From ff8739e1f718b832974706dc390225f21d8f2087 Mon Sep 17 00:00:00 2001 From: Zachary Charlop-Powers Date: Sat, 20 Jul 2024 12:06:20 -0400 Subject: [PATCH 1/8] add tests --- .github/workflows/docs.yaml | 2 +- .github/workflows/tests.yaml | 14 ++++++++++++++ 2 files changed, 15 insertions(+), 1 deletion(-) create mode 100644 .github/workflows/tests.yaml diff --git a/.github/workflows/docs.yaml b/.github/workflows/docs.yaml index 5f14e73..b348648 100644 --- a/.github/workflows/docs.yaml +++ b/.github/workflows/docs.yaml @@ -1,7 +1,7 @@ name: Docs on: push: - branches: [main, 20240719-view] + branches: [main] permissions: contents: read pages: write diff --git a/.github/workflows/tests.yaml b/.github/workflows/tests.yaml new file mode 100644 index 0000000..16625ac --- /dev/null +++ b/.github/workflows/tests.yaml @@ -0,0 +1,14 @@ +name: Tests +jobs: + test: + name: Run Tests + runs-on: ubuntu-latest + steps: + - name: Checkout repository + uses: actions/checkout@v4 + - name: Setup Rust + uses: dtolnay/rust-toolchain@stable + - name: Configure cache + uses: Swatinem/rust-cache@v2 + - name: Run tests + run: cargo test --verbose From c7d9848a2aa290674331e3124da541044cafb1ab Mon Sep 17 00:00:00 2001 From: Zachary Charlop-Powers Date: Sat, 20 Jul 2024 12:08:04 -0400 Subject: [PATCH 2/8] add an `on` --- .github/workflows/tests.yaml | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/.github/workflows/tests.yaml b/.github/workflows/tests.yaml index 16625ac..212e3b1 100644 --- a/.github/workflows/tests.yaml +++ b/.github/workflows/tests.yaml @@ -1,4 +1,11 @@ name: Tests +on: + push: + branches: + - "**" + pull_request: + branches: + - "**" jobs: test: name: Run Tests From d1ef93c59f4037d872988acaae3685872e471ef9 Mon Sep 17 00:00:00 2001 From: Zachary Charlop-Powers Date: Sat, 20 Jul 2024 12:09:46 -0400 Subject: [PATCH 3/8] fix imports --- tests/test_molview_spec.rs | 2 +- tests/test_pse_parsing.rs | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/tests/test_molview_spec.rs b/tests/test_molview_spec.rs index 0fb6348..c6a04cf 100644 --- a/tests/test_molview_spec.rs +++ b/tests/test_molview_spec.rs @@ -1,4 +1,4 @@ -use pymol_session_utils::molviewspec::nodes::{ +use pseutils::molviewspec::nodes::{ ColorT, ComponentExpression, ComponentSelector, ComponentSelectorT, ParseFormatT, ParseParams, RepresentationTypeT, State, StructureParams, StructureTypeT, }; diff --git a/tests/test_pse_parsing.rs b/tests/test_pse_parsing.rs index b1a067c..b81ca9e 100644 --- a/tests/test_pse_parsing.rs +++ b/tests/test_pse_parsing.rs @@ -1,5 +1,5 @@ -use pymol_session_utils::pymolparsing::parsing::{CustomValue, SettingsEnum}; -use pymol_session_utils::PSEData; +use pseutils::pymolparsing::parsing::{CustomValue, SettingsEnum}; +use pseutils::PSEData; const TEST_OUTPUT_DIR: &str = "./test_temporary"; #[test] From aaf71072b9cf96e0ce3f1de54f80a5274ed5c724 Mon Sep 17 00:00:00 2001 From: Zachary Charlop-Powers Date: Sat, 20 Jul 2024 12:11:05 -0400 Subject: [PATCH 4/8] add molspecdata --- tests/mol-spec-data/.DS_Store | Bin 0 -> 6148 bytes tests/mol-spec-data/1cbs/annotations.cif | 39 + tests/mol-spec-data/1cbs/auth_residue.json | 3 + .../1cbs/auth_residue_range.json | 7 + tests/mol-spec-data/1cbs/chain_label.json | 4 + tests/mol-spec-data/1cbs/components.cif | 14 + .../1cbs/custom-multicategory.cif | 50 + tests/mol-spec-data/1cbs/custom.bcif | Bin 0 -> 2280 bytes tests/mol-spec-data/1cbs/custom.cif | 16 + tests/mol-spec-data/1cbs/molecule.cif | 3120 ++++ tests/mol-spec-data/1cbs/rainbow.json | 62 + tests/mol-spec-data/1cbs/validation.json | 1 + tests/mol-spec-data/1cbs_2nnj_1tqn.cif | 14643 ++++++++++++++++ tests/mol-spec-data/1h9t/domains-grouped.json | 163 + tests/mol-spec-data/1h9t/domains.cif | 34 + tests/mol-spec-data/1h9t/domains.json | 155 + tests/mol-spec-data/1hda/bfactor.cif | 4608 +++++ tests/mol-spec-data/1hda/portfolio.cif | 73 + tests/mol-spec-data/1hda/validation.json | 692 + tests/mol-spec-data/1tqn/bfactor.cif | 4007 +++++ tests/mol-spec-data/1tqn/validation.json | 1160 ++ tests/mol-spec-data/2bvk/atoms.json | 96 + tests/mol-spec-data/3j3q/validation.json | 1 + .../AF-Q5VSL9-F1-model_v4/plddt.cif | 844 + tests/mol-spec-data/README.md | 15 + 25 files changed, 29807 insertions(+) create mode 100644 tests/mol-spec-data/.DS_Store create mode 100644 tests/mol-spec-data/1cbs/annotations.cif create mode 100644 tests/mol-spec-data/1cbs/auth_residue.json create mode 100644 tests/mol-spec-data/1cbs/auth_residue_range.json create mode 100644 tests/mol-spec-data/1cbs/chain_label.json create mode 100644 tests/mol-spec-data/1cbs/components.cif create mode 100644 tests/mol-spec-data/1cbs/custom-multicategory.cif create mode 100644 tests/mol-spec-data/1cbs/custom.bcif create mode 100644 tests/mol-spec-data/1cbs/custom.cif create mode 100644 tests/mol-spec-data/1cbs/molecule.cif create mode 100644 tests/mol-spec-data/1cbs/rainbow.json create mode 100644 tests/mol-spec-data/1cbs/validation.json create mode 100644 tests/mol-spec-data/1cbs_2nnj_1tqn.cif create mode 100644 tests/mol-spec-data/1h9t/domains-grouped.json create mode 100644 tests/mol-spec-data/1h9t/domains.cif create mode 100644 tests/mol-spec-data/1h9t/domains.json create mode 100644 tests/mol-spec-data/1hda/bfactor.cif create mode 100644 tests/mol-spec-data/1hda/portfolio.cif create mode 100644 tests/mol-spec-data/1hda/validation.json create mode 100644 tests/mol-spec-data/1tqn/bfactor.cif create mode 100644 tests/mol-spec-data/1tqn/validation.json create mode 100644 tests/mol-spec-data/2bvk/atoms.json create mode 100644 tests/mol-spec-data/3j3q/validation.json create mode 100644 tests/mol-spec-data/AF-Q5VSL9-F1-model_v4/plddt.cif create mode 100644 tests/mol-spec-data/README.md diff --git a/tests/mol-spec-data/.DS_Store b/tests/mol-spec-data/.DS_Store new file mode 100644 index 0000000000000000000000000000000000000000..321c526f4ac67be2006e6c59e192aa1e3dfa35bb GIT binary patch literal 6148 zcmeHKF>4e-7=3d&^hi=%BPdvGnI@1kv9Q~OQ&7@`0}%wV ztgKR})7rmbY_0WuGhedvc^fenA~GM$yt#QZ^LF0u%-jHQE6)cVpbenKB-os0RujTY znuvzhTqimiWAwPw+bYI;6D?Ckav(YIFFGJ=w}}q6(8n{gej8twVs2b?yZuqoXI<;- zwVj9U?BlZK2fyU^hSA8Q!%f^r53Bsf=2_EWK1RVezl{+d(UB$dWLUp+vEK2sA06+Wu89li$6wK( zjbP@F4VnM%2G4AXmaMlF$${iRav*j<_J@o~Fjp)C`mKYRzXA}OtoFfjTMEQXF;^@D zl3}>el^D7@y<)h~o%NZv%N5Ijp*x&jKAb8$y`ea-&hazf94-%-^5j5rz&bD$ezxWO zzkUAw-*!sBk^{+s|H=W^?Do1VoRXfc6O)s(He=dgl8|;~K;MO#9>=~QNAXoAALKGA W5Oc*cAZr-ukASx!WyyiR>c9^uBGX*} literal 0 HcmV?d00001 diff --git a/tests/mol-spec-data/1cbs/annotations.cif b/tests/mol-spec-data/1cbs/annotations.cif new file mode 100644 index 0000000..6fbcafe --- /dev/null +++ b/tests/mol-spec-data/1cbs/annotations.cif @@ -0,0 +1,39 @@ +# Test annotations # + +# Chain Annotation (label) +loop_ +_mvs_test_chain_label_annotation.label_asym_id +_mvs_test_chain_label_annotation.label_entity_id +_mvs_test_chain_label_annotation.tooltip +_mvs_test_chain_label_annotation.color +# polymer +A . polymer '#AAAAAA' +# REA ligand +B . ligand '#FF0000' + +# Residue Annotation (auth) +loop_ +_mvs_test_auth_residue_annotation.auth_asym_id +_mvs_test_auth_residue_annotation.auth_seq_id +_mvs_test_auth_residue_annotation.pdbx_PDB_ins_code +_mvs_test_auth_residue_annotation.tooltip +_mvs_test_auth_residue_annotation.color +# not possible to annotate the whole polymer using this +# REA ligand +A 200 . ligand '#FF0000' + +# Residue Range Annotation (auth) +loop_ +_mvs_test_auth_residue_range_annotation.auth_asym_id +_mvs_test_auth_residue_range_annotation.beg_auth_seq_id +_mvs_test_auth_residue_range_annotation.beg_pdbx_PDB_ins_code +_mvs_test_auth_residue_range_annotation.end_auth_seq_id +_mvs_test_auth_residue_range_annotation.end_pdbx_PDB_ins_code +_mvs_test_auth_residue_range_annotation.tooltip +_mvs_test_auth_residue_range_annotation.color +# polymer +A 1 . 137 . polymer '#AAAAAA' +# REA ligand +A 200 . 200 . ligand '#FF0000' + +# \ No newline at end of file diff --git a/tests/mol-spec-data/1cbs/auth_residue.json b/tests/mol-spec-data/1cbs/auth_residue.json new file mode 100644 index 0000000..0ba340e --- /dev/null +++ b/tests/mol-spec-data/1cbs/auth_residue.json @@ -0,0 +1,3 @@ +[ + { "auth_asym_id": "A", "auth_seq_id": 200, "pdbx_PDB_ins_code": null, "tooltip": "ligand", "color": "#FF0000" } +] \ No newline at end of file diff --git a/tests/mol-spec-data/1cbs/auth_residue_range.json b/tests/mol-spec-data/1cbs/auth_residue_range.json new file mode 100644 index 0000000..06538cd --- /dev/null +++ b/tests/mol-spec-data/1cbs/auth_residue_range.json @@ -0,0 +1,7 @@ +{ + "auth_asym_id": ["A", "A"], + "beg_auth_seq_id": [1, 200], + "end_auth_seq_id": [137, 200], + "tooltip": ["polymer", "ligand"], + "color": ["#121212", "#FF0000"] +} \ No newline at end of file diff --git a/tests/mol-spec-data/1cbs/chain_label.json b/tests/mol-spec-data/1cbs/chain_label.json new file mode 100644 index 0000000..13a28fd --- /dev/null +++ b/tests/mol-spec-data/1cbs/chain_label.json @@ -0,0 +1,4 @@ +[ + { "label_asym_id": "A", "label_entity_id": null, "tooltip": "polymer", "color": "#121212" }, + { "label_asym_id": "B", "label_entity_id": null, "tooltip": "ligand", "color": "#FF0000" } +] \ No newline at end of file diff --git a/tests/mol-spec-data/1cbs/components.cif b/tests/mol-spec-data/1cbs/components.cif new file mode 100644 index 0000000..83b5932 --- /dev/null +++ b/tests/mol-spec-data/1cbs/components.cif @@ -0,0 +1,14 @@ +# Test annotations # + +# Component Selection +loop_ +_mvs_test_component1.label_asym_id +_mvs_test_component1.label_entity_id +# polymer +A . + +loop_ +_mvs_test_component1.label_asym_id +_mvs_test_component1.label_entity_id +# REA ligand +B . diff --git a/tests/mol-spec-data/1cbs/custom-multicategory.cif b/tests/mol-spec-data/1cbs/custom-multicategory.cif new file mode 100644 index 0000000..de4fd08 --- /dev/null +++ b/tests/mol-spec-data/1cbs/custom-multicategory.cif @@ -0,0 +1,50 @@ +data_block1 + +# Test annotations # + +# Chain Annotation (label) +loop_ +_color.label_asym_id +_color.label_entity_id +_color.type_symbol +_color.label_atom_id +_color.tooltip +_color.color +# polymer +A . . . polymer '#AAAAAA' +# REA ligand +B . . . ligand '#FF0000' +B . C . ligand '#0044FF' +B . . C2 ligand '#00FFFF' + + +data_block2 + +# Chain Annotation (label) +loop_ +_weather_forecast.day +_weather_forecast.temperature +monday 20 +tuesday 20 +wednesday 0 + +loop_ +_color.label_asym_id +_color.label_entity_id +_color.type_symbol +_color.label_atom_id +_color.tooltip +_color.color +_color.secondary_color +A . . . polymer green orange +B . . . ligand blue yellow + +loop_ +_black_is_good.label_asym_id +_black_is_good.label_entity_id +_black_is_good.type_symbol +_black_is_good.label_atom_id +_black_is_good.tooltip +_black_is_good.color +A . . . polymer black +B . . . ligand black diff --git a/tests/mol-spec-data/1cbs/custom.bcif b/tests/mol-spec-data/1cbs/custom.bcif new file mode 100644 index 0000000000000000000000000000000000000000..0f6295316646afaa7b47d220f8c30744c26e3b96 GIT binary patch literal 2280 zcmdUxL2uJA6vv%5V_yTQHx45j`vPr8BqR=q!MSpi*UYM8SGEfZ#}+<7g~WMGX|r~0 zyY0jQLBAKgIBQg)Ak<0Kws&w6$M$>q`LDk-&Oih*1a%!t{^V)EdPYjFALGq_7n|%I zD9xmpdVA0IyhTV2ZE+d&^<*?V28t6;76CO7NyR`<#;Kq&%sPSOQf1fJ)g(+{qzvHp)*VtF+nn| zf;Y(k>L2aP%NGI*0riRoxK=dpCI;GaD2%gU`mN9`5)l5%Cmpd5;EwF1c?(C`e5t{u z+=aFk9AfU%X6sV+dK%33s;F02krjFMvQ8YwqFTDdAta5d?*AxwUKKn+7-o`N6P>>v zikBcFb6nCa3Ec*3t@?x3u%2uk>OX2Iq1F&&F0N&bxR&Ue4y((**#ZZnfPbEgrGrxL zN`6;T{#kBRWzo(W^RMl#L;t^$NvUMw{N9i|x#7Mt5hEXpiM03c1Nz#^L< literal 0 HcmV?d00001 diff --git a/tests/mol-spec-data/1cbs/custom.cif b/tests/mol-spec-data/1cbs/custom.cif new file mode 100644 index 0000000..68ab3d0 --- /dev/null +++ b/tests/mol-spec-data/1cbs/custom.cif @@ -0,0 +1,16 @@ +# Test annotations # + +# Chain Annotation (label) +loop_ +_color.label_asym_id +_color.label_entity_id +_color.type_symbol +_color.label_atom_id +_color.tooltip +_color.color +# polymer +A . . . polymer '#AAAAAA' +# REA ligand +B . . . ligand '#FF0000' +B . C . ligand '#0044FF' +B . . C2 ligand '#00FFFF' diff --git a/tests/mol-spec-data/1cbs/molecule.cif b/tests/mol-spec-data/1cbs/molecule.cif new file mode 100644 index 0000000..ca09d03 --- /dev/null +++ b/tests/mol-spec-data/1cbs/molecule.cif @@ -0,0 +1,3120 @@ +data_1CBS +# +_entry.id 1CBS +# +loop_ +_citation.journal_abbrev +_citation.pdbx_database_id_DOI +_citation.book_publisher +_citation.journal_id_CSD +_citation.title +_citation.country +_citation.pdbx_database_id_PubMed +_citation.page_first +_citation.page_last +_citation.journal_volume +_citation.journal_id_ISSN +_citation.year +_citation.journal_id_ASTM +_citation.id +Structure 10.1016/S0969-2126(94)00125-1 ? 2005 'Crystal structures of cellular retinoic acid binding proteins I and II in complex with all-trans-retinoic acid and a synthetic retinoid.' UK 7704533 1241 1258 2 0969-2126 1994 STRUE6 primary +'Adv Protein Chem' . ? 0433 'Lipid-binding proteins: a family of fatty acid and retinoid transport proteins.' US 8154375 89 ? 45 '0065-3233; 1557-8941; ' 1994 APCHA2 1 +'Acta Crystallogr.,Sect.D' ? ? 0766 'Crystallisation and Preliminary X-Ray Analysis of Recombinant Bovine Cellular Retinoic Acid-Binding Protein' DK ? 370 ? 50 0907-4449 1994 ABCRE6 2 +J.Mol.Biol. ? ? 0070 'Crystallographic Studies on a Family of Lipophilic Transport Proteins. Refinement of P2 Myelin Protein and the Structure Determination and Refinement of Cellular Retinol-Binding Protein in Complex with All-Trans-Retinol' UK ? 1225 ? 230 0022-2836 1993 JMOBAK 3 +'EMBO J' . ? 0897 'The three-dimensional structure of P2 myelin protein.' UK 2458918 1597 ? 7 '0261-4189; 1460-2075; ' 1988 EMJODG 4 +# +loop_ +_citation_author.ordinal +_citation_author.name +_citation_author.citation_id +1 'Kleywegt, G.J.' primary +2 'Bergfors, T.' primary +3 'Senn, H.' primary +4 'Le Motte, P.' primary +5 'Gsell, B.' primary +6 'Shudo, K.' primary +7 'Jones, T.A.' primary +8 'Bergfors, T.' 2 +9 'Kleywegt, G.J.' 2 +10 'Jones, T.A.' 2 +11 'Cowan, S.W.' 3 +12 'Newcomer, M.E.' 3 +13 'Jones, T.A.' 3 +14 'Banaszak, L.' 1 +15 'Winter, N.' 1 +16 'Xu, Z.' 1 +17 'Bernlohr, D.A.' 1 +18 'Cowan, S.' 1 +19 'Jones, T.A.' 1 +20 'Jones, T.A.' 4 +21 'Bergfors, T.' 4 +22 'Sedzik, J.' 4 +23 'Unge, T.' 4 +# +_cell.entry_id 1CBS +_cell.length_a 45.650 +_cell.length_b 47.560 +_cell.length_c 77.610 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 90.00 +_cell.Z_PDB 4 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1CBS +_symmetry.space_group_name_H-M 'P 21 21 21' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 19 +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer man 'CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II' 15581.802 1 ? ? ? ? +2 non-polymer syn 'RETINOIC ACID' 300.435 1 ? ? ? ? +3 water nat water 18.015 100 ? ? ? ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code +;PNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRP +CKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE +; +_entity_poly.pdbx_seq_one_letter_code_can +;PNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRP +CKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE +; +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 PRO n +1 2 ASN n +1 3 PHE n +1 4 SER n +1 5 GLY n +1 6 ASN n +1 7 TRP n +1 8 LYS n +1 9 ILE n +1 10 ILE n +1 11 ARG n +1 12 SER n +1 13 GLU n +1 14 ASN n +1 15 PHE n +1 16 GLU n +1 17 GLU n +1 18 LEU n +1 19 LEU n +1 20 LYS n +1 21 VAL n +1 22 LEU n +1 23 GLY n +1 24 VAL n +1 25 ASN n +1 26 VAL n +1 27 MET n +1 28 LEU n +1 29 ARG n +1 30 LYS n +1 31 ILE n +1 32 ALA n +1 33 VAL n +1 34 ALA n +1 35 ALA n +1 36 ALA n +1 37 SER n +1 38 LYS n +1 39 PRO n +1 40 ALA n +1 41 VAL n +1 42 GLU n +1 43 ILE n +1 44 LYS n +1 45 GLN n +1 46 GLU n +1 47 GLY n +1 48 ASP n +1 49 THR n +1 50 PHE n +1 51 TYR n +1 52 ILE n +1 53 LYS n +1 54 THR n +1 55 SER n +1 56 THR n +1 57 THR n +1 58 VAL n +1 59 ARG n +1 60 THR n +1 61 THR n +1 62 GLU n +1 63 ILE n +1 64 ASN n +1 65 PHE n +1 66 LYS n +1 67 VAL n +1 68 GLY n +1 69 GLU n +1 70 GLU n +1 71 PHE n +1 72 GLU n +1 73 GLU n +1 74 GLN n +1 75 THR n +1 76 VAL n +1 77 ASP n +1 78 GLY n +1 79 ARG n +1 80 PRO n +1 81 CYS n +1 82 LYS n +1 83 SER n +1 84 LEU n +1 85 VAL n +1 86 LYS n +1 87 TRP n +1 88 GLU n +1 89 SER n +1 90 GLU n +1 91 ASN n +1 92 LYS n +1 93 MET n +1 94 VAL n +1 95 CYS n +1 96 GLU n +1 97 GLN n +1 98 LYS n +1 99 LEU n +1 100 LEU n +1 101 LYS n +1 102 GLY n +1 103 GLU n +1 104 GLY n +1 105 PRO n +1 106 LYS n +1 107 THR n +1 108 SER n +1 109 TRP n +1 110 THR n +1 111 ARG n +1 112 GLU n +1 113 LEU n +1 114 THR n +1 115 ASN n +1 116 ASP n +1 117 GLY n +1 118 GLU n +1 119 LEU n +1 120 ILE n +1 121 LEU n +1 122 THR n +1 123 MET n +1 124 THR n +1 125 ALA n +1 126 ASP n +1 127 ASP n +1 128 VAL n +1 129 VAL n +1 130 CYS n +1 131 THR n +1 132 ARG n +1 133 VAL n +1 134 TYR n +1 135 VAL n +1 136 ARG n +1 137 GLU n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_alt_source_flag sample +_entity_src_gen.pdbx_seq_type ? +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? +_entity_src_gen.gene_src_common_name human +_entity_src_gen.gene_src_genus Homo +_entity_src_gen.pdbx_gene_src_gene 'HUMAN CRABP-II' +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain ? +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 +_entity_src_gen.pdbx_gene_src_variant ? +_entity_src_gen.pdbx_gene_src_cell_line BL21 +_entity_src_gen.pdbx_gene_src_atcc ? +_entity_src_gen.pdbx_gene_src_organ ? +_entity_src_gen.pdbx_gene_src_organelle ? +_entity_src_gen.pdbx_gene_src_cell ? +_entity_src_gen.pdbx_gene_src_cellular_location ? +_entity_src_gen.host_org_common_name ? +_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli BL21(DE3)' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008 +_entity_src_gen.host_org_genus Escherichia +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species 'Escherichia coli' +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain 'BL21 (DE3)' +_entity_src_gen.pdbx_host_org_variant ? +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type ? +_entity_src_gen.pdbx_host_org_vector ? +_entity_src_gen.host_org_details ? +_entity_src_gen.expression_system_id ? +_entity_src_gen.plasmid_name PET-3A +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code RABP2_HUMAN +_struct_ref.entity_id 1 +_struct_ref.pdbx_db_accession P29373 +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_seq_one_letter_code +;PNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRP +CKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE +; +_struct_ref.pdbx_db_isoform ? +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1CBS +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 137 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession P29373 +_struct_ref_seq.db_align_beg 1 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 137 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 137 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HOH non-polymer . WATER ? 'H2 O' 18.015 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +REA non-polymer . 'RETINOIC ACID' ? 'C20 H28 O2' 300.435 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +# +_exptl.entry_id 1CBS +_exptl.method 'X-ray diffraction' +_exptl.crystals_number ? +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 2.70 +_exptl_crystal.density_percent_sol 54.49 +_exptl_crystal.description ? +# +_diffrn.id 1 +_diffrn.ambient_temp ? +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l ? +_diffrn_radiation.monochromator ? +_diffrn_radiation.pdbx_diffrn_protocol ? +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength . +_diffrn_radiation_wavelength.wt 1.0 +# +_reflns.entry_id 1CBS +_reflns.observed_criterion_sigma_I 3. +_reflns.observed_criterion_sigma_F ? +_reflns.d_resolution_low ? +_reflns.d_resolution_high ? +_reflns.number_obs 14678 +_reflns.number_all ? +_reflns.percent_possible_obs 90.3 +_reflns.pdbx_Rmerge_I_obs ? +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI ? +_reflns.B_iso_Wilson_estimate ? +_reflns.pdbx_redundancy ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +# +_refine.entry_id 1CBS +_refine.ls_number_reflns_obs 14312 +_refine.ls_number_reflns_all ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 2. +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_d_res_low 8.0 +_refine.ls_d_res_high 1.8 +_refine.ls_percent_reflns_obs 90.3 +_refine.ls_R_factor_obs 0.2000000 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_R_work 0.2000000 +_refine.ls_R_factor_R_free 0.2370000 +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_number_reflns_R_free ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.B_iso_mean 16.6 +_refine.aniso_B[1][1] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[3][3] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][3] ? +_refine.solvent_model_details ? +_refine.solvent_model_param_ksol ? +_refine.solvent_model_param_bsol ? +_refine.pdbx_ls_cross_valid_method ? +_refine.details ? +_refine.pdbx_starting_model ? +_refine.pdbx_method_to_determine_struct ? +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.overall_SU_ML ? +_refine.overall_SU_B ? +_refine.pdbx_refine_id 'X-ray diffraction' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.pdbx_overall_phase_error ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_analyze.entry_id 1CBS +_refine_analyze.Luzzati_coordinate_error_obs 0.2 +_refine_analyze.Luzzati_sigma_a_obs ? +_refine_analyze.Luzzati_d_res_low_obs ? +_refine_analyze.Luzzati_coordinate_error_free ? +_refine_analyze.Luzzati_sigma_a_free ? +_refine_analyze.Luzzati_d_res_low_free ? +_refine_analyze.number_disordered_residues ? +_refine_analyze.occupancy_sum_hydrogen ? +_refine_analyze.occupancy_sum_non_hydrogen ? +_refine_analyze.pdbx_refine_id 'X-ray diffraction' +# +_refine_hist.pdbx_refine_id 'X-ray diffraction' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 1091 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 22 +_refine_hist.number_atoms_solvent 100 +_refine_hist.number_atoms_total 1213 +_refine_hist.d_res_high 1.8 +_refine_hist.d_res_low 8.0 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +'x_bond_d' 0.010 ? ? ? 'X-ray diffraction' ? +'x_bond_d_na' ? ? ? ? 'X-ray diffraction' ? +'x_bond_d_prot' ? ? ? ? 'X-ray diffraction' ? +'x_angle_d' ? ? ? ? 'X-ray diffraction' ? +'x_angle_d_na' ? ? ? ? 'X-ray diffraction' ? +'x_angle_d_prot' ? ? ? ? 'X-ray diffraction' ? +'x_angle_deg' 1.51 ? ? ? 'X-ray diffraction' ? +'x_angle_deg_na' ? ? ? ? 'X-ray diffraction' ? +'x_angle_deg_prot' ? ? ? ? 'X-ray diffraction' ? +'x_dihedral_angle_d' 27.4 ? ? ? 'X-ray diffraction' ? +'x_dihedral_angle_d_na' ? ? ? ? 'X-ray diffraction' ? +'x_dihedral_angle_d_prot' ? ? ? ? 'X-ray diffraction' ? +'x_improper_angle_d' 1.32 ? ? ? 'X-ray diffraction' ? +'x_improper_angle_d_na' ? ? ? ? 'X-ray diffraction' ? +'x_improper_angle_d_prot' ? ? ? ? 'X-ray diffraction' ? +'x_mcbond_it' ? ? ? ? 'X-ray diffraction' ? +'x_mcangle_it' ? ? ? ? 'X-ray diffraction' ? +'x_scbond_it' ? ? ? ? 'X-ray diffraction' ? +'x_scangle_it' ? ? ? ? 'X-ray diffraction' ? +# +_struct.entry_id 1CBS +_struct.title +;CRYSTAL STRUCTURE OF CELLULAR RETINOIC-ACID-BINDING PROTEINS I AND II IN COMPLEX WITH ALL-TRANS-RETINOIC ACID AND A SYNTHETIC RETINOID +; +_struct.pdbx_descriptor +'CELLULAR RETINOIC-ACID-BINDING PROTEIN TYPE II COMPLEXED WITH ALL-TRANS-RETINOIC ACID (THE PRESUMED PHYSIOLOGICAL LIGAND)' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1CBS +_struct_keywords.pdbx_keywords 'RETINOIC-ACID TRANSPORT' +_struct_keywords.text 'RETINOIC-ACID TRANSPORT' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 3 ? +# +_struct_biol.id 1 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 1 ASN A 14 ? LEU A 22 ? ASN A 14 LEU A 22 1 ? 9 +HELX_P HELX_P2 2 ASN A 25 ? SER A 37 ? ASN A 25 SER A 37 1 ? 13 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +_struct_sheet.id A +_struct_sheet.type ? +_struct_sheet.number_strands 10 +_struct_sheet.details ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 ? anti-parallel +A 2 3 ? anti-parallel +A 3 4 ? anti-parallel +A 4 5 ? anti-parallel +A 5 6 ? anti-parallel +A 6 7 ? anti-parallel +A 7 8 ? anti-parallel +A 8 9 ? anti-parallel +A 9 10 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +A 1 THR A 60 ? LYS A 66 ? THR A 60 LYS A 66 +A 2 THR A 49 ? SER A 55 ? THR A 49 SER A 55 +A 3 ALA A 40 ? GLU A 46 ? ALA A 40 GLU A 46 +A 4 GLY A 5 ? GLU A 13 ? GLY A 5 GLU A 13 +A 5 VAL A 128 ? ARG A 136 ? VAL A 128 ARG A 136 +A 6 LEU A 119 ? ALA A 125 ? LEU A 119 ALA A 125 +A 7 THR A 107 ? LEU A 113 ? THR A 107 LEU A 113 +A 8 LYS A 92 ? LEU A 99 ? LYS A 92 LEU A 99 +A 9 PRO A 80 ? SER A 89 ? PRO A 80 SER A 89 +A 10 PHE A 71 ? GLN A 74 ? PHE A 71 GLN A 74 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 O PHE A 65 ? O PHE A 65 N PHE A 50 ? N PHE A 50 +A 2 3 N SER A 55 ? N SER A 55 O ALA A 40 ? O ALA A 40 +A 3 4 N ILE A 43 ? N ILE A 43 O GLY A 5 ? O GLY A 5 +A 4 5 N GLU A 13 ? N GLU A 13 O THR A 131 ? O THR A 131 +A 5 6 N TYR A 134 ? N TYR A 134 O LEU A 119 ? O LEU A 119 +A 6 7 N THR A 124 ? N THR A 124 O SER A 108 ? O SER A 108 +A 7 8 O ARG A 111 ? O ARG A 111 N MET A 93 ? N MET A 93 +A 8 9 O LYS A 98 ? O LYS A 98 N LYS A 82 ? N LYS A 82 +A 9 10 N SER A 83 ? N SER A 83 O PHE A 71 ? O PHE A 71 +# +_struct_site.id AC1 +_struct_site.pdbx_evidence_code Software +_struct_site.pdbx_auth_asym_id ? +_struct_site.pdbx_auth_comp_id ? +_struct_site.pdbx_auth_seq_id ? +_struct_site.pdbx_auth_ins_code ? +_struct_site.pdbx_num_residues 10 +_struct_site.details 'BINDING SITE FOR RESIDUE REA A 200' +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 10 GLU A 13 ? GLU A 13 . ? 3_655 ? +2 AC1 10 ALA A 32 ? ALA A 32 . ? 1_555 ? +3 AC1 10 THR A 54 ? THR A 54 . ? 1_555 ? +4 AC1 10 VAL A 58 ? VAL A 58 . ? 1_555 ? +5 AC1 10 VAL A 76 ? VAL A 76 . ? 1_555 ? +6 AC1 10 LEU A 121 ? LEU A 121 . ? 1_555 ? +7 AC1 10 ARG A 132 ? ARG A 132 . ? 1_555 ? +8 AC1 10 TYR A 134 ? TYR A 134 . ? 1_555 ? +9 AC1 10 HOH C . ? HOH A 309 . ? 1_555 ? +10 AC1 10 HOH C . ? HOH A 343 . ? 1_555 ? +# +_atom_sites.entry_id 1CBS +_atom_sites.fract_transf_matrix[1][1] 0.021906 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.021026 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.012885 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +N +O +S +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +_atom_site.pdbx_label_index +_atom_site.pdbx_sifts_xref_db_name +_atom_site.pdbx_sifts_xref_db_acc +_atom_site.pdbx_sifts_xref_db_num +_atom_site.pdbx_sifts_xref_db_res +ATOM 1 N N . PRO A 1 1 ? 16.979 13.301 44.555 1.00 30.05 ? 1 PRO A N 1 1 UNP P29373 2 P +ATOM 2 C CA . PRO A 1 1 ? 18.150 13.525 43.680 1.00 28.82 ? 1 PRO A CA 1 1 UNP P29373 2 P +ATOM 3 C C . PRO A 1 1 ? 18.656 14.966 43.784 1.00 26.59 ? 1 PRO A C 1 1 UNP P29373 2 P +ATOM 4 O O . PRO A 1 1 ? 17.890 15.889 44.078 1.00 26.84 ? 1 PRO A O 1 1 UNP P29373 2 P +ATOM 5 C CB . PRO A 1 1 ? 17.678 13.270 42.255 1.00 29.24 ? 1 PRO A CB 1 1 UNP P29373 2 P +ATOM 6 C CG . PRO A 1 1 ? 16.248 13.734 42.347 1.00 29.29 ? 1 PRO A CG 1 1 UNP P29373 2 P +ATOM 7 C CD . PRO A 1 1 ? 15.762 13.216 43.724 1.00 30.71 ? 1 PRO A CD 1 1 UNP P29373 2 P +ATOM 8 N N . ASN A 1 2 ? 19.957 15.139 43.558 1.00 24.04 ? 2 ASN A N 1 2 UNP P29373 3 N +ATOM 9 C CA . ASN A 1 2 ? 20.576 16.457 43.578 1.00 20.79 ? 2 ASN A CA 1 2 UNP P29373 3 N +ATOM 10 C C . ASN A 1 2 ? 21.301 16.714 42.262 1.00 16.75 ? 2 ASN A C 1 2 UNP P29373 3 N +ATOM 11 O O . ASN A 1 2 ? 22.402 16.215 42.028 1.00 15.23 ? 2 ASN A O 1 2 UNP P29373 3 N +ATOM 12 C CB . ASN A 1 2 ? 21.559 16.620 44.724 1.00 22.81 ? 2 ASN A CB 1 2 UNP P29373 3 N +ATOM 13 C CG . ASN A 1 2 ? 22.240 17.968 44.685 1.00 24.29 ? 2 ASN A CG 1 2 UNP P29373 3 N +ATOM 14 O OD1 . ASN A 1 2 ? 21.612 18.984 44.358 1.00 21.87 ? 2 ASN A OD1 1 2 UNP P29373 3 N +ATOM 15 N ND2 . ASN A 1 2 ? 23.537 17.983 44.966 1.00 27.94 ? 2 ASN A ND2 1 2 UNP P29373 3 N +ATOM 16 N N . PHE A 1 3 ? 20.637 17.477 41.402 1.00 14.69 ? 3 PHE A N 1 3 UNP P29373 4 F +ATOM 17 C CA . PHE A 1 3 ? 21.144 17.838 40.087 1.00 12.62 ? 3 PHE A CA 1 3 UNP P29373 4 F +ATOM 18 C C . PHE A 1 3 ? 22.152 18.987 40.140 1.00 12.43 ? 3 PHE A C 1 3 UNP P29373 4 F +ATOM 19 O O . PHE A 1 3 ? 22.796 19.289 39.136 1.00 12.12 ? 3 PHE A O 1 3 UNP P29373 4 F +ATOM 20 C CB . PHE A 1 3 ? 19.970 18.262 39.188 1.00 10.74 ? 3 PHE A CB 1 3 UNP P29373 4 F +ATOM 21 C CG . PHE A 1 3 ? 19.073 17.128 38.750 1.00 11.85 ? 3 PHE A CG 1 3 UNP P29373 4 F +ATOM 22 C CD1 . PHE A 1 3 ? 18.066 16.646 39.581 1.00 10.90 ? 3 PHE A CD1 1 3 UNP P29373 4 F +ATOM 23 C CD2 . PHE A 1 3 ? 19.189 16.588 37.475 1.00 13.26 ? 3 PHE A CD2 1 3 UNP P29373 4 F +ATOM 24 C CE1 . PHE A 1 3 ? 17.200 15.662 39.149 1.00 9.12 ? 3 PHE A CE1 1 3 UNP P29373 4 F +ATOM 25 C CE2 . PHE A 1 3 ? 18.312 15.594 37.041 1.00 11.76 ? 3 PHE A CE2 1 3 UNP P29373 4 F +ATOM 26 C CZ . PHE A 1 3 ? 17.324 15.137 37.878 1.00 10.30 ? 3 PHE A CZ 1 3 UNP P29373 4 F +ATOM 27 N N . SER A 1 4 ? 22.282 19.630 41.299 1.00 11.24 ? 4 SER A N 1 4 UNP P29373 5 S +ATOM 28 C CA . SER A 1 4 ? 23.170 20.780 41.464 1.00 11.30 ? 4 SER A CA 1 4 UNP P29373 5 S +ATOM 29 C C . SER A 1 4 ? 24.627 20.568 41.091 1.00 10.39 ? 4 SER A C 1 4 UNP P29373 5 S +ATOM 30 O O . SER A 1 4 ? 25.201 19.532 41.384 1.00 10.24 ? 4 SER A O 1 4 UNP P29373 5 S +ATOM 31 C CB . SER A 1 4 ? 23.112 21.301 42.906 1.00 13.53 ? 4 SER A CB 1 4 UNP P29373 5 S +ATOM 32 O OG . SER A 1 4 ? 21.821 21.787 43.240 1.00 16.76 ? 4 SER A OG 1 4 UNP P29373 5 S +ATOM 33 N N . GLY A 1 5 ? 25.224 21.572 40.460 1.00 9.87 ? 5 GLY A N 1 5 UNP P29373 6 G +ATOM 34 C CA . GLY A 1 5 ? 26.628 21.486 40.103 1.00 10.86 ? 5 GLY A CA 1 5 UNP P29373 6 G +ATOM 35 C C . GLY A 1 5 ? 26.985 22.158 38.794 1.00 11.21 ? 5 GLY A C 1 5 UNP P29373 6 G +ATOM 36 O O . GLY A 1 5 ? 26.123 22.761 38.142 1.00 9.91 ? 5 GLY A O 1 5 UNP P29373 6 G +ATOM 37 N N . ASN A 1 6 ? 28.277 22.142 38.475 1.00 10.41 ? 6 ASN A N 1 6 UNP P29373 7 N +ATOM 38 C CA . ASN A 1 6 ? 28.796 22.676 37.211 1.00 11.06 ? 6 ASN A CA 1 6 UNP P29373 7 N +ATOM 39 C C . ASN A 1 6 ? 29.117 21.435 36.378 1.00 10.33 ? 6 ASN A C 1 6 UNP P29373 7 N +ATOM 40 O O . ASN A 1 6 ? 29.947 20.603 36.754 1.00 11.28 ? 6 ASN A O 1 6 UNP P29373 7 N +ATOM 41 C CB . ASN A 1 6 ? 30.023 23.548 37.445 1.00 12.95 ? 6 ASN A CB 1 6 UNP P29373 7 N +ATOM 42 C CG . ASN A 1 6 ? 29.675 24.816 38.200 1.00 18.08 ? 6 ASN A CG 1 6 UNP P29373 7 N +ATOM 43 O OD1 . ASN A 1 6 ? 29.022 25.708 37.665 1.00 19.52 ? 6 ASN A OD1 1 6 UNP P29373 7 N +ATOM 44 N ND2 . ASN A 1 6 ? 30.047 24.872 39.467 1.00 21.23 ? 6 ASN A ND2 1 6 UNP P29373 7 N +ATOM 45 N N . TRP A 1 7 ? 28.399 21.289 35.272 1.00 8.66 ? 7 TRP A N 1 7 UNP P29373 8 W +ATOM 46 C CA . TRP A 1 7 ? 28.518 20.119 34.424 1.00 8.74 ? 7 TRP A CA 1 7 UNP P29373 8 W +ATOM 47 C C . TRP A 1 7 ? 29.246 20.352 33.092 1.00 9.63 ? 7 TRP A C 1 7 UNP P29373 8 W +ATOM 48 O O . TRP A 1 7 ? 29.064 21.389 32.440 1.00 9.45 ? 7 TRP A O 1 7 UNP P29373 8 W +ATOM 49 C CB . TRP A 1 7 ? 27.115 19.563 34.152 1.00 8.00 ? 7 TRP A CB 1 7 UNP P29373 8 W +ATOM 50 C CG . TRP A 1 7 ? 26.325 19.198 35.391 1.00 8.01 ? 7 TRP A CG 1 7 UNP P29373 8 W +ATOM 51 C CD1 . TRP A 1 7 ? 25.556 20.031 36.159 1.00 8.29 ? 7 TRP A CD1 1 7 UNP P29373 8 W +ATOM 52 C CD2 . TRP A 1 7 ? 26.174 17.885 35.947 1.00 7.60 ? 7 TRP A CD2 1 7 UNP P29373 8 W +ATOM 53 N NE1 . TRP A 1 7 ? 24.922 19.308 37.156 1.00 9.20 ? 7 TRP A NE1 1 7 UNP P29373 8 W +ATOM 54 C CE2 . TRP A 1 7 ? 25.286 17.987 37.046 1.00 8.73 ? 7 TRP A CE2 1 7 UNP P29373 8 W +ATOM 55 C CE3 . TRP A 1 7 ? 26.694 16.625 35.618 1.00 6.99 ? 7 TRP A CE3 1 7 UNP P29373 8 W +ATOM 56 C CZ2 . TRP A 1 7 ? 24.909 16.876 37.815 1.00 7.67 ? 7 TRP A CZ2 1 7 UNP P29373 8 W +ATOM 57 C CZ3 . TRP A 1 7 ? 26.320 15.527 36.380 1.00 7.58 ? 7 TRP A CZ3 1 7 UNP P29373 8 W +ATOM 58 C CH2 . TRP A 1 7 ? 25.433 15.663 37.468 1.00 5.92 ? 7 TRP A CH2 1 7 UNP P29373 8 W +ATOM 59 N N . LYS A 1 8 ? 