1 A 94.388 1 ATOM 668 C C . GLN 78 602 ? A -1.009 -1.443 19.376 1.000 1 A 94.388 1 ATOM 669 O O . GLN 78 602 ? A 0.095 -1.865 19.725 1.000 1 A 94.388 1 ATOM 670 C CB . GLN 78 602 ? A -2.663 -0.699 21.101 1.000 1 A 94.388 1 ATOM 671 C CG . GLN 78 602 ? A -3.097 0.393 22.071 1.000 1 A 94.388 1 ATOM 672 C CD . GLN 78 602 ? A -4.171 -0.072 23.036 1.000 1 A 94.388 1 ATOM 673 O OE1 . GLN 78 602 ? A -4.693 -1.185 22.916 1.000 1 A 94.388 1 ATOM 674 N NE2 . GLN 78 602 ? A -4.509 0.777 24.000 1.000 1 A 94.388 1 ATOM 675 N N . SER 79 603 ? A -1.706 -1.959 18.485 1.000 1 A 94.314 1 ATOM 676 C CA . SER 79 603 ? A -1.243 -3.188 17.849 1.000 1 A 94.314 1 ATOM 677 C C . SER 79 603 ? A -0.220 -2.894 16.757 1.000 1 A 94.314 1 ATOM 678 O O . SER 79 603 ? A 0.632 -3.732 16.455 1.000 1 A 94.314 1 ATOM 679 C CB . SER 79 603 ? A -2.422 -3.963 17.259 1.000 1 A 94.314 1 ATOM 680 O OG . SER 79 603 ? A -3.069 -3.205 16.252 1.000 1 A 94.314 1 ATOM 681 N N . SER 80 604 ? A -0.280 -1.689 16.147 1.000 1 A 91.373 1 ATOM 682 C CA . SER 80 604 ? A 0.604 -1.324 15.046 1.000 1 A 91.373 1 ATOM 683 C C . SER 80 604 ? A 1.192 0.069 15.247 1.000 1 A 91.373 1 ATOM 684 O O . SER 80 604 ? A 0.732 1.037 14.637 1.000 1 A 91.373 1 ATOM 685 C CB . SER 80 604 ? A -0.146 -1.382 13.714 1.000 1 A 91.373 1 ATOM 686 O OG . SER 80 604 ? A -0.695 -2.671 13.502 1.000 1 A 91.373 1 ATOM 687 N N . PRO 81 605 ? A 2.157 0.143 16.124 1.000 1 A 92.417 1 ATOM 688 C CA . PRO 81 605 ? A 2.736 1.457 16.416 1.000 1 A 92.417 1 ATOM 689 C C . PRO 81 605 ? A 3.432 2.076 15.206 1.000 1 A 92.417 1 ATOM 690 O O . PRO 81 605 ? A 3.632 3.293 15.160 1.000 1 A 92.417 1 ATOM 691 C CB . PRO 81 605 ? A 3.741 1.160 17.531 1.000 1 A 92.417 1 ATOM 692 C CG . PRO 81 605 ? A 4.011 -0.306 17.422 1.000 1 A 92.417 1 ATOM 693 C CD . PRO 81 605 ? A 2.792 -0.974 16.852 1.000 1 A 92.417 1 ATOM 694 N N . ASN 82 606 ? A 3.704 1.283 14.206 1.000 1 A 94.567 1 ATOM 695 C CA . ASN 82 606 ? A 4.386 1.778 13.014 1.000 1 A 94.567 1 ATOM 696 C C . ASN 82 606 ? A 3.415 1.973 11.853 1.000 1 A 94.567 1 ATOM 697 O O . ASN 82 606 ? A 3.815 1.925 10.689 1.000 1 A 94.567 1 ATOM 698 C CB . ASN 82 606 ? A 5.515 0.828 12.608 1.000 1 A 94.567 1 ATOM 699 C CG . ASN 82 606 ? A 6.591 0.713 13.670 1.000 1 A 94.567 1 ATOM 700 O OD1 . ASN 82 606 ? A 6.961 1.703 14.306 1.000 1 A 94.567 1 ATOM 701 N ND2 . ASN 82 606 ? A 7.100 -0.497 13.869 1.000 1 A 94.567 1 ATOM 702 N N . TYR 83 607 ? A 2.195 2.118 12.092 1.000 1 A 93.251 1 ATOM 703 C CA . TYR 83 607 ? A 1.167 2.185 11.059 1.000 1 A 93.251 1 ATOM 704 C C . TYR 83 607 ? A 1.476 3.289 10.054 1.000 1 A 93.251 1 ATOM 705 O O . TYR 83 607 ? A 1.407 3.071 8.842 1.000 1 A 93.251 1 ATOM 706 C CB . TYR 83 607 ? A -0.211 2.420 11.685 1.000 1 A 93.251 1 ATOM 707 C CG . TYR 83 607 ? A -1.306 2.653 10.673 1.000 1 A 93.251 1 ATOM 708 C CD1 . TYR 83 607 ? A -1.793 3.935 10.428 1.000 1 A 93.251 1 ATOM 709 C CD2 . TYR 83 607 ? A -1.856 1.594 9.960 1.000 1 A 93.251 1 ATOM 710 C CE1 . TYR 83 607 ? A -2.803 4.155 9.498 1.000 1 A 93.251 1 ATOM 711 C CE2 . TYR 83 607 ? A -2.866 1.802 9.027 1.000 1 A 93.251 1 ATOM 712 C CZ . TYR 83 607 ? A -3.332 3.084 8.803 1.000 1 A 93.251 1 ATOM 713 O OH . TYR 83 607 ? A -4.333 3.296 7.881 1.000 1 A 93.251 1 ATOM 714 N N . HIS 84 608 ? A 1.847 4.463 10.546 1.000 1 A 92.871 1 ATOM 715 C CA . HIS 84 608 ? A 2.088 5.596 9.659 1.000 1 A 92.871 1 ATOM 716 C C . HIS 84 608 ? A 3.310 5.356 8.779 1.000 1 A 92.871 1 ATOM 717 O O . HIS 84 608 ? A 3.306 5.702 7.596 1.000 1 A 92.871 1 ATOM 718 C CB . HIS 84 608 ? A 2.269 6.881 10.469 1.000 1 A 92.871 1 ATOM 719 C CG . HIS 84 608 ? A 1.015 7.351 11.135 1.000 1 A 92.871 1 ATOM 720 N ND1 . HIS 84 608 ? A -0.092 7.768 10.427 1.000 1 A 92.871 1 ATOM 721 C CD2 . HIS 84 608 ? A 0.693 7.468 12.445 1.000 1 A 92.871 1 ATOM 722 C CE1 . HIS 84 608 ? A -1.042 8.122 11.276 1.000 1 A 92.871 1 ATOM 723 N NE2 . HIS 84 608 ? A -0.591 7.950 12.506 1.000 1 A 92.871 1 ATOM 724 N N . GLU 85 609 ? A 4.307 4.777 9.324 1.000 1 A 95.865 1 ATOM 725 C CA . GLU 85 609 ? A 5.483 4.423 8.534 1.000 1 A 95.865 1 ATOM 726 C C . GLU 85 609 ? A 5.140 3.383 7.470 1.000 1 A 95.865 1 ATOM 727 O O . GLU 85 609 ? A 5.614 3.469 6.336 1.000 1 A 95.865 1 ATOM 728 C CB . GLU 85 609 ? A 6.601 3.900 9.439 1.000 1 A 95.865 1 ATOM 729 C CG . GLU 85 609 ? A 7.188 4.956 10.364 1.000 1 A 95.865 1 ATOM 730 C CD . GLU 85 609 ? A 8.175 4.389 11.372 1.000 1 A 95.865 1 ATOM 731 O OE1 . GLU 85 609 ? A 8.578 5.122 12.304 1.000 1 A 95.865 1 ATOM 732 O OE2 . GLU 85 609 ? A 8.548 3.204 11.229 1.000 1 A 95.865 1 ATOM 733 N N . GLU 86 610 ? A 4.363 2.426 7.834 1.000 1 A 95.179 1 ATOM 734 C CA . GLU 86 610 ? A 3.933 1.398 6.892 1.000 1 A 95.179 1 ATOM 735 C C . GLU 86 610 ? A 3.092 1.996 5.767 1.000 1 A 95.179 1 ATOM 736 O O . GLU 86 610 ? A 3.220 1.595 4.609 1.000 1 A 95.179 1 ATOM 737 C CB . GLU 86 610 ? A 3.143 0.303 7.614 1.000 1 A 95.179 1 ATOM 738 C CG . GLU 86 610 ? A 3.991 -0.561 8.535 1.000 1 A 95.179 1 ATOM 739 C CD . GLU 86 610 ? A 3.188 -1.622 9.271 1.000 1 A 95.179 1 ATOM 740 O OE1 . GLU 86 610 ? A 3.792 -2.453 9.986 1.000 1 A 95.179 1 ATOM 741 O OE2 . GLU 86 610 ? A 1.945 -1.622 9.131 1.000 1 A 95.179 1 ATOM 742 N N . LYS 87 611 ? A 2.230 2.843 6.232 1.000 1 A 94.400 1 ATOM 743 C CA . LYS 87 611 ? A 1.437 3.550 5.230 1.000 1 A 94.400 1 ATOM 744 C C . LYS 87 611 ? A 2.333 4.282 4.236 1.000 1 A 94.400 1 ATOM 745 O O . LYS 87 611 ? A 2.131 4.187 3.023 1.000 1 A 94.400 1 ATOM 746 C CB . LYS 87 611 ? A 0.482 4.539 5.901 1.000 1 A 94.400 1 ATOM 747 C CG . LYS 87 611 ? A -0.498 5.200 4.943 1.000 1 A 94.400 1 ATOM 748 C CD . LYS 87 611 ? A -1.441 6.147 5.674 1.000 1 A 94.400 1 ATOM 749 C CE . LYS 87 611 ? A -2.351 6.889 4.705 1.000 1 A 94.400 1 ATOM 750 N NZ . LYS 87 611 ? A -3.279 7.818 5.417 1.000 1 A 94.400 1 ATOM 751 N N . TYR 88 612 ? A 3.221 5.071 4.718 1.000 1 A 95.212 1 ATOM 752 C CA . TYR 88 612 ? A 4.173 5.778 3.868 1.000 1 A 95.212 1 ATOM 753 C C . TYR 88 612 ? A 4.945 4.804 2.987 1.000 1 A 95.212 1 ATOM 754 O O . TYR 88 612 ? A 5.124 5.047 1.791 1.000 1 A 95.212 1 ATOM 755 C CB . TYR 88 612 ? A 5.148 6.598 4.719 1.000 1 A 95.212 1 ATOM 756 C CG . TYR 88 612 ? A 6.223 7.287 3.915 1.000 1 A 95.212 1 ATOM 757 C CD1 . TYR 88 612 ? A 7.498 6.737 3.804 1.000 1 A 95.212 1 ATOM 758 C CD2 . TYR 88 612 ? A 5.967 8.490 3.266 1.000 1 A 95.212 1 ATOM 759 C CE1 . TYR 88 612 ? A 8.493 7.370 3.066 1.000 1 A 95.212 1 ATOM 760 C CE2 . TYR 88 612 ? A 6.954 9.132 2.525 1.000 1 A 95.212 1 ATOM 761 C CZ . TYR 88 612 ? A 8.211 8.565 2.431 1.000 1 A 95.212 1 ATOM 762 O OH . TYR 88 612 ? A 9.192 9.196 1.699 1.000 1 A 95.212 1 ATOM 763 N N . ARG 89 613 ? A 5.399 3.729 3.571 1.000 1 A 97.037 1 ATOM 764 C CA . ARG 89 613 ? A 6.168 2.725 2.843 1.000 1 A 97.037 1 ATOM 765 C C . ARG 89 613 ? A 5.335 2.097 1.731 1.000 1 A 97.037 1 ATOM 766 O O . ARG 89 613 ? A 5.830 1.882 0.622 1.000 1 A 97.037 1 ATOM 767 C CB . ARG 89 613 ? A 6.674 1.640 3.796 1.000 1 A 97.037 1 ATOM 768 C CG . ARG 89 613 ? A 7.482 0.548 3.113 1.000 1 A 97.037 1 ATOM 769 C CD . ARG 89 613 ? A 8.766 1.095 2.503 1.000 1 A 97.037 1 ATOM 770 N NE . ARG 89 613 ? A 9.579 0.033 1.918 1.000 1 A 97.037 1 ATOM 771 C CZ . ARG 89 613 ? A 10.614 0.230 1.106 1.000 1 A 97.037 1 ATOM 772 N NH1 . ARG 89 613 ? A 10.983 1.460 0.765 1.000 1 A 97.037 1 ATOM 773 N NH2 . ARG 89 613 ? A 11.285 -0.809 0.631 1.000 1 A 97.037 1 ATOM 774 N N . CYS 90 614 ? A 4.062 1.825 1.984 1.000 1 A 96.486 1 ATOM 775 C CA . CYS 90 614 ? A 3.163 1.279 0.973 1.000 1 A 96.486 1 ATOM 776 C C . CYS 90 614 ? A 3.025 2.235 -0.207 1.000 1 A 96.486 1 ATOM 777 O O . CYS 90 614 ? A 3.103 1.815 -1.363 1.000 1 A 96.486 1 ATOM 778 C CB . CYS 90 614 ? A 1.787 0.996 1.575 1.000 1 A 96.486 1 ATOM 779 S SG . CYS 90 614 ? A 0.671 0.119 0.458 1.000 1 A 96.486 1 ATOM 780 N N . GLU 91 615 ? A 2.870 3.508 0.054 1.000 1 A 95.354 1 ATOM 781 C CA . GLU 91 615 ? A 2.763 4.522 -0.990 1.000 1 A 95.354 1 ATOM 782 C C . GLU 91 615 ? A 4.054 4.622 -1.797 1.000 1 A 95.354 1 ATOM 783 O O . GLU 91 615 ? A 4.020 4.704 -3.026 1.000 1 A 95.354 1 ATOM 784 C CB . GLU 91 615 ? A 2.414 5.884 -0.385 1.000 1 A 95.354 1 ATOM 785 C CG . GLU 91 615 ? A 0.976 5.990 0.103 1.000 1 A 95.354 1 ATOM 786 C CD . GLU 91 615 ? A 0.674 7.310 0.794 1.000 1 A 95.354 1 ATOM 787 O OE1 . GLU 91 615 ? A -0.460 7.487 1.295 1.000 1 A 95.354 1 ATOM 788 O OE2 . GLU 91 615 ? A 1.577 8.175 0.834 1.000 1 A 95.354 1 ATOM 789 N N . TYR 92 616 ? A 5.102 4.647 -1.120 1.000 1 A 97.258 1 ATOM 790 C CA . TYR 92 616 ? A 6.401 4.711 -1.780 1.000 1 A 97.258 1 ATOM 791 C C . TYR 92 616 ? A 6.592 3.530 -2.723 1.000 1 A 97.258 1 ATOM 792 O O . TYR 92 616 ? A 6.968 3.708 -3.884 1.000 1 A 97.258 1 ATOM 793 C CB . TYR 92 616 ? A 7.530 4.741 -0.745 1.000 1 A 97.258 1 ATOM 794 C CG . TYR 92 616 ? A 8.911 4.740 -1.354 1.000 1 A 97.258 1 ATOM 795 C CD1 . TYR 92 616 ? A 9.629 3.554 -1.497 1.000 1 A 97.258 1 ATOM 796 C CD2 . TYR 92 616 ? A 9.501 5.922 -1.786 1.000 1 A 97.258 1 ATOM 797 C CE1 . TYR 92 616 ? A 10.903 3.548 -2.055 1.000 1 A 97.258 1 ATOM 798 C CE2 . TYR 92 616 ? A 10.775 5.928 -2.345 1.000 1 A 97.258 1 ATOM 799 C CZ . TYR 92 616 ? A 11.466 4.738 -2.476 1.000 1 A 97.258 1 ATOM 800 O OH . TYR 92 616 ? A 12.727 4.738 -3.030 1.000 1 A 97.258 1 ATOM 801 N N . LEU 93 617 ? A 6.348 2.300 -2.214 1.000 1 A 97.853 1 ATOM 802 C CA . LEU 93 617 ? A 6.520 1.098 -3.023 1.000 1 A 97.853 1 ATOM 803 C C . LEU 93 617 ? A 5.565 1.101 -4.211 1.000 1 A 97.853 1 ATOM 804 O O . LEU 93 617 ? A 5.934 0.681 -5.310 1.000 1 A 97.853 1 ATOM 805 C CB . LEU 93 617 ? A 6.294 -0.156 -2.174 1.000 1 A 97.853 1 ATOM 806 C CG . LEU 93 617 ? A 7.424 -0.541 -1.219 1.000 1 A 97.853 1 ATOM 807 C CD1 . LEU 93 617 ? A 7.005 -1.722 -0.350 1.000 1 A 97.853 1 ATOM 808 C CD2 . LEU 93 617 ? A 8.694 -0.868 -1.997 1.000 1 A 97.853 1 ATOM 809 N N . HIS 94 618 ? A 4.258 1.565 -3.976 1.000 1 A 97.485 1 ATOM 810 C CA . HIS 94 618 ? A 3.290 1.652 -5.064 1.000 1 A 97.485 1 ATOM 811 C C . HIS 94 618 ? A 3.814 2.527 -6.198 1.000 1 A 97.485 1 ATOM 812 O O . HIS 94 618 ? A 3.810 2.113 -7.360 1.000 1 A 97.485 1 ATOM 813 C CB . HIS 94 618 ? A 1.956 2.198 -4.552 1.000 1 A 97.485 1 ATOM 814 C CG . HIS 94 618 ? A 0.928 2.370 -5.624 1.000 1 A 97.485 1 ATOM 815 N ND1 . HIS 94 618 ? A 0.125 1.337 -6.058 1.000 1 A 97.485 1 ATOM 816 C CD2 . HIS 94 618 ? A 0.570 3.458 -6.347 1.000 1 A 97.485 1 ATOM 817 C CE1 . HIS 94 618 ? A -0.684 1.784 -7.004 1.000 1 A 97.485 1 ATOM 818 N NE2 . HIS 94 618 ? A -0.434 3.067 -7.199 1.000 1 A 97.485 1 ATOM 819 N N . ASN 95 619 ? A 4.284 3.689 -5.853 1.000 1 A 97.404 1 ATOM 820 C CA . ASN 95 619 ? A 4.773 4.639 -6.847 1.000 1 A 97.404 1 ATOM 821 C C . ASN 95 619 ? A 6.031 4.124 -7.543 1.000 1 A 97.404 1 ATOM 822 O O . ASN 95 619 ? A 6.164 4.244 -8.762 1.000 1 A 97.404 1 ATOM 823 C CB . ASN 95 619 ? A 5.042 6.000 -6.202 1.000 1 A 97.404 1 ATOM 824 C CG . ASN 95 619 ? A 3.769 6.711 -5.786 1.000 1 A 97.404 1 ATOM 825 O OD1 . ASN 95 619 ? A 2.719 6.544 -6.411 1.000 1 A 97.404 1 ATOM 826 N ND2 . ASN 95 619 ? A 3.854 7.508 -4.728 1.000 1 A 97.404 1 ATOM 827 N N . LYS 96 620 ? A 6.891 3.551 -6.761 1.000 1 A 98.265 1 ATOM 828 C CA . LYS 96 620 ? A 8.131 3.004 -7.305 1.000 1 A 98.265 1 ATOM 829 C C . LYS 96 620 ? A 7.849 1.867 -8.283 1.000 1 A 98.265 1 ATOM 830 O O . LYS 96 620 ? A 8.348 1.872 -9.410 1.000 1 A 98.265 1 ATOM 831 C CB . LYS 96 620 ? A 9.041 2.512 -6.179 1.000 1 A 98.265 1 ATOM 832 C CG . LYS 96 620 ? A 10.350 1.904 -6.661 1.000 1 A 98.265 1 ATOM 833 C CD . LYS 96 620 ? A 11.217 1.447 -5.495 1.000 1 A 98.265 1 ATOM 834 C CE . LYS 96 620 ? A 12.483 0.751 -5.977 1.000 1 A 98.265 1 ATOM 835 N NZ . LYS 96 620 ? A 13.350 0.326 -4.838 1.000 1 A 98.265 1 ATOM 836 N N . LEU 97 621 ? A 7.069 0.917 -7.902 1.000 1 A 98.458 1 ATOM 837 C CA . LEU 97 621 ? A 6.783 -0.259 -8.716 1.000 1 A 98.458 1 ATOM 838 C C . LEU 97 621 ? A 5.981 0.121 -9.956 1.000 1 A 98.458 1 ATOM 839 O O . LEU 97 621 ? A 6.203 -0.430 -11.037 1.000 1 A 98.458 1 ATOM 840 C CB . LEU 97 621 ? A 6.017 -1.303 -7.899 1.000 1 A 98.458 1 ATOM 841 C CG . LEU 97 621 ? A 6.755 -1.899 -6.699 1.000 1 A 98.458 1 ATOM 842 C CD1 . LEU 97 621 ? A 5.885 -2.943 -6.007 1.000 1 A 98.458 1 ATOM 843 C CD2 . LEU 97 621 ? A 8.083 -2.507 -7.135 1.000 1 A 98.458 1 ATOM 844 N N . ALA 98 622 ? A 5.022 1.048 -9.763 1.000 1 A 98.046 1 ATOM 845 C CA . ALA 98 622 ? A 4.263 1.559 -10.901 1.000 1 A 98.046 1 ATOM 846 C C . ALA 98 622 ? A 5.183 2.228 -11.919 1.000 1 A 98.046 1 ATOM 847 O O . ALA 98 622 ? A 5.006 2.063 -13.128 1.000 1 A 98.046 1 ATOM 848 C CB . ALA 98 622 ? A 3.193 2.541 -10.430 1.000 1 A 98.046 1 ATOM 849 N N . HIS 99 623 ? A 6.173 3.003 -11.459 1.000 1 A 98.399 1 ATOM 850 C CA . HIS 99 623 ? A 7.147 3.667 -12.317 1.000 1 A 98.399 1 ATOM 851 C C . HIS 99 623 ? A 7.974 2.653 -13.100 1.000 1 A 98.399 1 ATOM 852 O O . HIS 99 623 ? A 8.134 2.781 -14.316 1.000 1 A 98.399 1 ATOM 853 C CB . HIS 99 623 ? A 8.067 4.565 -11.488 1.000 1 A 98.399 1 ATOM 854 C CG . HIS 99 623 ? A 9.121 5.253 -12.295 1.000 1 A 98.399 1 ATOM 855 N ND1 . HIS 99 623 ? A 8.823 6.115 -13.329 1.000 1 A 98.399 1 ATOM 856 C CD2 . HIS 99 623 ? A 10.472 5.208 -12.217 1.000 1 A 98.399 1 ATOM 857 C CE1 . HIS 99 623 ? A 9.949 6.570 -13.853 1.000 1 A 98.399 1 ATOM 858 N NE2 . HIS 99 623 ? A 10.964 6.035 -13.197 1.000 1 A 98.399 1 ATOM 859 N N . ILE 100 624 ? A 8.417 1.662 -12.403 1.000 1 A 98.397 1 ATOM 860 C CA . ILE 100 624 ? A 9.218 0.619 -13.035 1.000 1 A 98.397 1 ATOM 861 C C . ILE 100 624 ? A 8.378 -0.115 -14.078 1.000 1 A 98.397 1 ATOM 862 O O . ILE 100 624 ? A 8.833 -0.345 -15.201 1.000 1 A 98.397 1 ATOM 863 C CB . ILE 100 624 ? A 9.771 -0.378 -11.993 1.000 1 A 98.397 1 ATOM 864 C CG1 . ILE 100 624 ? A 10.798 0.311 -11.087 1.000 1 A 98.397 1 ATOM 865 C CG2 . ILE 100 624 ? A 10.384 -1.599 -12.686 1.000 1 A 98.397 1 ATOM 866 C CD1 . ILE 100 624 ? A 11.260 -0.542 -9.914 1.000 1 A 98.397 1 ATOM 867 N N . LYS 101 625 ? A 7.166 -0.502 -13.706 1.000 1 A 98.028 1 ATOM 868 C CA . LYS 101 625 ? A 6.257 -1.190 -14.618 1.000 1 A 98.028 1 ATOM 869 C C . LYS 101 625 ? A 6.039 -0.378 -15.892 1.000 1 A 98.028 1 ATOM 870 O O . LYS 101 625 ? A 6.037 -0.931 -16.994 1.000 1 A 98.028 1 ATOM 871 C CB . LYS 101 625 ? A 4.917 -1.464 -13.935 1.000 1 A 98.028 1 ATOM 872 C CG . LYS 101 625 ? A 4.022 -2.433 -14.694 1.000 1 A 98.028 1 ATOM 873 C CD . LYS 101 625 ? A 2.775 -2.786 -13.894 1.000 1 A 98.028 1 ATOM 874 C CE . LYS 101 625 ? A 1.846 -3.701 -14.680 1.000 1 A 98.028 1 ATOM 875 N NZ . LYS 101 625 ? A 0.594 -4.001 -13.924 1.000 1 A 98.028 1 ATOM 876 N N . ARG 102 626 ? A 5.873 0.925 -15.703 1.000 1 A 98.292 1 ATOM 877 C CA . ARG 102 626 ? A 5.687 1.810 -16.848 1.000 1 A 98.292 1 ATOM 878 C C . ARG 102 626 ? A 6.914 1.801 -17.754 1.000 1 A 98.292 1 ATOM 879 O O . ARG 102 626 ? A 6.789 1.714 -18.977 1.000 1 A 98.292 1 ATOM 880 C CB . ARG 102 626 ? A 5.390 3.237 -16.383 1.000 1 A 98.292 1 ATOM 881 C CG . ARG 102 626 ? A 5.122 4.212 -17.518 1.000 1 A 98.292 1 ATOM 882 C CD . ARG 102 626 ? A 4.947 5.636 -17.009 1.000 1 A 98.292 1 ATOM 883 N NE . ARG 102 626 ? A 6.163 6.135 -16.374 1.000 1 A 98.292 1 ATOM 884 C CZ . ARG 102 626 ? A 7.216 6.618 -17.027 1.000 1 A 98.292 1 ATOM 885 N NH1 . ARG 102 626 ? A 7.223 6.677 -18.354 1.000 1 A 98.292 1 ATOM 886 N NH2 . ARG 102 626 ? A 8.271 7.046 -16.349 1.000 1 A 98.292 1 ATOM 887 N N . LEU 103 627 ? A 8.120 1.919 -17.224 1.000 1 A 98.492 1 ATOM 888 C CA . LEU 103 627 ? A 9.361 1.928 -17.991 1.000 1 A 98.492 1 ATOM 889 C C . LEU 103 627 ? A 9.510 0.644 -18.800 1.000 1 A 98.492 1 ATOM 890 O O . LEU 103 627 ? A 9.906 0.682 -19.967 1.000 1 A 98.492 1 ATOM 891 C CB . LEU 103 627 ? A 10.564 2.102 -17.061 1.000 1 A 98.492 1 ATOM 892 C CG . LEU 103 627 ? A 10.732 3.481 -16.421 1.000 1 A 98.492 1 ATOM 893 C CD1 . LEU 103 627 ? A 11.863 3.455 -15.397 1.000 1 A 98.492 1 ATOM 894 C CD2 . LEU 103 627 ? A 10.994 4.538 -17.488 1.000 1 A 98.492 1 ATOM 895 N N . ILE 104 628 ? A 9.172 -0.447 -18.172 1.000 1 A 98.143 1 ATOM 896 C CA . ILE 104 628 ? A 9.258 -1.734 -18.853 1.000 1 A 98.143 1 ATOM 897 C C . ILE 104 628 ? A 8.253 -1.778 -20.001 1.000 1 A 98.143 1 ATOM 898 O O . ILE 104 628 ? A 8.583 -2.212 -21.107 1.000 1 A 98.143 1 ATOM 899 C CB . ILE 104 628 ? A 9.010 -2.907 -17.878 1.000 1 A 98.143 1 ATOM 900 C CG1 . ILE 104 628 ? A 10.176 -3.038 -16.892 1.000 1 A 98.143 1 ATOM 901 C CG2 . ILE 104 628 ? A 8.795 -4.213 -18.649 1.000 1 A 98.143 1 ATOM 902 C CD1 . ILE 104 628 ? A 9.921 -4.023 -15.759 1.000 1 A 98.143 1 ATOM 903 N N . GLY 105 629 ? A 6.975 -1.376 -19.699 1.000 1 A 97.127 1 ATOM 904 C CA . GLY 105 629 ? A 5.945 -1.318 -20.724 1.000 1 A 97.127 1 ATOM 905 C C . GLY 105 629 ? A 6.330 -0.453 -21.909 1.000 1 A 97.127 1 ATOM 906 O O . GLY 105 629 ? A 6.102 -0.831 -23.060 1.000 1 A 97.127 1 ATOM 907 N N . GLU 106 630 ? A 6.915 0.706 -21.668 1.000 1 A 97.634 1 ATOM 908 C CA . GLU 106 630 ? A 7.353 1.617 -22.721 1.000 1 A 97.634 1 ATOM 909 C C . GLU 106 630 ? A 8.445 0.985 -23.579 1.000 1 A 97.634 1 ATOM 910 O O . GLU 106 630 ? A 8.440 1.128 -24.804 1.000 1 A 97.634 1 ATOM 911 C CB . GLU 106 630 ? A 7.852 2.934 -22.120 1.000 1 A 97.634 1 ATOM 912 C CG . GLU 106 630 ? A 6.746 3.801 -21.535 1.000 1 A 97.634 1 ATOM 913 C CD . GLU 106 630 ? A 7.266 5.055 -20.852 1.000 1 A 97.634 1 ATOM 914 O OE1 . GLU 106 630 ? A 6.447 5.847 -20.332 1.000 1 A 97.634 1 ATOM 915 O OE2 . GLU 106 630 ? A 8.502 5.249 -20.838 1.000 1 A 97.634 1 ATOM 916 N N . PHE 107 631 ? A 9.400 0.343 -22.931 1.000 1 A 97.485 1 ATOM 917 C CA . PHE 107 631 ? A 10.480 -0.327 -23.646 1.000 1 A 97.485 1 ATOM 918 C C . PHE 107 631 ? A 9.935 -1.445 -24.526 1.000 1 A 97.485 1 ATOM 919 O O . PHE 107 631 ? A 10.323 -1.572 -25.689 1.000 1 A 97.485 1 ATOM 920 C CB . PHE 107 631 ? A 11.511 -0.888 -22.662 1.000 1 A 97.485 1 ATOM 921 C CG . PHE 107 631 ? A 12.651 -1.613 -23.325 1.000 1 A 97.485 1 ATOM 922 C CD1 . PHE 107 631 ? A 12.682 -3.002 -23.362 1.000 1 A 97.485 1 ATOM 923 C CD2 . PHE 107 631 ? A 13.692 -0.905 -23.911 1.000 1 A 97.485 1 ATOM 924 C CE1 . PHE 107 631 ? A 13.736 -3.676 -23.975 1.000 1 A 97.485 1 ATOM 925 C CE2 . PHE 107 631 ? A 14.749 -1.571 -24.525 1.000 1 A 97.485 1 ATOM 926 C CZ . PHE 107 631 ? A 14.769 -2.956 -24.555 1.000 1 A 97.485 1 ATOM 927 N N . ASP 108 632 ? A 9.013 -2.219 -23.983 1.000 1 A 96.182 1 ATOM 928 C CA . ASP 108 632 ? A 8.418 -3.318 -24.738 1.000 1 A 96.182 1 ATOM 929 C C . ASP 108 632 ? A 7.652 -2.799 -25.952 1.000 1 A 96.182 1 ATOM 930 O O . ASP 108 632 ? A 7.688 -3.410 -27.023 1.000 1 A 