data_ma-t3vr3-024 _entry.id ma-t3vr3-024 _entry.ma_collection_id ma-t3vr3 _struct.entry_id ma-t3vr3-024 _struct.pdbx_model_details ;Predicted interaction between RNA polymerase II elongation factor ELL2 (residue 525 - 640) and AF4/FMR2 family member 4 (residue 321 - 520). 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 (321-520)' _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; 321 - 520)' 25143.824 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 . 321 520 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 ;KEMTHSWPPPLTAIHTPCKTEPSKFPFPTKESQQSNFGTGEQKRYNPSKTSNGHQSKSMLKDDLKLSSSE DSDGEQDCDKTMPRSTPGSNSEPSHHNSEGADNSRDDSSSHSGSESSSGSDSESESSSSDSEANEPSQSA SPEPEPPPTNKWQLDNWLNKVNPHKVSPASSVDSNIPSSQGYKKEGREQGTGNSYTDTSG ; ;KEMTHSWPPPLTAIHTPCKTEPSKFPFPTKESQQSNFGTGEQKRYNPSKTSNGHQSKSMLKDDLKLSSSE DSDGEQDCDKTMPRSTPGSNSEPSHHNSEGADNSRDDSSSHSGSESSSGSDSESESSSSDSEANEPSQSA SPEPEPPPTNKWQLDNWLNKVNPHKVSPASSVDSNIPSSQGYKKEGREQGTGNSYTDTSG ; 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 LYS . 2 2 GLU . 2 3 MET . 2 4 THR . 2 5 HIS . 2 6 SER . 2 7 TRP . 2 8 PRO . 2 9 PRO . 2 10 PRO . 2 11 LEU . 2 12 THR . 2 13 ALA . 2 14 ILE . 2 15 HIS . 2 16 THR . 2 17 PRO . 2 18 CYS . 2 19 LYS . 2 20 THR . 2 21 GLU . 2 22 PRO . 2 23 SER . 2 24 LYS . 2 25 PHE . 2 26 PRO . 2 27 PHE . 2 28 PRO . 2 29 THR . 2 30 LYS . 2 31 GLU . 2 32 SER . 2 33 GLN . 2 34 GLN . 2 35 SER . 2 36 ASN . 2 37 PHE . 2 38 GLY . 2 39 THR . 2 40 GLY . 2 41 GLU . 2 42 GLN . 2 43 LYS . 2 44 ARG . 2 45 TYR . 2 46 ASN . 2 47 PRO . 2 48 SER . 2 49 LYS . 2 50 THR . 2 51 SER . 2 52 ASN . 2 53 GLY . 2 54 HIS . 2 55 GLN . 2 56 SER . 2 57 LYS . 2 58 SER . 2 59 MET . 2 60 LEU . 2 61 LYS . 2 62 ASP . 2 63 ASP . 2 64 LEU . 2 65 LYS . 2 66 LEU . 2 67 SER . 2 68 SER . 2 69 SER . 2 70 GLU . 2 71 ASP . 2 72 SER . 2 73 ASP . 2 74 GLY . 2 75 GLU . 2 76 GLN . 2 77 ASP . 2 78 CYS . 2 79 ASP . 2 80 LYS . 2 81 THR . 2 82 MET . 2 83 PRO . 2 84 ARG . 2 85 SER . 2 86 THR . 2 87 PRO . 2 88 GLY . 2 89 SER . 2 90 ASN . 2 91 SER . 2 92 GLU . 2 93 PRO . 2 94 SER . 2 95 HIS . 2 96 HIS . 2 97 ASN . 2 98 SER . 2 99 GLU . 2 100 GLY . 2 101 ALA . 2 102 ASP . 2 103 ASN . 2 104 SER . 2 105 ARG . 2 106 ASP . 2 107 ASP . 2 108 SER . 2 109 SER . 2 110 SER . 2 111 HIS . 2 112 SER . 2 113 GLY . 2 114 SER . 2 115 GLU . 2 116 SER . 2 117 SER . 2 118 SER . 2 119 GLY . 2 120 SER . 2 121 ASP . 2 122 SER . 2 123 GLU . 2 124 SER . 2 125 GLU . 2 126 SER . 2 127 SER . 2 128 SER . 2 129 SER . 2 130 ASP . 2 131 SER . 2 132 GLU . 2 133 ALA . 2 134 ASN . 2 135 GLU . 2 136 PRO . 2 137 SER . 2 138 GLN . 2 139 SER . 2 140 ALA . 2 141 SER . 2 142 PRO . 2 143 GLU . 2 144 PRO . 2 145 GLU . 2 146 PRO . 2 147 PRO . 2 148 PRO . 2 149 THR . 2 150 ASN . 2 151 LYS . 2 152 TRP . 2 153 GLN . 2 154 LEU . 2 155 ASP . 2 156 ASN . 2 157 TRP . 2 158 LEU . 2 159 ASN . 2 160 LYS . 2 161 VAL . 2 162 ASN . 2 163 PRO . 2 164 HIS . 2 165 LYS . 2 166 VAL . 2 167 SER . 2 168 PRO . 2 169 ALA . 2 170 SER . 2 171 SER . 2 172 VAL . 2 173 ASP . 2 174 SER . 2 175 ASN . 2 176 ILE . 2 177 PRO . 2 178 SER . 2 179 SER . 2 180 GLN . 2 181 GLY . 2 182 TYR . 2 183 LYS . 2 184 LYS . 2 185 GLU . 2 186 GLY . 2 187 ARG . 2 188 GLU . 2 189 GLN . 2 190 GLY . 2 191 THR . 2 192 GLY . 2 193 ASN . 2 194 SER . 2 195 TYR . 2 196 THR . 2 197 ASP . 2 198 THR . 2 199 SER . 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 LYS 321 321 LYS LYS B . B 2 2 GLU 322 322 GLU GLU B . B 2 3 MET 323 323 MET MET B . B 2 4 THR 324 324 THR THR B . B 2 5 HIS 325 325 HIS HIS B . B 2 6 SER 326 326 SER SER B . B 2 7 TRP 327 327 TRP TRP B . B 2 8 PRO 328 328 PRO PRO B . B 2 9 PRO 329 329 PRO PRO B . B 2 10 PRO 330 330 PRO PRO B . B 2 11 LEU 331 331 LEU LEU B . B 2 12 THR 332 332 THR THR B . B 2 13 ALA 333 333 ALA ALA B . B 2 14 ILE 334 334 ILE ILE B . B 2 15 HIS 335 335 HIS HIS B . B 2 16 THR 336 336 THR THR B . B 2 17 PRO 337 337 PRO PRO B . B 2 18 CYS 338 338 CYS CYS B . B 2 19 LYS 339 339 LYS LYS B . B 2 20 THR 340 340 THR THR B . B 2 21 GLU 341 341 GLU GLU B . B 2 22 PRO 342 342 PRO PRO B . B 2 23 SER 343 343 SER SER B . B 2 24 LYS 344 344 LYS LYS B . B 2 25 PHE 345 345 PHE PHE B . B 2 26 PRO 346 346 PRO PRO B . B 2 27 PHE 347 347 PHE PHE B . B 2 28 PRO 348 348 PRO PRO B . B 2 29 THR 349 349 THR THR B . B 2 30 LYS 350 350 LYS LYS B . B 2 31 GLU 351 351 GLU GLU B . B 2 32 SER 352 352 SER SER B . B 2 33 GLN 353 353 GLN GLN B . B 2 34 GLN 354 354 GLN GLN B . B 2 35 SER 355 355 SER SER B . B 2 36 ASN 356 356 ASN ASN B . B 2 37 PHE 357 357 PHE PHE B . B 2 38 GLY 358 358 GLY GLY B . B 2 39 THR 359 359 THR THR B . B 2 40 GLY 360 360 GLY GLY B . B 2 41 GLU 361 361 GLU GLU B . B 2 42 GLN 362 362 GLN GLN B . B 2 43 LYS 363 363 LYS LYS B . B 2 44 ARG 364 364 ARG ARG B . B 2 45 TYR 365 365 TYR TYR B . B 2 46 ASN 366 366 ASN ASN B . B 2 47 PRO 367 367 PRO PRO B . B 2 48 SER 368 368 SER SER B . B 2 49 LYS 369 369 LYS LYS B . B 2 50 THR 370 370 THR THR B . B 2 51 SER 371 371 SER SER B . B 2 52 ASN 372 372 ASN ASN B . B 2 53 GLY 373 373 GLY GLY B . B 2 54 HIS 374 374 HIS HIS B . B 2 55 GLN 375 375 GLN GLN B . B 2 56 SER 376 376 SER SER B . B 2 57 LYS 377 377 LYS LYS B . B 2 58 SER 378 378 SER SER B . B 2 59 MET 379 379 MET MET B . B 2 60 LEU 380 380 LEU LEU B . B 2 61 LYS 381 381 LYS LYS B . B 2 62 ASP 382 382 ASP ASP B . B 2 63 ASP 383 383 ASP ASP B . B 2 64 LEU 384 384 LEU LEU B . B 2 65 LYS 385 385 LYS LYS B . B 2 66 LEU 386 386 LEU LEU B . B 2 67 SER 387 387 SER SER B . B 2 68 SER 388 388 SER SER B . B 2 69 SER 389 389 SER SER B . B 2 70 GLU 390 390 GLU GLU B . B 2 71 ASP 391 391 ASP ASP B . B 2 72 SER 392 392 SER SER B . B 2 73 ASP 393 393 ASP ASP B . B 2 74 GLY 394 394 GLY GLY B . B 2 75 GLU 395 395 GLU GLU B . B 2 76 GLN 396 396 GLN GLN B . B 2 77 ASP 397 397 ASP ASP B . B 2 78 CYS 398 398 CYS CYS B . B 2 79 ASP 399 399 ASP ASP B . B 2 80 LYS 400 400 LYS LYS B . B 2 81 THR 401 401 THR THR B . B 2 82 MET 402 402 MET MET B . B 2 83 PRO 403 403 PRO PRO B . B 2 84 ARG 404 404 ARG ARG B . B 2 85 SER 405 405 SER SER B . B 2 86 THR 406 406 THR THR B . B 2 87 PRO 407 407 PRO PRO B . B 2 88 GLY 408 408 GLY GLY B . B 2 89 SER 409 409 SER SER B . B 2 90 ASN 410 410 ASN ASN B . B 2 91 SER 411 411 SER SER B . B 2 92 GLU 412 412 GLU GLU B . B 2 93 PRO 413 413 PRO PRO B . B 2 94 SER 414 414 SER SER B . B 2 95 HIS 415 415 HIS HIS B . B 2 96 HIS 416 416 HIS HIS B . B 2 97 ASN 417 417 ASN ASN B . B 2 98 SER 418 418 SER SER B . B 2 99 GLU 419 419 GLU GLU B . B 2 100 GLY 420 420 GLY GLY B . B 2 101 ALA 421 421 ALA ALA B . B 2 102 ASP 422 422 ASP ASP B . B 2 103 ASN 423 423 ASN ASN B . B 2 104 SER 424 424 SER SER B . B 2 105 ARG 425 425 ARG ARG B . B 2 106 ASP 426 426 ASP ASP B . B 2 107 ASP 427 427 ASP ASP B . B 2 108 SER 428 428 SER SER B . B 2 109 SER 429 429 SER SER B . B 2 110 SER 430 430 SER SER B . B 2 111 HIS 431 431 HIS HIS B . B 2 112 SER 432 432 SER SER B . B 2 113 GLY 433 433 GLY GLY B . B 2 114 SER 434 434 SER SER B . B 2 115 GLU 435 435 GLU GLU B . B 2 116 SER 436 436 SER SER B . B 2 117 SER 437 437 SER SER B . B 2 118 SER 438 438 SER SER B . B 2 119 GLY 439 439 GLY GLY B . B 2 120 SER 440 440 SER SER B . B 2 121 ASP 441 441 ASP ASP B . B 2 122 SER 442 442 SER SER B . B 2 123 GLU 443 443 GLU GLU B . B 2 124 SER 444 444 SER SER B . B 2 125 GLU 445 445 GLU GLU B . B 2 126 SER 446 446 SER SER B . B 2 127 SER 447 447 SER SER B . B 2 128 SER 448 448 SER SER B . B 2 129 SER 449 449 SER SER B . B 2 130 ASP 450 450 ASP ASP B . B 2 131 SER 451 451 SER SER B . B 2 132 GLU 452 452 GLU GLU B . B 2 133 ALA 453 453 ALA ALA B . B 2 134 ASN 454 454 ASN ASN B . B 2 135 GLU 455 455 GLU GLU B . B 2 136 PRO 456 456 PRO PRO B . B 2 137 SER 457 457 SER SER B . B 2 138 GLN 458 458 GLN GLN B . B 2 139 SER 459 459 SER SER B . B 2 140 ALA 460 460 ALA ALA B . B 2 141 SER 461 461 SER SER B . B 2 142 PRO 462 462 PRO PRO B . B 2 143 GLU 463 463 GLU GLU B . B 2 144 PRO 464 464 PRO PRO B . B 2 145 GLU 465 465 GLU GLU B . B 2 146 PRO 466 466 PRO PRO B . B 2 147 PRO 467 467 PRO PRO B . B 2 148 PRO 468 468 PRO PRO B . B 2 149 THR 469 469 THR THR B . B 2 150 ASN 470 470 ASN ASN B . B 2 151 LYS 471 471 LYS LYS B . B 2 152 TRP 472 472 TRP TRP B . B 2 153 GLN 473 473 GLN GLN B . B 2 154 LEU 474 474 LEU LEU B . B 2 155 ASP 475 475 ASP ASP B . B 2 156 ASN 476 476 ASN ASN B . B 2 157 TRP 477 477 TRP TRP B . B 2 158 LEU 478 478 LEU LEU B . B 2 159 ASN 479 479 ASN ASN B . B 2 160 LYS 480 480 LYS LYS B . B 2 161 VAL 481 481 VAL VAL B . B 2 162 ASN 482 482 ASN ASN B . B 2 163 PRO 483 483 PRO PRO B . B 2 164 HIS 484 484 HIS HIS B . B 2 165 LYS 485 485 LYS LYS B . B 2 166 VAL 486 486 VAL VAL B . B 2 167 SER 487 487 SER SER B . B 2 168 PRO 488 488 PRO PRO B . B 2 169 ALA 489 489 ALA ALA B . B 2 170 SER 490 490 SER SER B . B 2 171 SER 491 491 SER SER B . B 2 172 VAL 492 492 VAL VAL B . B 2 173 ASP 493 493 ASP ASP B . B 2 174 SER 494 494 SER SER B . B 2 175 ASN 495 495 ASN ASN B . B 2 176 ILE 496 496 ILE ILE B . B 2 177 PRO 497 497 PRO PRO B . B 2 178 SER 498 498 SER SER B . B 2 179 SER 499 499 SER SER B . B 2 180 GLN 500 500 GLN GLN B . B 2 181 GLY 501 501 GLY GLY B . B 2 182 TYR 502 502 TYR TYR B . B 2 183 LYS 503 503 LYS LYS B . B 2 184 LYS 504 504 LYS LYS B . B 2 185 GLU 505 505 GLU GLU B . B 2 186 GLY 506 506 GLY GLY B . B 2 187 ARG 507 507 ARG ARG B . B 2 188 GLU 508 508 GLU GLU B . B 2 189 GLN 509 509 GLN GLN B . B 2 190 GLY 510 510 GLY GLY B . B 2 191 THR 511 511 THR THR B . B 2 192 GLY 512 512 GLY GLY B . B 2 193 ASN 513 513 ASN ASN B . B 2 194 SER 514 514 SER SER B . B 2 195 TYR 515 515 TYR TYR B . B 2 196 THR 516 516 THR THR B . B 2 197 ASP 517 517 ASP ASP B . B 2 198 THR 518 518 THR THR B . B 2 199 SER 519 519 SER SER B . B 2 200 GLY 520 520 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; 321 - 520)' 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 14.279 12.992 -0.981 1.000 1 A 83.681 1 ATOM 2 C CA . LEU 1 525 ? A 13.936 12.128 -2.104 1.000 1 A 83.681 1 ATOM 3 C C . LEU 1 525 ? A 13.917 10.663 -1.678 1.000 1 A 83.681 1 ATOM 4 O O . LEU 1 525 ? A 14.830 10.201 -0.990 1.000 1 A 83.681 1 ATOM 5 C CB . LEU 1 525 ? A 14.927 12.324 -3.254 1.000 1 A 83.681 1 ATOM 6 C CG . LEU 1 525 ? A 14.476 11.829 -4.630 1.000 1 A 83.681 1 ATOM 7 C CD1 . LEU 1 525 ? A 13.492 12.814 -5.251 1.000 1 A 83.681 1 ATOM 8 C CD2 . LEU 1 525 ? A 15.679 11.619 -5.543 1.000 1 A 83.681 1 ATOM 9 N N . PRO 2 526 ? A 12.762 9.873 -1.944 1.000 1 A 93.283 1 ATOM 10 C CA . PRO 2 526 ? A 12.745 8.448 -1.603 1.000 1 A 93.283 1 ATOM 11 C C . PRO 2 526 ? A 13.886 7.672 -2.256 1.000 1 A 93.283 1 ATOM 12 O O . PRO 2 526 ? A 14.286 7.984 -3.380 1.000 1 A 93.283 1 ATOM 13 C CB . PRO 2 526 ? A 11.389 7.975 -2.133 1.000 1 A 93.283 1 ATOM 14 C CG . PRO 2 526 ? A 10.566 9.218 -2.242 1.000 1 A 93.283 1 ATOM 15 C CD . PRO 2 526 ? A 11.481 10.372 -2.536 1.000 1 A 93.283 1 ATOM 16 N N . ASP 3 527 ? A 14.535 6.786 -1.537 1.000 1 A 96.583 1 ATOM 17 C CA . ASP 3 527 ? A 15.705 6.026 -1.966 1.000 1 A 96.583 1 ATOM 18 C C . ASP 3 527 ? A 15.429 5.284 -3.272 1.000 1 A 96.583 1 ATOM 19 O O . ASP 3 527 ? A 16.327 5.117 -4.099 1.000 1 A 96.583 1 ATOM 20 C CB . ASP 3 527 ? A 16.130 5.037 -0.879 1.000 1 A 96.583 1 ATOM 21 C CG . ASP 3 527 ? A 15.036 4.048 -0.515 1.000 1 A 96.583 1 ATOM 22 O OD1 . ASP 3 527 ? A 13.846 4.338 -0.762 1.000 1 A 96.583 1 ATOM 23 O OD2 . ASP 3 527 ? A 15.368 2.971 0.025 1.000 1 A 96.583 1 ATOM 24 N N . TYR 4 528 ? A 14.272 4.806 -3.474 1.000 1 A 97.137 1 ATOM 25 C CA . TYR 4 528 ? A 13.987 4.002 -4.657 1.000 1 A 97.137 1 ATOM 26 C C . TYR 4 528 ? A 14.058 4.848 -5.922 1.000 1 A 97.137 1 ATOM 27 O O . TYR 4 528 ? A 14.240 4.319 -7.021 1.000 1 A 97.137 1 ATOM 28 C CB . TYR 4 528 ? A 12.606 3.348 -4.542 1.000 1 A 97.137 1 ATOM 29 C CG . TYR 4 528 ? A 11.470 4.339 -4.467 1.000 1 A 97.137 1 ATOM 30 C CD1 . TYR 4 528 ? A 10.901 4.684 -3.244 1.000 1 A 97.137 1 ATOM 31 C CD2 . TYR 4 528 ? A 10.963 4.931 -5.619 1.000 1 A 97.137 1 ATOM 32 C CE1 . TYR 4 528 ? A 9.852 5.595 -3.170 1.000 1 A 97.137 1 ATOM 33 C CE2 . TYR 4 528 ? A 9.914 5.843 -5.557 1.000 1 A 97.137 1 ATOM 34 C CZ . TYR 4 528 ? A 9.367 6.169 -4.330 1.000 1 A 97.137 1 ATOM 35 O OH . TYR 4 528 ? A 8.329 7.071 -4.263 1.000 1 A 97.137 1 ATOM 36 N N . LEU 5 529 ? A 13.915 6.155 -5.836 1.000 1 A 97.248 1 ATOM 37 C CA . LEU 5 529 ? A 14.024 7.028 -7.000 1.000 1 A 97.248 1 ATOM 38 C C . LEU 5 529 ? A 15.470 7.121 -7.475 1.000 1 A 97.248 1 ATOM 39 O O . LEU 5 529 ? A 15.727 7.258 -8.674 1.000 1 A 97.248 1 ATOM 40 C CB . LEU 5 529 ? A 13.491 8.425 -6.674 1.000 1 A 97.248 1 ATOM 41 C CG . LEU 5 529 ? A 11.980 8.543 -6.467 1.000 1 A 97.248 1 ATOM 42 C CD1 . LEU 5 529 ? A 11.607 9.970 -6.083 1.000 1 A 97.248 1 ATOM 43 C CD2 . LEU 5 529 ? A 11.232 8.109 -7.723 1.000 1 A 97.248 1 ATOM 44 N N . ILE 6 530 ? A 16.328 6.994 -6.570 1.000 1 A 97.203 1 ATOM 45 C CA . ILE 6 530 ? A 17.750 7.043 -6.893 1.000 1 A 97.203 1 ATOM 46 C C . ILE 6 530 ? A 18.219 5.669 -7.366 1.000 1 A 97.203 1 ATOM 47 O O . ILE 6 530 ? A 19.004 5.566 -8.312 1.000 1 A 97.203 1 ATOM 48 C CB . ILE 6 530 ? A 18.589 7.509 -5.682 1.000 1 A 97.203 1 ATOM 49 C CG1 . ILE 6 530 ? A 18.146 8.905 -5.231 1.000 1 A 97.203 1 ATOM 50 C CG2 . ILE 6 530 ? A 20.082 7.490 -6.020 1.000 1 A 97.203 1 ATOM 51 C CD1 . ILE 6 530 ? A 18.693 9.319 -3.872 1.000 1 A 97.203 1 ATOM 52 N N . LYS 7 531 ? A 17.731 4.671 -6.791 1.000 1 A 97.223 1 ATOM 53 C CA . LYS 7 531 ? A 18.143 3.297 -7.062 1.000 1 A 97.223 1 ATOM 54 C C . LYS 7 531 ? A 17.609 2.819 -8.410 1.000 1 A 97.223 1 ATOM 55 O O . LYS 7 531 ? A 18.326 2.165 -9.170 1.000 1 A 97.223 1 ATOM 56 C CB . LYS 7 531 ? A 17.665 2.364 -5.949 1.000 1 A 97.223 1 ATOM 57 C CG . LYS 7 531 ? A 18.059 0.908 -6.149 1.000 1 A 97.223 1 ATOM 58 C CD . LYS 7 531 ? A 17.594 0.038 -4.989 1.000 1 A 97.223 1 ATOM 59 C CE . LYS 7 531 ? A 17.941 -1.428 -5.214 1.000 1 A 97.223 1 ATOM 60 N NZ . LYS 7 531 ? A 17.533 -2.278 -4.055 1.000 1 A 97.223 1 ATOM 61 N N . TYR 8 532 ? A 16.390 3.117 -8.684 1.000 1 A 97.904 1 ATOM 62 C CA . TYR 8 532 ? A 15.747 2.638 -9.902 1.000 1 A 97.904 1 ATOM 63 C C . TYR 8 532 ? A 15.651 3.749 -10.941 1.000 1 A 97.904 1 ATOM 64 O O . TYR 8 532 ? A 14.734 4.572 -10.896 1.000 1 A 97.904 1 ATOM 65 C CB . TYR 8 532 ? A 14.350 2.090 -9.593 1.000 1 A 97.904 1 ATOM 66 C CG . TYR 8 532 ? A 14.356 0.903 -8.661 1.000 1 A 97.904 1 ATOM 67 C CD1 . TYR 8 532 ? A 14.669 -0.372 -9.127 1.000 1 A 97.904 1 ATOM 68 C CD2 . TYR 8 532 ? A 14.048 1.053 -7.313 1.000 1 A 97.904 1 ATOM 69 C CE1 . TYR 8 532 ? A 14.674 -1.469 -8.273 1.000 1 A 97.904 1 ATOM 70 C CE2 . TYR 8 532 ? A 14.050 -0.037 -6.449 1.000 1 A 97.904 1 ATOM 71 C CZ . TYR 8 532 ? A 14.364 -1.292 -6.937 1.000 1 A 97.904 1 ATOM 72 O OH . TYR 8 532 ? A 14.368 -2.375 -6.087 1.000 1 A 97.904 1 ATOM 73 N N . ILE 9 533 ? A 16.613 3.736 -11.787 1.000 1 A 97.430 1 ATOM 74 C CA . ILE 9 533 ? A 16.699 4.744 -12.839 1.000 1 A 97.430 1 ATOM 75 C C . ILE 9 533 ? A 16.202 4.157 -14.158 1.000 1 A 97.430 1 ATOM 76 O O . ILE 9 533 ? A 15.789 2.996 -14.211 1.000 1 A 97.430 1 ATOM 77 C CB . ILE 9 533 ? A 18.143 5.272 -12.998 1.000 1 A 97.430 1 ATOM 78 C CG1 . ILE 9 533 ? A 19.097 4.123 -13.341 1.000 1 A 97.430 1 ATOM 79 C CG2 . ILE 9 533 ? A 18.595 5.999 -11.728 1.000 1 A 97.430 1 ATOM 80 C CD1 . ILE 9 533 ? A 20.477 4.579 -13.796 1.000 1 A 97.430 1 ATOM 81 N N . ALA 10 534 ? A 16.174 5.001 -15.156 1.000 1 A 97.928 1 ATOM 82 C CA . ALA 10 534 ? A 15.698 4.590 -16.474 1.000 1 A 97.928 1 ATOM 83 C C . ALA 10 534 ? A 16.446 3.354 -16.967 1.000 1 A 97.928 1 ATOM 84 O O . ALA 10 534 ? A 17.675 3.288 -16.878 1.000 1 A 97.928 1 ATOM 85 C CB . ALA 10 534 ? A 15.847 5.733 -17.475 1.000 1 A 97.928 1 ATOM 86 N N . ILE 11 535 ? A 15.681 2.356 -17.418 1.000 1 A 98.293 1 ATOM 87 C CA . ILE 11 535 ? A 16.214 1.068 -17.849 1.000 1 A 98.293 1 ATOM 88 C C . ILE 11 535 ? A 16.954 1.233 -19.175 1.000 1 A 98.293 1 ATOM 89 O O . ILE 11 535 ? A 16.425 1.827 -20.118 1.000 1 A 98.293 1 ATOM 90 C CB . ILE 11 535 ? A 15.096 0.011 -17.987 1.000 1 A 98.293 1 ATOM 91 C CG1 . ILE 11 535 ? A 14.419 -0.229 -16.632 1.000 1 A 98.293 1 ATOM 92 C CG2 . ILE 11 535 ? A 15.655 -1.295 -18.559 1.000 1 A 98.293 1 ATOM 93 C CD1 . ILE 11 535 ? A 13.181 -1.113 -16.707 1.000 1 A 98.293 1 ATOM 94 N N . VAL 12 536 ? A 18.173 0.647 -19.269 1.000 1 A 97.362 1 ATOM 95 C CA . VAL 12 536 ? A 18.994 0.801 -20.466 1.000 1 A 97.362 1 ATOM 96 C C . VAL 12 536 ? A 19.274 -0.568 -21.081 1.000 1 A 97.362 1 ATOM 97 O O . VAL 12 536 ? A 19.768 -0.660 -22.208 1.000 1 A 97.362 1 ATOM 98 C CB . VAL 12 536 ? A 20.322 1.527 -20.154 1.000 1 A 97.362 1 ATOM 99 C CG1 . VAL 12 536 ? A 20.060 2.965 -19.708 1.000 1 A 97.362 1 ATOM 100 C CG2 . VAL 12 536 ? A 21.106 0.767 -19.086 1.000 1 A 97.362 1 ATOM 101 N N . SER 13 537 ? A 19.031 -1.650 -20.326 1.000 1 A 97.744 1 ATOM 102 C CA . SER 13 537 ? A 19.306 -2.997 -20.816 1.000 1 A 97.744 1 ATOM 103 C C . SER 13 537 ? A 18.231 -3.980 -20.362 1.000 1 A 97.744 1 ATOM 104 O O . SER 13 537 ? A 17.489 -3.704 -19.418 1.000 1 A 97.744 1 ATOM 105 C CB . SER 13 537 ? A 20.678 -3.473 -20.338 1.000 1 A 97.744 1 ATOM 106 O OG . SER 13 537 ? A 20.669 -3.711 -18.941 1.000 1 A 97.744 1 ATOM 107 N N . TYR 14 538 ? A 18.154 -5.148 -21.136 1.000 1 A 97.806 1 ATOM 108 C CA . TYR 14 538 ? A 17.198 -6.194 -20.791 1.000 1 A 97.806 1 ATOM 109 C C . TYR 14 538 ? A 17.559 -6.847 -19.462 1.000 1 A 97.806 1 ATOM 110 O O . TYR 14 538 ? A 16.676 -7.265 -18.709 1.000 1 A 97.806 1 ATOM 111 C CB . TYR 14 538 ? A 17.140 -7.254 -21.895 1.000 1 A 97.806 1 ATOM 112 C CG . TYR 14 538 ? A 16.332 -6.835 -23.099 1.000 1 A 97.806 1 ATOM 113 C CD1 . TYR 14 538 ? A 14.940 -6.886 -23.079 1.000 1 A 97.806 1 ATOM 114 C CD2 . TYR 14 538 ? A 16.957 -6.387 -24.257 1.000 1 A 97.806 1 ATOM 115 C CE1 . TYR 14 538 ? A 14.190 -6.502 -24.187 1.000 1 A 97.806 1 ATOM 116 C CE2 . TYR 14 538 ? A 16.218 -6.000 -25.370 1.000 1 A 97.806 1 ATOM 117 C CZ . TYR 14 538 ? A 14.837 -6.061 -25.325 1.000 1 A 97.806 1 ATOM 118 O OH . TYR 14 538 ? A 14.100 -5.680 -26.424 1.000 1 A 97.806 1 ATOM 119 N N . GLU 15 539 ? A 18.815 -6.980 -19.210 1.000 1 A 98.348 1 ATOM 120 C CA . GLU 15 539 ? A 19.260 -7.534 -17.935 1.000 1 A 98.348 1 ATOM 121 C C . GLU 15 539 ? A 18.776 -6.682 -16.765 1.000 1 A 98.348 1 ATOM 122 O O . GLU 15 539 ? A 18.292 -7.212 -15.763 1.000 1 A 98.348 1 ATOM 123 C CB . GLU 15 539 ? A 20.786 -7.653 -17.903 1.000 1 A 98.348 1 ATOM 124 C CG . GLU 15 539 ? A 21.323 -8.333 -16.652 1.000 1 A 98.348 1 ATOM 125 C CD . GLU 15 539 ? A 22.841 -8.423 -16.623 1.000 1 A 98.348 1 ATOM 126 O OE1 . GLU 15 539 ? A 23.395 -9.020 -15.672 1.000 1 A 98.348 1 ATOM 127 O OE2 . GLU 15 539 ? A 23.480 -7.892 -17.558 1.000 1 A 98.348 1 ATOM 128 N N . GLN 16 540 ? A 18.933 -5.330 -16.975 1.000 1 A 98.381 1 ATOM 129 C CA . GLN 16 540 ? A 18.451 -4.396 -15.962 1.000 1 A 98.381 1 ATOM 130 C C . GLN 16 540 ? A 16.939 -4.504 -15.789 1.000 1 A 98.381 1 ATOM 131 O O . GLN 16 540 ? A 16.436 -4.505 -14.664 1.000 1 A 98.381 1 ATOM 132 C CB . GLN 16 540 ? A 18.837 -2.962 -16.328 1.000 1 A 98.381 1 ATOM 133 C CG . GLN 16 540 ? A 18.558 -1.950 -15.224 1.000 1 A 98.381 1 ATOM 134 C CD . GLN 16 540 ? A 19.041 -0.554 -15.572 1.000 1 A 98.381 1 ATOM 135 O OE1 . GLN 16 540 ? A 19.145 -0.194 -16.749 1.000 1 A 98.381 1 ATOM 136 N NE2 . GLN 16 540 ? A 19.342 0.241 -14.551 1.000 1 A 98.381 1 ATOM 137 N N . ARG 17 541 ? A 16.269 -4.634 -16.849 1.000 1 A 98.440 1 ATOM 138 C CA . ARG 17 541 ? A 14.819 -4.799 -16.829 1.000 1 A 98.440 1 ATOM 139 C C . ARG 17 541 ? A 14.418 -6.025 -16.015 1.000 1 A 98.440 1 ATOM 140 O O . ARG 17 541 ? A 13.496 -5.960 -15.200 1.000 1 A 98.440 1 ATOM 141 C CB . ARG 17 541 ? A 14.272 -4.914 -18.254 1.000 1 A 98.440 1 ATOM 142 C CG . ARG 17 541 ? A 12.766 -5.113 -18.320 1.000 1 A 98.440 1 ATOM 143 C CD . ARG 17 541 ? A 12.275 -5.228 -19.757 1.000 1 A 98.440 1 ATOM 144 N NE . ARG 17 541 ? A 10.818 -5.284 -19.826 1.000 1 A 98.440 1 ATOM 145 C CZ . ARG 17 541 ? A 10.090 -6.374 -19.596 1.000 1 A 98.440 1 ATOM 146 N NH1 . ARG 17 541 ? A 10.673 -7.524 -19.277 1.000 1 A 98.440 1 ATOM 147 N NH2 . ARG 17 541 ? A 8.770 -6.313 -19.686 1.000 1 A 98.440 1 ATOM 148 N N . GLN 18 542 ? A 15.034 -7.116 -16.228 1.000 1 A 98.523 1 ATOM 149 C CA . GLN 18 542 ? A 14.746 -8.355 -15.514 1.000 1 A 98.523 1 ATOM 150 C C . GLN 18 542 ? A 15.062 -8.219 -14.027 1.000 1 A 98.523 1 ATOM 151 O O . GLN 18 542 ? A 14.318 -8.719 -13.180 1.000 1 A 98.523 1 ATOM 152 C CB . GLN 18 542 ? A 15.539 -9.518 -16.114 1.000 1 A 98.523 1 ATOM 153 C CG . GLN 18 542 ? A 15.115 -10.885 -15.593 1.000 1 A 98.523 1 ATOM 154 C CD . GLN 18 542 ? A 13.649 -11.181 -15.846 1.000 1 A 98.523 1 ATOM 155 O OE1 . GLN 18 542 ? A 13.137 -10.951 -16.946 1.000 1 A 98.523 1 ATOM 156 N NE2 . GLN 18 542 ? A 12.963 -11.693 -14.829 1.000 1 A 98.523 1 ATOM 157 N N . ASN 19 543 ? A 16.106 -7.620 -13.682 1.000 1 A 98.434 1 ATOM 158 C CA . ASN 19 543 ? A 16.446 -7.382 -12.283 1.000 1 A 98.434 1 ATOM 159 C C . ASN 19 543 ? A 15.366 -6.567 -11.575 1.000 1 A 98.434 1 ATOM 160 O O . ASN 19 543 ? A 15.012 -6.860 -10.432 1.000 1 A 98.434 1 ATOM 161 C CB . ASN 19 543 ? A 17.800 -6.679 -12.171 1.000 1 A 98.434 1 ATOM 162 C CG . ASN 19 543 ? A 18.961 -7.590 -12.516 1.000 1 A 98.434 1 ATOM 163 O OD1 . ASN 19 543 ? A 18.870 -8.812 -12.376 1.000 1 A 98.434 1 ATOM 164 N ND2 . ASN 19 543 ? A 20.062 -7.002 -12.970 1.000 1 A 98.434 1 ATOM 165 N N . TYR 20 544 ? A 14.950 -5.481 -12.258 1.000 1 A 98.550 1 ATOM 166 C CA . TYR 20 544 ? A 13.865 -4.686 -11.694 1.000 1 A 98.550 1 ATOM 167 C C . TYR 20 544 ? A 12.623 -5.539 -11.469 1.000 1 A 98.550 1 ATOM 168 O O . TYR 20 544 ? A 11.958 -5.419 -10.438 1.000 1 A 98.550 1 ATOM 169 C CB . TYR 20 544 ? A 13.530 -3.506 -12.611 1.000 1 A 98.550 1 ATOM 170 C CG . TYR 20 544 ? A 14.501 -2.355 -12.500 1.000 1 A 98.550 1 ATOM 171 C CD1 . TYR 20 544 ? A 15.742 -2.523 -11.891 1.000 1 A 98.550 1 ATOM 172 C CD2 . TYR 20 544 ? A 14.179 -1.100 -13.003 1.000 1 A 98.550 1 ATOM 173 C CE1 . TYR 20 544 ? A 16.640 -1.465 -11.785 1.000 1 A 98.550 1 ATOM 174 C CE2 . TYR 20 544 ? A 15.068 -0.035 -12.903 1.000 1 A 98.550 1 ATOM 175 C CZ . TYR 20 544 ? A 16.294 -0.227 -12.293 1.000 1 A 98.550 1 ATOM 176 O OH . TYR 20 544 ? A 17.179 0.824 -12.191 1.000 1 A 98.550 1 ATOM 177 N N . LYS 21 545 ? A 12.327 -6.324 -12.390 1.000 1 A 98.409 1 ATOM 178 C CA . LYS 21 545 ? A 11.181 -7.223 -12.290 1.000 1 A 98.409 1 ATOM 179 C C . LYS 21 545 ? A 11.331 -8.176 -11.107 1.000 1 A 98.409 1 ATOM 180 O O . LYS 21 545 ? A 10.376 -8.401 -10.360 1.000 1 A 98.409 1 ATOM 181 C CB . LYS 21 545 ? A 11.008 -8.019 -13.585 1.000 1 A 98.409 1 ATOM 182 C CG . LYS 21 545 ? A 9.735 -8.849 -13.636 1.000 1 A 98.409 1 ATOM 183 C CD . LYS 21 545 ? A 9.528 -9.472 -15.011 1.000 1 A 98.409 1 ATOM 184 C CE . LYS 21 545 ? A 8.181 -10.175 -15.111 1.000 1 A 98.409 1 ATOM 185 N NZ . LYS 21 545 ? A 8.313 -11.653 -14.943 1.000 1 A 98.409 1 ATOM 186 N N . ASP 22 546 ? A 12.470 -8.738 -10.976 1.000 1 A 98.461 1 ATOM 187 C CA . ASP 22 546 ? A 12.737 -9.622 -9.846 1.000 1 A 98.461 1 ATOM 188 C C . ASP 22 546 ? A 12.559 -8.886 -8.520 1.000 1 A 98.461 1 ATOM 189 O O . ASP 22 546 ? A 11.986 -9.430 -7.574 1.000 1 A 98.461 1 ATOM 190 C CB . ASP 22 546 ? A 14.149 -10.203 -9.940 1.000 1 A 98.461 1 ATOM 191 C CG . ASP 22 546 ? A 14.320 -11.160 -11.106 1.000 1 A 98.461 1 ATOM 192 O OD1 . ASP 22 546 ? A 13.305 -11.655 -11.643 1.000 1 A 98.461 1 ATOM 193 O OD2 . ASP 22 546 ? A 15.479 -11.425 -11.490 1.000 1 A 98.461 1 ATOM 194 N N . ASP 23 547 ? A 13.103 -7.688 -8.447 1.000 1 A 98.111 1 ATOM 195 C CA . ASP 23 547 ? A 12.963 -6.884 -7.237 1.000 1 A 98.111 1 ATOM 196 C C . ASP 23 547 ? A 11.496 -6.566 -6.956 1.000 1 A 98.111 1 ATOM 197 O O . ASP 23 547 ? A 11.064 -6.574 -5.801 1.000 1 A 98.111 1 ATOM 198 C CB . ASP 23 547 ? A 13.769 -5.589 -7.357 1.000 1 A 98.111 1 ATOM 199 C CG . ASP 23 547 ? A 15.268 -5.814 -7.277 1.000 1 A 98.111 1 ATOM 200 O OD1 . ASP 23 547 ? A 15.699 -6.920 -6.885 1.000 1 A 98.111 1 ATOM 201 O OD2 . ASP 23 547 ? A 16.026 -4.876 -7.606 1.000 1 A 98.111 1 ATOM 202 N N . PHE 24 548 ? A 10.747 -6.238 -7.997 1.000 1 A 98.456 1 ATOM 203 C CA . PHE 24 548 ? A 9.313 -6.006 -7.878 1.000 1 A 98.456 1 ATOM 204 C C . PHE 24 548 ? A 8.618 -7.213 -7.260 1.000 1 A 98.456 1 ATOM 205 O O . PHE 24 548 ? A 7.866 -7.076 -6.293 1.000 1 A 98.456 1 ATOM 206 C CB . PHE 24 548 ? A 8.701 -5.692 -9.247 1.000 1 A 98.456 1 ATOM 207 C CG . PHE 24 548 ? A 7.231 -5.374 -9.197 1.000 1 A 98.456 1 ATOM 208 C CD1 . PHE 24 548 ? A 6.287 -6.393 -9.163 1.000 1 A 98.456 1 ATOM 209 C CD2 . PHE 24 548 ? A 6.794 -4.056 -9.185 1.000 1 A 98.456 1 ATOM 210 C CE1 . PHE 24 548 ? A 4.925 -6.102 -9.117 1.000 1 A 98.456 1 ATOM 211 C CE2 . PHE 24 548 ? A 5.435 -3.757 -9.139 1.000 1 A 98.456 1 ATOM 212 C CZ . PHE 24 548 ? A 4.502 -4.782 -9.106 1.000 1 A 98.456 1 ATOM 213 N N . ASN 25 549 ? A 8.931 -8.330 -7.774 1.000 1 A 98.103 1 ATOM 214 C CA . ASN 25 549 ? A 8.279 -9.556 -7.326 1.000 1 A 98.103 1 ATOM 215 C C . ASN 25 549 ? A 8.687 -9.919 -5.901 1.000 1 A 98.103 1 ATOM 216 O O . ASN 25 549 ? A 7.878 -10.445 -5.134 