30.052 19.368 32.702 1.00 9.39 ? 8 LYS A N 1 8 UNP P29373 9 K +ATOM 60 C CA . LYS A 1 8 ? 30.802 19.424 31.450 1.00 11.56 ? 8 LYS A CA 1 8 UNP P29373 9 K +ATOM 61 C C . LYS A 1 8 ? 30.342 18.243 30.611 1.00 10.56 ? 8 LYS A C 1 8 UNP P29373 9 K +ATOM 62 O O . LYS A 1 8 ? 30.091 17.158 31.138 1.00 10.14 ? 8 LYS A O 1 8 UNP P29373 9 K +ATOM 63 C CB . LYS A 1 8 ? 32.308 19.360 31.710 1.00 15.20 ? 8 LYS A CB 1 8 UNP P29373 9 K +ATOM 64 C CG . LYS A 1 8 ? 32.785 18.080 32.313 1.00 18.52 ? 8 LYS A CG 1 8 UNP P29373 9 K +ATOM 65 C CD . LYS A 1 8 ? 34.263 18.182 32.618 1.00 26.26 ? 8 LYS A CD 1 8 UNP P29373 9 K +ATOM 66 C CE . LYS A 1 8 ? 35.091 18.499 31.378 1.00 29.22 ? 8 LYS A CE 1 8 UNP P29373 9 K +ATOM 67 N NZ . LYS A 1 8 ? 35.067 17.393 30.369 1.00 32.48 ? 8 LYS A NZ 1 8 UNP P29373 9 K +ATOM 68 N N . ILE A 1 9 ? 30.222 18.447 29.308 1.00 8.21 ? 9 ILE A N 1 9 UNP P29373 10 I +ATOM 69 C CA . ILE A 1 9 ? 29.739 17.384 28.441 1.00 8.08 ? 9 ILE A CA 1 9 UNP P29373 10 I +ATOM 70 C C . ILE A 1 9 ? 30.798 16.325 28.117 1.00 7.86 ? 9 ILE A C 1 9 UNP P29373 10 I +ATOM 71 O O . ILE A 1 9 ? 31.990 16.635 28.028 1.00 8.38 ? 9 ILE A O 1 9 UNP P29373 10 I +ATOM 72 C CB . ILE A 1 9 ? 29.148 17.997 27.144 1.00 10.70 ? 9 ILE A CB 1 9 UNP P29373 10 I +ATOM 73 C CG1 . ILE A 1 9 ? 28.285 16.981 26.401 1.00 10.95 ? 9 ILE A CG1 1 9 UNP P29373 10 I +ATOM 74 C CG2 . ILE A 1 9 ? 30.261 18.500 26.243 1.00 10.70 ? 9 ILE A CG2 1 9 UNP P29373 10 I +ATOM 75 C CD1 . ILE A 1 9 ? 27.586 17.597 25.207 1.00 13.23 ? 9 ILE A CD1 1 9 UNP P29373 10 I +ATOM 76 N N . ILE A 1 10 ? 30.373 15.067 27.995 1.00 7.08 ? 10 ILE A N 1 10 UNP P29373 11 I +ATOM 77 C CA . ILE A 1 10 ? 31.288 13.988 27.656 1.00 7.45 ? 10 ILE A CA 1 10 UNP P29373 11 I +ATOM 78 C C . ILE A 1 10 ? 30.812 13.201 26.441 1.00 8.49 ? 10 ILE A C 1 10 UNP P29373 11 I +ATOM 79 O O . ILE A 1 10 ? 31.561 12.397 25.892 1.00 9.49 ? 10 ILE A O 1 10 UNP P29373 11 I +ATOM 80 C CB . ILE A 1 10 ? 31.586 13.023 28.847 1.00 10.28 ? 10 ILE A CB 1 10 UNP P29373 11 I +ATOM 81 C CG1 . ILE A 1 10 ? 30.304 12.393 29.382 1.00 10.51 ? 10 ILE A CG1 1 10 UNP P29373 11 I +ATOM 82 C CG2 . ILE A 1 10 ? 32.349 13.756 29.963 1.00 10.10 ? 10 ILE A CG2 1 10 UNP P29373 11 I +ATOM 83 C CD1 . ILE A 1 10 ? 30.578 11.242 30.325 1.00 12.18 ? 10 ILE A CD1 1 10 UNP P29373 11 I +ATOM 84 N N . ARG A 1 11 ? 29.566 13.419 26.030 1.00 7.59 ? 11 ARG A N 1 11 UNP P29373 12 R +ATOM 85 C CA . ARG A 1 11 ? 29.015 12.742 24.851 1.00 8.70 ? 11 ARG A CA 1 11 UNP P29373 12 R +ATOM 86 C C . ARG A 1 11 ? 27.821 13.500 24.290 1.00 9.41 ? 11 ARG A C 1 11 UNP P29373 12 R +ATOM 87 O O . ARG A 1 11 ? 26.990 14.004 25.043 1.00 9.84 ? 11 ARG A O 1 11 UNP P29373 12 R +ATOM 88 C CB . ARG A 1 11 ? 28.563 11.316 25.184 1.00 8.07 ? 11 ARG A CB 1 11 UNP P29373 12 R +ATOM 89 C CG . ARG A 1 11 ? 27.912 10.616 23.998 1.00 12.26 ? 11 ARG A CG 1 11 UNP P29373 12 R +ATOM 90 C CD . ARG A 1 11 ? 27.234 9.340 24.394 1.00 13.46 ? 11 ARG A CD 1 11 UNP P29373 12 R +ATOM 91 N NE . ARG A 1 11 ? 28.157 8.304 24.847 1.00 15.44 ? 11 ARG A NE 1 11 UNP P29373 12 R +ATOM 92 C CZ . ARG A 1 11 ? 28.815 7.470 24.037 1.00 19.59 ? 11 ARG A CZ 1 11 UNP P29373 12 R +ATOM 93 N NH1 . ARG A 1 11 ? 28.677 7.559 22.714 1.00 19.40 ? 11 ARG A NH1 1 11 UNP P29373 12 R +ATOM 94 N NH2 . ARG A 1 11 ? 29.521 6.467 24.547 1.00 17.50 ? 11 ARG A NH2 1 11 UNP P29373 12 R +ATOM 95 N N . SER A 1 12 ? 27.748 13.594 22.965 1.00 8.84 ? 12 SER A N 1 12 UNP P29373 13 S +ATOM 96 C CA . SER A 1 12 ? 26.621 14.245 22.310 1.00 8.61 ? 12 SER A CA 1 12 UNP P29373 13 S +ATOM 97 C C . SER A 1 12 ? 26.278 13.431 21.063 1.00 9.48 ? 12 SER A C 1 12 UNP P29373 13 S +ATOM 98 O O . SER A 1 12 ? 27.159 13.147 20.250 1.00 9.84 ? 12 SER A O 1 12 UNP P29373 13 S +ATOM 99 C CB . SER A 1 12 ? 26.966 15.676 21.925 1.00 9.02 ? 12 SER A CB 1 12 UNP P29373 13 S +ATOM 100 O OG . SER A 1 12 ? 25.863 16.285 21.273 1.00 11.97 ? 12 SER A OG 1 12 UNP P29373 13 S +ATOM 101 N N . GLU A 1 13 ? 25.016 13.038 20.924 1.00 7.59 ? 13 GLU A N 1 13 UNP P29373 14 E +ATOM 102 C CA . GLU A 1 13 ? 24.586 12.258 19.768 1.00 9.67 ? 13 GLU A CA 1 13 UNP P29373 14 E +ATOM 103 C C . GLU A 1 13 ? 23.368 12.887 19.118 1.00 9.06 ? 13 GLU A C 1 13 UNP P29373 14 E +ATOM 104 O O . GLU A 1 13 ? 22.457 13.343 19.815 1.00 7.34 ? 13 GLU A O 1 13 UNP P29373 14 E +ATOM 105 C CB . GLU A 1 13 ? 24.185 10.833 20.184 1.00 9.72 ? 13 GLU A CB 1 13 UNP P29373 14 E +ATOM 106 C CG . GLU A 1 13 ? 25.257 10.018 20.895 1.00 15.17 ? 13 GLU A CG 1 13 UNP P29373 14 E +ATOM 107 C CD . GLU A 1 13 ? 26.262 9.340 19.954 1.00 18.75 ? 13 GLU A CD 1 13 UNP P29373 14 E +ATOM 108 O OE1 . GLU A 1 13 ? 26.031 9.310 18.726 1.00 18.53 ? 13 GLU A OE1 1 13 UNP P29373 14 E +ATOM 109 O OE2 . GLU A 1 13 ? 27.286 8.822 20.457 1.00 19.23 ? 13 GLU A OE2 1 13 UNP P29373 14 E +ATOM 110 N N . ASN A 1 14 ? 23.363 12.919 17.786 1.00 8.79 ? 14 ASN A N 1 14 UNP P29373 15 N +ATOM 111 C CA . ASN A 1 14 ? 22.202 13.408 17.025 1.00 8.29 ? 14 ASN A CA 1 14 UNP P29373 15 N +ATOM 112 C C . ASN A 1 14 ? 21.813 14.896 17.153 1.00 7.35 ? 14 ASN A C 1 14 UNP P29373 15 N +ATOM 113 O O . ASN A 1 14 ? 20.681 15.245 16.860 1.00 7.00 ? 14 ASN A O 1 14 UNP P29373 15 N +ATOM 114 C CB . ASN A 1 14 ? 20.989 12.522 17.383 1.00 7.23 ? 14 ASN A CB 1 14 UNP P29373 15 N +ATOM 115 C CG . ASN A 1 14 ? 20.358 11.833 16.172 1.00 9.38 ? 14 ASN A CG 1 14 UNP P29373 15 N +ATOM 116 O OD1 . ASN A 1 14 ? 20.996 11.670 15.128 1.00 10.37 ? 14 ASN A OD1 1 14 UNP P29373 15 N +ATOM 117 N ND2 . ASN A 1 14 ? 19.106 11.436 16.310 1.00 6.35 ? 14 ASN A ND2 1 14 UNP P29373 15 N +ATOM 118 N N . PHE A 1 15 ? 22.734 15.777 17.536 1.00 7.26 ? 15 PHE A N 1 15 UNP P29373 16 F +ATOM 119 C CA . PHE A 1 15 ? 22.385 17.198 17.681 1.00 9.06 ? 15 PHE A CA 1 15 UNP P29373 16 F +ATOM 120 C C . PHE A 1 15 ? 22.041 17.878 16.358 1.00 9.15 ? 15 PHE A C 1 15 UNP P29373 16 F +ATOM 121 O O . PHE A 1 15 ? 21.041 18.578 16.265 1.00 8.64 ? 15 PHE A O 1 15 UNP P29373 16 F +ATOM 122 C CB . PHE A 1 15 ? 23.497 17.990 18.379 1.00 10.05 ? 15 PHE A CB 1 15 UNP P29373 16 F +ATOM 123 C CG . PHE A 1 15 ? 23.102 19.397 18.746 1.00 10.57 ? 15 PHE A CG 1 15 UNP P29373 16 F +ATOM 124 C CD1 . PHE A 1 15 ? 22.032 19.633 19.605 1.00 13.39 ? 15 PHE A CD1 1 15 UNP P29373 16 F +ATOM 125 C CD2 . PHE A 1 15 ? 23.813 20.485 18.254 1.00 11.47 ? 15 PHE A CD2 1 15 UNP P29373 16 F +ATOM 126 C CE1 . PHE A 1 15 ? 21.678 20.929 19.968 1.00 13.52 ? 15 PHE A CE1 1 15 UNP P29373 16 F +ATOM 127 C CE2 . PHE A 1 15 ? 23.467 21.784 18.609 1.00 11.60 ? 15 PHE A CE2 1 15 UNP P29373 16 F +ATOM 128 C CZ . PHE A 1 15 ? 22.399 22.006 19.469 1.00 13.52 ? 15 PHE A CZ 1 15 UNP P29373 16 F +ATOM 129 N N . GLU A 1 16 ? 22.878 17.699 15.342 1.00 11.17 ? 16 GLU A N 1 16 UNP P29373 17 E +ATOM 130 C CA . GLU A 1 16 ? 22.583 18.313 14.053 1.00 12.58 ? 16 GLU A CA 1 16 UNP P29373 17 E +ATOM 131 C C . GLU A 1 16 ? 21.271 17.797 13.468 1.00 11.71 ? 16 GLU A C 1 16 UNP P29373 17 E +ATOM 132 O O . GLU A 1 16 ? 20.503 18.567 12.888 1.00 12.66 ? 16 GLU A O 1 16 UNP P29373 17 E +ATOM 133 C CB . GLU A 1 16 ? 23.711 18.081 13.060 1.00 15.91 ? 16 GLU A CB 1 16 UNP P29373 17 E +ATOM 134 C CG . GLU A 1 16 ? 23.274 18.337 11.626 1.00 21.31 ? 16 GLU A CG 1 16 UNP P29373 17 E +ATOM 135 C CD . GLU A 1 16 ? 24.376 18.878 10.757 1.00 25.39 ? 16 GLU A CD 1 16 UNP P29373 17 E +ATOM 136 O OE1 . GLU A 1 16 ? 25.526 18.984 11.240 1.00 27.92 ? 16 GLU A OE1 1 16 UNP P29373 17 E +ATOM 137 O OE2 . GLU A 1 16 ? 24.084 19.213 9.588 1.00 28.60 ? 16 GLU A OE2 1 16 UNP P29373 17 E +ATOM 138 N N . GLU A 1 17 ? 21.018 16.497 13.619 1.00 11.67 ? 17 GLU A N 1 17 UNP P29373 18 E +ATOM 139 C CA . GLU A 1 17 ? 19.785 15.878 13.116 1.00 13.65 ? 17 GLU A CA 1 17 UNP P29373 18 E +ATOM 140 C C . GLU A 1 17 ? 18.529 16.490 13.767 1.00 13.48 ? 17 GLU A C 1 17 UNP P29373 18 E +ATOM 141 O O . GLU A 1 17 ? 17.490 16.662 13.115 1.00 11.68 ? 17 GLU A O 1 17 UNP P29373 18 E +ATOM 142 C CB . GLU A 1 17 ? 19.811 14.361 13.325 1.00 17.06 ? 17 GLU A CB 1 17 UNP P29373 18 E +ATOM 143 C CG . GLU A 1 17 ? 20.806 13.602 12.430 1.00 23.45 ? 17 GLU A CG 1 17 UNP P29373 18 E +ATOM 144 C CD . GLU A 1 17 ? 22.279 13.624 12.909 1.00 27.80 ? 17 GLU A CD 1 17 UNP P29373 18 E +ATOM 145 O OE1 . GLU A 1 17 ? 22.637 14.338 13.881 1.00 26.52 ? 17 GLU A OE1 1 17 UNP P29373 18 E +ATOM 146 O OE2 . GLU A 1 17 ? 23.097 12.897 12.291 1.00 31.80 ? 17 GLU A OE2 1 17 UNP P29373 18 E +ATOM 147 N N . LEU A 1 18 ? 18.640 16.834 15.048 1.00 10.82 ? 18 LEU A N 1 18 UNP P29373 19 L +ATOM 148 C CA . LEU A 1 18 ? 17.547 17.468 15.777 1.00 9.45 ? 18 LEU A CA 1 18 UNP P29373 19 L +ATOM 149 C C . LEU A 1 18 ? 17.302 18.849 15.155 1.00 9.27 ? 18 LEU A C 1 18 UNP P29373 19 L +ATOM 150 O O . LEU A 1 18 ? 16.153 19.246 14.927 1.00 9.04 ? 18 LEU A O 1 18 UNP P29373 19 L +ATOM 151 C CB . LEU A 1 18 ? 17.931 17.644 17.253 1.00 9.77 ? 18 LEU A CB 1 18 UNP P29373 19 L +ATOM 152 C CG . LEU A 1 18 ? 16.921 18.358 18.163 1.00 11.36 ? 18 LEU A CG 1 18 UNP P29373 19 L +ATOM 153 C CD1 . LEU A 1 18 ? 15.817 17.402 18.554 1.00 13.85 ? 18 LEU A CD1 1 18 UNP P29373 19 L +ATOM 154 C CD2 . LEU A 1 18 ? 17.616 18.876 19.409 1.00 12.69 ? 18 LEU A CD2 1 18 UNP P29373 19 L +ATOM 155 N N . LEU A 1 19 ? 18.387 19.568 14.864 1.00 10.75 ? 19 LEU A N 1 19 UNP P29373 20 L +ATOM 156 C CA . LEU A 1 19 ? 18.275 20.906 14.276 1.00 11.15 ? 19 LEU A CA 1 19 UNP P29373 20 L +ATOM 157 C C . LEU A 1 19 ? 17.671 20.873 12.874 1.00 12.52 ? 19 LEU A C 1 19 UNP P29373 20 L +ATOM 158 O O . LEU A 1 19 ? 16.932 21.777 12.485 1.00 10.05 ? 19 LEU A O 1 19 UNP P29373 20 L +ATOM 159 C CB . LEU A 1 19 ? 19.631 21.616 14.263 1.00 12.01 ? 19 LEU A CB 1 19 UNP P29373 20 L +ATOM 160 C CG . LEU A 1 19 ? 20.282 21.963 15.614 1.00 10.42 ? 19 LEU A CG 1 19 UNP P29373 20 L +ATOM 161 C CD1 . LEU A 1 19 ? 21.560 22.763 15.369 1.00 13.01 ? 19 LEU A CD1 1 19 UNP P29373 20 L +ATOM 162 C CD2 . LEU A 1 19 ? 19.312 22.742 16.513 1.00 11.45 ? 19 LEU A CD2 1 19 UNP P29373 20 L +ATOM 163 N N . LYS A 1 20 ? 17.944 19.795 12.150 1.00 14.41 ? 20 LYS A N 1 20 UNP P29373 21 K +ATOM 164 C CA . LYS A 1 20 ? 17.427 19.628 10.800 1.00 16.54 ? 20 LYS A CA 1 20 UNP P29373 21 K +ATOM 165 C C . LYS A 1 20 ? 15.902 19.512 10.832 1.00 16.17 ? 20 LYS A C 1 20 UNP P29373 21 K +ATOM 166 O O . LYS A 1 20 ? 15.201 20.164 10.053 1.00 15.90 ? 20 LYS A O 1 20 UNP P29373 21 K +ATOM 167 C CB . LYS A 1 20 ? 18.048 18.390 10.157 1.00 20.07 ? 20 LYS A CB 1 20 UNP P29373 21 K +ATOM 168 C CG . LYS A 1 20 ? 18.592 18.643 8.765 1.00 26.61 ? 20 LYS A CG 1 20 UNP P29373 21 K +ATOM 169 C CD . LYS A 1 20 ? 18.960 17.349 8.027 1.00 30.95 ? 20 LYS A CD 1 20 UNP P29373 21 K +ATOM 170 C CE . LYS A 1 20 ? 20.226 16.690 8.579 1.00 35.68 ? 20 LYS A CE 1 20 UNP P29373 21 K +ATOM 171 N NZ . LYS A 1 20 ? 21.485 17.466 8.342 1.00 39.27 ? 20 LYS A NZ 1 20 UNP P29373 21 K +ATOM 172 N N . VAL A 1 21 ? 15.395 18.700 11.759 1.00 15.31 ? 21 VAL A N 1 21 UNP P29373 22 V +ATOM 173 C CA . VAL A 1 21 ? 13.958 18.508 11.927 1.00 14.41 ? 21 VAL A CA 1 21 UNP P29373 22 V +ATOM 174 C C . VAL A 1 21 ? 13.275 19.831 12.316 1.00 15.02 ? 21 VAL A C 1 21 UNP P29373 22 V +ATOM 175 O O . VAL A 1 21 ? 12.150 20.119 11.878 1.00 13.59 ? 21 VAL A O 1 21 UNP P29373 22 V +ATOM 176 C CB . VAL A 1 21 ? 13.674 17.422 12.998 1.00 14.93 ? 21 VAL A CB 1 21 UNP P29373 22 V +ATOM 177 C CG1 . VAL A 1 21 ? 12.194 17.383 13.364 1.00 17.29 ? 21 VAL A CG1 1 21 UNP P29373 22 V +ATOM 178 C CG2 . VAL A 1 21 ? 14.115 16.082 12.482 1.00 15.09 ? 21 VAL A CG2 1 21 UNP P29373 22 V +ATOM 179 N N . LEU A 1 22 ? 13.966 20.643 13.119 1.00 14.52 ? 22 LEU A N 1 22 UNP P29373 23 L +ATOM 180 C CA . LEU A 1 22 ? 13.432 21.938 13.569 1.00 14.42 ? 22 LEU A CA 1 22 UNP P29373 23 L +ATOM 181 C C . LEU A 1 22 ? 13.478 22.984 12.467 1.00 15.49 ? 22 LEU A C 1 22 UNP P29373 23 L +ATOM 182 O O . LEU A 1 22 ? 13.038 24.115 12.666 1.00 16.81 ? 22 LEU A O 1 22 UNP P29373 23 L +ATOM 183 C CB . LEU A 1 22 ? 14.180 22.440 14.818 1.00 13.61 ? 22 LEU A CB 1 22 UNP P29373 23 L +ATOM 184 C CG . LEU A 1 22 ? 13.986 21.565 16.069 1.00 13.97 ? 22 LEU A CG 1 22 UNP P29373 23 L +ATOM 185 C CD1 . LEU A 1 22 ? 14.852 22.047 17.225 1.00 13.25 ? 22 LEU A CD1 1 22 UNP P29373 23 L +ATOM 186 C CD2 . LEU A 1 22 ? 12.525 21.580 16.467 1.00 14.62 ? 22 LEU A CD2 1 22 UNP P29373 23 L +ATOM 187 N N . GLY A 1 23 ? 14.062 22.618 11.328 1.00 16.41 ? 23 GLY A N 1 23 UNP P29373 24 G +ATOM 188 C CA . GLY A 1 23 ? 14.123 23.516 10.183 1.00 17.05 ? 23 GLY A CA 1 23 UNP P29373 24 G +ATOM 189 C C . GLY A 1 23 ? 15.241 24.539 10.125 1.00 18.00 ? 23 GLY A C 1 23 UNP P29373 24 G +ATOM 190 O O . GLY A 1 23 ? 15.112 25.545 9.425 1.00 19.45 ? 23 GLY A O 1 23 UNP P29373 24 G +ATOM 191 N N . VAL A 1 24 ? 16.320 24.315 10.869 1.00 14.78 ? 24 VAL A N 1 24 UNP P29373 25 V +ATOM 192 C CA . VAL A 1 24 ? 17.440 25.241 10.860 1.00 13.71 ? 24 VAL A CA 1 24 UNP P29373 25 V +ATOM 193 C C . VAL A 1 24 ? 18.289 24.983 9.607 1.00 15.09 ? 24 VAL A C 1 24 UNP P29373 25 V +ATOM 194 O O . VAL A 1 24 ? 18.679 23.840 9.334 1.00 14.12 ? 24 VAL A O 1 24 UNP P29373 25 V +ATOM 195 C CB . VAL A 1 24 ? 18.297 25.081 12.139 1.00 12.19 ? 24 VAL A CB 1 24 UNP P29373 25 V +ATOM 196 C CG1 . VAL A 1 24 ? 19.465 26.054 12.109 1.00 8.69 ? 24 VAL A CG1 1 24 UNP P29373 25 V +ATOM 197 C CG2 . VAL A 1 24 ? 17.416 25.294 13.388 1.00 11.37 ? 24 VAL A CG2 1 24 UNP P29373 25 V +ATOM 198 N N . ASN A 1 25 ? 18.595 26.047 8.866 1.00 15.37 ? 25 ASN A N 1 25 UNP P29373 26 N +ATOM 199 C CA . ASN A 1 25 ? 19.360 25.914 7.635 1.00 17.74 ? 25 ASN A CA 1 25 UNP P29373 26 N +ATOM 200 C C . ASN A 1 25 ? 20.808 25.466 7.819 1.00 18.29 ? 25 ASN A C 1 25 UNP P29373 26 N +ATOM 201 O O . ASN A 1 25 ? 21.377 25.592 8.903 1.00 18.05 ? 25 ASN A O 1 25 UNP P29373 26 N +ATOM 202 C CB . ASN A 1 25 ? 19.230 27.172 6.742 1.00 19.41 ? 25 ASN A CB 1 25 UNP P29373 26 N +ATOM 203 C CG . ASN A 1 25 ? 20.090 28.351 7.200 1.00 22.35 ? 25 ASN A CG 1 25 UNP P29373 26 N +ATOM 204 O OD1 . ASN A 1 25 ? 21.207 28.189 7.698 1.00 22.64 ? 25 ASN A OD1 1 25 UNP P29373 26 N +ATOM 205 N ND2 . ASN A 1 25 ? 19.602 29.558 6.933 1.00 24.15 ? 25 ASN A ND2 1 25 UNP P29373 26 N +ATOM 206 N N . VAL A 1 26 ? 21.398 24.971 6.733 1.00 18.67 ? 26 VAL A N 1 26 UNP P29373 27 V +ATOM 207 C CA . VAL A 1 26 ? 22.755 24.444 6.742 1.00 19.24 ? 26 VAL A CA 1 26 UNP P29373 27 V +ATOM 208 C C . VAL A 1 26 ? 23.825 25.280 7.421 1.00 18.39 ? 26 VAL A C 1 26 UNP P29373 27 V +ATOM 209 O O . VAL A 1 26 ? 24.558 24.764 8.261 1.00 18.50 ? 26 VAL A O 1 26 UNP P29373 27 V +ATOM 210 C CB . VAL A 1 26 ? 23.223 24.088 5.320 1.00 20.77 ? 26 VAL A CB 1 26 UNP P29373 27 V +ATOM 211 C CG1 . VAL A 1 26 ? 24.624 23.523 5.378 1.00 22.39 ? 26 VAL A CG1 1 26 UNP P29373 27 V +ATOM 212 C CG2 . VAL A 1 26 ? 22.276 23.084 4.698 1.00 21.28 ? 26 VAL A CG2 1 26 UNP P29373 27 V +ATOM 213 N N . MET A 1 27 ? 23.932 26.556 7.052 1.00 19.00 ? 27 MET A N 1 27 UNP P29373 28 M +ATOM 214 C CA . MET A 1 27 ? 24.948 27.433 7.628 1.00 19.54 ? 27 MET A CA 1 27 UNP P29373 28 M +ATOM 215 C C . MET A 1 27 ? 24.734 27.741 9.099 1.00 19.04 ? 27 MET A C 1 27 UNP P29373 28 M +ATOM 216 O O . MET A 1 27 ? 25.702 27.820 9.849 1.00 18.28 ? 27 MET A O 1 27 UNP P29373 28 M +ATOM 217 C CB . MET A 1 27 ? 25.104 28.736 6.830 1.00 23.31 ? 27 MET A CB 1 27 UNP P29373 28 M +ATOM 218 C CG . MET A 1 27 ? 25.955 28.602 5.552 1.00 29.99 ? 27 MET A CG 1 27 UNP P29373 28 M +ATOM 219 S SD . MET A 1 27 ? 24.975 28.527 4.010 1.00 37.48 ? 27 MET A SD 1 27 UNP P29373 28 M +ATOM 220 C CE . MET A 1 27 ? 26.198 29.150 2.776 1.00 35.24 ? 27 MET A CE 1 27 UNP P29373 28 M +ATOM 221 N N . LEU A 1 28 ? 23.480 27.932 9.507 1.00 16.74 ? 28 LEU A N 1 28 UNP P29373 29 L +ATOM 222 C CA . LEU A 1 28 ? 23.190 28.209 10.912 1.00 16.39 ? 28 LEU A CA 1 28 UNP P29373 29 L +ATOM 223 C C . LEU A 1 28 ? 23.477 26.954 11.722 1.00 16.86 ? 28 LEU A C 1 28 UNP P29373 29 L +ATOM 224 O O . LEU A 1 28 ? 23.954 27.038 12.852 1.00 15.09 ? 28 LEU A O 1 28 UNP P29373 29 L +ATOM 225 C CB . LEU A 1 28 ? 