96.182 1 ATOM 931 C CB . ASP 108 632 ? A 7.491 -4.143 -23.843 1.000 1 A 96.182 1 ATOM 932 C CG . ASP 108 632 ? A 8.241 -4.973 -22.816 1.000 1 A 96.182 1 ATOM 933 O OD1 . ASP 108 632 ? A 9.474 -5.130 -22.943 1.000 1 A 96.182 1 ATOM 934 O OD2 . ASP 108 632 ? A 7.592 -5.476 -21.874 1.000 1 A 96.182 1 ATOM 935 N N . GLN 109 633 ? A 6.956 -1.771 -25.795 1.000 1 A 96.107 1 ATOM 936 C CA . GLN 109 633 ? A 6.218 -1.143 -26.886 1.000 1 A 96.107 1 ATOM 937 C C . GLN 109 633 ? A 7.163 -0.660 -27.983 1.000 1 A 96.107 1 ATOM 938 O O . GLN 109 633 ? A 6.886 -0.839 -29.171 1.000 1 A 96.107 1 ATOM 939 C CB . GLN 109 633 ? A 5.378 0.024 -26.365 1.000 1 A 96.107 1 ATOM 940 C CG . GLN 109 633 ? A 4.487 0.661 -27.423 1.000 1 A 96.107 1 ATOM 941 C CD . GLN 109 633 ? A 3.430 1.572 -26.829 1.000 1 A 96.107 1 ATOM 942 O OE1 . GLN 109 633 ? A 3.733 2.443 -26.007 1.000 1 A 96.107 1 ATOM 943 N NE2 . GLN 109 633 ? A 2.181 1.379 -27.239 1.000 1 A 96.107 1 ATOM 944 N N . GLN 110 634 ? A 8.261 -0.020 -27.607 1.000 1 A 95.257 1 ATOM 945 C CA . GLN 110 634 ? A 9.257 0.464 -28.557 1.000 1 A 95.257 1 ATOM 946 C C . GLN 110 634 ? A 9.880 -0.689 -29.338 1.000 1 A 95.257 1 ATOM 947 O O . GLN 110 634 ? A 10.137 -0.567 -30.537 1.000 1 A 95.257 1 ATOM 948 C CB . GLN 110 634 ? A 10.346 1.259 -27.836 1.000 1 A 95.257 1 ATOM 949 C CG . GLN 110 634 ? A 9.869 2.597 -27.285 1.000 1 A 95.257 1 ATOM 950 C CD . GLN 110 634 ? A 10.935 3.311 -26.475 1.000 1 A 95.257 1 ATOM 951 O OE1 . GLN 110 634 ? A 11.997 2.750 -26.189 1.000 1 A 95.257 1 ATOM 952 N NE2 . GLN 110 634 ? A 10.658 4.555 -26.098 1.000 1 A 95.257 1 ATOM 953 N N . GLN 111 635 ? A 10.108 -1.783 -28.654 1.000 1 A 93.129 1 ATOM 954 C CA . GLN 111 635 ? A 10.700 -2.945 -29.307 1.000 1 A 93.129 1 ATOM 955 C C . GLN 111 635 ? A 9.714 -3.598 -30.271 1.000 1 A 93.129 1 ATOM 956 O O . GLN 111 635 ? A 10.106 -4.084 -31.334 1.000 1 A 93.129 1 ATOM 957 C CB . GLN 111 635 ? A 11.170 -3.964 -28.268 1.000 1 A 93.129 1 ATOM 958 C CG . GLN 111 635 ? A 12.349 -3.488 -27.429 1.000 1 A 93.129 1 ATOM 959 C CD . GLN 111 635 ? A 13.563 -3.137 -28.268 1.000 1 A 93.129 1 ATOM 960 O OE1 . GLN 111 635 ? A 13.883 -3.829 -29.240 1.000 1 A 93.129 1 ATOM 961 N NE2 . GLN 111 635 ? A 14.248 -2.061 -27.898 1.000 1 A 93.129 1 ATOM 962 N N . ALA 112 636 ? A 8.506 -3.624 -29.865 1.000 1 A 93.046 1 ATOM 963 C CA . ALA 112 636 ? A 7.473 -4.179 -30.736 1.000 1 A 93.046 1 ATOM 964 C C . ALA 112 636 ? A 7.304 -3.333 -31.995 1.000 1 A 93.046 1 ATOM 965 O O . ALA 112 636 ? A 7.086 -3.868 -33.085 1.000 1 A 93.046 1 ATOM 966 C CB . ALA 112 636 ? A 6.146 -4.285 -29.988 1.000 1 A 93.046 1 ATOM 967 N N . GLU 113 637 ? A 7.391 -1.979 -31.883 1.000 1 A 92.301 1 ATOM 968 C CA . GLU 113 637 ? A 7.267 -1.066 -33.016 1.000 1 A 92.301 1 ATOM 969 C C . GLU 113 637 ? A 8.483 -1.157 -33.933 1.000 1 A 92.301 1 ATOM 970 O O . GLU 113 637 ? A 8.373 -0.943 -35.142 1.000 1 A 92.301 1 ATOM 971 C CB . GLU 113 637 ? A 7.083 0.374 -32.529 1.000 1 A 92.301 1 ATOM 972 C CG . GLU 113 637 ? A 5.752 0.622 -31.834 1.000 1 A 92.301 1 ATOM 973 C CD . GLU 113 637 ? A 5.664 1.990 -31.177 1.000 1 A 92.301 1 ATOM 974 O OE1 . GLU 113 637 ? A 4.643 2.280 -30.513 1.000 1 A 92.301 1 ATOM 975 O OE2 . GLU 113 637 ? A 6.623 2.779 -31.329 1.000 1 A 92.301 1 ATOM 976 N N . SER 114 638 ? A 9.645 -1.380 -33.380 1.000 1 A 87.603 1 ATOM 977 C CA . SER 114 638 ? A 10.854 -1.513 -34.186 1.000 1 A 87.603 1 ATOM 978 C C . SER 114 638 ? A 10.831 -2.795 -35.012 1.000 1 A 87.603 1 ATOM 979 O O . SER 114 638 ? A 11.400 -2.847 -36.104 1.000 1 A 87.603 1 ATOM 980 C CB . SER 114 638 ? A 12.097 -1.494 -33.295 1.000 1 A 87.603 1 ATOM 981 O OG . SER 114 638 ? A 12.082 -2.581 -32.386 1.000 1 A 87.603 1 ATOM 982 N N . TRP 115 639 ? A 9.987 -3.809 -34.605 1.000 1 A 76.183 1 ATOM 983 C CA . TRP 115 639 ? A 9.893 -5.069 -35.335 1.000 1 A 76.183 1 ATOM 984 C C . TRP 115 639 ? A 8.748 -5.031 -36.342 1.000 1 A 76.183 1 ATOM 985 O O . TRP 115 639 ? A 8.709 -5.833 -37.278 1.000 1 A 76.183 1 ATOM 986 C CB . TRP 115 639 ? A 9.699 -6.239 -34.367 1.000 1 A 76.183 1 ATOM 987 C CG . TRP 115 639 ? A 10.925 -6.585 -33.576 1.000 1 A 76.183 1 ATOM 988 C CD1 . TRP 115 639 ? A 11.369 -5.974 -32.436 1.000 1 A 76.183 1 ATOM 989 C CD2 . TRP 115 639 ? A 11.868 -7.620 -33.870 1.000 1 A 76.183 1 ATOM 990 N NE1 . TRP 115 639 ? A 12.532 -6.569 -32.003 1.000 1 A 76.183 1 ATOM 991 C CE2 . TRP 115 639 ? A 12.859 -7.580 -32.865 1.000 1 A 76.183 1 ATOM 992 C CE3 . TRP 115 639 ? A 11.971 -8.578 -34.887 1.000 1 A 76.183 1 ATOM 993 C CZ2 . TRP 115 639 ? A 13.941 -8.465 -32.847 1.000 1 A 76.183 1 ATOM 994 C CZ3 . TRP 115 639 ? A 13.048 -9.457 -34.868 1.000 1 A 76.183 1 ATOM 995 C CH2 . TRP 115 639 ? A 14.017 -9.392 -33.854 1.000 1 A 76.183 1 ATOM 996 N N . SER 116 640 ? A 7.733 -4.091 -36.149 1.000 1 A 67.563 1 ATOM 997 C CA . SER 116 640 ? A 6.640 -3.964 -37.107 1.000 1 A 67.563 1 ATOM 998 C C . SER 116 640 ? A 7.065 -3.150 -38.324 1.000 1 A 67.563 1 ATOM 999 O O . SER 116 640 ? A 6.696 -3.475 -39.455 1.000 1 A 67.563 1 ATOM 1000 C CB . SER 116 640 ? A 5.423 -3.314 -36.448 1.000 1 A 67.563 1 ATOM 1001 O OG . SER 116 640 ? A 4.402 -3.076 -37.402 1.000 1 A 67.563 1 ATOM 1002 N N . SER 1 161 ? B 17.358 21.361 33.336 1.000 2 B 36.563 1 ATOM 1003 C CA . SER 1 161 ? B 18.142 20.488 34.205 1.000 2 B 36.563 1 ATOM 1004 C C . SER 1 161 ? B 17.823 19.020 33.946 1.000 2 B 36.563 1 ATOM 1005 O O . SER 1 161 ? B 16.668 18.601 34.057 1.000 2 B 36.563 1 ATOM 1006 C CB . SER 1 161 ? B 17.884 20.823 35.674 1.000 2 B 36.563 1 ATOM 1007 O OG . SER 1 161 ? B 17.864 22.226 35.875 1.000 2 B 36.563 1 ATOM 1008 N N . SER 2 162 ? B 18.732 18.273 33.192 1.000 2 B 36.893 1 ATOM 1009 C CA . SER 2 162 ? B 19.663 17.192 33.498 1.000 2 B 36.893 1 ATOM 1010 C C . SER 2 162 ? B 19.254 15.896 32.807 1.000 2 B 36.893 1 ATOM 1011 O O . SER 2 162 ? B 18.094 15.484 32.886 1.000 2 B 36.893 1 ATOM 1012 C CB . SER 2 162 ? B 19.749 16.970 35.009 1.000 2 B 36.893 1 ATOM 1013 O OG . SER 2 162 ? B 20.751 16.018 35.321 1.000 2 B 36.893 1 ATOM 1014 N N . SER 3 163 ? B 20.067 15.393 31.833 1.000 2 B 42.655 1 ATOM 1015 C CA . SER 3 163 ? B 21.016 14.288 31.927 1.000 2 B 42.655 1 ATOM 1016 C C . SER 3 163 ? B 20.871 13.333 30.748 1.000 2 B 42.655 1 ATOM 1017 O O . SER 3 163 ? B 19.759 12.933 30.399 1.000 2 B 42.655 1 ATOM 1018 C CB . SER 3 163 ? B 20.823 13.526 33.238 1.000 2 B 42.655 1 ATOM 1019 O OG . SER 3 163 ? B 19.456 13.212 33.441 1.000 2 B 42.655 1 ATOM 1020 N N . ARG 4 164 ? B 21.798 13.325 29.786 1.000 2 B 41.570 1 ATOM 1021 C CA . ARG 4 164 ? B 22.890 12.539 29.220 1.000 2 B 41.570 1 ATOM 1022 C C . ARG 4 164 ? B 22.735 11.061 29.562 1.000 2 B 41.570 1 ATOM 1023 O O . ARG 4 164 ? B 22.630 10.698 30.735 1.000 2 B 41.570 1 ATOM 1024 C CB . ARG 4 164 ? B 24.240 13.055 29.721 1.000 2 B 41.570 1 ATOM 1025 C CG . ARG 4 164 ? B 24.911 14.043 28.780 1.000 2 B 41.570 1 ATOM 1026 C CD . ARG 4 164 ? B 26.230 14.553 29.343 1.000 2 B 41.570 1 ATOM 1027 N NE . ARG 4 164 ? B 27.045 15.191 28.314 1.000 2 B 41.570 1 ATOM 1028 C CZ . ARG 4 164 ? B 28.265 15.683 28.510 1.000 2 B 41.570 1 ATOM 1029 N NH1 . ARG 4 164 ? B 28.838 15.620 29.706 1.000 2 B 41.570 1 ATOM 1030 N NH2 . ARG 4 164 ? B 28.918 16.243 27.502 1.000 2 B 41.570 1 ATOM 1031 N N . LYS 5 165 ? B 22.451 10.125 28.580 1.000 2 B 51.826 1 ATOM 1032 C CA . LYS 5 165 ? B 22.890 8.733 28.562 1.000 2 B 51.826 1 ATOM 1033 C C . LYS 5 165 ? B 23.432 8.345 27.189 1.000 2 B 51.826 1 ATOM 1034 O O . LYS 5 165 ? B 22.765 8.548 26.172 1.000 2 B 51.826 1 ATOM 1035 C CB . LYS 5 165 ? B 21.741 7.802 28.953 1.000 2 B 51.826 1 ATOM 1036 C CG . LYS 5 165 ? B 21.736 7.409 30.423 1.000 2 B 51.826 1 ATOM 1037 C CD . LYS 5 165 ? B 20.703 6.327 30.709 1.000 2 B 51.826 1 ATOM 1038 C CE . LYS 5 165 ? B 20.800 5.824 32.143 1.000 2 B 51.826 1 ATOM 1039 N NZ . LYS 5 165 ? B 19.564 5.096 32.560 1.000 2 B 51.826 1 ATOM 1040 N N . LYS 6 166 ? B 24.744 8.420 26.893 1.000 2 B 43.598 1 ATOM 1041 C CA . LYS 6 166 ? B 25.953 7.778 26.387 1.000 2 B 43.598 1 ATOM 1042 C C . LYS 6 166 ? B 25.975 6.293 26.738 1.000 2 B 43.598 1 ATOM 1043 O O . LYS 6 166 ? B 25.901 5.926 27.912 1.000 2 B 43.598 1 ATOM 1044 C CB . LYS 6 166 ? B 27.201 8.466 26.943 1.000 2 B 43.598 1 ATOM 1045 C CG . LYS 6 166 ? B 28.469 8.181 26.152 1.000 2 B 43.598 1 ATOM 1046 C CD . LYS 6 166 ? B 29.571 9.179 26.485 1.000 2 B 43.598 1 ATOM 1047 C CE . LYS 6 166 ? B 30.864 8.851 25.751 1.000 2 B 43.598 1 ATOM 1048 N NZ . LYS 6 166 ? B 31.933 9.854 26.037 1.000 2 B 43.598 1 ATOM 1049 N N . GLY 7 167 ? B 25.708 5.345 25.795 1.000 2 B 47.466 1 ATOM 1050 C CA . GLY 7 167 ? B 26.171 3.968 25.848 1.000 2 B 47.466 1 ATOM 1051 C C . GLY 7 167 ? B 26.633 3.442 24.502 1.000 2 B 47.466 1 ATOM 1052 O O . GLY 7 167 ? B 25.935 3.594 23.497 1.000 2 B 47.466 1 ATOM 1053 N N . GLN 8 168 ? B 27.880 3.549 24.165 1.000 2 B 37.293 1 ATOM 1054 C CA . GLN 8 168 ? B 29.118 2.866 23.802 1.000 2 B 37.293 1 ATOM 1055 C C . GLN 8 168 ? B 29.063 1.389 24.183 1.000 2 B 37.293 1 ATOM 1056 O O . GLN 8 168 ? B 28.730 1.048 25.320 1.000 2 B 37.293 1 ATOM 1057 C CB . GLN 8 168 ? B 30.318 3.537 24.471 1.000 2 B 37.293 1 ATOM 1058 C CG . GLN 8 168 ? B 31.134 4.416 23.532 1.000 2 B 37.293 1 ATOM 1059 C CD . GLN 8 168 ? B 32.484 4.798 24.110 1.000 2 B 37.293 1 ATOM 1060 O OE1 . GLN 8 168 ? B 32.584 5.203 25.272 1.000 2 B 37.293 1 ATOM 1061 N NE2 . GLN 8 168 ? B 33.531 4.672 23.302 1.000 2 B 37.293 1 ATOM 1062 N N . HIS 9 169 ? B 29.104 0.366 23.157 1.000 2 B 40.700 1 ATOM 1063 C CA . HIS 9 169 ? B 29.934 -0.828 23.046 1.000 2 B 40.700 1 ATOM 1064 C C . HIS 9 169 ? B 29.545 -1.657 21.826 1.000 2 B 40.700 1 ATOM 1065 O O . HIS 9 169 ? B 28.358 -1.880 21.574 1.000 2 B 40.700 1 ATOM 1066 C CB . HIS 9 169 ? B 29.825 -1.677 24.314 1.000 2 B 40.700 1 ATOM 1067 C CG . HIS 9 169 ? B 30.741 -1.237 25.411 1.000 2 B 40.700 1 ATOM 1068 N ND1 . HIS 9 169 ? B 32.067 -1.608 25.465 1.000 2 B 40.700 1 ATOM 1069 C CD2 . HIS 9 169 ? B 30.521 -0.454 26.493 1.000 2 B 40.700 1 ATOM 1070 C CE1 . HIS 9 169 ? B 32.624 -1.071 26.538 1.000 2 B 40.700 1 ATOM 1071 N NE2 . HIS 9 169 ? B 31.708 -0.366 27.179 1.000 2 B 40.700 1 ATOM 1072 N N . GLY 10 170 ? B 30.349 -1.766 20.769 1.000 2 B 32.891 1 ATOM 1073 C CA . GLY 10 170 ? B 31.365 -2.725 20.365 1.000 2 B 32.891 1 ATOM 1074 C C . GLY 10 170 ? B 30.838 -4.144 20.260 1.000 2 B 32.891 1 ATOM 1075 O O . GLY 10 170 ? B 30.001 -4.562 21.063 1.000 2 B 32.891 1 ATOM 1076 N N . SER 11 171 ? B 30.806 -4.749 19.094 1.000 2 B 44.527 1 ATOM 1077 C CA . SER 11 171 ? B 31.544 -5.986 18.855 1.000 2 B 44.527 1 ATOM 1078 C C . SER 11 171 ? B 30.936 -6.778 17.702 1.000 2 B 44.527 1 ATOM 1079 O O . SER 11 171 ? B 29.722 -6.988 17.658 1.000 2 B 44.527 1 ATOM 1080 C CB . SER 11 171 ? B 31.570 -6.847 20.118 1.000 2 B 44.527 1 ATOM 1081 O OG . SER 11 171 ? B 30.255 -7.091 20.588 1.000 2 B 44.527 1 ATOM 1082 N N . GLU 12 172 ? B 31.444 -6.719 16.489 1.000 2 B 37.891 1 ATOM 1083 C CA . GLU 12 172 ? B 32.037 -7.537 15.435 1.000 2 B 37.891 1 ATOM 1084 C C . GLU 12 172 ? B 31.921 -9.024 15.760 1.000 2 B 37.891 1 ATOM 1085 O O . GLU 12 172 ? B 32.402 -9.477 16.801 1.000 2 B 37.891 1 ATOM 1086 C CB . GLU 12 172 ? B 33.505 -7.158 15.221 1.000 2 B 37.891 1 ATOM 1087 C CG . GLU 12 172 ? B 33.738 -5.662 15.069 1.000 2 B 37.891 1 ATOM 1088 C CD . GLU 12 172 ? B 35.183 -5.309 14.755 1.000 2 B 37.891 1 ATOM 1089 O OE1 . GLU 12 172 ? B 35.456 -4.800 13.644 1.000 2 B 37.891 1 ATOM 1090 O OE2 . GLU 12 172 ? B 36.049 -5.543 15.627 1.000 2 B 37.891 1 ATOM 1091 N N . HIS 13 173 ? B 30.878 -9.731 15.344 1.000 2 B 46.325 1 ATOM 1092 C CA . HIS 13 173 ? B 30.632 -11.165 15.243 1.000 2 B 46.325 1 ATOM 1093 C C . HIS 13 173 ? B 31.112 -11.714 13.904 1.000 2 B 46.325 1 ATOM 1094 O O . HIS 13 173 ? B 30.767 -11.178 12.848 1.000 2 B 46.325 1 ATOM 1095 C CB . HIS 13 173 ? B 29.144 -11.468 15.432 1.000 2 B 46.325 1 ATOM 1096 C CG . HIS 13 173 ? B 28.666 -11.276 16.836 1.000 2 B 46.325 1 ATOM 1097 N ND1 . HIS 13 173 ? B 28.986 -12.146 17.856 1.000 2 B 46.325 1 ATOM 1098 C CD2 . HIS 13 173 ? B 27.894 -10.311 17.388 1.000 2 B 46.325 1 ATOM 1099 C CE1 . HIS 13 173 ? B 28.428 -11.723 18.978 1.000 2 B 46.325 1 ATOM 1100 N NE2 . HIS 13 173 ? B 27.760 -10.612 18.721 1.000 2 B 46.325 1 ATOM 1101 N N . SER 14 174 ? B 32.405 -12.025 13.751 1.000 2 B 40.068 1 ATOM 1102 C CA . SER 14 174 ? B 33.139 -13.059 13.027 1.000 2 B 40.068 1 ATOM 1103 C C . SER 14 174 ? B 32.686 -14.454 13.446 1.000 2 B 40.068 1 ATOM 1104 O O . SER 14 174 ? B 32.486 -14.717 14.633 1.000 2 B 40.068 1 ATOM 1105 C CB . SER 14 174 ? B 34.643 -12.911 13.259 1.000 2 B 40.068 1 ATOM 1106 O OG . SER 14 174 ? B 35.081 -11.611 12.906 1.000 2 B 40.068 1 ATOM 1107 N N . LYS 15 175 ? B 32.027 -15.241 12.601 1.000 2 B 36.599 1 ATOM 1108 C CA . LYS 15 175 ? B 32.253 -16.460 11.828 1.000 2 B 36.599 1 ATOM 1109 C C . LYS 15 175 ? B 32.446 -17.664 12.745 1.000 2 B 36.599 1 ATOM 1110 O O . LYS 15 175 ? B 33.225 -17.606 13.699 1.000 2 B 36.599 1 ATOM 1111 C CB . LYS 15 175 ? B 33.466 -16.298 10.912 1.000 2 B 36.599 1 ATOM 1112 C CG . LYS 15 175 ? B 33.265 -15.291 9.789 1.000 2 B 36.599 1 ATOM 1113 C CD . LYS 15 175 ? B 34.511 -15.164 8.922 1.000 2 B 36.599 1 ATOM 1114 C CE . LYS 15 175 ? B 34.213 -14.437 7.617 1.000 2 B 36.599 1 ATOM 1115 N NZ . LYS 15 175 ? B 35.450 -14.219 6.809 1.000 2 B 36.599 1 ATOM 1116 N N . SER 16 176 ? B 31.550 -18.673 12.692 1.000 2 B 32.400 1 ATOM 1117 C CA . SER 16 176 ? B 31.544 -20.054 12.221 1.000 2 B 32.400 1 ATOM 1118 C C . SER 16 176 ? B 32.354 -20.957 13.146 1.000 2 B 32.400 1 ATOM 1119 O O . SER 16 176 ? B 33.489 -20.632 13.500 1.000 2 B 32.400 1 ATOM 1120 C CB . SER 16 176 ? B 32.097 -20.139 10.798 1.000 2 B 32.400 1 ATOM 1121 O OG . SER 16 176 ? B 32.522 -18.864 10.347 1.000 2 B 32.400 1 ATOM 1122 N N . ARG 17 177 ? B 31.662 -21.891 13.803 1.000 2 B 38.145 1 ATOM 1123 C CA . ARG 17 177 ? B 32.183 -23.234 14.036 1.000 2 B 38.145 1 ATOM 1124 C C . ARG 17 177 ? B 31.190 -24.076 14.832 1.000 2 B 38.145 1 ATOM 1125 O O . ARG 17 177 ? B 30.644 -23.616 15.837 1.000 2 B 38.145 1 ATOM 1126 C CB . ARG 17 177 ? B 33.524 -23.172 14.770 1.000 2 B 38.145 1 ATOM 1127 C CG . ARG 17 177 ? B 34.691 -22.759 13.887 1.000 2 B 38.145 1 ATOM 1128 C CD . ARG 17 177 ? B 36.005 -22.754 14.656 1.000 2 B 38.145 1 ATOM 1129 N NE . ARG 17 177 ? B 37.149 -22.932 13.767 1.000 2 B 38.145 1 ATOM 1130 C CZ . ARG 17 177 ? B 38.416 -23.002 14.167 1.000 2 B 38.145 1 ATOM 1131 N NH1 . ARG 17 177 ? B 38.727 -22.909 15.455 1.000 2 B 38.145 1 ATOM 1132 N NH2 . ARG 17 177 ? B 39.380 -23.165 13.272 1.000 2 B 38.145 1 ATOM 1133 N N . SER 18 178 ? B 30.446 -25.023 14.279 1.000 2 B 39.825 1 ATOM 1134 C CA . SER 18 178 ? B 30.792 -26.440 14.338 1.000 2 B 39.825 1 ATOM 1135 C C . SER 18 178 ? B 30.342 -27.063 15.656 1.000 2 B 39.825 1 ATOM 1136 O O . SER 18 178 ? B 30.563 -26.493 16.726 1.000 2 B 39.825 1 ATOM 1137 C CB . SER 18 178 ? B 32.298 -26.632 14.162 1.000 2 B 39.825 1 ATOM 1138 O OG . SER 18 178 ? B 32.725 -27.841 14.766 1.000 2 B 39.825 1 ATOM 1139 N N . SER 19 179 ? B 29.321 -27.957 15.648 1.000 2 B 37.173 1 ATOM 1140 C CA . SER 19 179 ? B 29.278 -29.399 15.870 1.000 2 B 37.173 1 ATOM 1141 C C . SER 19 179 ? B 28.872 -29.725 17.303 1.000 2 B 37.173 1 ATOM 1142 O O . SER 19 179 ? B 29.437 -29.180 18.254 1.000 2 B 37.173 1 ATOM 1143 C CB . SER 19 179 ? B 30.636 -30.030 15.560 1.000 2 B 37.173 1 ATOM 1144 O OG . SER 19 179 ? B 31.660 -29.425 16.331 1.000 2 B 37.173 1 ATOM 1145 N N . SER 20 180 ? B 27.634 -30.283 17.552 1.000 2 B 37.332 1 ATOM 1146 C CA . SER 20 180 ? B 27.134 -31.586 17.978 1.000 2 B 37.332 1 ATOM 1147 C C . SER 20 180 ? B 26.489 -31.506 19.358 1.000 2 B 37.332 1 ATOM 1148 O O . SER 20 180 ? B 27.037 -30.883 20.270 1.000 2 B 37.332 1 ATOM 1149 C CB . SER 20 180 ? B 28.265 -32.615 17.993 1.000 2 B 37.332 1 ATOM 1150 O OG . SER 20 180 ? B 28.451 -33.177 16.706 1.000 2 B 37.332 1 ATOM 1151 N N . PRO 21 181 ? B 25.577 -32.398 19.680 1.000 2 B 42.654 1 ATOM 1152 C CA . PRO 21 181 ? B 24.299 -32.503 20.388 1.000 2 B 42.654 1 ATOM 1153 C C . PRO 21 181 ? B 24.411 -33.285 21.695 1.000 2 B 42.654 1 ATOM 1154 O O . PRO 21 181 ? B 25.204 -34.226 21.790 1.000 2 B 42.654 1 ATOM 1155 C CB . PRO 21 181 ? B 23.401 -33.236 19.388 1.000 2 B 42.654 1 ATOM 1156 C CG . PRO 21 181 ? B 24.321 -34.155 18.651 1.000 2 B 42.654 1 ATOM 1157 C CD . PRO 21 181 ? B 25.725 -33.904 19.123 1.000 2 B 42.654 1 ATOM 1158 N N . GLY 22 182 ? B 23.898 -32.729 22.754 1.000 2 B 42.236 1 ATOM 1159 C CA . GLY 22 182 ? B 23.671 -33.132 24.132 1.000 2 B 42.236 1 ATOM 1160 C C . GLY 22 182 ? B 22.267 -33.652 24.378 1.000 2 B 42.236 1 ATOM 1161 O O . GLY 22 182 ? B 21.298 -33.117 23.836 1.000 2 B 42.236 1 ATOM 1162 N N . LYS 23 183 ? B 21.963 -34.950 24.251 1.000 2 B 33.431 1 ATOM 1163 C CA . LYS 23 183 ? B 21.139 -35.954 24.917 1.000 2 B 33.431 1 ATOM 1164 C C . LYS 23 183 ? B 20.972 -35.634 26.399 1.000 2 B 33.431 1 ATOM 1165 O O . LYS 23 183 ? B 21.949 -35.337 27.089 1.000 2 B 33.431 1 ATOM 1166 C CB . LYS 23 183 ? B 21.747 -37.347 24.747 1.000 2 B 33.431 1 ATOM 1167 C CG . LYS 23 183 ? B 21.167 -38.138 23.583 1.000 2 B 33.431 1 ATOM 1168 C CD . LYS 23 183 ? B 21.798 -39.520 23.477 1.000 2 B 33.431 1 ATOM 1169 C CE . LYS 23 183 ? B 21.232 -40.306 22.302 1.000 2 B 33.431 1 ATOM 1170 N NZ . LYS 23 183 ? B 21.873 -41.648 22.172 1.000 2 B 33.431 1 ATOM 1171 N N . PRO 24 184 ? B 19.944 -36.246 27.122 1.000 2 B 47.807 1 ATOM 1172 C CA . PRO 24 184 ? B 18.487 -36.394 27.152 1.000 2 B 47.807 1 ATOM 1173 C C . PRO 24 184 ? B 17.895 -36.126 28.534 1.000 2 B 47.807 1 ATOM 1174 O O . PRO 24 184 ? B 18.637 -35.965 29.507 1.000 2 B 47.807 1 ATOM 1175 C CB . PRO 24 184 ? B 18.272 -37.852 26.739 1.000 2 B 47.807 1 ATOM 1176 C CG . PRO 24 184 ? B 19.430 -38.591 27.330 1.000 2 B 47.807 1 ATOM 1177 C CD . PRO 24 184 ? B 20.370 -37.593 27.942 1.000 2 B 47.807 1 ATOM 1178 N N . GLN 25 185 ? B 16.659 -35.764 28.717 1.000 2 B 39.953 1 ATOM 1179 C CA . GLN 25 185 ? B 15.795 -35.974 29.874 1.000 2 B 39.953 1 ATOM 1180 C C . GLN 25 185 ? B 14.426 -36.498 29.450 1.000 2 B 39.953 1 ATOM 1181 O O . GLN 25 185 ? B 13.805 -35.958 28.533 1.000 2 B 39.953 1 ATOM 1182 C CB . GLN 25 185 ? B 15.637 -34.677 30.670 1.000 2 B 39.953 1 ATOM 1183 C CG . GLN 25 185 ? B 16.861 -34.312 31.500 1.000 2 B 39.953 1 ATOM 1184 C CD . GLN 25 185 ? B 16.555 -33.288 32.577 1.000 2 B 39.953 1 ATOM 1185 O OE1 . GLN 25 185 ? B 15.602 -32.512 32.461 1.000 2 B 39.953 1 ATOM 1186 N NE2 . GLN 25 185 ? B 17.362 -33.279 