1.000 1 A 98.103 1 ATOM 217 C CB . ASN 25 549 ? A 8.593 -10.711 -8.279 1.000 1 A 98.103 1 ATOM 218 C CG . ASN 25 549 ? A 7.884 -10.577 -9.612 1.000 1 A 98.103 1 ATOM 219 O OD1 . ASN 25 549 ? A 6.785 -10.023 -9.692 1.000 1 A 98.103 1 ATOM 220 N ND2 . ASN 25 549 ? A 8.509 -11.083 -10.669 1.000 1 A 98.103 1 ATOM 221 N N . ALA 26 550 ? A 9.886 -9.647 -5.533 1.000 1 A 98.198 1 ATOM 222 C CA . ALA 26 550 ? A 10.402 -9.962 -4.203 1.000 1 A 98.198 1 ATOM 223 C C . ALA 26 550 ? A 9.641 -9.196 -3.125 1.000 1 A 98.198 1 ATOM 224 O O . ALA 26 550 ? A 9.437 -9.706 -2.020 1.000 1 A 98.198 1 ATOM 225 C CB . ALA 26 550 ? A 11.894 -9.647 -4.123 1.000 1 A 98.198 1 ATOM 226 N N . GLU 27 551 ? A 9.194 -8.042 -3.397 1.000 1 A 97.223 1 ATOM 227 C CA . GLU 27 551 ? A 8.581 -7.183 -2.389 1.000 1 A 97.223 1 ATOM 228 C C . GLU 27 551 ? A 7.064 -7.137 -2.550 1.000 1 A 97.223 1 ATOM 229 O O . GLU 27 551 ? A 6.356 -6.637 -1.674 1.000 1 A 97.223 1 ATOM 230 C CB . GLU 27 551 ? A 9.160 -5.768 -2.463 1.000 1 A 97.223 1 ATOM 231 C CG . GLU 27 551 ? A 10.622 -5.679 -2.050 1.000 1 A 97.223 1 ATOM 232 C CD . GLU 27 551 ? A 11.142 -4.252 -1.986 1.000 1 A 97.223 1 ATOM 233 O OE1 . GLU 27 551 ? A 12.172 -4.011 -1.316 1.000 1 A 97.223 1 ATOM 234 O OE2 . GLU 27 551 ? A 10.515 -3.368 -2.610 1.000 1 A 97.223 1 ATOM 235 N N . TYR 28 552 ? A 6.573 -7.670 -3.648 1.000 1 A 97.875 1 ATOM 236 C CA . TYR 28 552 ? A 5.155 -7.590 -3.978 1.000 1 A 97.875 1 ATOM 237 C C . TYR 28 552 ? A 4.312 -8.333 -2.948 1.000 1 A 97.875 1 ATOM 238 O O . TYR 28 552 ? A 3.231 -7.873 -2.573 1.000 1 A 97.875 1 ATOM 239 C CB . TYR 28 552 ? A 4.895 -8.161 -5.375 1.000 1 A 97.875 1 ATOM 240 C CG . TYR 28 552 ? A 3.491 -7.926 -5.876 1.000 1 A 97.875 1 ATOM 241 C CD1 . TYR 28 552 ? A 2.628 -8.993 -6.116 1.000 1 A 97.875 1 ATOM 242 C CD2 . TYR 28 552 ? A 3.024 -6.637 -6.111 1.000 1 A 97.875 1 ATOM 243 C CE1 . TYR 28 552 ? A 1.334 -8.782 -6.580 1.000 1 A 97.875 1 ATOM 244 C CE2 . TYR 28 552 ? A 1.732 -6.414 -6.575 1.000 1 A 97.875 1 ATOM 245 C CZ . TYR 28 552 ? A 0.895 -7.491 -6.805 1.000 1 A 97.875 1 ATOM 246 O OH . TYR 28 552 ? A -0.385 -7.275 -7.264 1.000 1 A 97.875 1 ATOM 247 N N . ASP 29 553 ? A 4.783 -9.381 -2.441 1.000 1 A 97.934 1 ATOM 248 C CA . ASP 29 553 ? A 4.023 -10.143 -1.455 1.000 1 A 97.934 1 ATOM 249 C C . ASP 29 553 ? A 3.804 -9.330 -0.181 1.000 1 A 97.934 1 ATOM 250 O O . ASP 29 553 ? A 2.707 -9.330 0.381 1.000 1 A 97.934 1 ATOM 251 C CB . ASP 29 553 ? A 4.738 -11.455 -1.124 1.000 1 A 97.934 1 ATOM 252 C CG . ASP 29 553 ? A 4.634 -12.484 -2.237 1.000 1 A 97.934 1 ATOM 253 O OD1 . ASP 29 553 ? A 3.705 -12.391 -3.068 1.000 1 A 97.934 1 ATOM 254 O OD2 . ASP 29 553 ? A 5.487 -13.397 -2.281 1.000 1 A 97.934 1 ATOM 255 N N . GLU 30 554 ? A 4.837 -8.730 0.208 1.000 1 A 97.870 1 ATOM 256 C CA . GLU 30 554 ? A 4.714 -7.873 1.383 1.000 1 A 97.870 1 ATOM 257 C C . GLU 30 554 ? A 3.709 -6.749 1.144 1.000 1 A 97.870 1 ATOM 258 O O . GLU 30 554 ? A 2.882 -6.454 2.009 1.000 1 A 97.870 1 ATOM 259 C CB . GLU 30 554 ? A 6.075 -7.288 1.768 1.000 1 A 97.870 1 ATOM 260 C CG . GLU 30 554 ? A 6.041 -6.419 3.016 1.000 1 A 97.870 1 ATOM 261 C CD . GLU 30 554 ? A 7.395 -5.828 3.374 1.000 1 A 97.870 1 ATOM 262 O OE1 . GLU 30 554 ? A 7.469 -5.003 4.312 1.000 1 A 97.870 1 ATOM 263 O OE2 . GLU 30 554 ? A 8.391 -6.193 2.709 1.000 1 A 97.870 1 ATOM 264 N N . TYR 31 555 ? A 3.808 -6.115 0.046 1.000 1 A 98.179 1 ATOM 265 C CA . TYR 31 555 ? A 2.881 -5.040 -0.289 1.000 1 A 98.179 1 ATOM 266 C C . TYR 31 555 ? A 1.441 -5.539 -0.277 1.000 1 A 98.179 1 ATOM 267 O O . TYR 31 555 ? A 0.564 -4.908 0.318 1.000 1 A 98.179 1 ATOM 268 C CB . TYR 31 555 ? A 3.216 -4.449 -1.662 1.000 1 A 98.179 1 ATOM 269 C CG . TYR 31 555 ? A 2.143 -3.541 -2.210 1.000 1 A 98.179 1 ATOM 270 C CD1 . TYR 31 555 ? A 1.348 -3.938 -3.283 1.000 1 A 98.179 1 ATOM 271 C CD2 . TYR 31 555 ? A 1.922 -2.284 -1.658 1.000 1 A 98.179 1 ATOM 272 C CE1 . TYR 31 555 ? A 0.359 -3.103 -3.794 1.000 1 A 98.179 1 ATOM 273 C CE2 . TYR 31 555 ? A 0.936 -1.441 -2.160 1.000 1 A 98.179 1 ATOM 274 C CZ . TYR 31 555 ? A 0.161 -1.859 -3.226 1.000 1 A 98.179 1 ATOM 275 O OH . TYR 31 555 ? A -0.817 -1.028 -3.727 1.000 1 A 98.179 1 ATOM 276 N N . ARG 32 556 ? A 1.190 -6.665 -0.832 1.000 1 A 97.929 1 ATOM 277 C CA . ARG 32 556 ? A -0.165 -7.200 -0.917 1.000 1 A 97.929 1 ATOM 278 C C . ARG 32 556 ? A -0.738 -7.464 0.471 1.000 1 A 97.929 1 ATOM 279 O O . ARG 32 556 ? A -1.898 -7.144 0.741 1.000 1 A 97.929 1 ATOM 280 C CB . ARG 32 556 ? A -0.184 -8.486 -1.746 1.000 1 A 97.929 1 ATOM 281 C CG . ARG 32 556 ? A -0.076 -8.256 -3.245 1.000 1 A 97.929 1 ATOM 282 C CD . ARG 32 556 ? A -1.436 -8.324 -3.925 1.000 1 A 97.929 1 ATOM 283 N NE . ARG 32 556 ? A -2.077 -9.620 -3.720 1.000 1 A 97.929 1 ATOM 284 C CZ . ARG 32 556 ? A -2.896 -10.206 -4.588 1.000 1 A 97.929 1 ATOM 285 N NH1 . ARG 32 556 ? A -3.192 -9.621 -5.743 1.000 1 A 97.929 1 ATOM 286 N NH2 . ARG 32 556 ? A -3.425 -11.387 -4.299 1.000 1 A 97.929 1 ATOM 287 N N . ALA 33 557 ? A 0.037 -8.010 1.259 1.000 1 A 97.309 1 ATOM 288 C CA . ALA 33 557 ? A -0.406 -8.326 2.615 1.000 1 A 97.309 1 ATOM 289 C C . ALA 33 557 ? A -0.692 -7.055 3.409 1.000 1 A 97.309 1 ATOM 290 O O . ALA 33 557 ? A -1.724 -6.951 4.076 1.000 1 A 97.309 1 ATOM 291 C CB . ALA 33 557 ? A 0.642 -9.174 3.332 1.000 1 A 97.309 1 ATOM 292 N N . LEU 34 558 ? A 0.238 -6.126 3.325 1.000 1 A 96.523 1 ATOM 293 C CA . LEU 34 558 ? A 0.065 -4.865 4.037 1.000 1 A 96.523 1 ATOM 294 C C . LEU 34 558 ? A -1.152 -4.108 3.514 1.000 1 A 96.523 1 ATOM 295 O O . LEU 34 558 ? A -1.932 -3.562 4.297 1.000 1 A 96.523 1 ATOM 296 C CB . LEU 34 558 ? A 1.318 -3.996 3.901 1.000 1 A 96.523 1 ATOM 297 C CG . LEU 34 558 ? A 2.488 -4.345 4.821 1.000 1 A 96.523 1 ATOM 298 C CD1 . LEU 34 558 ? A 3.736 -3.571 4.409 1.000 1 A 96.523 1 ATOM 299 C CD2 . LEU 34 558 ? A 2.130 -4.058 6.275 1.000 1 A 96.523 1 ATOM 300 N N . HIS 35 559 ? A -1.252 -4.090 2.225 1.000 1 A 96.591 1 ATOM 301 C CA . HIS 35 559 ? A -2.379 -3.402 1.606 1.000 1 A 96.591 1 ATOM 302 C C . HIS 35 559 ? A -3.705 -4.023 2.030 1.000 1 A 96.591 1 ATOM 303 O O . HIS 35 559 ? A -4.664 -3.307 2.328 1.000 1 A 96.591 1 ATOM 304 C CB . HIS 35 559 ? A -2.251 -3.428 0.082 1.000 1 A 96.591 1 ATOM 305 C CG . HIS 35 559 ? A -3.309 -2.641 -0.623 1.000 1 A 96.591 1 ATOM 306 N ND1 . HIS 35 559 ? A -4.442 -3.223 -1.150 1.000 1 A 96.591 1 ATOM 307 C CD2 . HIS 35 559 ? A -3.407 -1.316 -0.884 1.000 1 A 96.591 1 ATOM 308 C CE1 . HIS 35 559 ? A -5.192 -2.287 -1.708 1.000 1 A 96.591 1 ATOM 309 N NE2 . HIS 35 559 ? A -4.587 -1.121 -1.560 1.000 1 A 96.591 1 ATOM 310 N N . ALA 36 560 ? A -3.775 -5.287 2.000 1.000 1 A 96.073 1 ATOM 311 C CA . ALA 36 560 ? A -4.989 -5.982 2.419 1.000 1 A 96.073 1 ATOM 312 C C . ALA 36 560 ? A -5.367 -5.613 3.850 1.000 1 A 96.073 1 ATOM 313 O O . ALA 36 560 ? A -6.539 -5.371 4.147 1.000 1 A 96.073 1 ATOM 314 C CB . ALA 36 560 ? A -4.807 -7.493 2.293 1.000 1 A 96.073 1 ATOM 315 N N . ARG 37 561 ? A -4.444 -5.633 4.704 1.000 1 A 94.044 1 ATOM 316 C CA . ARG 37 561 ? A -4.691 -5.275 6.097 1.000 1 A 94.044 1 ATOM 317 C C . ARG 37 561 ? A -5.180 -3.835 6.214 1.000 1 A 94.044 1 ATOM 318 O O . ARG 37 561 ? A -6.150 -3.560 6.925 1.000 1 A 94.044 1 ATOM 319 C CB . ARG 37 561 ? A -3.424 -5.467 6.934 1.000 1 A 94.044 1 ATOM 320 C CG . ARG 37 561 ? A -3.644 -5.305 8.430 1.000 1 A 94.044 1 ATOM 321 C CD . ARG 37 561 ? A -2.377 -5.600 9.221 1.000 1 A 94.044 1 ATOM 322 N NE . ARG 37 561 ? A -2.446 -5.052 10.573 1.000 1 A 94.044 1 ATOM 323 C CZ . ARG 37 561 ? A -1.428 -5.016 11.429 1.000 1 A 94.044 1 ATOM 324 N NH1 . ARG 37 561 ? A -0.238 -5.498 11.088 1.000 1 A 94.044 1 ATOM 325 N NH2 . ARG 37 561 ? A -1.601 -4.494 12.634 1.000 1 A 94.044 1 ATOM 326 N N . MET 38 562 ? A -4.492 -2.954 5.530 1.000 1 A 94.155 1 ATOM 327 C CA . MET 38 562 ? A -4.869 -1.544 5.558 1.000 1 A 94.155 1 ATOM 328 C C . MET 38 562 ? A -6.270 -1.344 4.988 1.000 1 A 94.155 1 ATOM 329 O O . MET 38 562 ? A -7.040 -0.528 5.496 1.000 1 A 94.155 1 ATOM 330 C CB . MET 38 562 ? A -3.861 -0.702 4.774 1.000 1 A 94.155 1 ATOM 331 C CG . MET 38 562 ? A -2.480 -0.651 5.408 1.000 1 A 94.155 1 ATOM 332 S SD . MET 38 562 ? A -2.519 -0.008 7.126 1.000 1 A 94.155 1 ATOM 333 C CE . MET 38 562 ? A -2.112 -1.520 8.043 1.000 1 A 94.155 1 ATOM 334 N N . GLU 39 563 ? A -6.552 -2.064 3.956 1.000 1 A 94.226 1 ATOM 335 C CA . GLU 39 563 ? A -7.862 -1.966 3.320 1.000 1 A 94.226 1 ATOM 336 C C . GLU 39 563 ? A -8.966 -2.460 4.251 1.000 1 A 94.226 1 ATOM 337 O O . GLU 39 563 ? A -10.057 -1.887 4.287 1.000 1 A 94.226 1 ATOM 338 C CB . GLU 39 563 ? A -7.885 -2.758 2.011 1.000 1 A 94.226 1 ATOM 339 C CG . GLU 39 563 ? A -9.125 -2.512 1.164 1.000 1 A 94.226 1 ATOM 340 C CD . GLU 39 563 ? A -9.084 -3.219 -0.181 1.000 1 A 94.226 1 ATOM 341 O OE1 . GLU 39 563 ? A -9.625 -2.674 -1.170 1.000 1 A 94.226 1 ATOM 342 O OE2 . GLU 39 563 ? A -8.506 -4.327 -0.247 1.000 1 A 94.226 1 ATOM 343 N N . THR 40 564 ? A -8.649 -3.487 4.954 1.000 1 A 94.142 1 ATOM 344 C CA . THR 40 564 ? A -9.625 -4.007 5.905 1.000 1 A 94.142 1 ATOM 345 C C . THR 40 564 ? A -9.953 -2.964 6.969 1.000 1 A 94.142 1 ATOM 346 O O . THR 40 564 ? A -11.122 -2.747 7.294 1.000 1 A 94.142 1 ATOM 347 C CB . THR 40 564 ? A -9.115 -5.293 6.582 1.000 1 A 94.142 1 ATOM 348 O OG1 . THR 40 564 ? A -8.918 -6.305 5.587 1.000 1 A 94.142 1 ATOM 349 C CG2 . THR 40 564 ? A -10.112 -5.802 7.618 1.000 1 A 94.142 1 ATOM 350 N N . VAL 41 565 ? A -8.985 -2.349 7.467 1.000 1 A 92.647 1 ATOM 351 C CA . VAL 41 565 ? A -9.179 -1.317 8.479 1.000 1 A 92.647 1 ATOM 352 C C . VAL 41 565 ? A -9.953 -0.144 7.881 1.000 1 A 92.647 1 ATOM 353 O O . VAL 41 565 ? A -10.915 0.342 8.480 1.000 1 A 92.647 1 ATOM 354 C CB . VAL 41 565 ? A -7.831 -0.827 9.055 1.000 1 A 92.647 1 ATOM 355 C CG1 . VAL 41 565 ? A -8.044 0.357 9.997 1.000 1 A 92.647 1 ATOM 356 C CG2 . VAL 41 565 ? A -7.114 -1.966 9.778 1.000 1 A 92.647 1 ATOM 357 N N . ALA 42 566 ? A -9.547 0.282 6.741 1.000 1 A 92.581 1 ATOM 358 C CA . ALA 42 566 ? A -10.198 1.404 6.071 1.000 1 A 92.581 1 ATOM 359 C C . ALA 42 566 ? A -11.665 1.095 5.784 1.000 1 A 92.581 1 ATOM 360 O O . ALA 42 566 ? A -12.535 1.946 5.982 1.000 1 A 92.581 1 ATOM 361 C CB . ALA 42 566 ? A -9.466 1.748 4.776 1.000 1 A 92.581 1 ATOM 362 N N . ARG 43 567 ? A -11.913 -0.070 5.352 1.000 1 A 95.170 1 ATOM 363 C CA . ARG 43 567 ? A -13.274 -0.464 5.002 1.000 1 A 95.170 1 ATOM 364 C C . ARG 43 567 ? A -14.196 -0.383 6.214 1.000 1 A 95.170 1 ATOM 365 O O . ARG 43 567 ? A -15.346 0.046 6.098 1.000 1 A 95.170 1 ATOM 366 C CB . ARG 43 567 ? A -13.292 -1.880 4.423 1.000 1 A 95.170 1 ATOM 367 C CG . ARG 43 567 ? A -14.599 -2.250 3.740 1.000 1 A 95.170 1 ATOM 368 C CD . ARG 43 567 ? A -14.556 -3.659 3.166 1.000 1 A 95.170 1 ATOM 369 N NE . ARG 43 567 ? A -13.510 -3.799 2.157 1.000 1 A 95.170 1 ATOM 370 C CZ . ARG 43 567 ? A -12.573 -4.743 2.162 1.000 1 A 95.170 1 ATOM 371 N NH1 . ARG 43 567 ? A -12.533 -5.653 3.128 1.000 1 A 95.170 1 ATOM 372 N NH2 . ARG 43 567 ? A -11.669 -4.777 1.194 1.000 1 A 95.170 1 ATOM 373 N N . ARG 44 568 ? A -13.684 -0.781 7.298 1.000 1 A 94.434 1 ATOM 374 C CA . ARG 44 568 ? A -14.473 -0.746 8.526 1.000 1 A 94.434 1 ATOM 375 C C . ARG 44 568 ? A -14.878 0.682 8.875 1.000 1 A 94.434 1 ATOM 376 O O . ARG 44 568 ? A -16.040 0.942 9.196 1.000 1 A 94.434 1 ATOM 377 C CB . ARG 44 568 ? A -13.691 -1.368 9.685 1.000 1 A 94.434 1 ATOM 378 C CG . ARG 44 568 ? A -14.570 -1.877 10.817 1.000 1 A 94.434 1 ATOM 379 C CD . ARG 44 568 ? A -13.825 -2.857 11.712 1.000 1 A 94.434 1 ATOM 380 N NE . ARG 44 568 ? A -14.733 -3.564 12.611 1.000 1 A 94.434 1 ATOM 381 C CZ . ARG 44 568 ? A -14.406 -4.012 13.820 1.000 1 A 94.434 1 ATOM 382 N NH1 . ARG 44 568 ? A -13.180 -3.835 14.300 1.000 1 A 94.434 1 ATOM 383 N NH2 . ARG 44 568 ? A -15.311 -4.642 14.555 1.000 1 A 94.434 1 ATOM 384 N N . PHE 45 569 ? A -14.038 1.557 8.720 1.000 1 A 94.431 1 ATOM 385 C CA . PHE 45 569 ? A -14.326 2.939 9.086 1.000 1 A 94.431 1 ATOM 386 C C . PHE 45 569 ? A -15.203 3.606 8.032 1.000 1 A 94.431 1 ATOM 387 O O . PHE 45 569 ? A -16.031 4.460 8.357 1.000 1 A 94.431 1 ATOM 388 C CB . PHE 45 569 ? A -13.027 3.730 9.266 1.000 1 A 94.431 1 ATOM 389 C CG . PHE 45 569 ? A -12.329 3.462 10.572 1.000 1 A 94.431 1 ATOM 390 C CD1 . PHE 45 569 ? A -12.763 4.066 11.745 1.000 1 A 94.431 1 ATOM 391 C CD2 . PHE 45 569 ? A -11.238 2.604 10.626 1.000 1 A 94.431 1 ATOM 392 C CE1 . PHE 45 569 ? A -12.118 3.820 12.955 1.000 1 A 94.431 1 ATOM 393 C CE2 . PHE 45 569 ? A -10.589 2.352 11.831 1.000 1 A 94.431 1 ATOM 394 C CZ . PHE 45 569 ? A -11.030 2.962 12.994 1.000 1 A 94.431 1 ATOM 395 N N . ILE 46 570 ? A -15.014 3.243 6.807 1.000 1 A 94.773 1 ATOM 396 C CA . ILE 46 570 ? A -15.892 3.742 5.754 1.000 1 A 94.773 1 ATOM 397 C C . ILE 46 570 ? A -17.327 3.298 6.026 1.000 1 A 94.773 1 ATOM 398 O O . ILE 46 570 ? A -18.266 4.085 5.880 1.000 1 A 94.773 1 ATOM 399 C CB . ILE 46 570 ? A -15.436 3.257 4.360 1.000 1 A 94.773 1 ATOM 400 C CG1 . ILE 46 570 ? A -14.122 3.940 3.961 1.000 1 A 94.773 1 ATOM 401 C CG2 . ILE 46 570 ? A -16.526 3.514 3.316 1.000 1 A 94.773 1 ATOM 402 C CD1 . ILE 46 570 ? A -13.460 3.336 2.730 1.000 1 A 94.773 1 ATOM 403 N N . LYS 47 571 ? A -17.519 2.114 6.448 1.000 1 A 95.524 1 ATOM 404 C CA . LYS 47 571 ? A -18.841 1.588 6.776 1.000 1 A 95.524 1 ATOM 405 C C . LYS 47 571 ? A -19.452 2.333 7.959 1.000 1 A 95.524 1 ATOM 406 O O . LYS 47 571 ? A -20.628 2.702 7.927 1.000 1 A 95.524 1 ATOM 407 C CB . LYS 47 571 ? A -18.763 0.092 7.082 1.000 1 A 95.524 1 ATOM 408 C CG . LYS 47 571 ? A -20.117 -0.570 7.289 1.000 1 A 95.524 1 ATOM 409 C CD . LYS 47 571 ? A -19.976 -2.064 7.549 1.000 1 A 95.524 1 ATOM 410 C CE . LYS 47 571 ? A -21.322 -2.710 7.849 1.000 1 A 95.524 1 ATOM 411 N NZ . LYS 47 571 ? A -21.189 -4.176 8.102 1.000 1 A 95.524 1 ATOM 412 N N . LEU 48 572 ? A -18.660 2.496 8.966 1.000 1 A 94.703 1 ATOM 413 C CA . LEU 48 572 ? A -19.132 3.215 10.145 1.000 1 A 94.703 1 ATOM 414 C C . LEU 48 572 ? A -19.480 4.658 9.798 1.000 1 A 94.703 1 ATOM 415 O O . LEU 48 572 ? A -20.472 5.198 10.293 1.000 1 A 94.703 1 ATOM 416 C CB . LEU 48 572 ? A -18.074 3.184 11.251 1.000 1 A 94.703 1 ATOM 417 C CG . LEU 48 572 ? A -17.856 1.837 11.943 1.000 1 A 94.703 1 ATOM 418 C CD1 . LEU 48 572 ? A -16.618 1.892 12.831 1.000 1 A 94.703 1 ATOM 419 C CD2 . LEU 48 572 ? A -19.087 1.449 12.756 1.000 1 A 94.703 1 ATOM 420 N N . ASP 49 573 ? A -18.660 5.202 8.927 1.000 1 A 92.032 1 ATOM 421 C CA . ASP 49 573 ? A -18.909 6.573 8.489 1.000 1 A 92.032 1 ATOM 422 C C . ASP 49 573 ? A -20.203 6.666 7.685 1.000 1 A 92.032 1 ATOM 423 O O . ASP 49 573 ? A -20.981 7.607 7.857 1.000 1 A 92.032 1 ATOM 424 C CB . ASP 49 573 ? A -17.734 7.092 7.657 1.000 1 A 92.032 1 ATOM 425 C CG . ASP 49 573 ? A -17.830 8.577 7.358 1.000 1 A 92.032 1 ATOM 426 O OD1 . ASP 49 573 ? A -17.952 9.384 8.305 1.000 1 A 92.032 1 ATOM 427 O OD2 . ASP 49 573 ? A -17.786 8.945 6.164 1.000 1 A 92.032 1 ATOM 428 N N . ALA 50 574 ? A -20.413 5.775 6.833 1.000 1 A 94.503 1 ATOM 429 C CA . ALA 50 574 ? A -21.641 5.731 6.043 1.000 1 A 94.503 1 ATOM 430 C C . ALA 50 574 ? A -22.868 5.601 6.941 1.000 1 A 94.503 1 ATOM 431 O O . ALA 50 574 ? A -23.890 6.248 6.703 1.000 1 A 94.503 1 ATOM 432 C CB . ALA 50 574 ? A -21.590 4.575 5.046 1.000 1 A 94.503 1 ATOM 433 N N . GLN 51 575 ? A -22.763 4.747 7.963 1.000 1 A 94.522 1 ATOM 434 C CA . GLN 51 575 ? A -23.843 4.562 8.927 1.000 1 A 94.522 1 ATOM 435 C C . GLN 51 575 ? A -24.115 5.848 9.702 1.000 1 A 94.522 1 ATOM 436 O O . GLN 51 575 ? A -25.272 6.215 9.919 1.000 1 A 94.522 1 ATOM 437 C CB . GLN 51 575 ? A -23.511 3.425 9.895 1.000 1 A 94.522 1 ATOM 438 C CG . GLN 51 575 ? A -23.515 2.046 9.249 1.000 1 A 94.522 1 ATOM 439 C CD . GLN 51 575 ? A -23.196 0.936 10.233 1.000 1 A 94.522 1 ATOM 440 O OE1 . GLN 51 575 ? A -22.472 1.145 11.211 1.000 1 A 94.522 1 ATOM 441 N NE2 . GLN 51 575 ? A -23.734 -0.252 9.980 1.000 1 A 94.522 1 ATOM 442 N N . ARG 52 576 ? A -23.134 6.443 10.092 1.000 1 A 92.288 1 ATOM 443 C CA . ARG 52 576 ? A -23.238 7.686 10.850 1.000 1 A 92.288 1 ATOM 444 C C . ARG 52 576 ? A -23.942 8.766 10.035 1.000 1 A 92.288 1 ATOM 445 O O . ARG 52 576 ? A -24.762 9.517 10.567 1.000 1 A 92.288 1 ATOM 446 C CB . ARG 52 576 ? A -21.852 8.172 11.279 1.000 1 A 92.288 1 ATOM 447 C CG . ARG 52 576 ? A -21.881 9.392 12.186 1.000 1 A 92.288 1 ATOM 448 C CD . ARG 52 576 ? A -20.486 9.956 12.417 1.000 1 A 92.288 1 ATOM 449 N NE . ARG 52 576 ? A -19.852 10.356 11.164 1.000 1 A 92.288 1 ATOM 450 C CZ . ARG 52 576 ? A -18.564 10.661 11.029 1.000 1 A 92.288 1 ATOM 451 N NH1 . ARG 52 576 ? A -17.744 10.616 12.073 1.000 1 A 92.288 1 ATOM 452 N NH2 . ARG 52 576 ? A -18.092 11.012 9.842 1.000 1 A 92.288 1 ATOM 453 N N . LYS 53 577 ? A -23.657 8.847 8.746 1.000 1 A 92.348 1 ATOM 454 C CA . LYS 53 577 ? A -24.219 9.867 7.864 1.000 1 A 92.348 1 ATOM 455 C C . LYS 53 577 ? A -25.708 9.630 7.629 1.000 1 A 92.348 1 ATOM 456 O O . LYS 53 577 ? A -26.450 10.566 7.322 1.000 1 A 92.348 1 ATOM 457 C CB . LYS 53 577 ? A -23.475 9.891 6.529 1.000 1 A 92.348 1 ATOM 458 C CG . LYS 53 577 ? A -22.071 10.472 6.612 1.000 1 A 92.348 1 ATOM 459 C CD . LYS 53 577 ? A -21.370 10.437 5.261 1.000 1 A 92.348 1 ATOM 460 C CE . LYS 53 577 ? A -19.978 11.051 5.336 1.000 1 A 92.348 1 ATOM 461 N NZ . LYS 53 577 ? A -19.224 10.871 4.059 1.000 1 A 92.348 1 ATOM 462 N N . ARG 54 578 ? A -26.179 8.406 7.818 1.000 1 A 93.675 1 ATOM 463 C CA . ARG 54 578 ? A -27.581 8.064 7.599 1.000 1 A 93.675 1 ATOM 464 C C . ARG 54 578 ? A -28.409 8.319 8.854 1.000 1 A 93.675 1 ATOM 465 O O . ARG 54 578 ? A -29.637 8.408 8.786 1.000 1 A 93.675 1 ATOM 466 C CB . ARG 54 578 ? A -27.716 6.601 7.170 1.000 1 A 93.675 1 ATOM 467 C CG . ARG 54 578 ? A -27.136 6.306 5.796 1.000 1 A 93.675 1 ATOM 468 C CD . ARG 54 578 ? A -27.256 4.831 5.439 1.000 1 A 93.675 1 ATOM 469 N NE . ARG 54 578 ? A -26.615 4.532 4.161 1.000 1 A 93.675 1 ATOM 470 C CZ . ARG 54 578 ? A -26.446 3.310 3.665 1.000 1 A 93.675 1 ATOM 471 N NH1 . ARG 54 578 ? A -26.870 2.243 4.333 1.000 1 A 93.675 1 ATOM 472 N NH2 . ARG 54 578 ? A -25.850 3.152 2.493 1.000 1 A 93.675 1 ATOM 473 N N . LEU 55 579 ? A -27.772 8.460 9.949 1.000 1 A 93.516 1 ATOM 474 C CA . LEU 55 579 ? A -28.461 8.584 11.228 1.000 1 A 93.516 1 ATOM 475 C C . LEU 55 579 ? A -28.532 10.042 11.669 1.000 1 A 93.516 1 ATOM 476 O O . LEU 55 579 ? A -27.736 10.870 11.219 1.000 1 A 93.516 1 ATOM 477 C CB . LEU 55 579 ? A -27.756 7.749 12.300 1.000 1 A 93.516 1 ATOM 478 C CG . LEU 55 579 ? A -27.616 6.253 12.011 1.000 1 A 93.516 1 ATOM 479 C CD1 . LEU 55 579 ? A -26.746 5.588 13.072 1.000 1 A 93.516 1 ATOM 480 C CD2 . LEU 55 579 ? A -28.988 5.590 11.944 1.000 1 A 93.516 1 ATOM 481 N N . SER 56 580 ? A -29.556 10.390 12.380 1.000 1 A 92.308 1 ATOM 482 C CA . SER 56 580 ? A -29.754 11.728 12.927 1.000 1 A 92.308 1 ATOM 483 C C . SER 56 580 ? A -28.867 11.964 14.145 1.000 1 A 92.308 1 ATOM 484 O O . SER 56 580 ? A -28.811 11.129 15.050 1.000 1 A 92.308 1 ATOM 485 C CB . SER 56 580 ? A -31.220 11.942 13.305 1.000 1 A 92.308 1 ATOM 486 O OG . SER 56 580 ? A -31.417 13.237 13.845 1.000 1 A 92.308 1 ATOM 487 N N . PRO 57 581 ? A -28.127 13.110 14.038 1.000 1 A 87.725 1 ATOM 488 C CA . PRO 57 581 ? A -27.310 13.495 15.190 1.000 1 A 87.725 1 ATOM 489 C C . PRO 57 581 ? A -28.122 13.611 16.478 1.000 1 A 87.725 1 ATOM 490 O O . PRO 57 581 ? A -29.231 14.152 16.465 1.000 1 A 87.725 1 ATOM 491 C CB . PRO 57 581 ? A -26.739 14.855 14.780 1.000 1 A 87.725 1 ATOM 492 C CG . PRO 57 581 ? A -26.887 14.898 13.293 1.000 1 A 87.725 1 ATOM 493 C CD . PRO 57 581 ? A -28.060 14.043 12.906 1.000 1 A 87.725 1 ATOM 494 N N . GLY 58 582 ? A -27.936 12.712 17.542 1.000 1 A 89.083 1 ATOM 495 C CA . GLY 58 582 ? A -28.615 12.706 18.828 1.000 1 A 89.083 1 ATOM 496 C C . GLY 58 582 ? A -29.391 11.429 19.087 1.000 1 A 89.083 1 ATOM 497 O O . GLY 58 582 ? A -29.849 11.191 20.206 1.000 1 A 89.083 1 ATOM 498 N N . SER 59 583 ? A -29.592 10.745 17.995 1.000 1 A 94.707 1 ATOM 499 C CA . SER 59 583 ? A -30.283 9.470 18.159 1.000 1 A 94.707 1 ATOM 500 C C . SER 59 583 ? A -29.398 8.450 18.868 1.000 1 A 94.707 1 ATOM 501 O O . SER 59 583 ? A -28.174 8.593 18.893 1.000 1 A 94.707 1 ATOM 502 C CB . SER 59 583 ? A -30.723 8.920 16.802 1.000 1 A 94.707 1 ATOM 503 O OG . SER 59 583 ? A -29.605 8.471 16.055 1.000 1 A 94.707 1 ATOM 504 N N . LYS 60 584 ? A -30.044 7.591 19.620 1.000 1 A 94.956 1 ATOM 505 C CA . LYS 60 584 ? A -29.338 6.510 20.302 1.000 1 A 94.956 1 ATOM 506 C C . LYS 60 584 ? A -28.474 5.716 19.326 1.000 1 A 94.956 1 ATOM 507 O O . LYS 60 584 ? A -27.348 5.336 19.653 1.000 1 A 94.956 1 ATOM 508 C CB . LYS 60 584 ? A -30.328 5.578 21.002 1.000 1 A 94.956 1 ATOM 509 C CG . LYS 60 584 ? A -29.671 4.457 21.793 1.000 1 A 94.956 1 ATOM 510 C CD . LYS 60 584 ? A -28.838 5.001 22.947 1.000 1 A 94.956 1 ATOM 511 C CE . LYS 60 584 ? A -28.226 3.878 23.773 1.000 1 A 94.956 1 ATOM 512 N NZ . LYS 60 584 ? A -27.365 4.406 24.873 1.000 1 A 94.956 1 ATOM 513 N N . GLU 61 585 ? A -29.017 5.557 18.160 1.000 1 A 94.156 1 ATOM 514 C CA . GLU 61 585 ? A -28.293 4.820 17.129 1.000 1 A 94.156 1 ATOM 515 C C . GLU 61 585 ? A -27.025 5.558 16.710 1.000 1 A 94.156 1 ATOM 516 O O . GLU 61 585 ? A -25.990 4.934 16.465 1.000 1 A 94.156 1 ATOM 517 C CB . GLU 61 585 ? A -29.189 4.578 15.912 1.000 1 A 94.156 1 ATOM 518 C CG . GLU 61 585 ? A -30.363 3.650 16.186 1.000 1 A 94.156 1 ATOM 519 C CD . GLU 61 585 ? A -31.566 4.363 16.780 1.000 1 A 94.156 1 ATOM 520 O OE1 . GLU 61 585 ? A -32.576 3.693 17.094 1.000 1 A 94.156 1 ATOM 521 O OE2 . GLU 61 585 ? A -31.499 5.604 16.934 1.000 1 A 94.156 1 ATOM 522 N N . TYR 62 586 ? A -27.157 6.837 16.528 1.000 1 A 94.578 1 ATOM 523 C CA . TYR 62 586 ? A -25.994 7.662 16.223 1.000 1 A 94.578 1 ATOM 524 C C . TYR 62 586 ? A -24.927 7.520 17.301 1.000 1 A 94.578 1 ATOM 525 O O . TYR 62 586 ? A -23.741 7.372 16.994 1.000 1 A 94.578 1 ATOM 526 C CB . TYR 62 586 ? A -26.400 9.132 16.080 1.000 1 A 94.578 1 ATOM 527 C CG . TYR 62 586 ? A -25.259 10.042 15.696 1.000 1 A 94.578 1 ATOM 528 C CD1 . TYR 62 586 ? A -24.453 10.630 16.668 1.000 1 A 94.578 1 ATOM 529 C CD2 . TYR 62 586 ? A -24.986 10.318 14.360 1.000 1 A 94.578 1 ATOM 530 C CE1 . TYR 62 586 ? A -23.402 11.471 16.318 1.000 1 A 94.578 1 ATOM 531 C CE2 . TYR 62 586 ? A -23.937 11.157 13.999 1.000 1 A 94.578 1 ATOM 532 C CZ . TYR 62 586 ? A -23.152 11.728 14.984 1.000 1 A 94.578 1 ATOM 533 O OH . TYR 62 586 ? A -22.112 12.560 14.632 1.000 1 A 94.578 1 ATOM 534 N N . GLN 63 587 ? A -25.307 7.530 18.583 1.000 1 A 94.496 1 ATOM 535 C CA . GLN 63 587 ? A -24.392 7.369 19.708 1.000 1 A 94.496 1 ATOM 536 C C . GLN 63 587 ? A -23.731 5.993 19.687 1.000 1 A 94.496 1 ATOM 537 O O . GLN 63 587 ? A -22.544 5.864 19.992 1.000 1 A 94.496 1 ATOM 538 C CB . GLN 63 587 ? A -25.126 7.578 21.033 1.000 1 A 94.496 1 ATOM 539 C CG . GLN 63 587 ? A -25.510 9.027 21.301 1.000 1 A 94.496 1 ATOM 540 C CD . GLN 63 587 ? A -26.310 9.196 22.579 1.000 1 A 94.496 1 ATOM 541 O OE1 . GLN 63 587 ? A -26.680 8.213 23.230 1.000 1 A 94.496 1 ATOM 542 N NE2 . GLN 63 587 ? A -26.584 10.443 22.947 1.000 1 A 94.496 1 ATOM 543 N N . ASN 64 588 ? A -24.519 5.036 19.335 1.000 1 A 95.244 1 ATOM 544 C CA . ASN 64 588 ? A -23.974 3.685 19.240 1.000 1 A 95.244 1 ATOM 545 C C . ASN 64 588 ? A -22.878 3.597 18.183 1.000 1 A 95.244 1 ATOM 546 O O . ASN 64 588 ? A -21.843 2.966 18.407 1.000 1 A 95.244 1 ATOM 547 C CB . ASN 64 588 ? A -25.085 2.678 18.939 1.000 1 A 95.244 1 ATOM 548 C CG . ASN 64 588 ? A -26.023 2.474 20.112 1.000 1 A 95.244 1 ATOM 549 O OD1 . ASN 64 588 ? A -25.713 2.855 21.244 1.000 1 A 95.244 1 ATOM 550 N ND2 . ASN 64 588 ? A -27.177 1.872 19.851 1.000 1 A 95.244 1 ATOM 551 N N . VAL 65 589 ? A -23.158 4.124 16.969 1.000 1 A 94.635 1 ATOM 552 C CA . VAL 65 589 ? A -22.162 4.132 15.902 1.000 1 A 94.635 1 ATOM 553 C C . VAL 65 589 ? A -20.914 4.880 16.365 1.000 1 A 94.635 1 ATOM 554 O O . VAL 65 589 ? A -19.790 4.443 16.109 1.000 1 A 94.635 1 ATOM 555 C CB . VAL 65 589 ? A -22.719 4.773 14.610 1.000 1 A 94.635 1 ATOM 556 C CG1 . VAL 65 589 ? A -21.607 4.971 13.583 1.000 1 A 94.635 1 ATOM 557 C CG2 . VAL 65 589 ? A -23.840 3.913 14.030 1.000 1 A 94.635 1 ATOM 558 N N . HIS 66 590 ? A -21.156 5.957 17.021 1.000 1 A 92.508 1 ATOM 559 C CA . HIS 66 590 ? A -20.042 6.730 17.559 1.000 1 A 92.508 1 ATOM 560 C C . HIS 66 590 ? A -19.204 5.894 18.520 1.000 1 A 92.508 1 ATOM 561 O O . HIS 66 590 ? A -17.972 5.917 18.457 1.000 1 A 92.508 1 ATOM 562 C CB . HIS 66 590 ? A -20.555 7.986 18.267 1.000 1 A 92.508 1 ATOM 563 C CG . HIS 66 590 ? A -19.466 8.873 18.779 1.000 1 A 92.508 1 ATOM 564 N ND1 . HIS 66 590 ? A -18.626 9.578 17.944 1.000 1 A 92.508 1 ATOM 565 C CD2 . HIS 66 590 ? A -19.082 9.171 20.043 1.000 1 A 92.508 1 ATOM 566 C CE1 . HIS 66 590 ? A -17.770 10.273 18.675 1.000 1 A 92.508 1 ATOM 567 N NE2 . HIS 66 590 ? A -18.025 10.043 19.951 1.000 1 A 92.508 1 ATOM 568 N N . GLU 67 591 ? A -19.810 5.196 19.377 1.000 1 A 94.775 1 ATOM 569 C CA . GLU 