21.739 28.679 11.111 1.00 15.94 ? 28 LEU A CB 1 28 UNP P29373 29 L +ATOM 226 C CG . LEU A 1 28 ? 21.490 30.154 10.741 1.00 16.72 ? 28 LEU A CG 1 28 UNP P29373 29 L +ATOM 227 C CD1 . LEU A 1 28 ? 20.008 30.496 10.780 1.00 14.38 ? 28 LEU A CD1 1 28 UNP P29373 29 L +ATOM 228 C CD2 . LEU A 1 28 ? 22.302 31.074 11.665 1.00 12.81 ? 28 LEU A CD2 1 28 UNP P29373 29 L +ATOM 229 N N . ARG A 1 29 ? 23.228 25.791 11.121 1.00 16.05 ? 29 ARG A N 1 29 UNP P29373 30 R +ATOM 230 C CA . ARG A 1 29 ? 23.498 24.524 11.798 1.00 18.43 ? 29 ARG A CA 1 29 UNP P29373 30 R +ATOM 231 C C . ARG A 1 29 ? 24.980 24.377 12.076 1.00 19.22 ? 29 ARG A C 1 29 UNP P29373 30 R +ATOM 232 O O . ARG A 1 29 ? 25.383 23.987 13.171 1.00 17.97 ? 29 ARG A O 1 29 UNP P29373 30 R +ATOM 233 C CB . ARG A 1 29 ? 23.030 23.334 10.969 1.00 18.63 ? 29 ARG A CB 1 29 UNP P29373 30 R +ATOM 234 C CG . ARG A 1 29 ? 21.596 22.983 11.189 1.00 21.26 ? 29 ARG A CG 1 29 UNP P29373 30 R +ATOM 235 C CD . ARG A 1 29 ? 21.339 21.572 10.739 1.00 24.71 ? 29 ARG A CD 1 29 UNP P29373 30 R +ATOM 236 N NE . ARG A 1 29 ? 20.571 21.564 9.513 1.00 29.88 ? 29 ARG A NE 1 29 UNP P29373 30 R +ATOM 237 C CZ . ARG A 1 29 ? 21.019 21.147 8.340 1.00 29.19 ? 29 ARG A CZ 1 29 UNP P29373 30 R +ATOM 238 N NH1 . ARG A 1 29 ? 22.248 20.682 8.205 1.00 30.52 ? 29 ARG A NH1 1 29 UNP P29373 30 R +ATOM 239 N NH2 . ARG A 1 29 ? 20.232 21.233 7.295 1.00 31.61 ? 29 ARG A NH2 1 29 UNP P29373 30 R +ATOM 240 N N . LYS A 1 30 ? 25.790 24.709 11.078 1.00 19.76 ? 30 LYS A N 1 30 UNP P29373 31 K +ATOM 241 C CA . LYS A 1 30 ? 27.235 24.619 11.198 1.00 21.96 ? 30 LYS A CA 1 30 UNP P29373 31 K +ATOM 242 C C . LYS A 1 30 ? 27.706 25.418 12.417 1.00 20.91 ? 30 LYS A C 1 30 UNP P29373 31 K +ATOM 243 O O . LYS A 1 30 ? 28.470 24.916 13.239 1.00 22.15 ? 30 LYS A O 1 30 UNP P29373 31 K +ATOM 244 C CB . LYS A 1 30 ? 27.894 25.143 9.915 1.00 25.07 ? 30 LYS A CB 1 30 UNP P29373 31 K +ATOM 245 C CG . LYS A 1 30 ? 29.404 25.031 9.905 1.00 30.48 ? 30 LYS A CG 1 30 UNP P29373 31 K +ATOM 246 C CD . LYS A 1 30 ? 30.013 25.631 8.639 1.00 35.43 ? 30 LYS A CD 1 30 UNP P29373 31 K +ATOM 247 C CE . LYS A 1 30 ? 31.533 25.759 8.778 1.00 37.96 ? 30 LYS A CE 1 30 UNP P29373 31 K +ATOM 248 N NZ . LYS A 1 30 ? 32.180 26.388 7.584 1.00 41.61 ? 30 LYS A NZ 1 30 UNP P29373 31 K +ATOM 249 N N . ILE A 1 31 ? 27.208 26.643 12.544 1.00 18.38 ? 31 ILE A N 1 31 UNP P29373 32 I +ATOM 250 C CA . ILE A 1 31 ? 27.557 27.527 13.652 1.00 16.41 ? 31 ILE A CA 1 31 UNP P29373 32 I +ATOM 251 C C . ILE A 1 31 ? 27.105 26.932 14.989 1.00 15.39 ? 31 ILE A C 1 31 UNP P29373 32 I +ATOM 252 O O . ILE A 1 31 ? 27.888 26.855 15.930 1.00 14.90 ? 31 ILE A O 1 31 UNP P29373 32 I +ATOM 253 C CB . ILE A 1 31 ? 26.881 28.920 13.471 1.00 16.63 ? 31 ILE A CB 1 31 UNP P29373 32 I +ATOM 254 C CG1 . ILE A 1 31 ? 27.419 29.606 12.208 1.00 18.74 ? 31 ILE A CG1 1 31 UNP P29373 32 I +ATOM 255 C CG2 . ILE A 1 31 ? 27.071 29.791 14.713 1.00 15.71 ? 31 ILE A CG2 1 31 UNP P29373 32 I +ATOM 256 C CD1 . ILE A 1 31 ? 26.735 30.946 11.858 1.00 17.27 ? 31 ILE A CD1 1 31 UNP P29373 32 I +ATOM 257 N N . ALA A 1 32 ? 25.853 26.487 15.048 1.00 13.39 ? 32 ALA A N 1 32 UNP P29373 33 A +ATOM 258 C CA . ALA A 1 32 ? 25.271 25.930 16.267 1.00 12.76 ? 32 ALA A CA 1 32 UNP P29373 33 A +ATOM 259 C C . ALA A 1 32 ? 25.994 24.685 16.775 1.00 12.11 ? 32 ALA A C 1 32 UNP P29373 33 A +ATOM 260 O O . ALA A 1 32 ? 26.325 24.598 17.946 1.00 10.54 ? 32 ALA A O 1 32 UNP P29373 33 A +ATOM 261 C CB . ALA A 1 32 ? 23.790 25.638 16.040 1.00 12.45 ? 32 ALA A CB 1 32 UNP P29373 33 A +ATOM 262 N N . VAL A 1 33 ? 26.252 23.731 15.886 1.00 11.95 ? 33 VAL A N 1 33 UNP P29373 34 V +ATOM 263 C CA . VAL A 1 33 ? 26.932 22.490 16.256 1.00 13.80 ? 33 VAL A CA 1 33 UNP P29373 34 V +ATOM 264 C C . VAL A 1 33 ? 28.328 22.701 16.855 1.00 14.00 ? 33 VAL A C 1 33 UNP P29373 34 V +ATOM 265 O O . VAL A 1 33 ? 28.693 22.048 17.832 1.00 14.07 ? 33 VAL A O 1 33 UNP P29373 34 V +ATOM 266 C CB . VAL A 1 33 ? 27.016 21.504 15.044 1.00 13.56 ? 33 VAL A CB 1 33 UNP P29373 34 V +ATOM 267 C CG1 . VAL A 1 33 ? 27.909 20.318 15.375 1.00 16.07 ? 33 VAL A CG1 1 33 UNP P29373 34 V +ATOM 268 C CG2 . VAL A 1 33 ? 25.621 21.006 14.684 1.00 14.96 ? 33 VAL A CG2 1 33 UNP P29373 34 V +ATOM 269 N N . ALA A 1 34 ? 29.101 23.620 16.281 1.00 14.73 ? 34 ALA A N 1 34 UNP P29373 35 A +ATOM 270 C CA . ALA A 1 34 ? 30.443 23.898 16.780 1.00 14.95 ? 34 ALA A CA 1 34 UNP P29373 35 A +ATOM 271 C C . ALA A 1 34 ? 30.381 24.505 18.178 1.00 15.59 ? 34 ALA A C 1 34 UNP P29373 35 A +ATOM 272 O O . ALA A 1 34 ? 31.120 24.085 19.065 1.00 16.65 ? 34 ALA A O 1 34 UNP P29373 35 A +ATOM 273 C CB . ALA A 1 34 ? 31.191 24.844 15.833 1.00 16.10 ? 34 ALA A CB 1 34 UNP P29373 35 A +ATOM 274 N N . ALA A 1 35 ? 29.495 25.480 18.375 1.00 13.20 ? 35 ALA A N 1 35 UNP P29373 36 A +ATOM 275 C CA . ALA A 1 35 ? 29.371 26.134 19.671 1.00 13.04 ? 35 ALA A CA 1 35 UNP P29373 36 A +ATOM 276 C C . ALA A 1 35 ? 28.807 25.200 20.749 1.00 12.91 ? 35 ALA A C 1 35 UNP P29373 36 A +ATOM 277 O O . ALA A 1 35 ? 29.245 25.239 21.895 1.00 12.32 ? 35 ALA A O 1 35 UNP P29373 36 A +ATOM 278 C CB . ALA A 1 35 ? 28.517 27.387 19.552 1.00 12.14 ? 35 ALA A CB 1 35 UNP P29373 36 A +ATOM 279 N N . ALA A 1 36 ? 27.878 24.332 20.362 1.00 11.40 ? 36 ALA A N 1 36 UNP P29373 37 A +ATOM 280 C CA . ALA A 1 36 ? 27.253 23.416 21.312 1.00 12.63 ? 36 ALA A CA 1 36 UNP P29373 37 A +ATOM 281 C C . ALA A 1 36 ? 28.128 22.256 21.770 1.00 13.40 ? 36 ALA A C 1 36 UNP P29373 37 A +ATOM 282 O O . ALA A 1 36 ? 27.743 21.512 22.668 1.00 13.47 ? 36 ALA A O 1 36 UNP P29373 37 A +ATOM 283 C CB . ALA A 1 36 ? 25.952 22.883 20.744 1.00 11.79 ? 36 ALA A CB 1 36 UNP P29373 37 A +ATOM 284 N N . SER A 1 37 ? 29.286 22.080 21.148 1.00 13.86 ? 37 SER A N 1 37 UNP P29373 38 S +ATOM 285 C CA . SER A 1 37 ? 30.169 20.983 21.520 1.00 15.95 ? 37 SER A CA 1 37 UNP P29373 38 S +ATOM 286 C C . SER A 1 37 ? 30.938 21.245 22.818 1.00 16.46 ? 37 SER A C 1 37 UNP P29373 38 S +ATOM 287 O O . SER A 1 37 ? 31.488 20.320 23.406 1.00 18.23 ? 37 SER A O 1 37 UNP P29373 38 S +ATOM 288 C CB . SER A 1 37 ? 31.145 20.689 20.388 1.00 16.93 ? 37 SER A CB 1 37 UNP P29373 38 S +ATOM 289 O OG . SER A 1 37 ? 32.100 21.729 20.293 1.00 21.65 ? 37 SER A OG 1 37 UNP P29373 38 S +ATOM 290 N N . LYS A 1 38 ? 30.957 22.496 23.272 1.00 16.91 ? 38 LYS A N 1 38 UNP P29373 39 K +ATOM 291 C CA . LYS A 1 38 ? 31.657 22.869 24.502 1.00 18.36 ? 38 LYS A CA 1 38 UNP P29373 39 K +ATOM 292 C C . LYS A 1 38 ? 30.817 23.809 25.382 1.00 15.90 ? 38 LYS A C 1 38 UNP P29373 39 K +ATOM 293 O O . LYS A 1 38 ? 31.175 24.975 25.591 1.00 16.72 ? 38 LYS A O 1 38 UNP P29373 39 K +ATOM 294 C CB . LYS A 1 38 ? 33.004 23.539 24.156 1.00 23.99 ? 38 LYS A CB 1 38 UNP P29373 39 K +ATOM 295 C CG . LYS A 1 38 ? 32.907 24.607 23.046 1.00 30.97 ? 38 LYS A CG 1 38 UNP P29373 39 K +ATOM 296 C CD . LYS A 1 38 ? 34.250 25.320 22.792 1.00 36.44 ? 38 LYS A CD 1 38 UNP P29373 39 K +ATOM 297 C CE . LYS A 1 38 ? 34.266 26.098 21.456 1.00 38.70 ? 38 LYS A CE 1 38 UNP P29373 39 K +ATOM 298 N NZ . LYS A 1 38 ? 33.193 27.131 21.321 1.00 39.37 ? 38 LYS A NZ 1 38 UNP P29373 39 K +ATOM 299 N N . PRO A 1 39 ? 29.669 23.321 25.906 1.00 13.53 ? 39 PRO A N 1 39 UNP P29373 40 P +ATOM 300 C CA . PRO A 1 39 ? 28.851 24.201 26.747 1.00 11.87 ? 39 PRO A CA 1 39 UNP P29373 40 P +ATOM 301 C C . PRO A 1 39 ? 29.292 24.248 28.211 1.00 12.05 ? 39 PRO A C 1 39 UNP P29373 40 P +ATOM 302 O O . PRO A 1 39 ? 30.027 23.380 28.676 1.00 12.12 ? 39 PRO A O 1 39 UNP P29373 40 P +ATOM 303 C CB . PRO A 1 39 ? 27.469 23.560 26.649 1.00 9.34 ? 39 PRO A CB 1 39 UNP P29373 40 P +ATOM 304 C CG . PRO A 1 39 ? 27.779 22.131 26.593 1.00 10.32 ? 39 PRO A CG 1 39 UNP P29373 40 P +ATOM 305 C CD . PRO A 1 39 ? 29.009 22.020 25.703 1.00 10.86 ? 39 PRO A CD 1 39 UNP P29373 40 P +ATOM 306 N N . ALA A 1 40 ? 28.921 25.316 28.898 1.00 11.52 ? 40 ALA A N 1 40 UNP P29373 41 A +ATOM 307 C CA . ALA A 1 40 ? 29.192 25.423 30.329 1.00 11.84 ? 40 ALA A CA 1 40 UNP P29373 41 A +ATOM 308 C C . ALA A 1 40 ? 27.773 25.329 30.894 1.00 10.23 ? 40 ALA A C 1 40 UNP P29373 41 A +ATOM 309 O O . ALA A 1 40 ? 26.894 26.080 30.478 1.00 10.42 ? 40 ALA A O 1 40 UNP P29373 41 A +ATOM 310 C CB . ALA A 1 40 ? 29.830 26.767 30.673 1.00 11.40 ? 40 ALA A CB 1 40 UNP P29373 41 A +ATOM 311 N N . VAL A 1 41 ? 27.518 24.345 31.750 1.00 10.73 ? 41 VAL A N 1 41 UNP P29373 42 V +ATOM 312 C CA . VAL A 1 41 ? 26.185 24.169 32.333 1.00 9.92 ? 41 VAL A CA 1 41 UNP P29373 42 V +ATOM 313 C C . VAL A 1 41 ? 26.226 24.295 33.854 1.00 11.64 ? 41 VAL A C 1 41 UNP P29373 42 V +ATOM 314 O O . VAL A 1 41 ? 27.026 23.627 34.514 1.00 11.40 ? 41 VAL A O 1 41 UNP P29373 42 V +ATOM 315 C CB . VAL A 1 41 ? 25.594 22.772 31.987 1.00 10.67 ? 41 VAL A CB 1 41 UNP P29373 42 V +ATOM 316 C CG1 . VAL A 1 41 ? 24.204 22.596 32.612 1.00 11.34 ? 41 VAL A CG1 1 41 UNP P29373 42 V +ATOM 317 C CG2 . VAL A 1 41 ? 25.507 22.583 30.475 1.00 11.31 ? 41 VAL A CG2 1 41 UNP P29373 42 V +ATOM 318 N N . GLU A 1 42 ? 25.364 25.147 34.399 1.00 10.94 ? 42 GLU A N 1 42 UNP P29373 43 E +ATOM 319 C CA . GLU A 1 42 ? 25.271 25.327 35.845 1.00 12.40 ? 42 GLU A CA 1 42 UNP P29373 43 E +ATOM 320 C C . GLU A 1 42 ? 23.837 25.095 36.316 1.00 11.42 ? 42 GLU A C 1 42 UNP P29373 43 E +ATOM 321 O O . GLU A 1 42 ? 22.898 25.720 35.825 1.00 10.46 ? 42 GLU A O 1 42 UNP P29373 43 E +ATOM 322 C CB . GLU A 1 42 ? 25.711 26.721 36.270 1.00 16.26 ? 42 GLU A CB 1 42 UNP P29373 43 E +ATOM 323 C CG . GLU A 1 42 ? 25.495 26.947 37.768 1.00 23.78 ? 42 GLU A CG 1 42 UNP P29373 43 E +ATOM 324 C CD . GLU A 1 42 ? 25.944 28.311 38.242 1.00 27.94 ? 42 GLU A CD 1 42 UNP P29373 43 E +ATOM 325 O OE1 . GLU A 1 42 ? 25.308 29.329 37.872 1.00 29.92 ? 42 GLU A OE1 1 42 UNP P29373 43 E +ATOM 326 O OE2 . GLU A 1 42 ? 26.935 28.351 39.002 1.00 32.64 ? 42 GLU A OE2 1 42 UNP P29373 43 E +ATOM 327 N N . ILE A 1 43 ? 23.673 24.176 37.261 1.00 10.55 ? 43 ILE A N 1 43 UNP P29373 44 I +ATOM 328 C CA . ILE A 1 43 ? 22.362 23.864 37.794 1.00 10.69 ? 43 ILE A CA 1 43 UNP P29373 44 I +ATOM 329 C C . ILE A 1 43 ? 22.360 24.120 39.300 1.00 11.07 ? 43 ILE A C 1 43 UNP P29373 44 I +ATOM 330 O O . ILE A 1 43 ? 23.307 23.764 39.992 1.00 10.83 ? 43 ILE A O 1 43 UNP P29373 44 I +ATOM 331 C CB . ILE A 1 43 ? 21.996 22.374 37.552 1.00 10.47 ? 43 ILE A CB 1 43 UNP P29373 44 I +ATOM 332 C CG1 . ILE A 1 43 ? 21.974 22.072 36.056 1.00 10.46 ? 43 ILE A CG1 1 43 UNP P29373 44 I +ATOM 333 C CG2 . ILE A 1 43 ? 20.636 22.031 38.186 1.00 10.34 ? 43 ILE A CG2 1 43 UNP P29373 44 I +ATOM 334 C CD1 . ILE A 1 43 ? 21.607 20.639 35.726 1.00 9.00 ? 43 ILE A CD1 1 43 UNP P29373 44 I +ATOM 335 N N . LYS A 1 44 ? 21.315 24.784 39.778 1.00 12.26 ? 44 LYS A N 1 44 UNP P29373 45 K +ATOM 336 C CA . LYS A 1 44 ? 21.127 25.051 41.201 1.00 13.96 ? 44 LYS A CA 1 44 UNP P29373 45 K +ATOM 337 C C . LYS A 1 44 ? 19.729 24.528 41.516 1.00 14.16 ? 44 LYS A C 1 44 UNP P29373 45 K +ATOM 338 O O . LYS A 1 44 ? 18.749 24.920 40.873 1.00 14.12 ? 44 LYS A O 1 44 UNP P29373 45 K +ATOM 339 C CB . LYS A 1 44 ? 21.220 26.545 41.503 1.00 16.58 ? 44 LYS A CB 1 44 UNP P29373 45 K +ATOM 340 C CG . LYS A 1 44 ? 22.580 27.150 41.170 1.00 22.90 ? 44 LYS A CG 1 44 UNP P29373 45 K +ATOM 341 C CD . LYS A 1 44 ? 22.571 28.654 41.385 1.00 29.01 ? 44 LYS A CD 1 44 UNP P29373 45 K +ATOM 342 C CE . LYS A 1 44 ? 23.890 29.293 40.982 1.00 31.56 ? 44 LYS A CE 1 44 UNP P29373 45 K +ATOM 343 N NZ . LYS A 1 44 ? 23.818 30.781 41.111 1.00 34.70 ? 44 LYS A NZ 1 44 UNP P29373 45 K +ATOM 344 N N . GLN A 1 45 ? 19.649 23.594 42.460 1.00 15.66 ? 45 GLN A N 1 45 UNP P29373 46 Q +ATOM 345 C CA . GLN A 1 45 ? 18.377 22.993 42.852 1.00 16.03 ? 45 GLN A CA 1 45 UNP P29373 46 Q +ATOM 346 C C . GLN A 1 45 ? 18.098 23.182 44.342 1.00 17.60 ? 45 GLN A C 1 45 UNP P29373 46 Q +ATOM 347 O O . GLN A 1 45 ? 18.989 23.024 45.164 1.00 17.17 ? 45 GLN A O 1 45 UNP P29373 46 Q +ATOM 348 C CB . GLN A 1 45 ? 18.397 21.498 42.544 1.00 15.51 ? 45 GLN A CB 1 45 UNP P29373 46 Q +ATOM 349 C CG . GLN A 1 45 ? 17.168 20.744 43.015 1.00 13.62 ? 45 GLN A CG 1 45 UNP P29373 46 Q +ATOM 350 C CD . GLN A 1 45 ? 17.312 19.256 42.838 1.00 15.68 ? 45 GLN A CD 1 45 UNP P29373 46 Q +ATOM 351 O OE1 . GLN A 1 45 ? 18.348 18.769 42.397 1.00 18.84 ? 45 GLN A OE1 1 45 UNP P29373 46 Q +ATOM 352 N NE2 . GLN A 1 45 ? 16.276 18.521 43.177 1.00 16.73 ? 45 GLN A NE2 1 45 UNP P29373 46 Q +ATOM 353 N N . GLU A 1 46 ? 16.868 23.551 44.670 1.00 18.48 ? 46 GLU A N 1 46 UNP P29373 47 E +ATOM 354 C CA . GLU A 1 46 ? 16.441 23.718 46.062 1.00 21.26 ? 46 GLU A CA 1 46 UNP P29373 47 E +ATOM 355 C C . GLU A 1 46 ? 15.108 23.004 46.105 1.00 19.06 ? 46 GLU A C 1 46 UNP P29373 47 E +ATOM 356 O O . GLU A 1 46 ? 14.080 23.589 45.784 1.00 20.08 ? 46 GLU A O 1 46 UNP P29373 47 E +ATOM 357 C CB . GLU A 1 46 ? 16.239 25.194 46.408 1.00 26.45 ? 46 GLU A CB 1 46 UNP P29373 47 E +ATOM 358 C CG . GLU A 1 46 ? 17.284 25.787 47.361 1.00 37.46 ? 46 GLU A CG 1 46 UNP P29373 47 E +ATOM 359 C CD . GLU A 1 46 ? 17.093 25.374 48.832 1.00 42.24 ? 46 GLU A CD 1 46 UNP P29373 47 E +ATOM 360 O OE1 . GLU A 1 46 ? 16.192 25.944 49.501 1.00 44.05 ? 46 GLU A OE1 1 46 UNP P29373 47 E +ATOM 361 O OE2 . GLU A 1 46 ? 17.867 24.507 49.320 1.00 44.14 ? 46 GLU A OE2 1 46 UNP P29373 47 E +ATOM 362 N N . GLY A 1 47 ? 15.131 21.720 46.429 1.00 18.35 ? 47 GLY A N 1 47 UNP P29373 48 G +ATOM 363 C CA . GLY A 1 47 ? 13.893 20.970 46.463 1.00 18.96 ? 47 GLY A CA 1 47 UNP P29373 48 G +ATOM 364 C C . GLY A 1 47 ? 13.382 20.755 45.053 1.00 18.27 ? 47 GLY A C 1 47 UNP P29373 48 G +ATOM 365 O O . GLY A 1 47 ? 14.067 20.157 44.238 1.00 18.05 ? 47 GLY A O 1 47 UNP P29373 48 G +ATOM 366 N N . ASP A 1 48 ? 12.194 21.262 44.755 1.00 16.66 ? 48 ASP A N 1 48 UNP P29373 49 D +ATOM 367 C CA . ASP A 1 48 ? 11.617 21.107 43.420 1.00 16.86 ? 48 ASP A CA 1 48 UNP P29373 49 D +ATOM 368 C C . ASP A 1 48 ? 11.771 22.378 42.566 1.00 15.92 ? 48 ASP A C 1 48 UNP P29373 49 D +ATOM 369 O O . ASP A 1 48 ? 11.139 22.511 41.504 1.00 14.50 ? 48 ASP A O 1 48 UNP P29373 49 D +ATOM 370 C CB . ASP A 1 48 ? 10.136 20.694 43.513 1.00 19.00 ? 48 ASP A CB 1 48 UNP P29373 49 D +ATOM 371 C CG . ASP A 1 48 ? 9.943 19.221 43.897 1.00 21.49 ? 48 ASP A CG 1 48 UNP P29373 49 D +ATOM 372 O OD1 . ASP A 1 48 ? 10.901 18.406 43.840 1.00 23.51 ? 48 ASP A OD1 1 48 UNP P29373 49 D +ATOM 373 O OD2 . ASP A 1 48 ? 8.802 18.868 44.243 1.00 25.04 ? 48 ASP A OD2 1 48 UNP P29373 49 D +ATOM 374 N N . THR A 1 49 ? 12.610 23.299 43.042 1.00 13.75 ? 49 THR A N 1 49 UNP P29373 50 T +ATOM 375 C CA . THR A 1 49 ? 12.870 24.551 42.348 1.00 13.82 ? 49 THR A CA 1 49 UNP P29373 50 T +ATOM 376 C C . THR A 1 49 ? 14.231 24.460 41.678 1.00 13.22 ? 49 THR A C 1 49 UNP P29373 50 T +ATOM 377 O O . THR A 1 49 ? 15.235 24.152 42.322 1.00 12.56 ? 49 THR A O 1 49 UNP P29373 50 T +ATOM 378 C CB . THR A 1 49 ? 12.847 25.741 43.316 1.00 16.10 ? 49 THR A CB 1 49 UNP P29373 50 T +ATOM 379 O OG1 . THR A 1 49 ? 11.556 25.815 43.941 1.00 17.94 ? 49 THR A OG1 1 49 UNP P29373 50 T +ATOM 380 C CG2 . THR A 1 49 ? 13.100 27.037 42.571 1.00 16.15 ? 49 THR A CG2 1 49 UNP P29373 50 T +ATOM 381 N N . PHE A 1 50 ? 14.266 24.794 40.392 1.00 12.20 ? 50 PHE A N 1 50 UNP P29373 51 F +ATOM 382 C CA . PHE A 1 50 ? 15.485 24.704 39.602 1.00 10.82 ? 50 PHE A CA 1 50 UNP P29373 51 F +ATOM 383 C C . PHE A 1 50 ? 15.842 25.979 38.855 1.00 10.40 ? 50 PHE A C 1 50 UNP P29373 51 F +ATOM 384 O O . PHE A 1 50 ? 14.968 26.758 38.460 1.00 9.90 ? 50 PHE A O 1 50 UNP P29373 51 F +ATOM 385 C CB . PHE A 1 50 ? 15.338 23.591 38.547 1.00 10.78 ? 50 PHE A CB 1 50 UNP P29373 51 F +ATOM 386 C CG . PHE A 1 50 ? 15.316 22.192 39.107 1.00 13.13 ? 50 PHE A CG 1 50 UNP P29373 51 F +ATOM 387 C CD1 . PHE A 1 50 ? 14.146 21.653 39.634 1.00 11.97 ? 50 PHE A CD1 1 50 UNP P29373 51 F +ATOM 388 C CD2 . PHE A 1 50 ? 16.464 21.401 39.079 1.00 14.34 ? 50 PHE A CD2 1 50 UNP P29373 51 F +ATOM 389 C CE1 . PHE A 1 50 ? 14.113 20.367 40.120 1.00 12.69 ? 50 PHE A CE1 1 50 UNP P29373 51 F +ATOM 390 C CE2 . PHE A 1 50 ? 