33.632 1.000 2 B 39.953 1 ATOM 1187 N N . ALA 26 186 ? B 14.060 -37.824 29.642 1.000 2 B 35.626 1 ATOM 1188 C CA . ALA 26 186 ? B 13.331 -38.809 30.437 1.000 2 B 35.626 1 ATOM 1189 C C . ALA 26 186 ? B 11.994 -38.248 30.913 1.000 2 B 35.626 1 ATOM 1190 O O . ALA 26 186 ? B 11.929 -37.124 31.415 1.000 2 B 35.626 1 ATOM 1191 C CB . ALA 26 186 ? B 14.172 -39.257 31.630 1.000 2 B 35.626 1 ATOM 1192 N N . VAL 27 187 ? B 10.807 -38.736 30.379 1.000 2 B 33.785 1 ATOM 1193 C CA . VAL 27 187 ? B 9.698 -39.522 30.909 1.000 2 B 33.785 1 ATOM 1194 C C . VAL 27 187 ? B 8.392 -39.082 30.252 1.000 2 B 33.785 1 ATOM 1195 O O . VAL 27 187 ? B 8.139 -37.885 30.099 1.000 2 B 33.785 1 ATOM 1196 C CB . VAL 27 187 ? B 9.593 -39.390 32.445 1.000 2 B 33.785 1 ATOM 1197 C CG1 . VAL 27 187 ? B 10.787 -40.054 33.128 1.000 2 B 33.785 1 ATOM 1198 C CG2 . VAL 27 187 ? B 9.492 -37.920 32.848 1.000 2 B 33.785 1 ATOM 1199 N N . SER 28 188 ? B 7.759 -39.919 29.490 1.000 2 B 41.941 1 ATOM 1200 C CA . SER 28 188 ? B 6.417 -40.468 29.652 1.000 2 B 41.941 1 ATOM 1201 C C . SER 28 188 ? B 5.882 -41.021 28.336 1.000 2 B 41.941 1 ATOM 1202 O O . SER 28 188 ? B 5.966 -40.359 27.299 1.000 2 B 41.941 1 ATOM 1203 C CB . SER 28 188 ? B 5.462 -39.401 30.192 1.000 2 B 41.941 1 ATOM 1204 O OG . SER 28 188 ? B 5.876 -38.958 31.472 1.000 2 B 41.941 1 ATOM 1205 N N . SER 29 189 ? B 6.043 -42.295 28.096 1.000 2 B 33.741 1 ATOM 1206 C CA . SER 29 189 ? B 5.292 -43.512 27.803 1.000 2 B 33.741 1 ATOM 1207 C C . SER 29 189 ? B 3.828 -43.201 27.512 1.000 2 B 33.741 1 ATOM 1208 O O . SER 29 189 ? B 3.149 -42.570 28.325 1.000 2 B 33.741 1 ATOM 1209 C CB . SER 29 189 ? B 5.392 -44.497 28.968 1.000 2 B 33.741 1 ATOM 1210 O OG . SER 29 189 ? B 6.741 -44.676 29.362 1.000 2 B 33.741 1 ATOM 1211 N N . LEU 30 190 ? B 3.415 -43.122 26.296 1.000 2 B 42.746 1 ATOM 1212 C CA . LEU 30 190 ? B 2.199 -43.712 25.748 1.000 2 B 42.746 1 ATOM 1213 C C . LEU 30 190 ? B 2.394 -44.100 24.286 1.000 2 B 42.746 1 ATOM 1214 O O . LEU 30 190 ? B 2.871 -43.295 23.484 1.000 2 B 42.746 1 ATOM 1215 C CB . LEU 30 190 ? B 1.025 -42.738 25.877 1.000 2 B 42.746 1 ATOM 1216 C CG . LEU 30 190 ? B 0.593 -42.382 27.300 1.000 2 B 42.746 1 ATOM 1217 C CD1 . LEU 30 190 ? B -0.158 -41.055 27.309 1.000 2 B 42.746 1 ATOM 1218 C CD2 . LEU 30 190 ? B -0.266 -43.493 27.893 1.000 2 B 42.746 1 ATOM 1219 N N . ASN 31 191 ? B 2.858 -45.293 24.027 1.000 2 B 33.410 1 ATOM 1220 C CA . ASN 31 191 ? B 2.492 -46.460 23.231 1.000 2 B 33.410 1 ATOM 1221 C C . ASN 31 191 ? B 1.366 -46.141 22.253 1.000 2 B 33.410 1 ATOM 1222 O O . ASN 31 191 ? B 0.328 -45.607 22.647 1.000 2 B 33.410 1 ATOM 1223 C CB . ASN 31 191 ? B 2.092 -47.625 24.140 1.000 2 B 33.410 1 ATOM 1224 C CG . ASN 31 191 ? B 3.278 -48.470 24.563 1.000 2 B 33.410 1 ATOM 1225 O OD1 . ASN 31 191 ? B 4.306 -47.944 24.997 1.000 2 B 33.410 1 ATOM 1226 N ND2 . ASN 31 191 ? B 3.143 -49.785 24.441 1.000 2 B 33.410 1 ATOM 1227 N N . SER 32 192 ? B 1.598 -45.950 20.995 1.000 2 B 42.933 1 ATOM 1228 C CA . SER 32 192 ? B 0.789 -46.505 19.915 1.000 2 B 42.933 1 ATOM 1229 C C . SER 32 192 ? B 1.660 -46.965 18.752 1.000 2 B 42.933 1 ATOM 1230 O O . SER 32 192 ? B 2.494 -46.205 18.255 1.000 2 B 42.933 1 ATOM 1231 C CB . SER 32 192 ? B -0.229 -45.474 19.424 1.000 2 B 42.933 1 ATOM 1232 O OG . SER 32 192 ? B -1.050 -46.023 18.407 1.000 2 B 42.933 1 ATOM 1233 N N . SER 33 193 ? B 2.176 -48.146 18.795 1.000 2 B 39.515 1 ATOM 1234 C CA . SER 33 193 ? B 2.319 -49.384 18.036 1.000 2 B 39.515 1 ATOM 1235 C C . SER 33 193 ? B 1.644 -49.277 16.672 1.000 2 B 39.515 1 ATOM 1236 O O . SER 33 193 ? B 0.458 -48.954 16.585 1.000 2 B 39.515 1 ATOM 1237 C CB . SER 33 193 ? B 1.731 -50.562 18.814 1.000 2 B 39.515 1 ATOM 1238 O OG . SER 33 193 ? B 1.913 -50.384 20.208 1.000 2 B 39.515 1 ATOM 1239 N N . HIS 34 194 ? B 2.351 -48.982 15.627 1.000 2 B 45.535 1 ATOM 1240 C CA . HIS 34 194 ? B 2.217 -49.689 14.359 1.000 2 B 45.535 1 ATOM 1241 C C . HIS 34 194 ? B 3.484 -49.561 13.520 1.000 2 B 45.535 1 ATOM 1242 O O . HIS 34 194 ? B 3.992 -48.455 13.320 1.000 2 B 45.535 1 ATOM 1243 C CB . HIS 34 194 ? B 1.013 -49.162 13.576 1.000 2 B 45.535 1 ATOM 1244 C CG . HIS 34 194 ? B -0.271 -49.852 13.913 1.000 2 B 45.535 1 ATOM 1245 N ND1 . HIS 34 194 ? B -0.831 -49.809 15.171 1.000 2 B 45.535 1 ATOM 1246 C CD2 . HIS 34 194 ? B -1.104 -50.601 13.152 1.000 2 B 45.535 1 ATOM 1247 C CE1 . HIS 34 194 ? B -1.956 -50.504 15.169 1.000 2 B 45.535 1 ATOM 1248 N NE2 . HIS 34 194 ? B -2.145 -50.994 13.956 1.000 2 B 45.535 1 ATOM 1249 N N . SER 35 195 ? B 4.380 -50.427 13.602 1.000 2 B 39.878 1 ATOM 1250 C CA . SER 35 195 ? B 5.118 -51.427 12.837 1.000 2 B 39.878 1 ATOM 1251 C C . SER 35 195 ? B 5.108 -51.102 11.347 1.000 2 B 39.878 1 ATOM 1252 O O . SER 35 195 ? B 4.070 -50.732 10.795 1.000 2 B 39.878 1 ATOM 1253 C CB . SER 35 195 ? B 4.531 -52.820 13.067 1.000 2 B 39.878 1 ATOM 1254 O OG . SER 35 195 ? B 4.670 -53.207 14.424 1.000 2 B 39.878 1 ATOM 1255 N N . ARG 36 196 ? B 6.230 -50.846 10.721 1.000 2 B 33.871 1 ATOM 1256 C CA . ARG 36 196 ? B 7.198 -51.254 9.708 1.000 2 B 33.871 1 ATOM 1257 C C . ARG 36 196 ? B 6.510 -51.546 8.379 1.000 2 B 33.871 1 ATOM 1258 O O . ARG 36 196 ? B 5.546 -52.313 8.328 1.000 2 B 33.871 1 ATOM 1259 C CB . ARG 36 196 ? B 7.978 -52.485 10.175 1.000 2 B 33.871 1 ATOM 1260 C CG . ARG 36 196 ? B 8.853 -52.234 11.393 1.000 2 B 33.871 1 ATOM 1261 C CD . ARG 36 196 ? B 9.664 -53.467 11.768 1.000 2 B 33.871 1 ATOM 1262 N NE . ARG 36 196 ? B 10.791 -53.128 12.633 1.000 2 B 33.871 1 ATOM 1263 C CZ . ARG 36 196 ? B 11.663 -54.006 13.120 1.000 2 B 33.871 1 ATOM 1264 N NH1 . ARG 36 196 ? B 11.556 -55.298 12.835 1.000 2 B 33.871 1 ATOM 1265 N NH2 . ARG 36 196 ? B 12.652 -53.588 13.898 1.000 2 B 33.871 1 ATOM 1266 N N . SER 37 197 ? B 6.866 -50.785 7.370 1.000 2 B 46.639 1 ATOM 1267 C CA . SER 37 197 ? B 7.116 -51.347 6.047 1.000 2 B 46.639 1 ATOM 1268 C C . SER 37 197 ? B 8.037 -50.447 5.229 1.000 2 B 46.639 1 ATOM 1269 O O . SER 37 197 ? B 7.879 -49.224 5.230 1.000 2 B 46.639 1 ATOM 1270 C CB . SER 37 197 ? B 5.800 -51.559 5.297 1.000 2 B 46.639 1 ATOM 1271 O OG . SER 37 197 ? B 5.271 -50.323 4.849 1.000 2 B 46.639 1 ATOM 1272 N N . HIS 38 198 ? B 9.333 -50.694 5.126 1.000 2 B 37.770 1 ATOM 1273 C CA . HIS 38 198 ? B 10.339 -51.076 4.142 1.000 2 B 37.770 1 ATOM 1274 C C . HIS 38 198 ? B 9.725 -51.218 2.753 1.000 2 B 37.770 1 ATOM 1275 O O . HIS 38 198 ? B 8.687 -51.862 2.591 1.000 2 B 37.770 1 ATOM 1276 C CB . HIS 38 198 ? B 11.019 -52.384 4.551 1.000 2 B 37.770 1 ATOM 1277 C CG . HIS 38 198 ? B 12.202 -52.191 5.445 1.000 2 B 37.770 1 ATOM 1278 N ND1 . HIS 38 198 ? B 13.405 -51.695 4.991 1.000 2 B 37.770 1 ATOM 1279 C CD2 . HIS 38 198 ? B 12.364 -52.426 6.769 1.000 2 B 37.770 1 ATOM 1280 C CE1 . HIS 38 198 ? B 14.258 -51.633 6.000 1.000 2 B 37.770 1 ATOM 1281 N NE2 . HIS 38 198 ? B 13.651 -52.071 7.090 1.000 2 B 37.770 1 ATOM 1282 N N . GLY 39 199 ? B 10.071 -50.350 1.784 1.000 2 B 36.575 1 ATOM 1283 C CA . GLY 39 199 ? B 10.526 -50.738 0.458 1.000 2 B 36.575 1 ATOM 1284 C C . GLY 39 199 ? B 9.873 -49.940 -0.655 1.000 2 B 36.575 1 ATOM 1285 O O . GLY 39 199 ? B 8.680 -49.635 -0.588 1.000 2 B 36.575 1 ATOM 1286 N N . ASN 40 200 ? B 10.602 -49.059 -1.350 1.000 2 B 35.919 1 ATOM 1287 C CA . ASN 40 200 ? B 10.947 -49.193 -2.761 1.000 2 B 35.919 1 ATOM 1288 C C . ASN 40 200 ? B 10.510 -47.971 -3.564 1.000 2 B 35.919 1 ATOM 1289 O O . ASN 40 200 ? B 9.366 -47.527 -3.452 1.000 2 B 35.919 1 ATOM 1290 C CB . ASN 40 200 ? B 10.328 -50.463 -3.347 1.000 2 B 35.919 1 ATOM 1291 C CG . ASN 40 200 ? B 11.360 -51.386 -3.964 1.000 2 B 35.919 1 ATOM 1292 O OD1 . ASN 40 200 ? B 12.315 -51.801 -3.302 1.000 2 B 35.919 1 ATOM 1293 N ND2 . ASN 40 200 ? B 11.176 -51.714 -5.238 1.000 2 B 35.919 1 ATOM 1294 N N . ASP 41 201 ? B 11.433 -47.126 -3.946 1.000 2 B 34.728 1 ATOM 1295 C CA . ASP 41 201 ? B 12.098 -46.690 -5.170 1.000 2 B 34.728 1 ATOM 1296 C C . ASP 41 201 ? B 11.400 -47.255 -6.405 1.000 2 B 34.728 1 ATOM 1297 O O . ASP 41 201 ? B 11.189 -48.465 -6.506 1.000 2 B 34.728 1 ATOM 1298 C CB . ASP 41 201 ? B 13.570 -47.108 -5.160 1.000 2 B 34.728 1 ATOM 1299 C CG . ASP 41 201 ? B 14.517 -45.939 -4.955 1.000 2 B 34.728 1 ATOM 1300 O OD1 . ASP 41 201 ? B 14.483 -44.979 -5.755 1.000 2 B 34.728 1 ATOM 1301 O OD2 . ASP 41 201 ? B 15.306 -45.980 -3.987 1.000 2 B 34.728 1 ATOM 1302 N N . HIS 42 202 ? B 10.565 -46.385 -7.185 1.000 2 B 39.266 1 ATOM 1303 C CA . HIS 42 202 ? B 10.433 -46.281 -8.634 1.000 2 B 39.266 1 ATOM 1304 C C . HIS 42 202 ? B 9.236 -45.418 -9.017 1.000 2 B 39.266 1 ATOM 1305 O O . HIS 42 202 ? B 8.145 -45.580 -8.464 1.000 2 B 39.266 1 ATOM 1306 C CB . HIS 42 202 ? B 10.300 -47.671 -9.260 1.000 2 B 39.266 1 ATOM 1307 C CG . HIS 42 202 ? B 11.612 -48.340 -9.518 1.000 2 B 39.266 1 ATOM 1308 N ND1 . HIS 42 202 ? B 12.637 -47.729 -10.207 1.000 2 B 39.266 1 ATOM 1309 C CD2 . HIS 42 202 ? B 12.066 -49.569 -9.174 1.000 2 B 39.266 1 ATOM 1310 C CE1 . HIS 42 202 ? B 13.667 -48.556 -10.278 1.000 2 B 39.266 1 ATOM 1311 N NE2 . HIS 42 202 ? B 13.346 -49.679 -9.658 1.000 2 B 39.266 1 ATOM 1312 N N . HIS 43 203 ? B 9.336 -44.121 -9.454 1.000 2 B 37.904 1 ATOM 1313 C CA . HIS 43 203 ? B 9.058 -43.453 -10.720 1.000 2 B 37.904 1 ATOM 1314 C C . HIS 43 203 ? B 7.564 -43.454 -11.026 1.000 2 B 37.904 1 ATOM 1315 O O . HIS 43 203 ? B 6.903 -44.489 -10.916 1.000 2 B 37.904 1 ATOM 1316 C CB . HIS 43 203 ? B 9.827 -44.124 -11.860 1.000 2 B 37.904 1 ATOM 1317 C CG . HIS 43 203 ? B 11.309 -43.940 -11.773 1.000 2 B 37.904 1 ATOM 1318 N ND1 . HIS 43 203 ? B 11.911 -42.703 -11.857 1.000 2 B 37.904 1 ATOM 1319 C CD2 . HIS 43 203 ? B 12.308 -44.838 -11.607 1.000 2 B 37.904 1 ATOM 1320 C CE1 . HIS 43 203 ? B 13.221 -42.850 -11.747 1.000 2 B 37.904 1 ATOM 1321 N NE2 . HIS 43 203 ? B 13.488 -44.135 -11.594 1.000 2 B 37.904 1 ATOM 1322 N N . SER 44 204 ? B 6.802 -42.265 -10.904 1.000 2 B 38.254 1 ATOM 1323 C CA . SER 44 204 ? B 6.052 -41.623 -11.978 1.000 2 B 38.254 1 ATOM 1324 C C . SER 44 204 ? B 4.554 -41.862 -11.827 1.000 2 B 38.254 1 ATOM 1325 O O . SER 44 204 ? B 4.124 -42.985 -11.555 1.000 2 B 38.254 1 ATOM 1326 C CB . SER 44 204 ? B 6.524 -42.133 -13.340 1.000 2 B 38.254 1 ATOM 1327 O OG . SER 44 204 ? B 6.520 -43.550 -13.375 1.000 2 B 38.254 1 ATOM 1328 N N . LYS 45 205 ? B 3.773 -40.830 -11.340 1.000 2 B 37.626 1 ATOM 1329 C CA . LYS 45 205 ? B 2.605 -40.227 -11.974 1.000 2 B 37.626 1 ATOM 1330 C C . LYS 45 205 ? B 1.349 -40.447 -11.136 1.000 2 B 37.626 1 ATOM 1331 O O . LYS 45 205 ? B 1.049 -41.576 -10.741 1.000 2 B 37.626 1 ATOM 1332 C CB . LYS 45 205 ? B 2.403 -40.797 -13.379 1.000 2 B 37.626 1 ATOM 1333 C CG . LYS 45 205 ? B 3.188 -40.069 -14.461 1.000 2 B 37.626 1 ATOM 1334 C CD . LYS 45 205 ? B 2.629 -40.360 -15.848 1.000 2 B 37.626 1 ATOM 1335 C CE . LYS 45 205 ? B 3.258 -39.461 -16.905 1.000 2 B 37.626 1 ATOM 1336 N NZ . LYS 45 205 ? B 2.802 -39.822 -18.281 1.000 2 B 37.626 1 ATOM 1337 N N . GLU 46 206 ? B 0.961 -39.549 -10.208 1.000 2 B 36.534 1 ATOM 1338 C CA . GLU 46 206 ? B -0.387 -38.993 -10.129 1.000 2 B 36.534 1 ATOM 1339 C C . GLU 46 206 ? B -1.106 -39.466 -8.869 1.000 2 B 36.534 1 ATOM 1340 O O . GLU 46 206 ? B -1.307 -40.668 -8.677 1.000 2 B 36.534 1 ATOM 1341 C CB . GLU 46 206 ? B -1.198 -39.370 -11.371 1.000 2 B 36.534 1 ATOM 1342 C CG . GLU 46 206 ? B -2.516 -38.620 -11.496 1.000 2 B 36.534 1 ATOM 1343 C CD . GLU 46 206 ? B -2.714 -37.978 -12.860 1.000 2 B 36.534 1 ATOM 1344 O OE1 . GLU 46 206 ? B -3.853 -37.567 -13.178 1.000 2 B 36.534 1 ATOM 1345 O OE2 . GLU 46 206 ? B -1.723 -37.887 -13.618 1.000 2 B 36.534 1 ATOM 1346 N N . HIS 47 207 ? B -0.864 -38.982 -7.686 1.000 2 B 37.169 1 ATOM 1347 C CA . HIS 47 207 ? B -1.690 -39.208 -6.505 1.000 2 B 37.169 1 ATOM 1348 C C . HIS 47 207 ? B -2.496 -37.963 -6.150 1.000 2 B 37.169 1 ATOM 1349 O O . HIS 47 207 ? B -1.932 -36.878 -5.993 1.000 2 B 37.169 1 ATOM 1350 C CB . HIS 47 207 ? B -0.823 -39.629 -5.317 1.000 2 B 37.169 1 ATOM 1351 C CG . HIS 47 207 ? B -0.415 -41.068 -5.352 1.000 2 B 37.169 1 ATOM 1352 N ND1 . HIS 47 207 ? B -1.323 -42.096 -5.489 1.000 2 B 37.169 1 ATOM 1353 C CD2 . HIS 47 207 ? B 0.806 -41.648 -5.271 1.000 2 B 37.169 1 ATOM 1354 C CE1 . HIS 47 207 ? B -0.676 -43.249 -5.489 1.000 2 B 37.169 1 ATOM 1355 N NE2 . HIS 47 207 ? B 0.617 -43.005 -5.359 1.000 2 B 37.169 1 ATOM 1356 N N . GLN 48 208 ? B -3.659 -37.918 -6.621 1.000 2 B 33.195 1 ATOM 1357 C CA . GLN 48 208 ? B -4.983 -38.007 -6.015 1.000 2 B 33.195 1 ATOM 1358 C C . GLN 48 208 ? B -4.885 -38.195 -4.504 1.000 2 B 33.195 1 ATOM 1359 O O . GLN 48 208 ? B -4.218 -39.116 -4.030 1.000 2 B 33.195 1 ATOM 1360 C CB . GLN 48 208 ? B -5.783 -39.153 -6.637 1.000 2 B 33.195 1 ATOM 1361 C CG . GLN 48 208 ? B -6.267 -38.869 -8.052 1.000 2 B 33.195 1 ATOM 1362 C CD . GLN 48 208 ? B -7.780 -38.852 -8.162 1.000 2 B 33.195 1 ATOM 1363 O OE1 . GLN 48 208 ? B -8.489 -39.187 -7.207 1.000 2 B 33.195 1 ATOM 1364 N NE2 . GLN 48 208 ? B -8.286 -38.464 -9.328 1.000 2 B 33.195 1 ATOM 1365 N N . ARG 49 209 ? B -4.924 -37.200 -3.708 1.000 2 B 36.716 1 ATOM 1366 C CA . ARG 49 209 ? B -5.869 -36.996 -2.614 1.000 2 B 36.716 1 ATOM 1367 C C . ARG 49 209 ? B -5.145 -36.898 -1.276 1.000 2 B 36.716 1 ATOM 1368 O O . ARG 49 209 ? B -4.508 -37.858 -0.837 1.000 2 B 36.716 1 ATOM 1369 C CB . ARG 49 209 ? B -6.896 -38.130 -2.572 1.000 2 B 36.716 1 ATOM 1370 C CG . ARG 49 209 ? B -8.174 -37.776 -1.829 1.000 2 B 36.716 1 ATOM 1371 C CD . ARG 49 209 ? B -9.211 -38.886 -1.930 1.000 2 B 36.716 1 ATOM 1372 N NE . ARG 49 209 ? B -10.005 -38.995 -0.709 1.000 2 B 36.716 1 ATOM 1373 C CZ . ARG 49 209 ? B -11.333 -38.939 -0.661 1.000 2 B 36.716 1 ATOM 1374 N NH1 . ARG 49 209 ? B -12.045 -38.772 -1.769 1.000 2 B 36.716 1 ATOM 1375 N NH2 . ARG 49 209 ? B -11.953 -39.049 0.505 1.000 2 B 36.716 1 ATOM 1376 N N . SER 50 210 ? B -4.706 -35.761 -0.802 1.000 2 B 39.792 1 ATOM 1377 C CA . SER 50 210 ? B -4.745 -35.511 0.635 1.000 2 B 39.792 1 ATOM 1378 C C . SER 50 210 ? B -5.599 -34.290 0.961 1.000 2 B 39.792 1 ATOM 1379 O O . SER 50 210 ? B -5.432 -33.230 0.354 1.000 2 B 39.792 1 ATOM 1380 C CB . SER 50 210 ? B -3.332 -35.317 1.184 1.000 2 B 39.792 1 ATOM 1381 O OG . SER 50 210 ? B -2.371 -35.897 0.318 1.000 2 B 39.792 1 ATOM 1382 N N . LYS 51 211 ? B -6.966 -34.351 1.015 1.000 2 B 37.364 1 ATOM 1383 C CA . LYS 51 211 ? B -8.021 -33.886 1.910 1.000 2 B 37.364 1 ATOM 1384 C C . LYS 51 211 ? B -7.459 -32.974 2.996 1.000 2 B 37.364 1 ATOM 1385 O O . LYS 51 211 ? B -6.684 -33.416 3.846 1.000 2 B 37.364 1 ATOM 1386 C CB . LYS 51 211 ? B -8.747 -35.073 2.546 1.000 2 B 37.364 1 ATOM 1387 C CG . LYS 51 211 ? B -9.467 -35.966 1.547 1.000 2 B 37.364 1 ATOM 1388 C CD . LYS 51 211 ? B -10.311 -37.022 2.248 1.000 2 B 37.364 1 ATOM 1389 C CE . LYS 51 211 ? B -11.106 -37.856 1.253 1.000 2 B 37.364 1 ATOM 1390 N NZ . LYS 51 211 ? B -11.922 -38.905 1.935 1.000 2 B 37.364 1 ATOM 1391 N N . SER 52 212 ? B -7.385 -31.681 2.797 1.000 2 B 40.045 1 ATOM 1392 C CA . SER 52 212 ? B -7.579 -30.649 3.810 1.000 2 B 40.045 1 ATOM 1393 C C . SER 52 212 ? B -8.878 -29.884 3.577 1.000 2 B 40.045 1 ATOM 1394 O O . SER 52 212 ? B -9.156 -29.448 2.457 1.000 2 B 40.045 1 ATOM 1395 C CB . SER 52 212 ? B -6.399 -29.676 3.818 1.000 2 B 40.045 1 ATOM 1396 O OG . SER 52 212 ? B -6.571 -28.685 4.816 1.000 2 B 40.045 1 ATOM 1397 N N . PRO 53 213 ? B -10.011 -30.094 4.359 1.000 2 B 49.652 1 ATOM 1398 C CA . PRO 53 213 ? B -11.253 -29.319 4.318 1.000 2 B 49.652 1 ATOM 1399 C C . PRO 53 213 ? B -11.141 -27.984 5.051 1.000 2 B 49.652 1 ATOM 1400 O O . PRO 53 213 ? B -10.765 -27.951 6.226 1.000 2 B 49.652 1 ATOM 1401 C CB . PRO 53 213 ? B -12.265 -30.238 5.007 1.000 2 B 49.652 1 ATOM 1402 C CG . PRO 53 213 ? B -11.568 -31.555 5.124 1.000 2 B 49.652 1 ATOM 1403 C CD . PRO 53 213 ? B -10.087 -31.310 5.151 1.000 2 B 49.652 1 ATOM 1404 N N . ARG 54 214 ? B -10.495 -26.939 4.433 1.000 2 B 42.035 1 ATOM 1405 C CA . ARG 54 214 ? B -10.751 -25.638 5.041 1.000 2 B 42.035 1 ATOM 1406 C C . ARG 54 214 ? B -11.432 -24.696 4.054 1.000 2 B 42.035 1 ATOM 1407 O O . ARG 54 214 ? B -11.045 -24.627 2.886 1.000 2 B 42.035 1 ATOM 1408 C CB . ARG 54 214 ? B -9.448 -25.014 5.546 1.000 2 B 42.035 1 ATOM 1409 C CG . ARG 54 214 ? B -9.634 -24.067 6.721 1.000 2 B 42.035 1 ATOM 1410 C CD . ARG 54 214 ? B -8.372 -23.962 7.566 1.000 2 B 42.035 1 ATOM 1411 N NE . ARG 54 214 ? B -8.508 -22.956 8.615 1.000 2 B 42.035 1 ATOM 1412 C CZ . ARG 54 214 ? B -8.478 -23.213 9.920 1.000 2 B 42.035 1 ATOM 1413 N NH1 . ARG 54 214 ? B -8.316 -24.455 10.363 1.000 2 B 42.035 1 ATOM 1414 N NH2 . ARG 54 214 ? B -8.612 -22.222 10.789 1.000 2 B 42.035 1 ATOM 1415 N N . ASP 55 215 ? B -12.746 -24.775 3.847 1.000 2 B 39.569 1 ATOM 1416 C CA . ASP 55 215 ? B -13.763 -23.747 3.649 1.000 2 B 39.569 1 ATOM 1417 C C . ASP 55 215 ? B -13.271 -22.665 2.691 1.000 2 B 39.569 1 ATOM 1418 O O . ASP 55 215 ? B -12.211 -22.073 2.906 1.000 2 B 39.569 1 ATOM 1419 C CB . ASP 55 215 ? B -14.162 -23.122 4.987 1.000 2 B 39.569 1 ATOM 1420 C CG . ASP 55 215 ? B -15.664 -23.108 5.211 1.000 2 B 39.569 1 ATOM 1421 O OD1 . ASP 55 215 ? B -16.411 -22.664 4.311 1.000 2 B 39.569 1 ATOM 1422 O OD2 . ASP 55 215 ? B -16.105 -23.542 6.297 1.000 2 B 39.569 1 ATOM 1423 N N . PRO 56 216 ? B -13.636 -22.647 1.363 1.000 2 B 45.928 1 ATOM 1424 C CA . PRO 56 216 ? B -13.308 -21.560 0.437 1.000 2 B 45.928 1 ATOM 1425 C C . PRO 56 216 ? B -14.025 -20.257 0.779 1.000 2 B 45.928 1 ATOM 1426 O O . PRO 56 216 ? B -15.242 -20.253 0.984 1.000 2 B 45.928 1 ATOM 1427 C CB . PRO 56 216 ? B -13.772 -22.100 -0.918 1.000 2 B 45.928 1 ATOM 1428 C CG . PRO 56 216 ? B -14.358 -23.441 -0.615 1.000 2 B 45.928 1 ATOM 1429 C CD . PRO 56 216 ? B -14.362 -23.634 0.874 1.000 2 B 45.928 1 ATOM 1430 N N . ASP 57 217 ? B -13.730 -19.636 1.864 1.000 2 B 40.999 1 ATOM 1431 C CA . ASP 57 217 ? B -14.175 -18.257 2.039 1.000 2 B 40.999 1 ATOM 1432 C C . ASP 57 217 ? B -13.961 -17.445 0.764 1.000 2 B 40.999 1 ATOM 1433 O O . ASP 57 217 ? B -12.885 -17.492 0.165 1.000 2 B 40.999 1 ATOM 1434 C CB . ASP 57 217 ? B -13.441 -17.601 3.210 1.000 2 B 40.999 1 ATOM 1435 C CG . ASP 57 217 ? B -14.270 -17.561 4.482 1.000 2 B 40.999 1 ATOM 1436 O OD1 . ASP 57 217 ? B -15.509 -17.413 4.398 1.000 2 B 40.999 1 ATOM 1437 O OD2 . ASP 57 217 ? B -13.680 -17.675 5.577 1.000 2 B 40.999 1 ATOM 1438 N N . ALA 58 218 ? B -14.793 -17.526 -0.275 1.000 2 B 44.918 1 ATOM 1439 C CA . ALA 58 218 ? B -15.731 -16.532 -0.789 1.000 2 B 44.918 1 