67 591 ? A -19.110 4.314 20.306 1.000 1 A 94.775 1 ATOM 570 C C . GLU 67 591 ? A -18.365 3.209 19.564 1.000 1 A 94.775 1 ATOM 571 O O . GLU 67 591 ? A -17.236 2.865 19.922 1.000 1 A 94.775 1 ATOM 572 C CB . GLU 67 591 ? A -20.092 3.704 21.311 1.000 1 A 94.775 1 ATOM 573 C CG . GLU 67 591 ? A -19.425 2.863 22.389 1.000 1 A 94.775 1 ATOM 574 C CD . GLU 67 591 ? A -18.627 3.688 23.386 1.000 1 A 94.775 1 ATOM 575 O OE1 . GLU 67 591 ? A -17.431 3.387 23.604 1.000 1 A 94.775 1 ATOM 576 O OE2 . GLU 67 591 ? A -19.202 4.643 23.954 1.000 1 A 94.775 1 ATOM 577 N N . GLU 68 592 ? A -18.960 2.707 18.567 1.000 1 A 95.374 1 ATOM 578 C CA . GLU 68 592 ? A -18.330 1.667 17.760 1.000 1 A 95.374 1 ATOM 579 C C . GLU 68 592 ? A -17.057 2.180 17.094 1.000 1 A 95.374 1 ATOM 580 O O . GLU 68 592 ? A -16.063 1.456 17.002 1.000 1 A 95.374 1 ATOM 581 C CB . GLU 68 592 ? A -19.304 1.144 16.700 1.000 1 A 95.374 1 ATOM 582 C CG . GLU 68 592 ? A -18.850 -0.145 16.031 1.000 1 A 95.374 1 ATOM 583 C CD . GLU 68 592 ? A -19.923 -0.777 15.158 1.000 1 A 95.374 1 ATOM 584 O OE1 . GLU 68 592 ? A -19.638 -1.796 14.489 1.000 1 A 95.374 1 ATOM 585 O OE2 . GLU 68 592 ? A -21.057 -0.249 15.143 1.000 1 A 95.374 1 ATOM 586 N N . VAL 69 593 ? A -17.121 3.363 16.599 1.000 1 A 94.255 1 ATOM 587 C CA . VAL 69 593 ? A -15.949 3.977 15.983 1.000 1 A 94.255 1 ATOM 588 C C . VAL 69 593 ? A -14.801 4.024 16.989 1.000 1 A 94.255 1 ATOM 589 O O . VAL 69 593 ? A -13.670 3.654 16.667 1.000 1 A 94.255 1 ATOM 590 C CB . VAL 69 593 ? A -16.261 5.399 15.463 1.000 1 A 94.255 1 ATOM 591 C CG1 . VAL 69 593 ? A -14.977 6.115 15.049 1.000 1 A 94.255 1 ATOM 592 C CG2 . VAL 69 593 ? A -17.243 5.335 14.295 1.000 1 A 94.255 1 ATOM 593 N N . LEU 70 594 ? A -15.084 4.455 18.210 1.000 1 A 94.469 1 ATOM 594 C CA . LEU 70 594 ? A -14.073 4.553 19.258 1.000 1 A 94.469 1 ATOM 595 C C . LEU 70 594 ? A -13.525 3.176 19.614 1.000 1 A 94.469 1 ATOM 596 O O . LEU 70 594 ? A -12.320 3.019 19.827 1.000 1 A 94.469 1 ATOM 597 C CB . LEU 70 594 ? A -14.657 5.221 20.506 1.000 1 A 94.469 1 ATOM 598 C CG . LEU 70 594 ? A -14.975 6.713 20.391 1.000 1 A 94.469 1 ATOM 599 C CD1 . LEU 70 594 ? A -15.636 7.214 21.670 1.000 1 A 94.469 1 ATOM 600 C CD2 . LEU 70 594 ? A -13.709 7.508 20.089 1.000 1 A 94.469 1 ATOM 601 N N . GLN 71 595 ? A -14.437 2.236 19.650 1.000 1 A 95.246 1 ATOM 602 C CA . GLN 71 595 ? A -14.031 0.870 19.959 1.000 1 A 95.246 1 ATOM 603 C C . GLN 71 595 ? A -13.103 0.315 18.882 1.000 1 A 95.246 1 ATOM 604 O O . GLN 71 595 ? A -12.107 -0.342 19.191 1.000 1 A 95.246 1 ATOM 605 C CB . GLN 71 595 ? A -15.255 -0.034 20.113 1.000 1 A 95.246 1 ATOM 606 C CG . GLN 71 595 ? A -16.032 0.199 21.402 1.000 1 A 95.246 1 ATOM 607 C CD . GLN 71 595 ? A -17.265 -0.679 21.511 1.000 1 A 95.246 1 ATOM 608 O OE1 . GLN 71 595 ? A -17.621 -1.391 20.567 1.000 1 A 95.246 1 ATOM 609 N NE2 . GLN 71 595 ? A -17.925 -0.635 22.663 1.000 1 A 95.246 1 ATOM 610 N N . GLU 72 596 ? A -13.474 0.522 17.682 1.000 1 A 93.472 1 ATOM 611 C CA . GLU 72 596 ? A -12.657 0.038 16.573 1.000 1 A 93.472 1 ATOM 612 C C . GLU 72 596 ? A -11.269 0.673 16.592 1.000 1 A 93.472 1 ATOM 613 O O . GLU 72 596 ? A -10.267 -0.007 16.360 1.000 1 A 93.472 1 ATOM 614 C CB . GLU 72 596 ? A -13.346 0.318 15.235 1.000 1 A 93.472 1 ATOM 615 C CG . GLU 72 596 ? A -14.531 -0.593 14.950 1.000 1 A 93.472 1 ATOM 616 C CD . GLU 72 596 ? A -14.155 -2.065 14.890 1.000 1 A 93.472 1 ATOM 617 O OE1 . GLU 72 596 ? A -15.014 -2.923 15.193 1.000 1 A 93.472 1 ATOM 618 O OE2 . GLU 72 596 ? A -12.991 -2.362 14.539 1.000 1 A 93.472 1 ATOM 619 N N . TYR 73 597 ? A -11.236 1.868 16.811 1.000 1 A 91.821 1 ATOM 620 C CA . TYR 73 597 ? A -9.957 2.562 16.912 1.000 1 A 91.821 1 ATOM 621 C C . TYR 73 597 ? A -9.114 1.989 18.046 1.000 1 A 91.821 1 ATOM 622 O O . TYR 73 597 ? A -7.919 1.740 17.874 1.000 1 A 91.821 1 ATOM 623 C CB . TYR 73 597 ? A -10.175 4.062 17.130 1.000 1 A 91.821 1 ATOM 624 C CG . TYR 73 597 ? A -8.894 4.856 17.210 1.000 1 A 91.821 1 ATOM 625 C CD1 . TYR 73 597 ? A -8.369 5.247 18.440 1.000 1 A 91.821 1 ATOM 626 C CD2 . TYR 73 597 ? A -8.206 5.218 16.056 1.000 1 A 91.821 1 ATOM 627 C CE1 . TYR 73 597 ? A -7.190 5.981 18.518 1.000 1 A 91.821 1 ATOM 628 C CE2 . TYR 73 597 ? A -7.026 5.952 16.123 1.000 1 A 91.821 1 ATOM 629 C CZ . TYR 73 597 ? A -6.527 6.327 17.356 1.000 1 A 91.821 1 ATOM 630 O OH . TYR 73 597 ? A -5.359 7.054 17.428 1.000 1 A 91.821 1 ATOM 631 N N . GLN 74 598 ? A -9.697 1.853 19.117 1.000 1 A 93.278 1 ATOM 632 C CA . GLN 74 598 ? A -8.996 1.281 20.262 1.000 1 A 93.278 1 ATOM 633 C C . GLN 74 598 ? A -8.488 -0.124 19.951 1.000 1 A 93.278 1 ATOM 634 O O . GLN 74 598 ? A -7.367 -0.481 20.321 1.000 1 A 93.278 1 ATOM 635 C CB . GLN 74 598 ? A -9.908 1.249 21.490 1.000 1 A 93.278 1 ATOM 636 C CG . GLN 74 598 ? A -9.190 0.877 22.780 1.000 1 A 93.278 1 ATOM 637 C CD . GLN 74 598 ? A -10.102 0.917 23.992 1.000 1 A 93.278 1 ATOM 638 O OE1 . GLN 74 598 ? A -11.159 1.556 23.969 1.000 1 A 93.278 1 ATOM 639 N NE2 . GLN 74 598 ? A -9.700 0.235 25.059 1.000 1 A 93.278 1 ATOM 640 N N . LYS 75 599 ? A -9.326 -0.836 19.292 1.000 1 A 93.938 1 ATOM 641 C CA . LYS 75 599 ? A -8.943 -2.188 18.897 1.000 1 A 93.938 1 ATOM 642 C C . LYS 75 599 ? A -7.702 -2.171 18.008 1.000 1 A 93.938 1 ATOM 643 O O . LYS 75 599 ? A -6.791 -2.981 18.189 1.000 1 A 93.938 1 ATOM 644 C CB . LYS 75 599 ? A -10.096 -2.883 18.171 1.000 1 A 93.938 1 ATOM 645 C CG . LYS 75 599 ? A -9.825 -4.340 17.829 1.000 1 A 93.938 1 ATOM 646 C CD . LYS 75 599 ? A -11.015 -4.981 17.126 1.000 1 A 93.938 1 ATOM 647 C CE . LYS 75 599 ? A -10.710 -6.410 16.699 1.000 1 A 93.938 1 ATOM 648 N NZ . LYS 75 599 ? A -11.868 -7.037 15.994 1.000 1 A 93.938 1 ATOM 649 N N . ILE 76 600 ? A -7.660 -1.293 17.107 1.000 1 A 92.316 1 ATOM 650 C CA . ILE 76 600 ? A -6.528 -1.174 16.195 1.000 1 A 92.316 1 ATOM 651 C C . ILE 76 600 ? A -5.280 -0.760 16.972 1.000 1 A 92.316 1 ATOM 652 O O . ILE 76 600 ? A -4.198 -1.311 16.761 1.000 1 A 92.316 1 ATOM 653 C CB . ILE 76 600 ? A -6.816 -0.161 15.064 1.000 1 A 92.316 1 ATOM 654 C CG1 . ILE 76 600 ? A -7.891 -0.709 14.118 1.000 1 A 92.316 1 ATOM 655 C CG2 . ILE 76 600 ? A -5.532 0.173 14.299 1.000 1 A 92.316 1 ATOM 656 C CD1 . ILE 76 600 ? A -8.426 0.318 13.129 1.000 1 A 92.316 1 ATOM 657 N N . LYS 77 601 ? A -5.443 0.170 17.836 1.000 1 A 89.905 1 ATOM 658 C CA . LYS 77 601 ? A -4.317 0.644 18.636 1.000 1 A 89.905 1 ATOM 659 C C . LYS 77 601 ? A -3.758 -0.472 19.514 1.000 1 A 89.905 1 ATOM 660 O O . LYS 77 601 ? A -2.542 -0.591 19.676 1.000 1 A 89.905 1 ATOM 661 C CB . LYS 77 601 ? A -4.737 1.832 19.503 1.000 1 A 89.905 1 ATOM 662 C CG . LYS 77 601 ? A -3.570 2.610 20.093 1.000 1 A 89.905 1 ATOM 663 C CD . LYS 77 601 ? A -4.046 3.848 20.843 1.000 1 A 89.905 1 ATOM 664 C CE . LYS 77 601 ? A -2.876 4.655 21.391 1.000 1 A 89.905 1 ATOM 665 N NZ . LYS 77 601 ? A -3.337 5.874 22.121 1.000 1 A 89.905 1 ATOM 666 N N . GLN 78 602 ? A -4.632 -1.309 19.968 1.000 1 A 90.770 1 ATOM 667 C CA . GLN 78 602 ? A -4.206 -2.390 20.850 1.000 1 A 90.770 1 ATOM 668 C C . GLN 78 602 ? A -3.659 -3.569 20.051 1.000 1 A 90.770 1 ATOM 669 O O . GLN 78 602 ? A -2.669 -4.189 20.447 1.000 1 A 90.770 1 ATOM 670 C CB . GLN 78 602 ? A -5.365 -2.848 21.737 1.000 1 A 90.770 1 ATOM 671 C CG . GLN 78 602 ? A -5.770 -1.831 22.794 1.000 1 A 90.770 1 ATOM 672 C CD . GLN 78 602 ? A -6.942 -2.295 23.638 1.000 1 A 90.770 1 ATOM 673 O OE1 . GLN 78 602 ? A -7.619 -3.272 23.299 1.000 1 A 90.770 1 ATOM 674 N NE2 . GLN 78 602 ? A -7.192 -1.599 24.742 1.000 1 A 90.770 1 ATOM 675 N N . SER 79 603 ? A -4.297 -3.869 19.066 1.000 1 A 89.595 1 ATOM 676 C CA . SER 79 603 ? A -3.917 -5.058 18.310 1.000 1 A 89.595 1 ATOM 677 C C . SER 79 603 ? A -2.736 -4.774 17.389 1.000 1 A 89.595 1 ATOM 678 O O . SER 79 603 ? A -1.951 -5.673 17.081 1.000 1 A 89.595 1 ATOM 679 C CB . SER 79 603 ? A -5.101 -5.573 17.491 1.000 1 A 89.595 1 ATOM 680 O OG . SER 79 603 ? A -5.505 -4.612 16.530 1.000 1 A 89.595 1 ATOM 681 N N . SER 80 604 ? A -2.587 -3.504 16.951 1.000 1 A 87.168 1 ATOM 682 C CA . SER 80 604 ? A -1.536 -3.164 15.997 1.000 1 A 87.168 1 ATOM 683 C C . SER 80 604 ? A -0.778 -1.914 16.432 1.000 1 A 87.168 1 ATOM 684 O O . SER 80 604 ? A -1.038 -0.818 15.930 1.000 1 A 87.168 1 ATOM 685 C CB . SER 80 604 ? A -2.125 -2.953 14.602 1.000 1 A 87.168 1 ATOM 686 O OG . SER 80 604 ? A -2.806 -4.116 14.163 1.000 1 A 87.168 1 ATOM 687 N N . PRO 81 605 ? A 0.046 -2.102 17.401 1.000 1 A 88.449 1 ATOM 688 C CA . PRO 81 605 ? A 0.791 -0.940 17.892 1.000 1 A 88.449 1 ATOM 689 C C . PRO 81 605 ? A 1.667 -0.303 16.816 1.000 1 A 88.449 1 ATOM 690 O O . PRO 81 605 ? A 2.048 0.864 16.936 1.000 1 A 88.449 1 ATOM 691 C CB . PRO 81 605 ? A 1.649 -1.522 19.019 1.000 1 A 88.449 1 ATOM 692 C CG . PRO 81 605 ? A 1.698 -2.990 18.743 1.000 1 A 88.449 1 ATOM 693 C CD . PRO 81 605 ? A 0.454 -3.377 17.996 1.000 1 A 88.449 1 ATOM 694 N N . ASN 82 606 ? A 1.933 -1.034 15.762 1.000 1 A 91.524 1 ATOM 695 C CA . ASN 82 606 ? A 2.766 -0.497 14.691 1.000 1 A 91.524 1 ATOM 696 C C . ASN 82 606 ? A 1.926 -0.046 13.500 1.000 1 A 91.524 1 ATOM 697 O O . ASN 82 606 ? A 2.399 -0.056 12.362 1.000 1 A 91.524 1 ATOM 698 C CB . ASN 82 606 ? A 3.804 -1.531 14.249 1.000 1 A 91.524 1 ATOM 699 C CG . ASN 82 606 ? A 4.779 -1.889 15.352 1.000 1 A 91.524 1 ATOM 700 O OD1 . ASN 82 606 ? A 5.226 -1.022 16.108 1.000 1 A 91.524 1 ATOM 701 N ND2 . ASN 82 606 ? A 5.116 -3.169 15.454 1.000 1 A 91.524 1 ATOM 702 N N . TYR 83 607 ? A 0.734 0.272 13.683 1.000 1 A 91.609 1 ATOM 703 C CA . TYR 83 607 ? A -0.175 0.599 12.591 1.000 1 A 91.609 1 ATOM 704 C C . TYR 83 607 ? A 0.386 1.728 11.734 1.000 1 A 91.609 1 ATOM 705 O O . TYR 83 607 ? A 0.372 1.648 10.504 1.000 1 A 91.609 1 ATOM 706 C CB . TYR 83 607 ? A -1.551 0.992 13.135 1.000 1 A 91.609 1 ATOM 707 C CG . TYR 83 607 ? A -2.500 1.502 12.078 1.000 1 A 91.609 1 ATOM 708 C CD1 . TYR 83 607 ? A -2.749 2.865 11.937 1.000 1 A 91.609 1 ATOM 709 C CD2 . TYR 83 607 ? A -3.150 0.622 11.219 1.000 1 A 91.609 1 ATOM 710 C CE1 . TYR 83 607 ? A -3.623 3.340 10.965 1.000 1 A 91.609 1 ATOM 711 C CE2 . TYR 83 607 ? A -4.027 1.086 10.243 1.000 1 A 91.609 1 ATOM 712 C CZ . TYR 83 607 ? A -4.256 2.444 10.124 1.000 1 A 91.609 1 ATOM 713 O OH . TYR 83 607 ? A -5.123 2.908 9.160 1.000 1 A 91.609 1 ATOM 714 N N . HIS 84 608 ? A 0.892 2.796 12.417 1.000 1 A 91.911 1 ATOM 715 C CA . HIS 84 608 ? A 1.417 3.945 11.688 1.000 1 A 91.911 1 ATOM 716 C C . HIS 84 608 ? A 2.626 3.557 10.845 1.000 1 A 91.911 1 ATOM 717 O O . HIS 84 608 ? A 2.761 4.003 9.703 1.000 1 A 91.911 1 ATOM 718 C CB . HIS 84 608 ? A 1.790 5.069 12.657 1.000 1 A 91.911 1 ATOM 719 C CG . HIS 84 608 ? A 0.612 5.699 13.329 1.000 1 A 91.911 1 ATOM 720 N ND1 . HIS 84 608 ? A -0.345 6.412 12.640 1.000 1 A 91.911 1 ATOM 721 C CD2 . HIS 84 608 ? A 0.236 5.718 14.629 1.000 1 A 91.911 1 ATOM 722 C CE1 . HIS 84 608 ? A -1.260 6.845 13.490 1.000 1 A 91.911 1 ATOM 723 N NE2 . HIS 84 608 ? A -0.931 6.437 14.704 1.000 1 A 91.911 1 ATOM 724 N N . GLU 85 609 ? A 3.476 2.751 11.346 1.000 1 A 94.825 1 ATOM 725 C CA . GLU 85 609 ? A 4.631 2.276 10.590 1.000 1 A 94.825 1 ATOM 726 C C . GLU 85 609 ? A 4.200 1.412 9.409 1.000 1 A 94.825 1 ATOM 727 O O . GLU 85 609 ? A 4.762 1.519 8.317 1.000 1 A 94.825 1 ATOM 728 C CB . GLU 85 609 ? A 5.581 1.490 11.497 1.000 1 A 94.825 1 ATOM 729 C CG . GLU 85 609 ? A 6.273 2.344 12.551 1.000 1 A 94.825 1 ATOM 730 C CD . GLU 85 609 ? A 7.103 1.532 13.531 1.000 1 A 94.825 1 ATOM 731 O OE1 . GLU 85 609 ? A 7.543 2.090 14.562 1.000 1 A 94.825 1 ATOM 732 O OE2 . GLU 85 609 ? A 7.316 0.327 13.267 1.000 1 A 94.825 1 ATOM 733 N N . GLU 86 610 ? A 3.283 0.561 9.637 1.000 1 A 94.312 1 ATOM 734 C CA . GLU 86 610 ? A 2.763 -0.291 8.571 1.000 1 A 94.312 1 ATOM 735 C C . GLU 86 610 ? A 2.131 0.540 7.459 1.000 1 A 94.312 1 ATOM 736 O O . GLU 86 610 ? A 2.296 0.232 6.276 1.000 1 A 94.312 1 ATOM 737 C CB . GLU 86 610 ? A 1.742 -1.287 9.128 1.000 1 A 94.312 1 ATOM 738 C CG . GLU 86 610 ? A 2.354 -2.366 10.010 1.000 1 A 94.312 1 ATOM 739 C CD . GLU 86 610 ? A 1.329 -3.348 10.554 1.000 1 A 94.312 1 ATOM 740 O OE1 . GLU 86 610 ? A 1.721 -4.308 11.256 1.000 1 A 94.312 1 ATOM 741 O OE2 . GLU 86 610 ? A 0.124 -3.157 10.275 1.000 1 A 94.312 1 ATOM 742 N N . LYS 87 611 ? A 1.418 1.453 7.956 1.000 1 A 94.305 1 ATOM 743 C CA . LYS 87 611 ? A 0.824 2.361 6.978 1.000 1 A 94.305 1 ATOM 744 C C . LYS 87 611 ? A 1.898 3.035 6.130 1.000 1 A 94.305 1 ATOM 745 O O . LYS 87 611 ? A 1.785 3.091 4.904 1.000 1 A 94.305 1 ATOM 746 C CB . LYS 87 611 ? A -0.032 3.418 7.678 1.000 1 A 94.305 1 ATOM 747 C CG . LYS 87 611 ? A -0.762 4.353 6.725 1.000 1 A 94.305 1 ATOM 748 C CD . LYS 87 611 ? A -1.532 5.430 7.479 1.000 1 A 94.305 1 ATOM 749 C CE . LYS 87 611 ? A -2.175 6.429 6.527 1.000 1 A 94.305 1 ATOM 750 N NZ . LYS 87 611 ? A -2.938 7.482 7.261 1.000 1 A 94.305 1 ATOM 751 N N . TYR 88 612 ? A 2.807 3.633 6.780 1.000 1 A 95.562 1 ATOM 752 C CA . TYR 88 612 ? A 3.913 4.264 6.069 1.000 1 A 95.562 1 ATOM 753 C C . TYR 88 612 ? A 4.596 3.274 5.134 1.000 1 A 95.562 1 ATOM 754 O O . TYR 88 612 ? A 4.900 3.604 3.985 1.000 1 A 95.562 1 ATOM 755 C CB . TYR 88 612 ? A 4.932 4.836 7.060 1.000 1 A 95.562 1 ATOM 756 C CG . TYR 88 612 ? A 6.147 5.441 6.399 1.000 1 A 95.562 1 ATOM 757 C CD1 . TYR 88 612 ? A 7.338 4.726 6.298 1.000 1 A 95.562 1 ATOM 758 C CD2 . TYR 88 612 ? A 6.106 6.729 5.874 1.000 1 A 95.562 1 ATOM 759 C CE1 . TYR 88 612 ? A 8.461 5.281 5.692 1.000 1 A 95.562 1 ATOM 760 C CE2 . TYR 88 612 ? A 7.222 7.293 5.266 1.000 1 A 95.562 1 ATOM 761 C CZ . TYR 88 612 ? A 8.393 6.562 5.179 1.000 1 A 95.562 1 ATOM 762 O OH . TYR 88 612 ? A 9.501 7.116 4.578 1.000 1 A 95.562 1 ATOM 763 N N . ARG 89 613 ? A 4.822 2.105 5.608 1.000 1 A 97.185 1 ATOM 764 C CA . ARG 89 613 ? A 5.484 1.075 4.814 1.000 1 A 97.185 1 ATOM 765 C C . ARG 89 613 ? A 4.647 0.701 3.595 1.000 1 A 97.185 1 ATOM 766 O O . ARG 89 613 ? A 5.183 0.521 2.500 1.000 1 A 97.185 1 ATOM 767 C CB . ARG 89 613 ? A 5.755 -0.168 5.665 1.000 1 A 97.185 1 ATOM 768 C CG . ARG 89 613 ? A 6.456 -1.288 4.913 1.000 1 A 97.185 1 ATOM 769 C CD . ARG 89 613 ? A 7.854 -0.880 4.468 1.000 1 A 97.185 1 ATOM 770 N NE . ARG 89 613 ? A 8.565 -1.990 3.840 1.000 1 A 97.185 1 ATOM 771 C CZ . ARG 89 613 ? A 9.629 -1.859 3.052 1.000 1 A 97.185 1 ATOM 772 N NH1 . ARG 89 613 ? A 10.127 -0.659 2.779 1.000 1 A 97.185 1 ATOM 773 N NH2 . ARG 89 613 ? A 10.199 -2.936 2.532 1.000 1 A 97.185 1 ATOM 774 N N . CYS 90 614 ? A 3.344 0.611 3.760 1.000 1 A 97.119 1 ATOM 775 C CA . CYS 90 614 ? A 2.449 0.321 2.645 1.000 1 A 97.119 1 ATOM 776 C C . CYS 90 614 ? A 2.542 1.402 1.576 1.000 1 A 97.119 1 ATOM 777 O O . CYS 90 614 ? A 2.640 1.098 0.386 1.000 1 A 97.119 1 ATOM 778 C CB . CYS 90 614 ? A 1.006 0.198 3.134 1.000 1 A 97.119 1 ATOM 779 S SG . CYS 90 614 ? A -0.146 -0.374 1.866 1.000 1 A 97.119 1 ATOM 780 N N . GLU 91 615 ? A 2.543 2.584 1.963 1.000 1 A 96.469 1 ATOM 781 C CA . GLU 91 615 ? A 2.653 3.705 1.035 1.000 1 A 96.469 1 ATOM 782 C C . GLU 91 615 ? A 4.004 3.702 0.324 1.000 1 A 96.469 1 ATOM 783 O O . GLU 91 615 ? A 4.074 3.918 -0.888 1.000 1 A 96.469 1 ATOM 784 C CB . GLU 91 615 ? A 2.447 5.033 1.768 1.000 1 A 96.469 1 ATOM 785 C CG . GLU 91 615 ? A 1.006 5.288 2.184 1.000 1 A 96.469 1 ATOM 786 C CD . GLU 91 615 ? A 0.835 6.553 3.010 1.000 1 A 96.469 1 ATOM 787 O OE1 . GLU 91 615 ? A -0.298 6.834 3.463 1.000 1 A 96.469 1 ATOM 788 O OE2 . GLU 91 615 ? A 1.842 7.270 3.205 1.000 1 A 96.469 1 ATOM 789 N N . TYR 92 616 ? A 4.985 3.521 1.064 1.000 1 A 97.768 1 ATOM 790 C CA . TYR 92 616 ? A 6.324 3.466 0.488 1.000 1 A 97.768 1 ATOM 791 C C . TYR 92 616 ? A 6.414 2.382 -0.580 1.000 1 A 97.768 1 ATOM 792 O O . TYR 92 616 ? A 6.898 2.630 -1.687 1.000 1 A 97.768 1 ATOM 793 C CB . TYR 92 616 ? A 7.369 3.212 1.578 1.000 1 A 97.768 1 ATOM 794 C CG . TYR 92 616 ? A 8.779 3.098 1.053 1.000 1 A 97.768 1 ATOM 795 C CD1 . TYR 92 616 ? A 9.348 1.853 0.793 1.000 1 A 97.768 1 ATOM 796 C CD2 . TYR 92 616 ? A 9.546 4.234 0.815 1.000 1 A 97.768 1 ATOM 797 C CE1 . TYR 92 616 ? A 10.648 1.742 0.310 1.000 1 A 97.768 1 ATOM 798 C CE2 . TYR 92 616 ? A 10.847 4.135 0.333 1.000 1 A 97.768 1 ATOM 799 C CZ . TYR 92 616 ? A 11.388 2.887 0.083 1.000 1 A 97.768 1 ATOM 800 O OH . TYR 92 616 ? A 12.675 2.784 -0.394 1.000 1 A 97.768 1 ATOM 801 N N . LEU 93 617 ? A 5.986 1.162 -0.255 1.000 1 A 98.102 1 ATOM 802 C CA . LEU 93 617 ? A 6.041 0.045 -1.192 1.000 1 A 98.102 1 ATOM 803 C C . LEU 93 617 ? A 5.182 0.323 -2.421 1.000 1 A 98.102 1 ATOM 804 O O . LEU 93 617 ? A 5.562 -0.027 -3.540 1.000 1 A 98.102 1 ATOM 805 C CB . LEU 93 617 ? A 5.580 -1.247 -0.513 1.000 1 A 98.102 1 ATOM 806 C CG . LEU 93 617 ? A 6.575 -1.903 0.446 1.000 1 A 98.102 1 ATOM 807 C CD1 . LEU 93 617 ? A 5.932 -3.097 1.142 1.000 1 A 98.102 1 ATOM 808 C CD2 . LEU 93 617 ? A 7.836 -2.326 -0.299 1.000 1 A 98.102 1 ATOM 809 N N . HIS 94 618 ? A 3.942 0.931 -2.182 1.000 1 A 97.968 1 ATOM 810 C CA . HIS 94 618 ? A 3.070 1.282 -3.296 1.000 1 A 97.968 1 ATOM 811 C C . HIS 94 618 ? A 3.785 2.189 -4.292 1.000 1 A 97.968 1 ATOM 812 O O . HIS 94 618 ? A 3.789 1.917 -5.494 1.000 1 A 97.968 1 ATOM 813 C CB . HIS 94 618 ? A 1.797 1.962 -2.787 1.000 1 A 97.968 1 ATOM 814 C CG . HIS 94 618 ? A 0.871 2.395 -3.878 1.000 1 A 97.968 1 ATOM 815 N ND1 . HIS 94 618 ? A 0.023 1.522 -4.525 1.000 1 A 97.968 1 ATOM 816 C CD2 . HIS 94 618 ? A 0.657 3.611 -4.433 1.000 1 A 97.968 1 ATOM 817 C CE1 . HIS 94 618 ? A -0.672 2.184 -5.434 1.000 1 A 97.968 1 ATOM 818 N NE2 . HIS 94 618 ? A -0.306 3.454 -5.398 1.000 1 A 97.968 1 ATOM 819 N N . ASN 95 619 ? A 4.393 3.210 -3.778 1.000 1 A 98.049 1 ATOM 820 C CA . ASN 95 619 ? A 5.081 4.178 -4.627 1.000 1 A 98.049 1 ATOM 821 C C . ASN 95 619 ? A 6.305 3.563 -5.300 1.000 1 A 98.049 1 ATOM 822 O O . ASN 95 619 ? A 6.548 3.795 -6.485 1.000 1 A 98.049 1 ATOM 823 C CB . ASN 95 619 ? A 5.484 5.411 -3.816 1.000 1 A 98.049 1 ATOM 824 C CG . ASN 95 619 ? A 4.294 6.263 -3.418 1.000 1 A 98.049 1 ATOM 825 O OD1 . ASN 95 619 ? A 3.290 6.321 -4.133 1.000 1 A 98.049 1 ATOM 826 N ND2 . ASN 95 619 ? A 4.398 6.928 -2.274 1.000 1 A 98.049 1 ATOM 827 N N . LYS 96 620 ? A 7.037 2.817 -4.538 1.000 1 A 98.375 1 ATOM 828 C CA . LYS 96 620 ? A 8.221 2.155 -5.078 1.000 1 A 98.375 1 ATOM 829 C C . LYS 96 620 ? A 7.849 1.196 -6.205 1.000 1 A 98.375 1 ATOM 830 O O . LYS 96 620 ? A 8.430 1.250 -7.290 1.000 1 A 98.375 1 ATOM 831 C CB . LYS 96 620 ? A 8.965 1.403 -3.973 1.000 1 A 98.375 1 ATOM 832 C CG . LYS 96 620 ? A 10.207 0.667 -4.454 1.000 1 A 98.375 1 ATOM 833 C CD . LYS 96 620 ? A 10.911 -0.050 -3.309 1.000 1 A 98.375 1 ATOM 834 C CE . LYS 96 620 ? A 12.095 -0.869 -3.805 1.000 1 A 98.375 1 ATOM 835 N NZ . LYS 96 620 ? A 12.786 -1.577 -2.686 1.000 1 A 98.375 1 ATOM 836 N N . LEU 97 621 ? A 6.911 0.311 -5.986 1.000 1 A 98.517 1 ATOM 837 C CA . LEU 97 621 ? A 6.506 -0.697 -6.960 1.000 1 A 98.517 1 ATOM 838 C C . LEU 97 621 ? A 5.884 -0.045 -8.190 1.000 1 A 98.517 1 ATOM 839 O O . LEU 97 621 ? A 6.114 -0.491 -9.317 1.000 1 A 98.517 1 ATOM 840 C CB . LEU 97 621 ? A 5.515 -1.681 -6.333 1.000 1 A 98.517 1 ATOM 841 C CG . LEU 97 621 ? A 6.040 -2.524 -5.170 1.000 1 A 98.517 1 ATOM 842 C CD1 . LEU 97 621 ? A 4.951 -3.462 -4.661 1.000 1 A 98.517 1 ATOM 843 C CD2 . LEU 97 621 ? A 7.276 -3.311 -5.594 1.000 1 A 98.517 1 ATOM 844 N N . ALA 98 622 ? A 5.074 0.982 -7.941 1.000 1 A 98.245 1 ATOM 845 C CA . ALA 98 622 ? A 4.491 1.737 -9.048 1.000 1 A 98.245 1 ATOM 846 C C . ALA 98 622 ? A 5.577 2.372 -9.911 1.000 1 A 98.245 1 ATOM 847 O O . ALA 98 622 ? A 5.478 2.378 -11.140 1.000 1 A 98.245 1 ATOM 848 C CB . ALA 98 622 ? A 3.542 2.810 -8.518 1.000 1 A 98.245 1 ATOM 849 N N . HIS 99 623 ? A 6.607 2.927 -9.314 1.000 1 A 98.439 1 ATOM 850 C CA . HIS 99 623 ? A 7.730 3.530 -10.021 1.000 1 A 98.439 1 ATOM 851 C C . HIS 99 623 ? A 8.457 2.501 -10.881 1.000 1 A 98.439 1 ATOM 852 O O . HIS 99 623 ? A 8.727 2.749 -12.058 1.000 1 A 98.439 1 ATOM 853 C CB . HIS 99 623 ? A 8.705 4.170 -9.031 1.000 1 A 98.439 1 ATOM 854 C CG . HIS 99 623 ? A 9.895 4.800 -9.683 1.000 1 A 98.439 1 ATOM 855 N ND1 . HIS 99 623 ? A 9.786 5.813 -10.611 1.000 1 A 98.439 1 ATOM 856 C CD2 . HIS 99 623 ? A 11.220 4.560 -9.537 1.000 1 A 98.439 1 ATOM 857 C CE1 . HIS 99 623 ? A 10.996 6.169 -11.009 1.000 1 A 98.439 1 ATOM 858 N NE2 . HIS 99 623 ? A 11.884 5.424 -10.372 1.000 1 A 98.439 1 ATOM 859 N N . ILE 100 624 ? A 8.715 1.384 -10.288 1.000 1 A 98.418 1 ATOM 860 C CA . ILE 100 624 ? A 9.395 0.309 -11.004 1.000 1 A 98.418 1 ATOM 861 C C . ILE 100 624 ? A 8.537 -0.150 -12.180 1.000 1 A 98.418 1 ATOM 862 O O . ILE 100 624 ? A 9.038 -0.315 -13.295 1.000 1 A 98.418 1 ATOM 863 C CB . ILE 100 624 ? A 9.708 -0.882 -10.071 1.000 1 A 98.418 1 ATOM 864 C CG1 . ILE 100 624 ? A 10.761 -0.483 -9.031 1.000 1 A 98.418 1 ATOM 865 C CG2 . ILE 100 624 ? A 10.170 -2.096 -10.882 1.000 1 A 98.418 1 ATOM 866 C CD1 . ILE 100 624 ? A 10.992 -1.531 -7.951 1.000 1 A 98.418 1 ATOM 867 N N . LYS 101 625 ? A 7.266 -0.378 -11.931 1.000 1 A 98.253 1 ATOM 868 C CA . LYS 101 625 ? A 6.342 -0.799 -12.980 1.000 1 A 98.253 1 ATOM 869 C C . LYS 101 625 ? A 6.349 0.184 -14.147 1.000 1 A 98.253 1 ATOM 870 O O . LYS 101 625 ? A 6.350 -0.224 -15.310 1.000 1 A 98.253 1 ATOM 871 C CB . LYS 101 625 ? A 4.925 -0.942 -12.423 1.000 1 A 98.253 1 ATOM 872 C CG . LYS 101 625 ? A 3.956 -1.637 -13.367 1.000 1 A 98.253 1 ATOM 873 C CD . LYS 101 625 ? A 2.602 -1.868 -12.708 1.000 1 A 98.253 1 ATOM 874 C CE . LYS 101 625 ? A 1.660 -2.642 -13.620 1.000 1 A 98.253 1 ATOM 875 N NZ . LYS 101 625 ? A 0.327 -2.861 -12.982 1.000 1 A 98.253 1 ATOM 876 N N . ARG 102 626 ? A 6.349 1.441 -13.781 1.000 1 A 98.470 1 ATOM 877 C CA . ARG 102 626 ? A 6.390 2.480 -14.805 1.000 1 A 98.470 1 ATOM 878 C C . ARG 102 626 ? A 7.670 2.387 -15.629 1.000 1 A 98.470 1 ATOM 879 O O . ARG 102 626 ? A 7.630 2.468 -16.858 1.000 1 A 98.470 1 ATOM 880 C CB . ARG 102 626 ? A 6.276 3.867 -14.168 1.000 1 A 98.470 1 ATOM 881 C CG . ARG 102 626 ? A 6.257 5.007 -15.175 1.000 1 A 98.470 1 ATOM 882 C CD . ARG 102 626 ? A 6.277 6.365 -14.488 1.000 1 A 98.470 1 ATOM 883 N NE . ARG 102 626 ? A 7.507 6.567 -13.728 1.000 1 A 98.470 1 ATOM 884 C CZ . ARG 102 626 ? A 8.682 6.891 -14.260 1.000 1 A 98.470 1 ATOM 885 N NH1 . ARG 102 626 ? A 8.810 7.056 -15.571 1.000 1 A 98.470 1 ATOM 886 N NH2 . ARG 102 626 ? A 9.738 7.050 -13.475 1.000 1 A 98.470 1 ATOM 887 N N . LEU 103 627 ? A 8.823 2.249 -15.030 1.000 1 A 98.569 1 ATOM 888 C CA . LEU 103 627 ? A 10.108 2.153 -15.714 1.000 1 A 98.569 1 ATOM 889 C C . LEU 103 627 ? A 10.124 0.971 -16.677 1.000 1 A 98.569 1 ATOM 890 O O . LEU 103 627 ? A 10.611 1.089 -17.804 1.000 1 A 98.569 1 ATOM 891 C CB . LEU 103 627 ? A 11.246 2.016 -14.699 1.000 1 A 98.569 1 ATOM 892 C CG . LEU 103 627 ? A 11.573 3.262 -13.874 1.000 1 A 98.569 1 ATOM 893 C CD1 . LEU 103 627 ? A 12.582 2.924 -12.781 1.000 1 A 98.569 1 ATOM 894 C CD2 . LEU 103 627 ? A 12.102 4.374 -14.773 1.000 1 A 98.569 1 ATOM 895 N N . ILE 104 628 ? A 9.592 -0.119 -16.221 1.000 1 A 98.211 1 ATOM 896 C CA . ILE 104 628 ? A 9.536 -1.312 -17.059 1.000 1 A 98.211 1 ATOM 897 C C . ILE 104 628 ? A 8.623 -1.058 -18.257 1.000 1 A 98.211 1 ATOM 898 O O . ILE 104 628 ? A 8.962 -1.411 -19.389 1.000 1 A 98.211 1 ATOM 899 C CB . ILE 104 628 ? A 9.044 -2.540 -16.261 1.000 1 A 98.211 1 ATOM 900 C CG1 . ILE 104 628 ? A 10.100 -2.967 -15.235 1.000 1 A 98.211 1 ATOM 901 C CG2 . ILE 104 628 ? A 8.700 -3.695 -17.206 1.000 1 A 98.211 1 ATOM 902 C CD1 . ILE 104 628 ? A 9.616 -4.028 -14.255 1.000 1 A 98.211 1 ATOM 903 N N . GLY 105 629 ? A 7.431 -0.515 -17.973 1.000 1 A 97.815 1 ATOM 904 C CA . GLY 105 629 ? A 6.501 -0.171 -19.036 1.000 1 A 97.815 1 ATOM 905 C C . GLY 105 629 ? A 7.098 0.759 -20.075 1.000 1 A 97.815 1 ATOM 906 O O . GLY 105 629 ? A 6.902 0.565 -21.276 1.000 1 A 97.815 1 ATOM 907 N N . GLU 106 630 ? A 7.818 1.759 -19.656 1.000 1 A 97.989 1 ATOM 908 C CA . GLU 106 630 ? A 8.470 2.709 -20.553 1.000 1 A 97.989 1 ATOM 909 C C . GLU 106 630 ? A 9.520 2.020 -21.419 1.000 1 A 97.989 1 ATOM 910 O O . GLU 106 630 ? A 9.638 2.310 -22.611 1.000 1 A 97.989 1 ATOM 911 C CB . GLU 106 630 ? A 9.111 3.849 -19.756 1.000 1 A 97.989 1 ATOM 912 C CG . GLU 106 630 ? A 8.105 4.805 -19.133 1.000 1 A 97.989 1 ATOM 913 C CD . GLU 106 630 ? A 8.752 5.883 -18.277 1.000 1 A 97.989 1 ATOM 914 O OE1 . GLU 106 630 ? A 8.023 6.736 -17.722 1.000 1 A 97.989 1 ATOM 915 O OE2 . GLU 106 630 ? A 9.997 5.874 -18.162 1.000 1 A 97.989 1 ATOM 916 N N . PHE 107 631 ? A 10.310 1.171 -20.816 1.000 1 A 97.868 1 ATOM 917 C CA . PHE 107 631 ? A 11.332 0.429 -21.544 1.000 1 A 97.868 1 ATOM 918 C C . PHE 107 631 ? A 10.699 -0.477 -22.594 1.000 1 A 97.868 1 ATOM 919 O O . PHE 107 631 ? A 11.153 -0.520 -23.739 1.000 1 A 97.868 1 ATOM 920 C CB . PHE 107 631 ? A 12.185 -0.402 -20.580 1.000 1 A 97.868 1 ATOM 921 C CG . PHE 107 631 ? A 13.248 -1.221 -21.262 1.000 1 A 97.868 1 ATOM 922 C CD1 . PHE 107 631 ? A 13.071 -2.584 -21.466 1.000 1 A 97.868 1 ATOM 923 C CD2 . PHE 107 631 ? A 14.425 -0.627 -21.699 1.000 1 A 97.868 1 ATOM 924 C CE1 . PHE 107 631 ? A 14.053 -3.345 -22.096 1.000 1 A 97.868 1 ATOM 925 C CE2 . PHE 107 631 ? A 15.411 -1.381 -22.330 1.000 1 A 97.868 1 ATOM 926 C CZ . PHE 107 631 ? A 15.223 -2.740 -22.526 1.000 1 A 97.868 1 ATOM 927 N N . ASP 108 632 ? A 9.654 -1.152 -22.209 1.000 1 A 96.747 1 ATOM 928 C CA . ASP 108 632 ? A 8.968 -2.052 -23.132 1.000 1 A 96.747 1 ATOM 929 C C . ASP 108 632 ? A 8.368 -1.281 -24.306 1.000 1 A 96.747 1 ATOM 930 O O . ASP 108 632 ? A 8.381 -1.760 -25.441 1.000 1 A 96.747 1 ATOM 931 C CB . ASP 108 632 ? A 7.874 -2.836 -22.404 1.000 1 A 96.747 1 ATOM 932 C CG . ASP 108 632 ? A 8.428 -3.885 -21.455 1.000 1 A 96.747 1 ATOM 933 O OD1 . ASP 108 632 ? A 9.633 -4.207 -21.539 1.000 1 A 96.747 1 ATOM 934 O OD2 . ASP 108 632 ? A 7.652 -4.395 -20.619 1.000 1 A 96.747 1 ATOM 935 N N . GLN 109 633 ? A 7.818 -0.188 -24.019 1.000 1 A 96.995 1 ATOM 936 C CA . GLN 109 633 ? A 7.264 0.677 -25.055 1.000 1 A 96.995 1 ATOM 937 C C . GLN 109 633 ? A 8.347 1.130 -26.031 1.000 1 A 96.995 1 ATOM 938 O O . GLN 109 633 ? A 8.129 1.144 -27.244 1.000 1 A 96.995 1 ATOM 939 C CB . GLN 109 633 ? A 6.579 1.893 -24.430 1.000 1 A 96.995 1 ATOM 940 C CG . GLN 109 633 ? A 5.881 2.793 -25.441 1.000 1 A 96.995 1 ATOM 941 C CD . GLN 109 633 ? A 5.054 3.882 -24.784 1.000 1 A 96.995 1 ATOM 942 O OE1 . GLN 109 633 ? A 5.458 4.461 -23.770 1.000 1 A 96.995 1 ATOM 943 N NE2 . GLN 109 633 ? A 3.890 4.169 -25.356 1.000 1 A 96.995 1 ATOM 944 N N . GLN 110 634 ? A 9.495 1.525 -25.539 1.000 1 A 96.061 1 ATOM 945 C CA . GLN 110 634 ? A 10.621 1.950 -26.364 1.000 1 A 96.061 1 ATOM 946 C C . GLN 110 634 ? A 11.113 0.810 -27.252 1.000 1 A 96.061 1 ATOM 947 O O . GLN 110 634 ? A 11.470 1.029 -28.411 1.000 1 A 96.061 1 ATOM 948 C CB . GLN 110 634 ? A 11.765 2.465 -25.489 1.000 1 A 96.061 1 ATOM 949 C CG . GLN 110 634 ? A 11.466 3.791 -24.804 1.000 1 A 96.061 1 ATOM 950 C CD . GLN 110 634 ? A 12.570 4.225 -23.857 1.000 1 A 96.061 1 ATOM 951 O OE1 . GLN 110 634 ? A 13.502 3.463 -23.579 1.000 1 A 96.061 1 ATOM 952 N NE2 . GLN 110 634 ? A 12.473 5.451 -23.355 1.000 1 A 96.061 1 ATOM 953 N N . GLN 111 635 ? A 11.110 -0.371 -26.705 1.000 1 A 94.323 1 ATOM 954 C CA . GLN 111 635 ? A 11.551 -1.533 -27.469 1.000 1 A 94.323 1 ATOM 955 C C . GLN 111 635 ? A 10.550 -1.883 -28.566 1.000 1 A 94.323 1 ATOM 956 O O . GLN 111 635 ? A 10.940 -2.283 -29.665 1.000 1 A 94.323 1 ATOM 957 C CB . GLN 111 635 ? A 11.759 -2.735 -26.546 1.000 1 A 94.323 1 ATOM 958 C CG . GLN 111 635 ? A 12.936 -2.582 -25.592 1.000 1 A 94.323 1 ATOM 959 C CD . GLN 111 635 ? A 14.254 -2.375 -26.315 1.000 1 A 94.323 1 ATOM 960 O OE1 . GLN 111 635 ? A 14.504 -2.980 -27.362 1.000 1 A 94.323 1 ATOM 961 N NE2 . GLN 111 635 ? A 15.106 -1.519 -25.762 1.000 1 A 94.323 1 ATOM 962 N N . ALA 112 636 ? A 9.354 -1.766 -28.238 1.000 1 A 94.479 1 ATOM 963 C CA . ALA 112 636 ? A 8.314 -2.030 -29.229 1.000 1 A 94.479 1 ATOM 964 C C . ALA 112 636 ? A 8.379 -1.022 -30.373 1.000 1 A 94.479 1 ATOM 965 O O . ALA 112 636 ? A 8.171 -1.379 -31.535 1.000 1 A 94.479 1 ATOM 966 C CB . ALA 112 636 ? A 6.935 -1.999 -28.575 1.000 1 A 94.479 1 ATOM 967 N N . GLU 113 637 ? A 8.649 0.254 -30.068 1.000 1 A 94.107 1 ATOM 968 C CA . GLU 113 637 ? A 8.759 1.308 -31.072 1.000 1 A 94.107 1 ATOM 969 C C . GLU 113 637 ? A 10.005 1.123 -31.933 1.000 1 A 94.107 1 ATOM 970 O O . GLU 113 637 ? A 10.008 1.477 -33.114 1.000 1 A 94.107 1 ATOM 971 C CB . GLU 113 637 ? A 8.780 2.686 -30.404 1.000 1 A 94.107 1 ATOM 972 C CG . GLU 113 637 ? A 7.461 3.073 -29.751 1.000 1 A 94.107 1 ATOM 973 C CD . GLU 113 637 ? A 7.551 4.349 -28.929 1.000 1 A 94.107 1 ATOM 974 O OE1 . GLU 113 637 ? A 6.546 4.729 -28.286 1.000 1 A 94.107 1 ATOM 975 O OE2 . GLU 113 637 ? A 8.634 4.975 -28.930 1.000 1 A 94.107 1 ATOM 976 N N . SER 114 638 ? A 11.032 0.635 -31.353 1.000 1 A 90.586 1 ATOM 977 C CA . SER 114 638 ? A 12.260 0.390 -32.103 1.000 1 A 90.586 1 ATOM 978 C C . SER 114 638 ? A 12.092 -0.771 -33.076 1.000 1 A 90.586 1 ATOM 979 O O . SER 114 638 ? A 12.712 -0.790 -34.142 1.000 1 A 90.586 1 ATOM 980 C CB . SER 114 638 ? A 13.421 0.104 -31.150 1.000 1 A 90.586 1 ATOM 981 O OG . SER 114 638 ? A 13.152 -1.040 -30.358 1.000 1 A 90.586 1 ATOM 982 N N . TRP 115 639 ? A 11.138 -1.677 -32.817 1.000 1 A 81.061 1 ATOM 983 C CA . TRP 115 639 ? A 10.900 -2.819 -33.693 1.000 1 A 81.061 1 ATOM 984 C C . TRP 115 639 ? A 9.829 -2.496 -34.729 1.000 1 A 81.061 1 ATOM 985 O O . TRP 115 639 ? A 9.722 -3.175 -35.753 1.000 1 A 81.061 1 ATOM 986 C CB . TRP 115 639 ? A 10.485 -4.046 -32.876 1.000 1 A 81.061 1 ATOM 987 C CG . TRP 115 639 ? A 11.607 -4.674 -32.106 1.000 1 A 81.061 1 ATOM 988 C CD1 . TRP 115 639 ? A 12.203 -4.189 -30.975 1.000 1 A 81.061 1 ATOM 989 C CD2 . TRP 115 639 ? A 12.273 -5.902 -32.415 1.000 1 A 81.061 1 ATOM 990 N NE1 . TRP 115 639 ? A 13.199 -5.043 -30.562 1.000 1 A 81.061 1 ATOM 991 C CE2 . TRP 115 639 ? A 13.263 -6.101 -31.428 1.000 1 A 81.061 1 ATOM 992 C CE3 . TRP 115 639 ? A 12.128 -6.855 -33.433 1.000 1 A 81.061 1 ATOM 993 C CZ2 . TRP 115 639 ? A 14.104 -7.217 -31.428 1.000 1 A 81.061 1 ATOM 994 C CZ3 . TRP 115 639 ? A 12.966 -7.964 -33.431 1.000 1 A 81.061 1 ATOM 995 C CH2 . TRP 115 639 ? A 13.941 -8.133 -32.434 1.000 1 A 81.061 1 ATOM 996 N N . SER 116 640 ? A 8.947 -1.493 -34.408 1.000 1 A 73.612 1 ATOM 997 C CA . SER 116 640 ? A 7.920 -1.100 -35.367 1.000 1 A 73.612 1 ATOM 998 C C . SER 116 640 ? A 8.504 -0.233 -36.478 1.000 1 A 73.612 1 ATOM 999 O O . SER 116 640 ? A 8.176 -0.415 -37.652 1.000 1 A 73.612 1 ATOM 1000 C CB . SER 116 640 ? A 6.789 -0.348 -34.664 1.000 1 A 73.612 1 ATOM 1001 O OG . SER 116 640 ? A 5.802 0.060 -35.595 1.000 1 A 73.612 1 ATOM 1002 N N . LYS 1 321 ? B -32.914 36.642 31.316 1.000 2 B 43.645 1 ATOM 1003 C CA . LYS 1 321 ? B -33.747 36.571 30.119 1.000 2 B 43.645 1 ATOM 1004 C C . LYS 1 321 ? B -33.076 37.272 28.941 1.000 2 B 43.645 1 ATOM 1005 O O . LYS 1 321 ? B -32.759 38.461 29.018 1.000 2 B 43.645 1 ATOM 1006 C CB . LYS 1 321 ? B -35.121 37.189 30.384 1.000 2 B 43.645 1 ATOM 1007 C CG . LYS 1 321 ? B -36.218 36.675 29.463 1.000 2 B 43.645 1 ATOM 1008 C CD . LYS 1 321 ? B -37.582 36.719 30.140 1.000 2 B 43.645 1 ATOM 1009 C CE . LYS 1 321 ? B -38.696 36.320 29.182 1.000 2 B 43.645 1 ATOM 1010 N NZ . LYS 1 321 ? B -40.046 36.580 29.764 1.000 2 B 43.645 1 ATOM 1011 N N . GLU 2 322 ? B -32.323 36.539 28.126 1.000 2 B 43.447 1 ATOM 1012 C CA . GLU 2 322 ? B -32.635 36.694 26.708 1.000 2 B 43.447 1 ATOM 1013 C C . GLU 2 322 ? B -31.468 36.243 25.834 1.000 2 B 43.447 1 ATOM 1014 O O . GLU 2 322 ? B -30.328 36.662 26.046 1.000 2 B 43.447 1 ATOM 1015 C CB . GLU 2 322 ? B -32.996 38.148 26.393 1.000 2 B 43.447 1 ATOM 1016 C CG . GLU 2 322 ? B -34.469 38.473 26.594 1.000 2 B 43.447 1 ATOM 1017 C CD . GLU 2 322 ? B -34.866 39.830 26.033 1.000 2 B 43.447 1 ATOM 1018 O OE1 . GLU 2 322 ? B -35.849 39.903 25.262 1.000 2 B 43.447 1 ATOM 1019 O OE2 . GLU 2 322 ? B -34.188 40.827 26.367 1.000 2 B 43.447 1 ATOM 1020 N N . MET 3 323 ? B -31.424 35.015 25.269 1.000 2 B 39.985 1 ATOM 1021 C CA . MET 3 323 ? B -31.730 34.608 23.901 1.000 2 B 39.985 1 ATOM 1022 C C . MET 3 323 ? B -30.526 33.936 23.250 1.000 2 B 39.985 1 ATOM 1023 O O . MET 3 323 ? B -29.411 34.456 23.312 1.000 2 B 39.985 1 ATOM 1024 C CB . MET 3 323 ? B -32.171 35.813 23.067 1.000 2 B 39.985 1 ATOM 1025 C CG . MET 3 323 ? B -33.645 36.153 23.213 1.000 2 B 39.985 1 ATOM 1026 S SD . MET 3 323 ? B -33.922 37.924 23.605 1.000 2 B 39.985 1 ATOM 1027 C CE . MET 3 323 ? B -34.199 38.582 21.936 1.000 2 B 39.985 1 ATOM 1028 N N . THR 4 324 ? B -30.424 32.574 23.269 1.000 2 B 49.675 1 ATOM 1029 C CA . THR 4 324 ? B -30.224 31.565 22.235 1.000 2 B 49.675 1 ATOM 1030 C C . THR 4 324 ? B -29.250 32.064 21.172 1.000 2 B 49.675 1 ATOM 1031 O O . THR 4 324 ? B -29.491 33.092 20.536 1.000 2 B 49.675 1 ATOM 1032 C CB . THR 4 324 ? B -31.558 31.175 21.571 1.000 2 B 49.675 1 ATOM 1033 O OG1 . THR 4 324 ? B -32.425 32.316 21.548 1.000 2 B 49.675 1 ATOM 1034 C CG2 . THR 4 324 ? B -32.243 30.046 22.333 1.000 2 B 49.675 1 ATOM 1035 N N . HIS 5 325 ? B -27.964 31.990 21.355 1.000 2 B 46.533 1 ATOM 1036 C CA . HIS 5 325 ? B -26.959 32.042 20.300 1.000 2 B 46.533 1 ATOM 1037 C C . HIS 5 325 ? B -26.959 30.760 19.474 1.000 2 B 46.533 1 ATOM 1038 O O . HIS 5 325 ? B -26.466 29.725 19.928 1.000 2 B 46.533 1 ATOM 1039 C CB . HIS 5 325 ? B -25.570 32.284 20.895 1.000 2 B 46.533 1 ATOM 1040 C CG . HIS 5 325 ? B -25.416 33.628 21.531 1.000 2 B 46.533 1 ATOM 1041 N ND1 . HIS 5 325 ? B -25.239 34.782 20.799 1.000 2 B 46.533 1 ATOM 1042 C CD2 . HIS 5 325 ? B -25.415 34.001 22.833 1.000 2 B 46.533 1 ATOM 1043 C CE1 . HIS 5 325 ? B -25.135 35.809 21.626 1.000 2 B 46.533 1 ATOM 1044 N NE2 . HIS 5 325 ? B -25.238 35.362 22.866 1.000 2 B 46.533 1 ATOM 1045 N N . SER 6 326 ? B -28.163 30.360 18.860 1.000 2 B 50.010 1 ATOM 1046 C CA . SER 6 326 ? B -28.208 29.568 17.635 1.000 2 B 50.010 1 ATOM 1047 C C . SER 6 326 ? B -27.576 30.319 16.468 1.000 2 B 50.010 1 ATOM 1048 O O . SER 6 326 ? B -27.790 31.522 16.308 1.000 2 B 50.010 1 ATOM 1049 C CB . SER 6 326 ? B -29.650 29.194 17.290 1.000 2 B 50.010 1 ATOM 1050 O OG . SER 6 326 ? B -30.565 29.998 18.014 1.000 2 B 50.010 1 ATOM 1051 N N . TRP 7 327 ? B -26.233 30.134 16.312 1.000 2 B 38.154 1 ATOM 1052 C CA . TRP 7 327 ? B -25.468 30.436 15.107 1.000 2 B 38.154 1 ATOM 1053 C C . TRP 7 327 ? B -24.808 29.179 14.551 1.000 2 B 38.154 1 ATOM 1054 O O . TRP 7 327 ? B -24.179 28.421 15.293 1.000 2 B 38.154 1 ATOM 1055 C CB . TRP 7 327 ? B -24.405 31.500 15.396 1.000 2 B 38.154 1 ATOM 1056 C CG . TRP 7 327 ? B -24.947 32.895 15.479 1.000 2 B 38.154 1 ATOM 1057 C CD1 . TRP 7 327 ? B -25.494 33.503 16.574 1.000 2 B 38.154 1 ATOM 1058 C CD2 . TRP 7 327 ? B -24.997 33.856 14.419 1.000 2 B 38.154 1 ATOM 1059 N NE1 . TRP 7 327 ? B -25.881 34.786 16.259 1.000 2 B 38.154 1 ATOM 1060 C CE2 . TRP 7 327 ? B -25.587 35.027 14.944 1.000 2 B 38.154 1 ATOM 1061 C CE3 . TRP 7 327 ? B -24.598 33.841 13.076 1.000 2 B 38.154 1 ATOM 1062 C CZ2 . TRP 7 327 ? B -25.789 36.173 14.171 1.000 2 B 38.154 1 ATOM 1063 C CZ3 . TRP 7 327 ? B -24.799 34.982 12.308 1.000 2 B 38.154 1 ATOM 1064 C CH2 . TRP 7 327 ? B -25.390 36.131 12.860 1.000 2 B 38.154 1 ATOM 1065 N N . PRO 8 328 ? B -25.061 29.167 13.262 1.000 2 B 54.033 1 ATOM 1066 C CA . PRO 8 328 ? B -25.798 30.137 12.448 1.000 2 B 54.033 1 ATOM 1067 C C . PRO 8 328 ? B -26.923 29.495 11.640 1.000 2 B 54.033 1 ATOM 1068 O O . PRO 8 328 ? B -27.121 28.279 11.707 1.000 2 B 54.033 1 ATOM 1069 C CB . PRO 8 328 ? B -24.721 30.712 11.524 1.000 2 B 54.033 1 ATOM 1070 C CG . PRO 8 328 ? B -23.804 29.564 11.246 1.000 2 B 54.033 1 ATOM 1071 C CD . PRO 8 328 ? B -24.221 28.403 12.101 1.000 2 B 54.033 1 ATOM 1072 N N . PRO 9 329 ? B -27.879 30.442 11.217 1.000 2 B 40.019 1 ATOM 1073 C CA . PRO 9 329 ? B -29.284 30.380 10.806 1.000 2 B 40.019 1 ATOM 1074 C C . PRO 9 329 ? B -29.492 29.557 9.537 1.000 2 B 40.019 1 ATOM 1075 O O . PRO 9 329 ? B -28.529 29.263 8.823 1.000 2 B 40.019 1 ATOM 1076 C CB . PRO 9 329 ? B -29.647 31.849 10.570 1.000 2 B 40.019 1 ATOM 1077 C CG . PRO 9 329 ? B -28.401 32.467 10.023 1.000 2 B 40.019 1 ATOM 1078 C CD . PRO 9 329 ? B -27.292 31.458 10.104 1.000 2 B 40.019 1 ATOM 1079 N N . PRO 10 330 ? B -30.747 28.925 9.379 1.000 2 B 43.102 1 ATOM 1080 C CA . PRO 10 330 ? B -31.101 28.183 8.166 1.000 2 B 43.102 1 ATOM 1081 C C . PRO 10 330 ? B -31.345 29.096 6.966 1.000 2 B 43.102 1 ATOM 1082 O O . PRO 10 330 ? B -31.884 30.194 7.121 1.000 2 B 43.102 1 ATOM 1083 C CB . PRO 10 330 ? B -32.384 27.450 8.564 1.000 2 B 43.102 1 ATOM 1084 C CG . PRO 10 330 ? B -33.012 28.316 9.608 1.000 2 B 43.102 1 ATOM 1085 C CD . PRO 10 330 ? B -31.982 29.292 10.101 1.000 2 B 43.102 1 ATOM 1086 N N . LEU 11 331 ? B -30.349 29.329 6.035 1.000 2 B 50.665 1 ATOM 1087 C CA . LEU 11 331 ? B -30.653 29.937 4.745 1.000 2 B 50.665 1 ATOM 1088 C C . LEU 11 331 ? B -31.294 28.923 3.803 1.000 2 B 50.665 1 ATOM 1089 O O . LEU 11 331 ? B -30.827 27.787 3.696 1.000 2 B 50.665 1 ATOM 1090 C CB . LEU 11 331 ? B -29.383 30.509 4.109 1.000 2 B 50.665 1 ATOM 1091 C CG . LEU 11 331 ? B -28.841 31.802 4.722 1.000 2 B 50.665 1 ATOM 1092 C CD1 . LEU 11 331 ? B -27.376 31.994 4.344 1.000 2 B 50.665 1 ATOM 1093 C CD2 . LEU 11 331 ? B -29.676 32.996 4.273 1.000 2 B 50.665 1 ATOM 1094 N N . THR 12 332 ? B -32.623 28.737 3.931 1.000 2 B 41.697 1 ATOM 1095 C CA . THR 12 332 ? B -33.699 28.713 2.946 1.000 2 B 41.697 1 ATOM 1096 C C . THR 12 332 ? B -33.140 28.843 1.532 1.000 2 B 41.697 1 ATOM 1097 O O . THR 12 332 ? B -32.213 29.619 1.294 1.000 2 B 41.697 1 ATOM 1098 C CB . THR 12 332 ? B -34.718 29.838 3.204 1.000 2 B 41.697 1 ATOM 1099 O OG1 . THR 12 332 ? B -34.056 31.106 3.106 1.000 2 B 41.697 1 ATOM 1100 C CG2 . THR 12 332 ? B -35.341 29.709 4.590 1.000 2 B 41.697 1 ATOM 1101 N N . ALA 13 333 ? B -32.855 27.730 0.810 1.000 2 B 38.262 1 ATOM 1102 C CA . ALA 13 333 ? B -33.114 27.247 -0.544 1.000 2 B 38.262 1 ATOM 1103 C C . ALA 13 333 ? B -33.689 28.355 -1.421 1.000 2 B 38.262 1 ATOM 1104 O O . ALA 13 333 ? B -34.674 28.999 -1.052 1.000 2 B 38.262 1 ATOM 1105 C CB . ALA 13 333 ? B -34.063 26.052 -0.511 1.000 2 B 38.262 1 ATOM 1106 N N . ILE 14 334 ? B -32.958 29.278 -2.013 1.000 2 B 42.187 1 ATOM 1107 C CA . ILE 14 334 ? B -33.503 30.032 -3.137 1.000 2 B 42.187 1 ATOM 1108 C C . ILE 14 334 ? B -32.603 29.860 -4.358 1.000 2 B 42.187 1 ATOM 1109 O O . ILE 14 334 ? B -31.393 30.086 -4.283 1.000 2 B 42.187 1 ATOM 1110 C CB . ILE 14 334 ? B -33.656 31.530 -2.791 1.000 2 B 42.187 1 ATOM 1111 C CG1 . ILE 14 334 ? B -34.475 31.700 -1.506 1.000 2 B 42.187 1 ATOM 1112 C CG2 . ILE 14 334 ? B -34.299 32.290 -3.955 1.000 2 B 42.187 1 ATOM 1113 C CD1 . ILE 14 334 ? B -34.502 33.127 -0.974 1.000 2 B 42.187 1 ATOM 1114 N N . HIS 15 335 ? B -32.875 28.885 -5.388 1.000 2 B 35.229 1 ATOM 1115 C CA . HIS 15 335 ? B -33.311 28.893 -6.780 1.000 2 B 35.229 1 ATOM 1116 C C . HIS 15 335 ? B -32.653 30.027 -7.557 1.000 2 B 35.229 1 ATOM 1117 O O . HIS 15 335 ? B -32.697 31.184 -7.132 1.000 2 B 35.229 1 ATOM 1118 C CB . HIS 15 335 ? B -34.833 29.013 -6.864 1.000 2 B 35.229 1 ATOM 1119 C CG . HIS 15 335 ? B -35.532 27.698 -7.007 1.000 2 B 35.229 1 ATOM 1120 N ND1 . HIS 15 335 ? B -35.698 27.072 -8.223 1.000 2 B 35.229 1 ATOM 1121 C CD2 . HIS 15 335 ? B -36.105 26.891 -6.083 1.000 2 B 35.229 1 ATOM 1122 C CE1 . HIS 15 335 ? B -36.345 25.933 -8.041 1.000 2 B 35.229 1 ATOM 1123 N NE2 . HIS 15 335 ? B -36.604 25.800 -6.751 1.000 2 B 35.229 1 ATOM 1124 N N . THR 16 336 ? B -31.738 29.640 -8.475 1.000 2 B 32.644 1 ATOM 1125 C CA . THR 16 336 ? B -31.813 29.572 -9.930 1.000 2 B 32.644 1 ATOM 1126 C C . THR 16 336 ? B -30.466 29.919 -10.558 1.000 2 B 32.644 1 ATOM 1127 O O . THR 16 336 ? B -29.818 30.887 -10.154 1.000 2 B 32.644 1 ATOM 1128 C CB . THR 16 336 ? B -32.897 30.518 -10.479 1.000 2 B 32.644 1 ATOM 1129 O OG1 . THR 16 336 ? B -34.013 30.529 -9.581 1.000 2 B 32.644 1 ATOM 1130 C CG2 . THR 16 336 ? B -33.372 30.069 -11.857 1.000 2 B 32.644 1 ATOM 1131 N N . PRO 17 337 ? B -30.139 29.579 -11.977 1.000 2 B 48.100 1 ATOM 1132 C CA . PRO 17 337 ? B -30.052 28.603 -13.066 1.000 2 B 48.100 1 ATOM 1133 C C . PRO 17 337 ? B -28.657 28.529 -13.682 1.000 2 B 48.100 1 ATOM 1134 O O . PRO 17 337 ? B -27.802 29.367 -13.386 1.000 2 B 48.100 1 ATOM 1135 C CB . PRO 17 337 ? B -31.073 29.119 -14.084 1.000 2 B 48.100 1 ATOM 1136 C CG . PRO 17 337 ? B -30.998 30.608 -13.978 1.000 2 B 48.100 1 ATOM 1137 C CD . PRO 17 337 ? B -30.078 30.960 -12.844 1.000 2 B 48.100 1 ATOM 1138 N N . CYS 18 338 ? B -28.255 27.323 -14.481 1.000 2 B 39.473 1 ATOM 1139 C CA . CYS 18 338 ? B -27.787 26.782 -15.752 1.000 2 B 39.473 1 ATOM 1140 C C . CYS 18 338 ? B -26.956 27.810 -16.510 1.000 2 B 39.473 1 ATOM 1141 O O . CYS 18 338 ? B -27.410 28.932 -16.743 1.000 2 B 39.473 1 ATOM 1142 C CB . CYS 18 338 ? B -28.968 26.333 -16.612 1.000 2 B 39.473 1 ATOM 1143 S SG . CYS 18 338 ? B -29.833 24.886 -15.963 1.000 2 B 39.473 1 ATOM 1144 N N . LYS 19 339 ? B -25.676 27.899 -16.369 1.000 2 B 39.300 1 ATOM 1145 C CA . LYS 19 339 ? B -24.741 28.237 -17.439 1.000 2 B 39.300 1 ATOM 1146 C C . LYS 19 339 ? B -24.039 26.991 -17.969 1.000 2 B 39.300 1 ATOM 1147 O O . LYS 19 339 ? B -23.500 26.198 -17.195 1.000 2 B 39.300 1 ATOM 1148 C CB . LYS 19 339 ? B -23.707 29.252 -16.947 1.000 2 B 39.300 1 ATOM 1149 C CG . LYS 19 339 ? B -24.212 30.687 -16.922 1.000 2 B 39.300 1 ATOM 1150 C CD . LYS 19 339 ? B -23.860 31.425 -18.207 1.000 2 B 39.300 1 ATOM 1151 C CE . LYS 19 339 ? B -24.658 32.715 -18.348 1.000 2 B 39.300 1 ATOM 1152 N NZ . LYS 19 339 ? B -24.107 33.593 -19.423 1.000 2 B 39.300 1 ATOM 1153 N N . THR 20 340 ? B -24.617 26.336 -18.948 1.000 2 B 38.720 1 ATOM 1154 C CA . THR 20 340 ? B -24.247 25.941 -20.302 1.000 2 B 38.720 1 ATOM 1155 C C . THR 20 340 ? B -22.833 26.410 -20.635 1.000 2 B 38.720 1 ATOM 1156 O O . THR 20 340 ? B -22.539 27.605 -20.571 1.000 2 B 38.720 1 ATOM 1157 C CB . THR 20 340 ? B -25.235 26.506 -21.339 1.000 2 B 38.720 1 ATOM 1158 O OG1 . THR 20 340 ? B -26.567 26.112 -20.984 1.000 2 B 38.720 1 ATOM 1159 C CG2 . THR 20 340 ? B -24.920 25.988 -22.738 1.000 2 B 38.720 1 ATOM 1160 N N . GLU 21 341 ? B -21.868 25.628 -20.463 1.000 2 B 40.169 1 ATOM 1161 C CA . GLU 21 341 ? B -20.808 25.555 -21.464 1.000 2 B 40.169 1 ATOM 1162 C C . GLU 21 341 ? B -20.528 24.111 -21.867 1.000 2 B 40.169 1 ATOM 1163 O O . GLU 21 341 ? B -20.361 23.242 -21.009 1.000 2 B 40.169 1 ATOM 1164 C CB . GLU 21 341 ? B -19.528 26.212 -20.940 1.000 2 B 40.169 1 ATOM 1165 C CG . GLU 21 341 ? B -18.489 26.480 -22.018 1.000 2 B 40.169 1 ATOM 1166 C CD . GLU 21 341 ? B -17.172 27.004 -21.466 1.000 2 B 40.169 1 ATOM 1167 O OE1 . GLU 21 341 ? B -16.099 26.532 -21.906 1.000 2 B 40.169 1 ATOM 1168 O OE2 . GLU 21 341 ? B -17.214 27.892 -20.586 1.000 2 B 40.169 1 ATOM 1169 N N . PRO 22 342 ? B -20.918 23.745 -23.113 1.000 2 B 48.048 1 ATOM 1170 C CA . PRO 22 342 ? B -20.615 22.499 -23.822 1.000 2 B 48.048 1 ATOM 1171 C C . PRO 22 342 ? B -19.129 22.343 -24.133 1.000 2 B 48.048 1 ATOM 1172 O O . PRO 22 342 ? B -18.460 23.322 -24.474 1.000 2 B 48.048 1 ATOM 1173 C CB . PRO 22 342 ? B -21.433 22.620 -25.111 1.000 2 B 48.048 1 ATOM 1174 C CG . PRO 22 342 ? B -21.515 24.089 -25.375 1.000 2 B 48.048 1 ATOM 1175 C CD . PRO 22 342 ? B -20.915 24.818 -24.207 1.000 2 B 48.048 1 ATOM 1176 N N . SER 23 343 ? B -18.387 21.635 -23.370 1.000 2 B 56.422 1 ATOM 1177 C CA . SER 23 343 ? B -17.053 21.408 -23.917 1.000 2 B 56.422 1 ATOM 1178 C C . SER 23 343 ? B -16.578 19.985 -23.642 1.000 2 B 56.422 1 ATOM 1179 O O . SER 23 343 ? B -16.741 19.474 -22.532 1.000 2 B 56.422 1 ATOM 1180 C CB . SER 23 343 ? B -16.056 22.409 -23.331 1.000 2 B 56.422 1 ATOM 1181 O OG . SER 23 343 ? B -14.767 22.221 -23.890 1.000 2 B 56.422 1 ATOM 1182 N N . LYS 24 344 ? B -16.700 19.142 -24.609 1.000 2 B 51.912 1 ATOM 1183 C CA . LYS 24 344 ? B -16.036 18.266 -25.571 1.000 2 B 51.912 1 ATOM 1184 C C . LYS 24 344 ? B -15.313 17.123 -24.865 1.000 2 B 51.912 1 ATOM 1185 O O . LYS 24 344 ? B -14.205 17.302 -24.356 1.000 2 B 51.912 1 ATOM 1186 C CB . LYS 24 344 ? B -15.049 19.061 -26.427 1.000 2 B 51.912 1 ATOM 1187 C CG . LYS 24 344 ? B -15.351 19.020 -27.918 1.000 2 B 51.912 1 ATOM 1188 C CD . LYS 24 344 ? B -14.612 20.121 -28.669 1.000 2 B 51.912 1 ATOM 1189 C CE . LYS 24 344 ? B -15.074 20.218 -30.117 1.000 2 B 51.912 1 ATOM 1190 N NZ . LYS 24 344 ? B -14.039 20.855 -30.986 1.000 2 B 51.912 1 ATOM 1191 N N . PHE 25 345 ? B -15.951 16.435 -23.947 1.000 2 B 45.949 1 ATOM 1192 C CA . PHE 25 345 ? B -15.311 15.128 -23.862 1.000 2 B 45.949 1 ATOM 1193 C C . PHE 25 345 ? B -16.292 14.020 -24.227 1.000 2 B 45.949 1 ATOM 1194 O O . PHE 25 345 ? B -17.352 13.893 -23.610 1.000 2 B 45.949 1 ATOM 1195 C CB . PHE 25 345 ? B -14.753 14.891 -22.455 1.000 2 B 45.949 1 ATOM 1196 C CG . PHE 25 345 ? B -13.284 15.193 -22.326 1.000 2 B 45.949 1 ATOM 1197 C CD1 . PHE 25 345 ? B -12.334 14.208 -22.566 1.000 2 B 45.949 1 ATOM 1198 C CD2 . PHE 25 345 ? B -12.853 16.463 -21.965 1.000 2 B 45.949 1 ATOM 1199 C CE1 . PHE 25 345 ? B -10.974 14.484 -22.448 1.000 2 B 45.949 1 ATOM 1200 C CE2 . PHE 25 345 ? B -11.496 16.747 -21.844 1.000 2 B 45.949 1 ATOM 1201 C CZ . PHE 25 345 ? B -10.558 15.756 -22.085 1.000 2 B 45.949 1 ATOM 1202 N N . PRO 26 346 ? B -16.402 13.647 -25.464 1.000 2 B 47.459 1 ATOM 1203 C CA . PRO 26 346 ? B -17.227 12.527 -25.922 1.000 2 B 47.459 1 ATOM 1204 C C . PRO 26 346 ? B -17.087 11.290 -25.038 1.000 2 B 47.459 1 ATOM 1205 O O . PRO 26 346 ? B -15.981 10.962 -24.600 1.000 2 B 47.459 1 ATOM 1206 C CB . PRO 26 346 ? B -16.698 12.253 -27.332 1.000 2 B 47.459 1 ATOM 1207 C CG . PRO 26 346 ? B -15.276 12.711 -27.302 1.000 2 B 47.459 1 ATOM 1208 C CD . PRO 26 346 ? B -15.016 13.373 -25.979 1.000 2 B 47.459 1 ATOM 1209 N N . PHE 27 347 ? B -17.748 11.192 -23.942 1.000 2 B 42.078 1 ATOM 1210 C CA . PHE 27 347 ? B -17.878 9.904 -23.271 1.000 2 B 42.078 1 ATOM 1211 C C . PHE 27 347 ? B -18.460 8.858 -24.214 1.000 2 B 42.078 1 ATOM 1212 O O . PHE 27 347 ? B -19.438 9.122 -24.915 1.000 2 B 42.078 1 ATOM 1213 C CB . PHE 27 347 ? B -18.758 10.034 -22.023 1.000 2 B 42.078 1 ATOM 1214 C CG . PHE 27 347 ? B -18.062 10.675 -20.853 1.000 2 B 42.078 1 ATOM 1215 C CD1 . PHE 27 347 ? B -17.240 9.926 -20.020 1.000 2 B 42.078 1 ATOM 1216 C CD2 . PHE 27 347 ? B -18.230 12.027 -20.586 1.000 2 B 42.078 1 ATOM 1217 C CE1 . PHE 27 347 ? B -16.595 10.517 -18.936 1.000 2 B 42.078 1 ATOM 1218 C CE2 . PHE 27 347 ? B -17.588 12.625 -19.505 1.000 2 B 42.078 1 ATOM 1219 C CZ . PHE 27 347 ? B -16.772 11.867 -18.681 1.000 2 B 42.078 1 ATOM 1220 N N . PRO 28 348 ? B -17.663 7.900 -24.743 1.000 2 B 46.466 1 ATOM 1221 C CA . PRO 28 348 ? B -18.169 6.749 -25.495 1.000 2 B 46.466 1 ATOM 1222 C C . PRO 28 348 ? B -19.395 6.112 -24.845 1.000 2 B 46.466 1 ATOM 1223 O O . PRO 28 348 ? B -19.425 5.926 -23.625 1.000 2 B 46.466 1 ATOM 1224 C CB . PRO 28 348 ? B -16.985 5.779 -25.495 1.000 2 B 46.466 1 ATOM 1225 C CG . PRO 28 348 ? B -15.915 6.483 -24.724 1.000 2 B 46.466 1 ATOM 1226 C CD . PRO 28 348 ? B -16.494 7.742 -24.145 1.000 2 B 46.466 1 ATOM 1227 N N . THR 29 349 ? B -20.640 6.577 -25.070 1.000 2 B 40.786 1 ATOM 1228 C CA . THR 29 349 ? B -21.971 5.985 -24.999 1.000 2 B 40.786 1 ATOM 1229 C C . THR 29 349 ? B -21.958 4.559 -25.543 1.000 2 B 40.786 1 ATOM 1230 O O . THR 29 349 ? B -21.258 4.266 -26.514 1.000 2 B 40.786 1 ATOM 1231 C CB . THR 29 349 ? B -22.999 6.825 -25.778 1.000 2 B 40.786 1 ATOM 1232 O OG1 . THR 29 349 ? B -22.426 7.232 -27.028 1.000 2 B 40.786 1 ATOM 1233 C CG2 . THR 29 349 ? B -23.405 8.067 -24.991 1.000 2 B 40.786 1 ATOM 1234 N N . LYS 30 350 ? B -21.960 3.574 -24.684 1.000 2 B 37.791 1 ATOM 1235 C CA . LYS 30 350 ? B -22.720 2.353 -24.436 1.000 2 B 37.791 1 ATOM 1236 C C . LYS 30 350 ? B -23.703 2.078 -25.571 1.000 2 B 37.791 1 ATOM 1237 O O . LYS 30 350 ? B -24.431 2.975 -26.001 1.000 2 B 37.791 1 ATOM 1238 C CB . LYS 30 350 ? B -23.470 2.447 -23.106 1.000 2 B 37.791 1 ATOM 1239 C CG . LYS 30 350 ? B -23.532 1.136 -22.337 1.000 2 B 37.791 1 ATOM 1240 C CD . LYS 30 350 ? B -24.265 1.300 -21.012 1.000 2 B 37.791 1 ATOM 1241 C CE . LYS 30 350 ? B -24.404 -0.028 -20.280 1.000 2 B 37.791 1 ATOM 1242 N NZ . LYS 30 350 ? B -25.048 0.140 -18.943 1.000 2 B 37.791 1 ATOM 1243 N N . GLU 31 351 ? B -23.374 1.136 -26.457 1.000 2 B 35.119 1 ATOM 1244 C CA . GLU 31 351 ? B -24.323 0.115 -26.892 1.000 2 B 35.119 1 ATOM 1245 C C . GLU 31 351 ? B -24.068 -0.294 -28.340 1.000 2 B 35.119 1 ATOM 1246 O O . GLU 31 351 ? B -24.306 0.489 -29.262 1.000 2 B 35.119 1 ATOM 1247 C CB . GLU 31 351 ? B -25.761 0.614 -26.732 1.000 2 B 35.119 1 ATOM 1248 C CG . GLU 31 351 ? B -25.919 1.709 -25.687 1.000 2 B 35.119 1 ATOM 1249 C CD . GLU 31 351 ? B -26.651 1.245 -24.437 1.000 2 B 35.119 1 ATOM 1250 O OE1 . GLU 31 351 ? B -26.536 1.910 -23.383 1.000 2 B 35.119 1 ATOM 1251 O OE2 . GLU 31 351 ? B -27.345 0.206 -24.513 1.000 2 B 35.119 1 ATOM 1252 N N . SER 32 352 ? B -23.036 -1.024 -28.685 1.000 2 B 39.145 1 ATOM 1253 C CA . SER 32 352 ? B -23.178 -1.911 -29.835 1.000 2 B 39.145 1 ATOM 1254 C C . SER 32 352 ? B -23.321 -3.365 -29.398 1.000 2 B 39.145 1 ATOM 1255 O O . SER 32 352 ? B -22.501 -3.871 -28.629 1.000 2 B 39.145 1 ATOM 1256 C CB . SER 32 352 ? B -21.979 -1.767 -30.774 1.000 2 B 39.145 1 ATOM 1257 O OG . SER 32 352 ? B -21.967 -0.487 -31.381 1.000 2 B 39.145 1 ATOM 1258 N N . GLN 33 353 ? B -24.402 -3.834 -28.932 1.000 2 B 35.751 1 ATOM 1259 C CA . GLN 33 353 ? B -25.301 -4.857 -29.454 1.000 2 B 35.751 1 ATOM 1260 C C . GLN 33 353 ? B -24.576 -5.781 -30.429 1.000 2 B 35.751 1 ATOM 1261 O O . GLN 33 353 ? B -23.883 -5.315 -31.335 1.000 2 B 35.751 1 ATOM 1262 C CB . GLN 33 353 ? B -26.508 -4.214 -30.139 1.000 2 B 35.751 1 ATOM 1263 C CG . GLN 33 353 ? B -27.629 -3.836 -29.181 1.000 2 B 35.751 1 ATOM 1264 C CD . GLN 33 353 ? B -29.008 -4.054 -29.776 1.000 2 B 35.751 1 ATOM 1265 O OE1 . GLN 33 353 ? B -29.177 -4.060 -31.000 1.000 2 B 35.751 1 ATOM 1266 N NE2 . GLN 33 353 ? B -30.004 -4.234 -28.915 1.000 2 B 35.751 1 ATOM 1267 N N . GLN 34 354 ? B -24.049 -7.004 -30.006 1.000 2 B 33.482 1 ATOM 1268 C CA . GLN 34 354 ? B -24.371 -8.352 -30.463 1.000 2 B 33.482 1 ATOM 1269 C C . GLN 34 354 ? B -23.714 -8.647 -31.809 1.000 2 B 33.482 1 ATOM 1270 O O . GLN 34 354 ? B -23.820 -7.851 -32.744 1.000 2 B 33.482 1 ATOM 1271 C CB . GLN 34 354 ? B -25.885 -8.538 -30.565 1.000 2 B 33.482 1 ATOM 1272 C CG . GLN 34 354 ? B -26.547 -8.929 -29.251 1.000 2 B 33.482 1 ATOM 1273 C CD . GLN 34 354 ? B -28.030 -9.212 -29.401 1.000 2 B 33.482 1 ATOM 1274 O OE1 . GLN 34 354 ? B -28.644 -8.854 -30.411 1.000 2 B 33.482 1 ATOM 1275 N NE2 . GLN 34 354 ? B -28.616 -9.856 -28.398 1.000 2 B 33.482 1 ATOM 1276 N N . SER 35 355 ? B -22.571 -9.360 -31.927 1.000 2 B 37.564 1 ATOM 1277 C CA . SER 35 355 ? B -22.418 -10.368 -32.972 1.000 2 B 37.564 1 ATOM 1278 C C . SER 35 355 ? B -20.957 -10.771 -33.141 1.000 2 B 37.564 1 ATOM 1279 O O . SER 35 355 ? B -20.090 -9.916 -33.334 1.000 2 B 37.564 1 ATOM 1280 C CB . SER 35 355 ? B -22.971 -9.852 -34.301 1.000 2 B 37.564 1 ATOM 1281 O OG . SER 35 355 ? B -21.988 -9.108 -35.000 1.000 2 B 37.564 1 ATOM 1282 N N . ASN 36 356 ? B -20.449 -11.798 -32.470 1.000 2 B 39.028 1 ATOM 1283 C CA . ASN 36 356 ? B -19.806 -12.798 -33.315 1.000 2 B 39.028 1 ATOM 1284 C C . ASN 36 356 ? B -19.052 -13.833 -32.484 1.000 2 B 39.028 1 ATOM 1285 O O . ASN 36 356 ? B -18.128 -13.489 -31.746 1.000 2 B 39.028 1 ATOM 1286 C CB . ASN 36 356 ? B -18.860 -12.129 -34.314 1.000 2 B 39.028 1 ATOM 1287 C CG . ASN 36 356 ? B -19.556 -11.727 -35.599 1.000 2 B 39.028 1 ATOM 1288 O OD1 . ASN 36 356 ? B -20.219 -10.688 -35.661 1.000 2 B 39.028 1 ATOM 1289 N ND2 . ASN 36 356 ? B -19.411 -12.546 -36.634 1.000 2 B 39.028 1 ATOM 1290 N N . PHE 37 357 ? B -19.691 -14.860 -32.032 1.000 2 B 33.233 1 ATOM 1291 C CA . PHE 37 357 ? B -19.394 -16.273 -32.235 1.000 2 B 33.233 1 ATOM 1292 C C . PHE 37 357 ? B -18.342 -16.455 -33.324 1.000 2 B 33.233 1 ATOM 1293 O O . PHE 37 357 ? B -18.547 -16.042 -34.467 1.000 2 B 33.233 1 ATOM 1294 C CB . PHE 37 357 ? B -20.666 -17.044 -32.601 1.000 2 B 33.233 1 ATOM 1295 C CG . PHE 37 357 ? B -21.448 -17.525 -31.409 1.000 2 B 33.233 1 ATOM 1296 C CD1 . PHE 37 357 ? B -21.129 -18.728 -30.791 1.000 2 B 33.233 1 ATOM 1297 C CD2 . PHE 37 357 ? B -22.503 -16.775 -30.906 1.000 2 B 33.233 1 ATOM 1298 C CE1 . PHE 37 357 ? B -21.851 -19.176 -29.687 1.000 2 B 33.233 1 ATOM 1299 C CE2 . PHE 37 357 ? B -23.229 -17.216 -29.804 1.000 2 B 33.233 1 ATOM 1300 C CZ . PHE 37 357 ? B -22.902 -18.418 -29.196 1.000 2 B 33.233 1 ATOM 1301 N N . GLY 38 358 ? B -17.027 -16.509 -33.084 1.000 2 B 40.202 1 ATOM 1302 C CA . GLY 38 358 ? B -16.078 -17.200 -33.943 1.000 2 B 40.202 1 ATOM 1303 C C . GLY 38 358 ? B -15.214 -18.198 -33.196 1.000 2 B 40.202 1 ATOM 1304 O O . GLY 38 358 ? B -14.660 -17.880 -32.142 1.000 2 B 40.202 1 ATOM 1305 N N . THR 39 359 ? B -15.618 -19.427 -32.953 1.000 2 B 33.102 1 ATOM 1306 C CA . THR 39 359 ? B -15.177 -20.772 -33.307 1.000 2 B 33.102 1 ATOM 1307 C C . THR 39 359 ? B -14.005 -20.717 -34.283 1.000 2 B 33.102 1 ATOM 1308 O O . THR 39 359 ? B -14.046 -19.979 -35.270 1.000 2 B 33.102 1 ATOM 1309 C CB . THR 39 359 ? B -16.325 -21.591 -33.924 1.000 2 B 33.102 1 ATOM 1310 O OG1 . THR 39 359 ? B -17.570 -20.930 -33.665 1.000 2 B 33.102 1 ATOM 1311 C CG2 . THR 39 359 ? B -16.377 -22.996 -33.333 1.000 2 B 33.102 1 ATOM 1312 N N . GLY 40 360 ? B -12.791 -21.023 -33.846 1.000 2 B 32.875 1 ATOM 1313 C CA . GLY 40 360 ? B -11.987 -21.966 -34.607 1.000 2 B 32.875 1 ATOM 1314 C C . GLY 40 360 ? B -10.508 -21.631 -34.600 1.000 2 B 32.875 1 ATOM 1315 O O . GLY 40 360 ? B -10.125 -20.483 -34.836 1.000 2 B 32.875 1 ATOM 1316 N N . GLU 41 361 ? B -9.674 -22.388 -33.821 1.000 2 B 33.398 1 ATOM 1317 C CA . GLU 41 361 ? B -8.653 -23.278 -34.366 1.000 2 B 33.398 1 ATOM 1318 C C . GLU 41 361 ? B -7.269 -22.927 -33.826 1.000 2 B 33.398 1 ATOM 1319 O O . GLU 41 361 ? B -6.868 -21.762 -33.843 1.000 2 B 33.398 1 ATOM 1320 C CB . GLU 41 361 ? B -8.650 -23.220 -35.896 1.000 2 B 33.398 1 ATOM 1321 C CG . GLU 41 361 ? B -9.869 -23.866 -36.538 1.000 2 B 33.398 1 ATOM 1322 C CD . GLU 41 361 ? B -9.769 -23.963 -38.052 1.000 2 B 33.398 1 ATOM 1323 O OE1 . GLU 41 361 ? B -10.376 -24.886 -38.643 1.000 2 B 33.398 1 ATOM 1324 O OE2 . GLU 41 361 ? B -9.077 -23.111 -38.653 1.000 2 B 33.398 1 ATOM 1325 N N . GLN 42 362 ? B -6.674 -23.736 -32.923 1.000 2 B 34.009 1 ATOM 1326 C CA . GLN 42 362 ? B -5.629 -24.753 -32.978 1.000 2 B 34.009 1 ATOM 1327 C C . GLN 42 362 ? B -4.242 -24.121 -32.908 1.000 2 B 34.009 1 ATOM 1328 O O . GLN 42 362 ? B -3.930 -23.209 -33.676 1.000 2 B 34.009 1 ATOM 1329 C CB . GLN 42 362 ? B -5.761 -25.590 -34.252 1.000 2 B 34.009 1 ATOM 1330 C CG . GLN 42 362 ? B -7.044 -26.406 -34.321 1.000 2 B 34.009 1 ATOM 1331 C CD . GLN 42 362 ? B -6.932 -27.739 -33.604 1.000 2 B 34.009 1 ATOM 1332 O OE1 . GLN 42 362 ? B -5.866 -28.363 -33.591 1.000 2 B 34.009 1 ATOM 1333 N NE2 . GLN 42 362 ? B -8.030 -28.184 -33.004 1.000 2 B 34.009 1 ATOM 1334 N N . LYS 43 363 ? B -3.557 -24.146 -31.729 1.000 2 B 40.113 1 ATOM 1335 C CA . LYS 43 363 ? B -2.119 -24.384 -31.813 1.000 2 B 40.113 1 ATOM 1336 C C . LYS 43 363 ? B -1.498 -24.498 -30.424 1.000 2 B 40.113 1 ATOM 1337 O O . LYS 43 363 ? B -1.772 -23.677 -29.546 1.000 2 B 40.113 1 ATOM 1338 C CB . LYS 43 363 ? B -1.435 -23.266 -32.602 1.000 2 B 40.113 1 ATOM 1339 C CG . LYS 43 363 ? B -0.844 -23.717 -33.929 1.000 2 B 40.113 1 ATOM 1340 C CD . LYS 43 363 ? B 0.452 -22.980 -34.244 1.000 2 B 40.113 1 ATOM 1341 C CE . LYS 43 363 ? B 1.004 -23.375 -35.607 1.000 2 B 40.113 1 ATOM 1342 N NZ . LYS 43 363 ? B 2.333 -22.747 -35.869 1.000 2 B 40.113 1 ATOM 1343 N N . ARG 44 364 ? B -1.412 -25.705 -29.804 1.000 2 B 37.901 1 ATOM 1344 C CA . ARG 44 364 ? B -0.215 -26.426 -29.384 1.000 2 B 37.901 1 ATOM 1345 C C . ARG 44 364 ? B -0.263 -26.746 -27.893 1.000 2 B 37.901 1 ATOM 1346 O O . ARG 44 364 ? B -0.506 -25.861 -27.071 1.000 2 B 37.901 1 ATOM 1347 C CB . ARG 44 364 ? B 1.042 -25.616 -29.705 1.000 2 B 37.901 1 ATOM 1348 C CG . ARG 44 364 ? B 1.365 -25.544 -31.189 1.000 2 B 37.901 1 ATOM 1349 C CD . ARG 44 364 ? B 2.525 -26.458 -31.559 1.000 2 B 37.901 1 ATOM 1350 N NE . ARG 44 364 ? B 3.587 -25.730 -32.249 1.000 2 B 37.901 1 ATOM 1351 C CZ . ARG 44 364 ? B 4.825 -26.182 -32.425 1.000 2 B 37.901 1 ATOM 1352 N NH1 . ARG 44 364 ? B 5.184 -27.374 -31.962 1.000 2 B 37.901 1 ATOM 1353 N NH2 . ARG 44 364 ? B 5.712 -25.436 -33.068 1.000 2 B 37.901 1 ATOM 1354 N N . TYR 45 365 ? B -0.774 -27.880 -27.540 1.000 2 B 30.637 1 ATOM 1355 C CA . TYR 45 365 ? B -0.383 -29.081 -26.811 1.000 2 B 30.637 1 ATOM 1356 C C . TYR 45 365 ? B 1.005 -28.921 -26.201 1.000 2 B 30.637 1 ATOM 1357 O O . TYR 45 365 ? B 1.960 -28.571 -26.898 1.000 2 B 30.637 1 ATOM 1358 C CB . TYR 45 365 ? B -0.409 -30.303 -27.734 1.000 2 B 30.637 1 ATOM 1359 C CG . TYR 45 365 ? B -1.762 -30.967 -27.823 1.000 2 B 30.637 1 ATOM 1360 C CD1 . TYR 45 365 ? B -2.152 -31.925 -26.891 1.000 2 B 30.637 1 ATOM 1361 C CD2 . TYR 45 365 ? B -2.652 -30.637 -28.840 1.000 2 B 30.637 1 ATOM 1362 C CE1 . TYR 45 365 ? B -3.397 -32.541 -26.971 1.000 2 B 30.637 1 ATOM 1363 C CE2 . TYR 45 365 ? B -3.899 -31.247 -28.930 1.000 2 B 30.637 1 ATOM 1364 C CZ . TYR 45 365 ? B -4.262 -32.195 -27.992 1.000 2 B 30.637 1 ATOM 1365 O OH . TYR 45 365 ? B -5.496 -32.802 -28.075 1.000 2 B 30.637 1 ATOM 1366 N N . ASN 46 366 ? B 1.122 -28.715 -24.894 1.000 2 B 41.602 1 ATOM 1367 C CA . ASN 46 366 ? B 2.036 -29.401 -23.987 1.000 2 B 41.602 1 ATOM 1368 C C . ASN 46 366 ? B 1.317 -29.899 -22.737 1.000 2 B 41.602 1 ATOM 1369 O O . ASN 46 366 ? B 0.773 -29.102 -21.970 1.000 2 B 41.602 1 ATOM 1370 C CB . ASN 46 366 ? B 3.199 -28.484 -23.601 1.000 2 B 41.602 1 ATOM 1371 C CG . ASN 46 366 ? B 4.542 -29.022 -24.055 1.000 2 B 41.602 1 ATOM 1372 O OD1 . ASN 46 366 ? B 4.614 -30.032 -24.760 1.000 2 B 41.602 1 ATOM 1373 N ND2 . ASN 46 366 ? B 5.615 -28.350 -23.654 1.000 2 B 41.602 1 ATOM 1374 N N . PRO 47 367 ? B 0.997 -31.275 -22.578 1.000 2 B 38.354 1 ATOM 1375 C CA . PRO 47 367 ? B 0.666 -31.938 -21.314 1.000 2 B 38.354 1 ATOM 1376 C C . PRO 47 367 ? B 1.887 -32.545 -20.628 1.000 2 B 38.354 1 ATOM 1377 O O . PRO 47 367 ? B 2.794 -33.043 -21.300 1.000 2 B 38.354 1 ATOM 1378 C CB . PRO 47 367 ? B -0.322 -33.029 -21.737 1.000 2 B 38.354 1 ATOM 1379 C CG . PRO 47 367 ? B 0.077 -33.385 -23.132 1.000 2 B 38.354 1 ATOM 1380 C CD . PRO 47 367 ? B 1.148 -32.432 -23.580 1.000 2 B 38.354 1 ATOM 1381 N N . SER 48 368 ? B 2.386 -31.962 -19.528 1.000 2 B 37.255 1 ATOM 1382 C CA . SER 48 368 ? B 3.088 -32.774 -18.540 1.000 2 B 37.255 1 ATOM 1383 C C . SER 48 368 ? B 2.948 -32.186 -17.140 1.000 2 B 37.255 1 ATOM 1384 O O . SER 48 368 ? B 3.148 -30.986 -16.943 1.000 2 B 37.255 1 ATOM 1385 C CB . SER 48 368 ? B 4.568 -32.899 -18.904 1.000 2 B 37.255 1 ATOM 1386 O OG . SER 48 368 ? B 4.722 -33.335 -20.244 1.000 2 B 37.255 1 ATOM 1387 N N . LYS 49 369 ? B 1.927 -32.600 -16.302 1.000 2 B 37.942 1 ATOM 1388 C CA . LYS 49 369 ? B 2.195 -33.177 -14.987 1.000 2 B 37.942 1 ATOM 1389 C C . LYS 49 369 ? B 1.004 -32.989 -14.052 1.000 2 B 37.942 1 ATOM 1390 O O . LYS 49 369 ? B 0.481 -31.881 -13.918 1.000 2 B 37.942 1 ATOM 1391 C CB . LYS 49 369 ? B 3.448 -32.551 -14.372 1.000 2 B 37.942 1 ATOM 1392 C CG . LYS 49 369 ? B 4.748 -33.011 -15.014 1.000 2 B 37.942 1 ATOM 1393 C CD . LYS 49 369 ? B 5.961 -32.513 -14.239 1.000 2 B 37.942 1 ATOM 1394 C CE . LYS 49 369 ? B 7.247 -33.160 -14.734 1.000 2 B 37.942 1 ATOM 1395 N NZ . LYS 49 369 ? B 8.433 -32.714 -13.944 1.000 2 B 37.942 1 ATOM 1396 N N . THR 50 370 ? B -0.003 -33.788 -13.991 1.000 2 B 34.270 1 ATOM 1397 C CA . THR 50 370 ? B -0.794 -34.436 -12.950 1.000 2 B 34.270 1 ATOM 1398 C C . THR 50 370 ? B 0.003 -34.542 -11.653 1.000 2 B 34.270 1 ATOM 1399 O O . THR 50 370 ? B 1.203 -34.823 -11.677 1.000 2 B 34.270 1 ATOM 1400 C CB . THR 50 370 ? B -1.254 -35.838 -13.389 1.000 2 B 34.270 1 ATOM 1401 O OG1 . THR 50 370 ? B -0.108 -36.684 -13.545 1.000 2 B 34.270 1 ATOM 1402 C CG2 . THR 50 370 ? B -2.012 -35.779 -14.711 1.000 2 B 34.270 1 ATOM 1403 N N . SER 51 371 ? B -0.344 -33.772 -10.596 1.000 2 B 42.215 1 ATOM 1404 C CA . SER 51 371 ? B -0.475 -34.278 -9.234 1.000 2 B 42.215 1 ATOM 1405 C C . SER 51 371 ? B -1.138 -33.249 -8.323 1.000 2 B 42.215 1 ATOM 1406 O O . SER 51 371 ? B -0.816 -32.061 -8.384 1.000 2 B 42.215 1 ATOM 1407 C CB . SER 51 371 ? B 0.893 -34.664 -8.671 1.000 2 B 42.215 1 ATOM 1408 O OG . SER 51 371 ? B 1.230 -33.846 -7.563 1.000 2 B 42.215 1 ATOM 1409 N N . ASN 52 372 ? B -2.472 -33.323 -8.109 1.000 2 B 36.850 1 ATOM 1410 C CA . ASN 52 372 ? B -3.212 -33.623 -6.887 1.000 2 B 36.850 1 ATOM 1411 C C . ASN 52 372 ? B -3.140 -32.470 -5.891 1.000 2 B 36.850 1 ATOM 1412 O O . ASN 52 372 ? B -2.064 -32.143 -5.388 1.000 2 B 36.850 1 ATOM 1413 C CB . ASN 52 372 ? B -2.689 -34.911 -6.247 1.000 2 B 36.850 1 ATOM 1414 C CG . ASN 52 372 ? B -3.770 -35.961 -6.082 1.000 2 B 36.850 1 ATOM 1415 O OD1 . ASN 52 372 ? B -4.606 -36.154 -6.968 1.000 2 B 36.850 1 ATOM 1416 N ND2 . ASN 52 372 ? B -3.762 -36.647 -4.945 1.000 2 B 36.850 1 ATOM 1417 N N . GLY 53 373 ? B -4.088 -31.545 -5.794 1.000 2 B 36.451 1 ATOM 1418 C CA . GLY 53 373 ? B -4.546 -31.238 -4.448 1.000 2 B 36.451 1 ATOM 1419 C C . GLY 53 373 ? B -5.702 -30.257 -4.420 1.000 2 B 36.451 1 ATOM 1420 O O . GLY 53 373 ? B -5.570 -29.121 -4.879 1.000 2 B 36.451 1 ATOM 1421 N N . HIS 54 374 ? B -6.850 -30.611 -4.810 1.000 2 B 34.483 1 ATOM 1422 C CA . HIS 54 374 ? B -8.205 -30.319 -4.355 1.000 2 B 34.483 1 ATOM 1423 C C . HIS 54 374 ? B -8.304 -30.392 -2.835 1.000 2 B 34.483 1 ATOM 1424 O O . HIS 54 374 ? B -7.976 -31.419 -2.236 1.000 2 B 34.483 1 ATOM 1425 C CB . HIS 54 374 ? B -9.204 -31.285 -4.994 1.000 2 B 34.483 1 ATOM 1426 C CG . HIS 54 374 ? B -9.625 -30.889 -6.373 1.000 2 B 34.483 1 ATOM 1427 N ND1 . HIS 54 374 ? B -10.572 -29.916 -6.611 1.000 2 B 34.483 1 ATOM 1428 C CD2 . HIS 54 374 ? B -9.225 -31.334 -7.587 1.000 2 B 34.483 1 ATOM 1429 C CE1 . HIS 54 374 ? B -10.736 -29.780 -7.916 1.000 2 B 34.483 1 ATOM 1430 N NE2 . HIS 54 374 ? B -9.931 -30.629 -8.531 1.000 2 B 34.483 1 ATOM 1431 N N . GLN 55 375 ? B -8.045 -29.364 -2.042 1.000 2 B 36.174 1 ATOM 1432 C CA . GLN 55 375 ? B -8.725 -29.078 -0.783 1.000 2 B 36.174 1 ATOM 1433 C C . GLN 55 375 ? B -9.486 -27.757 -0.857 1.000 2 B 36.174 1 ATOM 1434 O O . GLN 55 375 ? B -8.927 -26.735 -1.258 1.000 2 B 36.174 1 ATOM 1435 C CB . GLN 55 375 ? B -7.723 -29.044 0.372 1.000 2 B 36.174 1 ATOM 1436 C CG . GLN 55 375 ? B -7.037 -30.378 0.631 1.000 2 B 36.174 1 ATOM 1437 C CD . GLN 55 375 ? B -7.282 -30.902 2.034 1.000 2 B 36.174 1 ATOM 1438 O OE1 . GLN 55 375 ? B -6.812 -30.322 3.018 1.000 2 B 36.174 1 ATOM 1439 N NE2 . GLN 55 375 ? B -8.019 -32.002 2.135 1.000 2 B 36.174 1 ATOM 1440 N N . SER 56 376 ? B -10.658 -27.647 -1.436 1.000 2 B 37.539 1 ATOM 1441 C CA . SER 56 376 ? B -11.972 -27.174 -1.012 1.000 2 B 37.539 1 ATOM 1442 C C . SER 56 376 ? B -11.939 -26.666 0.425 1.000 2 B 37.539 1 ATOM 1443 O O . SER 56 376 ? B -11.377 -27.319 1.308 1.000 2 B 37.539 1 ATOM 1444 C CB . SER 56 376 ? B -13.012 -28.287 -1.144 1.000 2 B 37.539 1 ATOM 1445 O OG . SER 56 376 ? B -12.547 -29.309 -2.009 1.000 2 B 37.539 1 ATOM 1446 N N . LYS 57 377 ? B -11.918 -25.393 0.705 1.000 2 B 36.718 1 ATOM 1447 C CA . LYS 57 377 ? B -12.749 -24.429 1.420 1.000 2 B 36.718 1 ATOM 1448 C C . LYS 57 377 ? B -13.347 -25.047 2.681 1.000 2 B 36.718 1 ATOM 1449 O O . LYS 57 377 ? B -14.123 -26.002 2.603 1.000 2 B 36.718 1 ATOM 1450 C CB . LYS 57 377 ? B -13.865 -23.905 0.514 1.000 2 B 36.718 1 ATOM 1451 C CG . LYS 57 377 ? B -13.367 -23.098 -0.677 1.000 2 B 36.718 1 ATOM 1452 C CD . LYS 57 377 ? B -14.441 -22.151 -1.198 1.000 2 B 36.718 1 ATOM 1453 C CE . LYS 57 377 ? B -14.038 -21.524 -2.526 1.000 2 B 36.718 1 ATOM 1454 N NZ . LYS 57 377 ? B -15.173 -20.788 -3.158 1.000 2 B 36.718 1 ATOM 1455 N N . SER 58 378 ? B -12.649 -25.160 3.776 1.000 2 B 41.805 1 ATOM 1456 C CA . SER 58 378 ? B -13.276 -25.276 5.089 1.000 2 B 41.805 1 ATOM 1457 C C . SER 58 378 ? B -12.482 -24.521 6.150 1.000 2 B 41.805 1 ATOM 1458 O O . SER 58 378 ? B -11.346 -24.887 6.460 1.000 2 B 41.805 1 ATOM 1459 C CB . SER 58 378 ? B -13.411 -26.745 5.491 1.000 2 B 41.805 1 ATOM 1460 O OG . SER 58 378 ? B -12.487 -27.074 6.514 1.000 2 B 41.805 1 ATOM 1461 N N . MET 59 379 ? B -12.452 -23.161 6.333 1.000 2 B 45.181 1 ATOM 1462 C CA . MET 59 379 ? B -12.247 -22.816 7.737 1.000 2 B 45.181 1 ATOM 1463 C C . MET 59 379 ? B -13.014 -21.551 8.104 1.000 2 B 45.181 1 ATOM 1464 O O . MET 59 379 ? B -12.728 -20.919 9.122 1.000 2 B 45.181 1 ATOM 1465 C CB . MET 59 379 ? B -10.758 -22.629 8.033 1.000 2 B 45.181 1 ATOM 1466 C CG . MET 59 379 ? B -9.967 -23.927 8.042 1.000 2 B 45.181 1 ATOM 1467 S SD . MET 59 379 ? B -8.386 -23.781 8.962 1.000 2 B 45.181 1 ATOM 1468 C CE . MET 59 379 ? B -9.014 -23.664 10.661 1.000 2 B 45.181 1 ATOM 1469 N N . LEU 60 380 ? B -14.268 -21.296 7.645 1.000 2 B 42.096 1 ATOM 1470 C CA . LEU 60 380 ? B -15.016 -20.226 8.296 1.000 2 B 42.096 1 ATOM 1471 C C . LEU 60 380 ? B -16.158 -20.792 9.132 1.000 2 B 42.096 1 ATOM 1472 O O . LEU 60 380 ? B -16.832 -20.052 9.853 1.000 2 B 42.096 1 ATOM 1473 C CB . LEU 60 380 ? B -15.565 -19.246 7.256 1.000 2 B 42.096 1 ATOM 1474 C CG . LEU 60 380 ? B -15.333 -17.760 7.534 1.000 2 B 42.096 1 ATOM 1475 C CD1 . LEU 60 380 ? B -14.489 -17.139 6.426 1.000 2 B 42.096 1 ATOM 1476 C CD2 . LEU 60 380 ? B -16.662 -17.028 7.675 1.000 2 B 42.096 1 ATOM 1477 N N . LYS 61 381 ? B -16.008 -22.023 9.782 1.000 2 B 48.836 1 ATOM 1478 C CA . LYS 61 381 ? B -17.072 -22.449 10.686 1.000 2 B 48.836 1 ATOM 1479 C C . LYS 61 381 ? B -16.516 -22.796 12.064 1.000 2 B 48.836 1 ATOM 1480 O O . LYS 61 381 ? B -17.265 -22.869 13.041 1.000 2 B 48.836 1 ATOM 1481 C CB . LYS 61 381 ? B -17.820 -23.650 10.105 1.000 2 B 48.836 1 ATOM 1482 C CG . LYS 61 381 ? B -19.211 -23.854 10.689 1.000 2 B 48.836 1 ATOM 1483 C CD . LYS 61 381 ? B -20.294 -23.635 9.641 1.000 2 B 48.836 1 ATOM 1484 C CE . LYS 61 381 ? B -21.639 -24.177 10.105 1.000 2 B 48.836 1 ATOM 1485 N NZ . LYS 61 381 ? B -22.749 -23.755 9.199 1.000 2 B 48.836 1 ATOM 1486 N N . ASP 62 382 ? B -15.282 -22.388 12.330 1.000 2 B 52.480 1 ATOM 1487 C CA . ASP 62 382 ? B -14.882 -22.653 13.709 1.000 2 B 52.480 1 ATOM 1488 C C . ASP 62 382 ? B -14.683 -21.352 14.483 1.000 2 B 52.480 1 ATOM 1489 O O . ASP 62 382 ? B -14.297 -21.373 15.653 1.000 2 B 52.480 1 ATOM 1490 C CB . ASP 62 382 ? B -13.601 -23.488 13.745 1.000 2 B 52.480 1 ATOM 1491 C CG . ASP 62 382 ? B -13.867 -24.983 13.784 1.000 2 B 52.480 1 ATOM 1492 O OD1 . ASP 62 382 ? B -14.738 -25.427 14.562 1.000 2 B 52.480 1 ATOM 1493 O OD2 . ASP 62 382 ? B -13.197 -25.723 13.032 1.000 2 B 52.480 1 ATOM 1494 N N . ASP 63 383 ? B -15.109 -20.233 13.907 1.000 2 B 49.940 1 ATOM 1495 C CA . ASP 63 383 ? B -14.965 -19.068 14.774 1.000 2 B 49.940 1 ATOM 1496 C C . ASP 63 383 ? B -16.316 -18.636 15.342 1.000 2 B 49.940 1 ATOM 1497 O O . ASP 63 383 ? B -16.374 -17.836 16.277 1.000 2 B 49.940 1 ATOM 1498 C CB . ASP 63 383 ? B -14.320 -17.908 14.013 1.000 2 B 49.940 1 ATOM 1499 C CG . ASP 63 383 ? B -13.106 -17.335 14.723 1.000 2 B 49.940 1 ATOM 1500 O OD1 . ASP 63 383 ? B -12.903 -17.632 15.920 1.000 2 B 49.940 1 ATOM 1501 O OD2 . ASP 63 383 ? B -12.348 -16.576 14.081 1.000 2 B 49.940 1 ATOM 1502 N N . LEU 64 384 ? B -17.415 -19.426 15.061 1.000 2 B 50.187 1 ATOM 1503 C CA . LEU 64 384 ? B -18.703 -19.027 15.618 1.000 2 B 50.187 1 ATOM 1504 C C . LEU 64 384 ? B -19.245 -20.099 16.558 1.000 2 B 50.187 1 ATOM 1505 O O . LEU 64 384 ? B -20.316 -19.931 17.145 1.000 2 B 50.187 1 ATOM 1506 C CB . LEU 64 384 ? B -19.711 -18.756 14.498 1.000 2 B 50.187 1 ATOM 1507 C CG . LEU 64 384 ? B -19.793 -17.314 13.994 1.000 2 B 50.187 1 ATOM 1508 C CD1 . LEU 64 384 ? B -19.891 -17.290 12.472 1.000 2 B 50.187 1 ATOM 1509 C CD2 . LEU 64 384 ? B -20.981 -16.594 14.623 1.000 2 B 50.187 1 ATOM 1510 N N . LYS 65 385 ? B -18.394 -20.798 17.469 1.000 2 B 49.969 1 ATOM 1511 C CA . LYS 65 385 ? B -18.946 -21.562 18.583 1.000 2 B 49.969 1 ATOM 1512 C C . LYS 65 385 ? B -18.376 -21.083 19.915 1.000 2 B 49.969 1 ATOM 1513 O O . LYS 65 385 ? B -17.160 -20.955 20.065 1.000 2 B 49.969 1 ATOM 1514 C CB . LYS 65 385 ? B -18.668 -23.055 18.401 1.000 2 B 49.969 1 ATOM 1515 C CG . LYS 65 385 ? B -19.634 -23.754 17.457 1.000 2 B 49.969 1 ATOM 1516 C CD . LYS 65 385 ? B -19.376 -25.255 17.403 1.000 2 B 49.969 1 ATOM 1517 C CE . LYS 65 385 ? B -20.357 -25.959 16.475 1.000 2 B 49.969 1 ATOM 1518 N NZ . LYS 65 385 ? B -20.205 -27.444 16.532 1.000 2 B 49.969 1 ATOM 1519 N N . LEU 66 386 ? B -18.798 -20.059 20.560 1.000 2 B 38.316 1 ATOM 1520 C CA . LEU 66 386 ? B -19.272 -19.742 21.902 1.000 2 B 38.316 1 ATOM 1521 C C . LEU 66 386 ? B -18.495 -20.528 22.953 1.000 2 B 38.316 1 ATOM 1522 O O . LEU 66 386 ? B -18.565 -21.759 22.991 1.000 2 B 38.316 1 ATOM 1523 C CB . LEU 66 386 ? B -20.768 -20.042 22.027 1.000 2 B 38.316 1 ATOM 1524 C CG . LEU 66 386 ? B -21.695 -19.267 21.089 1.000 2 B 38.316 1 ATOM 1525 C CD1 . LEU 66 386 ? B -23.129 -19.767 21.230 1.000 2 B 38.316 1 ATOM 1526 C CD2 . LEU 66 386 ? B -21.614 -17.771 21.373 1.000 2 B 38.316 1 ATOM 1527 N N . SER 67 387 ? B -17.449 -19.934 23.543 1.000 2 B 40.651 1 ATOM 1528 C CA . SER 67 387 ? B -17.351 -20.305 24.951 1.000 2 B 40.651 1 ATOM 1529 C C . SER 67 387 ? B -17.393 -19.075 25.851 1.000 2 B 40.651 1 ATOM 1530 O O . SER 67 387 ? B -16.592 -18.153 25.689 1.000 2 B 40.651 1 ATOM 1531 C CB . SER 67 387 ? B -16.066 -21.093 25.210 1.000 2 B 40.651 1 ATOM 1532 O OG . SER 67 387 ? B -16.187 -22.423 24.736 1.000 2 B 40.651 1 ATOM 1533 N N . SER 68 388 ? B -18.483 -18.496 26.107 1.000 2 B 40.303 1 ATOM 1534 C CA . SER 68 388 ? B -18.966 -18.096 27.425 1.000 2 B 40.303 1 ATOM 1535 C C . SER 68 388 ? B -18.906 -19.258 28.411 1.000 2 B 40.303 1 ATOM 1536 O O . SER 68 388 ? B -19.445 -20.334 28.144 1.000 2 B 40.303 1 ATOM 1537 C CB . SER 68 388 ? B -20.398 -17.567 27.333 1.000 2 B 40.303 1 ATOM 1538 O OG . SER 68 388 ? B -21.324 -18.636 27.241 1.000 2 B 40.303 1 ATOM 1539 N N . SER 69 389 ? B -17.808 -19.570 29.111 1.000 2 B 47.980 1 ATOM 1540 C CA . SER 69 389 ? B -17.816 -20.213 30.421 1.000 2 B 47.980 1 ATOM 1541 C C . SER 69 389 ? B -16.798 -19.572 31.357 1.000 2 B 47.980 1 ATOM 1542 O O . SER 69 389 ? B -15.683 -19.248 30.943 1.000 2 B 47.980 1 ATOM 1543 C CB . SER 69 389 ? B -17.526 -21.708 30.285 1.000 2 B 47.980 1 ATOM 1544 O OG . SER 69 389 ? B -16.638 -22.143 31.301 1.000 2 B 47.980 1 ATOM 1545 N N . GLU 70 390 ? B -17.208 -18.553 32.198 1.000 2 B 43.993 1 ATOM 1546 C CA . GLU 70 390 ? B -17.355 -18.519 33.650 1.000 2 B 43.993 1 ATOM 1547 C C . GLU 70 390 ? B -16.038 -18.854 34.345 1.000 2 B 43.993 1 ATOM 1548 O O . GLU 70 390 ? B -15.389 -19.847 34.010 1.000 2 B 43.993 1 ATOM 1549 C CB . GLU 70 390 ? B -18.451 -19.487 34.103 1.000 2 B 43.993 1 ATOM 1550 C CG . GLU 70 390 ? B -18.941 -19.240 35.522 1.000 2 B 43.993 1 ATOM 1551 C CD . GLU 70 390 ? B -20.416 -18.878 35.593 1.000 2 B 43.993 1 ATOM 1552 O OE1 . GLU 70 390 ? B -21.270 -19.784 35.465 1.000 2 B 43.993 1 ATOM 1553 O OE2 . GLU 70 390 ? B -20.720 -17.678 35.778 1.000 2 B 43.993 1 ATOM 1554 N N . ASP 71 391 ? B -15.235 -17.913 34.778 1.000 2 B 43.318 1 ATOM 1555 C CA . ASP 71 391 ? B -14.570 -17.588 36.037 1.000 2 B 43.318 1 ATOM 1556 C C . ASP 71 391 ? B -14.051 -18.849 36.725 1.000 2 B 43.318 1 ATOM 1557 O O . ASP 71 391 ? B -14.813 -19.787 36.970 1.000 2 B 43.318 1 ATOM 1558 C CB . ASP 71 391 ? B -15.523 -16.835 36.968 1.000 2 B 43.318 1 ATOM 1559 C CG . ASP 71 391 ? B -14.834 -16.291 38.207 1.000 2 B 43.318 1 ATOM 1560 O OD1 . ASP 71 391 ? B -13.732 -15.713 38.089 1.000 2 B 43.318 1 ATOM 1561 O OD2 . ASP 71 391 ? B -15.397 -16.446 39.313 1.000 2 B 43.318 1 ATOM 1562 N N . SER 72 392 ? B -12.824 -19.328 36.580 1.000 2 B 56.797 1 ATOM 1563 C CA . SER 72 392 ? B -12.172 -20.125 37.614 1.000 2 B 56.797 1 ATOM 1564 C C . SER 72 392 ? B -10.804 -19.554 37.973 1.000 2 B 56.797 1 ATOM 1565 O O . SER 72 392 ? B -9.977 -19.310 37.092 1.000 2 B 56.797 1 ATOM 1566 C CB . SER 72 392 ? B -12.022 -21.577 37.157 1.000 2 B 56.797 1 ATOM 1567 O OG . SER 72 392 ? B -12.289 -22.471 38.224 1.000 2 B 56.797 1 ATOM 1568 N N . ASP 73 393 ? B -10.670 -18.647 38.905 1.000 2 B 40.067 1 ATOM 1569 C CA . ASP 73 393 ? B -9.782 -18.397 40.036 1.000 2 B 40.067 1 ATOM 1570 C C . ASP 73 393 ? B -9.097 -19.683 40.492 1.000 2 B 40.067 1 ATOM 1571 O O . ASP 73 393 ? B -9.766 -20.653 40.856 1.000 2 B 40.067 1 ATOM 1572 C CB . ASP 73 393 ? B -10.557 -17.772 41.198 1.000 2 B 40.067 1 ATOM 1573 C CG . ASP 73 393 ? B -10.246 -16.299 41.394 1.000 2 B 40.067 1 ATOM 1574 O OD1 . ASP 73 393 ? B -9.119 -15.865 41.072 1.000 2 B 40.067 1 ATOM 1575 O OD2 . ASP 73 393 ? B -11.135 -15.566 41.879 1.000 2 B 40.067 1 ATOM 1576 N N . GLY 74 394 ? B -7.951 -20.091 40.031 1.000 2 B 43.055 1 ATOM 1577 C CA . GLY 74 394 ? B -7.063 -20.860 40.889 1.000 2 B 43.055 1 ATOM 1578 C C . GLY 74 394 ? B -5.594 -20.606 40.609 1.000 2 B 43.055 1 ATOM 1579 O O . GLY 74 394 ? B -5.180 -20.547 39.449 1.000 2 B 43.055 1 ATOM 1580 N N . GLU 75 395 ? B -4.937 -19.677 41.156 1.000 2 B 39.048 1 ATOM 1581 C CA . GLU 75 395 ? B -3.671 -19.562 41.874 1.000 2 B 39.048 1 ATOM 1582 C C . GLU 75 395 ? B -3.153 -20.933 42.302 1.000 2 B 39.048 1 ATOM 1583 O O . GLU 75 395 ? B -3.896 -21.732 42.874 1.000 2 B 39.048 1 ATOM 1584 C CB . GLU 75 395 ? B -3.825 -18.653 43.096 1.000 2 B 39.048 1 ATOM 1585 C CG . GLU 75 395 ? B -4.455 -17.304 42.783 1.000 2 B 39.048 1 ATOM 1586 C CD . GLU 75 395 ? B -3.645 -16.128 43.305 1.000 2 B 39.048 1 ATOM 1587 O OE1 . GLU 75 395 ? B -3.288 -15.234 42.505 1.000 2 B 39.048 1 ATOM 1588 O OE2 . GLU 75 395 ? B -3.365 -16.101 44.524 1.000 2 B 39.048 1 ATOM 1589 N N . GLN 76 396 ? B -2.236 -21.589 41.585 1.000 2 B 41.306 1 ATOM 1590 C CA . GLN 76 396 ? B -1.150 -22.349 42.196 1.000 2 B 41.306 1 ATOM 1591 C C . GLN 76 396 ? B -0.025 -22.600 41.197 1.000 2 B 41.306 1 ATOM 1592 O O . GLN 76 396 ? B -0.275 -23.018 40.064 1.000 2 B 41.306 1 ATOM 1593 C CB . GLN 76 396 ? B -1.668 -23.678 42.748 1.000 2 B 41.306 1 ATOM 1594 C CG . GLN 76 396 ? B -1.851 -23.687 44.260 1.000 2 B 41.306 1 ATOM 1595 C CD . GLN 76 396 ? B -2.320 -25.030 44.787 1.000 2 B 41.306 1 ATOM 1596 O OE1 . GLN 76 396 ? B -2.549 -25.968 44.017 1.000 2 B 41.306 1 ATOM 1597 N NE2 . GLN 76 396 ? B -2.466 -25.132 46.103 1.000 2 B 41.306 1 ATOM 1598 N N . ASP 77 397 ? B 1.060 -21.921 41.202 1.000 2 B 32.178 1 ATOM 1599 C CA . ASP 77 397 ? B 2.469 -22.134 41.520 1.000 2 B 32.178 1 ATOM 1600 C C . ASP 77 397 ? B 2.813 -23.622 41.520 1.000 2 B 32.178 1 ATOM 1601 O O . ASP 77 397 ? B 2.147 -24.418 42.186 1.000 2 B 32.178 1 ATOM 1602 C CB . ASP 77 397 ? B 2.814 -21.514 42.875 1.000 2 B 32.178 1 ATOM 1603 C CG . ASP 77 397 ? B 4.155 -20.803 42.878 