16.439 20.098 39.569 1.00 14.64 ? 50 PHE A CE2 1 50 UNP P29373 51 F +ATOM 391 C CZ . PHE A 1 50 ? 15.258 19.582 40.092 1.00 13.15 ? 50 PHE A CZ 1 50 UNP P29373 51 F +ATOM 392 N N . TYR A 1 51 ? 17.147 26.165 38.678 1.00 10.37 ? 51 TYR A N 1 51 UNP P29373 52 Y +ATOM 393 C CA . TYR A 1 51 ? 17.709 27.258 37.910 1.00 10.95 ? 51 TYR A CA 1 51 UNP P29373 52 Y +ATOM 394 C C . TYR A 1 51 ? 18.714 26.513 37.039 1.00 9.84 ? 51 TYR A C 1 51 UNP P29373 52 Y +ATOM 395 O O . TYR A 1 51 ? 19.540 25.761 37.547 1.00 9.78 ? 51 TYR A O 1 51 UNP P29373 52 Y +ATOM 396 C CB . TYR A 1 51 ? 18.436 28.284 38.790 1.00 12.57 ? 51 TYR A CB 1 51 UNP P29373 52 Y +ATOM 397 C CG . TYR A 1 51 ? 19.396 29.178 38.014 1.00 12.91 ? 51 TYR A CG 1 51 UNP P29373 52 Y +ATOM 398 C CD1 . TYR A 1 51 ? 18.939 30.302 37.327 1.00 15.83 ? 51 TYR A CD1 1 51 UNP P29373 52 Y +ATOM 399 C CD2 . TYR A 1 51 ? 20.762 28.896 37.974 1.00 14.05 ? 51 TYR A CD2 1 51 UNP P29373 52 Y +ATOM 400 C CE1 . TYR A 1 51 ? 19.822 31.126 36.621 1.00 16.52 ? 51 TYR A CE1 1 51 UNP P29373 52 Y +ATOM 401 C CE2 . TYR A 1 51 ? 21.655 29.705 37.275 1.00 14.62 ? 51 TYR A CE2 1 51 UNP P29373 52 Y +ATOM 402 C CZ . TYR A 1 51 ? 21.179 30.818 36.604 1.00 16.59 ? 51 TYR A CZ 1 51 UNP P29373 52 Y +ATOM 403 O OH . TYR A 1 51 ? 22.060 31.633 35.932 1.00 17.52 ? 51 TYR A OH 1 51 UNP P29373 52 Y +ATOM 404 N N . ILE A 1 52 ? 18.610 26.676 35.726 1.00 10.57 ? 52 ILE A N 1 52 UNP P29373 53 I +ATOM 405 C CA . ILE A 1 52 ? 19.520 26.004 34.801 1.00 9.09 ? 52 ILE A CA 1 52 UNP P29373 53 I +ATOM 406 C C . ILE A 1 52 ? 20.066 27.020 33.801 1.00 8.55 ? 52 ILE A C 1 52 UNP P29373 53 I +ATOM 407 O O . ILE A 1 52 ? 19.296 27.652 33.086 1.00 10.49 ? 52 ILE A O 1 52 UNP P29373 53 I +ATOM 408 C CB . ILE A 1 52 ? 18.807 24.859 34.026 1.00 8.96 ? 52 ILE A CB 1 52 UNP P29373 53 I +ATOM 409 C CG1 . ILE A 1 52 ? 18.242 23.814 35.013 1.00 9.15 ? 52 ILE A CG1 1 52 UNP P29373 53 I +ATOM 410 C CG2 . ILE A 1 52 ? 19.792 24.189 33.070 1.00 10.39 ? 52 ILE A CG2 1 52 UNP P29373 53 I +ATOM 411 C CD1 . ILE A 1 52 ? 17.585 22.616 34.366 1.00 8.10 ? 52 ILE A CD1 1 52 UNP P29373 53 I +ATOM 412 N N . LYS A 1 53 ? 21.388 27.197 33.791 1.00 8.61 ? 53 LYS A N 1 53 UNP P29373 54 K +ATOM 413 C CA . LYS A 1 53 ? 22.049 28.115 32.868 1.00 9.66 ? 53 LYS A CA 1 53 UNP P29373 54 K +ATOM 414 C C . LYS A 1 53 ? 22.939 27.319 31.924 1.00 8.71 ? 53 LYS A C 1 53 UNP P29373 54 K +ATOM 415 O O . LYS A 1 53 ? 23.815 26.583 32.362 1.00 7.58 ? 53 LYS A O 1 53 UNP P29373 54 K +ATOM 416 C CB . LYS A 1 53 ? 22.909 29.120 33.611 1.00 10.60 ? 53 LYS A CB 1 53 UNP P29373 54 K +ATOM 417 C CG . LYS A 1 53 ? 23.580 30.135 32.688 1.00 14.21 ? 53 LYS A CG 1 53 UNP P29373 54 K +ATOM 418 C CD . LYS A 1 53 ? 24.496 31.006 33.505 1.00 20.27 ? 53 LYS A CD 1 53 UNP P29373 54 K +ATOM 419 C CE . LYS A 1 53 ? 24.831 32.319 32.828 1.00 26.91 ? 53 LYS A CE 1 53 UNP P29373 54 K +ATOM 420 N NZ . LYS A 1 53 ? 25.878 33.009 33.659 1.00 29.12 ? 53 LYS A NZ 1 53 UNP P29373 54 K +ATOM 421 N N . THR A 1 54 ? 22.686 27.445 30.625 1.00 8.49 ? 54 THR A N 1 54 UNP P29373 55 T +ATOM 422 C CA . THR A 1 54 ? 23.478 26.747 29.628 1.00 7.98 ? 54 THR A CA 1 54 UNP P29373 55 T +ATOM 423 C C . THR A 1 54 ? 24.118 27.820 28.764 1.00 8.23 ? 54 THR A C 1 54 UNP P29373 55 T +ATOM 424 O O . THR A 1 54 ? 23.433 28.584 28.087 1.00 8.40 ? 54 THR A O 1 54 UNP P29373 55 T +ATOM 425 C CB . THR A 1 54 ? 22.621 25.817 28.789 1.00 8.33 ? 54 THR A CB 1 54 UNP P29373 55 T +ATOM 426 O OG1 . THR A 1 54 ? 21.896 24.946 29.660 1.00 9.95 ? 54 THR A OG1 1 54 UNP P29373 55 T +ATOM 427 C CG2 . THR A 1 54 ? 23.505 24.976 27.873 1.00 4.95 ? 54 THR A CG2 1 54 UNP P29373 55 T +ATOM 428 N N . SER A 1 55 ? 25.444 27.840 28.758 1.00 8.75 ? 55 SER A N 1 55 UNP P29373 56 S +ATOM 429 C CA . SER A 1 55 ? 26.171 28.865 28.047 1.00 10.50 ? 55 SER A CA 1 55 UNP P29373 56 S +ATOM 430 C C . SER A 1 55 ? 27.116 28.382 26.950 1.00 9.24 ? 55 SER A C 1 55 UNP P29373 56 S +ATOM 431 O O . SER A 1 55 ? 27.802 27.370 27.101 1.00 8.98 ? 55 SER A O 1 55 UNP P29373 56 S +ATOM 432 C CB . SER A 1 55 ? 26.934 29.694 29.082 1.00 13.09 ? 55 SER A CB 1 55 UNP P29373 56 S +ATOM 433 O OG . SER A 1 55 ? 27.781 30.646 28.473 1.00 23.11 ? 55 SER A OG 1 55 UNP P29373 56 S +ATOM 434 N N . THR A 1 56 ? 27.091 29.094 25.825 1.00 8.86 ? 56 THR A N 1 56 UNP P29373 57 T +ATOM 435 C CA . THR A 1 56 ? 27.978 28.831 24.684 1.00 8.05 ? 56 THR A CA 1 56 UNP P29373 57 T +ATOM 436 C C . THR A 1 56 ? 28.393 30.215 24.138 1.00 8.09 ? 56 THR A C 1 56 UNP P29373 57 T +ATOM 437 O O . THR A 1 56 ? 27.834 31.237 24.525 1.00 7.17 ? 56 THR A O 1 56 UNP P29373 57 T +ATOM 438 C CB . THR A 1 56 ? 27.296 28.024 23.534 1.00 6.70 ? 56 THR A CB 1 56 UNP P29373 57 T +ATOM 439 O OG1 . THR A 1 56 ? 26.294 28.829 22.909 1.00 9.76 ? 56 THR A OG1 1 56 UNP P29373 57 T +ATOM 440 C CG2 . THR A 1 56 ? 26.653 26.751 24.049 1.00 7.76 ? 56 THR A CG2 1 56 UNP P29373 57 T +ATOM 441 N N . THR A 1 57 ? 29.381 30.242 23.249 1.00 9.17 ? 57 THR A N 1 57 UNP P29373 58 T +ATOM 442 C CA . THR A 1 57 ? 29.871 31.485 22.644 1.00 8.49 ? 57 THR A CA 1 57 UNP P29373 58 T +ATOM 443 C C . THR A 1 57 ? 28.820 32.222 21.802 1.00 7.50 ? 57 THR A C 1 57 UNP P29373 58 T +ATOM 444 O O . THR A 1 57 ? 28.952 33.412 21.565 1.00 9.40 ? 57 THR A O 1 57 UNP P29373 58 T +ATOM 445 C CB . THR A 1 57 ? 31.091 31.205 21.716 1.00 9.12 ? 57 THR A CB 1 57 UNP P29373 58 T +ATOM 446 O OG1 . THR A 1 57 ? 30.758 30.171 20.786 1.00 9.41 ? 57 THR A OG1 1 57 UNP P29373 58 T +ATOM 447 C CG2 . THR A 1 57 ? 32.297 30.775 22.516 1.00 11.48 ? 57 THR A CG2 1 57 UNP P29373 58 T +ATOM 448 N N . VAL A 1 58 ? 27.786 31.510 21.356 1.00 8.04 ? 58 VAL A N 1 58 UNP P29373 59 V +ATOM 449 C CA . VAL A 1 58 ? 26.733 32.090 20.500 1.00 9.09 ? 58 VAL A CA 1 58 UNP P29373 59 V +ATOM 450 C C . VAL A 1 58 ? 25.328 32.224 21.102 1.00 8.67 ? 58 VAL A C 1 58 UNP P29373 59 V +ATOM 451 O O . VAL A 1 58 ? 24.466 32.892 20.531 1.00 6.97 ? 58 VAL A O 1 58 UNP P29373 59 V +ATOM 452 C CB . VAL A 1 58 ? 26.602 31.287 19.155 1.00 9.96 ? 58 VAL A CB 1 58 UNP P29373 59 V +ATOM 453 C CG1 . VAL A 1 58 ? 27.976 31.161 18.454 1.00 11.08 ? 58 VAL A CG1 1 58 UNP P29373 59 V +ATOM 454 C CG2 . VAL A 1 58 ? 26.010 29.890 19.404 1.00 9.41 ? 58 VAL A CG2 1 58 UNP P29373 59 V +ATOM 455 N N . ARG A 1 59 ? 25.100 31.620 22.266 1.00 8.88 ? 59 ARG A N 1 59 UNP P29373 60 R +ATOM 456 C CA . ARG A 1 59 ? 23.783 31.655 22.882 1.00 9.95 ? 59 ARG A CA 1 59 UNP P29373 60 R +ATOM 457 C C . ARG A 1 59 ? 23.843 31.140 24.303 1.00 10.14 ? 59 ARG A C 1 59 UNP P29373 60 R +ATOM 458 O O . ARG A 1 59 ? 24.440 30.108 24.556 1.00 10.10 ? 59 ARG A O 1 59 UNP P29373 60 R +ATOM 459 C CB . ARG A 1 59 ? 22.837 30.751 22.074 1.00 13.11 ? 59 ARG A CB 1 59 UNP P29373 60 R +ATOM 460 C CG . ARG A 1 59 ? 21.417 30.569 22.623 1.00 16.80 ? 59 ARG A CG 1 59 UNP P29373 60 R +ATOM 461 C CD . ARG A 1 59 ? 20.521 29.961 21.535 1.00 18.74 ? 59 ARG A CD 1 59 UNP P29373 60 R +ATOM 462 N NE . ARG A 1 59 ? 19.250 29.440 22.032 1.00 20.63 ? 59 ARG A NE 1 59 UNP P29373 60 R +ATOM 463 C CZ . ARG A 1 59 ? 18.147 30.165 22.193 1.00 22.94 ? 59 ARG A CZ 1 59 UNP P29373 60 R +ATOM 464 N NH1 . ARG A 1 59 ? 18.138 31.462 21.894 1.00 22.55 ? 59 ARG A NH1 1 59 UNP P29373 60 R +ATOM 465 N NH2 . ARG A 1 59 ? 17.051 29.594 22.686 1.00 23.68 ? 59 ARG A NH2 1 59 UNP P29373 60 R +ATOM 466 N N . THR A 1 60 ? 23.183 31.849 25.211 1.00 11.23 ? 60 THR A N 1 60 UNP P29373 61 T +ATOM 467 C CA . THR A 1 60 ? 23.120 31.458 26.611 1.00 11.84 ? 60 THR A CA 1 60 UNP P29373 61 T +ATOM 468 C C . THR A 1 60 ? 21.650 31.500 27.005 1.00 11.73 ? 60 THR A C 1 60 UNP P29373 61 T +ATOM 469 O O . THR A 1 60 ? 20.934 32.423 26.620 1.00 13.69 ? 60 THR A O 1 60 UNP P29373 61 T +ATOM 470 C CB . THR A 1 60 ? 23.916 32.451 27.519 1.00 10.13 ? 60 THR A CB 1 60 UNP P29373 61 T +ATOM 471 O OG1 . THR A 1 60 ? 25.320 32.302 27.276 1.00 10.55 ? 60 THR A OG1 1 60 UNP P29373 61 T +ATOM 472 C CG2 . THR A 1 60 ? 23.632 32.181 29.003 1.00 11.01 ? 60 THR A CG2 1 60 UNP P29373 61 T +ATOM 473 N N . THR A 1 61 ? 21.183 30.470 27.706 1.00 11.78 ? 61 THR A N 1 61 UNP P29373 62 T +ATOM 474 C CA . THR A 1 61 ? 19.797 30.413 28.175 1.00 11.54 ? 61 THR A CA 1 61 UNP P29373 62 T +ATOM 475 C C . THR A 1 61 ? 19.831 30.214 29.686 1.00 10.88 ? 61 THR A C 1 61 UNP P29373 62 T +ATOM 476 O O . THR A 1 61 ? 20.734 29.570 30.205 1.00 9.63 ? 61 THR A O 1 61 UNP P29373 62 T +ATOM 477 C CB . THR A 1 61 ? 18.965 29.229 27.539 1.00 12.65 ? 61 THR A CB 1 61 UNP P29373 62 T +ATOM 478 O OG1 . THR A 1 61 ? 19.563 27.976 27.874 1.00 14.13 ? 61 THR A OG1 1 61 UNP P29373 62 T +ATOM 479 C CG2 . THR A 1 61 ? 18.889 29.336 26.012 1.00 14.15 ? 61 THR A CG2 1 61 UNP P29373 62 T +ATOM 480 N N . GLU A 1 62 ? 18.878 30.828 30.382 1.00 12.14 ? 62 GLU A N 1 62 UNP P29373 63 E +ATOM 481 C CA . GLU A 1 62 ? 18.749 30.698 31.833 1.00 12.88 ? 62 GLU A CA 1 62 UNP P29373 63 E +ATOM 482 C C . GLU A 1 62 ? 17.283 30.444 32.100 1.00 12.21 ? 62 GLU A C 1 62 UNP P29373 63 E +ATOM 483 O O . GLU A 1 62 ? 16.450 31.270 31.745 1.00 13.95 ? 62 GLU A O 1 62 UNP P29373 63 E +ATOM 484 C CB . GLU A 1 62 ? 19.151 31.990 32.538 1.00 16.15 ? 62 GLU A CB 1 62 UNP P29373 63 E +ATOM 485 C CG . GLU A 1 62 ? 20.585 32.344 32.326 1.00 23.65 ? 62 GLU A CG 1 62 UNP P29373 63 E +ATOM 486 C CD . GLU A 1 62 ? 20.961 33.649 32.979 1.00 29.90 ? 62 GLU A CD 1 62 UNP P29373 63 E +ATOM 487 O OE1 . GLU A 1 62 ? 20.969 33.703 34.229 1.00 31.84 ? 62 GLU A OE1 1 62 UNP P29373 63 E +ATOM 488 O OE2 . GLU A 1 62 ? 21.258 34.616 32.236 1.00 33.89 ? 62 GLU A OE2 1 62 UNP P29373 63 E +ATOM 489 N N . ILE A 1 63 ? 16.943 29.292 32.657 1.00 10.43 ? 63 ILE A N 1 63 UNP P29373 64 I +ATOM 490 C CA . ILE A 1 63 ? 15.548 29.021 32.946 1.00 11.02 ? 63 ILE A CA 1 63 UNP P29373 64 I +ATOM 491 C C . ILE A 1 63 ? 15.352 28.816 34.446 1.00 11.60 ? 63 ILE A C 1 63 UNP P29373 64 I +ATOM 492 O O . ILE A 1 63 ? 16.286 28.434 35.144 1.00 9.20 ? 63 ILE A O 1 63 UNP P29373 64 I +ATOM 493 C CB . ILE A 1 63 ? 14.976 27.816 32.125 1.00 11.28 ? 63 ILE A CB 1 63 UNP P29373 64 I +ATOM 494 C CG1 . ILE A 1 63 ? 15.717 26.519 32.431 1.00 10.60 ? 63 ILE A CG1 1 63 UNP P29373 64 I +ATOM 495 C CG2 . ILE A 1 63 ? 15.020 28.129 30.638 1.00 11.62 ? 63 ILE A CG2 1 63 UNP P29373 64 I +ATOM 496 C CD1 . ILE A 1 63 ? 15.126 25.293 31.720 1.00 13.40 ? 63 ILE A CD1 1 63 UNP P29373 64 I +ATOM 497 N N . ASN A 1 64 ? 14.184 29.219 34.933 1.00 12.13 ? 64 ASN A N 1 64 UNP P29373 65 N +ATOM 498 C CA . ASN A 1 64 ? 13.824 29.083 36.343 1.00 14.79 ? 64 ASN A CA 1 64 UNP P29373 65 N +ATOM 499 C C . ASN A 1 64 ? 12.451 28.441 36.375 1.00 13.29 ? 64 ASN A C 1 64 UNP P29373 65 N +ATOM 500 O O . ASN A 1 64 ? 11.490 28.976 35.802 1.00 13.29 ? 64 ASN A O 1 64 UNP P29373 65 N +ATOM 501 C CB . ASN A 1 64 ? 13.732 30.450 37.054 1.00 16.87 ? 64 ASN A CB 1 64 UNP P29373 65 N +ATOM 502 C CG . ASN A 1 64 ? 15.079 31.089 37.279 1.00 20.91 ? 64 ASN A CG 1 64 UNP P29373 65 N +ATOM 503 O OD1 . ASN A 1 64 ? 15.775 30.764 38.238 1.00 22.91 ? 64 ASN A OD1 1 64 UNP P29373 65 N +ATOM 504 N ND2 . ASN A 1 64 ? 15.459 32.007 36.393 1.00 22.20 ? 64 ASN A ND2 1 64 UNP P29373 65 N +ATOM 505 N N . PHE A 1 65 ? 12.347 27.301 37.044 1.00 12.90 ? 65 PHE A N 1 65 UNP P29373 66 F +ATOM 506 C CA . PHE A 1 65 ? 11.058 26.641 37.132 1.00 12.63 ? 65 PHE A CA 1 65 UNP P29373 66 F +ATOM 507 C C . PHE A 1 65 ? 10.858 25.841 38.410 1.00 13.07 ? 65 PHE A C 1 65 UNP P29373 66 F +ATOM 508 O O . PHE A 1 65 ? 11.811 25.531 39.121 1.00 12.50 ? 65 PHE A O 1 65 UNP P29373 66 F +ATOM 509 C CB . PHE A 1 65 ? 10.829 25.731 35.922 1.00 11.31 ? 65 PHE A CB 1 65 UNP P29373 66 F +ATOM 510 C CG . PHE A 1 65 ? 11.794 24.586 35.825 1.00 12.32 ? 65 PHE A CG 1 65 UNP P29373 66 F +ATOM 511 C CD1 . PHE A 1 65 ? 11.549 23.386 36.494 1.00 10.31 ? 65 PHE A CD1 1 65 UNP P29373 66 F +ATOM 512 C CD2 . PHE A 1 65 ? 12.947 24.706 35.070 1.00 11.23 ? 65 PHE A CD2 1 65 UNP P29373 66 F +ATOM 513 C CE1 . PHE A 1 65 ? 12.441 22.329 36.413 1.00 11.00 ? 65 PHE A CE1 1 65 UNP P29373 66 F +ATOM 514 C CE2 . PHE A 1 65 ? 13.847 23.645 34.984 1.00 11.69 ? 65 PHE A CE2 1 65 UNP P29373 66 F +ATOM 515 C CZ . PHE A 1 65 ? 13.593 22.461 35.655 1.00 12.20 ? 65 PHE A CZ 1 65 UNP P29373 66 F +ATOM 516 N N . LYS A 1 66 ? 9.599 25.560 38.713 1.00 13.15 ? 66 LYS A N 1 66 UNP P29373 67 K +ATOM 517 C CA . LYS A 1 66 ? 9.251 24.735 39.849 1.00 13.41 ? 66 LYS A CA 1 66 UNP P29373 67 K +ATOM 518 C C . LYS A 1 66 ? 8.555 23.552 39.178 1.00 12.17 ? 66 LYS A C 1 66 UNP P29373 67 K +ATOM 519 O O . LYS A 1 66 ? 7.763 23.747 38.251 1.00 12.93 ? 66 LYS A O 1 66 UNP P29373 67 K +ATOM 520 C CB . LYS A 1 66 ? 8.313 25.498 40.800 1.00 16.68 ? 66 LYS A CB 1 66 UNP P29373 67 K +ATOM 521 C CG . LYS A 1 66 ? 7.722 24.639 41.907 1.00 24.60 ? 66 LYS A CG 1 66 UNP P29373 67 K +ATOM 522 C CD . LYS A 1 66 ? 7.391 25.453 43.165 1.00 28.53 ? 66 LYS A CD 1 66 UNP P29373 67 K +ATOM 523 C CE . LYS A 1 66 ? 6.664 24.585 44.213 1.00 32.17 ? 66 LYS A CE 1 66 UNP P29373 67 K +ATOM 524 N NZ . LYS A 1 66 ? 7.393 23.332 44.604 1.00 32.54 ? 66 LYS A NZ 1 66 UNP P29373 67 K +ATOM 525 N N . VAL A 1 67 ? 8.918 22.329 39.562 1.00 11.82 ? 67 VAL A N 1 67 UNP P29373 68 V +ATOM 526 C CA . VAL A 1 67 ? 8.295 21.141 38.975 1.00 10.93 ? 67 VAL A CA 1 67 UNP P29373 68 V +ATOM 527 C C . VAL A 1 67 ? 6.783 21.174 39.226 1.00 11.97 ? 67 VAL A C 1 67 UNP P29373 68 V +ATOM 528 O O . VAL A 1 67 ? 6.343 21.480 40.342 1.00 13.54 ? 67 VAL A O 1 67 UNP P29373 68 V +ATOM 529 C CB . VAL A 1 67 ? 8.908 19.827 39.541 1.00 10.09 ? 67 VAL A CB 1 67 UNP P29373 68 V +ATOM 530 C CG1 . VAL A 1 67 ? 8.271 18.617 38.883 1.00 10.96 ? 67 VAL A CG1 1 67 UNP P29373 68 V +ATOM 531 C CG2 . VAL A 1 67 ? 10.410 19.808 39.320 1.00 10.21 ? 67 VAL A CG2 1 67 UNP P29373 68 V +ATOM 532 N N . GLY A 1 68 ? 6.006 20.965 38.160 1.00 9.80 ? 68 GLY A N 1 68 UNP P29373 69 G +ATOM 533 C CA . GLY A 1 68 ? 4.557 20.962 38.265 1.00 9.33 ? 68 GLY A CA 1 68 UNP P29373 69 G +ATOM 534 C C . GLY A 1 68 ? 3.887 22.298 38.031 1.00 10.60 ? 68 GLY A C 1 68 UNP P29373 69 G +ATOM 535 O O . GLY A 1 68 ? 2.653 22.389 38.039 1.00 11.93 ? 68 GLY A O 1 68 UNP P29373 69 G +ATOM 536 N N . GLU A 1 69 ? 4.688 23.337 37.809 1.00 11.12 ? 69 GLU A N 1 69 UNP P29373 70 E +ATOM 537 C CA . GLU A 1 69 ? 4.165 24.682 37.553 1.00 12.64 ? 69 GLU A CA 1 69 UNP P29373 70 E +ATOM 538 C C . GLU A 1 69 ? 4.604 25.185 36.184 1.00 13.09 ? 69 GLU A C 1 69 UNP P29373 70 E +ATOM 539 O O . GLU A 1 69 ? 5.774 25.107 35.820 1.00 12.17 ? 69 GLU A O 1 69 UNP P29373 70 E +ATOM 540 C CB . GLU A 1 69 ? 4.578 25.642 38.668 1.00 12.20 ? 69 GLU A CB 1 69 UNP P29373 70 E +ATOM 541 C CG . GLU A 1 69 ? 3.857 25.282 39.964 1.00 17.44 ? 69 GLU A CG 1 69 UNP P29373 70 E +ATOM 542 C CD . GLU A 1 69 ? 4.116 26.211 41.138 1.00 21.02 ? 69 GLU A CD 1 69 UNP P29373 70 E +ATOM 543 O OE1 . GLU A 1 69 ? 4.496 27.384 40.945 1.00 21.43 ? 69 GLU A OE1 1 69 UNP P29373 70 E +ATOM 544 O OE2 . GLU A 1 69 ? 3.902 25.753 42.282 1.00 23.44 ? 69 GLU A OE2 1 69 UNP P29373 70 E +ATOM 545 N N . GLU A 1 70 ? 3.633 25.622 35.397 1.00 14.53 ? 70 GLU A N 1 70 UNP P29373 71 E +ATOM 546 C CA . GLU A 1 70 ? 3.912 26.102 34.059 1.00 15.80 ? 70 GLU A CA 1 70 UNP P29373 71 E +ATOM 547 C C . GLU A 1 70 ? 4.816 27.329 34.007 1.00 13.72 ? 70 GLU A C 1 70 UNP P29373 71 E +ATOM 548 O O . GLU A 1 70 ? 4.761 28.208 34.863 1.00 13.66 ? 70 GLU A O 1 70 UNP P29373 71 E +ATOM 549 C CB . GLU A 1 70 ? 2.606 26.359 33.320 1.00 19.99 ? 70 GLU A CB 1 70 UNP P29373 71 E +ATOM 550 C CG . GLU A 1 70 ? 2.814 26.634 31.851 1.00 28.23 ? 70 GLU A CG 1 70 UNP P29373 71 E +ATOM 551 C CD . GLU A 1 70 ? 1.518 26.678 31.097 1.00 32.73 ? 70 GLU A CD 1 70 UNP P29373 71 E +ATOM 552 O OE1 . GLU A 1 70 ? 0.975 25.589 30.789 1.00 35.76 ? 70 GLU A OE1 1 70 UNP P29373 71 E +ATOM 553 O OE2 . GLU A 1 70 ? 1.045 27.802 30.823 1.00 35.75 ? 70 GLU A OE2 1 70 UNP P29373 71 E +ATOM 554 N N . PHE A 1 71 ? 5.713 27.340 33.028 1.00 12.80 ? 71 PHE A N 1 71 UNP P29373 72 F +ATOM 555 C CA . PHE A 1 71 ? 