ATOM 1440 C C . ALA 58 218 ? B -15.000 -15.275 -1.252 1.000 2 B 44.918 1 ATOM 1441 O O . ALA 58 218 ? B -14.200 -14.705 -0.507 1.000 2 B 44.918 1 ATOM 1442 C CB . ALA 58 218 ? B -16.769 -16.179 0.274 1.000 2 B 44.918 1 ATOM 1443 N N . ASN 59 219 ? B -14.437 -15.216 -2.429 1.000 2 B 43.650 1 ATOM 1444 C CA . ASN 59 219 ? B -14.708 -14.515 -3.680 1.000 2 B 43.650 1 ATOM 1445 C C . ASN 59 219 ? B -14.298 -13.047 -3.601 1.000 2 B 43.650 1 ATOM 1446 O O . ASN 59 219 ? B -14.859 -12.283 -2.814 1.000 2 B 43.650 1 ATOM 1447 C CB . ASN 59 219 ? B -16.188 -14.633 -4.051 1.000 2 B 43.650 1 ATOM 1448 C CG . ASN 59 219 ? B -16.528 -13.905 -5.336 1.000 2 B 43.650 1 ATOM 1449 O OD1 . ASN 59 219 ? B -16.202 -12.726 -5.500 1.000 2 B 43.650 1 ATOM 1450 N ND2 . ASN 59 219 ? B -17.184 -14.601 -6.257 1.000 2 B 43.650 1 ATOM 1451 N N . TRP 60 220 ? B -13.070 -12.798 -3.591 1.000 2 B 37.764 1 ATOM 1452 C CA . TRP 60 220 ? B -12.463 -11.495 -3.837 1.000 2 B 37.764 1 ATOM 1453 C C . TRP 60 220 ? B -12.538 -11.130 -5.316 1.000 2 B 37.764 1 ATOM 1454 O O . TRP 60 220 ? B -12.321 -11.980 -6.183 1.000 2 B 37.764 1 ATOM 1455 C CB . TRP 60 220 ? B -11.006 -11.482 -3.368 1.000 2 B 37.764 1 ATOM 1456 C CG . TRP 60 220 ? B -10.844 -11.579 -1.881 1.000 2 B 37.764 1 ATOM 1457 C CD1 . TRP 60 220 ? B -10.432 -12.669 -1.166 1.000 2 B 37.764 1 ATOM 1458 C CD2 . TRP 60 220 ? B -11.096 -10.544 -0.926 1.000 2 B 37.764 1 ATOM 1459 N NE1 . TRP 60 220 ? B -10.412 -12.374 0.177 1.000 2 B 37.764 1 ATOM 1460 C CE2 . TRP 60 220 ? B -10.814 -11.077 0.352 1.000 2 B 37.764 1 ATOM 1461 C CE3 . TRP 60 220 ? B -11.531 -9.216 -1.026 1.000 2 B 37.764 1 ATOM 1462 C CZ2 . TRP 60 220 ? B -10.955 -10.327 1.522 1.000 2 B 37.764 1 ATOM 1463 C CZ3 . TRP 60 220 ? B -11.671 -8.471 0.140 1.000 2 B 37.764 1 ATOM 1464 C CH2 . TRP 60 220 ? B -11.383 -9.031 1.396 1.000 2 B 37.764 1 ATOM 1465 N N . ASP 61 221 ? B -13.792 -10.867 -5.885 1.000 2 B 43.339 1 ATOM 1466 C CA . ASP 61 221 ? B -14.113 -9.953 -6.977 1.000 2 B 43.339 1 ATOM 1467 C C . ASP 61 221 ? B -14.767 -10.694 -8.140 1.000 2 B 43.339 1 ATOM 1468 O O . ASP 61 221 ? B -14.105 -11.455 -8.849 1.000 2 B 43.339 1 ATOM 1469 C CB . ASP 61 221 ? B -12.854 -9.227 -7.457 1.000 2 B 43.339 1 ATOM 1470 C CG . ASP 61 221 ? B -13.161 -7.962 -8.238 1.000 2 B 43.339 1 ATOM 1471 O OD1 . ASP 61 221 ? B -14.204 -7.322 -7.979 1.000 2 B 43.339 1 ATOM 1472 O OD2 . ASP 61 221 ? B -12.354 -7.602 -9.122 1.000 2 B 43.339 1 ATOM 1473 N N . SER 62 222 ? B -15.928 -11.367 -7.927 1.000 2 B 39.063 1 ATOM 1474 C CA . SER 62 222 ? B -16.727 -11.375 -9.148 1.000 2 B 39.063 1 ATOM 1475 C C . SER 62 222 ? B -18.216 -11.474 -8.833 1.000 2 B 39.063 1 ATOM 1476 O O . SER 62 222 ? B -18.657 -12.425 -8.185 1.000 2 B 39.063 1 ATOM 1477 C CB . SER 62 222 ? B -16.311 -12.535 -10.053 1.000 2 B 39.063 1 ATOM 1478 O OG . SER 62 222 ? B -15.120 -12.223 -10.755 1.000 2 B 39.063 1 ATOM 1479 N N . PRO 63 223 ? B -18.951 -10.388 -8.665 1.000 2 B 46.997 1 ATOM 1480 C CA . PRO 63 223 ? B -20.391 -10.643 -8.572 1.000 2 B 46.997 1 ATOM 1481 C C . PRO 63 223 ? B -20.975 -11.207 -9.865 1.000 2 B 46.997 1 ATOM 1482 O O . PRO 63 223 ? B -20.810 -10.612 -10.933 1.000 2 B 46.997 1 ATOM 1483 C CB . PRO 63 223 ? B -20.974 -9.261 -8.266 1.000 2 B 46.997 1 ATOM 1484 C CG . PRO 63 223 ? B -19.899 -8.298 -8.653 1.000 2 B 46.997 1 ATOM 1485 C CD . PRO 63 223 ? B -18.734 -9.076 -9.194 1.000 2 B 46.997 1 ATOM 1486 N N . SER 64 224 ? B -20.617 -12.483 -10.193 1.000 2 B 46.157 1 ATOM 1487 C CA . SER 64 224 ? B -21.642 -13.113 -11.018 1.000 2 B 46.157 1 ATOM 1488 C C . SER 64 224 ? B -21.273 -14.554 -11.353 1.000 2 B 46.157 1 ATOM 1489 O O . SER 64 224 ? B -21.259 -14.941 -12.523 1.000 2 B 46.157 1 ATOM 1490 C CB . SER 64 224 ? B -21.854 -12.319 -12.308 1.000 2 B 46.157 1 ATOM 1491 O OG . SER 64 224 ? B -22.847 -12.929 -13.116 1.000 2 B 46.157 1 ATOM 1492 N N . ARG 65 225 ? B -20.888 -15.379 -10.422 1.000 2 B 43.430 1 ATOM 1493 C CA . ARG 65 225 ? B -20.878 -16.719 -11.001 1.000 2 B 43.430 1 ATOM 1494 C C . ARG 65 225 ? B -21.723 -17.680 -10.171 1.000 2 B 43.430 1 ATOM 1495 O O . ARG 65 225 ? B -21.508 -17.821 -8.966 1.000 2 B 43.430 1 ATOM 1496 C CB . ARG 65 225 ? B -19.446 -17.245 -11.116 1.000 2 B 43.430 1 ATOM 1497 C CG . ARG 65 225 ? B -18.886 -17.202 -12.529 1.000 2 B 43.430 1 ATOM 1498 C CD . ARG 65 225 ? B -17.492 -17.810 -12.601 1.000 2 B 43.430 1 ATOM 1499 N NE . ARG 65 225 ? B -16.751 -17.323 -13.761 1.000 2 B 43.430 1 ATOM 1500 C CZ . ARG 65 225 ? B -15.821 -18.016 -14.413 1.000 2 B 43.430 1 ATOM 1501 N NH1 . ARG 65 225 ? B -15.500 -19.246 -14.030 1.000 2 B 43.430 1 ATOM 1502 N NH2 . ARG 65 225 ? B -15.209 -17.475 -15.456 1.000 2 B 43.430 1 ATOM 1503 N N . VAL 66 226 ? B -23.062 -17.677 -10.163 1.000 2 B 46.459 1 ATOM 1504 C CA . VAL 66 226 ? B -23.971 -18.746 -9.761 1.000 2 B 46.459 1 ATOM 1505 C C . VAL 66 226 ? B -23.507 -20.072 -10.362 1.000 2 B 46.459 1 ATOM 1506 O O . VAL 66 226 ? B -23.146 -20.134 -11.539 1.000 2 B 46.459 1 ATOM 1507 C CB . VAL 66 226 ? B -25.425 -18.447 -10.189 1.000 2 B 46.459 1 ATOM 1508 C CG1 . VAL 66 226 ? B -26.404 -19.357 -9.450 1.000 2 B 46.459 1 ATOM 1509 C CG2 . VAL 66 226 ? B -25.762 -16.978 -9.939 1.000 2 B 46.459 1 ATOM 1510 N N . PRO 67 227 ? B -22.995 -21.045 -9.563 1.000 2 B 38.576 1 ATOM 1511 C CA . PRO 67 227 ? B -22.541 -22.408 -9.846 1.000 2 B 38.576 1 ATOM 1512 C C . PRO 67 227 ? B -23.566 -23.220 -10.636 1.000 2 B 38.576 1 ATOM 1513 O O . PRO 67 227 ? B -24.763 -23.159 -10.346 1.000 2 B 38.576 1 ATOM 1514 C CB . PRO 67 227 ? B -22.329 -23.005 -8.452 1.000 2 B 38.576 1 ATOM 1515 C CG . PRO 67 227 ? B -22.732 -21.921 -7.506 1.000 2 B 38.576 1 ATOM 1516 C CD . PRO 67 227 ? B -23.432 -20.844 -8.285 1.000 2 B 38.576 1 ATOM 1517 N N . PHE 68 228 ? B -23.483 -23.273 -12.006 1.000 2 B 41.182 1 ATOM 1518 C CA . PHE 68 228 ? B -24.260 -24.269 -12.735 1.000 2 B 41.182 1 ATOM 1519 C C . PHE 68 228 ? B -23.518 -25.598 -12.794 1.000 2 B 41.182 1 ATOM 1520 O O . PHE 68 228 ? B -22.292 -25.626 -12.920 1.000 2 B 41.182 1 ATOM 1521 C CB . PHE 68 228 ? B -24.570 -23.778 -14.153 1.000 2 B 41.182 1 ATOM 1522 C CG . PHE 68 228 ? B -25.310 -22.467 -14.193 1.000 2 B 41.182 1 ATOM 1523 C CD1 . PHE 68 228 ? B -26.697 -22.433 -14.115 1.000 2 B 41.182 1 ATOM 1524 C CD2 . PHE 68 228 ? B -24.617 -21.269 -14.308 1.000 2 B 41.182 1 ATOM 1525 C CE1 . PHE 68 228 ? B -27.383 -21.222 -14.152 1.000 2 B 41.182 1 ATOM 1526 C CE2 . PHE 68 228 ? B -25.296 -20.055 -14.346 1.000 2 B 41.182 1 ATOM 1527 C CZ . PHE 68 228 ? B -26.680 -20.033 -14.269 1.000 2 B 41.182 1 ATOM 1528 N N . SER 69 229 ? B -23.951 -26.687 -12.164 1.000 2 B 42.159 1 ATOM 1529 C CA . SER 69 229 ? B -23.987 -28.145 -12.212 1.000 2 B 42.159 1 ATOM 1530 C C . SER 69 229 ? B -23.934 -28.652 -13.650 1.000 2 B 42.159 1 ATOM 1531 O O . SER 69 229 ? B -24.568 -28.080 -14.539 1.000 2 B 42.159 1 ATOM 1532 C CB . SER 69 229 ? B -25.246 -28.674 -11.523 1.000 2 B 42.159 1 ATOM 1533 O OG . SER 69 229 ? B -26.399 -27.999 -11.995 1.000 2 B 42.159 1 ATOM 1534 N N . SER 70 230 ? B -22.774 -29.105 -14.176 1.000 2 B 37.289 1 ATOM 1535 C CA . SER 70 230 ? B -22.189 -30.255 -14.858 1.000 2 B 37.289 1 ATOM 1536 C C . SER 70 230 ? B -23.242 -31.023 -15.650 1.000 2 B 37.289 1 ATOM 1537 O O . SER 70 230 ? B -24.238 -31.481 -15.087 1.000 2 B 37.289 1 ATOM 1538 C CB . SER 70 230 ? B -21.515 -31.189 -13.852 1.000 2 B 37.289 1 ATOM 1539 O OG . SER 70 230 ? B -22.481 -31.863 -13.065 1.000 2 B 37.289 1 ATOM 1540 N N . GLY 71 231 ? B -23.520 -30.705 -16.875 1.000 2 B 38.470 1 ATOM 1541 C CA . GLY 71 231 ? B -24.060 -31.724 -17.762 1.000 2 B 38.470 1 ATOM 1542 C C . GLY 71 231 ? B -23.715 -31.488 -19.220 1.000 2 B 38.470 1 ATOM 1543 O O . GLY 71 231 ? B -23.703 -30.346 -19.684 1.000 2 B 38.470 1 ATOM 1544 N N . GLN 72 232 ? B -22.714 -32.234 -19.831 1.000 2 B 37.120 1 ATOM 1545 C CA . GLN 72 232 ? B -22.501 -33.247 -20.859 1.000 2 B 37.120 1 ATOM 1546 C C . GLN 72 232 ? B -23.368 -32.976 -22.086 1.000 2 B 37.120 1 ATOM 1547 O O . GLN 72 232 ? B -24.576 -32.766 -21.965 1.000 2 B 37.120 1 ATOM 1548 C CB . GLN 72 232 ? B -22.795 -34.643 -20.307 1.000 2 B 37.120 1 ATOM 1549 C CG . GLN 72 232 ? B -21.794 -35.114 -19.262 1.000 2 B 37.120 1 ATOM 1550 C CD . GLN 72 232 ? B -21.777 -36.623 -19.103 1.000 2 B 37.120 1 ATOM 1551 O OE1 . GLN 72 232 ? B -22.826 -37.255 -18.944 1.000 2 B 37.120 1 ATOM 1552 N NE2 . GLN 72 232 ? B -20.586 -37.210 -19.144 1.000 2 B 37.120 1 ATOM 1553 N N . HIS 73 233 ? B -22.844 -32.334 -23.191 1.000 2 B 38.343 1 ATOM 1554 C CA . HIS 73 233 ? B -23.119 -32.822 -24.537 1.000 2 B 38.343 1 ATOM 1555 C C . HIS 73 233 ? B -22.406 -31.977 -25.587 1.000 2 B 38.343 1 ATOM 1556 O O . HIS 73 233 ? B -22.401 -30.746 -25.500 1.000 2 B 38.343 1 ATOM 1557 C CB . HIS 73 233 ? B -24.625 -32.832 -24.806 1.000 2 B 38.343 1 ATOM 1558 C CG . HIS 73 233 ? B -25.374 -33.835 -23.987 1.000 2 B 38.343 1 ATOM 1559 N ND1 . HIS 73 233 ? B -25.423 -35.173 -24.312 1.000 2 B 38.343 1 ATOM 1560 C CD2 . HIS 73 233 ? B -26.102 -33.692 -22.855 1.000 2 B 38.343 1 ATOM 1561 C CE1 . HIS 73 233 ? B -26.152 -35.812 -23.412 1.000 2 B 38.343 1 ATOM 1562 N NE2 . HIS 73 233 ? B -26.575 -34.936 -22.517 1.000 2 B 38.343 1 ATOM 1563 N N . SER 74 234 ? B -21.468 -32.582 -26.346 1.000 2 B 38.527 1 ATOM 1564 C CA . SER 74 234 ? B -21.393 -33.263 -27.634 1.000 2 B 38.527 1 ATOM 1565 C C . SER 74 234 ? B -21.356 -32.264 -28.786 1.000 2 B 38.527 1 ATOM 1566 O O . SER 74 234 ? B -22.171 -31.342 -28.841 1.000 2 B 38.527 1 ATOM 1567 C CB . SER 74 234 ? B -22.580 -34.212 -27.809 1.000 2 B 38.527 1 ATOM 1568 O OG . SER 74 234 ? B -22.145 -35.482 -28.262 1.000 2 B 38.527 1 ATOM 1569 N N . THR 75 235 ? B -20.172 -32.078 -29.427 1.000 2 B 32.087 1 ATOM 1570 C CA . THR 75 235 ? B -19.601 -32.282 -30.754 1.000 2 B 32.087 1 ATOM 1571 C C . THR 75 235 ? B -20.427 -31.560 -31.814 1.000 2 B 32.087 1 ATOM 1572 O O . THR 75 235 ? B -21.659 -31.595 -31.780 1.000 2 B 32.087 1 ATOM 1573 C CB . THR 75 235 ? B -19.512 -33.780 -31.100 1.000 2 B 32.087 1 ATOM 1574 O OG1 . THR 75 235 ? B -20.825 -34.353 -31.054 1.000 2 B 32.087 1 ATOM 1575 C CG2 . THR 75 235 ? B -18.612 -34.519 -30.116 1.000 2 B 32.087 1 ATOM 1576 N N . GLN 76 236 ? B -19.839 -30.534 -32.541 1.000 2 B 36.424 1 ATOM 1577 C CA . GLN 76 236 ? B -19.714 -30.588 -33.994 1.000 2 B 36.424 1 ATOM 1578 C C . GLN 76 236 ? B -20.059 -29.242 -34.626 1.000 2 B 36.424 1 ATOM 1579 O O . GLN 76 236 ? B -21.092 -28.649 -34.310 1.000 2 B 36.424 1 ATOM 1580 C CB . GLN 76 236 ? B -20.611 -31.684 -34.570 1.000 2 B 36.424 1 ATOM 1581 C CG . GLN 76 236 ? B -19.926 -33.039 -34.689 1.000 2 B 36.424 1 ATOM 1582 C CD . GLN 76 236 ? B -19.642 -33.429 -36.127 1.000 2 B 36.424 1 ATOM 1583 O OE1 . GLN 76 236 ? B -19.195 -32.605 -36.931 1.000 2 B 36.424 1 ATOM 1584 N NE2 . GLN 76 236 ? B -19.901 -34.688 -36.463 1.000 2 B 36.424 1 ATOM 1585 N N . SER 77 237 ? B -19.059 -28.576 -35.312 1.000 2 B 32.878 1 ATOM 1586 C CA . SER 77 237 ? B -18.735 -28.307 -36.710 1.000 2 B 32.878 1 ATOM 1587 C C . SER 77 237 ? B -19.176 -26.905 -37.119 1.000 2 B 32.878 1 ATOM 1588 O O . SER 77 237 ? B -20.300 -26.492 -36.828 1.000 2 B 32.878 1 ATOM 1589 C CB . SER 77 237 ? B -19.394 -29.344 -37.621 1.000 2 B 32.878 1 ATOM 1590 O OG . SER 77 237 ? B -18.634 -29.528 -38.803 1.000 2 B 32.878 1 ATOM 1591 N N . PHE 78 238 ? B -18.137 -26.058 -37.403 1.000 2 B 37.112 1 ATOM 1592 C CA . PHE 78 238 ? B -17.751 -24.869 -38.154 1.000 2 B 37.112 1 ATOM 1593 C C . PHE 78 238 ? B -18.583 -24.738 -39.425 1.000 2 B 37.112 1 ATOM 1594 O O . PHE 78 238 ? B -18.788 -25.719 -40.143 1.000 2 B 37.112 1 ATOM 1595 C CB . PHE 78 238 ? B -16.261 -24.914 -38.505 1.000 2 B 37.112 1 ATOM 1596 C CG . PHE 78 238 ? B -15.352 -24.737 -37.318 1.000 2 B 37.112 1 ATOM 1597 C CD1 . PHE 78 238 ? B -15.098 -23.472 -36.803 1.000 2 B 37.112 1 ATOM 1598 C CD2 . PHE 78 238 ? B -14.753 -25.837 -36.718 1.000 2 B 37.112 1 ATOM 1599 C CE1 . PHE 78 238 ? B -14.257 -23.305 -35.704 1.000 2 B 37.112 1 ATOM 1600 C CE2 . PHE 78 238 ? B -13.912 -25.678 -35.620 1.000 2 B 37.112 1 ATOM 1601 C CZ . PHE 78 238 ? B -13.665 -24.412 -35.116 1.000 2 B 37.112 1 ATOM 1602 N N . PRO 79 239 ? B -19.128 -23.549 -39.616 1.000 2 B 44.010 1 ATOM 1603 C CA . PRO 79 239 ? B -18.948 -23.054 -40.983 1.000 2 B 44.010 1 ATOM 1604 C C . PRO 79 239 ? B -18.555 -21.579 -41.029 1.000 2 B 44.010 1 ATOM 1605 O O . PRO 79 239 ? B -18.673 -20.873 -40.024 1.000 2 B 44.010 1 ATOM 1606 C CB . PRO 79 239 ? B -20.322 -23.273 -41.621 1.000 2 B 44.010 1 ATOM 1607 C CG . PRO 79 239 ? B -21.299 -23.026 -40.518 1.000 2 B 44.010 1 ATOM 1608 C CD . PRO 79 239 ? B -20.538 -22.865 -39.233 1.000 2 B 44.010 1 ATOM 1609 N N . PRO 80 240 ? B -18.172 -21.088 -42.286 1.000 2 B 44.668 1 ATOM 1610 C CA . PRO 80 240 ? B -17.177 -20.269 -42.982 1.000 2 B 44.668 1 ATOM 1611 C C . PRO 80 240 ? B -17.582 -18.799 -43.072 1.000 2 B 44.668 1 ATOM 1612 O O . PRO 80 240 ? B -18.727 -18.450 -42.772 1.000 2 B 44.668 1 ATOM 1613 C CB . PRO 80 240 ? B -17.110 -20.902 -44.374 1.000 2 B 44.668 1 ATOM 1614 C CG . PRO 80 240 ? B -18.509 -21.344 -44.661 1.000 2 B 44.668 1 ATOM 1615 C CD . PRO 80 240 ? B -19.339 -21.130 -43.427 1.000 2 B 44.668 1 ATOM 1616 N N . SER 81 241 ? B -16.561 -17.857 -43.108 1.000 2 B 37.598 1 ATOM 1617 C CA . SER 81 241 ? B -15.969 -16.764 -43.872 1.000 2 B 37.598 1 ATOM 1618 C C . SER 81 241 ? B -17.005 -16.086 -44.762 1.000 2 B 37.598 1 ATOM 1619 O O . SER 81 241 ? B -17.759 -16.759 -45.468 1.000 2 B 37.598 1 ATOM 1620 C CB . SER 81 241 ? B -14.807 -17.275 -44.726 1.000 2 B 37.598 1 ATOM 1621 O OG . SER 81 241 ? B -13.891 -16.230 -45.005 1.000 2 B 37.598 1 ATOM 1622 N N . LEU 82 242 ? B -17.196 -14.749 -44.648 1.000 2 B 45.077 1 ATOM 1623 C CA . LEU 82 242 ? B -17.466 -13.805 -45.727 1.000 2 B 45.077 1 ATOM 1624 C C . LEU 82 242 ? B -17.302 -12.368 -45.246 1.000 2 B 45.077 1 ATOM 1625 O O . LEU 82 242 ? B -17.902 -11.972 -44.244 1.000 2 B 45.077 1 ATOM 1626 C CB . LEU 82 242 ? B -18.879 -14.013 -46.280 1.000 2 B 45.077 1 ATOM 1627 C CG . LEU 82 242 ? B -19.133 -15.331 -47.013 1.000 2 B 45.077 1 ATOM 1628 C CD1 . LEU 82 242 ? B -20.610 -15.463 -47.369 1.000 2 B 45.077 1 ATOM 1629 C CD2 . LEU 82 242 ? B -18.265 -15.424 -48.263 1.000 2 B 45.077 1 ATOM 1630 N N . MET 83 243 ? B -16.164 -11.626 -45.503 1.000 2 B 34.864 1 ATOM 1631 C CA . MET 83 243 ? B -15.853 -10.485 -46.360 1.000 2 B 34.864 1 ATOM 1632 C C . MET 83 243 ? B -16.973 -9.451 -46.318 1.000 2 B 34.864 1 ATOM 1633 O O . MET 83 243 ? B -18.152 -9.806 -46.345 1.000 2 B 34.864 1 ATOM 1634 C CB . MET 83 243 ? B -15.617 -10.943 -47.800 1.000 2 B 34.864 1 ATOM 1635 C CG . MET 83 243 ? B -14.362 -11.781 -47.980 1.000 2 B 34.864 1 ATOM 1636 S SD . MET 83 243 ? B -14.179 -12.416 -49.692 1.000 2 B 34.864 1 ATOM 1637 C CE . MET 83 243 ? B -13.480 -10.951 -50.503 1.000 2 B 34.864 1 ATOM 1638 N N . SER 84 244 ? B -16.677 -8.152 -45.985 1.000 2 B 36.075 1 ATOM 1639 C CA . SER 84 244 ? B -16.877 -6.927 -46.753 1.000 2 B 36.075 1 ATOM 1640 C C . SER 84 244 ? B -17.166 -5.742 -45.838 1.000 2 B 36.075 1 ATOM 1641 O O . SER 84 244 ? B -18.025 -5.825 -44.957 1.000 2 B 36.075 1 ATOM 1642 C CB . SER 84 244 ? B -18.023 -7.102 -47.751 1.000 2 B 36.075 1 ATOM 1643 O OG . SER 84 244 ? B -17.762 -8.181 -48.632 1.000 2 B 36.075 1 ATOM 1644 N N . LYS 85 245 ? B -16.227 -4.821 -45.673 1.000 2 B 37.577 1 ATOM 1645 C CA . LYS 85 245 ? B -16.162 -3.444 -46.153 1.000 2 B 37.577 1 ATOM 1646 C C . LYS 85 245 ? B -16.806 -2.483 -45.157 1.000 2 B 37.577 1 ATOM 1647 O O . LYS 85 245 ? B -17.894 -2.751 -44.643 1.000 2 B 37.577 1 ATOM 1648 C CB . LYS 85 245 ? B -16.844 -3.318 -47.517 1.000 2 B 37.577 1 ATOM 1649 C CG . LYS 85 245 ? B -16.158 -4.102 -48.626 1.000 2 B 37.577 1 ATOM 1650 C CD . LYS 85 245 ? B -16.898 -3.961 -49.950 1.000 2 B 37.577 1 ATOM 1651 C CE . LYS 85 245 ? B -16.014 -4.342 -51.129 1.000 2 B 37.577 1 ATOM 1652 N NZ . LYS 85 245 ? B -16.750 -4.252 -52.426 1.000 2 B 37.577 1 ATOM 1653 N N . SER 86 246 ? B -16.151 -1.420 -44.663 1.000 2 B 31.362 1 ATOM 1654 C CA . SER 86 246 ? B -16.008 0.031 -44.729 1.000 2 B 31.362 1 ATOM 1655 C C . SER 86 246 ? B -17.176 0.734 -44.046 1.000 2 B 31.362 1 ATOM 1656 O O . SER 86 246 ? B -18.336 0.386 -44.275 1.000 2 B 31.362 1 ATOM 1657 C CB . SER 86 246 ? B -15.903 0.493 -46.183 1.000 2 B 31.362 1 ATOM 1658 O OG . SER 86 246 ? B -15.051 -0.363 -46.924 1.000 2 B 31.362 1 ATOM 1659 N N . ASN 87 247 ? B -16.953 1.491 -42.929 1.000 2 B 42.139 1 ATOM 1660 C CA . ASN 87 247 ? B -17.424 2.853 -42.702 1.000 2 B 42.139 1 ATOM 1661 C C . ASN 87 247 ? B -17.483 3.185 -41.213 1.000 2 B 42.139 1 ATOM 1662 O O . ASN 87 247 ? B -17.963 2.381 -40.412 1.000 2 B 42.139 1 ATOM 1663 C CB . ASN 87 247 ? B -18.795 3.062 -43.347 1.000 2 B 42.139 1 ATOM 1664 C CG . ASN 87 247 ? B -18.758 4.060 -44.487 1.000 2 B 42.139 1 ATOM 1665 O OD1 . ASN 87 247 ? B -17.785 4.803 -44.647 1.000 2 B 42.139 1 ATOM 1666 N ND2 . ASN 87 247 ? B -19.816 4.085 -45.289 1.000 2 B 42.139 1 ATOM 1667 N N . SER 88 248 ? B -16.541 4.094 -40.665 1.000 2 B 41.993 1 ATOM 1668 C CA . SER 88 248 ? B -16.495 5.498 -40.269 1.000 2 B 41.993 1 ATOM 1669 C C . SER 88 248 ? B -17.459 5.780 -39.121 1.000 2 B 41.993 1 ATOM 1670 O O . SER 88 248 ? B -18.651 5.481 -39.217 1.000 2 B 41.993 1 ATOM 1671 C CB . SER 88 248 ? B -16.824 6.402 -41.457 1.000 2 B 41.993 1 ATOM 1672 O OG . SER 88 248 ? B -18.226 6.545 -41.607 1.000 2 B 41.993 1 ATOM 1673 N N . MET 89 249 ? B -17.126 5.714 -37.820 1.000 2 B 41.057 1 ATOM 1674 C CA . MET 89 249 ? B -17.263 6.719 -36.770 1.000 2 B 41.057 1 ATOM 1675 C C . MET 89 249 ? B -17.356 6.063 -35.397 1.000 2 B 41.057 1 ATOM 1676 O O . MET 89 249 ? B -18.345 5.396 -35.089 1.000 2 B 41.057 1 ATOM 1677 C CB . MET 89 249 ? B -18.495 7.592 -37.017 1.000 2 B 41.057 1 ATOM 1678 C CG . MET 89 249 ? B -18.345 8.546 -38.190 1.000 2 B 41.057 1 ATOM 1679 S SD . MET 89 249 ? B -19.652 9.834 -38.221 1.000 2 B 41.057 1 ATOM 1680 C CE . MET 89 249 ? B -19.742 10.240 -36.455 1.000 2 B 41.057 1 ATOM 1681 N N . LEU 90 250 ? B -16.395 5.470 -34.853 1.000 2 B 46.819 1 ATOM 1682 C CA . LEU 90 250 ? B -16.117 4.979 -33.508 1.000 2 B 46.819 1 ATOM 1683 C C . LEU 90 250 ? B -16.546 5.998 -32.458 1.000 2 B 46.819 1 ATOM 1684 O O . LEU 90 250 ? B -16.155 7.166 -32.523 1.000 2 B 46.819 1 ATOM 1685 C CB . LEU 90 250 ? B -14.627 4.663 -33.351 1.000 2 B 46.819 1 ATOM 1686 C CG . LEU 90 250 ? B -14.148 3.338 -33.946 1.000 2 B 46.819 1 ATOM 1687 C CD1 . LEU 90 250 ? B -12.655 3.402 -34.250 1.000 2 B 46.819 1 ATOM 1688 C CD2 . LEU 90 250 ? B -14.457 2.184 -32.999 1.000 2 B 46.819 1 ATOM 1689 N N . GLN 91 251 ? B -17.801 5.993 -32.074 1.000 2 B 38.917 1 ATOM 1690 C CA . GLN 91 251 ? B -18.735 6.205 -30.973 1.000 2 B 38.917 1 ATOM 1691 C C . GLN 91 251 ? B -18.019 6.156 -29.627 1.000 2 B 38.917 1 ATOM 1692 O O . GLN 91 251 ? B -17.384 5.154 -29.291 1.000 2 B 38.917 1 ATOM 1693 C CB . GLN 91 251 ? B -19.854 5.163 -31.011 1.000 2 B 38.917 1 ATOM 1694 C CG . GLN 91 251 ? B -21.176 5.699 -31.543 1.000 2 B 38.917 1 ATOM 1695 C CD . GLN 91 251 ? B -22.325 4.727 -31.350 1.000 2 B 38.917 1 ATOM 1696 O OE1 . GLN 91 251 ? B -22.113 3.545 -31.059 1.000 2 B 38.917 1 ATOM 1697 N NE2 . GLN 91 251 ? B -23.550 5.216 -31.510 1.000 2 B 38.917 1 ATOM 1698 N N . LYS 92 252 ? B -17.243 7.186 -29.245 1.000 2 B 45.898 1 ATOM 1699 C CA . LYS 92 252 ? B -16.904 7.464 -27.852 1.000 2 B 45.898 1 ATOM 1700 C C . LYS 92 252 ? B -18.113 7.265 -26.942 1.000 2 B 45.898 1 ATOM 1701 O O . LYS 92 252 ? B -19.221 7.696 -27.271 1.000 2 B 45.898 1 ATOM 1702 C CB . LYS 92 252 ? B -16.365 8.887 -27.704 1.000 2 B 45.898 1 ATOM 1703 C CG . LYS 92 252 ? B -15.055 9.132 -28.439 1.000 2 B 45.898 1 ATOM 1704 C CD . LYS 92 252 ? B -14.597 10.578 -28.297 1.000 2 B 45.898 1 ATOM 1705 C CE . LYS 92 252 ? B -13.308 10.835 -29.066 1.000 2 B 45.898 1 ATOM 1706 N NZ . LYS 92 252 ? B -12.837 12.243 -28.903 1.000 2 B 45.898 1 ATOM 1707 N N . PRO 93 253 ? B -18.222 6.240 -26.086 1.000 2 B 45.870 1 ATOM 1708 C CA . PRO 93 253 ? B -19.284 6.213 -25.077 1.000 2 B 45.870 1 ATOM 1709 C C . PRO 93 253 ? B -19.360 7.504 -24.266 1.000 2 B 45.870 1 ATOM 1710 O O . PRO 93 253 ? B -18.332 8.019 -23.820 1.000 2 B 45.870 1 ATOM 1711 C CB . PRO 93 253 ? B -18.893 5.031 -24.186 1.000 2 B 45.870 1 ATOM 1712 C CG . PRO 93 253 ? B -17.469 4.743 -24.536 1.000 2 B 45.870 1 ATOM 1713 C CD . PRO 93 253 ? B -17.059 5.655 -25.656 1.000 2 B 45.870 1 ATOM 1714 N N . THR 94 254 ? B -19.915 8.584 -24.777 1.000 2 B 49.628 1 ATOM 1715 C CA . THR 94 254 ? B -20.543 9.685 -24.054 1.000 2 B 49.628 1 ATOM 1716 C C . THR 94 254 ? B -21.279 9.171 -22.820 1.000 2 B 49.628 1 ATOM 1717 O O . THR 94 254 ? B -22.077 8.236 -22.911 1.000 2 B 49.628 1 ATOM 1718 C CB . THR 94 254 ? B -21.525 10.457 -24.956 1.000 2 B 49.628 1 ATOM 1719 O OG1 . THR 94 254 ? B -20.858 10.831 -26.168 1.000 2 B 49.628 1 ATOM 1720 C CG2 . THR 94 254 ? B -22.036 11.714 -24.261 1.000 2 B 49.628 1 ATOM 1721 N N . ALA 95 255 ? B -20.657 8.853 -21.676 1.000 2 B 58.776 1 ATOM 1722 C CA . ALA 95 255 ? B -21.209 8.763 -20.326 1.000 2 B 58.776 1 ATOM 1723 C C . ALA 95 255 ? B -22.418 9.680 -20.166 1.000 2 B 58.776 1 ATOM 1724 O O . ALA 95 255 ? B -22.398 10.828 -20.614 1.000 2 B 58.776 1 ATOM 1725 C CB . ALA 95 255 ? B -20.141 9.109 -19.291 1.000 2 B 58.776 1 ATOM 1726 N N . TYR 96 256 ? B -23.603 9.292 -20.557 1.000 2 B 47.725 1 ATOM 1727 C CA . TYR 96 256 ? B -24.952 9.729 -20.214 1.000 2 B 47.725 1 ATOM 1728 C C . TYR 96 256 ? B -24.947 10.567 -18.941 1.000 2 B 47.725 1 ATOM 1729 O O . TYR 96 256 ? B -24.521 10.097 -17.883 1.000 2 B 47.725 1 ATOM 1730 C CB . TYR 96 256 ? B -25.881 8.523 -20.042 1.000 2 B 47.725 1 ATOM 1731 C CG . TYR 96 256 ? B -26.484 8.032 -21.335 1.000 2 B 47.725 1 ATOM 1732 C CD1 . TYR 96 256 ? B -27.718 8.507 -21.776 1.000 2 B 47.725 1 ATOM 1733 C CD2 . TYR 96 256 ? B -25.823 7.092 -22.119 1.000 2 B 47.725 1 ATOM 1734 C CE1 . TYR 96 256 ? B -28.279 8.056 -22.966 1.000 2 B 47.725 1 ATOM 1735 C CE2 . TYR 96 256 ? B -26.375 6.634 -23.311 1.000 2 B 47.725 1 ATOM 1736 C CZ . TYR 96 256 ? B -27.601 7.121 -23.726 1.000 2 B 47.725 1 ATOM 1737 O OH . TYR 96 256 ? B -28.151 6.671 -24.905 1.000 2 B 47.725 1 ATOM 1738 N N . VAL 97 257 ? B -24.514 11.842 -18.942 1.000 2 B 60.844 1 ATOM 1739 C CA . VAL 97 257 ? B -24.877 12.837 -17.938 1.000 2 B 60.844 1 ATOM 1740 C C . VAL 97 257 ? B -26.360 13.181 -18.062 1.000 2 B 60.844 1 ATOM 1741 O O . VAL 97 257 ? B -26.882 13.308 -19.172 1.000 2 B 60.844 1 ATOM 1742 C CB . VAL 97 257 ? B -24.020 14.116 -18.070 1.000 2 B 60.844 1 ATOM 1743 C CG1 . VAL 97 257 ? B -24.562 15.224 -17.170 1.000 2 B 60.844 1 ATOM 1744 C CG2 . VAL 97 257 ? B -22.560 13.816 -17.735 1.000 2 B 60.844 1 ATOM 1745 N N . ARG 98 258 ? B -27.299 12.628 -17.294 1.000 2 B 59.901 1 ATOM 1746 C CA . ARG 98 258 ? B -28.693 12.946 -17.001 1.000 2 B 59.901 1 ATOM 1747 C C . ARG 98 258 ? B -28.945 14.446 -17.105 1.000 2 B 59.901 1 ATOM 1748 O O . ARG 98 258 ? B -28.231 15.245 -16.495 1.000 2 B 59.901 1 ATOM 1749 C CB . ARG 98 258 ? B -29.078 12.445 -15.608 1.000 2 B 59.901 1 ATOM 1750 C CG . ARG 98 258 ? B -29.274 10.940 -15.527 1.000 2 B 59.901 1 ATOM 1751 C CD . ARG 98 258 ? B -29.756 10.507 -14.149 1.000 2 B 59.901 1 ATOM 1752 N NE . ARG 98 258 ? B -29.925 9.059 -14.068 1.000 2 B 59.901 1 ATOM 1753 C CZ . ARG 98 258 ? B -29.766 8.338 -12.961 1.000 2 B 59.901 1 ATOM 1754 N NH1 . ARG 98 258 ? B -29.429 8.920 -11.816 1.000 2 B 59.901 1 ATOM 1755 N NH2 . ARG 98 258 ? B -29.944 7.026 -12.999 1.000 2 B 59.901 1 ATOM 1756 N N . PRO 99 259 ? B -29.550 14.961 -18.193 1.000 2 B 63.109 1 ATOM 1757 C CA . PRO 99 259 ? B -30.013 16.350 -18.229 1.000 2 B 63.109 1 ATOM 1758 C C . PRO 99 259 ? B -30.991 16.675 -17.101 1.000 2 B 63.109 1 ATOM 1759 O O . PRO 99 259 ? B -31.874 15.870 -16.794 1.000 2 B 63.109 1 ATOM 1760 C CB . PRO 99 259 ? B -30.698 16.458 -19.593 1.000 2 B 63.109 1 ATOM 1761 C CG . PRO 99 259 ? B -30.593 15.088 -20.183 1.000 2 B 63.109 1 ATOM 1762 C CD . PRO 99 259 ? B -30.088 14.151 -19.124 1.000 2 B 63.109 1 ATOM 1763 N N . MET 100 260 ? B -30.570 17.062 -15.966 1.000 2 B 46.302 1 ATOM 1764 C CA . MET 100 260 ? B -31.456 17.723 -15.013 1.000 2 B 46.302 1 ATOM 1765 C C . MET 100 260 ? B -32.538 18.517 -15.736 1.000 2 B 46.302 1 ATOM 1766 O O . MET 100 260 ? B -32.246 19.261 -16.674 1.000 2 B 46.302 1 ATOM 1767 C CB . MET 100 260 ? B -30.661 18.645 -14.087 1.000 2 B 46.302 1 ATOM 1768 C CG . MET 100 260 ? B -30.272 18.001 -12.767 1.000 2 B 46.302 1 ATOM 1769 S SD . MET 100 260 ? B -31.638 18.027 -11.542 1.000 2 B 46.302 1 ATOM 1770 C CE . MET 100 260 ? B -30.687 18.168 -10.004 1.000 2 B 46.302 1 ATOM 1771 N N . ASP 101 261 ? B -33.669 17.920 -16.237 1.000 2 B 66.468 1 ATOM 1772 C CA . ASP 101 261 ? B -35.015 18.475 -16.354 1.000 2 B 66.468 1 ATOM 1773 C C . ASP 101 261 ? B -35.177 19.712 -15.474 1.000 2 B 66.468 1 ATOM 1774 O O . ASP 101 261 ? B -34.746 19.720 -14.319 1.000 2 B 66.468 1 ATOM 1775 C CB . ASP 101 261 ? B -36.062 17.424 -15.982 1.000 2 B 66.468 1 ATOM 1776 C CG . ASP 101 261 ? B -36.257 16.372 -17.060 1.000 2 B 66.468 1 ATOM 1777 O OD1 . ASP 101 261 ? B -36.077 16.686 -18.257 1.000 2 B 66.468 1 ATOM 1778 O OD2 . ASP 101 261 ? B -36.596 15.221 -16.711 1.000 2 B 66.468 1 ATOM 1779 N N . GLY 102 262 ? B -34.976 20.967 -15.939 1.000 2 B 41.597 1 ATOM 1780 C CA . GLY 102 262 ? B -35.819 22.128 -16.174 1.000 2 B 41.597 1 ATOM 1781 C C . GLY 102 262 ? B -36.459 22.667 -14.908 1.000 2 B 41.597 1 ATOM 1782 O O . GLY 102 262 ? B -37.236 21.968 -14.254 1.000 2 B 41.597 1 ATOM 1783 N N . GLN 103 263 ? B -35.892 23.615 -14.208 1.000 2 B 43.631 1 ATOM 1784 C CA . GLN 103 263 ? B -36.730 24.707 -13.723 1.000 2 B 43.631 1 ATOM 1785 C C . GLN 103 263 ? B -36.001 26.044 -13.818 1.000 2 B 43.631 1 ATOM 1786 O O . GLN 103 263 ? B -34.864 26.172 -13.357 1.000 2 B 43.631 1 ATOM 1787 C CB . GLN 103 263 ? B -37.166 24.448 -12.280 1.000 2 B 43.631 1 ATOM 1788 C CG . GLN 103 263 ? B -38.674 24.318 -12.107 1.000 2 B 43.631 1 ATOM 1789 C CD . GLN 103 263 ? B -39.145 24.740 -10.728 1.000 2 B 43.631 1 ATOM 1790 O OE1 . GLN 103 263 ? B -38.372 24.734 -9.765 1.000 2 B 43.631 1 ATOM 1791 N NE2 . GLN 103 263 ? B -40.418 25.107 -10.623 1.000 2 B 43.631 1 ATOM 1792 N N . GLU 104 264 ? B -36.011 26.793 -14.945 1.000 2 B 45.561 1 ATOM 1793 C CA . GLU 104 264 ? B -36.242 28.167 -15.379 1.000 2 B 45.561 1 ATOM 1794 C C . GLU 104 264 ? B -36.285 29.123 -14.190 1.000 2 B 45.561 1 ATOM 1795 O O . GLU 104 264 ? B -37.121 28.972 -13.296 1.000 2 B 45.561 1 ATOM 1796 C CB . GLU 104 264 ? B -37.543 28.266 -16.180 1.000 2 B 45.561 1 ATOM 1797 C CG . GLU 104 264 ? B -37.641 27.261 -17.319 1.000 2 B 45.561 1 ATOM 1798 C CD . GLU 104 264 ? B -38.633 27.671 -18.397 1.000 2 B 45.561 1 ATOM 1799 O OE1 . GLU 104 264 ? B -38.272 27.643 -19.596 1.000 2 B 45.561 1 ATOM 1800 O OE2 . GLU 104 264 ? B -39.779 28.024 -18.039 1.000 2 B 45.561 1 ATOM 1801 N N . SER 105 265 ? B -35.239 29.744 -13.708 1.000 2 B 47.901 1 ATOM 1802 C CA . SER 105 265 ? B -35.349 31.063 -13.094 1.000 2 B 47.901 1 ATOM 1803 C C . SER 105 265 ? B -34.318 32.028 -13.669 1.000 2 B 47.901 1 ATOM 1804 O O . SER 105 265 ? B -33.155 31.664 -13.855 1.000 2 B 47.901 1 ATOM 1805 C CB . SER 105 265 ? B -35.179 30.965 -11.578 1.000 2 B 47.901 1 ATOM 1806 O OG . SER 105 265 ? B -35.373 32.229 -10.967 1.000 2 B 47.901 1 ATOM 1807 N N . MET 106 266 ? B -34.646 32.838 -14.706 1.000 2 B 44.400 1 ATOM 1808 C CA . MET 106 266 ? B -34.677 34.247 -15.091 1.000 2 B 44.400 1 ATOM 1809 C C . MET 106 266 ? B -33.337 34.918 -14.808 1.000 2 B 44.400 1 ATOM 1810 O O . MET 106 266 ? B -32.827 34.847 -13.688 1.000 2 B 44.400 1 ATOM 1811 C CB . MET 106 266 ? B -35.797 34.982 -14.352 1.000 2 B 44.400 1 ATOM 1812 C CG . MET 106 266 ? B -37.192 34.517 -14.734 1.000 2 B 44.400 1 ATOM 1813 S SD . MET 106 266 ? B -38.356 35.915 -14.980 1.000 2 B 44.400 1 ATOM 1814 C CE . MET 106 266 ? B -38.260 36.097 -16.783 1.000 2 B 44.400 1 ATOM 1815 N N . GLU 107 267 ? B -32.396 35.002 -15.694 1.000 2 B 31.148 1 ATOM 1816 C CA . GLU 107 267 ? B -31.739 36.151 -16.311 1.000 2 B 31.148 1 ATOM 1817 C C . GLU 107 267 ? B -31.150 37.082 -15.255 1.000 2 B 31.148 1 ATOM 1818 O O . GLU 107 267 ? B -31.821 37.426 -14.279 1.000 2 B 31.148 1 ATOM 1819 C CB . GLU 107 267 ? B -32.720 36.918 -17.201 1.000 2 B 31.148 1 ATOM 1820 C CG . GLU 107 267 ? B -32.050 37.904 -18.147 1.000 2 B 31.148 1 ATOM 1821 C CD . GLU 107 267 ? B -32.959 39.049 -18.563 1.000 2 B 31.148 1 ATOM 1822 O OE1 . GLU 107 267 ? B -32.509 40.217 -18.549 1.000 2 B 31.148 1 ATOM 1823 O OE2 . GLU 107 267 ? B -34.132 38.776 -18.904 1.000 2 B 31.148 1 ATOM 1824 N N . PRO 108 268 ? B -30.061 37.844 -15.614 1.000 2 B 43.678 1 ATOM 1825 C CA . PRO 108 268 ? B -29.485 38.563 -16.752 1.000 2 B 43.678 1 ATOM 1826 C C . PRO 108 268 ? B -27.964 38.447 -16.816 1.000 2 B 43.678 1 ATOM 1827 O O . PRO 108 268 ? B -27.309 38.294 -15.781 1.000 2 B 43.678 1 ATOM 1828 C CB . PRO 108 268 ? B -29.912 40.012 -16.507 1.000 2 B 43.678 1 ATOM 1829 C CG . PRO 108 268 ? B -29.950 40.152 -15.019 1.000 2 B 43.678 1 ATOM 1830 C CD . PRO 108 268 ? B -29.634 38.819 -14.406 1.000 2 B 43.678 1 ATOM 1831 N N . LYS 109 269 ? B -27.317 38.084 -17.934 1.000 2 B 31.951 1 ATOM 1832 C CA . LYS 109 269 ? B -26.485 38.675 -18.978 1.000 2 B 31.951 1 ATOM 1833 C C . LYS 109 269 ? B -25.460 39.637 -18.385 1.000 2 B 31.951 1 ATOM 1834 O O . LYS 109 269 ? B -25.825 40.623 -17.741 1.000 2 B 31.951 1 ATOM 1835 C CB . LYS 109 269 ? B -27.352 39.403 -20.008 1.000 2 B 31.951 1 ATOM 1836 C CG . LYS 109 269 ? B -26.755 39.433 -21.407 1.000 2 B 31.951 1 ATOM 1837 C CD . LYS 109 269 ? B -27.493 38.490 -22.350 1.000 2 B 31.951 1 ATOM 1838 C CE . LYS 109 269 ? B -26.991 38.624 -23.781 1.000 2 B 31.951 1 ATOM 1839 N NZ . LYS 109 269 ? B -27.642 37.635 -24.691 1.000 2 B 31.951 1 ATOM 1840 N N . LEU 110 270 ? B -24.242 39.299 -18.166 1.000 2 B 45.206 1 ATOM 1841 C CA . LEU 110 270 ? B -23.047 40.075 -18.479 1.000 2 B 45.206 1 ATOM 1842 C C . LEU 110 270 ? B -21.958 39.183 -19.065 1.000 2 B 45.206 1 ATOM 1843 O O . LEU 110 270 ? B -21.719 38.080 -18.568 1.000 2 B 45.206 1 ATOM 1844 C CB . LEU 110 270 ? B -22.524 40.783 -17.227 1.000 2 B 45.206 1 ATOM 1845 C CG . LEU 110 270 ? B -23.459 41.810 -16.588 1.000 2 B 45.206 1 ATOM 1846 C CD1 . LEU 110 270 ? B -22.853 42.349 -15.297 1.000 2 B 45.206 1 ATOM 1847 C CD2 . LEU 110 270 ? B -23.752 42.946 -17.562 1.000 2 B 45.206 1 ATOM 1848 N N . SER 111 271 ? B -21.742 39.172 -20.405 1.000 2 B 36.592 1 ATOM 1849 C CA . SER 111 271 ? B -20.764 39.690 -21.357 1.000 2 B 36.592 1 ATOM 1850 C C . SER 111 271 ? B -19.371 39.135 -21.075 1.000 2 B 36.592 1 ATOM 1851 O O . SER 111 271 ? B -18.932 39.101 -19.924 1.000 2 B 36.592 1 ATOM 1852 C CB . SER 111 271 ? B -20.731 41.218 -21.314 1.000 2 B 36.592 1 ATOM 1853 O OG . SER 111 271 ? B -21.984 41.737 -20.904 1.000 2 B 36.592 1 ATOM 1854 N N . SER 112 272 ? B -18.880 38.278 -21.917 1.000 2 B 35.878 1 ATOM 1855 C CA . SER 112 272 ? B -17.917 38.567 -22.974 1.000 2 B 35.878 1 ATOM 1856 C C . SER 112 272 ? B -16.485 38.438 -22.468 1.000 2 B 35.878 1 ATOM 1857 O O . SER 112 272 ? B -16.124 39.032 -21.450 1.000 2 B 35.878 1 ATOM 1858 C CB . SER 112 272 ? B -18.143 39.972 -23.536 1.000 2 B 35.878 1 ATOM 1859 O OG . SER 112 272 ? B -17.228 40.248 -24.582 1.000 2 B 35.878 1 ATOM 1860 N N . GLU 113 273 ? B -15.772 37.346 -22.912 1.000 2 B 34.977 1 ATOM 1861 C CA . GLU 113 273 ? B -14.602 37.449 -23.778 1.000 2 B 34.977 1 ATOM 1862 C C . GLU 113 273 ? B -13.309 37.369 -22.970 1.000 2 B 34.977 1 ATOM 1863 O O . GLU 113 273 ? B -13.138 38.096 -21.989 1.000 2 B 34.977 1 ATOM 1864 C CB . GLU 113 273 ? B -14.640 38.751 -24.581 1.000 2 B 34.977 1 ATOM 1865 C CG . GLU 113 273 ? B -15.534 38.689 -25.811 1.000 2 B 34.977 1 ATOM 1866 C CD . GLU 113 273 ? B -15.319 39.850 -26.769 1.000 2 B 34.977 1 ATOM 1867 O OE1 . GLU 113 273 ? B -15.204 39.614 -27.993 1.000 2 B 34.977 1 ATOM 1868 O OE2 . GLU 113 273 ? B -15.263 41.005 -26.291 1.000 2 B 34.977 1 ATOM 1869 N N . HIS 114 274 ? B -12.523 36.275 -23.077 1.000 2 B 38.703 1 ATOM 1870 C CA . HIS 114 274 ? B -11.201 36.167 -23.683 1.000 2 B 38.703 1 ATOM 1871 C C . HIS 114 274 ? B -10.187 35.598 -22.696 1.000 2 B 38.703 1 ATOM 1872 O O . HIS 114 274 ? B -10.104 36.053 -21.553 1.000 2 B 38.703 1 ATOM 1873 C CB . HIS 114 274 ? B -10.731 37.532 -24.189 1.000 2 B 38.703 1 ATOM 1874 C CG . HIS 114 274 ? B -11.178 37.842 -25.583 1.000 2 B 38.703 1 ATOM 1875 N ND1 . HIS 114 274 ? B -10.780 37.100 -26.673 1.000 2 B 38.703 1 ATOM 1876 C CD2 . HIS 114 274 ? B -11.991 38.813 -26.060 1.000 2 B 38.703 1 ATOM 1877 C CE1 . HIS 114 274 ? B -11.330 37.604 -27.765 1.000 2 B 38.703 1 ATOM 1878 N NE2 . HIS 114 274 ? B -12.070 38.644 -27.421 1.000 2 B 38.703 1 ATOM 1879 N N . TYR 115 275 ? B -9.534 34.473 -23.002 1.000 2 B 25.900 1 ATOM 1880 C CA . TYR 115 275 ? B -8.191 34.075 -23.408 1.000 2 B 25.900 1 ATOM 1881 C C . TYR 115 275 ? B -7.191 34.300 -22.281 1.000 2 B 25.900 1 ATOM 1882 O O . TYR 115 275 ? B -7.177 35.365 -21.659 1.000 2 B 25.900 1 ATOM 1883 C CB . TYR 115 275 ? B -7.755 34.850 -24.656 1.000 2 B 25.900 1 ATOM 1884 C CG . TYR 115 275 ? B -7.460 33.968 -25.845 1.000 2 B 25.900 1 ATOM 1885 C CD1 . TYR 115 275 ? B -6.150 33.624 -26.173 1.000 2 B 25.900 1 ATOM 1886 C CD2 . TYR 115 275 ? B -8.488 33.479 -26.643 1.000 2 B 25.900 1 ATOM 1887 C CE1 . TYR 115 275 ? B -5.873 32.813 -27.269 1.000 2 B 25.900 1 ATOM 1888 C CE2 . TYR 115 275 ? B -8.222 32.668 -27.742 1.000 2 B 25.900 1 ATOM 1889 C CZ . TYR 115 275 ? B -6.914 32.341 -28.046 1.000 2 B 25.900 1 ATOM 1890 O OH . TYR 115 275 ? B -6.645 31.538 -29.132 1.000 2 B 25.900 1 ATOM 1891 N N . SER 116 276 ? B -6.477 33.255 -21.870 1.000 2 B 37.967 1 ATOM 1892 C CA . SER 116 276 ? B -5.044 32.997 -21.953 1.000 2 B 37.967 1 ATOM 1893 C C . SER 116 276 ? B -4.464 32.651 -20.586 1.000 2 B 37.967 1 ATOM 1894 O O . SER 116 276 ? B -4.743 33.332 -19.597 1.000 2 B 37.967 1 ATOM 1895 C CB . SER 116 276 ? B -4.313 34.209 -22.533 1.000 2 B 37.967 1 ATOM 1896 O OG . SER 116 276 ? B -3.909 33.961 -23.869 1.000 2 B 37.967 1 ATOM 1897 N N . SER 117 277 ? B -4.106 31.429 -20.380 1.000 2 B 32.437 1 ATOM 1898 C CA . SER 117 277 ? B -2.816 30.801 -20.113 1.000 2 B 32.437 1 ATOM 1899 C C . SER 117 277 ? B -1.741 31.845 -19.831 1.000 2 B 32.437 1 ATOM 1900 O O . SER 117 277 ? B -1.630 32.840 -20.550 1.000 2 B 32.437 1 ATOM 1901 C CB . SER 117 277 ? B -2.391 29.925 -21.292 1.000 2 B 32.437 1 ATOM 1902 O OG . SER 117 277 ? B -3.480 29.704 -22.172 1.000 2 B 32.437 1 ATOM 1903 N N . GLN 118 278 ? B -1.282 32.051 -18.568 1.000 2 B 44.336 1 ATOM 1904 C CA . GLN 118 278 ? B 0.053 32.589 -18.332 1.000 2 B 44.336 1 ATOM 1905 C C . GLN 118 278 ? B 0.424 32.513 -16.854 1.000 2 B 44.336 1 ATOM 1906 O O . GLN 118 278 ? B -0.344 32.946 -15.993 1.000 2 B 44.336 1 ATOM 1907 C CB . GLN 118 278 ? B 0.143 34.036 -18.822 1.000 2 B 44.336 1 ATOM 1908 C CG . GLN 118 278 ? B 1.569 34.521 -19.045 1.000 2 B 44.336 1 ATOM 1909 C CD . GLN 118 278 ? B 1.629 35.854 -19.769 1.000 2 B 44.336 1 ATOM 1910 O OE1 . GLN 118 278 ? B 0.684 36.648 -19.714 1.000 2 B 44.336 1 ATOM 1911 N NE2 . GLN 118 278 ? B 2.739 36.108 -20.453 1.000 2 B 44.336 1 ATOM 1912 N N . SER 119 279 ? B 1.244 31.486 -16.392 1.000 2 B 33.418 1 ATOM 1913 C CA . SER 119 279 ? B 2.559 31.245 -15.807 1.000 2 B 33.418 1 ATOM 1914 C C . SER 119 279 ? B 3.178 32.538 -15.287 1.000 2 B 33.418 1 ATOM 1915 O O . SER 119 279 ? B 3.101 33.578 -15.945 1.000 2 B 33.418 1 ATOM 1916 C CB . SER 119 279 ? B 3.492 30.599 -16.832 1.000 2 B 33.418 1 ATOM 1917 O OG . SER 119 279 ? B 2.812 30.363 -18.052 1.000 2 B 33.418 1 ATOM 1918 N N . HIS 120 280 ? B 3.638 32.572 -13.989 1.000 2 B 33.087 1 ATOM 1919 C CA . HIS 120 280 ? B 4.812 32.831 -13.162 1.000 2 B 33.087 1 ATOM 1920 C C . HIS 120 280 ? B 4.770 34.237 -12.571 1.000 2 B 33.087 1 ATOM 1921 O O . HIS 120 280 ? B 4.469 35.203 -13.276 1.000 2 B 33.087 1 ATOM 1922 C CB . HIS 120 280 ? B 6.093 32.642 -13.976 1.000 2 B 33.087 1 ATOM 1923 C CG . HIS 120 280 ? B 6.352 31.222 -14.365 1.000 2 B 33.087 1 ATOM 1924 N ND1 . HIS 120 280 ? B 6.635 30.237 -13.443 1.000 2 B 33.087 1 ATOM 1925 C CD2 . HIS 120 280 ? B 6.368 30.621 -15.578 1.000 2 B 33.087 1 ATOM 1926 C CE1 . HIS 120 280 ? B 6.815 29.089 -14.074 1.000 2 B 33.087 1 ATOM 1927 N NE2 . HIS 120 280 ? B 6.659 29.295 -15.371 1.000 2 B 33.087 1 ATOM 1928 N N . GLY 121 281 ? B 4.876 34.342 -11.251 1.000 2 B 30.822 1 ATOM 1929 C CA . GLY 121 281 ? B 5.931 35.069 -10.563 1.000 2 B 30.822 1 ATOM 1930 C C . GLY 121 281 ? B 5.507 36.456 -10.119 1.000 2 B 30.822 1 ATOM 1931 O O . GLY 121 281 ? B 4.875 37.191 -10.881 1.000 2 B 30.822 1 ATOM 1932 N N . ASN 122 282 ? B 5.399 36.676 -8.791 1.000 2 B 32.080 1 ATOM 1933 C CA . ASN 122 282 ? B 6.093 37.692 -8.007 1.000 2 B 32.080 1 ATOM 1934 C C . ASN 122 282 ? B 5.296 38.992 -7.944 1.000 2 B 32.080 1 ATOM 1935 O O . ASN 122 282 ? B 4.819 39.483 -8.969 