1.000 2 B 32.178 1 ATOM 1604 O OD1 . ASP 77 397 ? B 5.205 -21.481 42.857 1.000 2 B 32.178 1 ATOM 1605 O OD2 . ASP 77 397 ? B 4.163 -19.553 42.905 1.000 2 B 32.178 1 ATOM 1606 N N . CYS 78 398 ? B 3.526 -24.161 40.478 1.000 2 B 37.014 1 ATOM 1607 C CA . CYS 78 398 ? B 4.686 -25.034 40.617 1.000 2 B 37.014 1 ATOM 1608 C C . CYS 78 398 ? B 5.403 -25.206 39.284 1.000 2 B 37.014 1 ATOM 1609 O O . CYS 78 398 ? B 4.773 -25.509 38.269 1.000 2 B 37.014 1 ATOM 1610 C CB . CYS 78 398 ? B 4.267 -26.400 41.161 1.000 2 B 37.014 1 ATOM 1611 S SG . CYS 78 398 ? B 2.763 -27.054 40.404 1.000 2 B 37.014 1 ATOM 1612 N N . ASP 79 399 ? B 6.496 -24.525 39.006 1.000 2 B 33.520 1 ATOM 1613 C CA . ASP 79 399 ? B 7.934 -24.769 38.948 1.000 2 B 33.520 1 ATOM 1614 C C . ASP 79 399 ? B 8.232 -26.251 38.739 1.000 2 B 33.520 1 ATOM 1615 O O . ASP 79 399 ? B 7.704 -27.104 39.456 1.000 2 B 33.520 1 ATOM 1616 C CB . ASP 79 399 ? B 8.615 -24.271 40.226 1.000 2 B 33.520 1 ATOM 1617 C CG . ASP 79 399 ? B 9.218 -22.886 40.075 1.000 2 B 33.520 1 ATOM 1618 O OD1 . ASP 79 399 ? B 9.824 -22.596 39.021 1.000 2 B 33.520 1 ATOM 1619 O OD2 . ASP 79 399 ? B 9.089 -22.078 41.020 1.000 2 B 33.520 1 ATOM 1620 N N . LYS 80 400 ? B 8.657 -26.697 37.532 1.000 2 B 37.274 1 ATOM 1621 C CA . LYS 80 400 ? B 9.851 -27.517 37.351 1.000 2 B 37.274 1 ATOM 1622 C C . LYS 80 400 ? B 9.589 -28.662 36.377 1.000 2 B 37.274 1 ATOM 1623 O O . LYS 80 400 ? B 8.586 -29.369 36.496 1.000 2 B 37.274 1 ATOM 1624 C CB . LYS 80 400 ? B 10.331 -28.070 38.693 1.000 2 B 37.274 1 ATOM 1625 C CG . LYS 80 400 ? B 10.919 -27.018 39.622 1.000 2 B 37.274 1 ATOM 1626 C CD . LYS 80 400 ? B 12.110 -27.562 40.401 1.000 2 B 37.274 1 ATOM 1627 C CE . LYS 80 400 ? B 12.630 -26.547 41.409 1.000 2 B 37.274 1 ATOM 1628 N NZ . LYS 80 400 ? B 13.797 -27.077 42.176 1.000 2 B 37.274 1 ATOM 1629 N N . THR 81 401 ? B 10.079 -28.628 35.126 1.000 2 B 36.262 1 ATOM 1630 C CA . THR 81 401 ? B 10.999 -29.588 34.525 1.000 2 B 36.262 1 ATOM 1631 C C . THR 81 401 ? B 10.825 -29.628 33.010 1.000 2 B 36.262 1 ATOM 1632 O O . THR 81 401 ? B 9.699 -29.626 32.508 1.000 2 B 36.262 1 ATOM 1633 C CB . THR 81 401 ? B 10.792 -30.999 35.106 1.000 2 B 36.262 1 ATOM 1634 O OG1 . THR 81 401 ? B 9.428 -31.143 35.521 1.000 2 B 36.262 1 ATOM 1635 C CG2 . THR 81 401 ? B 11.703 -31.239 36.305 1.000 2 B 36.262 1 ATOM 1636 N N . MET 82 402 ? B 11.652 -28.941 32.267 1.000 2 B 30.055 1 ATOM 1637 C CA . MET 82 402 ? B 12.417 -29.323 31.084 1.000 2 B 30.055 1 ATOM 1638 C C . MET 82 402 ? B 12.784 -30.803 31.127 1.000 2 B 30.055 1 ATOM 1639 O O . MET 82 402 ? B 13.151 -31.325 32.181 1.000 2 B 30.055 1 ATOM 1640 C CB . MET 82 402 ? B 13.684 -28.474 30.964 1.000 2 B 30.055 1 ATOM 1641 C CG . MET 82 402 ? B 13.558 -27.321 29.981 1.000 2 B 30.055 1 ATOM 1642 S SD . MET 82 402 ? B 14.930 -27.283 28.763 1.000 2 B 30.055 1 ATOM 1643 C CE . MET 82 402 ? B 14.541 -25.741 27.890 1.000 2 B 30.055 1 ATOM 1644 N N . PRO 83 403 ? B 13.216 -31.412 29.952 1.000 2 B 51.878 1 ATOM 1645 C CA . PRO 83 403 ? B 13.047 -31.619 28.512 1.000 2 B 51.878 1 ATOM 1646 C C . PRO 83 403 ? B 13.281 -33.068 28.092 1.000 2 B 51.878 1 ATOM 1647 O O . PRO 83 403 ? B 13.711 -33.889 28.907 1.000 2 B 51.878 1 ATOM 1648 C CB . PRO 83 403 ? B 14.101 -30.695 27.897 1.000 2 B 51.878 1 ATOM 1649 C CG . PRO 83 403 ? B 15.248 -30.734 28.854 1.000 2 B 51.878 1 ATOM 1650 C CD . PRO 83 403 ? B 14.836 -31.526 30.061 1.000 2 B 51.878 1 ATOM 1651 N N . ARG 84 404 ? B 12.720 -33.696 27.172 1.000 2 B 39.428 1 ATOM 1652 C CA . ARG 84 404 ? B 13.361 -34.817 26.493 1.000 2 B 39.428 1 ATOM 1653 C C . ARG 84 404 ? B 12.536 -35.274 25.294 1.000 2 B 39.428 1 ATOM 1654 O O . ARG 84 404 ? B 11.323 -35.464 25.405 1.000 2 B 39.428 1 ATOM 1655 C CB . ARG 84 404 ? B 13.570 -35.984 27.460 1.000 2 B 39.428 1 ATOM 1656 C CG . ARG 84 404 ? B 14.228 -37.200 26.826 1.000 2 B 39.428 1 ATOM 1657 C CD . ARG 84 404 ? B 14.904 -38.082 27.867 1.000 2 B 39.428 1 ATOM 1658 N NE . ARG 84 404 ? B 15.666 -39.161 27.245 1.000 2 B 39.428 1 ATOM 1659 C CZ . ARG 84 404 ? B 16.533 -39.942 27.883 1.000 2 B 39.428 1 ATOM 1660 N NH1 . ARG 84 404 ? B 16.767 -39.777 29.180 1.000 2 B 39.428 1 ATOM 1661 N NH2 . ARG 84 404 ? B 17.172 -40.894 27.220 1.000 2 B 39.428 1 ATOM 1662 N N . SER 85 405 ? B 12.965 -34.935 23.962 1.000 2 B 33.952 1 ATOM 1663 C CA . SER 85 405 ? B 13.480 -35.599 22.769 1.000 2 B 33.952 1 ATOM 1664 C C . SER 85 405 ? B 12.573 -36.747 22.340 1.000 2 B 33.952 1 ATOM 1665 O O . SER 85 405 ? B 12.111 -37.526 23.176 1.000 2 B 33.952 1 ATOM 1666 C CB . SER 85 405 ? B 14.896 -36.122 23.015 1.000 2 B 33.952 1 ATOM 1667 O OG . SER 85 405 ? B 15.788 -35.053 23.279 1.000 2 B 33.952 1 ATOM 1668 N N . THR 86 406 ? B 11.962 -36.780 21.175 1.000 2 B 28.684 1 ATOM 1669 C CA . THR 86 406 ? B 11.751 -37.479 19.913 1.000 2 B 28.684 1 ATOM 1670 C C . THR 86 406 ? B 11.726 -38.990 20.128 1.000 2 B 28.684 1 ATOM 1671 O O . THR 86 406 ? B 12.502 -39.521 20.925 1.000 2 B 28.684 1 ATOM 1672 C CB . THR 86 406 ? B 12.843 -37.122 18.887 1.000 2 B 28.684 1 ATOM 1673 O OG1 . THR 86 406 ? B 14.109 -37.044 19.554 1.000 2 B 28.684 1 ATOM 1674 C CG2 . THR 86 406 ? B 12.551 -35.784 18.217 1.000 2 B 28.684 1 ATOM 1675 N N . PRO 87 407 ? B 11.216 -39.863 19.215 1.000 2 B 39.008 1 ATOM 1676 C CA . PRO 87 407 ? B 10.880 -40.132 17.814 1.000 2 B 39.008 1 ATOM 1677 C C . PRO 87 407 ? B 9.871 -41.267 17.658 1.000 2 B 39.008 1 ATOM 1678 O O . PRO 87 407 ? B 9.680 -42.060 18.583 1.000 2 B 39.008 1 ATOM 1679 C CB . PRO 87 407 ? B 12.227 -40.510 17.194 1.000 2 B 39.008 1 ATOM 1680 C CG . PRO 87 407 ? B 12.959 -41.230 18.280 1.000 2 B 39.008 1 ATOM 1681 C CD . PRO 87 407 ? B 12.138 -41.161 19.536 1.000 2 B 39.008 1 ATOM 1682 N N . GLY 88 408 ? B 8.885 -41.265 16.819 1.000 2 B 26.852 1 ATOM 1683 C CA . GLY 88 408 ? B 8.710 -42.295 15.808 1.000 2 B 26.852 1 ATOM 1684 C C . GLY 88 408 ? B 7.681 -43.341 16.193 1.000 2 B 26.852 1 ATOM 1685 O O . GLY 88 408 ? B 7.805 -43.988 17.235 1.000 2 B 26.852 1 ATOM 1686 N N . SER 89 409 ? B 6.403 -43.257 15.783 1.000 2 B 45.194 1 ATOM 1687 C CA . SER 89 409 ? B 5.563 -44.442 15.643 1.000 2 B 45.194 1 ATOM 1688 C C . SER 89 409 ? B 4.590 -44.295 14.478 1.000 2 B 45.194 1 ATOM 1689 O O . SER 89 409 ? B 3.916 -43.271 14.350 1.000 2 B 45.194 1 ATOM 1690 C CB . SER 89 409 ? B 4.788 -44.705 16.935 1.000 2 B 45.194 1 ATOM 1691 O OG . SER 89 409 ? B 4.739 -46.092 17.219 1.000 2 B 45.194 1 ATOM 1692 N N . ASN 90 410 ? B 4.926 -44.703 13.257 1.000 2 B 31.197 1 ATOM 1693 C CA . ASN 90 410 ? B 4.333 -45.574 12.248 1.000 2 B 31.197 1 ATOM 1694 C C . ASN 90 410 ? B 3.063 -46.245 12.763 1.000 2 B 31.197 1 ATOM 1695 O O . ASN 90 410 ? B 3.091 -46.936 13.783 1.000 2 B 31.197 1 ATOM 1696 C CB . ASN 90 410 ? B 5.342 -46.628 11.788 1.000 2 B 31.197 1 ATOM 1697 C CG . ASN 90 410 ? B 6.164 -46.170 10.599 1.000 2 B 31.197 1 ATOM 1698 O OD1 . ASN 90 410 ? B 6.086 -45.011 10.184 1.000 2 B 31.197 1 ATOM 1699 N ND2 . ASN 90 410 ? B 6.959 -47.077 10.043 1.000 2 B 31.197 1 ATOM 1700 N N . SER 91 411 ? B 1.844 -45.791 12.459 1.000 2 B 40.359 1 ATOM 1701 C CA . SER 91 411 ? B 0.693 -46.672 12.288 1.000 2 B 40.359 1 ATOM 1702 C C . SER 91 411 ? B -0.241 -46.156 11.198 1.000 2 B 40.359 1 ATOM 1703 O O . SER 91 411 ? B -0.590 -44.974 11.180 1.000 2 B 40.359 1 ATOM 1704 C CB . SER 91 411 ? B -0.075 -46.813 13.603 1.000 2 B 40.359 1 ATOM 1705 O OG . SER 91 411 ? B 0.769 -47.313 14.627 1.000 2 B 40.359 1 ATOM 1706 N N . GLU 92 412 ? B -0.098 -46.543 9.936 1.000 2 B 29.730 1 ATOM 1707 C CA . GLU 92 412 ? B -1.012 -47.106 8.946 1.000 2 B 29.730 1 ATOM 1708 C C . GLU 92 412 ? B -2.319 -47.555 9.595 1.000 2 B 29.730 1 ATOM 1709 O O . GLU 92 412 ? B -2.307 -48.301 10.576 1.000 2 B 29.730 1 ATOM 1710 C CB . GLU 92 412 ? B -0.357 -48.281 8.216 1.000 2 B 29.730 1 ATOM 1711 C CG . GLU 92 412 ? B -0.342 -48.132 6.701 1.000 2 B 29.730 1 ATOM 1712 C CD . GLU 92 412 ? B 0.405 -49.252 5.996 1.000 2 B 29.730 1 ATOM 1713 O OE1 . GLU 92 412 ? B -0.233 -50.257 5.607 1.000 2 B 29.730 1 ATOM 1714 O OE2 . GLU 92 412 ? B 1.639 -49.125 5.831 1.000 2 B 29.730 1 ATOM 1715 N N . PRO 93 413 ? B -3.508 -47.035 9.168 1.000 2 B 44.972 1 ATOM 1716 C CA . PRO 93 413 ? B -4.709 -47.865 9.054 1.000 2 B 44.972 1 ATOM 1717 C C . PRO 93 413 ? B -5.295 -47.866 7.643 1.000 2 B 44.972 1 ATOM 1718 O O . PRO 93 413 ? B -5.137 -46.891 6.905 1.000 2 B 44.972 1 ATOM 1719 C CB . PRO 93 413 ? B -5.679 -47.219 10.047 1.000 2 B 44.972 1 ATOM 1720 C CG . PRO 93 413 ? B -5.209 -45.806 10.175 1.000 2 B 44.972 1 ATOM 1721 C CD . PRO 93 413 ? B -3.982 -45.632 9.327 1.000 2 B 44.972 1 ATOM 1722 N N . SER 94 414 ? B -5.141 -48.968 6.835 1.000 2 B 36.721 1 ATOM 1723 C CA . SER 94 414 ? B -5.948 -49.946 6.113 1.000 2 B 36.721 1 ATOM 1724 C C . SER 94 414 ? B -7.417 -49.538 6.085 1.000 2 B 36.721 1 ATOM 1725 O O . SER 94 414 ? B -7.957 -49.073 7.091 1.000 2 B 36.721 1 ATOM 1726 C CB . SER 94 414 ? B -5.807 -51.331 6.747 1.000 2 B 36.721 1 ATOM 1727 O OG . SER 94 414 ? B -5.323 -51.229 8.075 1.000 2 B 36.721 1 ATOM 1728 N N . HIS 95 415 ? B -8.032 -49.276 4.940 1.000 2 B 34.988 1 ATOM 1729 C CA . HIS 95 415 ? B -8.993 -49.920 4.050 1.000 2 B 34.988 1 ATOM 1730 C C . HIS 95 415 ? B -10.420 -49.733 4.553 1.000 2 B 34.988 1 ATOM 1731 O O . HIS 95 415 ? B -10.725 -50.054 5.704 1.000 2 B 34.988 1 ATOM 1732 C CB . HIS 95 415 ? B -8.676 -51.410 3.909 1.000 2 B 34.988 1 ATOM 1733 C CG . HIS 95 415 ? B -7.550 -51.698 2.967 1.000 2 B 34.988 1 ATOM 1734 N ND1 . HIS 95 415 ? B -7.693 -51.645 1.598 1.000 2 B 34.988 1 ATOM 1735 C CD2 . HIS 95 415 ? B -6.261 -52.038 3.202 1.000 2 B 34.988 1 ATOM 1736 C CE1 . HIS 95 415 ? B -6.537 -51.943 1.029 1.000 2 B 34.988 1 ATOM 1737 N NE2 . HIS 95 415 ? B -5.651 -52.185 1.980 1.000 2 B 34.988 1 ATOM 1738 N N . HIS 96 416 ? B -11.225 -48.842 3.958 1.000 2 B 39.579 1 ATOM 1739 C CA . HIS 96 416 ? B -12.634 -49.146 3.736 1.000 2 B 39.579 1 ATOM 1740 C C . HIS 96 416 ? B -13.177 -48.391 2.528 1.000 2 B 39.579 1 ATOM 1741 O O . HIS 96 416 ? B -12.969 -47.182 2.402 1.000 2 B 39.579 1 ATOM 1742 C CB . HIS 96 416 ? B -13.458 -48.809 4.980 1.000 2 B 39.579 1 ATOM 1743 C CG . HIS 96 416 ? B -13.146 -49.674 6.159 1.000 2 B 39.579 1 ATOM 1744 N ND1 . HIS 96 416 ? B -13.460 -51.016 6.201 1.000 2 B 39.579 1 ATOM 1745 C CD2 . HIS 96 416 ? B -12.545 -49.388 7.338 1.000 2 B 39.579 1 ATOM 1746 C CE1 . HIS 96 416 ? B -13.065 -51.518 7.359 1.000 2 B 39.579 1 ATOM 1747 N NE2 . HIS 96 416 ? B -12.507 -50.551 8.067 1.000 2 B 39.579 1 ATOM 1748 N N . ASN 97 417 ? B -13.139 -48.943 1.302 1.000 2 B 34.291 1 ATOM 1749 C CA . ASN 97 417 ? B -14.000 -49.272 0.171 1.000 2 B 34.291 1 ATOM 1750 C C . ASN 97 417 ? B -15.423 -49.588 0.622 1.000 2 B 34.291 1 ATOM 1751 O O . ASN 97 417 ? B -15.635 -50.490 1.434 1.000 2 B 34.291 1 ATOM 1752 C CB . ASN 97 417 ? B -13.420 -50.447 -0.621 1.000 2 B 34.291 1 ATOM 1753 C CG . ASN 97 417 ? B -12.437 -50.004 -1.687 1.000 2 B 34.291 1 ATOM 1754 O OD1 . ASN 97 417 ? B -11.990 -48.855 -1.698 1.000 2 B 34.291 1 ATOM 1755 N ND2 . ASN 97 417 ? B -12.094 -50.914 -2.590 1.000 2 B 34.291 1 ATOM 1756 N N . SER 98 418 ? B -16.415 -48.664 0.536 1.000 2 B 42.442 1 ATOM 1757 C CA . SER 98 418 ? B -17.824 -48.995 0.352 1.000 2 B 42.442 1 ATOM 1758 C C . SER 98 418 ? B -18.525 -47.964 -0.526 1.000 2 B 42.442 1 ATOM 1759 O O . SER 98 418 ? B -18.300 -46.761 -0.379 1.000 2 B 42.442 1 ATOM 1760 C CB . SER 98 418 ? B -18.533 -49.093 1.704 1.000 2 B 42.442 1 ATOM 1761 O OG . SER 98 418 ? B -18.182 -48.000 2.536 1.000 2 B 42.442 1 ATOM 1762 N N . GLU 99 419 ? B -18.666 -48.139 -1.801 1.000 2 B 37.358 1 ATOM 1763 C CA . GLU 99 419 ? B -19.725 -48.547 -2.719 1.000 2 B 37.358 1 ATOM 1764 C C . GLU 99 419 ? B -21.081 -48.013 -2.269 1.000 2 B 37.358 1 ATOM 1765 O O . GLU 99 419 ? B -21.511 -48.265 -1.142 1.000 2 B 37.358 1 ATOM 1766 C CB . GLU 99 419 ? B -19.774 -50.072 -2.841 1.000 2 B 37.358 1 ATOM 1767 C CG . GLU 99 419 ? B -20.355 -50.566 -4.157 1.000 2 B 37.358 1 ATOM 1768 C CD . GLU 99 419 ? B -19.680 -51.825 -4.677 1.000 2 B 37.358 1 ATOM 1769 O OE1 . GLU 99 419 ? B -20.195 -52.938 -4.424 1.000 2 B 37.358 1 ATOM 1770 O OE2 . GLU 99 419 ? B -18.627 -51.698 -5.341 1.000 2 B 37.358 1 ATOM 1771 N N . GLY 100 420 ? B -21.631 -46.907 -2.751 1.000 2 B 42.877 1 ATOM 1772 C CA . GLY 100 420 ? B -23.059 -46.741 -2.966 1.000 2 B 42.877 1 ATOM 1773 C C . GLY 100 420 ? B -23.390 -45.634 -3.949 1.000 2 B 42.877 1 ATOM 1774 O O . GLY 100 420 ? B -22.807 -44.549 -3.890 1.000 2 B 42.877 1 ATOM 1775 N N . ALA 101 421 ? B -23.541 -45.896 -5.234 1.000 2 B 39.633 1 ATOM 1776 C CA . ALA 101 421 ? B -24.624 -46.048 -6.201 1.000 2 B 39.633 1 ATOM 1777 C C . ALA 101 421 ? B -25.689 -44.972 -6.006 1.000 2 B 39.633 1 ATOM 1778 O O . ALA 101 421 ? B -26.097 -44.692 -4.877 1.000 2 B 39.633 1 ATOM 1779 C CB . ALA 101 421 ? B -25.249 -47.436 -6.087 1.000 2 B 39.633 1 ATOM 1780 N N . ASP 102 422 ? B -25.785 -43.965 -6.909 1.000 2 B 33.243 1 ATOM 1781 C CA . ASP 102 422 ? B -26.840 -43.795 -7.902 1.000 2 B 33.243 1 ATOM 1782 C C . ASP 102 422 ? B -28.099 -43.205 -7.270 1.000 2 B 33.243 1 ATOM 1783 O O . ASP 102 422 ? B -28.570 -43.692 -6.240 1.000 2 B 33.243 1 ATOM 1784 C CB . ASP 102 422 ? B -27.165 -45.130 -8.575 1.000 2 B 33.243 1 ATOM 1785 C CG . ASP 102 422 ? B -28.085 -44.981 -9.774 1.000 2 B 33.243 1 ATOM 1786 O OD1 . ASP 102 422 ? B -28.058 -43.922 -10.436 1.000 2 B 33.243 1 ATOM 1787 O OD2 . ASP 102 422 ? B -28.846 -45.931 -10.058 1.000 2 B 33.243 1 ATOM 1788 N N . ASN 103 423 ? B -28.465 -41.960 -7.641 1.000 2 B 39.459 1 ATOM 1789 C CA . ASN 103 423 ? B -29.721 -41.533 -8.249 1.000 2 B 39.459 1 ATOM 1790 C C . ASN 103 423 ? B -30.102 -40.121 -7.816 1.000 2 B 39.459 1 ATOM 1791 O O . ASN 103 423 ? B -30.095 -39.809 -6.623 1.000 2 B 39.459 1 ATOM 1792 C CB . ASN 103 423 ? B -30.844 -42.515 -7.907 1.000 2 B 39.459 1 ATOM 1793 C CG . ASN 103 423 ? B -30.449 -43.959 -8.143 1.000 2 B 39.459 1 ATOM 1794 O OD1 . ASN 103 423 ? B -29.333 -44.372 -7.817 1.000 2 B 39.459 1 ATOM 1795 N ND2 . ASN 103 423 ? B -31.363 -44.739 -8.710 1.000 2 B 39.459 1 ATOM 1796 N N . SER 104 424 ? B -30.122 -39.114 -8.771 1.000 2 B 37.999 1 ATOM 1797 C CA . SER 104 424 ? B -31.241 -38.504 -9.482 1.000 2 B 37.999 1 ATOM 1798 C C . SER 104 424 ? B -31.687 -37.212 -8.806 1.000 2 B 37.999 1 ATOM 1799 O O . SER 104 424 ? B -31.768 -37.144 -7.578 1.000 2 B 37.999 1 ATOM 1800 C CB . SER 104 424 ? B -32.418 -39.477 -9.568 1.000 2 B 37.999 1 ATOM 1801 O OG . SER 104 424 ? B -32.929 -39.762 -8.277 1.000 2 B 37.999 1 ATOM 1802 N N . ARG 105 425 ? B -31.505 -36.101 -9.505 1.000 2 B 44.596 1 ATOM 1803 C CA . ARG 105 425 ? B -32.431 -35.207 -10.192 1.000 2 B 44.596 1 ATOM 1804 C C . ARG 105 425 ? B -33.440 -34.610 -9.216 1.000 2 B 44.596 1 ATOM 1805 O O . ARG 105 425 ? B -34.260 -35.331 -8.645 1.000 2 B 44.596 1 ATOM 1806 C CB . ARG 105 425 ? B -33.162 -35.948 -11.314 1.000 2 B 44.596 1 ATOM 1807 C CG . ARG 105 425 ? B -32.312 -36.185 -12.551 1.000 2 B 44.596 1 ATOM 1808 C CD . ARG 105 425 ? B -33.094 -36.899 -13.645 1.000 2 B 44.596 1 ATOM 1809 N NE . ARG 105 425 ? B -32.284 -37.100 -14.843 1.000 2 B 44.596 1 ATOM 1810 C CZ . ARG 105 425 ? B -32.634 -37.864 -15.875 1.000 2 B 44.596 1 ATOM 1811 N NH1 . ARG 105 425 ? B -33.791 -38.515 -15.874 1.000 2 B 44.596 1 ATOM 1812 N NH2 . ARG 105 425 ? B -31.821 -37.977 -16.915 1.000 2 B 44.596 1 ATOM 1813 N N . ASP 106 426 ? B -33.182 -33.493 -8.607 1.000 2 B 47.568 1 ATOM 1814 C CA . ASP 106 426 ? B -34.252 -32.548 -8.304 1.000 2 B 47.568 1 ATOM 1815 C C . ASP 106 426 ? B -33.854 -31.125 -8.687 1.000 2 B 47.568 1 ATOM 1816 O O . ASP 106 426 ? B -32.774 -30.657 -8.320 1.000 2 B 47.568 1 ATOM 1817 C CB . ASP 106 426 ? B -34.618 -32.610 -6.819 1.000 2 B 47.568 1 ATOM 1818 C CG . ASP 106 426 ? B -35.928 -31.911 -6.501 1.000 2 B 47.568 1 ATOM 1819 O OD1 . ASP 106 426 ? B -36.931 -32.597 -6.210 1.000 2 B 47.568 1 ATOM 1820 O OD2 . ASP 106 426 ? B -35.958 -30.662 -6.545 1.000 2 B 47.568 1 ATOM 1821 N N . ASP 107 427 ? B -34.066 -30.629 -9.900 1.000 2 B 42.877 1 ATOM 1822 C CA . ASP 107 427 ? B -35.059 -29.707 -10.442 1.000 2 B 42.877 1 ATOM 1823 C C . ASP 107 427 ? B -35.747 -28.923 -9.326 1.000 2 B 42.877 1 ATOM 1824 O O . ASP 107 427 ? B -36.472 -29.499 -8.512 1.000 2 B 42.877 1 ATOM 1825 C CB . ASP 107 427 ? B -36.099 -30.464 -11.271 1.000 2 B 42.877 1 ATOM 1826 C CG . ASP 107 427 ? B -37.015 -29.543 -12.057 1.000 2 B 42.877 1 ATOM 1827 O OD1 . ASP 107 427 ? B -36.572 -28.451 -12.474 1.000 2 B 42.877 1 ATOM 1828 O OD2 . ASP 107 427 ? B -38.193 -29.911 -12.259 1.000 2 B 42.877 1 ATOM 1829 N N . SER 108 428 ? B -35.288 -27.737 -8.876 1.000 2 B 56.596 1 ATOM 1830 C CA . SER 108 428 ? B -36.185 -26.669 -8.446 1.000 2 B 56.596 1 ATOM 1831 C C . SER 108 428 ? B -35.760 -25.324 -9.025 1.000 2 B 56.596 1 ATOM 1832 O O . SER 108 428 ? B -34.593 -24.940 -8.925 1.000 2 B 56.596 1 ATOM 1833 C CB . SER 108 428 ? B -36.228 -26.586 -6.920 1.000 2 B 56.596 1 ATOM 1834 O OG . SER 108 428 ? B -36.752 -27.781 -6.366 1.000 2 B 56.596 1 ATOM 1835 N N . SER 109 429 ? B -36.226 -24.833 -10.201 1.000 2 B 44.449 1 ATOM 1836 C CA . SER 109 429 ? B -37.134 -23.824 -10.735 1.000 2 B 44.449 1 ATOM 1837 C C . SER 109 429 ? B -37.538 -22.818 -9.662 1.000 2 B 44.449 1 ATOM 1838 O O . SER 109 429 ? B -37.854 -23.201 -8.534 1.000 2 B 44.449 1 ATOM 1839 C CB . SER 109 429 ? B -38.382 -24.483 -11.323 1.000 2 B 44.449 1 ATOM 1840 O OG . SER 109 429 ? B -38.095 -25.076 -12.578 1.000 2 B 44.449 1 ATOM 1841 N N . SER 110 430 ? B -37.204 -21.483 -9.911 1.000 2 B 39.192 1 ATOM 1842 C CA . SER 110 430 ? B -37.945 -20.263 -10.216 1.000 2 B 39.192 1 ATOM 1843 C C . SER 110 430 ? B -38.260 -19.477 -8.948 1.000 2 B 39.192 1 ATOM 1844 O O . SER 110 430 ? B -38.652 -20.056 -7.933 1.000 2 B 39.192 1 ATOM 1845 C CB . SER 110 430 ? B -39.241 -20.593 -10.957 1.000 2 B 39.192 1 ATOM 1846 O OG . SER 110 430 ? B -39.011 -21.560 -11.967 1.000 2 B 39.192 1 ATOM 1847 N N . HIS 111 431 ? B -37.868 -18.125 -8.920 1.000 2 B 44.935 1 ATOM 1848 C CA . HIS 111 431 ? B -38.868 -17.113 -8.599 1.000 2 B 44.935 1 ATOM 1849 C C . HIS 111 431 ? B -38.217 -15.761 -8.329 1.000 2 B 44.935 1 ATOM 1850 O O . HIS 111 431 ? B -37.239 -15.676 -7.582 1.000 2 B 44.935 1 ATOM 1851 C CB . HIS 111 431 ? B -39.700 -17.546 -7.391 1.000 2 B 44.935 1 ATOM 1852 C CG . HIS 111 431 ? B -40.868 -18.412 -7.746 1.000 2 B 44.935 1 ATOM 1853 N ND1 . HIS 111 431 ? B -42.020 -17.911 -8.312 1.000 2 B 44.935 1 ATOM 1854 C CD2 . HIS 111 431 ? B -41.057 -19.746 -7.616 1.000 2 B 44.935 1 ATOM 1855 C CE1 . HIS 111 431 ? B -42.871 -18.903 -8.515 1.000 2 B 44.935 1 ATOM 1856 N NE2 . HIS 111 431 ? B -42.311 -20.027 -8.101 1.000 2 B 44.935 1 ATOM 1857 N N . SER 112 432 ? B -38.324 -14.705 -9.289 1.000 2 B 40.743 1 ATOM 1858 C CA . SER 112 432 ? B -39.164 -13.536 -9.528 1.000 2 B 40.743 1 ATOM 1859 C C . SER 112 432 ? B -38.668 -12.328 -8.739 1.000 2 B 40.743 1 ATOM 1860 O O . SER 112 432 ? B -38.398 -12.431 -7.541 1.000 2 B 40.743 1 ATOM 1861 C CB . SER 112 432 ? B -40.617 -13.835 -9.156 1.000 2 B 40.743 1 ATOM 1862 O OG . SER 112 432 ? B -41.155 -14.839 -10.000 1.000 2 B 40.743 1 ATOM 1863 N N . GLY 113 433 ? B -38.359 -11.118 -9.468 1.000 2 B 39.227 1 ATOM 1864 C CA . GLY 113 433 ? B -39.047 -9.867 -9.745 1.000 2 B 39.227 1 ATOM 1865 C C . GLY 113 433 ? B -38.956 -8.871 -8.604 1.000 2 B 39.227 1 ATOM 1866 O O . GLY 113 433 ? B -38.958 -9.257 -7.434 1.000 2 B 39.227 1 ATOM 1867 N N . SER 114 434 ? B -38.442 -7.546 -8.898 1.000 2 B 40.366 1 ATOM 1868 C CA . SER 114 434 ? B -39.150 -6.271 -8.860 1.000 2 B 40.366 1 ATOM 1869 C C . SER 114 434 ? B -38.204 -5.106 -9.132 1.000 2 B 40.366 1 ATOM 1870 O O . SER 114 434 ? B -37.110 -5.042 -8.567 1.000 2 B 40.366 1 ATOM 1871 C CB . SER 114 434 ? B -39.834 -6.077 -7.506 1.000 2 B 40.366 1 ATOM 1872 O OG . SER 114 434 ? B -40.362 -7.303 -7.029 1.000 2 B 40.366 1 ATOM 1873 N N . GLU 115 435 ? B -38.319 -4.320 -10.148 1.000 2 B 47.342 1 ATOM 1874 C CA . GLU 115 435 ? B -38.497 -3.015 -10.778 1.000 2 B 47.342 1 ATOM 1875 C C . GLU 115 435 ? B -39.174 -2.031 -9.828 1.000 2 B 47.342 1 ATOM 1876 O O . GLU 115 435 ? B -40.118 -2.392 -9.122 1.000 2 B 47.342 1 ATOM 1877 C CB . GLU 115 435 ? B -39.312 -3.147 -12.068 1.000 2 B 47.342 1 ATOM 1878 C CG . GLU 115 435 ? B -40.647 -3.852 -11.882 1.000 2 B 47.342 1 ATOM 1879 C CD . GLU 115 435 ? B -41.377 -4.109 -13.191 1.000 2 B 47.342 1 ATOM 1880 O OE1 . GLU 115 435 ? B -41.452 -5.282 -13.623 1.000 2 B 47.342 1 ATOM 1881 O OE2 . GLU 115 435 ? B -41.877 -3.131 -13.789 1.000 2 B 47.342 1 ATOM 1882 N N . SER 116 436 ? B -38.461 -0.946 -9.494 1.000 2 B 53.016 1 ATOM 1883 C CA . SER 116 436 ? B -39.067 0.327 -9.116 1.000 2 B 53.016 1 ATOM 1884 C C . SER 116 436 ? B -38.348 1.499 -9.774 1.000 2 B 53.016 1 ATOM 1885 O O . SER 116 436 ? B -37.116 1.536 -9.813 1.000 2 B 53.016 1 ATOM 1886 C CB . SER 116 436 ? B -39.054 0.497 -7.597 1.000 2 B 53.016 1 ATOM 1887 O OG . SER 116 436 ? B -39.791 -0.537 -6.968 1.000 2 B 53.016 1 ATOM 1888 N N . SER 117 437 ? B -38.918 2.286 -10.768 1.000 2 B 42.328 1 ATOM 1889 C CA . SER 117 437 ? B -39.278 3.538 -11.427 1.000 2 B 42.328 1 ATOM 1890 C C . SER 117 437 ? B -39.814 4.555 -10.426 1.000 2 B 42.328 1 ATOM 1891 O O . SER 117 437 ? B -40.525 4.194 -9.486 1.000 2 B 42.328 1 ATOM 1892 C CB . SER 117 437 ? B -40.319 3.288 -12.519 1.000 2 B 42.328 1 ATOM 1893 O OG . SER 117 437 ? B -39.817 2.394 -13.498 1.000 2 B 42.328 1 ATOM 1894 N N . SER 118 438 ? B -39.336 5.853 -10.527 1.000 2 B 47.517 1 ATOM 1895 C CA . SER 118 438 ? B -40.158 7.058 -10.566 1.000 2 B 47.517 1 ATOM 1896 C C . SER 118 438 ? B -39.299 8.316 -10.487 1.000 2 B 47.517 1 ATOM 1897 O O . SER 118 438 ? B -38.420 8.421 -9.629 1.000 2 B 47.517 1 ATOM 1898 C CB . SER 118 438 ? B -41.174 7.052 -9.423 1.000 2 B 47.517 1 ATOM 1899 O OG . SER 118 438 ? B -42.203 6.109 -9.670 1.000 2 B 47.517 1 ATOM 1900 N N . GLY 119 439 ? B -39.183 9.257 -11.504 1.000 2 B 38.877 1 ATOM 1901 C CA . GLY 119 439 ? B -39.546 10.500 -12.166 1.000 2 B 38.877 1 ATOM 1902 C C . GLY 119 439 ? B -39.936 11.600 -11.197 1.000 2 B 38.877 1 ATOM 1903 O O . GLY 119 439 ? B -40.604 11.343 -10.194 1.000 2 B 38.877 1 ATOM 1904 N N . SER 120 440 ? B -39.192 12.802 -11.300 1.000 2 B 42.437 1 ATOM 1905 C CA . SER 120 440 ? B -39.859 14.099 -11.278 1.000 2 B 42.437 1 ATOM 1906 C C . SER 120 440 ? B -38.893 15.224 -11.634 1.000 2 B 42.437 1 ATOM 1907 O O . SER 120 440 ? B -37.768 15.266 -11.131 1.000 2 B 42.437 1 ATOM 1908 C CB . SER 120 440 ? B -40.476 14.362 -9.903 1.000 2 B 42.437 1 ATOM 1909 O OG . SER 120 440 ? B -41.426 13.361 -9.579 1.000 2 B 42.437 1 ATOM 1910 N N . ASP 121 441 ? B -39.140 16.056 -12.631 1.000 2 B 53.910 1 ATOM 1911 C CA . ASP 121 441 ? B -39.110 17.283 -13.422 1.000 2 B 53.910 1 ATOM 1912 C C . ASP 121 441 ? B -39.859 18.411 -12.715 1.000 2 B 53.910 1 ATOM 1913 O O . ASP 121 441 ? B -40.968 18.210 -12.217 1.000 2 B 53.910 1 ATOM 1914 C CB . ASP 121 441 ? B -39.710 17.042 -14.809 1.000 2 B 53.910 1 ATOM 1915 C CG . ASP 121 441 ? B -38.757 17.396 -15.937 1.000 2 B 53.910 1 ATOM 1916 O OD1 . ASP 121 441 ? B -38.061 18.431 -15.845 1.000 2 B 53.910 1 ATOM 1917 O OD2 . ASP 121 441 ? B -38.703 16.636 -16.928 1.000 2 B 53.910 1 ATOM 1918 N N . SER 122 442 ? B -39.172 19.483 -12.377 1.000 2 B 45.470 1 ATOM 1919 C CA . SER 122 442 ? B -39.787 20.805 -12.331 1.000 2 B 45.470 1 ATOM 1920 C C . SER 122 442 ? B -38.750 21.905 -12.535 1.000 2 B 45.470 1 ATOM 1921 O O . SER 122 442 ? B -37.670 21.864 -11.942 1.000 2 B 45.470 1 ATOM 1922 C CB . SER 122 442 ? B -40.510 21.015 -11.000 1.000 2 B 45.470 1 ATOM 1923 O OG . SER 122 442 ? B -41.593 20.111 -10.868 1.000 2 B 45.470 1 ATOM 1924 N N . GLU 123 443 ? B -38.954 22.816 -13.446 1.000 2 B 39.790 1 ATOM 1925 C CA . GLU 123 443 ? B -38.956 24.108 -14.126 1.000 2 B 39.790 1 ATOM 1926 C C . GLU 123 443 ? B -39.574 25.192 -13.249 1.000 2 B 39.790 1 ATOM 1927 O O . GLU 123 443 ? B -40.610 24.973 -12.619 1.000 2 B 39.790 1 ATOM 1928 C CB . GLU 123 443 ? B -39.709 24.015 -15.456 1.000 2 B 39.790 1 ATOM 1929 C CG . GLU 123 443 ? B -39.217 22.897 -16.364 1.000 2 B 39.790 1 ATOM 1930 C CD . GLU 123 443 ? B -38.855 23.375 -17.761 1.000 2 B 39.790 1 ATOM 1931 O OE1 . GLU 123 443 ? B -37.648 23.529 -18.057 1.000 2 B 39.790 1 ATOM 1932 O OE2 . GLU 123 443 ? B -39.786 23.598 -18.567 1.000 2 B 39.790 1 ATOM 1933 N N . SER 124 444 ? B -38.920 26.515 -13.234 1.000 2 B 38.612 1 ATOM 1934 C CA . SER 124 444 ? B -39.327 27.903 -13.426 1.000 2 B 38.612 1 ATOM 1935 C C . SER 124 444 ? B -38.204 28.865 -13.051 1.000 2 B 38.612 1 ATOM 1936 O O . SER 124 444 ? B -37.503 28.653 -12.059 1.000 2 B 38.612 1 ATOM 1937 C CB . SER 124 444 ? B -40.575 28.215 -12.599 1.000 2 B 38.612 1 ATOM 1938 O OG . SER 124 444 ? B -41.657 27.388 -12.991 1.000 2 B 38.612 1 ATOM 1939 N N . GLU 125 445 ? B -37.948 30.029 -13.807 1.000 2 B 31.684 1 ATOM 1940 C CA . GLU 125 445 ? B -37.763 31.377 -14.335 1.000 2 B 31.684 1 ATOM 1941 C C . GLU 125 445 ? B -38.054 