6.638 28.448 32.837 1.00 12.36 ? 71 PHE A CA 1 71 UNP P29373 72 F +ATOM 556 C C . PHE A 1 71 ? 6.856 28.678 31.350 1.00 12.97 ? 71 PHE A C 1 71 UNP P29373 72 F +ATOM 557 O O . PHE A 1 71 ? 6.382 27.917 30.516 1.00 12.54 ? 71 PHE A O 1 71 UNP P29373 72 F +ATOM 558 C CB . PHE A 1 71 ? 7.975 28.243 33.589 1.00 10.02 ? 71 PHE A CB 1 71 UNP P29373 72 F +ATOM 559 C CG . PHE A 1 71 ? 8.851 27.148 33.033 1.00 10.48 ? 71 PHE A CG 1 71 UNP P29373 72 F +ATOM 560 C CD1 . PHE A 1 71 ? 8.549 25.815 33.256 1.00 9.95 ? 71 PHE A CD1 1 71 UNP P29373 72 F +ATOM 561 C CD2 . PHE A 1 71 ? 10.006 27.459 32.331 1.00 9.29 ? 71 PHE A CD2 1 71 UNP P29373 72 F +ATOM 562 C CE1 . PHE A 1 71 ? 9.380 24.811 32.793 1.00 9.74 ? 71 PHE A CE1 1 71 UNP P29373 72 F +ATOM 563 C CE2 . PHE A 1 71 ? 10.832 26.464 31.868 1.00 9.51 ? 71 PHE A CE2 1 71 UNP P29373 72 F +ATOM 564 C CZ . PHE A 1 71 ? 10.518 25.136 32.102 1.00 8.47 ? 71 PHE A CZ 1 71 UNP P29373 72 F +ATOM 565 N N . GLU A 1 72 ? 7.581 29.733 31.028 1.00 15.04 ? 72 GLU A N 1 72 UNP P29373 73 E +ATOM 566 C CA . GLU A 1 72 ? 7.826 30.063 29.644 1.00 17.19 ? 72 GLU A CA 1 72 UNP P29373 73 E +ATOM 567 C C . GLU A 1 72 ? 9.323 30.036 29.357 1.00 15.53 ? 72 GLU A C 1 72 UNP P29373 73 E +ATOM 568 O O . GLU A 1 72 ? 10.130 30.511 30.158 1.00 16.16 ? 72 GLU A O 1 72 UNP P29373 73 E +ATOM 569 C CB . GLU A 1 72 ? 7.248 31.448 29.379 1.00 22.03 ? 72 GLU A CB 1 72 UNP P29373 73 E +ATOM 570 C CG . GLU A 1 72 ? 6.700 31.658 28.002 1.00 30.80 ? 72 GLU A CG 1 72 UNP P29373 73 E +ATOM 571 C CD . GLU A 1 72 ? 6.157 33.060 27.827 1.00 34.75 ? 72 GLU A CD 1 72 UNP P29373 73 E +ATOM 572 O OE1 . GLU A 1 72 ? 5.014 33.309 28.276 1.00 35.88 ? 72 GLU A OE1 1 72 UNP P29373 73 E +ATOM 573 O OE2 . GLU A 1 72 ? 6.885 33.912 27.255 1.00 38.91 ? 72 GLU A OE2 1 72 UNP P29373 73 E +ATOM 574 N N . GLU A 1 73 ? 9.691 29.378 28.263 1.00 13.46 ? 73 GLU A N 1 73 UNP P29373 74 E +ATOM 575 C CA . GLU A 1 73 ? 11.088 29.302 27.836 1.00 13.89 ? 73 GLU A CA 1 73 UNP P29373 74 E +ATOM 576 C C . GLU A 1 73 ? 11.083 29.318 26.301 1.00 13.70 ? 73 GLU A C 1 73 UNP P29373 74 E +ATOM 577 O O . GLU A 1 73 ? 10.159 29.859 25.690 1.00 13.63 ? 73 GLU A O 1 73 UNP P29373 74 E +ATOM 578 C CB . GLU A 1 73 ? 11.780 28.032 28.379 1.00 12.63 ? 73 GLU A CB 1 73 UNP P29373 74 E +ATOM 579 C CG . GLU A 1 73 ? 11.145 26.706 27.986 1.00 10.55 ? 73 GLU A CG 1 73 UNP P29373 74 E +ATOM 580 C CD . GLU A 1 73 ? 11.997 25.499 28.366 1.00 8.94 ? 73 GLU A CD 1 73 UNP P29373 74 E +ATOM 581 O OE1 . GLU A 1 73 ? 13.191 25.650 28.642 1.00 12.29 ? 73 GLU A OE1 1 73 UNP P29373 74 E +ATOM 582 O OE2 . GLU A 1 73 ? 11.485 24.374 28.363 1.00 10.37 ? 73 GLU A OE2 1 73 UNP P29373 74 E +ATOM 583 N N . GLN A 1 74 ? 12.115 28.751 25.685 1.00 13.09 ? 74 GLN A N 1 74 UNP P29373 75 Q +ATOM 584 C CA . GLN A 1 74 ? 12.187 28.691 24.239 1.00 13.16 ? 74 GLN A CA 1 74 UNP P29373 75 Q +ATOM 585 C C . GLN A 1 74 ? 12.618 27.315 23.806 1.00 12.86 ? 74 GLN A C 1 74 UNP P29373 75 Q +ATOM 586 O O . GLN A 1 74 ? 13.290 26.596 24.552 1.00 13.17 ? 74 GLN A O 1 74 UNP P29373 75 Q +ATOM 587 C CB . GLN A 1 74 ? 13.218 29.685 23.706 1.00 15.91 ? 74 GLN A CB 1 74 UNP P29373 75 Q +ATOM 588 C CG . GLN A 1 74 ? 12.803 31.133 23.779 1.00 19.68 ? 74 GLN A CG 1 74 UNP P29373 75 Q +ATOM 589 C CD . GLN A 1 74 ? 13.827 32.066 23.159 1.00 21.00 ? 74 GLN A CD 1 74 UNP P29373 75 Q +ATOM 590 O OE1 . GLN A 1 74 ? 15.010 31.730 23.024 1.00 22.37 ? 74 GLN A OE1 1 74 UNP P29373 75 Q +ATOM 591 N NE2 . GLN A 1 74 ? 13.373 33.247 22.774 1.00 24.07 ? 74 GLN A NE2 1 74 UNP P29373 75 Q +ATOM 592 N N . THR A 1 75 ? 12.229 26.935 22.600 1.00 10.98 ? 75 THR A N 1 75 UNP P29373 76 T +ATOM 593 C CA . THR A 1 75 ? 12.664 25.656 22.056 1.00 11.83 ? 75 THR A CA 1 75 UNP P29373 76 T +ATOM 594 C C . THR A 1 75 ? 14.162 25.828 21.729 1.00 11.24 ? 75 THR A C 1 75 UNP P29373 76 T +ATOM 595 O O . THR A 1 75 ? 14.681 26.951 21.764 1.00 9.95 ? 75 THR A O 1 75 UNP P29373 76 T +ATOM 596 C CB . THR A 1 75 ? 11.895 25.325 20.757 1.00 11.93 ? 75 THR A CB 1 75 UNP P29373 76 T +ATOM 597 O OG1 . THR A 1 75 ? 12.123 26.366 19.795 1.00 13.31 ? 75 THR A OG1 1 75 UNP P29373 76 T +ATOM 598 C CG2 . THR A 1 75 ? 10.396 25.202 21.042 1.00 13.29 ? 75 THR A CG2 1 75 UNP P29373 76 T +ATOM 599 N N . VAL A 1 76 ? 14.841 24.731 21.377 1.00 13.77 ? 76 VAL A N 1 76 UNP P29373 77 V +ATOM 600 C CA . VAL A 1 76 ? 16.278 24.762 21.049 1.00 14.39 ? 76 VAL A CA 1 76 UNP P29373 77 V +ATOM 601 C C . VAL A 1 76 ? 16.612 25.734 19.914 1.00 12.97 ? 76 VAL A C 1 76 UNP P29373 77 V +ATOM 602 O O . VAL A 1 76 ? 17.639 26.407 19.956 1.00 13.75 ? 76 VAL A O 1 76 UNP P29373 77 V +ATOM 603 C CB . VAL A 1 76 ? 16.827 23.351 20.680 1.00 15.44 ? 76 VAL A CB 1 76 UNP P29373 77 V +ATOM 604 C CG1 . VAL A 1 76 ? 18.332 23.314 20.844 1.00 17.74 ? 76 VAL A CG1 1 76 UNP P29373 77 V +ATOM 605 C CG2 . VAL A 1 76 ? 16.218 22.293 21.548 1.00 19.99 ? 76 VAL A CG2 1 76 UNP P29373 77 V +ATOM 606 N N . ASP A 1 77 ? 15.730 25.824 18.921 1.00 13.67 ? 77 ASP A N 1 77 UNP P29373 78 D +ATOM 607 C CA . ASP A 1 77 ? 15.933 26.727 17.789 1.00 14.47 ? 77 ASP A CA 1 77 UNP P29373 78 D +ATOM 608 C C . ASP A 1 77 ? 15.486 28.172 18.061 1.00 15.23 ? 77 ASP A C 1 77 UNP P29373 78 D +ATOM 609 O O . ASP A 1 77 ? 15.461 29.002 17.153 1.00 14.90 ? 77 ASP A O 1 77 UNP P29373 78 D +ATOM 610 C CB . ASP A 1 77 ? 15.301 26.158 16.503 1.00 15.63 ? 77 ASP A CB 1 77 UNP P29373 78 D +ATOM 611 C CG . ASP A 1 77 ? 13.790 26.007 16.585 1.00 15.92 ? 77 ASP A CG 1 77 UNP P29373 78 D +ATOM 612 O OD1 . ASP A 1 77 ? 13.260 25.470 17.586 1.00 14.64 ? 77 ASP A OD1 1 77 UNP P29373 78 D +ATOM 613 O OD2 . ASP A 1 77 ? 13.123 26.409 15.613 1.00 17.79 ? 77 ASP A OD2 1 77 UNP P29373 78 D +ATOM 614 N N . GLY A 1 78 ? 15.095 28.445 19.312 1.00 15.17 ? 78 GLY A N 1 78 UNP P29373 79 G +ATOM 615 C CA . GLY A 1 78 ? 14.709 29.790 19.726 1.00 15.90 ? 78 GLY A CA 1 78 UNP P29373 79 G +ATOM 616 C C . GLY A 1 78 ? 13.268 30.281 19.701 1.00 16.89 ? 78 GLY A C 1 78 UNP P29373 79 G +ATOM 617 O O . GLY A 1 78 ? 13.038 31.489 19.790 1.00 19.37 ? 78 GLY A O 1 78 UNP P29373 79 G +ATOM 618 N N . ARG A 1 79 ? 12.292 29.389 19.620 1.00 16.76 ? 79 ARG A N 1 79 UNP P29373 80 R +ATOM 619 C CA . ARG A 1 79 ? 10.896 29.822 19.587 1.00 18.08 ? 79 ARG A CA 1 79 UNP P29373 80 R +ATOM 620 C C . ARG A 1 79 ? 10.229 29.768 20.961 1.00 16.55 ? 79 ARG A C 1 79 UNP P29373 80 R +ATOM 621 O O . ARG A 1 79 ? 10.379 28.787 21.680 1.00 16.57 ? 79 ARG A O 1 79 UNP P29373 80 R +ATOM 622 C CB . ARG A 1 79 ? 10.112 28.961 18.604 1.00 20.74 ? 79 ARG A CB 1 79 UNP P29373 80 R +ATOM 623 C CG . ARG A 1 79 ? 10.667 28.997 17.194 1.00 25.89 ? 79 ARG A CG 1 79 UNP P29373 80 R +ATOM 624 C CD . ARG A 1 79 ? 9.986 27.976 16.310 1.00 29.77 ? 79 ARG A CD 1 79 UNP P29373 80 R +ATOM 625 N NE . ARG A 1 79 ? 10.144 26.626 16.842 1.00 34.52 ? 79 ARG A NE 1 79 UNP P29373 80 R +ATOM 626 C CZ . ARG A 1 79 ? 10.128 25.516 16.109 1.00 35.90 ? 79 ARG A CZ 1 79 UNP P29373 80 R +ATOM 627 N NH1 . ARG A 1 79 ? 9.971 25.580 14.789 1.00 37.70 ? 79 ARG A NH1 1 79 UNP P29373 80 R +ATOM 628 N NH2 . ARG A 1 79 ? 10.266 24.337 16.702 1.00 35.58 ? 79 ARG A NH2 1 79 UNP P29373 80 R +ATOM 629 N N . PRO A 1 80 ? 9.501 30.830 21.352 1.00 15.98 ? 80 PRO A N 1 80 UNP P29373 81 P +ATOM 630 C CA . PRO A 1 80 ? 8.819 30.867 22.651 1.00 15.47 ? 80 PRO A CA 1 80 UNP P29373 81 P +ATOM 631 C C . PRO A 1 80 ? 7.825 29.725 22.833 1.00 14.23 ? 80 PRO A C 1 80 UNP P29373 81 P +ATOM 632 O O . PRO A 1 80 ? 7.058 29.393 21.926 1.00 14.56 ? 80 PRO A O 1 80 UNP P29373 81 P +ATOM 633 C CB . PRO A 1 80 ? 8.100 32.220 22.628 1.00 15.48 ? 80 PRO A CB 1 80 UNP P29373 81 P +ATOM 634 C CG . PRO A 1 80 ? 9.010 33.057 21.846 1.00 18.18 ? 80 PRO A CG 1 80 UNP P29373 81 P +ATOM 635 C CD . PRO A 1 80 ? 9.418 32.145 20.696 1.00 17.08 ? 80 PRO A CD 1 80 UNP P29373 81 P +ATOM 636 N N . CYS A 1 81 ? 7.817 29.148 24.028 1.00 13.52 ? 81 CYS A N 1 81 UNP P29373 82 C +ATOM 637 C CA . CYS A 1 81 ? 6.914 28.055 24.331 1.00 12.41 ? 81 CYS A CA 1 81 UNP P29373 82 C +ATOM 638 C C . CYS A 1 81 ? 6.548 28.054 25.811 1.00 12.52 ? 81 CYS A C 1 81 UNP P29373 82 C +ATOM 639 O O . CYS A 1 81 ? 7.202 28.718 26.624 1.00 11.74 ? 81 CYS A O 1 81 UNP P29373 82 C +ATOM 640 C CB . CYS A 1 81 ? 7.563 26.705 23.950 1.00 11.59 ? 81 CYS A CB 1 81 UNP P29373 82 C +ATOM 641 S SG . CYS A 1 81 ? 9.063 26.255 24.894 1.00 12.86 ? 81 CYS A SG 1 81 UNP P29373 82 C +ATOM 642 N N . LYS A 1 82 ? 5.448 27.379 26.121 1.00 13.86 ? 82 LYS A N 1 82 UNP P29373 83 K +ATOM 643 C CA . LYS A 1 82 ? 4.988 27.197 27.492 1.00 14.38 ? 82 LYS A CA 1 82 UNP P29373 83 K +ATOM 644 C C . LYS A 1 82 ? 5.436 25.779 27.839 1.00 13.51 ? 82 LYS A C 1 82 UNP P29373 83 K +ATOM 645 O O . LYS A 1 82 ? 5.227 24.842 27.063 1.00 12.69 ? 82 LYS A O 1 82 UNP P29373 83 K +ATOM 646 C CB . LYS A 1 82 ? 3.473 27.299 27.589 1.00 18.36 ? 82 LYS A CB 1 82 UNP P29373 83 K +ATOM 647 C CG . LYS A 1 82 ? 2.940 28.716 27.584 1.00 26.02 ? 82 LYS A CG 1 82 UNP P29373 83 K +ATOM 648 C CD . LYS A 1 82 ? 3.353 29.506 28.826 1.00 31.13 ? 82 LYS A CD 1 82 UNP P29373 83 K +ATOM 649 C CE . LYS A 1 82 ? 2.686 30.894 28.832 1.00 35.39 ? 82 LYS A CE 1 82 UNP P29373 83 K +ATOM 650 N NZ . LYS A 1 82 ? 2.868 31.652 30.120 1.00 37.63 ? 82 LYS A NZ 1 82 UNP P29373 83 K +ATOM 651 N N . SER A 1 83 ? 6.110 25.638 28.974 1.00 11.15 ? 83 SER A N 1 83 UNP P29373 84 S +ATOM 652 C CA . SER A 1 83 ? 6.624 24.352 29.397 1.00 10.10 ? 83 SER A CA 1 83 UNP P29373 84 S +ATOM 653 C C . SER A 1 83 ? 6.083 23.931 30.752 1.00 11.16 ? 83 SER A C 1 83 UNP P29373 84 S +ATOM 654 O O . SER A 1 83 ? 5.721 24.769 31.575 1.00 10.21 ? 83 SER A O 1 83 UNP P29373 84 S +ATOM 655 C CB . SER A 1 83 ? 8.149 24.418 29.446 1.00 10.30 ? 83 SER A CB 1 83 UNP P29373 84 S +ATOM 656 O OG . SER A 1 83 ? 8.686 24.518 28.132 1.00 11.50 ? 83 SER A OG 1 83 UNP P29373 84 S +ATOM 657 N N . LEU A 1 84 ? 6.028 22.620 30.954 1.00 11.17 ? 84 LEU A N 1 84 UNP P29373 85 L +ATOM 658 C CA . LEU A 1 84 ? 5.557 22.016 32.192 1.00 11.84 ? 84 LEU A CA 1 84 UNP P29373 85 L +ATOM 659 C C . LEU A 1 84 ? 6.427 20.793 32.470 1.00 10.42 ? 84 LEU A C 1 84 UNP P29373 85 L +ATOM 660 O O . LEU A 1 84 ? 6.444 19.846 31.684 1.00 11.20 ? 84 LEU A O 1 84 UNP P29373 85 L +ATOM 661 C CB . LEU A 1 84 ? 4.091 21.576 32.067 1.00 13.44 ? 84 LEU A CB 1 84 UNP P29373 85 L +ATOM 662 C CG . LEU A 1 84 ? 3.552 20.784 33.270 1.00 15.74 ? 84 LEU A CG 1 84 UNP P29373 85 L +ATOM 663 C CD1 . LEU A 1 84 ? 3.515 21.683 34.484 1.00 16.96 ? 84 LEU A CD1 1 84 UNP P29373 85 L +ATOM 664 C CD2 . LEU A 1 84 ? 2.178 20.231 32.982 1.00 18.76 ? 84 LEU A CD2 1 84 UNP P29373 85 L +ATOM 665 N N . VAL A 1 85 ? 7.146 20.828 33.589 1.00 9.60 ? 85 VAL A N 1 85 UNP P29373 86 V +ATOM 666 C CA . VAL A 1 85 ? 8.028 19.738 34.006 1.00 9.50 ? 85 VAL A CA 1 85 UNP P29373 86 V +ATOM 667 C C . VAL A 1 85 ? 7.344 18.878 35.082 1.00 9.74 ? 85 VAL A C 1 85 UNP P29373 86 V +ATOM 668 O O . VAL A 1 85 ? 6.680 19.404 35.985 1.00 9.28 ? 85 VAL A O 1 85 UNP P29373 86 V +ATOM 669 C CB . VAL A 1 85 ? 9.384 20.291 34.598 1.00 8.89 ? 85 VAL A CB 1 85 UNP P29373 86 V +ATOM 670 C CG1 . VAL A 1 85 ? 10.327 19.140 34.970 1.00 8.20 ? 85 VAL A CG1 1 85 UNP P29373 86 V +ATOM 671 C CG2 . VAL A 1 85 ? 10.062 21.227 33.612 1.00 8.48 ? 85 VAL A CG2 1 85 UNP P29373 86 V +ATOM 672 N N . LYS A 1 86 ? 7.504 17.563 34.971 1.00 9.96 ? 86 LYS A N 1 86 UNP P29373 87 K +ATOM 673 C CA . LYS A 1 86 ? 6.946 16.621 35.945 1.00 11.92 ? 86 LYS A CA 1 86 UNP P29373 87 K +ATOM 674 C C . LYS A 1 86 ? 8.003 15.558 36.247 1.00 11.88 ? 86 LYS A C 1 86 UNP P29373 87 K +ATOM 675 O O . LYS A 1 86 ? 8.917 15.340 35.453 1.00 11.00 ? 86 LYS A O 1 86 UNP P29373 87 K +ATOM 676 C CB . LYS A 1 86 ? 5.700 15.911 35.385 1.00 12.40 ? 86 LYS A CB 1 86 UNP P29373 87 K +ATOM 677 C CG . LYS A 1 86 ? 4.538 16.819 35.058 1.00 16.01 ? 86 LYS A CG 1 86 UNP P29373 87 K +ATOM 678 C CD . LYS A 1 86 ? 3.333 16.017 34.559 1.00 21.36 ? 86 LYS A CD 1 86 UNP P29373 87 K +ATOM 679 C CE . LYS A 1 86 ? 2.140 16.939 34.345 1.00 23.23 ? 86 LYS A CE 1 86 UNP P29373 87 K +ATOM 680 N NZ . LYS A 1 86 ? 0.919 16.212 33.929 1.00 28.41 ? 86 LYS A NZ 1 86 UNP P29373 87 K +ATOM 681 N N . TRP A 1 87 ? 7.868 14.889 37.386 1.00 10.75 ? 87 TRP A N 1 87 UNP P29373 88 W +ATOM 682 C CA . TRP A 1 87 ? 8.775 13.811 37.738 1.00 9.53 ? 87 TRP A CA 1 87 UNP P29373 88 W +ATOM 683 C C . TRP A 1 87 ? 8.238 12.559 37.052 1.00 9.89 ? 87 TRP A C 1 87 UNP P29373 88 W +ATOM 684 O O . TRP A 1 87 ? 7.144 12.107 37.370 1.00 11.80 ? 87 TRP A O 1 87 UNP P29373 88 W +ATOM 685 C CB . TRP A 1 87 ? 8.791 13.569 39.268 1.00 8.76 ? 87 TRP A CB 1 87 UNP P29373 88 W +ATOM 686 C CG . TRP A 1 87 ? 9.494 14.641 40.062 1.00 8.86 ? 87 TRP A CG 1 87 UNP P29373 88 W +ATOM 687 C CD1 . TRP A 1 87 ? 8.923 15.525 40.939 1.00 8.80 ? 87 TRP A CD1 1 87 UNP P29373 88 W +ATOM 688 C CD2 . TRP A 1 87 ? 10.889 14.990 39.992 1.00 9.42 ? 87 TRP A CD2 1 87 UNP P29373 88 W +ATOM 689 N NE1 . TRP A 1 87 ? 9.872 16.410 41.400 1.00 8.01 ? 87 TRP A NE1 1 87 UNP P29373 88 W +ATOM 690 C CE2 . TRP A 1 87 ? 11.086 16.103 40.835 1.00 10.85 ? 87 TRP A CE2 1 87 UNP P29373 88 W +ATOM 691 C CE3 . TRP A 1 87 ? 11.985 14.475 39.283 1.00 9.60 ? 87 TRP A CE3 1 87 UNP P29373 88 W +ATOM 692 C CZ2 . TRP A 1 87 ? 12.340 16.716 40.994 1.00 11.45 ? 87 TRP A CZ2 1 87 UNP P29373 88 W +ATOM 693 C CZ3 . TRP A 1 87 ? 13.230 15.084 39.438 1.00 10.72 ? 87 TRP A CZ3 1 87 UNP P29373 88 W +ATOM 694 C CH2 . TRP A 1 87 ? 13.395 16.192 40.289 1.00 11.78 ? 87 TRP A CH2 1 87 UNP P29373 88 W +ATOM 695 N N . GLU A 1 88 ? 8.954 12.040 36.064 1.00 9.93 ? 88 GLU A N 1 88 UNP P29373 89 E +ATOM 696 C CA . GLU A 1 88 ? 8.526 10.807 35.416 1.00 11.30 ? 88 GLU A CA 1 88 UNP P29373 89 E +ATOM 697 C C . GLU A 1 88 ? 8.826 9.726 36.448 1.00 11.75 ? 88 GLU A C 1 88 UNP P29373 89 E +ATOM 698 O O . GLU A 1 88 ? 8.068 8.784 36.623 1.00 12.78 ? 88 GLU A O 1 88 UNP P29373 89 E +ATOM 699 C CB . GLU A 1 88 ? 9.337 10.541 34.156 1.00 13.50 ? 88 GLU A CB 1 88 UNP P29373 89 E +ATOM 700 C CG . GLU A 1 88 ? 8.917 9.261 33.454 1.00 18.67 ? 88 GLU A CG 1 88 UNP P29373 89 E +ATOM 701 C CD . GLU A 1 88 ? 9.756 8.958 32.226 1.00 23.49 ? 88 GLU A CD 1 88 UNP P29373 89 E +ATOM 702 O OE1 . GLU A 1 88 ? 9.581 9.650 31.205 1.00 26.53 ? 88 GLU A OE1 1 88 UNP P29373 89 E +ATOM 703 O OE2 . GLU A 1 88 ? 10.587 8.025 32.276 1.00 26.54 ? 88 GLU A OE2 1 88 UNP P29373 89 E +ATOM 704 N N . SER A 1 89 ? 9.972 9.870 37.103 1.00 11.49 ? 89 SER A N 1 89 UNP P29373 90 S +ATOM 705 C CA . SER A 1 89 ? 10.402 8.954 38.158 1.00 11.10 ? 89 SER A CA 1 89 UNP P29373 90 S +ATOM 706 C C . SER A 1 89 ? 11.206 9.776 39.163 1.00 11.14 ? 89 SER A C 1 89 UNP P29373 90 S +ATOM 707 O O . SER A 1 89 ? 11.397 10.983 38.979 1.00 9.92 ? 89 SER A O 1 89 UNP P29373 90 S +ATOM 708 C CB . SER A 1 89 ? 11.221 7.778 37.604 1.00 12.43 ? 89 SER A CB 1 89 UNP P29373 90 S +ATOM 709 O OG . SER A 1 89 ? 12.396 8.215 36.947 1.00 14.39 ? 89 SER A OG 1 89 UNP P29373 90 S +ATOM 710 N N . GLU A 1 90 ? 11.674 9.130 40.227 1.00 10.17 ? 90 GLU A N 1 90 UNP P29373 91 E +ATOM 711 C CA . GLU A 1 90 ? 12.433 9.826 41.254 1.00 10.83 ? 90 GLU A CA 1 90 UNP P29373 91 E +ATOM 712 C C . GLU A 1 90 ? 13.657 10.629 40.772 1.00 9.86 ? 90 GLU A C 1 90 UNP P29373 91 E +ATOM 713 O O . GLU A 1 90 ? 13.932 11.715 41.289 1.00 10.30 ? 90 GLU A O 1 90 UNP P29373 91 E +ATOM 714 C CB . GLU A 1 90 ? 12.858 8.846 42.348 1.00 11.92 ? 90 GLU A CB 1 90 UNP P29373 91 E +ATOM 715 C CG . GLU A 1 90 ? 13.536 9.572 43.487 1.00 16.53 ? 90 GLU A CG 1 90 UNP P29373 91 E +ATOM 716 C CD . GLU A 1 90 ? 13.912 8.671 44.644 1.00 19.80 ? 90 GLU A CD 1 90 UNP P29373 91 E +ATOM 717 O OE1 . GLU A 1 90 ? 14.122 7.464 44.426 1.00 21.18 ? 90 GLU A OE1 1 90 UNP P29373 91 E +ATOM 718 O OE2 . GLU A 1 90 ? 14.012 9.187 45.774 1.00 22.91 ? 90 GLU A OE2 1 90 UNP P29373 91 E +ATOM 719 N N . ASN A 1 91 ? 14.376 10.102 39.783 1.00 8.79 ? 91 ASN A N 1 91 UNP P29373 92 N +ATOM 720 C CA . ASN A 1 91 ? 15.578 10.767 39.274 1.00 10.50 ? 