1.000 2 B 32.080 1 ATOM 1936 C CB . ASN 122 282 ? B 7.488 37.951 -8.579 1.000 2 B 32.080 1 ATOM 1937 C CG . ASN 122 282 ? B 8.506 36.925 -8.123 1.000 2 B 32.080 1 ATOM 1938 O OD1 . ASN 122 282 ? B 8.716 35.904 -8.785 1.000 2 B 32.080 1 ATOM 1939 N ND2 . ASN 122 282 ? B 9.146 37.187 -6.990 1.000 2 B 32.080 1 ATOM 1940 N N . SER 123 283 ? B 4.978 39.483 -6.686 1.000 2 B 34.380 1 ATOM 1941 C CA . SER 123 283 ? B 5.342 40.756 -6.073 1.000 2 B 34.380 1 ATOM 1942 C C . SER 123 283 ? B 4.119 41.458 -5.491 1.000 2 B 34.380 1 ATOM 1943 O O . SER 123 283 ? B 3.092 41.583 -6.160 1.000 2 B 34.380 1 ATOM 1944 C CB . SER 123 283 ? B 6.026 41.667 -7.092 1.000 2 B 34.380 1 ATOM 1945 O OG . SER 123 283 ? B 6.226 42.963 -6.555 1.000 2 B 34.380 1 ATOM 1946 N N . MET 124 284 ? B 4.007 41.497 -4.119 1.000 2 B 34.235 1 ATOM 1947 C CA . MET 124 284 ? B 4.020 42.519 -3.076 1.000 2 B 34.235 1 ATOM 1948 C C . MET 124 284 ? B 3.652 43.884 -3.648 1.000 2 B 34.235 1 ATOM 1949 O O . MET 124 284 ? B 4.232 44.322 -4.642 1.000 2 B 34.235 1 ATOM 1950 C CB . MET 124 284 ? B 5.394 42.585 -2.406 1.000 2 B 34.235 1 ATOM 1951 C CG . MET 124 284 ? B 5.362 42.299 -0.913 1.000 2 B 34.235 1 ATOM 1952 S SD . MET 124 284 ? B 6.961 42.666 -0.093 1.000 2 B 34.235 1 ATOM 1953 C CE . MET 124 284 ? B 6.615 44.326 0.555 1.000 2 B 34.235 1 ATOM 1954 N N . THR 125 285 ? B 2.385 44.357 -3.476 1.000 2 B 42.584 1 ATOM 1955 C CA . THR 125 285 ? B 1.943 45.747 -3.441 1.000 2 B 42.584 1 ATOM 1956 C C . THR 125 285 ? B 0.603 45.870 -2.721 1.000 2 B 42.584 1 ATOM 1957 O O . THR 125 285 ? B -0.319 45.092 -2.976 1.000 2 B 42.584 1 ATOM 1958 C CB . THR 125 285 ? B 1.821 46.330 -4.861 1.000 2 B 42.584 1 ATOM 1959 O OG1 . THR 125 285 ? B 1.358 45.309 -5.753 1.000 2 B 42.584 1 ATOM 1960 C CG2 . THR 125 285 ? B 3.165 46.852 -5.358 1.000 2 B 42.584 1 ATOM 1961 N N . GLU 126 286 ? B 0.554 46.416 -1.500 1.000 2 B 36.203 1 ATOM 1962 C CA . GLU 126 286 ? B 0.231 47.800 -1.167 1.000 2 B 36.203 1 ATOM 1963 C C . GLU 126 286 ? B -1.264 47.973 -0.915 1.000 2 B 36.203 1 ATOM 1964 O O . GLU 126 286 ? B -2.089 47.534 -1.719 1.000 2 B 36.203 1 ATOM 1965 C CB . GLU 126 286 ? B 0.689 48.743 -2.283 1.000 2 B 36.203 1 ATOM 1966 C CG . GLU 126 286 ? B 1.997 49.461 -1.983 1.000 2 B 36.203 1 ATOM 1967 C CD . GLU 126 286 ? B 2.115 50.808 -2.678 1.000 2 B 36.203 1 ATOM 1968 O OE1 . GLU 126 286 ? B 2.860 51.684 -2.183 1.000 2 B 36.203 1 ATOM 1969 O OE2 . GLU 126 286 ? B 1.456 50.989 -3.727 1.000 2 B 36.203 1 ATOM 1970 N N . LEU 127 287 ? B -1.670 48.318 0.312 1.000 2 B 36.822 1 ATOM 1971 C CA . LEU 127 287 ? B -2.259 49.534 0.864 1.000 2 B 36.822 1 ATOM 1972 C C . LEU 127 287 ? B -3.757 49.359 1.089 1.000 2 B 36.822 1 ATOM 1973 O O . LEU 127 287 ? B -4.489 48.995 0.166 1.000 2 B 36.822 1 ATOM 1974 C CB . LEU 127 287 ? B -2.006 50.722 -0.067 1.000 2 B 36.822 1 ATOM 1975 C CG . LEU 127 287 ? B -0.543 51.101 -0.302 1.000 2 B 36.822 1 ATOM 1976 C CD1 . LEU 127 287 ? B -0.434 52.116 -1.434 1.000 2 B 36.822 1 ATOM 1977 C CD2 . LEU 127 287 ? B 0.079 51.650 0.978 1.000 2 B 36.822 1 ATOM 1978 N N . LYS 128 288 ? B -4.177 49.354 2.367 1.000 2 B 39.233 1 ATOM 1979 C CA . LYS 128 288 ? B -4.945 50.269 3.207 1.000 2 B 39.233 1 ATOM 1980 C C . LYS 128 288 ? B -6.271 49.643 3.631 1.000 2 B 39.233 1 ATOM 1981 O O . LYS 128 288 ? B -6.984 49.069 2.805 1.000 2 B 39.233 1 ATOM 1982 C CB . LYS 128 288 ? B -5.198 51.587 2.473 1.000 2 B 39.233 1 ATOM 1983 C CG . LYS 128 288 ? B -4.594 52.803 3.160 1.000 2 B 39.233 1 ATOM 1984 C CD . LYS 128 288 ? B -5.059 54.100 2.510 1.000 2 B 39.233 1 ATOM 1985 C CE . LYS 128 288 ? B -4.718 55.310 3.370 1.000 2 B 39.233 1 ATOM 1986 N NZ . LYS 128 288 ? B -4.489 56.531 2.541 1.000 2 B 39.233 1 ATOM 1987 N N . PRO 129 289 ? B -6.807 50.048 4.819 1.000 2 B 44.560 1 ATOM 1988 C CA . PRO 129 289 ? B -7.757 49.475 5.775 1.000 2 B 44.560 1 ATOM 1989 C C . PRO 129 289 ? B -9.107 50.189 5.766 1.000 2 B 44.560 1 ATOM 1990 O O . PRO 129 289 ? B -9.215 51.307 5.257 1.000 2 B 44.560 1 ATOM 1991 C CB . PRO 129 289 ? B -7.053 49.655 7.122 1.000 2 B 44.560 1 ATOM 1992 C CG . PRO 129 289 ? B -6.320 50.952 7.000 1.000 2 B 44.560 1 ATOM 1993 C CD . PRO 129 289 ? B -6.454 51.444 5.587 1.000 2 B 44.560 1 ATOM 1994 N N . SER 130 290 ? B -10.304 49.429 5.539 1.000 2 B 34.903 1 ATOM 1995 C CA . SER 130 290 ? B -11.616 50.042 5.723 1.000 2 B 34.903 1 ATOM 1996 C C . SER 130 290 ? B -12.644 49.018 6.191 1.000 2 B 34.903 1 ATOM 1997 O O . SER 130 290 ? B -12.793 47.957 5.581 1.000 2 B 34.903 1 ATOM 1998 C CB . SER 130 290 ? B -12.089 50.695 4.424 1.000 2 B 34.903 1 ATOM 1999 O OG . SER 130 290 ? B -13.321 51.368 4.620 1.000 2 B 34.903 1 ATOM 2000 N N . SER 131 291 ? B -12.880 48.871 7.505 1.000 2 B 42.964 1 ATOM 2001 C CA . SER 131 291 ? B -14.279 48.918 7.919 1.000 2 B 42.964 1 ATOM 2002 C C . SER 131 291 ? B -14.446 48.438 9.357 1.000 2 B 42.964 1 ATOM 2003 O O . SER 131 291 ? B -13.914 47.392 9.733 1.000 2 B 42.964 1 ATOM 2004 C CB . SER 131 291 ? B -15.143 48.069 6.986 1.000 2 B 42.964 1 ATOM 2005 O OG . SER 131 291 ? B -15.061 48.545 5.653 1.000 2 B 42.964 1 ATOM 2006 N N . LYS 132 292 ? B -14.431 49.348 10.381 1.000 2 B 32.256 1 ATOM 2007 C CA . LYS 132 292 ? B -15.252 49.870 11.470 1.000 2 B 32.256 1 ATOM 2008 C C . LYS 132 292 ? B -16.460 48.974 11.726 1.000 2 B 32.256 1 ATOM 2009 O O . LYS 132 292 ? B -17.319 48.817 10.856 1.000 2 B 32.256 1 ATOM 2010 C CB . LYS 132 292 ? B -15.713 51.295 11.160 1.000 2 B 32.256 1 ATOM 2011 C CG . LYS 132 292 ? B -14.739 52.373 11.613 1.000 2 B 32.256 1 ATOM 2012 C CD . LYS 132 292 ? B -15.392 53.749 11.620 1.000 2 B 32.256 1 ATOM 2013 C CE . LYS 132 292 ? B -14.471 54.803 12.220 1.000 2 B 32.256 1 ATOM 2014 N NZ . LYS 132 292 ? B -14.875 56.184 11.820 1.000 2 B 32.256 1 ATOM 2015 N N . ALA 133 293 ? B -16.404 48.028 12.648 1.000 2 B 42.883 1 ATOM 2016 C CA . ALA 133 293 ? B -17.599 47.710 13.426 1.000 2 B 42.883 1 ATOM 2017 C C . ALA 133 293 ? B -17.229 47.139 14.791 1.000 2 B 42.883 1 ATOM 2018 O O . ALA 133 293 ? B -16.362 46.268 14.892 1.000 2 B 42.883 1 ATOM 2019 C CB . ALA 133 293 ? B -18.484 46.727 12.663 1.000 2 B 42.883 1 ATOM 2020 N N . HIS 134 294 ? B -17.084 47.920 15.887 1.000 2 B 39.582 1 ATOM 2021 C CA . HIS 134 294 ? B -17.434 48.159 17.282 1.000 2 B 39.582 1 ATOM 2022 C C . HIS 134 294 ? B -17.938 46.884 17.950 1.000 2 B 39.582 1 ATOM 2023 O O . HIS 134 294 ? B -19.000 46.369 17.592 1.000 2 B 39.582 1 ATOM 2024 C CB . HIS 134 294 ? B -18.489 49.261 17.389 1.000 2 B 39.582 1 ATOM 2025 C CG . HIS 134 294 ? B -17.931 50.642 17.254 1.000 2 B 39.582 1 ATOM 2026 N ND1 . HIS 134 294 ? B -17.166 51.235 18.235 1.000 2 B 39.582 1 ATOM 2027 C CD2 . HIS 134 294 ? B -18.026 51.545 16.249 1.000 2 B 39.582 1 ATOM 2028 C CE1 . HIS 134 294 ? B -16.814 52.446 17.839 1.000 2 B 39.582 1 ATOM 2029 N NE2 . HIS 134 294 ? B -17.323 52.659 16.637 1.000 2 B 39.582 1 ATOM 2030 N N . LEU 135 295 ? B -17.185 45.903 18.394 1.000 2 B 40.383 1 ATOM 2031 C CA . LEU 135 295 ? B -17.605 44.855 19.318 1.000 2 B 40.383 1 ATOM 2032 C C . LEU 135 295 ? B -16.981 45.062 20.695 1.000 2 B 40.383 1 ATOM 2033 O O . LEU 135 295 ? B -15.785 45.342 20.803 1.000 2 B 40.383 1 ATOM 2034 C CB . LEU 135 295 ? B -17.222 43.476 18.774 1.000 2 B 40.383 1 ATOM 2035 C CG . LEU 135 295 ? B -18.209 42.836 17.797 1.000 2 B 40.383 1 ATOM 2036 C CD1 . LEU 135 295 ? B -17.460 42.058 16.721 1.000 2 B 40.383 1 ATOM 2037 C CD2 . LEU 135 295 ? B -19.184 41.928 18.539 1.000 2 B 40.383 1 ATOM 2038 N N . THR 136 296 ? B -17.586 45.927 21.584 1.000 2 B 37.217 1 ATOM 2039 C CA . THR 136 296 ? B -17.989 45.924 22.986 1.000 2 B 37.217 1 ATOM 2040 C C . THR 136 296 ? B -17.284 44.807 23.749 1.000 2 B 37.217 1 ATOM 2041 O O . THR 136 296 ? B -17.145 43.692 23.241 1.000 2 B 37.217 1 ATOM 2042 C CB . THR 136 296 ? B -19.514 45.764 23.129 1.000 2 B 37.217 1 ATOM 2043 O OG1 . THR 136 296 ? B -19.938 44.609 22.394 1.000 2 B 37.217 1 ATOM 2044 C CG2 . THR 136 296 ? B -20.248 46.989 22.594 1.000 2 B 37.217 1 ATOM 2045 N N . LYS 137 297 ? B -16.157 45.070 24.406 1.000 2 B 39.724 1 ATOM 2046 C CA . LYS 137 297 ? B -15.587 44.808 25.725 1.000 2 B 39.724 1 ATOM 2047 C C . LYS 137 297 ? B -16.183 43.546 26.341 1.000 2 B 39.724 1 ATOM 2048 O O . LYS 137 297 ? B -17.351 43.534 26.737 1.000 2 B 39.724 1 ATOM 2049 C CB . LYS 137 297 ? B -15.811 46.001 26.654 1.000 2 B 39.724 1 ATOM 2050 C CG . LYS 137 297 ? B -15.013 47.240 26.276 1.000 2 B 39.724 1 ATOM 2051 C CD . LYS 137 297 ? B -14.541 47.999 27.509 1.000 2 B 39.724 1 ATOM 2052 C CE . LYS 137 297 ? B -13.704 49.214 27.133 1.000 2 B 39.724 1 ATOM 2053 N NZ . LYS 137 297 ? B -13.335 50.025 28.331 1.000 2 B 39.724 1 ATOM 2054 N N . LEU 138 298 ? B -16.160 42.335 25.678 1.000 2 B 40.666 1 ATOM 2055 C CA . LEU 138 298 ? B -16.458 41.108 26.407 1.000 2 B 40.666 1 ATOM 2056 C C . LEU 138 298 ? B -15.196 40.534 27.044 1.000 2 B 40.666 1 ATOM 2057 O O . LEU 138 298 ? B -14.166 40.399 26.379 1.000 2 B 40.666 1 ATOM 2058 C CB . LEU 138 298 ? B -17.090 40.071 25.475 1.000 2 B 40.666 1 ATOM 2059 C CG . LEU 138 298 ? B -18.526 40.349 25.026 1.000 2 B 40.666 1 ATOM 2060 C CD1 . LEU 138 298 ? B -18.968 39.317 23.994 1.000 2 B 40.666 1 ATOM 2061 C CD2 . LEU 138 298 ? B -19.470 40.354 26.223 1.000 2 B 40.666 1 ATOM 2062 N N . LYS 139 299 ? B -14.749 41.056 28.158 1.000 2 B 43.976 1 ATOM 2063 C CA . LYS 139 299 ? B -14.318 40.469 29.424 1.000 2 B 43.976 1 ATOM 2064 C C . LYS 139 299 ? B -13.909 39.010 29.242 1.000 2 B 43.976 1 ATOM 2065 O O . LYS 139 299 ? B -14.721 38.180 28.827 1.000 2 B 43.976 1 ATOM 2066 C CB . LYS 139 299 ? B -15.427 40.576 30.471 1.000 2 B 43.976 1 ATOM 2067 C CG . LYS 139 299 ? B -15.003 40.148 31.868 1.000 2 B 43.976 1 ATOM 2068 C CD . LYS 139 299 ? B -14.314 41.283 32.615 1.000 2 B 43.976 1 ATOM 2069 C CE . LYS 139 299 ? B -14.004 40.898 34.055 1.000 2 B 43.976 1 ATOM 2070 N NZ . LYS 139 299 ? B -13.045 41.852 34.689 1.000 2 B 43.976 1 ATOM 2071 N N . ILE 140 300 ? B -12.747 38.728 28.750 1.000 2 B 46.525 1 ATOM 2072 C CA . ILE 140 300 ? B -11.992 37.481 28.683 1.000 2 B 46.525 1 ATOM 2073 C C . ILE 140 300 ? B -12.143 36.716 29.996 1.000 2 B 46.525 1 ATOM 2074 O O . ILE 140 300 ? B -11.826 37.240 31.067 1.000 2 B 46.525 1 ATOM 2075 C CB . ILE 140 300 ? B -10.499 37.740 28.381 1.000 2 B 46.525 1 ATOM 2076 C CG1 . ILE 140 300 ? B -10.350 38.608 27.127 1.000 2 B 46.525 1 ATOM 2077 C CG2 . ILE 140 300 ? B -9.743 36.417 28.225 1.000 2 B 46.525 1 ATOM 2078 C CD1 . ILE 140 300 ? B -8.943 39.147 26.911 1.000 2 B 46.525 1 ATOM 2079 N N . PRO 141 301 ? B -13.190 35.950 30.370 1.000 2 B 40.133 1 ATOM 2080 C CA . PRO 141 301 ? B -13.003 35.151 31.583 1.000 2 B 40.133 1 ATOM 2081 C C . PRO 141 301 ? B -11.757 34.270 31.524 1.000 2 B 40.133 1 ATOM 2082 O O . PRO 141 301 ? B -11.449 33.700 30.474 1.000 2 B 40.133 1 ATOM 2083 C CB . PRO 141 301 ? B -14.272 34.298 31.643 1.000 2 B 40.133 1 ATOM 2084 C CG . PRO 141 301 ? B -15.245 34.998 30.750 1.000 2 B 40.133 1 ATOM 2085 C CD . PRO 141 301 ? B -14.477 35.717 29.678 1.000 2 B 40.133 1 ATOM 2086 N N . SER 142 302 ? B -10.618 34.647 32.194 1.000 2 B 41.552 1 ATOM 2087 C CA . SER 142 302 ? B -9.653 34.009 33.084 1.000 2 B 41.552 1 ATOM 2088 C C . SER 142 302 ? B -10.137 32.632 33.526 1.000 2 B 41.552 1 ATOM 2089 O O . SER 142 302 ? B -11.299 32.468 33.904 1.000 2 B 41.552 1 ATOM 2090 C CB . SER 142 302 ? B -9.392 34.885 34.309 1.000 2 B 41.552 1 ATOM 2091 O OG . SER 142 302 ? B -10.583 35.526 34.732 1.000 2 B 41.552 1 ATOM 2092 N N . GLN 143 303 ? B -10.067 31.604 32.716 1.000 2 B 34.315 1 ATOM 2093 C CA . GLN 143 303 ? B -9.746 30.236 33.109 1.000 2 B 34.315 1 ATOM 2094 C C . GLN 143 303 ? B -11.011 29.448 33.438 1.000 2 B 34.315 1 ATOM 2095 O O . GLN 143 303 ? B -11.819 29.876 34.264 1.000 2 B 34.315 1 ATOM 2096 C CB . GLN 143 303 ? B -8.797 30.230 34.308 1.000 2 B 34.315 1 ATOM 2097 C CG . GLN 143 303 ? B -7.323 30.194 33.926 1.000 2 B 34.315 1 ATOM 2098 C CD . GLN 143 303 ? B -6.640 28.905 34.343 1.000 2 B 34.315 1 ATOM 2099 O OE1 . GLN 143 303 ? B -7.291 27.870 34.516 1.000 2 B 34.315 1 ATOM 2100 N NE2 . GLN 143 303 ? B -5.323 28.959 34.509 1.000 2 B 34.315 1 ATOM 2101 N N . PRO 144 304 ? B -11.266 28.451 32.611 1.000 2 B 39.486 1 ATOM 2102 C CA . PRO 144 304 ? B -11.296 27.171 33.322 1.000 2 B 39.486 1 ATOM 2103 C C . PRO 144 304 ? B -10.529 26.071 32.591 1.000 2 B 39.486 1 ATOM 2104 O O . PRO 144 304 ? B -10.380 26.127 31.367 1.000 2 B 39.486 1 ATOM 2105 C CB . PRO 144 304 ? B -12.789 26.841 33.391 1.000 2 B 39.486 1 ATOM 2106 C CG . PRO 144 304 ? B -13.368 27.426 32.144 1.000 2 B 39.486 1 ATOM 2107 C CD . PRO 144 304 ? B -12.282 28.165 31.415 1.000 2 B 39.486 1 ATOM 2108 N N . LEU 145 305 ? B -9.294 25.747 32.983 1.000 2 B 39.168 1 ATOM 2109 C CA . LEU 145 305 ? B -8.818 24.439 33.421 1.000 2 B 39.168 1 ATOM 2110 C C . LEU 145 305 ? B -9.833 23.352 33.085 1.000 2 B 39.168 1 ATOM 2111 O O . LEU 145 305 ? B -11.007 23.460 33.446 1.000 2 B 39.168 1 ATOM 2112 C CB . LEU 145 305 ? B -8.539 24.446 34.926 1.000 2 B 39.168 1 ATOM 2113 C CG . LEU 145 305 ? B -7.097 24.733 35.347 1.000 2 B 39.168 1 ATOM 2114 C CD1 . LEU 145 305 ? B -6.998 26.108 35.999 1.000 2 B 39.168 1 ATOM 2115 C CD2 . LEU 145 305 ? B -6.590 23.649 36.293 1.000 2 B 39.168 1 ATOM 2116 N N . ASP 146 306 ? B -10.076 23.149 31.697 1.000 2 B 38.191 1 ATOM 2117 C CA . ASP 146 306 ? B -10.391 21.811 31.206 1.000 2 B 38.191 1 ATOM 2118 C C . ASP 146 306 ? B -11.014 21.869 29.813 1.000 2 B 38.191 1 ATOM 2119 O O . ASP 146 306 ? B -12.183 22.231 29.665 1.000 2 B 38.191 1 ATOM 2120 C CB . ASP 146 306 ? B -11.333 21.093 32.174 1.000 2 B 38.191 1 ATOM 2121 C CG . ASP 146 306 ? B -10.601 20.396 33.308 1.000 2 B 38.191 1 ATOM 2122 O OD1 . ASP 146 306 ? B -9.453 19.944 33.105 1.000 2 B 38.191 1 ATOM 2123 O OD2 . ASP 146 306 ? B -11.177 20.297 34.412 1.000 2 B 38.191 1 ATOM 2124 N N . ALA 147 307 ? B -10.428 22.547 28.870 1.000 2 B 39.100 1 ATOM 2125 C CA . ALA 147 307 ? B -10.842 22.380 27.479 1.000 2 B 39.100 1 ATOM 2126 C C . ALA 147 307 ? B -10.211 21.134 26.864 1.000 2 B 39.100 1 ATOM 2127 O O . ALA 147 307 ? B -9.718 21.174 25.734 1.000 2 B 39.100 1 ATOM 2128 C CB . ALA 147 307 ? B -10.477 23.616 26.662 1.000 2 B 39.100 1 ATOM 2129 N N . SER 148 308 ? B -10.217 19.976 27.531 1.000 2 B 43.573 1 ATOM 2130 C CA . SER 148 308 ? B -10.180 18.708 26.810 1.000 2 B 43.573 1 ATOM 2131 C C . SER 148 308 ? B -11.587 18.192 26.526 1.000 2 B 43.573 1 ATOM 2132 O O . SER 148 308 ? B -11.758 17.201 25.814 1.000 2 B 43.573 1 ATOM 2133 C CB . SER 148 308 ? B -9.396 17.663 27.604 1.000 2 B 43.573 1 ATOM 2134 O OG . SER 148 308 ? B -8.010 17.961 27.598 1.000 2 B 43.573 1 ATOM 2135 N N . ALA 149 309 ? B -12.582 18.965 26.009 1.000 2 B 45.307 1 ATOM 2136 C CA . ALA 149 309 ? B -13.667 18.138 25.487 1.000 2 B 45.307 1 ATOM 2137 C C . ALA 149 309 ? B -14.354 18.816 24.305 1.000 2 B 45.307 1 ATOM 2138 O O . ALA 149 309 ? B -15.241 18.234 23.677 1.000 2 B 45.307 1 ATOM 2139 C CB . ALA 149 309 ? B -14.683 17.837 26.587 1.000 2 B 45.307 1 ATOM 2140 N N . SER 150 310 ? B -13.797 19.864 23.594 1.000 2 B 41.765 1 ATOM 2141 C CA . SER 150 310 ? B -14.463 20.385 22.405 1.000 2 B 41.765 1 ATOM 2142 C C . SER 150 310 ? B -13.658 20.087 21.145 1.000 2 B 41.765 1 ATOM 2143 O O . SER 150 310 ? B -14.072 20.441 20.039 1.000 2 B 41.765 1 ATOM 2144 C CB . SER 150 310 ? B -14.688 21.892 22.532 1.000 2 B 41.765 1 ATOM 2145 O OG . SER 150 310 ? B -13.917 22.598 21.575 1.000 2 B 41.765 1 ATOM 2146 N N . GLY 151 311 ? B -12.797 19.072 21.168 1.000 2 B 48.241 1 ATOM 2147 C CA . GLY 151 311 ? B -12.022 18.500 20.079 1.000 2 B 48.241 1 ATOM 2148 C C . GLY 151 311 ? B -12.393 17.060 19.776 1.000 2 B 48.241 1 ATOM 2149 O O . GLY 151 311 ? B -11.826 16.445 18.870 1.000 2 B 48.241 1 ATOM 2150 N N . ASP 152 312 ? B -13.610 16.641 20.269 1.000 2 B 50.529 1 ATOM 2151 C CA . ASP 152 312 ? B -13.929 15.221 20.159 1.000 2 B 50.529 1 ATOM 2152 C C . ASP 152 312 ? B -14.738 14.937 18.895 1.000 2 B 50.529 1 ATOM 2153 O O . ASP 152 312 ? B -14.529 13.917 18.234 1.000 2 B 50.529 1 ATOM 2154 C CB . ASP 152 312 ? B -14.698 14.747 21.393 1.000 2 B 50.529 1 ATOM 2155 C CG . ASP 152 312 ? B -14.688 13.237 21.554 1.000 2 B 50.529 1 ATOM 2156 O OD1 . ASP 152 312 ? B -13.908 12.554 20.856 1.000 2 B 50.529 1 ATOM 2157 O OD2 . ASP 152 312 ? B -15.469 12.724 22.384 1.000 2 B 50.529 1 ATOM 2158 N N . VAL 153 313 ? B -15.594 16.010 18.276 1.000 2 B 50.953 1 ATOM 2159 C CA . VAL 153 313 ? B -16.303 15.654 17.052 1.000 2 B 50.953 1 ATOM 2160 C C . VAL 153 313 ? B -15.426 15.956 15.839 1.000 2 B 50.953 1 ATOM 2161 O O . VAL 153 313 ? B -15.480 15.245 14.833 1.000 2 B 50.953 1 ATOM 2162 C CB . VAL 153 313 ? B -17.649 16.404 16.937 1.000 2 B 50.953 1 ATOM 2163 C CG1 . VAL 153 313 ? B -18.455 15.887 15.746 1.000 2 B 50.953 1 ATOM 2164 C CG2 . VAL 153 313 ? B -18.450 16.262 18.230 1.000 2 B 50.953 1 ATOM 2165 N N . SER 154 314 ? B -14.413 16.745 16.143 1.000 2 B 71.253 1 ATOM 2166 C CA . SER 154 314 ? B -13.397 17.008 15.129 1.000 2 B 71.253 1 ATOM 2167 C C . SER 154 314 ? B -12.350 15.900 15.096 1.000 2 B 71.253 1 ATOM 2168 O O . SER 154 314 ? B -11.888 15.508 14.023 1.000 2 B 71.253 1 ATOM 2169 C CB . SER 154 314 ? B -12.719 18.354 15.387 1.000 2 B 71.253 1 ATOM 2170 O OG . SER 154 314 ? B -11.686 18.586 14.444 1.000 2 B 71.253 1 ATOM 2171 N N . CYS 155 315 ? B -12.424 15.124 16.159 1.000 2 B 90.103 1 ATOM 2172 C CA . CYS 155 315 ? B -11.360 14.128 16.216 1.000 2 B 90.103 1 ATOM 2173 C C . CYS 155 315 ? B -11.743 12.876 15.437 1.000 2 B 90.103 1 ATOM 2174 O O . CYS 155 315 ? B -10.920 12.315 14.711 1.000 2 B 90.103 1 ATOM 2175 C CB . CYS 155 315 ? B -11.045 13.762 17.666 1.000 2 B 90.103 1 ATOM 2176 S SG . CYS 155 315 ? B -9.782 12.482 17.836 1.000 2 B 90.103 1 ATOM 2177 N N . VAL 156 316 ? B -13.131 12.431 15.574 1.000 2 B 93.150 1 ATOM 2178 C CA . VAL 156 316 ? B -13.578 11.225 14.885 1.000 2 B 93.150 1 ATOM 2179 C C . VAL 156 316 ? B -13.555 11.453 13.375 1.000 2 B 93.150 1 ATOM 2180 O O . VAL 156 316 ? B -13.139 10.576 12.615 1.000 2 B 93.150 1 ATOM 2181 C CB . VAL 156 316 ? B -14.993 10.803 15.339 1.000 2 B 93.150 1 ATOM 2182 C CG1 . VAL 156 316 ? B -15.542 9.697 14.439 1.000 2 B 93.150 1 ATOM 2183 C CG2 . VAL 156 316 ? B -14.972 10.348 16.797 1.000 2 B 93.150 1 ATOM 2184 N N . ASP 157 317 ? B -14.078 12.634 12.974 1.000 2 B 93.237 1 ATOM 2185 C CA . ASP 157 317 ? B -14.070 12.964 11.552 1.000 2 B 93.237 1 ATOM 2186 C C . ASP 157 317 ? B -12.648 12.958 