32.431 -13.270 1.000 2 B 31.684 1 ATOM 1942 O O . GLU 125 445 ? B -38.985 32.279 -12.477 1.000 2 B 31.684 1 ATOM 1943 C CB . GLU 125 445 ? B -38.655 31.604 -15.557 1.000 2 B 31.684 1 ATOM 1944 C CG . GLU 125 445 ? B -39.825 30.635 -15.653 1.000 2 B 31.684 1 ATOM 1945 C CD . GLU 125 445 ? B -40.295 30.401 -17.080 1.000 2 B 31.684 1 ATOM 1946 O OE1 . GLU 125 445 ? B -39.989 29.330 -17.652 1.000 2 B 31.684 1 ATOM 1947 O OE2 . GLU 125 445 ? B -40.973 31.296 -17.631 1.000 2 B 31.684 1 ATOM 1948 N N . SER 126 446 ? B -37.209 33.636 -13.271 1.000 2 B 33.798 1 ATOM 1949 C CA . SER 126 446 ? B -37.265 35.090 -13.371 1.000 2 B 33.798 1 ATOM 1950 C C . SER 126 446 ? B -36.011 35.734 -12.790 1.000 2 B 33.798 1 ATOM 1951 O O . SER 126 446 ? B -35.496 35.286 -11.763 1.000 2 B 33.798 1 ATOM 1952 C CB . SER 126 446 ? B -38.504 35.630 -12.655 1.000 2 B 33.798 1 ATOM 1953 O OG . SER 126 446 ? B -39.686 35.083 -13.213 1.000 2 B 33.798 1 ATOM 1954 N N . SER 127 447 ? B -35.384 36.756 -13.478 1.000 2 B 35.725 1 ATOM 1955 C CA . SER 127 447 ? B -34.977 38.100 -13.872 1.000 2 B 35.725 1 ATOM 1956 C C . SER 127 447 ? B -34.423 38.880 -12.684 1.000 2 B 35.725 1 ATOM 1957 O O . SER 127 447 ? B -34.980 38.828 -11.586 1.000 2 B 35.725 1 ATOM 1958 C CB . SER 127 447 ? B -36.154 38.859 -14.486 1.000 2 B 35.725 1 ATOM 1959 O OG . SER 127 447 ? B -36.387 38.434 -15.818 1.000 2 B 35.725 1 ATOM 1960 N N . SER 128 448 ? B -33.261 39.598 -12.798 1.000 2 B 36.553 1 ATOM 1961 C CA . SER 128 448 ? B -32.624 40.897 -12.990 1.000 2 B 36.553 1 ATOM 1962 C C . SER 128 448 ? B -32.534 41.667 -11.677 1.000 2 B 36.553 1 ATOM 1963 O O . SER 128 448 ? B -33.513 41.754 -10.933 1.000 2 B 36.553 1 ATOM 1964 C CB . SER 128 448 ? B -33.390 41.723 -14.023 1.000 2 B 36.553 1 ATOM 1965 O OG . SER 128 448 ? B -32.508 42.557 -14.755 1.000 2 B 36.553 1 ATOM 1966 N N . SER 129 449 ? B -31.397 42.333 -11.372 1.000 2 B 44.692 1 ATOM 1967 C CA . SER 129 449 ? B -30.910 43.707 -11.311 1.000 2 B 44.692 1 ATOM 1968 C C . SER 129 449 ? B -29.747 43.838 -10.333 1.000 2 B 44.692 1 ATOM 1969 O O . SER 129 449 ? B -29.820 43.349 -9.204 1.000 2 B 44.692 1 ATOM 1970 C CB . SER 129 449 ? B -32.037 44.658 -10.906 1.000 2 B 44.692 1 ATOM 1971 O OG . SER 129 449 ? B -32.371 45.527 -11.975 1.000 2 B 44.692 1 ATOM 1972 N N . ASP 130 450 ? B -28.555 44.384 -10.718 1.000 2 B 36.295 1 ATOM 1973 C CA . ASP 130 450 ? B -27.550 45.440 -10.802 1.000 2 B 36.295 1 ATOM 1974 C C . ASP 130 450 ? B -27.421 46.182 -9.475 1.000 2 B 36.295 1 ATOM 1975 O O . ASP 130 450 ? B -28.416 46.658 -8.924 1.000 2 B 36.295 1 ATOM 1976 C CB . ASP 130 450 ? B -27.897 46.422 -11.923 1.000 2 B 36.295 1 ATOM 1977 C CG . ASP 130 450 ? B -26.739 47.333 -12.292 1.000 2 B 36.295 1 ATOM 1978 O OD1 . ASP 130 450 ? B -25.660 46.826 -12.668 1.000 2 B 36.295 1 ATOM 1979 O OD2 . ASP 130 450 ? B -26.906 48.568 -12.204 1.000 2 B 36.295 1 ATOM 1980 N N . SER 131 451 ? B -26.313 46.087 -8.712 1.000 2 B 45.339 1 ATOM 1981 C CA . SER 131 451 ? B -25.688 47.201 -8.006 1.000 2 B 45.339 1 ATOM 1982 C C . SER 131 451 ? B -24.177 47.016 -7.909 1.000 2 B 45.339 1 ATOM 1983 O O . SER 131 451 ? B -23.698 45.920 -7.612 1.000 2 B 45.339 1 ATOM 1984 C CB . SER 131 451 ? B -26.283 47.348 -6.605 1.000 2 B 45.339 1 ATOM 1985 O OG . SER 131 451 ? B -27.666 47.650 -6.674 1.000 2 B 45.339 1 ATOM 1986 N N . GLU 132 452 ? B -23.342 47.806 -8.627 1.000 2 B 37.114 1 ATOM 1987 C CA . GLU 132 452 ? B -22.271 48.799 -8.632 1.000 2 B 37.114 1 ATOM 1988 C C . GLU 132 452 ? B -21.912 49.229 -7.212 1.000 2 B 37.114 1 ATOM 1989 O O . GLU 132 452 ? B -22.795 49.518 -6.403 1.000 2 B 37.114 1 ATOM 1990 C CB . GLU 132 452 ? B -22.673 50.019 -9.465 1.000 2 B 37.114 1 ATOM 1991 C CG . GLU 132 452 ? B -22.432 49.850 -10.958 1.000 2 B 37.114 1 ATOM 1992 C CD . GLU 132 452 ? B -22.133 51.160 -11.669 1.000 2 B 37.114 1 ATOM 1993 O OE1 . GLU 132 452 ? B -20.943 51.455 -11.923 1.000 2 B 37.114 1 ATOM 1994 O OE2 . GLU 132 452 ? B -23.096 51.898 -11.975 1.000 2 B 37.114 1 ATOM 1995 N N . ALA 133 453 ? B -20.703 49.046 -6.682 1.000 2 B 35.975 1 ATOM 1996 C CA . ALA 133 453 ? B -19.679 49.927 -6.126 1.000 2 B 35.975 1 ATOM 1997 C C . ALA 133 453 ? B -19.358 49.553 -4.681 1.000 2 B 35.975 1 ATOM 1998 O O . ALA 133 453 ? B -20.262 49.419 -3.853 1.000 2 B 35.975 1 ATOM 1999 C CB . ALA 133 453 ? B -20.129 51.384 -6.208 1.000 2 B 35.975 1 ATOM 2000 N N . ASN 134 454 ? B -18.135 48.957 -4.414 1.000 2 B 38.129 1 ATOM 2001 C CA . ASN 134 454 ? B -17.076 49.411 -3.519 1.000 2 B 38.129 1 ATOM 2002 C C . ASN 134 454 ? B -16.222 48.247 -3.025 1.000 2 B 38.129 1 ATOM 2003 O O . ASN 134 454 ? B -16.753 47.232 -2.569 1.000 2 B 38.129 1 ATOM 2004 C CB . ASN 134 454 ? B -17.666 50.178 -2.334 1.000 2 B 38.129 1 ATOM 2005 C CG . ASN 134 454 ? B -16.654 51.085 -1.663 1.000 2 B 38.129 1 ATOM 2006 O OD1 . ASN 134 454 ? B -15.459 51.035 -1.967 1.000 2 B 38.129 1 ATOM 2007 N ND2 . ASN 134 454 ? B -17.124 51.923 -0.746 1.000 2 B 38.129 1 ATOM 2008 N N . GLU 135 455 ? B -15.117 47.856 -3.666 1.000 2 B 33.641 1 ATOM 2009 C CA . GLU 135 455 ? B -13.778 47.482 -3.221 1.000 2 B 33.641 1 ATOM 2010 C C . GLU 135 455 ? B -13.484 48.037 -1.830 1.000 2 B 33.641 1 ATOM 2011 O O . GLU 135 455 ? B -13.592 49.243 -1.602 1.000 2 B 33.641 1 ATOM 2012 C CB . GLU 135 455 ? B -12.723 47.971 -4.216 1.000 2 B 33.641 1 ATOM 2013 C CG . GLU 135 455 ? B -11.390 47.244 -4.108 1.000 2 B 33.641 1 ATOM 2014 C CD . GLU 135 455 ? B -10.300 47.858 -4.972 1.000 2 B 33.641 1 ATOM 2015 O OE1 . GLU 135 455 ? B -9.354 48.461 -4.417 1.000 2 B 33.641 1 ATOM 2016 O OE2 . GLU 135 455 ? B -10.394 47.736 -6.214 1.000 2 B 33.641 1 ATOM 2017 N N . PRO 136 456 ? B -13.060 47.136 -0.845 1.000 2 B 36.180 1 ATOM 2018 C CA . PRO 136 456 ? B -11.689 46.929 -0.374 1.000 2 B 36.180 1 ATOM 2019 C C . PRO 136 456 ? B -11.294 45.455 -0.336 1.000 2 B 36.180 1 ATOM 2020 O O . PRO 136 456 ? B -12.163 44.580 -0.304 1.000 2 B 36.180 1 ATOM 2021 C CB . PRO 136 456 ? B -11.708 47.526 1.036 1.000 2 B 36.180 1 ATOM 2022 C CG . PRO 136 456 ? B -13.076 47.229 1.559 1.000 2 B 36.180 1 ATOM 2023 C CD . PRO 136 456 ? B -13.885 46.612 0.454 1.000 2 B 36.180 1 ATOM 2024 N N . SER 137 457 ? B -10.337 44.950 -1.159 1.000 2 B 32.444 1 ATOM 2025 C CA . SER 137 457 ? B -9.089 44.204 -1.035 1.000 2 B 32.444 1 ATOM 2026 C C . SER 137 457 ? B -8.897 43.680 0.384 1.000 2 B 32.444 1 ATOM 2027 O O . SER 137 457 ? B -9.065 44.422 1.354 1.000 2 B 32.444 1 ATOM 2028 C CB . SER 137 457 ? B -7.899 45.080 -1.429 1.000 2 B 32.444 1 ATOM 2029 O OG . SER 137 457 ? B -8.004 45.493 -2.780 1.000 2 B 32.444 1 ATOM 2030 N N . GLN 138 458 ? B -9.358 42.518 0.766 1.000 2 B 33.549 1 ATOM 2031 C CA . GLN 138 458 ? B -8.624 41.722 1.743 1.000 2 B 33.549 1 ATOM 2032 C C . GLN 138 458 ? B -9.509 40.632 2.342 1.000 2 B 33.549 1 ATOM 2033 O O . GLN 138 458 ? B -10.642 40.899 2.747 1.000 2 B 33.549 1 ATOM 2034 C CB . GLN 138 458 ? B -8.066 42.613 2.853 1.000 2 B 33.549 1 ATOM 2035 C CG . GLN 138 458 ? B -6.751 43.292 2.494 1.000 2 B 33.549 1 ATOM 2036 C CD . GLN 138 458 ? B -5.931 43.667 3.715 1.000 2 B 33.549 1 ATOM 2037 O OE1 . GLN 138 458 ? B -5.969 42.979 4.740 1.000 2 B 33.549 1 ATOM 2038 N NE2 . GLN 138 458 ? B -5.186 44.762 3.615 1.000 2 B 33.549 1 ATOM 2039 N N . SER 139 459 ? B -9.506 39.443 1.816 1.000 2 B 31.718 1 ATOM 2040 C CA . SER 139 459 ? B -9.098 38.133 2.312 1.000 2 B 31.718 1 ATOM 2041 C C . SER 139 459 ? B -10.309 37.262 2.633 1.000 2 B 31.718 1 ATOM 2042 O O . SER 139 459 ? B -11.112 37.603 3.504 1.000 2 B 31.718 1 ATOM 2043 C CB . SER 139 459 ? B -8.221 38.279 3.555 1.000 2 B 31.718 1 ATOM 2044 O OG . SER 139 459 ? B -7.034 38.993 3.253 1.000 2 B 31.718 1 ATOM 2045 N N . ALA 140 460 ? B -11.157 36.704 1.660 1.000 2 B 36.663 1 ATOM 2046 C CA . ALA 140 460 ? B -12.198 35.746 2.024 1.000 2 B 36.663 1 ATOM 2047 C C . ALA 140 460 ? B -12.473 34.773 0.881 1.000 2 B 36.663 1 ATOM 2048 O O . ALA 140 460 ? B -12.968 35.172 -0.176 1.000 2 B 36.663 1 ATOM 2049 C CB . ALA 140 460 ? B -13.479 36.475 2.418 1.000 2 B 36.663 1 ATOM 2050 N N . SER 141 461 ? B -11.717 33.728 0.769 1.000 2 B 39.052 1 ATOM 2051 C CA . SER 141 461 ? B -12.459 32.503 0.491 1.000 2 B 39.052 1 ATOM 2052 C C . SER 141 461 ? B -11.612 31.267 0.772 1.000 2 B 39.052 1 ATOM 2053 O O . SER 141 461 ? B -10.510 31.128 0.237 1.000 2 B 39.052 1 ATOM 2054 C CB . SER 141 461 ? B -12.938 32.483 -0.961 1.000 2 B 39.052 1 ATOM 2055 O OG . SER 141 461 ? B -13.764 31.357 -1.204 1.000 2 B 39.052 1 ATOM 2056 N N . PRO 142 462 ? B -11.558 30.674 2.020 1.000 2 B 41.991 1 ATOM 2057 C CA . PRO 142 462 ? B -10.812 29.432 2.232 1.000 2 B 41.991 1 ATOM 2058 C C . PRO 142 462 ? B -11.189 28.338 1.235 1.000 2 B 41.991 1 ATOM 2059 O O . PRO 142 462 ? B -12.367 28.182 0.902 1.000 2 B 41.991 1 ATOM 2060 C CB . PRO 142 462 ? B -11.197 29.028 3.658 1.000 2 B 41.991 1 ATOM 2061 C CG . PRO 142 462 ? B -12.468 29.765 3.933 1.000 2 B 41.991 1 ATOM 2062 C CD . PRO 142 462 ? B -12.776 30.641 2.753 1.000 2 B 41.991 1 ATOM 2063 N N . GLU 143 463 ? B -10.859 28.399 0.025 1.000 2 B 46.464 1 ATOM 2064 C CA . GLU 143 463 ? B -10.504 27.284 -0.848 1.000 2 B 46.464 1 ATOM 2065 C C . GLU 143 463 ? B -10.904 25.948 -0.228 1.000 2 B 46.464 1 ATOM 2066 O O . GLU 143 463 ? B -10.621 25.693 0.945 1.000 2 B 46.464 1 ATOM 2067 C CB . GLU 143 463 ? B -9.004 27.295 -1.151 1.000 2 B 46.464 1 ATOM 2068 C CG . GLU 143 463 ? B -8.562 26.199 -2.110 1.000 2 B 46.464 1 ATOM 2069 C CD . GLU 143 463 ? B -7.232 26.493 -2.786 1.000 2 B 46.464 1 ATOM 2070 O OE1 . GLU 143 463 ? B -6.443 25.547 -3.011 1.000 2 B 46.464 1 ATOM 2071 O OE2 . GLU 143 463 ? B -6.977 27.679 -3.092 1.000 2 B 46.464 1 ATOM 2072 N N . PRO 144 464 ? B -12.066 25.369 -0.645 1.000 2 B 46.323 1 ATOM 2073 C CA . PRO 144 464 ? B -12.550 24.030 -0.301 1.000 2 B 46.323 1 ATOM 2074 C C . PRO 144 464 ? B -11.422 23.074 0.077 1.000 2 B 46.323 1 ATOM 2075 O O . PRO 144 464 ? B -10.362 23.082 -0.555 1.000 2 B 46.323 1 ATOM 2076 C CB . PRO 144 464 ? B -13.250 23.569 -1.582 1.000 2 B 46.323 1 ATOM 2077 C CG . PRO 144 464 ? B -12.770 24.510 -2.640 1.000 2 B 46.323 1 ATOM 2078 C CD . PRO 144 464 ? B -12.036 25.639 -1.976 1.000 2 B 46.323 1 ATOM 2079 N N . GLU 145 465 ? B -10.943 23.220 1.228 1.000 2 B 47.589 1 ATOM 2080 C CA . GLU 145 465 ? B -10.017 22.243 1.792 1.000 2 B 47.589 1 ATOM 2081 C C . GLU 145 465 ? B -10.007 20.955 0.974 1.000 2 B 47.589 1 ATOM 2082 O O . GLU 145 465 ? B -11.065 20.415 0.644 1.000 2 B 47.589 1 ATOM 2083 C CB . GLU 145 465 ? B -10.378 21.938 3.248 1.000 2 B 47.589 1 ATOM 2084 C CG . GLU 145 465 ? B -9.425 22.557 4.261 1.000 2 B 47.589 1 ATOM 2085 C CD . GLU 145 465 ? B -9.340 21.775 5.561 1.000 2 B 47.589 1 ATOM 2086 O OE1 . GLU 145 465 ? B -8.300 21.859 6.254 1.000 2 B 47.589 1 ATOM 2087 O OE2 . GLU 145 465 ? B -10.320 21.070 5.890 1.000 2 B 47.589 1 ATOM 2088 N N . PRO 146 466 ? B -9.049 20.753 -0.010 1.000 2 B 42.591 1 ATOM 2089 C CA . PRO 146 466 ? B -8.897 19.523 -0.791 1.000 2 B 42.591 1 ATOM 2090 C C . PRO 146 466 ? B -9.241 18.269 0.010 1.000 2 B 42.591 1 ATOM 2091 O O . PRO 146 466 ? B -9.147 18.273 1.240 1.000 2 B 42.591 1 ATOM 2092 C CB . PRO 146 466 ? B -7.416 19.533 -1.179 1.000 2 B 42.591 1 ATOM 2093 C CG . PRO 146 466 ? B -6.763 20.427 -0.174 1.000 2 B 42.591 1 ATOM 2094 C CD . PRO 146 466 ? B -7.815 21.314 0.429 1.000 2 B 42.591 1 ATOM 2095 N N . PRO 147 467 ? B -10.241 17.494 -0.476 1.000 2 B 42.938 1 ATOM 2096 C CA . PRO 147 467 ? B -10.562 16.209 0.151 1.000 2 B 42.938 1 ATOM 2097 C C . PRO 147 467 ? B -9.351 15.558 0.816 1.000 2 B 42.938 1 ATOM 2098 O O . PRO 147 467 ? B -8.215 15.778 0.388 1.000 2 B 42.938 1 ATOM 2099 C CB . PRO 147 467 ? B -11.064 15.361 -1.020 1.000 2 B 42.938 1 ATOM 2100 C CG . PRO 147 467 ? B -10.490 16.011 -2.237 1.000 2 B 42.938 1 ATOM 2101 C CD . PRO 147 467 ? B -10.177 17.443 -1.909 1.000 2 B 42.938 1 ATOM 2102 N N . PRO 148 468 ? B -9.335 15.476 2.131 1.000 2 B 48.582 1 ATOM 2103 C CA . PRO 148 468 ? B -8.179 14.818 2.746 1.000 2 B 48.582 1 ATOM 2104 C C . PRO 148 468 ? B -7.457 13.876 1.785 1.000 2 B 48.582 1 ATOM 2105 O O . PRO 148 468 ? B -8.101 13.099 1.075 1.000 2 B 48.582 1 ATOM 2106 C CB . PRO 148 468 ? B -8.795 14.041 3.912 1.000 2 B 48.582 1 ATOM 2107 C CG . PRO 148 468 ? B -10.242 13.911 3.563 1.000 2 B 48.582 1 ATOM 2108 C CD . PRO 148 468 ? B -10.596 14.994 2.585 1.000 2 B 48.582 1 ATOM 2109 N N . THR 149 469 ? B -6.794 14.380 0.817 1.000 2 B 49.559 1 ATOM 2110 C CA . THR 149 469 ? B -5.873 13.722 -0.103 1.000 2 B 49.559 1 ATOM 2111 C C . THR 149 469 ? B -5.228 12.506 0.555 1.000 2 B 49.559 1 ATOM 2112 O O . THR 149 469 ? B -4.759 11.597 -0.133 1.000 2 B 49.559 1 ATOM 2113 C CB . THR 149 469 ? B -4.777 14.691 -0.584 1.000 2 B 49.559 1 ATOM 2114 O OG1 . THR 149 469 ? B -5.338 16.001 -0.735 1.000 2 B 49.559 1 ATOM 2115 C CG2 . THR 149 469 ? B -4.194 14.242 -1.920 1.000 2 B 49.559 1 ATOM 2116 N N . ASN 150 470 ? B -5.668 12.284 1.893 1.000 2 B 53.702 1 ATOM 2117 C CA . ASN 150 470 ? B -4.909 11.162 2.435 1.000 2 B 53.702 1 ATOM 2118 C C . ASN 150 470 ? B -5.802 9.953 2.693 1.000 2 B 53.702 1 ATOM 2119 O O . ASN 150 470 ? B -6.874 10.082 3.287 1.000 2 B 53.702 1 ATOM 2120 C CB . ASN 150 470 ? B -4.187 11.573 3.720 1.000 2 B 53.702 1 ATOM 2121 C CG . ASN 150 470 ? B -2.911 12.347 3.453 1.000 2 B 53.702 1 ATOM 2122 O OD1 . ASN 150 470 ? B -2.323 12.243 2.373 1.000 2 B 53.702 1 ATOM 2123 N ND2 . ASN 150 470 ? B -2.475 13.128 4.433 1.000 2 B 53.702 1 ATOM 2124 N N . LYS 151 471 ? B -5.954 9.057 1.584 1.000 2 B 52.492 1 ATOM 2125 C CA . LYS 151 471 ? B -6.731 7.821 1.569 1.000 2 B 52.492 1 ATOM 2126 C C . LYS 151 471 ? B -6.862 7.238 2.973 1.000 2 B 52.492 1 ATOM 2127 O O . LYS 151 471 ? B -7.887 6.643 3.311 1.000 2 B 52.492 1 ATOM 2128 C CB . LYS 151 471 ? B -6.090 6.795 0.633 1.000 2 B 52.492 1 ATOM 2129 C CG . LYS 151 471 ? B -6.026 7.239 -0.821 1.000 2 B 52.492 1 ATOM 2130 C CD . LYS 151 471 ? B -5.504 6.127 -1.722 1.000 2 B 52.492 1 ATOM 2131 C CE . LYS 151 471 ? B -5.802 6.409 -3.188 1.000 2 B 52.492 1 ATOM 2132 N NZ . LYS 151 471 ? B -7.120 5.843 -3.604 1.000 2 B 52.492 1 ATOM 2133 N N . TRP 152 472 ? B -6.208 7.843 4.101 1.000 2 B 58.345 1 ATOM 2134 C CA . TRP 152 472 ? B -6.227 7.094 5.353 1.000 2 B 58.345 1 ATOM 2135 C C . TRP 152 472 ? B -6.501 8.017 6.535 1.000 2 B 58.345 1 ATOM 2136 O O . TRP 152 472 ? B -5.653 8.177 7.416 1.000 2 B 58.345 1 ATOM 2137 C CB . TRP 152 472 ? B -4.900 6.359 5.560 1.000 2 B 58.345 1 ATOM 2138 C CG . TRP 152 472 ? B -4.514 5.466 4.420 1.000 2 B 58.345 1 ATOM 2139 C CD1 . TRP 152 472 ? B -3.504 5.668 3.520 1.000 2 B 58.345 1 ATOM 2140 C CD2 . TRP 152 472 ? B -5.136 4.230 4.054 1.000 2 B 58.345 1 ATOM 2141 N NE1 . TRP 152 472 ? B -3.461 4.631 2.617 1.000 2 B 58.345 1 ATOM 2142 C CE2 . TRP 152 472 ? B -4.451 3.736 2.922 1.000 2 B 58.345 1 ATOM 2143 C CE3 . TRP 152 472 ? B -6.207 3.492 4.574 1.000 2 B 58.345 1 ATOM 2144 C CZ2 . TRP 152 472 ? B -4.803 2.536 2.301 1.000 2 B 58.345 1 ATOM 2145 C CZ3 . TRP 152 472 ? B -6.556 2.297 3.955 1.000 2 B 58.345 1 ATOM 2146 C CH2 . TRP 152 472 ? B -5.854 1.833 2.830 1.000 2 B 58.345 1 ATOM 2147 N N . GLN 153 473 ? B -7.467 9.055 6.583 1.000 2 B 63.428 1 ATOM 2148 C CA . GLN 153 473 ? B -7.983 10.108 7.451 1.000 2 B 63.428 1 ATOM 2149 C C . GLN 153 473 ? B -8.431 9.543 8.796 1.000 2 B 63.428 1 ATOM 2150 O O . GLN 153 473 ? B -9.190 10.187 9.524 1.000 2 B 63.428 1 ATOM 2151 C CB . GLN 153 473 ? B -9.143 10.841 6.776 1.000 2 B 63.428 1 ATOM 2152 C CG . GLN 153 473 ? B -8.703 11.881 5.755 1.000 2 B 63.428 1 ATOM 2153 C CD . GLN 153 473 ? B -9.843 12.770 5.294 1.000 2 B 63.428 1 ATOM 2154 O OE1 . GLN 153 473 ? B -10.789 12.306 4.651 1.000 2 B 63.428 1 ATOM 2155 N NE2 . GLN 153 473 ? B -9.759 14.056 5.619 1.000 2 B 63.428 1 ATOM 2156 N N . LEU 154 474 ? B -7.901 8.342 9.246 1.000 2 B 59.831 1 ATOM 2157 C CA . LEU 154 474 ? B -8.342 7.882 10.558 1.000 2 B 59.831 1 ATOM 2158 C C . LEU 154 474 ? B -8.061 8.933 11.626 1.000 2 B 59.831 1 ATOM 2159 O O . LEU 154 474 ? B -8.891 9.166 12.508 1.000 2 B 59.831 1 ATOM 2160 C CB . LEU 154 474 ? B -7.649 6.567 10.925 1.000 2 B 59.831 1 ATOM 2161 C CG . LEU 154 474 ? B -8.220 5.299 10.288 1.000 2 B 59.831 1 ATOM 2162 C CD1 . LEU 154 474 ? B -7.177 4.186 10.297 1.000 2 B 59.831 1 ATOM 2163 C CD2 . LEU 154 474 ? B -9.486 4.858 11.016 1.000 2 B 59.831 1 ATOM 2164 N N . ASP 155 475 ? B -6.918 9.634 11.373 1.000 2 B 60.997 1 ATOM 2165 C CA . ASP 155 475 ? B -6.528 10.642 12.353 1.000 2 B 60.997 1 ATOM 2166 C C . ASP 155 475 ? B -7.455 11.854 12.293 1.000 2 B 60.997 1 ATOM 2167 O O . ASP 155 475 ? B -7.784 12.443 13.325 1.000 2 B 60.997 1 ATOM 2168 C CB . ASP 155 475 ? B -5.079 11.078 12.128 1.000 2 B 60.997 1 ATOM 2169 C CG . ASP 155 475 ? B -4.072 10.008 12.512 1.000 2 B 60.997 1 ATOM 2170 O OD1 . ASP 155 475 ? B -4.252 9.348 13.559 1.000 2 B 60.997 1 ATOM 2171 O OD2 . ASP 155 475 ? B -3.088 9.824 11.763 1.000 2 B 60.997 1 ATOM 2172 N N . ASN 156 476 ? B -7.941 12.131 11.117 1.000 2 B 62.836 1 ATOM 2173 C CA . ASN 156 476 ? B -8.882 13.226 10.908 1.000 2 B 62.836 1 ATOM 2174 C C . ASN 156 476 ? B -10.260 12.896 11.474 1.000 2 B 62.836 1 ATOM 2175 O O . ASN 156 476 ? B -10.910 13.754 12.074 1.000 2 B 62.836 1 ATOM 2176 C CB . ASN 156 476 ? B -8.987 13.567 9.420 1.000 2 B 62.836 1 ATOM 2177 C CG . ASN 156 476 ? B -7.806 14.377 8.922 1.000 2 B 62.836 1 ATOM 2178 O OD1 . ASN 156 476 ? B -6.987 14.854 9.712 1.000 2 B 62.836 1 ATOM 2179 N ND2 . ASN 156 476 ? B -7.709 14.536 7.607 1.000 2 B 62.836 1 ATOM 2180 N N . TRP 157 477 ? B -10.630 11.693 11.443 1.000 2 B 60.592 1 ATOM 2181 C CA . TRP 157 477 ? B -11.918 11.277 11.988 1.000 2 B 60.592 1 ATOM 2182 C C . TRP 157 477 ? B -11.925 11.382 13.509 1.000 2 B 60.592 1 ATOM 2183 O O . TRP 157 477 ? B -12.892 11.869 14.100 1.000 2 B 60.592 1 ATOM 2184 C CB . TRP 157 477 ? B -12.245 9.843 11.562 1.000 2 B 60.592 1 ATOM 2185 C CG . TRP 157 477 ? B -13.604 9.376 11.989 1.000 2 B 60.592 1 ATOM 2186 C CD1 . TRP 157 477 ? B -14.796 10.013 11.784 1.000 2 B 60.592 1 ATOM 2187 C CD2 . TRP 157 477 ? B -13.909 8.171 12.698 1.000 2 B 60.592 1 ATOM 2188 N NE1 . TRP 157 477 ? B -15.825 9.276 12.323 1.000 2 B 60.592 1 ATOM 2189 C CE2 . TRP 157 477 ? B -15.308 8.142 12.890 1.000 2 B 60.592 1 ATOM 2190 C CE3 . TRP 157 477 ? B -13.134 7.112 13.190 1.000 2 B 60.592 1 ATOM 2191 C CZ2 . TRP 157 477 ? B -15.949 7.093 13.554 1.000 2 B 60.592 1 ATOM 2192 C CZ3 . TRP 157 477 ? B -13.774 6.069 13.850 1.000 2 B 60.592 1 ATOM 2193 C CH2 . TRP 157 477 ? B -15.168 6.070 14.025 1.000 2 B 60.592 1 ATOM 2194 N N . LEU 158 478 ? B -10.922 11.133 14.230 1.000 2 B 56.931 1 ATOM 2195 C CA . LEU 158 478 ? B -10.836 11.171 15.686 1.000 2 B 56.931 1 ATOM 2196 C C . LEU 158 478 ? B -10.731 12.607 16.187 1.000 2 B 56.931 1 ATOM 2197 O O . LEU 158 478 ? B -11.326 12.957 17.209 1.000 2 B 56.931 1 ATOM 2198 C CB . LEU 158 478 ? B -9.632 10.359 16.173 1.000 2 B 56.931 1 ATOM 2199 C CG . LEU 158 478 ? B -9.773 9.693 17.542 1.000 2 B 56.931 1 ATOM 2200 C CD1 . LEU 158 478 ? B -10.866 8.631 17.505 1.000 2 B 56.931 1 ATOM 2201 C CD2 . LEU 158 478 ? B -8.445 9.086 17.981 1.000 2 B 56.931 1 ATOM 2202 N N . ASN 159 479 ? B -9.896 13.347 15.385 1.000 2 B 64.930 1 ATOM 2203 C CA . ASN 159 479 ? B -9.842 14.760 15.745 1.000 2 B 64.930 1 ATOM 2204 C C . ASN 159 479 ? B -11.197 15.438 15.560 1.000 2 B 64.930 1 ATOM 2205 O O . ASN 159 479 ? B -11.540 16.362 16.299 1.000 2 B 64.930 1 ATOM 2206 C CB . ASN 159 479 ? B -8.771 15.482 14.926 1.000 2 B 64.930 1 ATOM 2207 C CG . ASN 159 479 ? B -7.363 15.132 15.368 1.000 2 B 64.930 1 ATOM 2208 O OD1 . ASN 159 479 ? B -7.147 14.684 16.496 1.000 2 B 64.930 1 ATOM 2209 N ND2 . ASN 159 479 ? B -6.396 15.334 14.481 1.000 2 B 64.930 1 ATOM 2210 N N . LYS 160 480 ? B -11.948 14.894 14.595 1.000 2 B 60.925 1 ATOM 2211 C CA . LYS 160 480 ? B -13.283 15.433 14.356 1.000 2 B 60.925 1 ATOM 2212 C C . LYS 160 480 ? B -14.265 14.963 15.425 1.000 2 B 60.925 1 ATOM 2213 O O . LYS 160 480 ? B -15.142 15.721 15.846 1.000 2 B 60.925 1 ATOM 2214 C CB . LYS 160 480 ? B -13.786 15.027 12.969 1.000 2 B 60.925 1 ATOM 2215 C CG . LYS 160 480 ? B -13.437 16.019 11.869 1.000 2 B 60.925 1 ATOM 2216 C CD . LYS 160 480 ? B -13.524 15.378 10.490 1.000 2 B 60.925 1 ATOM 2217 C CE . LYS 160 480 ? B -14.693 15.932 9.688 1.000 2 B 60.925 1 ATOM 2218 N NZ . LYS 160 480 ? B -15.256 14.913 8.753 1.000 2 B 60.925 1 ATOM 2219 N N . VAL 161 481 ? B -14.054 13.781 16.043 1.000 2 B 59.464 1 ATOM 2220 C CA . VAL 161 481 ? B -15.025 13.192 16.960 1.000 2 B 59.464 1 ATOM 2221 C C . VAL 161 481 ? B -14.543 13.358 18.399 1.000 2 B 59.464 1 ATOM 2222 O O . VAL 161 481 ? B -15.306 13.145 19.344 1.000 2 B 59.464 1 ATOM 2223 C CB . VAL 161 481 ? B -15.267 11.698 16.648 1.000 2 B 59.464 1 ATOM 2224 C CG1 . VAL 161 481 ? B -15.921 11.532 15.278 1.000 2 B 59.464 1 ATOM 2225 C CG2 . VAL 161 481 ? B -13.954 10.921 16.714 1.000 2 B 59.464 1 ATOM 2226 N N . ASN 162 482 ? B -13.256 13.673 18.594 1.000 2 B 50.782 1 ATOM 2227 C CA . ASN 162 482 ? B -12.788 13.917 19.954 1.000 2 B 50.782 1 ATOM 2228 C C . ASN 162 482 ? B -12.087 15.267 20.071 1.000 2 B 50.782 1 ATOM 2229 O O . ASN 162 482 ? B -10.859 15.329 20.151 1.000 2 B 50.782 1 ATOM 2230 C CB . ASN 162 482 ? B -11.855 12.793 20.411 1.000 2 B 50.782 1 ATOM 2231 C CG . ASN 162 482 ? B -12.455 11.952 21.521 1.000 2 B 50.782 1 ATOM 2232 O OD1 . ASN 162 482 ? B -13.128 12.471 22.415 1.000 2 B 50.782 1 ATOM 2233 N ND2 . ASN 162 482 ? B -12.215 10.647 21.471 1.000 2 B 50.782 1 ATOM 2234 N N . PRO 163 483 ? B -12.788 16.392 19.756 1.000 2 B 52.734 1 ATOM 2235 C CA . PRO 163 483 ? B -12.029 17.627 19.968 1.000 2 B 52.734 1 ATOM 2236 C C . PRO 163 483 ? B -11.558 17.790 21.411 1.000 2 B 52.734 1 ATOM 2237 O O . PRO 163 483 ? B -10.660 18.591 21.684 1.000 2 B 52.734 1 ATOM 2238 C CB . PRO 163 483 ? B -13.030 18.723 19.593 1.000 2 B 52.734 1 ATOM 2239 C CG . PRO 163 483 ? B -14.368 18.061 19.666 1.000 2 B 52.734 1 ATOM 2240 C CD . PRO 163 483 ? B -14.174 16.578 19.528 1.000 2 B 52.734 1 ATOM 2241 N N . HIS 164 484 ? B -11.916 16.859 22.312 1.000 2 B 48.691 1 ATOM 2242 C CA . HIS 164 484 ? B -11.741 17.157 23.729 1.000 2 B 48.691 1 ATOM 2243 C C . HIS 164 484 ? B -10.497 16.474 24.287 1.000 2 B 48.691 1 ATOM 2244 O O . HIS 164 484 ? B -10.130 16.690 25.444 1.000 2 B 48.691 1 ATOM 2245 C CB . HIS 164 484 ? B -12.976 16.728 24.523 1.000 2 B 48.691 1 ATOM 2246 C CG . HIS 164 484 ? B -14.149 17.639 24.346 1.000 2 B 48.691 1 ATOM 2247 N ND1 . HIS 164 484 ? B -14.075 18.998 24.558 1.000 2 B 48.691 1 ATOM 2248 C CD2 . HIS 164 484 ? B -15.425 17.382 23.972 1.000 2 B 48.691 1 ATOM 2249 C CE1 . HIS 164 484 ? B -15.259 19.540 24.324 1.000 2 B 48.691 1 ATOM 2250 N NE2 . HIS 164 484 ? B -16.095 18.580 23.966 1.000 2 B 48.691 1 ATOM 2251 N N . LYS 165 485 ? B -9.577 15.979 23.449 1.000 2 B 45.849 1 ATOM 2252 C CA . LYS 165 485 ? B -8.384 15.396 24.057 1.000 2 B 45.849 1 ATOM 2253 C C . LYS 165 485 ? B -7.126 16.143 23.625 1.000 2 B 45.849 1 ATOM 2254 O O . LYS 165 485 ? B -6.009 15.710 23.916 1.000 2 B 45.849 1 ATOM 2255 C CB . LYS 165 485 ? B -8.265 13.915 23.693 1.000 2 B 45.849 1 ATOM 2256 C CG . LYS 165 485 ? B -9.415 13.058 24.202 1.000 2 B 45.849 1 ATOM 2257 C CD . LYS 165 485 ? B -9.109 12.469 25.574 1.000 2 B 45.849 1 ATOM 2258 C CE . LYS 165 485 ? B -10.086 11.360 25.937 1.000 2 B 45.849 1 ATOM 2259 N NZ . LYS 165 485 ? B -10.210 11.194 27.417 1.000 2 B 45.849 1 ATOM 2260 N N . VAL 166 486 ? B -7.225 17.412 23.081 1.000 2 B 39.413 1 ATOM 2261 C CA . VAL 166 486 ? B -6.005 18.204 23.197 1.000 2 B 39.413 1 ATOM 2262 C C . VAL 166 486 ? B -6.188 19.282 24.262 1.000 2 B 39.413 1 ATOM 2263 O O . VAL 166 486 ? B -7.192 19.998 24.263 1.000 2 B 39.413 1 ATOM 2264 C CB . VAL 166 486 ? B -5.617 18.849 21.847 1.000 2 B 39.413 1 ATOM 2265 C CG1 . VAL 166 486 ? B -5.207 17.779 20.836 1.000 2 B 39.413 1 ATOM 2266 C CG2 . VAL 166 486 ? B -6.773 19.686 21.304 1.000 2 B 39.413 1 ATOM 2267 N N . SER 167 487 ? B -6.308 18.961 25.399 1.000 2 B 33.338 1 ATOM 2268 C CA . SER 167 487 ? B -5.950 19.834 26.513 1.000 2 B 33.338 1 ATOM 2269 C C . SER 167 487 ? B -5.224 21.083 26.025 1.000 2 B 33.338 1 ATOM 2270 O O . SER 167 487 ? B -4.182 20.987 25.372 1.000 2 B 33.338 1 ATOM 2271 C CB . SER 167 487 ? B -5.075 19.087 27.520 1.000 2 B 33.338 1 ATOM 2272 O OG . SER 167 487 ? B -5.830 18.106 28.211 1.000 2 B 33.338 1 ATOM 2273 N N . PRO 168 488 ? B -5.763 22.307 26.096 1.000 2 B 37.649 1 ATOM 2274 C CA . PRO 168 488 ? B -5.019 23.187 27.001 1.000 2 B 37.649 1 ATOM 2275 C C . PRO 168 488 ? B -5.775 23.478 28.295 1.000 2 B 37.649 1 ATOM 2276 O O . PRO 168 488 ? B -6.984 23.720 28.267 1.000 2 B 37.649 1 ATOM 2277 C CB . PRO 168 488 ? B -4.834 24.464 26.177 1.000 2 B 37.649 1 ATOM 2278 C CG . PRO 168 488 ? B -5.984 24.473 25.223 1.000 2 B 37.649 1 ATOM 2279 C CD . PRO 168 488 ? B -6.780 23.215 25.423 1.000 2 B 37.649 1 ATOM 2280 N N . ALA 169 489 ? B -6.069 22.590 29.203 1.000 2 B 32.658 1 ATOM 2281 C CA . ALA 169 489 ? B -6.074 22.994 