91 ASN A CA 1 91 UNP P29373 92 N +ATOM 721 C C . ASN A 1 91 ? 15.455 11.289 37.855 1.00 9.69 ? 91 ASN A C 1 91 UNP P29373 92 N +ATOM 722 O O . ASN A 1 91 ? 16.467 11.627 37.246 1.00 7.10 ? 91 ASN A O 1 91 UNP P29373 92 N +ATOM 723 C CB . ASN A 1 91 ? 16.760 9.798 39.305 1.00 14.33 ? 91 ASN A CB 1 91 UNP P29373 92 N +ATOM 724 C CG . ASN A 1 91 ? 17.064 9.307 40.693 1.00 17.71 ? 91 ASN A CG 1 91 UNP P29373 92 N +ATOM 725 O OD1 . ASN A 1 91 ? 17.445 10.087 41.560 1.00 20.87 ? 91 ASN A OD1 1 91 UNP P29373 92 N +ATOM 726 N ND2 . ASN A 1 91 ? 16.855 8.016 40.928 1.00 19.39 ? 91 ASN A ND2 1 91 UNP P29373 92 N +ATOM 727 N N . LYS A 1 92 ? 14.230 11.387 37.352 1.00 8.60 ? 92 LYS A N 1 92 UNP P29373 93 K +ATOM 728 C CA . LYS A 1 92 ? 14.016 11.835 35.981 1.00 8.88 ? 92 LYS A CA 1 92 UNP P29373 93 K +ATOM 729 C C . LYS A 1 92 ? 12.861 12.812 35.807 1.00 8.61 ? 92 LYS A C 1 92 UNP P29373 93 K +ATOM 730 O O . LYS A 1 92 ? 11.721 12.511 36.168 1.00 8.95 ? 92 LYS A O 1 92 UNP P29373 93 K +ATOM 731 C CB . LYS A 1 92 ? 13.781 10.626 35.078 1.00 9.10 ? 92 LYS A CB 1 92 UNP P29373 93 K +ATOM 732 C CG . LYS A 1 92 ? 13.566 10.996 33.618 1.00 11.95 ? 92 LYS A CG 1 92 UNP P29373 93 K +ATOM 733 C CD . LYS A 1 92 ? 13.467 9.762 32.759 1.00 14.04 ? 92 LYS A CD 1 92 UNP P29373 93 K +ATOM 734 C CE . LYS A 1 92 ? 13.333 10.124 31.299 1.00 16.33 ? 92 LYS A CE 1 92 UNP P29373 93 K +ATOM 735 N NZ . LYS A 1 92 ? 13.129 8.884 30.506 1.00 17.37 ? 92 LYS A NZ 1 92 UNP P29373 93 K +ATOM 736 N N . MET A 1 93 ? 13.172 13.988 35.268 1.00 7.58 ? 93 MET A N 1 93 UNP P29373 94 M +ATOM 737 C CA . MET A 1 93 ? 12.159 14.985 34.995 1.00 8.21 ? 93 MET A CA 1 93 UNP P29373 94 M +ATOM 738 C C . MET A 1 93 ? 11.915 15.038 33.496 1.00 9.18 ? 93 MET A C 1 93 UNP P29373 94 M +ATOM 739 O O . MET A 1 93 ? 12.833 14.838 32.690 1.00 7.74 ? 93 MET A O 1 93 UNP P29373 94 M +ATOM 740 C CB . MET A 1 93 ? 12.565 16.359 35.523 1.00 9.68 ? 93 MET A CB 1 93 UNP P29373 94 M +ATOM 741 C CG . MET A 1 93 ? 13.826 16.925 34.937 1.00 13.16 ? 93 MET A CG 1 93 UNP P29373 94 M +ATOM 742 S SD . MET A 1 93 ? 14.238 18.543 35.628 1.00 17.49 ? 93 MET A SD 1 93 UNP P29373 94 M +ATOM 743 C CE . MET A 1 93 ? 15.009 18.106 37.076 1.00 18.53 ? 93 MET A CE 1 93 UNP P29373 94 M +ATOM 744 N N . VAL A 1 94 ? 10.658 15.239 33.128 1.00 9.48 ? 94 VAL A N 1 94 UNP P29373 95 V +ATOM 745 C CA . VAL A 1 94 ? 10.266 15.334 31.726 1.00 9.55 ? 94 VAL A CA 1 94 UNP P29373 95 V +ATOM 746 C C . VAL A 1 94 ? 9.516 16.639 31.528 1.00 10.10 ? 94 VAL A C 1 94 UNP P29373 95 V +ATOM 747 O O . VAL A 1 94 ? 8.683 17.024 32.364 1.00 9.47 ? 94 VAL A O 1 94 UNP P29373 95 V +ATOM 748 C CB . VAL A 1 94 ? 9.371 14.164 31.315 1.00 11.05 ? 94 VAL A CB 1 94 UNP P29373 95 V +ATOM 749 C CG1 . VAL A 1 94 ? 8.878 14.354 29.878 1.00 12.88 ? 94 VAL A CG1 1 94 UNP P29373 95 V +ATOM 750 C CG2 . VAL A 1 94 ? 10.147 12.866 31.420 1.00 14.00 ? 94 VAL A CG2 1 94 UNP P29373 95 V +ATOM 751 N N . CYS A 1 95 ? 9.802 17.312 30.413 1.00 9.49 ? 95 CYS A N 1 95 UNP P29373 96 C +ATOM 752 C CA . CYS A 1 95 ? 9.169 18.582 30.094 1.00 8.82 ? 95 CYS A CA 1 95 UNP P29373 96 C +ATOM 753 C C . CYS A 1 95 ? 8.431 18.559 28.758 1.00 11.70 ? 95 CYS A C 1 95 UNP P29373 96 C +ATOM 754 O O . CYS A 1 95 ? 9.014 18.215 27.723 1.00 12.29 ? 95 CYS A O 1 95 UNP P29373 96 C +ATOM 755 C CB . CYS A 1 95 ? 10.229 19.679 30.059 1.00 8.79 ? 95 CYS A CB 1 95 UNP P29373 96 C +ATOM 756 S SG . CYS A 1 95 ? 9.620 21.322 29.690 1.00 10.97 ? 95 CYS A SG 1 95 UNP P29373 96 C +ATOM 757 N N . GLU A 1 96 ? 7.149 18.902 28.791 1.00 10.87 ? 96 GLU A N 1 96 UNP P29373 97 E +ATOM 758 C CA . GLU A 1 96 ? 6.342 18.962 27.587 1.00 14.78 ? 96 GLU A CA 1 96 UNP P29373 97 E +ATOM 759 C C . GLU A 1 96 ? 6.267 20.439 27.182 1.00 13.83 ? 96 GLU A C 1 96 UNP P29373 97 E +ATOM 760 O O . GLU A 1 96 ? 6.044 21.311 28.030 1.00 12.79 ? 96 GLU A O 1 96 UNP P29373 97 E +ATOM 761 C CB . GLU A 1 96 ? 4.957 18.397 27.885 1.00 20.21 ? 96 GLU A CB 1 96 UNP P29373 97 E +ATOM 762 C CG . GLU A 1 96 ? 3.981 18.432 26.726 1.00 32.46 ? 96 GLU A CG 1 96 UNP P29373 97 E +ATOM 763 C CD . GLU A 1 96 ? 2.646 17.765 27.065 1.00 38.97 ? 96 GLU A CD 1 96 UNP P29373 97 E +ATOM 764 O OE1 . GLU A 1 96 ? 2.053 18.108 28.128 1.00 42.61 ? 96 GLU A OE1 1 96 UNP P29373 97 E +ATOM 765 O OE2 . GLU A 1 96 ? 2.201 16.892 26.271 1.00 42.17 ? 96 GLU A OE2 1 96 UNP P29373 97 E +ATOM 766 N N . GLN A 1 97 ? 6.513 20.725 25.903 1.00 13.39 ? 97 GLN A N 1 97 UNP P29373 98 Q +ATOM 767 C CA . GLN A 1 97 ? 6.489 22.100 25.402 1.00 13.55 ? 97 GLN A CA 1 97 UNP P29373 98 Q +ATOM 768 C C . GLN A 1 97 ? 5.357 22.334 24.400 1.00 15.88 ? 97 GLN A C 1 97 UNP P29373 98 Q +ATOM 769 O O . GLN A 1 97 ? 5.013 21.455 23.591 1.00 16.25 ? 97 GLN A O 1 97 UNP P29373 98 Q +ATOM 770 C CB . GLN A 1 97 ? 7.823 22.465 24.747 1.00 12.20 ? 97 GLN A CB 1 97 UNP P29373 98 Q +ATOM 771 C CG . GLN A 1 97 ? 9.033 22.324 25.650 1.00 12.55 ? 97 GLN A CG 1 97 UNP P29373 98 Q +ATOM 772 C CD . GLN A 1 97 ? 10.321 22.613 24.927 1.00 14.20 ? 97 GLN A CD 1 97 UNP P29373 98 Q +ATOM 773 O OE1 . GLN A 1 97 ? 10.478 22.288 23.749 1.00 12.94 ? 97 GLN A OE1 1 97 UNP P29373 98 Q +ATOM 774 N NE2 . GLN A 1 97 ? 11.260 23.235 25.627 1.00 14.75 ? 97 GLN A NE2 1 97 UNP P29373 98 Q +ATOM 775 N N . LYS A 1 98 ? 4.801 23.541 24.450 1.00 17.30 ? 98 LYS A N 1 98 UNP P29373 99 K +ATOM 776 C CA . LYS A 1 98 ? 3.696 23.952 23.582 1.00 19.78 ? 98 LYS A CA 1 98 UNP P29373 99 K +ATOM 777 C C . LYS A 1 98 ? 3.990 25.340 23.019 1.00 18.56 ? 98 LYS A C 1 98 UNP P29373 99 K +ATOM 778 O O . LYS A 1 98 ? 4.162 26.293 23.771 1.00 17.70 ? 98 LYS A O 1 98 UNP P29373 99 K +ATOM 779 C CB . LYS A 1 98 ? 2.389 23.953 24.389 1.00 23.30 ? 98 LYS A CB 1 98 UNP P29373 99 K +ATOM 780 C CG . LYS A 1 98 ? 1.294 24.857 23.867 1.00 30.94 ? 98 LYS A CG 1 98 UNP P29373 99 K +ATOM 781 C CD . LYS A 1 98 ? 0.210 25.047 24.934 1.00 37.10 ? 98 LYS A CD 1 98 UNP P29373 99 K +ATOM 782 C CE . LYS A 1 98 ? -0.849 26.072 24.520 1.00 39.73 ? 98 LYS A CE 1 98 UNP P29373 99 K +ATOM 783 N NZ . LYS A 1 98 ? -0.326 27.476 24.541 1.00 42.46 ? 98 LYS A NZ 1 98 UNP P29373 99 K +ATOM 784 N N . LEU A 1 99 ? 4.073 25.445 21.696 1.00 19.35 ? 99 LEU A N 1 99 UNP P29373 100 L +ATOM 785 C CA . LEU A 1 99 ? 4.357 26.721 21.041 1.00 21.32 ? 99 LEU A CA 1 99 UNP P29373 100 L +ATOM 786 C C . LEU A 1 99 ? 3.307 27.770 21.351 1.00 22.86 ? 99 LEU A C 1 99 UNP P29373 100 L +ATOM 787 O O . LEU A 1 99 ? 2.108 27.496 21.261 1.00 23.41 ? 99 LEU A O 1 99 UNP P29373 100 L +ATOM 788 C CB . LEU A 1 99 ? 4.466 26.542 19.526 1.00 22.09 ? 99 LEU A CB 1 99 UNP P29373 100 L +ATOM 789 C CG . LEU A 1 99 ? 5.692 25.792 18.997 1.00 22.72 ? 99 LEU A CG 1 99 UNP P29373 100 L +ATOM 790 C CD1 . LEU A 1 99 ? 5.585 25.639 17.490 1.00 23.04 ? 99 LEU A CD1 1 99 UNP P29373 100 L +ATOM 791 C CD2 . LEU A 1 99 ? 6.951 26.548 19.372 1.00 23.61 ? 99 LEU A CD2 1 99 UNP P29373 100 L +ATOM 792 N N . LEU A 1 100 ? 3.767 28.962 21.722 1.00 24.11 ? 100 LEU A N 1 100 UNP P29373 101 L +ATOM 793 C CA . LEU A 1 100 ? 2.879 30.070 22.051 1.00 27.59 ? 100 LEU A CA 1 100 UNP P29373 101 L +ATOM 794 C C . LEU A 1 100 ? 2.130 30.545 20.815 1.00 30.94 ? 100 LEU A C 1 100 UNP P29373 101 L +ATOM 795 O O . LEU A 1 100 ? 0.951 30.908 20.877 1.00 31.34 ? 100 LEU A O 1 100 UNP P29373 101 L +ATOM 796 C CB . LEU A 1 100 ? 3.680 31.227 22.640 1.00 25.50 ? 100 LEU A CB 1 100 UNP P29373 101 L +ATOM 797 C CG . LEU A 1 100 ? 4.254 30.947 24.020 1.00 24.80 ? 100 LEU A CG 1 100 UNP P29373 101 L +ATOM 798 C CD1 . LEU A 1 100 ? 4.960 32.171 24.542 1.00 26.59 ? 100 LEU A CD1 1 100 UNP P29373 101 L +ATOM 799 C CD2 . LEU A 1 100 ? 3.141 30.554 24.935 1.00 24.80 ? 100 LEU A CD2 1 100 UNP P29373 101 L +ATOM 800 N N . LYS A 1 101 ? 2.835 30.531 19.689 1.00 34.60 ? 101 LYS A N 1 101 UNP P29373 102 K +ATOM 801 C CA . LYS A 1 101 ? 2.282 30.961 18.413 1.00 37.81 ? 101 LYS A CA 1 101 UNP P29373 102 K +ATOM 802 C C . LYS A 1 101 ? 2.847 30.088 17.292 1.00 37.39 ? 101 LYS A C 1 101 UNP P29373 102 K +ATOM 803 O O . LYS A 1 101 ? 4.019 29.687 17.319 1.00 37.22 ? 101 LYS A O 1 101 UNP P29373 102 K +ATOM 804 C CB . LYS A 1 101 ? 2.653 32.429 18.147 1.00 40.57 ? 101 LYS A CB 1 101 UNP P29373 102 K +ATOM 805 C CG . LYS A 1 101 ? 2.182 33.426 19.212 1.00 45.13 ? 101 LYS A CG 1 101 UNP P29373 102 K +ATOM 806 C CD . LYS A 1 101 ? 2.955 34.741 19.125 1.00 48.57 ? 101 LYS A CD 1 101 UNP P29373 102 K +ATOM 807 C CE . LYS A 1 101 ? 4.479 34.527 19.248 1.00 51.31 ? 101 LYS A CE 1 101 UNP P29373 102 K +ATOM 808 N NZ . LYS A 1 101 ? 4.917 33.952 20.559 1.00 51.14 ? 101 LYS A NZ 1 101 UNP P29373 102 K +ATOM 809 N N . GLY A 1 102 ? 1.997 29.786 16.318 1.00 37.21 ? 102 GLY A N 1 102 UNP P29373 103 G +ATOM 810 C CA . GLY A 1 102 ? 2.423 28.993 15.184 1.00 36.82 ? 102 GLY A CA 1 102 UNP P29373 103 G +ATOM 811 C C . GLY A 1 102 ? 2.333 27.494 15.344 1.00 36.36 ? 102 GLY A C 1 102 UNP P29373 103 G +ATOM 812 O O . GLY A 1 102 ? 1.690 26.977 16.265 1.00 35.74 ? 102 GLY A O 1 102 UNP P29373 103 G +ATOM 813 N N . GLU A 1 103 ? 2.954 26.803 14.395 1.00 35.74 ? 103 GLU A N 1 103 UNP P29373 104 E +ATOM 814 C CA . GLU A 1 103 ? 2.988 25.348 14.377 1.00 35.50 ? 103 GLU A CA 1 103 UNP P29373 104 E +ATOM 815 C C . GLU A 1 103 ? 4.418 24.880 14.140 1.00 31.92 ? 103 GLU A C 1 103 UNP P29373 104 E +ATOM 816 O O . GLU A 1 103 ? 5.281 25.654 13.723 1.00 31.61 ? 103 GLU A O 1 103 UNP P29373 104 E +ATOM 817 C CB . GLU A 1 103 ? 2.077 24.784 13.274 1.00 39.37 ? 103 GLU A CB 1 103 UNP P29373 104 E +ATOM 818 C CG . GLU A 1 103 ? 0.652 24.422 13.712 1.00 45.52 ? 103 GLU A CG 1 103 UNP P29373 104 E +ATOM 819 C CD . GLU A 1 103 ? -0.383 25.503 13.395 1.00 50.23 ? 103 GLU A CD 1 103 UNP P29373 104 E +ATOM 820 O OE1 . GLU A 1 103 ? -0.130 26.346 12.499 1.00 53.12 ? 103 GLU A OE1 1 103 UNP P29373 104 E +ATOM 821 O OE2 . GLU A 1 103 ? -1.464 25.500 14.036 1.00 52.16 ? 103 GLU A OE2 1 103 UNP P29373 104 E +ATOM 822 N N . GLY A 1 104 ? 4.653 23.604 14.414 1.00 28.97 ? 104 GLY A N 1 104 UNP P29373 105 G +ATOM 823 C CA . GLY A 1 104 ? 5.967 23.024 14.231 1.00 25.41 ? 104 GLY A CA 1 104 UNP P29373 105 G +ATOM 824 C C . GLY A 1 104 ? 6.012 21.648 14.863 1.00 22.09 ? 104 GLY A C 1 104 UNP P29373 105 G +ATOM 825 O O . GLY A 1 104 ? 4.987 21.160 15.347 1.00 21.89 ? 104 GLY A O 1 104 UNP P29373 105 G +ATOM 826 N N . PRO A 1 105 ? 7.176 20.976 14.832 1.00 19.50 ? 105 PRO A N 1 105 UNP P29373 106 P +ATOM 827 C CA . PRO A 1 105 ? 7.338 19.640 15.418 1.00 17.92 ? 105 PRO A CA 1 105 UNP P29373 106 P +ATOM 828 C C . PRO A 1 105 ? 7.020 19.664 16.914 1.00 15.61 ? 105 PRO A C 1 105 UNP P29373 106 P +ATOM 829 O O . PRO A 1 105 ? 7.170 20.696 17.567 1.00 14.42 ? 105 PRO A O 1 105 UNP P29373 106 P +ATOM 830 C CB . PRO A 1 105 ? 8.828 19.348 15.202 1.00 18.86 ? 105 PRO A CB 1 105 UNP P29373 106 P +ATOM 831 C CG . PRO A 1 105 ? 9.188 20.164 14.005 1.00 18.76 ? 105 PRO A CG 1 105 UNP P29373 106 P +ATOM 832 C CD . PRO A 1 105 ? 8.423 21.440 14.199 1.00 18.40 ? 105 PRO A CD 1 105 UNP P29373 106 P +ATOM 833 N N . LYS A 1 106 ? 6.552 18.541 17.444 1.00 16.02 ? 106 LYS A N 1 106 UNP P29373 107 K +ATOM 834 C CA . LYS A 1 106 ? 6.255 18.453 18.868 1.00 16.93 ? 106 LYS A CA 1 106 UNP P29373 107 K +ATOM 835 C C . LYS A 1 106 ? 7.609 18.305 19.554 1.00 15.49 ? 106 LYS A C 1 106 UNP P29373 107 K +ATOM 836 O O . LYS A 1 106 ? 8.397 17.437 19.183 1.00 14.76 ? 106 LYS A O 1 106 UNP P29373 107 K +ATOM 837 C CB . LYS A 1 106 ? 5.387 17.229 19.174 1.00 20.98 ? 106 LYS A CB 1 106 UNP P29373 107 K +ATOM 838 C CG . LYS A 1 106 ? 5.015 17.097 20.662 1.00 27.98 ? 106 LYS A CG 1 106 UNP P29373 107 K +ATOM 839 C CD . LYS A 1 106 ? 4.463 18.433 21.229 1.00 33.23 ? 106 LYS A CD 1 106 UNP P29373 107 K +ATOM 840 C CE . LYS A 1 106 ? 4.250 18.417 22.764 1.00 35.21 ? 106 LYS A CE 1 106 UNP P29373 107 K +ATOM 841 N NZ . LYS A 1 106 ? 5.519 18.251 23.566 1.00 33.75 ? 106 LYS A NZ 1 106 UNP P29373 107 K +ATOM 842 N N . THR A 1 107 ? 7.907 19.167 20.515 1.00 13.91 ? 107 THR A N 1 107 UNP P29373 108 T +ATOM 843 C CA . THR A 1 107 ? 9.203 19.086 21.190 1.00 12.14 ? 107 THR A CA 1 107 UNP P29373 108 T +ATOM 844 C C . THR A 1 107 ? 9.083 18.819 22.681 1.00 11.66 ? 107 THR A C 1 107 UNP P29373 108 T +ATOM 845 O O . THR A 1 107 ? 8.061 19.120 23.295 1.00 10.59 ? 107 THR A O 1 107 UNP P29373 108 T +ATOM 846 C CB . THR A 1 107 ? 10.012 20.382 21.016 1.00 12.37 ? 107 THR A CB 1 107 UNP P29373 108 T +ATOM 847 O OG1 . THR A 1 107 ? 9.263 21.480 21.547 1.00 12.36 ? 107 THR A OG1 1 107 UNP P29373 108 T +ATOM 848 C CG2 . THR A 1 107 ? 10.327 20.643 19.544 1.00 12.62 ? 107 THR A CG2 1 107 UNP P29373 108 T +ATOM 849 N N . SER A 1 108 ? 10.140 18.249 23.250 1.00 10.16 ? 108 SER A N 1 108 UNP P29373 109 S +ATOM 850 C CA . SER A 1 108 ? 10.192 17.975 24.681 1.00 9.98 ? 108 SER A CA 1 108 UNP P29373 109 S +ATOM 851 C C . SER A 1 108 ? 11.649 17.774 25.081 1.00 9.90 ? 108 SER A C 1 108 UNP P29373 109 S +ATOM 852 O O . SER A 1 108 ? 12.549 17.774 24.227 1.00 8.48 ? 108 SER A O 1 108 UNP P29373 109 S +ATOM 853 C CB . SER A 1 108 ? 9.370 16.729 25.024 1.00 9.84 ? 108 SER A CB 1 108 UNP P29373 109 S +ATOM 854 O OG . SER A 1 108 ? 9.844 15.601 24.313 1.00 13.87 ? 108 SER A OG 1 108 UNP P29373 109 S +ATOM 855 N N . TRP A 1 109 ? 11.890 17.708 26.386 1.00 7.96 ? 109 TRP A N 1 109 UNP P29373 110 W +ATOM 856 C CA . TRP A 1 109 ? 13.233 17.446 26.894 1.00 7.85 ? 109 TRP A CA 1 109 UNP P29373 110 W +ATOM 857 C C . TRP A 1 109 ? 13.109 16.693 28.209 1.00 7.56 ? 109 TRP A C 1 109 UNP P29373 110 W +ATOM 858 O O . TRP A 1 109 ? 12.053 16.728 28.837 1.00 8.14 ? 109 TRP A O 1 109 UNP P29373 110 W +ATOM 859 C CB . TRP A 1 109 ? 14.094 18.722 27.051 1.00 8.25 ? 109 TRP A CB 1 109 UNP P29373 110 W +ATOM 860 C CG . TRP A 1 109 ? 13.627 19.829 28.007 1.00 8.07 ? 109 TRP A CG 1 109 UNP P29373 110 W +ATOM 861 C CD1 . TRP A 1 109 ? 13.120 21.046 27.648 1.00 9.28 ? 109 TRP A CD1 1 109 UNP P29373 110 W +ATOM 862 C CD2 . TRP A 1 109 ? 13.745 19.865 29.450 1.00 9.31 ? 109 TRP A CD2 1 109 UNP P29373 110 W +ATOM 863 N NE1 . TRP A 1 109 ? 12.929 21.836 28.760 1.00 9.69 ? 109 TRP A NE1 1 109 UNP P29373 110 W +ATOM 864 C CE2 . TRP A 1 109 ? 13.306 21.136 29.878 1.00 9.04 ? 109 TRP A CE2 1 109 UNP P29373 110 W +ATOM 865 C CE3 . TRP A 1 109 ? 14.186 18.939 30.416 1.00 9.92 ? 109 TRP A CE3 1 109 UNP P29373 110 W +ATOM 866 C CZ2 . TRP A 1 109 ? 13.286 21.515 31.228 1.00 9.72 ? 109 TRP A CZ2 1 109 UNP P29373 110 W +ATOM 867 C CZ3 . TRP A 1 109 ? 14.163 19.316 31.758 1.00 10.25 ? 109 TRP A CZ3 1 109 UNP P29373 110 W +ATOM 868 C CH2 . TRP A 1 109 ? 13.717 20.593 32.149 1.00 10.11 ? 109 TRP A CH2 1 109 UNP P29373 110 W +ATOM 869 N N . THR A 1 110 ? 14.136 15.924 28.549 1.00 7.39 ? 110 THR A N 1 110 UNP P29373 111 T +ATOM 870 C CA . THR A 1 110 ? 14.168 15.176 29.808 1.00 6.23 ? 110 THR A CA 1 110 UNP P29373 111 T +ATOM 871 C C . THR A 1 110 ? 15.577 15.334 30.395 1.00 7.40 ? 110 THR A C 1 110 UNP P29373 111 T +ATOM 872 O O . THR A 1 110 ? 16.558 15.563 29.652 1.00 6.43 ? 110 THR A O 1 110 UNP P29373 111 T +ATOM 873 C CB . THR A 1 110 ? 13.887 13.633 29.626 1.00 7.17 ? 110 THR A CB 1 110 UNP P29373 111 T +ATOM 874 O OG1 . THR A 1 110 ? 15.000 13.002 28.973 1.00 7.49 ? 110 THR A OG1 1 110 UNP P29373 111 T +ATOM 875 C CG2 . THR A 1 110 ? 12.616 13.377 28.803 1.00 6.64 ? 110 THR A CG2 1 110 UNP P29373 111 T +ATOM 876 N N . ARG A 1 111 ? 15.669 15.293 31.727 1.00 6.72 ? 111 ARG A N 1 111 UNP P29373 112 R +ATOM 877 C CA . ARG A 1 111 ? 16.966 15.356 32.425 1.00 6.27 ? 111 ARG A CA 1 111 UNP P29373 112 R +ATOM 878 C C . ARG A 1 111 ? 16.924 14.287 33.483 1.00 7.89 ? 111 ARG A C 1 111 UNP P29373 112 R +ATOM 879 O O . ARG A 1 111 ? 15.928 14.156 34.193 1.00 8.35 ? 111 ARG A O 1 111 UNP P29373 112 R +ATOM 880 C CB . ARG A 1 111 ? 17.240 16.722 33.068 1.00 6.20 ? 111 ARG A CB 1 111 UNP P29373 112 R +ATOM 881 C CG . ARG A 1 111 ? 17.703 17.765 32.060 1.00 7.38 ? 111 ARG A CG 1 111 UNP P29373 112 R +ATOM 882 C CD . ARG A 1 111 ? 18.100 19.072 32.727 1.00 8.70 ? 