10.995 1.000 2 B 93.237 1 ATOM 2187 O O . ASP 157 317 ? B -12.414 12.490 9.879 1.000 2 B 93.237 1 ATOM 2188 C CB . ASP 157 317 ? B -14.722 14.327 11.313 1.000 2 B 93.237 1 ATOM 2189 C CG . ASP 157 317 ? B -16.231 14.300 11.486 1.000 2 B 93.237 1 ATOM 2190 O OD1 . ASP 157 317 ? B -16.893 13.399 10.929 1.000 2 B 93.237 1 ATOM 2191 O OD2 . ASP 157 317 ? B -16.762 15.191 12.184 1.000 2 B 93.237 1 ATOM 2192 N N . GLU 158 318 ? B -11.689 13.515 11.785 1.000 2 B 93.931 1 ATOM 2193 C CA . GLU 158 318 ? B -10.286 13.525 11.379 1.000 2 B 93.931 1 ATOM 2194 C C . GLU 158 318 ? B -9.726 12.108 11.296 1.000 2 B 93.931 1 ATOM 2195 O O . GLU 158 318 ? B -8.959 11.791 10.385 1.000 2 B 93.931 1 ATOM 2196 C CB . GLU 158 318 ? B -9.452 14.366 12.349 1.000 2 B 93.931 1 ATOM 2197 C CG . GLU 158 318 ? B -9.712 15.862 12.247 1.000 2 B 93.931 1 ATOM 2198 C CD . GLU 158 318 ? B -8.797 16.691 13.134 1.000 2 B 93.931 1 ATOM 2199 O OE1 . GLU 158 318 ? B -7.834 17.298 12.613 1.000 2 B 93.931 1 ATOM 2200 O OE2 . GLU 158 318 ? B -9.044 16.734 14.360 1.000 2 B 93.931 1 ATOM 2201 N N . ILE 159 319 ? B -10.124 11.276 12.146 1.000 2 B 94.798 1 ATOM 2202 C CA . ILE 159 319 ? B -9.698 9.880 12.136 1.000 2 B 94.798 1 ATOM 2203 C C . ILE 159 319 ? B -10.227 9.188 10.882 1.000 2 B 94.798 1 ATOM 2204 O O . ILE 159 319 ? B -9.480 8.499 10.184 1.000 2 B 94.798 1 ATOM 2205 C CB . ILE 159 319 ? B -10.176 9.135 13.402 1.000 2 B 94.798 1 ATOM 2206 C CG1 . ILE 159 319 ? B -9.455 9.673 14.643 1.000 2 B 94.798 1 ATOM 2207 C CG2 . ILE 159 319 ? B -9.961 7.626 13.254 1.000 2 B 94.798 1 ATOM 2208 C CD1 . ILE 159 319 ? B -10.015 9.151 15.960 1.000 2 B 94.798 1 ATOM 2209 N N . LEU 160 320 ? B -11.559 9.378 10.670 1.000 2 B 95.195 1 ATOM 2210 C CA . LEU 160 320 ? B -12.173 8.736 9.513 1.000 2 B 95.195 1 ATOM 2211 C C . LEU 160 320 ? B -11.552 9.246 8.216 1.000 2 B 95.195 1 ATOM 2212 O O . LEU 160 320 ? B -11.332 8.472 7.282 1.000 2 B 95.195 1 ATOM 2213 C CB . LEU 160 320 ? B -13.684 8.983 9.501 1.000 2 B 95.195 1 ATOM 2214 C CG . LEU 160 320 ? B -14.506 8.203 10.528 1.000 2 B 95.195 1 ATOM 2215 C CD1 . LEU 160 320 ? B -15.940 8.720 10.561 1.000 2 B 95.195 1 ATOM 2216 C CD2 . LEU 160 320 ? B -14.477 6.711 10.216 1.000 2 B 95.195 1 ATOM 2217 N N . LYS 161 321 ? B -11.342 10.515 8.238 1.000 2 B 93.230 1 ATOM 2218 C CA . LYS 161 321 ? B -10.678 11.093 7.074 1.000 2 B 93.230 1 ATOM 2219 C C . LYS 161 321 ? B -9.319 10.440 6.836 1.000 2 B 93.230 1 ATOM 2220 O O . LYS 161 321 ? B -8.985 10.084 5.704 1.000 2 B 93.230 1 ATOM 2221 C CB . LYS 161 321 ? B -10.510 12.603 7.245 1.000 2 B 93.230 1 ATOM 2222 C CG . LYS 161 321 ? B -9.898 13.299 6.039 1.000 2 B 93.230 1 ATOM 2223 C CD . LYS 161 321 ? B -9.803 14.805 6.250 1.000 2 B 93.230 1 ATOM 2224 C CE . LYS 161 321 ? B -9.105 15.491 5.085 1.000 2 B 93.230 1 ATOM 2225 N NZ . LYS 161 321 ? B -8.942 16.957 5.321 1.000 2 B 93.230 1 ATOM 2226 N N . GLU 162 322 ? B -8.584 10.262 7.845 1.000 2 B 92.417 1 ATOM 2227 C CA . GLU 162 322 ? B -7.240 9.698 7.751 1.000 2 B 92.417 1 ATOM 2228 C C . GLU 162 322 ? B -7.288 8.206 7.436 1.000 2 B 92.417 1 ATOM 2229 O O . GLU 162 322 ? B -6.566 7.728 6.559 1.000 2 B 92.417 1 ATOM 2230 C CB . GLU 162 322 ? B -6.465 9.938 9.049 1.000 2 B 92.417 1 ATOM 2231 C CG . GLU 162 322 ? B -5.068 9.334 9.051 1.000 2 B 92.417 1 ATOM 2232 C CD . GLU 162 322 ? B -4.349 9.490 10.382 1.000 2 B 92.417 1 ATOM 2233 O OE1 . GLU 162 322 ? B -3.279 8.868 10.570 1.000 2 B 92.417 1 ATOM 2234 O OE2 . GLU 162 322 ? B -4.860 10.240 11.243 1.000 2 B 92.417 1 ATOM 2235 N N . MET 163 323 ? B -8.175 7.476 8.105 1.000 2 B 93.551 1 ATOM 2236 C CA . MET 163 323 ? B -8.127 6.017 8.070 1.000 2 B 93.551 1 ATOM 2237 C C . MET 163 323 ? B -8.928 5.474 6.892 1.000 2 B 93.551 1 ATOM 2238 O O . MET 163 323 ? B -8.767 4.314 6.508 1.000 2 B 93.551 1 ATOM 2239 C CB . MET 163 323 ? B -8.658 5.430 9.379 1.000 2 B 93.551 1 ATOM 2240 C CG . MET 163 323 ? B -7.793 5.746 10.588 1.000 2 B 93.551 1 ATOM 2241 S SD . MET 163 323 ? B -6.073 5.133 10.403 1.000 2 B 93.551 1 ATOM 2242 C CE . MET 163 323 ? B -6.356 3.345 10.521 1.000 2 B 93.551 1 ATOM 2243 N N . THR 164 324 ? B -9.772 6.343 6.225 1.000 2 B 91.871 1 ATOM 2244 C CA . THR 164 324 ? B -10.586 5.900 5.098 1.000 2 B 91.871 1 ATOM 2245 C C . THR 164 324 ? B -9.948 6.313 3.775 1.000 2 B 91.871 1 ATOM 2246 O O . THR 164 324 ? B -10.550 6.148 2.712 1.000 2 B 91.871 1 ATOM 2247 C CB . THR 164 324 ? B -12.014 6.469 5.183 1.000 2 B 91.871 1 ATOM 2248 O OG1 . THR 164 324 ? B -11.949 7.898 5.262 1.000 2 B 91.871 1 ATOM 2249 C CG2 . THR 164 324 ? B -12.747 5.936 6.410 1.000 2 B 91.871 1 ATOM 2250 N N . HIS 165 325 ? B -8.774 6.949 3.833 1.000 2 B 83.694 1 ATOM 2251 C CA . HIS 165 325 ? B -8.116 7.280 2.574 1.000 2 B 83.694 1 ATOM 2252 C C . HIS 165 325 ? B -8.035 6.064 1.658 1.000 2 B 83.694 1 ATOM 2253 O O . HIS 165 325 ? B -7.657 4.975 2.095 1.000 2 B 83.694 1 ATOM 2254 C CB . HIS 165 325 ? B -6.714 7.836 2.833 1.000 2 B 83.694 1 ATOM 2255 C CG . HIS 165 325 ? B -6.039 8.357 1.604 1.000 2 B 83.694 1 ATOM 2256 N ND1 . HIS 165 325 ? B -6.406 9.539 0.998 1.000 2 B 83.694 1 ATOM 2257 C CD2 . HIS 165 325 ? B -5.017 7.857 0.871 1.000 2 B 83.694 1 ATOM 2258 C CE1 . HIS 165 325 ? B -5.638 9.743 -0.059 1.000 2 B 83.694 1 ATOM 2259 N NE2 . HIS 165 325 ? B -4.786 8.736 -0.158 1.000 2 B 83.694 1 ATOM 2260 N N . SER 166 326 ? B -8.676 6.183 0.472 1.000 2 B 73.101 1 ATOM 2261 C CA . SER 166 326 ? B -8.702 5.161 -0.569 1.000 2 B 73.101 1 ATOM 2262 C C . SER 166 326 ? B -7.324 4.973 -1.195 1.000 2 B 73.101 1 ATOM 2263 O O . SER 166 326 ? B -6.677 5.946 -1.588 1.000 2 B 73.101 1 ATOM 2264 C CB . SER 166 326 ? B -9.718 5.525 -1.653 1.000 2 B 73.101 1 ATOM 2265 O OG . SER 166 326 ? B -10.952 5.915 -1.076 1.000 2 B 73.101 1 ATOM 2266 N N . TRP 167 327 ? B -6.778 3.696 -1.095 1.000 2 B 70.941 1 ATOM 2267 C CA . TRP 167 327 ? B -5.485 3.251 -1.606 1.000 2 B 70.941 1 ATOM 2268 C C . TRP 167 327 ? B -5.581 2.882 -3.083 1.000 2 B 70.941 1 ATOM 2269 O O . TRP 167 327 ? B -6.637 2.452 -3.554 1.000 2 B 70.941 1 ATOM 2270 C CB . TRP 167 327 ? B -4.972 2.054 -0.801 1.000 2 B 70.941 1 ATOM 2271 C CG . TRP 167 327 ? B -4.658 2.373 0.630 1.000 2 B 70.941 1 ATOM 2272 C CD1 . TRP 167 327 ? B -5.456 2.151 1.718 1.000 2 B 70.941 1 ATOM 2273 C CD2 . TRP 167 327 ? B -3.460 2.978 1.128 1.000 2 B 70.941 1 ATOM 2274 N NE1 . TRP 167 327 ? B -4.825 2.580 2.863 1.000 2 B 70.941 1 ATOM 2275 C CE2 . TRP 167 327 ? B -3.600 3.091 2.529 1.000 2 B 70.941 1 ATOM 2276 C CE3 . TRP 167 327 ? B -2.281 3.434 0.525 1.000 2 B 70.941 1 ATOM 2277 C CZ2 . TRP 167 327 ? B -2.603 3.643 3.337 1.000 2 B 70.941 1 ATOM 2278 C CZ3 . TRP 167 327 ? B -1.290 3.983 1.330 1.000 2 B 70.941 1 ATOM 2279 C CH2 . TRP 167 327 ? B -1.459 4.082 2.721 1.000 2 B 70.941 1 ATOM 2280 N N . PRO 168 328 ? B -4.523 3.327 -3.860 1.000 2 B 75.238 1 ATOM 2281 C CA . PRO 168 328 ? B -4.553 2.828 -5.236 1.000 2 B 75.238 1 ATOM 2282 C C . PRO 168 328 ? B -4.685 1.308 -5.310 1.000 2 B 75.238 1 ATOM 2283 O O . PRO 168 328 ? B -4.366 0.610 -4.345 1.000 2 B 75.238 1 ATOM 2284 C CB . PRO 168 328 ? B -3.209 3.288 -5.808 1.000 2 B 75.238 1 ATOM 2285 C CG . PRO 168 328 ? B -2.399 3.676 -4.614 1.000 2 B 75.238 1 ATOM 2286 C CD . PRO 168 328 ? B -3.328 3.873 -3.450 1.000 2 B 75.238 1 ATOM 2287 N N . PRO 169 329 ? B -5.473 0.918 -6.354 1.000 2 B 76.689 1 ATOM 2288 C CA . PRO 169 329 ? B -5.598 -0.529 -6.545 1.000 2 B 76.689 1 ATOM 2289 C C . PRO 169 329 ? B -4.246 -1.238 -6.578 1.000 2 B 76.689 1 ATOM 2290 O O . PRO 169 329 ? B -3.227 -0.618 -6.891 1.000 2 B 76.689 1 ATOM 2291 C CB . PRO 169 329 ? B -6.309 -0.647 -7.895 1.000 2 B 76.689 1 ATOM 2292 C CG . PRO 169 329 ? B -6.075 0.668 -8.566 1.000 2 B 76.689 1 ATOM 2293 C CD . PRO 169 329 ? B -5.765 1.692 -7.513 1.000 2 B 76.689 1 ATOM 2294 N N . PRO 170 330 ? B -4.093 -2.519 -5.966 1.000 2 B 79.965 1 ATOM 2295 C CA . PRO 170 330 ? B -2.837 -3.272 -5.999 1.000 2 B 79.965 1 ATOM 2296 C C . PRO 170 330 ? B -2.293 -3.450 -7.414 1.000 2 B 79.965 1 ATOM 2297 O O . PRO 170 330 ? B -3.067 -3.526 -8.372 1.000 2 B 79.965 1 ATOM 2298 C CB . PRO 170 330 ? B -3.219 -4.622 -5.387 1.000 2 B 79.965 1 ATOM 2299 C CG . PRO 170 330 ? B -4.689 -4.747 -5.625 1.000 2 B 79.965 1 ATOM 2300 C CD . PRO 170 330 ? B -5.285 -3.369 -5.663 1.000 2 B 79.965 1 ATOM 2301 N N . LEU 171 331 ? B -0.985 -3.250 -7.476 1.000 2 B 81.011 1 ATOM 2302 C CA . LEU 171 331 ? B -0.301 -3.517 -8.737 1.000 2 B 81.011 1 ATOM 2303 C C . LEU 171 331 ? B -0.254 -5.014 -9.024 1.000 2 B 81.011 1 ATOM 2304 O O . LEU 171 331 ? B -0.330 -5.829 -8.102 1.000 2 B 81.011 1 ATOM 2305 C CB . LEU 171 331 ? B 1.120 -2.947 -8.706 1.000 2 B 81.011 1 ATOM 2306 C CG . LEU 171 331 ? B 1.238 -1.425 -8.599 1.000 2 B 81.011 1 ATOM 2307 C CD1 . LEU 171 331 ? B 2.686 -1.023 -8.341 1.000 2 B 81.011 1 ATOM 2308 C CD2 . LEU 171 331 ? B 0.710 -0.758 -9.864 1.000 2 B 81.011 1 ATOM 2309 N N . THR 172 332 ? B -0.505 -5.339 -10.284 1.000 2 B 82.127 1 ATOM 2310 C CA . THR 172 332 ? B -0.401 -6.728 -10.718 1.000 2 B 82.127 1 ATOM 2311 C C . THR 172 332 ? B 1.020 -7.047 -11.174 1.000 2 B 82.127 1 ATOM 2312 O O . THR 172 332 ? B 1.767 -6.149 -11.568 1.000 2 B 82.127 1 ATOM 2313 C CB . THR 172 332 ? B -1.390 -7.033 -11.858 1.000 2 B 82.127 1 ATOM 2314 O OG1 . THR 172 332 ? B -1.061 -6.226 -12.996 1.000 2 B 82.127 1 ATOM 2315 C CG2 . THR 172 332 ? B -2.825 -6.735 -11.437 1.000 2 B 82.127 1 ATOM 2316 N N . ALA 173 333 ? B 1.479 -8.335 -10.737 1.000 2 B 76.320 1 ATOM 2317 C CA . ALA 173 333 ? B 2.777 -8.841 -11.175 1.000 2 B 76.320 1 ATOM 2318 C C . ALA 173 333 ? B 2.922 -8.739 -12.691 1.000 2 B 76.320 1 ATOM 2319 O O . ALA 173 333 ? B 1.929 -8.789 -13.421 1.000 2 B 76.320 1 ATOM 2320 C CB . ALA 173 333 ? B 2.965 -10.287 -10.722 1.000 2 B 76.320 1 ATOM 2321 N N . ILE 174 334 ? B 4.011 -8.239 -13.193 1.000 2 B 72.840 1 ATOM 2322 C CA . ILE 174 334 ? B 4.380 -8.075 -14.595 1.000 2 B 72.840 1 ATOM 2323 C C . ILE 174 334 ? B 4.203 -9.400 -15.333 1.000 2 B 72.840 1 ATOM 2324 O O . ILE 174 334 ? B 3.837 -9.418 -16.511 1.000 2 B 72.840 1 ATOM 2325 C CB . ILE 174 334 ? B 5.832 -7.569 -14.742 1.000 2 B 72.840 1 ATOM 2326 C CG1 . ILE 174 334 ? B 5.992 -6.200 -14.073 1.000 2 B 72.840 1 ATOM 2327 C CG2 . ILE 174 334 ? B 6.236 -7.508 -16.219 1.000 2 B 72.840 1 ATOM 2328 C CD1 . ILE 174 334 ? B 7.436 -5.731 -13.957 1.000 2 B 72.840 1 ATOM 2329 N N . HIS 175 335 ? B 3.866 -10.500 -14.692 1.000 2 B 65.199 1 ATOM 2330 C CA . HIS 175 335 ? B 3.732 -11.761 -15.413 1.000 2 B 65.199 1 ATOM 2331 C C . HIS 175 335 ? B 2.271 -12.188 -15.509 1.000 2 B 65.199 1 ATOM 2332 O O . HIS 175 335 ? B 1.973 -13.293 -15.969 1.000 2 B 65.199 1 ATOM 2333 C CB . HIS 175 335 ? B 4.557 -12.856 -14.735 1.000 2 B 65.199 1 ATOM 2334 C CG . HIS 175 335 ? B 6.034 -12.658 -14.857 1.000 2 B 65.199 1 ATOM 2335 N ND1 . HIS 175 335 ? B 6.717 -12.860 -16.037 1.000 2 B 65.199 1 ATOM 2336 C CD2 . HIS 175 335 ? B 6.957 -12.272 -13.946 1.000 2 B 65.199 1 ATOM 2337 C CE1 . HIS 175 335 ? B 8.001 -12.608 -15.844 1.000 2 B 65.199 1 ATOM 2338 N NE2 . HIS 175 335 ? B 8.173 -12.249 -14.584 1.000 2 B 65.199 1 ATOM 2339 N N . THR 176 336 ? B 1.340 -11.210 -15.357 1.000 2 B 52.809 1 ATOM 2340 C CA . THR 176 336 ? B -0.012 -11.720 -15.555 1.000 2 B 52.809 1 ATOM 2341 C C . THR 176 336 ? B -0.433 -11.586 -17.015 1.000 2 B 52.809 1 ATOM 2342 O O . THR 176 336 ? B -0.384 -10.492 -17.582 1.000 2 B 52.809 1 ATOM 2343 C CB . THR 176 336 ? B -1.023 -10.985 -14.656 1.000 2 B 52.809 1 ATOM 2344 O OG1 . THR 176 336 ? B -0.477 -10.856 -13.338 1.000 2 B 52.809 1 ATOM 2345 C CG2 . THR 176 336 ? B -2.342 -11.747 -14.575 1.000 2 B 52.809 1 ATOM 2346 N N . PRO 177 337 ? B -0.112 -12.501 -17.863 1.000 2 B 49.864 1 ATOM 2347 C CA . PRO 177 337 ? B -0.746 -12.446 -19.183 1.000 2 B 49.864 1 ATOM 2348 C C . PRO 177 337 ? B -2.141 -11.829 -19.142 1.000 2 B 49.864 1 ATOM 2349 O O . PRO 177 337 ? B -2.936 -12.148 -18.255 1.000 2 B 49.864 1 ATOM 2350 C CB . PRO 177 337 ? B -0.811 -13.917 -19.603 1.000 2 B 49.864 1 ATOM 2351 C CG . PRO 177 337 ? B -0.538 -14.685 -18.351 1.000 2 B 49.864 1 ATOM 2352 C CD . PRO 177 337 ? B -0.006 -13.736 -17.316 1.000 2 B 49.864 1 ATOM 2353 N N . CYS 178 338 ? B -2.374 -10.543 -19.205 1.000 2 B 48.859 1 ATOM 2354 C CA . CYS 178 338 ? B -3.685 -9.981 -19.513 1.000 2 B 48.859 1 ATOM 2355 C C . CYS 178 338 ? B -4.233 -10.555 -20.814 1.000 2 B 48.859 1 ATOM 2356 O O . CYS 178 338 ? B -3.631 -10.383 -21.875 1.000 2 B 48.859 1 ATOM 2357 C CB . CYS 178 338 ? B -3.605 -8.458 -19.610 1.000 2 B 48.859 1 ATOM 2358 S SG . CYS 178 338 ? B -3.168 -7.650 -18.055 1.000 2 B 48.859 1 ATOM 2359 N N . LYS 179 339 ? B -4.196 -11.895 -20.994 1.000 2 B 43.127 1 ATOM 2360 C CA . LYS 179 339 ? B -5.023 -12.326 -22.117 1.000 2 B 43.127 1 ATOM 2361 C C . LYS 179 339 ? B -6.492 -11.986 -21.881 1.000 2 B 43.127 1 ATOM 2362 O O . LYS 179 339 ? B -7.113 -12.505 -20.950 1.000 2 B 43.127 1 ATOM 2363 C CB . LYS 179 339 ? B -4.865 -13.829 -22.354 1.000 2 B 43.127 1 ATOM 2364 C CG . LYS 179 339 ? B -3.535 -14.219 -22.982 1.000 2 B 43.127 1 ATOM 2365 C CD . LYS 179 339 ? B -3.519 -13.938 -24.479 1.000 2 B 43.127 1 ATOM 2366 C CE . LYS 179 339 ? B -2.144 -14.190 -25.082 1.000 2 B 43.127 1 ATOM 2367 N NZ . LYS 179 339 ? B -2.137 -13.967 -26.559 1.000 2 B 43.127 1 ATOM 2368 N N . THR 180 340 ? B -6.942 -10.821 -21.657 1.000 2 B 46.634 1 ATOM 2369 C CA . THR 180 340 ? B -8.354 -10.552 -21.905 1.000 2 B 46.634 1 ATOM 2370 C C . THR 180 340 ? B -8.640 -10.497 -23.403 1.000 2 B 46.634 1 ATOM 2371 O O . THR 180 340 ? B -8.050 -9.690 -24.124 1.000 2 B 46.634 1 ATOM 2372 C CB . THR 180 340 ? B -8.795 -9.231 -21.247 1.000 2 B 46.634 1 ATOM 2373 O OG1 . THR 180 340 ? B -8.148 -9.098 -19.975 1.000 2 B 46.634 1 ATOM 2374 C CG2 . THR 180 340 ? B -10.305 -9.196 -21.042 1.000 2 B 46.634 1 ATOM 2375 N N . GLU 181 341 ? B -8.437 -11.460 -24.202 1.000 2 B 40.110 1 ATOM 2376 C CA . GLU 181 341 ? B -9.273 -11.616 -25.389 1.000 2 B 40.110 1 ATOM 2377 C C . GLU 181 341 ? B -10.672 -11.051 -25.157 1.000 2 B 40.110 1 ATOM 2378 O O . GLU 181 341 ? B -11.305 -11.345 -24.141 1.000 2 B 40.110 1 ATOM 2379 C CB . GLU 181 341 ? B -9.362 -13.090 -25.793 1.000 2 B 40.110 1 ATOM 2380 C CG . GLU 181 341 ? B -9.937 -13.312 -27.185 1.000 2 B 40.110 1 ATOM 2381 C CD . GLU 181 341 ? B -10.494 -14.712 -27.388 1.000 2 B 40.110 1 ATOM 2382 O OE1 . GLU 181 341 ? B -11.624 -14.846 -27.909 1.000 2 B 40.110 1 ATOM 2383 O OE2 . GLU 181 341 ? B -9.795 -15.683 -27.021 1.000 2 B 40.110 1 ATOM 2384 N N . PRO 182 342 ? B -10.997 -9.812 -25.510 1.000 2 B 45.746 1 ATOM 2385 C CA . PRO 182 342 ? B -12.359 -9.272 -25.494 1.000 2 B 45.746 1 ATOM 2386 C C . PRO 182 342 ? B -13.421 -10.340 -25.742 1.000 2 B 45.746 1 ATOM 2387 O O . PRO 182 342 ? B -13.257 -11.186 -26.625 1.000 2 B 45.746 1 ATOM 2388 C CB . PRO 182 342 ? B -12.343 -8.244 -26.629 1.000 2 B 45.746 1 ATOM 2389 C CG . PRO 182 342 ? B -11.147 -8.601 -27.451 1.000 2 B 45.746 1 ATOM 2390 C CD . PRO 182 342 ? B -10.310 -9.578 -26.677 1.000 2 B 45.746 1 ATOM 2391 N N . SER 183 343 ? B -13.835 -11.175 -24.812 1.000 2 B 51.312 1 ATOM 2392 C CA . SER 183 343 ? B -15.087 -11.910 -24.669 1.000 2 B 51.312 1 ATOM 2393 C C . SER 183 343 ? B -16.151 -11.379 -25.624 1.000 2 B 51.312 1 ATOM 2394 O O . SER 183 343 ? B -16.510 -10.201 -25.569 1.000 2 B 51.312 1 ATOM 2395 C CB . SER 183 343 ? B -15.596 -11.829 -23.230 1.000 2 B 51.312 1 ATOM 2396 O OG . SER 183 343 ? B -16.779 -12.594 -23.070 1.000 2 B 51.312 1 ATOM 2397 N N . LYS 184 344 ? B -16.102 -11.489 -26.948 1.000 2 B 46.819 1 ATOM 2398 C CA . LYS 184 344 ? B -17.114 -11.588 -27.997 1.000 2 B 46.819 1 ATOM 2399 C C . LYS 184 344 ? B -18.222 -12.560 -27.602 1.000 2 B 46.819 1 ATOM 2400 O O . LYS 184 344 ? B -18.432 -13.575 -28.270 1.000 2 B 46.819 1 ATOM 2401 C CB . LYS 184 344 ? B -16.478 -12.027 -29.317 1.000 2 B 46.819 1 ATOM 2402 C CG . LYS 184 344 ? B -16.375 -10.918 -30.353 1.000 2 B 46.819 1 ATOM 2403 C CD . LYS 184 344 ? B -15.627 -11.382 -31.596 1.000 2 B 46.819 1 ATOM 2404 C CE . LYS 184 344 ? B -15.265 -10.212 -32.502 1.000 2 B 46.819 1 ATOM 2405 N NZ . LYS 184 344 ? B -15.341 -10.586 -33.946 1.000 2 B 46.819 1 ATOM 2406 N N . PHE 185 345 ? B -18.630 -12.591 -26.339 1.000 2 B 44.637 1 ATOM 2407 C CA . PHE 185 345 ? B -19.914 -13.281 -26.313 1.000 2 B 44.637 1 ATOM 2408 C C . PHE 185 345 ? B -21.006 -12.373 -25.760 1.000 2 B 44.637 1 ATOM 2409 O O . PHE 185 345 ? B -20.906 -11.892 -24.629 1.000 2 B 44.637 1 ATOM 2410 C CB . PHE 185 345 ? B -19.822 -14.561 -25.476 1.000 2 B 44.637 1 ATOM 2411 C CG . PHE 185 345 ? B -19.645 -15.811 -26.295 1.000 2 B 44.637 1 ATOM 2412 C CD1 . PHE 185 345 ? B -20.748 -16.541 -26.721 1.000 2 B 44.637 1 ATOM 2413 C CD2 . PHE 185 345 ? B -18.376 -16.255 -26.640 1.000 2 B 44.637 1 ATOM 2414 C CE1 . PHE 185 345 ? B -20.588 -17.699 -27.480 1.000 2 B 44.637 1 ATOM 2415 C CE2 . PHE 185 345 ? B -18.207 -17.411 -27.398 1.000 2 B 44.637 1 ATOM 2416 C CZ . PHE 185 345 ? B -19.315 -18.131 -27.816 1.000 2 B 44.637 1 ATOM 2417 N N . PRO 186 346 ? B -21.798 -11.580 -26.556 1.000 2 B 44.929 1 ATOM 2418 C CA . PRO 186 346 ? B -23.055 -10.930 -26.178 1.000 2 B 44.929 1 ATOM 2419 C C . PRO 186 346 ? B -24.017 -11.877 -25.463 1.000 2 B 44.929 1 ATOM 2420 O O . PRO 186 346 ? B -24.124 -13.049 -25.832 1.000 2 B 44.929 1 ATOM 2421 C CB . PRO 186 346 ? B -23.634 -10.475 -27.520 1.000 2 B 44.929 1 ATOM 2422 C CG . PRO 186 346 ? B -22.991 -11.363 -28.535 1.000 2 B 44.929 1 ATOM 2423 C CD . PRO 186 346 ? B -21.996 -12.245 -27.835 1.000 2 B 44.929 1 ATOM 2424 N N . PHE 187 347 ? B -23.915 -12.007 -24.181 1.000 2 B 37.919 1 ATOM 2425 C CA . PHE 187 347 ? B -24.878 -12.653 -23.297 1.000 2 B 37.919 1 ATOM 2426 C C . PHE 187 347 ? B -26.302 -12.434 -23.796 1.000 2 B 37.919 1 ATOM 2427 O O . PHE 187 347 ? B -26.710 -11.298 -24.046 1.000 2 B 37.919 1 ATOM 2428 C CB . PHE 187 347 ? B -24.736 -12.125 -21.866 1.000 2 B 37.919 1 ATOM 2429 C CG . PHE 187 347 ? B -23.587 -12.731 -21.107 1.000 2 B 37.919 1 ATOM 2430 C CD1 . PHE 187 347 ? B -23.720 -13.969 -20.490 1.000 2 B 37.919 1 ATOM 2431 C CD2 . PHE 187 347 ? B -22.373 -12.063 -21.011 1.000 2 B 37.919 1 ATOM 2432 C CE1 . PHE 187 347 ? B -22.658 -14.533 -19.786 1.000 2 B 37.919 1 ATOM 2433 C CE2 . PHE 187 347 ? B -21.308 -12.620 -20.309 1.000 2 B 37.919 1 ATOM 2434 C CZ . PHE 187 347 ? B -21.452 -13.855 -19.697 1.000 2 B 37.919 1 ATOM 2435 N N . PRO 188 348 ? B -26.979 -13.338 -24.667 1.000 2 B 47.571 1 ATOM 2436 C CA . PRO 188 348 ? B -28.422 -13.132 -24.804 1.000 2 B 47.571 1 ATOM 2437 C C . PRO 188 348 ? B -29.171 -13.303 -23.485 1.000 2 B 47.571 1 ATOM 2438 O O . PRO 188 348 ? B -28.874 -14.222 -22.717 1.000 2 B 47.571 1 ATOM 2439 C CB . PRO 188 348 ? B -28.838 -14.207 -25.812 1.000 2 B 47.571 1 ATOM 2440 C CG . PRO 188 348 ? B -27.599 -15.009 -26.047 1.000 2 B 47.571 1 ATOM 2441 C CD . PRO 188 348 ? B -26.519 -14.496 -25.138 1.000 2 B 47.571 1 ATOM 2442 N N . THR 189 349 ? B -29.321 -12.313 -22.634 1.000 2 B 41.612 1 ATOM 2443 C CA . THR 189 349 ? B -30.271 -12.205 -21.532 1.000 2 B 41.612 1 ATOM 2444 C C . THR 189 349 ? B -31.630 -12.774 -21.932 1.000 2 B 41.612 1 ATOM 2445 O O . THR 189 349 ? B -32.093 -12.558 -23.054 1.000 2 B 41.612 1 ATOM 2446 C CB . THR 189 349 ? B -30.437 -10.743 -21.079 1.000 2 B 41.612 1 ATOM 2447 O OG1 . THR 189 349 ? B -30.471 -9.892 -22.232 1.000 2 B 41.612 1 ATOM 2448 C CG2 . THR 189 349 ? B -29.285 -10.312 -20.178 1.000 2 B 41.612 1 ATOM 2449 N N . LYS 190 350 ? B -31.856 -14.056 -21.788 1.000 2 B 36.417 1 ATOM 2450 C CA . LYS 190 350 ? B -33.093 -14.767 -21.480 1.000 2 B 36.417 1 ATOM 2451 C C . LYS 190 350 ? B -33.900 -14.031 -20.415 1.000 2 B 36.417 1 ATOM 2452 O O . LYS 190 350 ? B -33.361 -13.650 -19.373 1.000 2 B 36.417 1 ATOM 2453 C CB . LYS 190 350 ? B -32.792 -16.194 -21.017 1.000 2 B 36.417 1 ATOM 2454 C CG . LYS 190 350 ? B -32.397 -17.139 -22.142 1.000 2 B 36.417 1 ATOM 2455 C CD . LYS 190 350 ? B -33.211 -18.426 -22.102 1.000 2 B 36.417 1 ATOM 2456 C CE . LYS 190 350 ? B -32.833 -19.363 -23.241 1.000 2 B 36.417 1 ATOM 2457 N NZ . LYS 190 350 ? B -33.651 -20.613 -23.225 1.000 2 B 36.417 1 ATOM 2458 N N . GLU 191 351 ? B -34.857 -13.204 -20.812 1.000 2 B 36.188 1 ATOM 2459 C CA . GLU 191 351 ? B -36.169 -13.376 -20.196 1.000 2 B 36.188 1 ATOM 2460 C C . GLU 191 351 ? B -37.057 -12.159 -20.439 1.000 2 B 36.188 1 ATOM 2461 O O . GLU 191 351 ? B -36.635 -11.022 -20.216 1.000 2 B 36.188 1 ATOM 2462 C CB . GLU 191 351 ? B -36.028 -13.633 -18.694 1.000 2 B 36.188 1 ATOM 2463 C CG . GLU 191 351 ? B -35.280 -14.915 -18.356 1.000 2 B 36.188 1 ATOM 2464 C CD . GLU 191 351 ? B -36.036 -15.814 -17.391 1.000 2 B 36.188 1 ATOM 2465 O OE1 . GLU 191 351 ? B -35.749 -17.032 -17.344 1.000 2 B 36.188 1 ATOM 2466 O OE2 . GLU 191 351 ? B -36.923 -15.297 -16.676 1.000 2 B 36.188 1 ATOM 2467 N N . SER 192 352 ? B -37.964 -12.211 -21.417 1.000 2 B 36.633 1 ATOM 2468 C CA . SER 192 352 ? B -39.367 -12.123 -21.029 1.000 2 B 36.633 1 ATOM 2469 C C . SER 192 352 ? B -40.211 -11.507 -22.140 1.000 2 B 36.633 1 ATOM 2470 O O . SER 192 352 ? B -39.872 -10.447 -22.669 1.000 2 B 36.633 1 ATOM 2471 C CB . SER 192 352 ? B -39.519 -11.302 -19.748 1.000 2 B 36.633 1 ATOM 2472 O OG . SER 192 352 ? B -39.036 -12.023 -18.627 1.000 2 B 36.633 1 ATOM 2473 N N . GLN 193 353 ? B -40.861 -12.290 -22.955 1.000 2 B 35.139 1 ATOM 2474 C CA . GLN 193 353 ? B -42.317 -12.219 -22.878 1.000 2 B 35.139 1 ATOM 2475 C C . GLN 193 353 ? B -42.956 -12.562 -24.220 1.000 2 B 35.139 1 ATOM 2476 O O . GLN 193 353 ? B -42.630 -11.955 -25.242 1.000 2 B 35.139 1 ATOM 2477 C CB . GLN 193 353 ? B -42.763 -10.828 -22.424 1.000 2 B 35.139 1 ATOM 2478 C CG . GLN 193 353 ? B -43.171 -10.761 -20.958 1.000 2 B 35.139 1 ATOM 2479 C CD . GLN 193 353 ? B -43.976 -9.518 -20.630 1.000 2 B 35.139 1 ATOM 2480 O OE1 . GLN 193 353 ? B -44.510 -8.853 -21.523 1.000 2 B 35.139 1 ATOM 2481 N NE2 . GLN 193 353 ? B -44.069 -9.194 -19.344 1.000 2 B 35.139 1 ATOM 2482 N N . GLN 194 354 ? B -42.974 -13.806 -24.577 1.000 2 B 36.146 1 ATOM 2483 C CA . GLN 194 354 ? B -44.205 -14.515 -24.911 1.000 2 B 36.146 1 ATOM 2484 C C . GLN 194 354 ? B -45.418 -13.597 -24.795 1.000 2 B 36.146 1 ATOM 2485 O O . GLN 194 354 ? B -45.639 -12.982 -23.749 1.000 2 B 36.146 1 ATOM 2486 C CB . GLN 194 354 ? B -44.382 -15.737 -24.009 1.000 2 B 36.146 1 ATOM 2487 C CG . GLN 194 354 ? B -43.800 -17.019 -24.588 1.000 2 B 36.146 1 ATOM 2488 C CD . GLN 194 354 ? B -44.032 -18.225 -23.696 1.000 2 B 36.146 1 ATOM 2489 O OE1 . GLN 194 354 ? B -44.398 -18.086 -22.525 1.000 2 B 36.146 1 ATOM 2490 N NE2 . GLN 194 354 ? B -43.822 -19.417 -24.244 1.000 2 B 36.146 1 ATOM 2491 N N . SER 195 355 ? B -45.799 -12.657 -25.664 1.000 2 B 41.528 1 ATOM 2492 C CA . SER 195 355 ? B -47.216 -12.370 -25.864 1.000 2 B 41.528 1 ATOM 2493 C C . SER 195 355 ? B -47.514 -12.047 -27.324 1.000 2 B 41.528 1 ATOM 2494 O O . SER 195 355 ? B -46.868 -11.182 -27.919 1.000 2 B 41.528 1 ATOM 2495 C CB . SER 195 355 ? B -47.658 -11.207 -24.975 1.000 2 B 41.528 1 ATOM 2496 O OG . SER 195 355 ? B -47.175 -9.975 -25.482 1.000 2 B 41.528 1 ATOM 2497 N N . ASN 196 356 ? B -47.668 -12.974 -28.270 1.000 2 B 40.175 1 ATOM 2498 C CA . ASN 196 356 ? B -48.857 -12.783 -29.094 1.000 2 B 40.175 1 ATOM 2499 C C . ASN 196 356 ? B -48.825 -13.668 -30.337 1.000 2 B 40.175 1 ATOM 2500 O O . ASN 196 356 ? B -48.060 -13.410 -31.269 1.000 2 B 40.175 1 ATOM 2501 C CB . ASN 196 356 ? B -49.004 -11.313 -29.492 1.000 2 B 40.175 1 ATOM 2502 C CG . ASN 196 356 ? B -49.752 -10.499 -28.455 1.000 2 B 40.175 1 ATOM 2503 O OD1 . ASN 196 356 ? B -49.177 -10.073 -27.450 1.000 2 B 40.175 1 ATOM 2504 N ND2 . ASN 196 356 ? B -51.039 -10.276 -28.692 1.000 2 B 40.175 1 ATOM 2505 N N . PHE 197 357 ? B -48.987 -14.984 -30.254 1.000 2 B 37.493 1 ATOM 2506 C CA . PHE 197 357 ? B -49.592 -15.596 -31.430 1.000 2 B 37.493 1 ATOM 2507 C C . PHE 197 357 ? B -50.681 -16.584 -31.027 1.000 2 B 37.493 1 ATOM 2508 O O . PHE 197 357 ? B -50.431 -17.509 -30.251 1.000 2 B 37.493 1 ATOM 2509 C CB . PHE 197 357 ? B -48.529 -16.304 -32.277 1.000 2 B 37.493 1 ATOM 2510 C CG . PHE 197 357 ? B -47.815 -15.393 -33.239 1.000 2 B 37.493 1 ATOM 2511 C CD1 . PHE 197 357 ? B -48.365 -15.101 -34.481 1.000 2 B 37.493 1 ATOM 2512 C CD2 . PHE 197 357 ? B -46.592 -14.829 -32.900 1.000 2 B 37.493 1 ATOM 2513 C CE1 . PHE 197 357 ? B -47.706 -14.259 -35.373 1.000 2 B 37.493 1 ATOM 2514 C CE2 . PHE 197 357 ? B -45.927 -13.987 -33.787 1.000 2 B 37.493 1 ATOM 2515 C CZ . PHE 197 357 ? B -46.485 -13.704 -35.023 1.000 2 B 37.493 1 ATOM 2516 N N . GLY 198 358 ? B -51.934 -16.130 -30.785 1.000 2 B 35.660 1 ATOM 2517 C CA . GLY 198 358 ? B -52.989 -16.976 -31.320 1.000 2 B 35.660 1 ATOM 2518 C C . GLY 198 358 ? B -54.378 -16.404 -31.108 1.000 2 B 35.660 1 ATOM 2519 O O . GLY 198 358 ? B -54.782 -16.145 -29.973 1.000 2 B 35.660 1 ATOM 2520 N N . THR 199 359 ? B -54.897 -15.493 -31.928 1.000 2 B 33.970 1 ATOM 2521 C CA . THR 199 359 ? B -56.260 -15.537 -32.444 1.000 2 B 33.970 1 ATOM 2522 C C . THR 199 359 ? B -56.381 -14.714 -33.724 1.000 2 B 33.970 1 ATOM 2523 O O . THR 199 359 ? B -55.832 -13.614 -33.815 1.000 2 B 33.970 1 ATOM 2524 C CB . THR 199 359 ? B -57.269 -15.020 -31.402 1.000 2 B 33.970 1 ATOM 2525 O OG1 . THR 199 359 ? B -56.558 -14.557 -30.247 1.000 2 B 33.970 1 ATOM 2526 C CG2 . THR 199 359 ? B -58.237 -16.120 -30.981 1.000 2 B 33.970 1 ATOM 2527 N N . GLY 200 360 ? B -56.312 -15.380 -34.968 1.000 2 B 36.768 1 ATOM 2528 C CA . GLY 200 360 ? B -57.049 -15.253 -36.215 1.000 2 B 36.768 1 ATOM 2529 C C . GLY 200 360 ? B -56.354 -15.914 -37.390 1.000 2 B 36.768 1 ATOM 2530 O O . GLY 200 360 ? B -56.997 -16.263 -38.382 1.000 2 B 36.768 1 loop_ _atom_type.symbol C N O S loop_ _ma_entry_associated_files.id _ma_entry_associated_files.entry_id _ma_entry_associated_files.file_url _ma_entry_associated_files.file_type _ma_entry_associated_files.file_format _ma_entry_associated_files.file_content _ma_entry_associated_files.details 1 ma-t3vr3-023 https://modelarchive.org/api/projects/ma-t3vr3-023?type=materials_procedures__accompanying_data_file_name archive zip 'archive with multiple files' . loop_ _ma_associated_archive_file_details.id _ma_associated_archive_file_details.archive_file_id _ma_associated_archive_file_details.file_path _ma_associated_archive_file_details.file_format _ma_associated_archive_file_details.file_content _ma_associated_archive_file_details.description _ma_associated_archive_file_details.data_id 1 1 ma-t3vr3-023_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error and contact probability' . 2 1 O00472-D5_Q9UHB7-D2.i95.fas fasta 'multiple sequence alignments' 'Paired MSAs' 4 loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.description _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.type_other_details _ma_qa_metric.software_group_id 1 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT global . . 2 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT local . . 3 PAE 'Predicted aligned error (in Angstroms)' PAE local-pairwise . . 4 'contact probability' 'Contact probability of a pairwise interaction in [0,1]' 'contact probability' local-pairwise . . loop_ _ma_qa_metric_global.ordinal_id _ma_qa_metric_global.model_id _ma_qa_metric_global.metric_id _ma_qa_metric_global.metric_value 1 1 1 63.962 loop_ _ma_qa_metric_local.ordinal_id _ma_qa_metric_local.model_id _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value 1 1 A 1 LEU 2 85.129 2 1 A 2 PRO 2 93.813 3 1 A 3 ASP 2 96.726 4 1 A 4 TYR 2 97.551 5 1 A 5 LEU 2 97.508 6 1 A 6 ILE 2 97.421 7 1 A 7 LYS 2 97.518 8 1 A 8 TYR 2 98.094 9 1 A 9 ILE 2 97.524 10 1 A 10 ALA 2 97.895 11 1 A 11 ILE 2 98.255 12 1 A 12 VAL 2 97.306 13 1 A 13 SER 2 97.702 14 1 A 14 TYR 2 97.649 15 1 A 15 GLU 2 98.350 16 1 A 16 GLN 2 98.422 17 1 A 17 ARG 2 98.326 18 1 A 18 GLN 2 98.419 19 1 A 19 ASN 2 98.430 20 1 A 20 TYR 2 98.564 21 1 A 21 LYS 2 98.276 22 1 A 22 ASP 2 98.334 23 1 A 23 ASP 2 98.148 24 1 A 24 PHE 2 98.438 25 1 A 25 ASN 2 97.950 26 1 A 26 ALA 2 98.062 27 1 A 27 GLU 2 97.639 28 1 A 28 TYR 2 97.768 29 1 A 29 ASP 2 97.569 30 1 A 30 GLU 2 97.883 31 1 A 31 TYR 2 97.817 32 1 A 32 ARG 2 97.505 33 1 A 33 ALA 2 96.917 34 1 A 34 LEU 2 96.500 35 1 A 35 HIS 2 96.074 36 1 A 36 ALA 2 95.513 37 1 A 37 ARG 2 94.687 38 1 A 38 MET 2 94.584 39 1 A 39 GLU 2 94.144 40 1 A 40 THR 2 94.639 41 1 A 41 VAL 2 94.533 42 1 A 42 ALA 2 94.949 43 1 A 43 ARG 2 95.571 44 1 A 44 ARG 2 96.213 45 1 A 45 PHE 2 96.979 46 1 A 46 ILE 2 96.371 47 1 A 47 LYS 2 97.076 48 1 A 48 LEU 2 97.261 49 1 A 49 ASP 2 96.023 50 1 A 50 ALA 2 96.575 51 1 A 51 GLN 2 96.588 52 1 A 52 ARG 2 94.668 53 1 A 53 LYS 2 94.337 54 1 A 54 ARG 2 95.923 55 1 A 55 LEU 2 95.933 56 1 A 56 SER 2 94.748 57 1 A 57 PRO 2 92.002 58 1 A 58 GLY 2 90.520 59 1 A 59 SER 2 96.597 60 1 A 60 LYS 2 96.735 61 1 A 61 GLU 2 96.772 62 1 A 62 TYR 2 96.206 63 1 A 63 GLN 2 95.631 64 1 A 64 ASN 2 96.896 65 1 A 65 VAL 2 96.783 66 1 A 66 HIS 2 95.740 67 1 A 67 GLU 2 96.111 68 1 A 68 GLU 2 97.345 69 1 A 69 VAL 2 97.097 70 1 A 70 LEU 2 96.587 71 1 A 71 GLN 2 96.942 72 1 A 72 GLU 2 96.428 73 1 A 73 TYR 2 95.571 74 1 A 74 GLN 2 95.289 75 1 A 75 LYS 2 96.066 76 1 A 76 ILE 2 94.733 77 1 A 77 LYS 2 92.625 78 1 A 78 GLN 2 94.388 79 1 A 79 SER 2 94.314 80 1 A 80 SER 2 91.373 81 1 A 81 PRO 2 92.417 82 1 A 82 ASN 2 94.567 83 1 A 83 TYR 2 93.251 84 1 A 84 HIS 2 92.871 85 1 A 85 GLU 2 95.865 86 1 A 86 GLU 2 95.179 87 1 A 87 LYS 2 94.400 88 1 A 88 TYR 2 95.212 89 1 A 89 ARG 2 97.037 90 1 A 90 CYS 2 96.486 91 1 A 91 GLU 2 95.354 92 1 A 92 TYR 2 97.258 93 1 A 93 LEU 2 97.853 94 1 A 94 HIS 2 97.485 95 1 A 95 ASN 2 97.404 96 1 A 96 LYS 2 98.265 97 1 A 97 LEU 2 98.458 98 1 A 98 ALA 2 98.046 99 1 A 99 HIS 2 98.399 100 1 A 100 ILE 2 98.397 101 1 A 101 LYS 2 98.028 102 1 A 102 ARG 2 98.292 103 1 A 103 LEU 2 98.492 104 1 A 104 ILE 2 98.143 105 1 A 105 GLY 2 97.127 106 1 A 106 GLU 2 97.634 107 1 A 107 PHE 2 97.485 108 1 A 108 ASP 2 96.182 109 1 A 109 GLN 2 96.107 110 1 A 110 GLN 2 95.257 111 1 A 111 GLN 2 93.129 112 1 A 112 ALA 2 93.046 113 1 A 113 GLU 2 92.301 114 1 A 114 SER 2 87.603 115 1 A 115 TRP 2 76.183 116 1 A 116 SER 2 67.563 117 1 B 1 SER 2 36.563 118 1 B 2 SER 2 36.893 119 1 B 3 SER 2 42.655 120 1 B 4 ARG 2 41.570 121 1 B 5 LYS 2 51.826 122 1 B 6 LYS 2 43.598 123 1 B 7 GLY 2 47.466 124 1 B 8 GLN 2 37.293 125 1 B 9 HIS 2 40.700 126 1 B 10 GLY 2 32.891 127 1 B 11 SER 2 44.527 128 1 B 12 GLU 2 37.891 129 1 B 13 HIS 2 46.325 130 1 B 14 SER 2 40.068 131 1 B 15 LYS 2 36.599 132 1 B 16 SER 2 32.400 133 1 B 17 ARG 2 38.145 134 1 B 18 SER 2 39.825 135 1 B 19 SER 2 37.173 136 1 B 20 SER 2 37.332 137 1 B 21 PRO 2 42.654 138 1 B 22 GLY 2 42.236 139 1 B 23 LYS 2 33.431 140 1 B 24 PRO 2 47.807 141 1 B 25 GLN 2 39.953 142 1 B 26 ALA 2 35.626 143 1 B 27 VAL 2 33.785 144 1 B 28 SER 2 41.941 145 1 B 29 SER 2 33.741 146 1 B 30 LEU 2 42.746 147 1 B 31 ASN 2 33.410 148 1 B 32 SER 2 42.933 149 1 B 33 SER 2 39.515 150 1 B 34 HIS 2 45.535 151 1 B 35 SER 2 39.878 152 1 B 36 ARG 2 33.871 153 1 B 37 SER 2 46.639 154 1 B 38 HIS 2 37.770 155 1 B 39 GLY 2 36.575 156 1 B 40 ASN 2 35.919 157 1 B 41 ASP 2 34.728 158 1 B 42 HIS 2 39.266 159 1 B 43 HIS 2 37.904 160 1 B 44 SER 2 38.254 161 1 B 45 LYS 2 37.626 162 1 B 46 GLU 2 36.534 163 1 B 47 HIS 2 37.169 164 1 B 48 GLN 2 33.195 165 1 B 49 ARG 2 36.716 166 1 B 50 SER 2 39.792 167 1 B 51 LYS 2 37.364 168 1 B 52 SER 2 40.045 169 1 B 53 PRO 2 49.652 170 1 B 54 ARG 2 42.035 171 1 B 55 ASP 2 39.569 172 1 B 56 PRO 2 45.928 173 1 B 57 ASP 2 40.999 174 1 B 58 ALA 2 44.918 175 1 B 59 ASN 2 43.650 176 1 B 60 TRP 2 37.764 177 1 B 61 ASP 2 43.339 178 1 B 62 SER 2 39.063 179 1 B 63 PRO 2 46.997 180 1 B 64 SER 2 46.157 181 1 B 65 ARG 2 43.430 182 1 B 66 VAL 2 46.459 183 1 B 67 PRO 2 38.576 184 1 B 68 PHE 2 41.182 185 1 B 69 SER 2 42.159 186 1 B 70 SER 2 37.289 187 1 B 71 GLY 2 38.470 188 1 B 72 GLN 2 37.120 189 1 B 73 HIS 2 38.343 190 1 B 74 SER 2 38.527 191 1 B 75 THR 2 32.087 192 1 B 76 GLN 2 36.424 193 1 B 77 SER 2 32.878 194 1 B 78 PHE 2 37.112 195 1 B 79 PRO 2 44.010 196 1 B 80 PRO 2 44.668 197 1 B 81 SER 2 37.598 198 1 B 82 LEU 2 45.077 199 1 B 83 MET 2 34.864 200 1 B 84 SER 2 36.075 201 1 B 85 LYS 2 37.577 202 1 B 86 SER 2 31.362 203 1 B 87 ASN 2 42.139 204 1 B 88 SER 2 41.993 205 1 B 89 MET 2 41.057 206 1 B 90 LEU 2 46.819 207 1 B 91 GLN 2 38.917 208 1 B 92 LYS 2 45.898 209 1 B 93 PRO 2 45.870 210 1 B 94 THR 2 49.628 211 1 B 95 ALA 2 58.776 212 1 B 96 TYR 2 47.725 213 1 B 97 VAL 2 60.844 214 1 B 98 ARG 2 59.901 215 1 B 99 PRO 2 63.109 216 1 B 100 MET 2 46.302 217 1 B 101 ASP 2 66.468 218 1 B 102 GLY 2 41.597 219 1 B 103 GLN 2 43.631 220 1 B 104 GLU 2 45.561 221 1 B 105 SER 2 47.901 222 1 B 106 MET 2 44.400 223 1 B 107 GLU 2 31.148 224 1 B 108 PRO 2 43.678 225 1 B 109 LYS 2 31.951 226 1 B 110 LEU 2 45.206 227 1 B 111 SER 2 36.592 228 1 B 112 SER 2 35.878 229 1 B 113 GLU 2 34.977 230 1 B 114 HIS 2 38.703 231 1 B 115 TYR 2 25.900 232 1 B 116 SER 2 37.967 233 1 B 117 SER 2 32.437 234 1 B 118 GLN 2 44.336 235 1 B 119 SER 2 33.418 236 1 B 120 HIS 2 33.087 237 1 B 121 GLY 2 30.822 238 1 B 122 ASN 2 32.080 239 1 B 123 SER 2 34.380 240 1 B 124 MET 2 34.235 241 1 B 125 THR 2 42.584 242 1 B 126 GLU 2 36.203 243 1 B 127 LEU 2 36.822 244 1 B 128 LYS 2 39.233 245 1 B 129 PRO 2 44.560 246 1 B 130 SER 2 34.903 247 1 B 131 SER 2 42.964 248 1 B 132 LYS 2 32.256 249 1 B 133 ALA 2 42.883 250 1 B 134 HIS 2 39.582 251 1 B 135 LEU 2 40.383 252 1 B 136 THR 2 37.217 253 1 B 137 LYS 2 39.724 254 1 B 138 LEU 2 40.666 255 1 B 139 LYS 2 43.976 256 1 B 140 ILE 2 46.525 257 1 B 141 PRO 2 40.133 258 1 B 142 SER 2 41.552 259 1 B 143 GLN 2 34.315 260 1 B 144 PRO 2 39.486 261 1 B 145 LEU 2 39.168 262 1 B 146 ASP 2 38.191 263 1 B 147 ALA 2 39.100 264 1 B 148 SER 2 43.573 265 1 B 149 ALA 2 45.307 266 1 B 150 SER 2 41.765 267 1 B 151 GLY 2 48.241 268 1 B 152 ASP 2 50.529 269 1 B 153 VAL 2 50.953 270 1 B 154 SER 2 71.253 271 1 B 155 CYS 2 90.103 272 1 B 156 VAL 2 93.150 273 1 B 157 ASP 2 93.237 274 1 B 158 GLU 2 93.931 275 1 B 159 ILE 2 94.798 276 1 B 160 LEU 2 95.195 277 1 B 161 LYS 2 93.230 278 1 B 162 GLU 2 92.417 279 1 B 163 MET 2 93.551 280 1 B 164 THR 2 91.871 281 1 B 165 HIS 2 83.694 282 1 B 166 SER 2 73.101 283 1 B 167 TRP 2 70.941 284 1 B 168 PRO 2 75.238 285 1 B 169 PRO 2 76.689 286 1 B 170 PRO 2 79.965 287 1 B 171 LEU 2 81.011 288 1 B 172 THR 2 82.127 289 1 B 173 ALA 2 76.320 290 1 B 174 ILE 2 72.840 291 1 B 175 HIS 2 65.199 292 1 B 176 THR 2 52.809 293 1 B 177 PRO 2 49.864 294 1 B 178 CYS 2 48.859 295 1 B 179 LYS 2 43.127 296 1 B 180 THR 2 46.634 297 1 B 181 GLU 2 40.110 298 1 B 182 PRO 2 45.746 299 1 B 183 SER 2 51.312 300 1 B 184 LYS 2 46.819 301 1 B 185 PHE 2 44.637 302 1 B 186 PRO 2 44.929 303 1 B 187 PHE 2 37.919 304 1 B 188 PRO 2 47.571 305 1 B 189 THR 2 41.612 306 1 B 190 LYS 2 36.417 307 1 B 191 GLU 2 36.188 308 1 B 192 SER 2 36.633 309 1 B 193 GLN 2 35.139 310 1 B 194 GLN 2 36.146 311 1 B 195 SER 2 41.528 312 1 B 196 ASN 2 40.175 313 1 B 197 PHE 2 37.493 314 1 B 198 GLY 2 35.660 315 1 B 199 THR 2 33.970 316 1 B 200 GLY 2 36.768 _database_2.database_id ModelArchive _database_2.database_code ma-t3vr3-023 _database_2.pdbx_DOI 10.5452/ma-t3vr3-023 _pdbx_database_status.entry_id ma-t3vr3-023 _pdbx_database_status.date_coordinates 2022-09-28:22:27 _pdbx_database_status.status_code REL loop_ _pdbx_contact_author.id _pdbx_contact_author.name_salutation _pdbx_contact_author.name_first _pdbx_contact_author.name_last _pdbx_contact_author.name_mi _pdbx_contact_author.email _pdbx_contact_author.address_1 _pdbx_contact_author.address_2 _pdbx_contact_author.address_3 5 Prof. Qian Cong . Qian.Cong@UTSouthwestern.edu 'University of Texas Southwestern Medical Center' . . loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2022-12-21 2 'Structure model' 1 1 2023-07-19 3 'Structure model' 1 2 2023-07-25 loop_ _pdbx_audit_revision_details.ordinal _pdbx_audit_revision_details.revision_ordinal _pdbx_audit_revision_details.data_content_type _pdbx_audit_revision_details.provider _pdbx_audit_revision_details.type _pdbx_audit_revision_details.description 1 1 'Structure model' repository 'Initial release' ? 2 3 'Structure model' repository Remediation 'Format compliance remediation' loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' Other 2 3 'Structure model' Other 3 3 'Structure model' 'Version format compliance' loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' exptl 2 3 'Structure model' ma_data 3 3 'Structure model' ma_associated_archive_file_details 4 3 'Structure model' audit_conform loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_exptl.entry_id' 2 2 'Structure model' '_exptl.method' 3 3 'Structure model' '_ma_data.content_type' 4 3 'Structure model' '_ma_data.content_type_other_details' 5 3 'Structure model' '_ma_associated_archive_file_details.data_id' 6 3 'Structure model' '_audit_conform.dict_location' 7 3 'Structure model' '_audit_conform.dict_version'