30.606 1.000 2 B 32.658 1 ATOM 2282 C C . ALA 169 489 ? B -5.474 24.386 30.778 1.000 2 B 32.658 1 ATOM 2283 O O . ALA 169 489 ? B -4.272 24.580 30.582 1.000 2 B 32.658 1 ATOM 2284 C CB . ALA 169 489 ? B -5.310 21.980 31.455 1.000 2 B 32.658 1 ATOM 2285 N N . SER 170 490 ? B -6.095 25.473 30.380 1.000 2 B 33.736 1 ATOM 2286 C CA . SER 170 490 ? B -6.249 26.590 31.307 1.000 2 B 33.736 1 ATOM 2287 C C . SER 170 490 ? B -7.683 27.109 31.313 1.000 2 B 33.736 1 ATOM 2288 O O . SER 170 490 ? B -8.290 27.285 30.254 1.000 2 B 33.736 1 ATOM 2289 C CB . SER 170 490 ? B -5.289 27.724 30.945 1.000 2 B 33.736 1 ATOM 2290 O OG . SER 170 490 ? B -5.928 28.677 30.113 1.000 2 B 33.736 1 ATOM 2291 N N . SER 171 491 ? B -8.680 26.462 31.934 1.000 2 B 33.885 1 ATOM 2292 C CA . SER 171 491 ? B -9.555 26.920 33.008 1.000 2 B 33.885 1 ATOM 2293 C C . SER 171 491 ? B -9.847 28.411 32.887 1.000 2 B 33.885 1 ATOM 2294 O O . SER 171 491 ? B -8.931 29.215 32.702 1.000 2 B 33.885 1 ATOM 2295 C CB . SER 171 491 ? B -8.930 26.624 34.372 1.000 2 B 33.885 1 ATOM 2296 O OG . SER 171 491 ? B -9.884 26.047 35.248 1.000 2 B 33.885 1 ATOM 2297 N N . VAL 172 492 ? B -10.923 28.767 32.347 1.000 2 B 31.046 1 ATOM 2298 C CA . VAL 172 492 ? B -12.094 29.467 32.864 1.000 2 B 31.046 1 ATOM 2299 C C . VAL 172 492 ? B -11.655 30.564 33.832 1.000 2 B 31.046 1 ATOM 2300 O O . VAL 172 492 ? B -10.780 30.345 34.672 1.000 2 B 31.046 1 ATOM 2301 C CB . VAL 172 492 ? B -13.071 28.497 33.566 1.000 2 B 31.046 1 ATOM 2302 C CG1 . VAL 172 492 ? B -13.762 27.594 32.545 1.000 2 B 31.046 1 ATOM 2303 C CG2 . VAL 172 492 ? B -12.333 27.660 34.610 1.000 2 B 31.046 1 ATOM 2304 N N . ASP 173 493 ? B -11.534 31.863 33.456 1.000 2 B 31.927 1 ATOM 2305 C CA . ASP 173 493 ? B -12.125 33.110 33.930 1.000 2 B 31.927 1 ATOM 2306 C C . ASP 173 493 ? B -11.105 33.941 34.706 1.000 2 B 31.927 1 ATOM 2307 O O . ASP 173 493 ? B -10.426 33.426 35.597 1.000 2 B 31.927 1 ATOM 2308 C CB . ASP 173 493 ? B -13.347 32.827 34.805 1.000 2 B 31.927 1 ATOM 2309 C CG . ASP 173 493 ? B -14.274 34.023 34.934 1.000 2 B 31.927 1 ATOM 2310 O OD1 . ASP 173 493 ? B -14.871 34.444 33.920 1.000 2 B 31.927 1 ATOM 2311 O OD2 . ASP 173 493 ? B -14.407 34.550 36.060 1.000 2 B 31.927 1 ATOM 2312 N N . SER 174 494 ? B -10.375 34.888 34.189 1.000 2 B 31.863 1 ATOM 2313 C CA . SER 174 494 ? B -10.288 36.214 34.793 1.000 2 B 31.863 1 ATOM 2314 C C . SER 174 494 ? B -9.454 37.159 33.934 1.000 2 B 31.863 1 ATOM 2315 O O . SER 174 494 ? B -8.358 36.804 33.497 1.000 2 B 31.863 1 ATOM 2316 C CB . SER 174 494 ? B -9.690 36.126 36.197 1.000 2 B 31.863 1 ATOM 2317 O OG . SER 174 494 ? B -10.712 36.059 37.177 1.000 2 B 31.863 1 ATOM 2318 N N . ASN 175 495 ? B -10.041 37.898 33.005 1.000 2 B 31.389 1 ATOM 2319 C CA . ASN 175 495 ? B -9.999 39.343 32.811 1.000 2 B 31.389 1 ATOM 2320 C C . ASN 175 495 ? B -8.979 40.004 33.734 1.000 2 B 31.389 1 ATOM 2321 O O . ASN 175 495 ? B -9.169 40.040 34.951 1.000 2 B 31.389 1 ATOM 2322 C CB . ASN 175 495 ? B -11.385 39.954 33.028 1.000 2 B 31.389 1 ATOM 2323 C CG . ASN 175 495 ? B -12.262 39.866 31.795 1.000 2 B 31.389 1 ATOM 2324 O OD1 . ASN 175 495 ? B -11.765 39.746 30.672 1.000 2 B 31.389 1 ATOM 2325 N ND2 . ASN 175 495 ? B -13.574 39.925 31.994 1.000 2 B 31.389 1 ATOM 2326 N N . ILE 176 496 ? B -7.720 40.036 33.494 1.000 2 B 33.766 1 ATOM 2327 C CA . ILE 176 496 ? B -6.859 41.201 33.660 1.000 2 B 33.766 1 ATOM 2328 C C . ILE 176 496 ? B -5.715 41.145 32.649 1.000 2 B 33.766 1 ATOM 2329 O O . ILE 176 496 ? B -4.999 40.144 32.567 1.000 2 B 33.766 1 ATOM 2330 C CB . ILE 176 496 ? B -6.300 41.293 35.097 1.000 2 B 33.766 1 ATOM 2331 C CG1 . ILE 176 496 ? B -7.441 41.222 36.119 1.000 2 B 33.766 1 ATOM 2332 C CG2 . ILE 176 496 ? B -5.481 42.574 35.278 1.000 2 B 33.766 1 ATOM 2333 C CD1 . ILE 176 496 ? B -6.978 41.273 37.568 1.000 2 B 33.766 1 ATOM 2334 N N . PRO 177 497 ? B -5.598 42.165 31.755 1.000 2 B 40.346 1 ATOM 2335 C CA . PRO 177 497 ? B -4.530 42.346 30.770 1.000 2 B 40.346 1 ATOM 2336 C C . PRO 177 497 ? B -3.294 43.025 31.356 1.000 2 B 40.346 1 ATOM 2337 O O . PRO 177 497 ? B -3.417 43.897 32.220 1.000 2 B 40.346 1 ATOM 2338 C CB . PRO 177 497 ? B -5.181 43.227 29.701 1.000 2 B 40.346 1 ATOM 2339 C CG . PRO 177 497 ? B -6.299 43.922 30.408 1.000 2 B 40.346 1 ATOM 2340 C CD . PRO 177 497 ? B -6.387 43.383 31.807 1.000 2 B 40.346 1 ATOM 2341 N N . SER 178 498 ? B -2.173 42.410 31.614 1.000 2 B 34.868 1 ATOM 2342 C CA . SER 178 498 ? B -0.951 43.154 31.903 1.000 2 B 34.868 1 ATOM 2343 C C . SER 178 498 ? B 0.267 42.477 31.284 1.000 2 B 34.868 1 ATOM 2344 O O . SER 178 498 ? B 0.495 41.284 31.494 1.000 2 B 34.868 1 ATOM 2345 C CB . SER 178 498 ? B -0.754 43.295 33.413 1.000 2 B 34.868 1 ATOM 2346 O OG . SER 178 498 ? B 0.330 44.161 33.700 1.000 2 B 34.868 1 ATOM 2347 N N . SER 179 499 ? B 0.668 42.859 30.082 1.000 2 B 33.494 1 ATOM 2348 C CA . SER 179 499 ? B 1.857 43.561 29.611 1.000 2 B 33.494 1 ATOM 2349 C C . SER 179 499 ? B 2.978 43.505 30.644 1.000 2 B 33.494 1 ATOM 2350 O O . SER 179 499 ? B 2.743 43.718 31.835 1.000 2 B 33.494 1 ATOM 2351 C CB . SER 179 499 ? B 1.526 45.018 29.284 1.000 2 B 33.494 1 ATOM 2352 O OG . SER 179 499 ? B 0.595 45.095 28.219 1.000 2 B 33.494 1 ATOM 2353 N N . GLN 180 500 ? B 4.034 42.604 30.470 1.000 2 B 32.994 1 ATOM 2354 C CA . GLN 180 500 ? B 5.410 43.035 30.695 1.000 2 B 32.994 1 ATOM 2355 C C . GLN 180 500 ? B 6.201 41.975 31.457 1.000 2 B 32.994 1 ATOM 2356 O O . GLN 180 500 ? B 5.762 41.501 32.507 1.000 2 B 32.994 1 ATOM 2357 C CB . GLN 180 500 ? B 5.441 44.361 31.456 1.000 2 B 32.994 1 ATOM 2358 C CG . GLN 180 500 ? B 5.371 45.588 30.557 1.000 2 B 32.994 1 ATOM 2359 C CD . GLN 180 500 ? B 6.739 46.163 30.242 1.000 2 B 32.994 1 ATOM 2360 O OE1 . GLN 180 500 ? B 7.460 46.612 31.138 1.000 2 B 32.994 1 ATOM 2361 N NE2 . GLN 180 500 ? B 7.105 46.155 28.965 1.000 2 B 32.994 1 ATOM 2362 N N . GLY 181 501 ? B 7.135 41.233 30.850 1.000 2 B 34.811 1 ATOM 2363 C CA . GLY 181 501 ? B 8.467 41.216 31.432 1.000 2 B 34.811 1 ATOM 2364 C C . GLY 181 501 ? B 9.285 40.008 31.016 1.000 2 B 34.811 1 ATOM 2365 O O . GLY 181 501 ? B 8.795 38.877 31.052 1.000 2 B 34.811 1 ATOM 2366 N N . TYR 182 502 ? B 10.221 40.103 30.073 1.000 2 B 26.885 1 ATOM 2367 C CA . TYR 182 502 ? B 11.679 40.110 30.124 1.000 2 B 26.885 1 ATOM 2368 C C . TYR 182 502 ? B 12.194 39.106 31.148 1.000 2 B 26.885 1 ATOM 2369 O O . TYR 182 502 ? B 11.637 38.984 32.242 1.000 2 B 26.885 1 ATOM 2370 C CB . TYR 182 502 ? B 12.198 41.511 30.459 1.000 2 B 26.885 1 ATOM 2371 C CG . TYR 182 502 ? B 11.949 41.925 31.889 1.000 2 B 26.885 1 ATOM 2372 C CD1 . TYR 182 502 ? B 10.745 42.518 32.263 1.000 2 B 26.885 1 ATOM 2373 C CD2 . TYR 182 502 ? B 12.916 41.725 32.868 1.000 2 B 26.885 1 ATOM 2374 C CE1 . TYR 182 502 ? B 10.511 42.903 33.579 1.000 2 B 26.885 1 ATOM 2375 C CE2 . TYR 182 502 ? B 12.693 42.105 34.187 1.000 2 B 26.885 1 ATOM 2376 C CZ . TYR 182 502 ? B 11.489 42.692 34.533 1.000 2 B 26.885 1 ATOM 2377 O OH . TYR 182 502 ? B 11.263 43.071 35.837 1.000 2 B 26.885 1 ATOM 2378 N N . LYS 183 503 ? B 13.085 37.997 30.784 1.000 2 B 32.976 1 ATOM 2379 C CA . LYS 183 503 ? B 14.464 37.609 31.065 1.000 2 B 32.976 1 ATOM 2380 C C . LYS 183 503 ? B 14.517 36.316 31.874 1.000 2 B 32.976 1 ATOM 2381 O O . LYS 183 503 ? B 13.835 36.186 32.892 1.000 2 B 32.976 1 ATOM 2382 C CB . LYS 183 503 ? B 15.194 38.725 31.813 1.000 2 B 32.976 1 ATOM 2383 C CG . LYS 183 503 ? B 15.657 39.868 30.921 1.000 2 B 32.976 1 ATOM 2384 C CD . LYS 183 503 ? B 17.153 39.790 30.646 1.000 2 B 32.976 1 ATOM 2385 C CE . LYS 183 503 ? B 17.657 41.039 29.936 1.000 2 B 32.976 1 ATOM 2386 N NZ . LYS 183 503 ? B 19.138 41.008 29.743 1.000 2 B 32.976 1 ATOM 2387 N N . LYS 184 504 ? B 14.919 35.184 31.333 1.000 2 B 47.171 1 ATOM 2388 C CA . LYS 184 504 ? B 15.855 34.394 32.127 1.000 2 B 47.171 1 ATOM 2389 C C . LYS 184 504 ? B 16.641 33.426 31.247 1.000 2 B 47.171 1 ATOM 2390 O O . LYS 184 504 ? B 16.054 32.659 30.480 1.000 2 B 47.171 1 ATOM 2391 C CB . LYS 184 504 ? B 15.114 33.624 33.221 1.000 2 B 47.171 1 ATOM 2392 C CG . LYS 184 504 ? B 15.997 33.200 34.386 1.000 2 B 47.171 1 ATOM 2393 C CD . LYS 184 504 ? B 15.207 32.424 35.432 1.000 2 B 47.171 1 ATOM 2394 C CE . LYS 184 504 ? B 16.090 31.997 36.597 1.000 2 B 47.171 1 ATOM 2395 N NZ . LYS 184 504 ? B 15.308 31.290 37.655 1.000 2 B 47.171 1 ATOM 2396 N N . GLU 185 505 ? B 17.721 33.747 30.568 1.000 2 B 34.945 1 ATOM 2397 C CA . GLU 185 505 ? B 19.110 33.299 30.612 1.000 2 B 34.945 1 ATOM 2398 C C . GLU 185 505 ? B 19.411 32.562 31.914 1.000 2 B 34.945 1 ATOM 2399 O O . GLU 185 505 ? B 19.090 33.052 32.999 1.000 2 B 34.945 1 ATOM 2400 C CB . GLU 185 505 ? B 20.063 34.486 30.447 1.000 2 B 34.945 1 ATOM 2401 C CG . GLU 185 505 ? B 20.013 35.480 31.597 1.000 2 B 34.945 1 ATOM 2402 C CD . GLU 185 505 ? B 20.887 36.703 31.372 1.000 2 B 34.945 1 ATOM 2403 O OE1 . GLU 185 505 ? B 20.809 37.661 32.174 1.000 2 B 34.945 1 ATOM 2404 O OE2 . GLU 185 505 ? B 21.656 36.704 30.384 1.000 2 B 34.945 1 ATOM 2405 N N . GLY 186 506 ? B 19.584 31.185 31.946 1.000 2 B 45.011 1 ATOM 2406 C CA . GLY 186 506 ? B 20.456 30.395 32.800 1.000 2 B 45.011 1 ATOM 2407 C C . GLY 186 506 ? B 20.940 29.118 32.140 1.000 2 B 45.011 1 ATOM 2408 O O . GLY 186 506 ? B 20.142 28.352 31.597 1.000 2 B 45.011 1 ATOM 2409 N N . ARG 187 507 ? B 22.173 28.966 31.446 1.000 2 B 34.813 1 ATOM 2410 C CA . ARG 187 507 ? B 23.521 28.539 31.807 1.000 2 B 34.813 1 ATOM 2411 C C . ARG 187 507 ? B 23.482 27.334 32.741 1.000 2 B 34.813 1 ATOM 2412 O O . ARG 187 507 ? B 22.799 27.358 33.767 1.000 2 B 34.813 1 ATOM 2413 C CB . ARG 187 507 ? B 24.290 29.687 32.465 1.000 2 B 34.813 1 ATOM 2414 C CG . ARG 187 507 ? B 25.754 29.375 32.730 1.000 2 B 34.813 1 ATOM 2415 C CD . ARG 187 507 ? B 26.551 30.634 33.044 1.000 2 B 34.813 1 ATOM 2416 N NE . ARG 187 507 ? B 27.984 30.427 32.851 1.000 2 B 34.813 1 ATOM 2417 C CZ . ARG 187 507 ? B 28.929 31.290 33.210 1.000 2 B 34.813 1 ATOM 2418 N NH1 . ARG 187 507 ? B 28.611 32.442 33.791 1.000 2 B 34.813 1 ATOM 2419 N NH2 . ARG 187 507 ? B 30.203 31.001 32.987 1.000 2 B 34.813 1 ATOM 2420 N N . GLU 188 508 ? B 23.937 26.067 32.285 1.000 2 B 33.727 1 ATOM 2421 C CA . GLU 188 508 ? B 25.047 25.150 32.530 1.000 2 B 33.727 1 ATOM 2422 C C . GLU 188 508 ? B 24.639 24.033 33.486 1.000 2 B 33.727 1 ATOM 2423 O O . GLU 188 508 ? B 24.034 24.292 34.529 1.000 2 B 33.727 1 ATOM 2424 C CB . GLU 188 508 ? B 26.256 25.906 33.088 1.000 2 B 33.727 1 ATOM 2425 C CG . GLU 188 508 ? B 26.830 26.940 32.130 1.000 2 B 33.727 1 ATOM 2426 C CD . GLU 188 508 ? B 28.290 27.264 32.403 1.000 2 B 33.727 1 ATOM 2427 O OE1 . GLU 188 508 ? B 28.965 27.821 31.508 1.000 2 B 33.727 1 ATOM 2428 O OE2 . GLU 188 508 ? B 28.763 26.957 33.519 1.000 2 B 33.727 1 ATOM 2429 N N . GLN 189 509 ? B 24.827 22.742 33.112 1.000 2 B 37.325 1 ATOM 2430 C CA . GLN 189 509 ? B 25.750 21.731 33.616 1.000 2 B 37.325 1 ATOM 2431 C C . GLN 189 509 ? B 25.003 20.620 34.348 1.000 2 B 37.325 1 ATOM 2432 O O . GLN 189 509 ? B 24.228 20.887 35.269 1.000 2 B 37.325 1 ATOM 2433 C CB . GLN 189 509 ? B 26.787 22.366 34.544 1.000 2 B 37.325 1 ATOM 2434 C CG . GLN 189 509 ? B 28.054 22.820 33.831 1.000 2 B 37.325 1 ATOM 2435 C CD . GLN 189 509 ? B 29.101 23.366 34.784 1.000 2 B 37.325 1 ATOM 2436 O OE1 . GLN 189 509 ? B 29.100 23.046 35.978 1.000 2 B 37.325 1 ATOM 2437 N NE2 . GLN 189 509 ? B 30.001 24.194 34.266 1.000 2 B 37.325 1 ATOM 2438 N N . GLY 190 510 ? B 24.972 19.383 33.728 1.000 2 B 32.699 1 ATOM 2439 C CA . GLY 190 510 ? B 25.668 18.220 34.255 1.000 2 B 32.699 1 ATOM 2440 C C . GLY 190 510 ? B 24.821 17.399 35.209 1.000 2 B 32.699 1 ATOM 2441 O O . GLY 190 510 ? B 24.172 17.949 36.101 1.000 2 B 32.699 1 ATOM 2442 N N . THR 191 511 ? B 24.320 16.225 34.829 1.000 2 B 42.148 1 ATOM 2443 C CA . THR 191 511 ? B 24.601 15.066 35.669 1.000 2 B 42.148 1 ATOM 2444 C C . THR 191 511 ? B 23.916 13.819 35.115 1.000 2 B 42.148 1 ATOM 2445 O O . THR 191 511 ? B 22.701 13.811 34.909 1.000 2 B 42.148 1 ATOM 2446 C CB . THR 191 511 ? B 24.144 15.304 37.120 1.000 2 B 42.148 1 ATOM 2447 O OG1 . THR 191 511 ? B 24.320 16.687 37.449 1.000 2 B 42.148 1 ATOM 2448 C CG2 . THR 191 511 ? B 24.951 14.454 38.097 1.000 2 B 42.148 1 ATOM 2449 N N . GLY 192 512 ? B 24.487 13.004 34.096 1.000 2 B 34.067 1 ATOM 2450 C CA . GLY 192 512 ? B 25.157 11.727 34.281 1.000 2 B 34.067 1 ATOM 2451 C C . GLY 192 512 ? B 24.512 10.864 35.349 1.000 2 B 34.067 1 ATOM 2452 O O . GLY 192 512 ? B 24.105 11.367 36.399 1.000 2 B 34.067 1 ATOM 2453 N N . ASN 193 513 ? B 23.832 9.766 34.843 1.000 2 B 37.748 1 ATOM 2454 C CA . ASN 193 513 ? B 24.153 8.347 34.954 1.000 2 B 37.748 1 ATOM 2455 C C . ASN 193 513 ? B 23.798 7.798 36.333 1.000 2 B 37.748 1 ATOM 2456 O O . ASN 193 513 ? B 24.242 8.332 37.351 1.000 2 B 37.748 1 ATOM 2457 C CB . ASN 193 513 ? B 25.633 8.106 34.651 1.000 2 B 37.748 1 ATOM 2458 C CG . ASN 193 513 ? B 25.889 7.819 33.184 1.000 2 B 37.748 1 ATOM 2459 O OD1 . ASN 193 513 ? B 26.065 8.739 32.381 1.000 2 B 37.748 1 ATOM 2460 N ND2 . ASN 193 513 ? B 25.914 6.541 32.825 1.000 2 B 37.748 1 ATOM 2461 N N . SER 194 514 ? B 22.646 7.106 36.388 1.000 2 B 31.271 1 ATOM 2462 C CA . SER 194 514 ? B 22.195 5.757 36.714 1.000 2 B 31.271 1 ATOM 2463 C C . SER 194 514 ? B 23.321 4.929 37.324 1.000 2 B 31.271 1 ATOM 2464 O O . SER 194 514 ? B 24.459 4.976 36.851 1.000 2 B 31.271 1 ATOM 2465 C CB . SER 194 514 ? B 21.654 5.056 35.467 1.000 2 B 31.271 1 ATOM 2466 O OG . SER 194 514 ? B 22.280 5.555 34.298 1.000 2 B 31.271 1 ATOM 2467 N N . TYR 195 515 ? B 23.251 4.629 38.649 1.000 2 B 33.951 1 ATOM 2468 C CA . TYR 195 515 ? B 23.774 3.390 39.215 1.000 2 B 33.951 1 ATOM 2469 C C . TYR 195 515 ? B 23.408 3.266 40.689 1.000 2 B 33.951 1 ATOM 2470 O O . TYR 195 515 ? B 23.605 4.204 41.465 1.000 2 B 33.951 1 ATOM 2471 C CB . TYR 195 515 ? B 25.295 3.323 39.048 1.000 2 B 33.951 1 ATOM 2472 C CG . TYR 195 515 ? B 25.788 2.010 38.490 1.000 2 B 33.951 1 ATOM 2473 C CD1 . TYR 195 515 ? B 26.258 1.006 39.333 1.000 2 B 33.951 1 ATOM 2474 C CD2 . TYR 195 515 ? B 25.784 1.770 37.120 1.000 2 B 33.951 1 ATOM 2475 C CE1 . TYR 195 515 ? B 26.715 -0.206 38.824 1.000 2 B 33.951 1 ATOM 2476 C CE2 . TYR 195 515 ? B 26.238 0.563 36.600 1.000 2 B 33.951 1 ATOM 2477 C CZ . TYR 195 515 ? B 26.700 -0.418 37.458 1.000 2 B 33.951 1 ATOM 2478 O OH . TYR 195 515 ? B 27.151 -1.615 36.949 1.000 2 B 33.951 1 ATOM 2479 N N . THR 196 516 ? B 22.410 2.424 40.982 1.000 2 B 35.956 1 ATOM 2480 C CA . THR 196 516 ? B 22.167 1.232 41.788 1.000 2 B 35.956 1 ATOM 2481 C C . THR 196 516 ? B 23.421 0.837 42.561 1.000 2 B 35.956 1 ATOM 2482 O O . THR 196 516 ? B 24.521 0.823 42.005 1.000 2 B 35.956 1 ATOM 2483 C CB . THR 196 516 ? B 21.707 0.051 40.913 1.000 2 B 35.956 1 ATOM 2484 O OG1 . THR 196 516 ? B 22.718 -0.238 39.940 1.000 2 B 35.956 1 ATOM 2485 C CG2 . THR 196 516 ? B 20.403 0.376 40.192 1.000 2 B 35.956 1 ATOM 2486 N N . ASP 197 517 ? B 23.453 0.972 43.936 1.000 2 B 45.492 1 ATOM 2487 C CA . ASP 197 517 ? B 24.148 0.050 44.829 1.000 2 B 45.492 1 ATOM 2488 C C . ASP 197 517 ? B 23.845 0.368 46.291 1.000 2 B 45.492 1 ATOM 2489 O O . ASP 197 517 ? B 23.937 1.523 46.712 1.000 2 B 45.492 1 ATOM 2490 C CB . ASP 197 517 ? B 25.657 0.099 44.581 1.000 2 B 45.492 1 ATOM 2491 C CG . ASP 197 517 ? B 26.335 -1.245 44.783 1.000 2 B 45.492 1 ATOM 2492 O OD1 . ASP 197 517 ? B 25.784 -2.104 45.506 1.000 2 B 45.492 1 ATOM 2493 O OD2 . ASP 197 517 ? B 27.430 -1.447 44.216 1.000 2 B 45.492 1 ATOM 2494 N N . THR 198 518 ? B 23.125 -0.494 47.027 1.000 2 B 37.265 1 ATOM 2495 C CA . THR 198 518 ? B 23.276 -1.453 48.116 1.000 2 B 37.265 1 ATOM 2496 C C . THR 198 518 ? B 23.393 -0.734 49.457 1.000 2 B 37.265 1 ATOM 2497 O O . THR 198 518 ? B 24.102 0.268 49.571 1.000 2 B 37.265 1 ATOM 2498 C CB . THR 198 518 ? B 24.509 -2.351 47.902 1.000 2 B 37.265 1 ATOM 2499 O OG1 . THR 198 518 ? B 25.687 -1.535 47.869 1.000 2 B 37.265 1 ATOM 2500 C CG2 . THR 198 518 ? B 24.404 -3.127 46.594 1.000 2 B 37.265 1 ATOM 2501 N N . SER 199 519 ? B 22.528 -1.032 50.417 1.000 2 B 31.575 1 ATOM 2502 C CA . SER 199 519 ? B 22.694 -1.717 51.695 1.000 2 B 31.575 1 ATOM 2503 C C . SER 199 519 ? B 22.797 -0.721 52.846 1.000 2 B 31.575 1 ATOM 2504 O O . SER 199 519 ? B 23.635 0.182 52.819 1.000 2 B 31.575 1 ATOM 2505 C CB . SER 199 519 ? B 23.937 -2.608 51.669 1.000 2 B 31.575 1 ATOM 2506 O OG . SER 199 519 ? B 25.115 -1.825 51.583 1.000 2 B 31.575 1 ATOM 2507 N N . GLY 200 520 ? B 21.729 -0.643 53.702 1.000 2 B 37.351 1 ATOM 2508 C CA . GLY 200 520 ? B 21.539 -0.729 55.141 1.000 2 B 37.351 1 ATOM 2509 C C . GLY 200 520 ? B 20.079 -0.695 55.553 1.000 2 B 37.351 1 ATOM 2510 O O . GLY 200 520 ? B 19.304 0.116 55.042 1.000 2 B 37.351 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-t3vr3-024 https://modelarchive.org/api/projects/ma-t3vr3-024?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-t3vr3-024_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error and contact probability' . 2 1 O00472-D5_Q9UHB7-D3.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 60.895 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 83.681 2 1 A 2 PRO 2 93.283 3 1 A 3 ASP 2 96.583 4 1 A 4 TYR 2 97.137 5 1 A 5 LEU 2 97.248 6 1 A 6 ILE 2 97.203 7 1 A 7 LYS 2 97.223 8 1 A 8 TYR 2 97.904 9 1 A 9 ILE 2 97.430 10 1 A 10 ALA 2 97.928 11 1 A 11 ILE 2 98.293 12 1 A 12 VAL 2 97.362 13 1 A 13 SER 2 97.744 14 1 A 14 TYR 2 97.806 15 1 A 15 GLU 2 98.348 16 1 A 16 GLN 2 98.381 17 1 A 17 ARG 2 98.440 18 1 A 18 GLN 2 98.523 19 1 A 19 ASN 2 98.434 20 1 A 20 TYR 2 98.550 21 1 A 21 LYS 2 98.409 22 1 A 22 ASP 2 98.461 23 1 A 23 ASP 2 98.111 24 1 A 24 PHE 2 98.456 25 1 A 25 ASN 2 98.103 26 1 A 26 ALA 2 98.198 27 1 A 27 GLU 2 97.223 28 1 A 28 TYR 2 97.875 29 1 A 29 ASP 2 97.934 30 1 A 30 GLU 2 97.870 31 1 A 31 TYR 2 98.179 32 1 A 32 ARG 2 97.929 33 1 A 33 ALA 2 97.309 34 1 A 34 LEU 2 96.523 35 1 A 35 HIS 2 96.591 36 1 A 36 ALA 2 96.073 37 1 A 37 ARG 2 94.044 38 1 A 38 MET 2 94.155 39 1 A 39 GLU 2 94.226 40 1 A 40 THR 2 94.142 41 1 A 41 VAL 2 92.647 42 1 A 42 ALA 2 92.581 43 1 A 43 ARG 2 95.170 44 1 A 44 ARG 2 94.434 45 1 A 45 PHE 2 94.431 46 1 A 46 ILE 2 94.773 47 1 A 47 LYS 2 95.524 48 1 A 48 LEU 2 94.703 49 1 A 49 ASP 2 92.032 50 1 A 50 ALA 2 94.503 51 1 A 51 GLN 2 94.522 52 1 A 52 ARG 2 92.288 53 1 A 53 LYS 2 92.348 54 1 A 54 ARG 2 93.675 55 1 A 55 LEU 2 93.516 56 1 A 56 SER 2 92.308 57 1 A 57 PRO 2 87.725 58 1 A 58 GLY 2 89.083 59 1 A 59 SER 2 94.707 60 1 A 60 LYS 2 94.956 61 1 A 61 GLU 2 94.156 62 1 A 62 TYR 2 94.578 63 1 A 63 GLN 2 94.496 64 1 A 64 ASN 2 95.244 65 1 A 65 VAL 2 94.635 66 1 A 66 HIS 2 92.508 67 1 A 67 GLU 2 94.775 68 1 A 68 GLU 2 95.374 69 1 A 69 VAL 2 94.255 70 1 A 70 LEU 2 94.469 71 1 A 71 GLN 2 95.246 72 1 A 72 GLU 2 93.472 73 1 A 73 TYR 2 91.821 74 1 A 74 GLN 2 93.278 75 1 A 75 LYS 2 93.938 76 1 A 76 ILE 2 92.316 77 1 A 77 LYS 2 89.905 78 1 A 78 GLN 2 90.770 79 1 A 79 SER 2 89.595 80 1 A 80 SER 2 87.168 81 1 A 81 PRO 2 88.449 82 1 A 82 ASN 2 91.524 83 1 A 83 TYR 2 91.609 84 1 A 84 HIS 2 91.911 85 1 A 85 GLU 2 94.825 86 1 A 86 GLU 2 94.312 87 1 A 87 LYS 2 94.305 88 1 A 88 TYR 2 95.562 89 1 A 89 ARG 2 97.185 90 1 A 90 CYS 2 97.119 91 1 A 91 GLU 2 96.469 92 1 A 92 TYR 2 97.768 93 1 A 93 LEU 2 98.102 94 1 A 94 HIS 2 97.968 95 1 A 95 ASN 2 98.049 96 1 A 96 LYS 2 98.375 97 1 A 97 LEU 2 98.517 98 1 A 98 ALA 2 98.245 99 1 A 99 HIS 2 98.439 100 1 A 100 ILE 2 98.418 101 1 A 101 LYS 2 98.253 102 1 A 102 ARG 2 98.470 103 1 A 103 LEU 2 98.569 104 1 A 104 ILE 2 98.211 105 1 A 105 GLY 2 97.815 106 1 A 106 GLU 2 97.989 107 1 A 107 PHE 2 97.868 108 1 A 108 ASP 2 96.747 109 1 A 109 GLN 2 96.995 110 1 A 110 GLN 2 96.061 111 1 A 111 GLN 2 94.323 112 1 A 112 ALA 2 94.479 113 1 A 113 GLU 2 94.107 114 1 A 114 SER 2 90.586 115 1 A 115 TRP 2 81.061 116 1 A 116 SER 2 73.612 117 1 B 1 LYS 2 43.645 118 1 B 2 GLU 2 43.447 119 1 B 3 MET 2 39.985 120 1 B 4 THR 2 49.675 121 1 B 5 HIS 2 46.533 122 1 B 6 SER 2 50.010 123 1 B 7 TRP 2 38.154 124 1 B 8 PRO 2 54.033 125 1 B 9 PRO 2 40.019 126 1 B 10 PRO 2 43.102 127 1 B 11 LEU 2 50.665 128 1 B 12 THR 2 41.697 129 1 B 13 ALA 2 38.262 130 1 B 14 ILE 2 42.187 131 1 B 15 HIS 2 35.229 132 1 B 16 THR 2 32.644 133 1 B 17 PRO 2 48.100 134 1 B 18 CYS 2 39.473 135 1 B 19 LYS 2 39.300 136 1 B 20 THR 2 38.720 137 1 B 21 GLU 2 40.169 138 1 B 22 PRO 2 48.048 139 1 B 23 SER 2 56.422 140 1 B 24 LYS 2 51.912 141 1 B 25 PHE 2 45.949 142 1 B 26 PRO 2 47.459 143 1 B 27 PHE 2 42.078 144 1 B 28 PRO 2 46.466 145 1 B 29 THR 2 40.786 146 1 B 30 LYS 2 37.791 147 1 B 31 GLU 2 35.119 148 1 B 32 SER 2 39.145 149 1 B 33 GLN 2 35.751 150 1 B 34 GLN 2 33.482 151 1 B 35 SER 2 37.564 152 1 B 36 ASN 2 39.028 153 1 B 37 PHE 2 33.233 154 1 B 38 GLY 2 40.202 155 1 B 39 THR 2 33.102 156 1 B 40 GLY 2 32.875 157 1 B 41 GLU 2 33.398 158 1 B 42 GLN 2 34.009 159 1 B 43 LYS 2 40.113 160 1 B 44 ARG 2 37.901 161 1 B 45 TYR 2 30.637 162 1 B 46 ASN 2 41.602 163 1 B 47 PRO 2 38.354 164 1 B 48 SER 2 37.255 165 1 B 49 LYS 2 37.942 166 1 B 50 THR 2 34.270 167 1 B 51 SER 2 42.215 168 1 B 52 ASN 2 36.850 169 1 B 53 GLY 2 36.451 170 1 B 54 HIS 2 34.483 171 1 B 55 GLN 2 36.174 172 1 B 56 SER 2 37.539 173 1 B 57 LYS 2 36.718 174 1 B 58 SER 2 41.805 175 1 B 59 MET 2 45.181 176 1 B 60 LEU 2 42.096 177 1 B 61 LYS 2 48.836 178 1 B 62 ASP 2 52.480 179 1 B 63 ASP 2 49.940 180 1 B 64 LEU 2 50.187 181 1 B 65 LYS 2 49.969 182 1 B 66 LEU 2 38.316 183 1 B 67 SER 2 40.651 184 1 B 68 SER 2 40.303 185 1 B 69 SER 2 47.980 186 1 B 70 GLU 2 43.993 187 1 B 71 ASP 2 43.318 188 1 B 72 SER 2 56.797 189 1 B 73 ASP 2 40.067 190 1 B 74 GLY 2 43.055 191 1 B 75 GLU 2 39.048 192 1 B 76 GLN 2 41.306 193 1 B 77 ASP 2 32.178 194 1 B 78 CYS 2 37.014 195 1 B 79 ASP 2 33.520 196 1 B 80 LYS 2 37.274 197 1 B 81 THR 2 36.262 198 1 B 82 MET 2 30.055 199 1 B 83 PRO 2 51.878 200 1 B 84 ARG 2 39.428 201 1 B 85 SER 2 33.952 202 1 B 86 THR 2 28.684 203 1 B 87 PRO 2 39.008 204 1 B 88 GLY 2 26.852 205 1 B 89 SER 2 45.194 206 1 B 90 ASN 2 31.197 207 1 B 91 SER 2 40.359 208 1 B 92 GLU 2 29.730 209 1 B 93 PRO 2 44.972 210 1 B 94 SER 2 36.721 211 1 B 95 HIS 2 34.988 212 1 B 96 HIS 2 39.579 213 1 B 97 ASN 2 34.291 214 1 B 98 SER 2 42.442 215 1 B 99 GLU 2 37.358 216 1 B 100 GLY 2 42.877 217 1 B 101 ALA 2 39.633 218 1 B 102 ASP 2 33.243 219 1 B 103 ASN 2 39.459 220 1 B 104 SER 2 37.999 221 1 B 105 ARG 2 44.596 222 1 B 106 ASP 2 47.568 223 1 B 107 ASP 2 42.877 224 1 B 108 SER 2 56.596 225 1 B 109 SER 2 44.449 226 1 B 110 SER 2 39.192 227 1 B 111 HIS 2 44.935 228 1 B 112 SER 2 40.743 229 1 B 113 GLY 2 39.227 230 1 B 114 SER 2 40.366 231 1 B 115 GLU 2 47.342 232 1 B 116 SER 2 53.016 233 1 B 117 SER 2 42.328 234 1 B 118 SER 2 47.517 235 1 B 119 GLY 2 38.877 236 1 B 120 SER 2 42.437 237 1 B 121 ASP 2 53.910 238 1 B 122 SER 2 45.470 239 1 B 123 GLU 2 39.790 240 1 B 124 SER 2 38.612 241 1 B 125 GLU 2 31.684 242 1 B 126 SER 2 33.798 243 1 B 127 SER 2 35.725 244 1 B 128 SER 2 36.553 245 1 B 129 SER 2 44.692 246 1 B 130 ASP 2 36.295 247 1 B 131 SER 2 45.339 248 1 B 132 GLU 2 37.114 249 1 B 133 ALA 2 35.975 250 1 B 134 ASN 2 38.129 251 1 B 135 GLU 2 33.641 252 1 B 136 PRO 2 36.180 253 1 B 137 SER 2 32.444 254 1 B 138 GLN 2 33.549 255 1 B 139 SER 2 31.718 256 1 B 140 ALA 2 36.663 257 1 B 141 SER 2 39.052 258 1 B 142 PRO 2 41.991 259 1 B 143 GLU 2 46.464 260 1 B 144 PRO 2 46.323 261 1 B 145 GLU 2 47.589 262 1 B 146 PRO 2 42.591 263 1 B 147 PRO 2 42.938 264 1 B 148 PRO 2 48.582 265 1 B 149 THR 2 49.559 266 1 B 150 ASN 2 53.702 267 1 B 151 LYS 2 52.492 268 1 B 152 TRP 2 58.345 269 1 B 153 GLN 2 63.428 270 1 B 154 LEU 2 59.831 271 1 B 155 ASP 2 60.997 272 1 B 156 ASN 2 62.836 273 1 B 157 TRP 2 60.592 274 1 B 158 LEU 2 56.931 275 1 B 159 ASN 2 64.930 276 1 B 160 LYS 2 60.925 277 1 B 161 VAL 2 59.464 278 1 B 162 ASN 2 50.782 279 1 B 163 PRO 2 52.734 280 1 B 164 HIS 2 48.691 281 1 B 165 LYS 2 45.849 282 1 B 166 VAL 2 39.413 283 1 B 167 SER 2 33.338 284 1 B 168 PRO 2 37.649 285 1 B 169 ALA 2 32.658 286 1 B 170 SER 2 33.736 287 1 B 171 SER 2 33.885 288 1 B 172 VAL 2 31.046 289 1 B 173 ASP 2 31.927 290 1 B 174 SER 2 31.863 291 1 B 175 ASN 2 31.389 292 1 B 176 ILE 2 33.766 293 1 B 177 PRO 2 40.346 294 1 B 178 SER 2 34.868 295 1 B 179 SER 2 33.494 296 1 B 180 GLN 2 32.994 297 1 B 181 GLY 2 34.811 298 1 B 182 TYR 2 26.885 299 1 B 183 LYS 2 32.976 300 1 B 184 LYS 2 47.171 301 1 B 185 GLU 2 34.945 302 1 B 186 GLY 2 45.011 303 1 B 187 ARG 2 34.813 304 1 B 188 GLU 2 33.727 305 1 B 189 GLN 2 37.325 306 1 B 190 GLY 2 32.699 307 1 B 191 THR 2 42.148 308 1 B 192 GLY 2 34.067 309 1 B 193 ASN 2 37.748 310 1 B 194 SER 2 31.271 311 1 B 195 TYR 2 33.951 312 1 B 196 THR 2 35.956 313 1 B 197 ASP 2 45.492 314 1 B 198 THR 2 37.265 315 1 B 199 SER 2 31.575 316 1 B 200 GLY 2 37.351 _database_2.database_id ModelArchive _database_2.database_code ma-t3vr3-024 _database_2.pdbx_DOI 10.5452/ma-t3vr3-024 _pdbx_database_status.entry_id ma-t3vr3-024 _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'