111 ARG A CD 1 111 UNP P29373 112 R +ATOM 883 N NE . ARG A 1 111 ? 18.783 19.965 31.784 1.00 9.83 ? 111 ARG A NE 1 111 UNP P29373 112 R +ATOM 884 C CZ . ARG A 1 111 ? 18.158 20.804 30.963 1.00 10.23 ? 111 ARG A CZ 1 111 UNP P29373 112 R +ATOM 885 N NH1 . ARG A 1 111 ? 16.840 20.869 30.966 1.00 10.89 ? 111 ARG A NH1 1 111 UNP P29373 112 R +ATOM 886 N NH2 . ARG A 1 111 ? 18.847 21.590 30.144 1.00 11.56 ? 111 ARG A NH2 1 111 UNP P29373 112 R +ATOM 887 N N . GLU A 1 112 ? 17.957 13.464 33.534 1.00 7.64 ? 112 GLU A N 1 112 UNP P29373 113 E +ATOM 888 C CA . GLU A 1 112 ? 17.977 12.402 34.527 1.00 10.31 ? 112 GLU A CA 1 112 UNP P29373 113 E +ATOM 889 C C . GLU A 1 112 ? 19.356 12.142 35.113 1.00 9.93 ? 112 GLU A C 1 112 UNP P29373 113 E +ATOM 890 O O . GLU A 1 112 ? 20.367 12.273 34.425 1.00 7.92 ? 112 GLU A O 1 112 UNP P29373 113 E +ATOM 891 C CB . GLU A 1 112 ? 17.401 11.118 33.940 1.00 14.05 ? 112 GLU A CB 1 112 UNP P29373 113 E +ATOM 892 C CG . GLU A 1 112 ? 18.213 10.489 32.836 1.00 20.37 ? 112 GLU A CG 1 112 UNP P29373 113 E +ATOM 893 C CD . GLU A 1 112 ? 17.484 9.325 32.177 1.00 25.09 ? 112 GLU A CD 1 112 UNP P29373 113 E +ATOM 894 O OE1 . GLU A 1 112 ? 17.223 8.308 32.883 1.00 22.36 ? 112 GLU A OE1 1 112 UNP P29373 113 E +ATOM 895 O OE2 . GLU A 1 112 ? 17.175 9.443 30.955 1.00 25.10 ? 112 GLU A OE2 1 112 UNP P29373 113 E +ATOM 896 N N . LEU A 1 113 ? 19.387 11.816 36.401 1.00 8.96 ? 113 LEU A N 1 113 UNP P29373 114 L +ATOM 897 C CA . LEU A 1 113 ? 20.634 11.503 37.091 1.00 12.04 ? 113 LEU A CA 1 113 UNP P29373 114 L +ATOM 898 C C . LEU A 1 113 ? 20.789 9.991 37.081 1.00 12.06 ? 113 LEU A C 1 113 UNP P29373 114 L +ATOM 899 O O . LEU A 1 113 ? 19.906 9.270 37.559 1.00 12.08 ? 113 LEU A O 1 113 UNP P29373 114 L +ATOM 900 C CB . LEU A 1 113 ? 20.575 11.983 38.532 1.00 14.38 ? 113 LEU A CB 1 113 UNP P29373 114 L +ATOM 901 C CG . LEU A 1 113 ? 20.768 13.465 38.799 1.00 17.46 ? 113 LEU A CG 1 113 UNP P29373 114 L +ATOM 902 C CD1 . LEU A 1 113 ? 20.709 13.656 40.298 1.00 19.61 ? 113 LEU A CD1 1 113 UNP P29373 114 L +ATOM 903 C CD2 . LEU A 1 113 ? 22.128 13.945 38.266 1.00 18.46 ? 113 LEU A CD2 1 113 UNP P29373 114 L +ATOM 904 N N . THR A 1 114 ? 21.895 9.502 36.535 1.00 11.06 ? 114 THR A N 1 114 UNP P29373 115 T +ATOM 905 C CA . THR A 1 114 ? 22.110 8.062 36.452 1.00 11.74 ? 114 THR A CA 1 114 UNP P29373 115 T +ATOM 906 C C . THR A 1 114 ? 22.816 7.522 37.686 1.00 11.41 ? 114 THR A C 1 114 UNP P29373 115 T +ATOM 907 O O . THR A 1 114 ? 23.327 8.282 38.501 1.00 11.47 ? 114 THR A O 1 114 UNP P29373 115 T +ATOM 908 C CB . THR A 1 114 ? 22.894 7.700 35.188 1.00 12.89 ? 114 THR A CB 1 114 UNP P29373 115 T +ATOM 909 O OG1 . THR A 1 114 ? 24.109 8.451 35.164 1.00 15.50 ? 114 THR A OG1 1 114 UNP P29373 115 T +ATOM 910 C CG2 . THR A 1 114 ? 22.075 8.037 33.951 1.00 14.75 ? 114 THR A CG2 1 114 UNP P29373 115 T +ATOM 911 N N . ASN A 1 115 ? 22.834 6.202 37.808 1.00 13.23 ? 115 ASN A N 1 115 UNP P29373 116 N +ATOM 912 C CA . ASN A 1 115 ? 23.441 5.538 38.951 1.00 16.19 ? 115 ASN A CA 1 115 UNP P29373 116 N +ATOM 913 C C . ASN A 1 115 ? 24.930 5.761 39.139 1.00 14.24 ? 115 ASN A C 1 115 UNP P29373 116 N +ATOM 914 O O . ASN A 1 115 ? 25.432 5.626 40.256 1.00 14.74 ? 115 ASN A O 1 115 UNP P29373 116 N +ATOM 915 C CB . ASN A 1 115 ? 23.123 4.047 38.918 1.00 21.89 ? 115 ASN A CB 1 115 UNP P29373 116 N +ATOM 916 C CG . ASN A 1 115 ? 21.703 3.754 39.357 1.00 29.77 ? 115 ASN A CG 1 115 UNP P29373 116 N +ATOM 917 O OD1 . ASN A 1 115 ? 20.955 3.046 38.669 1.00 34.83 ? 115 ASN A OD1 1 115 UNP P29373 116 N +ATOM 918 N ND2 . ASN A 1 115 ? 21.313 4.310 40.516 1.00 32.90 ? 115 ASN A ND2 1 115 UNP P29373 116 N +ATOM 919 N N . ASP A 1 116 ? 25.626 6.095 38.055 1.00 12.05 ? 116 ASP A N 1 116 UNP P29373 117 D +ATOM 920 C CA . ASP A 1 116 ? 27.061 6.364 38.094 1.00 11.99 ? 116 ASP A CA 1 116 UNP P29373 117 D +ATOM 921 C C . ASP A 1 116 ? 27.424 7.821 38.397 1.00 11.45 ? 116 ASP A C 1 116 UNP P29373 117 D +ATOM 922 O O . ASP A 1 116 ? 28.592 8.184 38.393 1.00 12.23 ? 116 ASP A O 1 116 UNP P29373 117 D +ATOM 923 C CB . ASP A 1 116 ? 27.764 5.875 36.806 1.00 13.89 ? 116 ASP A CB 1 116 UNP P29373 117 D +ATOM 924 C CG . ASP A 1 116 ? 27.177 6.474 35.512 1.00 16.58 ? 116 ASP A CG 1 116 UNP P29373 117 D +ATOM 925 O OD1 . ASP A 1 116 ? 26.263 7.303 35.569 1.00 19.66 ? 116 ASP A OD1 1 116 UNP P29373 117 D +ATOM 926 O OD2 . ASP A 1 116 ? 27.651 6.113 34.422 1.00 20.14 ? 116 ASP A OD2 1 116 UNP P29373 117 D +ATOM 927 N N . GLY A 1 117 ? 26.420 8.647 38.675 1.00 10.58 ? 117 GLY A N 1 117 UNP P29373 118 G +ATOM 928 C CA . GLY A 1 117 ? 26.669 10.042 38.997 1.00 9.83 ? 117 GLY A CA 1 117 UNP P29373 118 G +ATOM 929 C C . GLY A 1 117 ? 26.652 11.019 37.831 1.00 9.97 ? 117 GLY A C 1 117 UNP P29373 118 G +ATOM 930 O O . GLY A 1 117 ? 26.945 12.192 38.019 1.00 10.45 ? 117 GLY A O 1 117 UNP P29373 118 G +ATOM 931 N N . GLU A 1 118 ? 26.289 10.550 36.638 1.00 9.43 ? 118 GLU A N 1 118 UNP P29373 119 E +ATOM 932 C CA . GLU A 1 118 ? 26.242 11.413 35.458 1.00 7.79 ? 118 GLU A CA 1 118 UNP P29373 119 E +ATOM 933 C C . GLU A 1 118 ? 24.834 11.955 35.213 1.00 7.60 ? 118 GLU A C 1 118 UNP P29373 119 E +ATOM 934 O O . GLU A 1 118 ? 23.872 11.565 35.885 1.00 8.05 ? 118 GLU A O 1 118 UNP P29373 119 E +ATOM 935 C CB . GLU A 1 118 ? 26.776 10.653 34.241 1.00 8.86 ? 118 GLU A CB 1 118 UNP P29373 119 E +ATOM 936 C CG . GLU A 1 118 ? 28.227 10.234 34.427 1.00 9.64 ? 118 GLU A CG 1 118 UNP P29373 119 E +ATOM 937 C CD . GLU A 1 118 ? 28.770 9.370 33.310 1.00 13.39 ? 118 GLU A CD 1 118 UNP P29373 119 E +ATOM 938 O OE1 . GLU A 1 118 ? 28.036 9.043 32.355 1.00 11.90 ? 118 GLU A OE1 1 118 UNP P29373 119 E +ATOM 939 O OE2 . GLU A 1 118 ? 29.956 8.998 33.405 1.00 16.59 ? 118 GLU A OE2 1 118 UNP P29373 119 E +ATOM 940 N N . LEU A 1 119 ? 24.732 12.884 34.269 1.00 7.57 ? 119 LEU A N 1 119 UNP P29373 120 L +ATOM 941 C CA . LEU A 1 119 ? 23.467 13.513 33.917 1.00 6.94 ? 119 LEU A CA 1 119 UNP P29373 120 L +ATOM 942 C C . LEU A 1 119 ? 23.189 13.277 32.431 1.00 8.29 ? 119 LEU A C 1 119 UNP P29373 120 L +ATOM 943 O O . LEU A 1 119 ? 24.070 13.506 31.593 1.00 8.23 ? 119 LEU A O 1 119 UNP P29373 120 L +ATOM 944 C CB . LEU A 1 119 ? 23.556 15.023 34.184 1.00 7.83 ? 119 LEU A CB 1 119 UNP P29373 120 L +ATOM 945 C CG . LEU A 1 119 ? 22.417 15.972 33.810 1.00 9.54 ? 119 LEU A CG 1 119 UNP P29373 120 L +ATOM 946 C CD1 . LEU A 1 119 ? 21.213 15.661 34.618 1.00 11.05 ? 119 LEU A CD1 1 119 UNP P29373 120 L +ATOM 947 C CD2 . LEU A 1 119 ? 22.822 17.421 34.066 1.00 12.54 ? 119 LEU A CD2 1 119 UNP P29373 120 L +ATOM 948 N N . ILE A 1 120 ? 22.010 12.743 32.119 1.00 6.17 ? 120 ILE A N 1 120 UNP P29373 121 I +ATOM 949 C CA . ILE A 1 120 ? 21.638 12.529 30.730 1.00 6.22 ? 120 ILE A CA 1 120 UNP P29373 121 I +ATOM 950 C C . ILE A 1 120 ? 20.527 13.511 30.354 1.00 7.47 ? 120 ILE A C 1 120 UNP P29373 121 I +ATOM 951 O O . ILE A 1 120 ? 19.493 13.580 31.036 1.00 6.54 ? 120 ILE A O 1 120 UNP P29373 121 I +ATOM 952 C CB . ILE A 1 120 ? 21.103 11.118 30.485 1.00 7.19 ? 120 ILE A CB 1 120 UNP P29373 121 I +ATOM 953 C CG1 . ILE A 1 120 ? 22.171 10.070 30.801 1.00 8.26 ? 120 ILE A CG1 1 120 UNP P29373 121 I +ATOM 954 C CG2 . ILE A 1 120 ? 20.556 11.003 29.047 1.00 6.54 ? 120 ILE A CG2 1 120 UNP P29373 121 I +ATOM 955 C CD1 . ILE A 1 120 ? 21.668 8.658 30.600 1.00 9.35 ? 120 ILE A CD1 1 120 UNP P29373 121 I +ATOM 956 N N . LEU A 1 121 ? 20.771 14.301 29.306 1.00 6.41 ? 121 LEU A N 1 121 UNP P29373 122 L +ATOM 957 C CA . LEU A 1 121 ? 19.783 15.236 28.779 1.00 6.25 ? 121 LEU A CA 1 121 UNP P29373 122 L +ATOM 958 C C . LEU A 1 121 ? 19.299 14.693 27.426 1.00 7.41 ? 121 LEU A C 1 121 UNP P29373 122 L +ATOM 959 O O . LEU A 1 121 ? 20.115 14.242 26.619 1.00 6.01 ? 121 LEU A O 1 121 UNP P29373 122 L +ATOM 960 C CB . LEU A 1 121 ? 20.400 16.624 28.526 1.00 7.37 ? 121 LEU A CB 1 121 UNP P29373 122 L +ATOM 961 C CG . LEU A 1 121 ? 19.607 17.580 27.597 1.00 7.96 ? 121 LEU A CG 1 121 UNP P29373 122 L +ATOM 962 C CD1 . LEU A 1 121 ? 18.340 18.117 28.290 1.00 7.91 ? 121 LEU A CD1 1 121 UNP P29373 122 L +ATOM 963 C CD2 . LEU A 1 121 ? 20.501 18.739 27.151 1.00 7.96 ? 121 LEU A CD2 1 121 UNP P29373 122 L +ATOM 964 N N . THR A 1 122 ? 17.988 14.607 27.222 1.00 6.71 ? 122 THR A N 1 122 UNP P29373 123 T +ATOM 965 C CA . THR A 1 122 ? 17.514 14.205 25.898 1.00 7.80 ? 122 THR A CA 1 122 UNP P29373 123 T +ATOM 966 C C . THR A 1 122 ? 16.633 15.334 25.402 1.00 8.58 ? 122 THR A C 1 122 UNP P29373 123 T +ATOM 967 O O . THR A 1 122 ? 15.988 16.034 26.194 1.00 7.21 ? 122 THR A O 1 122 UNP P29373 123 T +ATOM 968 C CB . THR A 1 122 ? 16.754 12.843 25.832 1.00 7.51 ? 122 THR A CB 1 122 UNP P29373 123 T +ATOM 969 O OG1 . THR A 1 122 ? 15.422 12.992 26.313 1.00 9.27 ? 122 THR A OG1 1 122 UNP P29373 123 T +ATOM 970 C CG2 . THR A 1 122 ? 17.484 11.759 26.622 1.00 7.86 ? 122 THR A CG2 1 122 UNP P29373 123 T +ATOM 971 N N . MET A 1 123 ? 16.732 15.613 24.110 1.00 7.87 ? 123 MET A N 1 123 UNP P29373 124 M +ATOM 972 C CA . MET A 1 123 ? 15.904 16.643 23.494 1.00 9.22 ? 123 MET A CA 1 123 UNP P29373 124 M +ATOM 973 C C . MET A 1 123 ? 15.194 15.950 22.337 1.00 8.66 ? 123 MET A C 1 123 UNP P29373 124 M +ATOM 974 O O . MET A 1 123 ? 15.828 15.189 21.601 1.00 8.09 ? 123 MET A O 1 123 UNP P29373 124 M +ATOM 975 C CB . MET A 1 123 ? 16.760 17.818 23.019 1.00 9.37 ? 123 MET A CB 1 123 UNP P29373 124 M +ATOM 976 C CG . MET A 1 123 ? 17.359 18.612 24.171 1.00 11.81 ? 123 MET A CG 1 123 UNP P29373 124 M +ATOM 977 S SD . MET A 1 123 ? 18.325 20.048 23.658 1.00 16.59 ? 123 MET A SD 1 123 UNP P29373 124 M +ATOM 978 C CE . MET A 1 123 ? 19.871 19.278 23.173 1.00 14.10 ? 123 MET A CE 1 123 UNP P29373 124 M +ATOM 979 N N . THR A 1 124 ? 13.895 16.195 22.186 1.00 7.20 ? 124 THR A N 1 124 UNP P29373 125 T +ATOM 980 C CA . THR A 1 124 ? 13.133 15.534 21.134 1.00 9.54 ? 124 THR A CA 1 124 UNP P29373 125 T +ATOM 981 C C . THR A 1 124 ? 12.407 16.513 20.222 1.00 10.12 ? 124 THR A C 1 124 UNP P29373 125 T +ATOM 982 O O . THR A 1 124 ? 11.941 17.563 20.665 1.00 9.54 ? 124 THR A O 1 124 UNP P29373 125 T +ATOM 983 C CB . THR A 1 124 ? 12.073 14.552 21.756 1.00 10.74 ? 124 THR A CB 1 124 UNP P29373 125 T +ATOM 984 O OG1 . THR A 1 124 ? 12.740 13.544 22.535 1.00 11.99 ? 124 THR A OG1 1 124 UNP P29373 125 T +ATOM 985 C CG2 . THR A 1 124 ? 11.247 13.865 20.679 1.00 11.66 ? 124 THR A CG2 1 124 UNP P29373 125 T +ATOM 986 N N . ALA A 1 125 ? 12.346 16.167 18.935 1.00 11.06 ? 125 ALA A N 1 125 UNP P29373 126 A +ATOM 987 C CA . ALA A 1 125 ? 11.634 16.962 17.923 1.00 11.63 ? 125 ALA A CA 1 125 UNP P29373 126 A +ATOM 988 C C . ALA A 1 125 ? 10.981 15.878 17.078 1.00 13.46 ? 125 ALA A C 1 125 UNP P29373 126 A +ATOM 989 O O . ALA A 1 125 ? 11.669 15.144 16.352 1.00 13.11 ? 125 ALA A O 1 125 UNP P29373 126 A +ATOM 990 C CB . ALA A 1 125 ? 12.603 17.786 17.091 1.00 13.16 ? 125 ALA A CB 1 125 UNP P29373 126 A +ATOM 991 N N . ASP A 1 126 ? 9.664 15.754 17.216 1.00 14.63 ? 126 ASP A N 1 126 UNP P29373 127 D +ATOM 992 C CA . ASP A 1 126 ? 8.901 14.721 16.536 1.00 17.86 ? 126 ASP A CA 1 126 UNP P29373 127 D +ATOM 993 C C . ASP A 1 126 ? 9.512 13.364 16.905 1.00 18.66 ? 126 ASP A C 1 126 UNP P29373 127 D +ATOM 994 O O . ASP A 1 126 ? 9.519 13.006 18.080 1.00 19.38 ? 126 ASP A O 1 126 UNP P29373 127 D +ATOM 995 C CB . ASP A 1 126 ? 8.835 14.982 15.023 1.00 18.40 ? 126 ASP A CB 1 126 UNP P29373 127 D +ATOM 996 C CG . ASP A 1 126 ? 7.786 16.032 14.660 1.00 22.34 ? 126 ASP A CG 1 126 UNP P29373 127 D +ATOM 997 O OD1 . ASP A 1 126 ? 6.800 16.198 15.422 1.00 23.23 ? 126 ASP A OD1 1 126 UNP P29373 127 D +ATOM 998 O OD2 . ASP A 1 126 ? 7.940 16.702 13.621 1.00 24.32 ? 126 ASP A OD2 1 126 UNP P29373 127 D +ATOM 999 N N . ASP A 1 127 ? 10.064 12.629 15.945 1.00 20.19 ? 127 ASP A N 1 127 UNP P29373 128 D +ATOM 1000 C CA . ASP A 1 127 ? 10.656 11.333 16.271 1.00 21.56 ? 127 ASP A CA 1 127 UNP P29373 128 D +ATOM 1001 C C . ASP A 1 127 ? 12.175 11.279 16.416 1.00 18.85 ? 127 ASP A C 1 127 UNP P29373 128 D +ATOM 1002 O O . ASP A 1 127 ? 12.732 10.219 16.657 1.00 20.67 ? 127 ASP A O 1 127 UNP P29373 128 D +ATOM 1003 C CB . ASP A 1 127 ? 10.178 10.263 15.303 1.00 26.47 ? 127 ASP A CB 1 127 UNP P29373 128 D +ATOM 1004 C CG . ASP A 1 127 ? 9.043 9.450 15.880 1.00 33.21 ? 127 ASP A CG 1 127 UNP P29373 128 D +ATOM 1005 O OD1 . ASP A 1 127 ? 7.892 9.959 15.934 1.00 36.08 ? 127 ASP A OD1 1 127 UNP P29373 128 D +ATOM 1006 O OD2 . ASP A 1 127 ? 9.318 8.308 16.318 1.00 38.35 ? 127 ASP A OD2 1 127 UNP P29373 128 D +ATOM 1007 N N . VAL A 1 128 ? 12.836 12.418 16.281 1.00 15.22 ? 128 VAL A N 1 128 UNP P29373 129 V +ATOM 1008 C CA . VAL A 1 128 ? 14.286 12.486 16.407 1.00 12.83 ? 128 VAL A CA 1 128 UNP P29373 129 V +ATOM 1009 C C . VAL A 1 128 ? 14.681 12.843 17.835 1.00 11.58 ? 128 VAL A C 1 128 UNP P29373 129 V +ATOM 1010 O O . VAL A 1 128 ? 14.176 13.811 18.408 1.00 9.74 ? 128 VAL A O 1 128 UNP P29373 129 V +ATOM 1011 C CB . VAL A 1 128 ? 14.864 13.503 15.423 1.00 12.79 ? 128 VAL A CB 1 128 UNP P29373 129 V +ATOM 1012 C CG1 . VAL A 1 128 ? 16.338 13.757 15.706 1.00 12.93 ? 128 VAL A CG1 1 128 UNP P29373 129 V +ATOM 1013 C CG2 . VAL A 1 128 ? 14.677 12.968 14.005 1.00 14.30 ? 128 VAL A CG2 1 128 UNP P29373 129 V +ATOM 1014 N N . VAL A 1 129 ? 15.586 12.051 18.397 1.00 9.29 ? 129 VAL A N 1 129 UNP P29373 130 V +ATOM 1015 C CA . VAL A 1 129 ? 16.054 12.257 19.761 1.00 7.95 ? 129 VAL A CA 1 129 UNP P29373 130 V +ATOM 1016 C C . VAL A 1 129 ? 17.558 12.546 19.842 1.00 7.49 ? 129 VAL A C 1 129 UNP P29373 130 V +ATOM 1017 O O . VAL A 1 129 ? 18.374 11.816 19.276 1.00 8.73 ? 129 VAL A O 1 129 UNP P29373 130 V +ATOM 1018 C CB . VAL A 1 129 ? 15.764 11.007 20.617 1.00 9.43 ? 129 VAL A CB 1 129 UNP P29373 130 V +ATOM 1019 C CG1 . VAL A 1 129 ? 16.153 11.253 22.076 1.00 9.09 ? 129 VAL A CG1 1 129 UNP P29373 130 V +ATOM 1020 C CG2 . VAL A 1 129 ? 14.293 10.610 20.495 1.00 9.45 ? 129 VAL A CG2 1 129 UNP P29373 130 V +ATOM 1021 N N . CYS A 1 130 ? 17.912 13.630 20.534 1.00 7.54 ? 130 CYS A N 1 130 UNP P29373 131 C +ATOM 1022 C CA . CYS A 1 130 ? 19.305 14.010 20.756 1.00 6.47 ? 130 CYS A CA 1 130 UNP P29373 131 C +ATOM 1023 C C . CYS A 1 130 ? 19.670 13.627 22.200 1.00 6.61 ? 130 CYS A C 1 130 UNP P29373 131 C +ATOM 1024 O O . CYS A 1 130 ? 18.955 13.992 23.135 1.00 7.53 ? 130 CYS A O 1 130 UNP P29373 131 C +ATOM 1025 C CB . CYS A 1 130 ? 19.485 15.517 20.544 1.00 6.05 ? 130 CYS A CB 1 130 UNP P29373 131 C +ATOM 1026 S SG . CYS A 1 130 ? 21.063 16.183 21.077 1.00 8.82 ? 130 CYS A SG 1 130 UNP P29373 131 C +ATOM 1027 N N . THR A 1 131 ? 20.786 12.925 22.372 1.00 6.58 ? 131 THR A N 1 131 UNP P29373 132 T +ATOM 1028 C CA . THR A 1 131 ? 21.241 12.462 23.693 1.00 5.93 ? 131 THR A CA 1 131 UNP P29373 132 T +ATOM 1029 C C . THR A 1 131 ? 22.569 13.102 24.054 1.00 6.18 ? 131 THR A C 1 131 UNP P29373 132 T +ATOM 1030 O O . THR A 1 131 ? 23.528 13.003 23.294 1.00 5.77 ? 131 THR A O 1 131 UNP P29373 132 T +ATOM 1031 C CB . THR A 1 131 ? 21.419 10.914 23.699 1.00 6.63 ? 131 THR A CB 1 131 UNP P29373 132 T +ATOM 1032 O OG1 . THR A 1 131 ? 20.199 10.299 23.289 1.00 7.60 ? 131 THR A OG1 1 131 UNP P29373 132 T +ATOM 1033 C CG2 . THR A 1 131 ? 21.763 10.399 25.091 1.00 7.76 ? 131 THR A CG2 1 131 UNP P29373 132 T +ATOM 1034 N N . ARG A 1 132 ? 22.624 13.780 25.202 1.00 6.29 ? 132 ARG A N 1 132 UNP P29373 133 R +ATOM 1035 C CA . ARG A 1 132 ? 23.853 14.429 25.660 1.00 7.67 ? 132 ARG A CA 1 132 UNP P29373 133 R +ATOM 1036 C C . ARG A 1 132 ? 24.108 13.960 27.093 1.00 7.19 ? 132 ARG A C 1 132 UNP P29373 133 R +ATOM 1037 O O . ARG A 1 132 ? 23.184 13.895 27.902 1.00 8.65 ? 132 ARG A O 1 132 UNP P29373 133 R +ATOM 1038 C CB . ARG A 1 132 ? 23.719 15.957 25.621 1.00 9.67 ? 132 ARG A CB 1 132 UNP P29373 133 R +ATOM 1039 C CG . ARG A 1 132 ? 22.945 16.470 24.429 1.00 15.02 ? 132 ARG A CG 1 132 UNP P29373 133 R +ATOM 1040 C CD . ARG A 1 132 ? 23.781 17.260 23.476 1.00 16.80 ? 132 ARG A CD 1 132 UNP P29373 133 R +ATOM 1041 N NE . ARG A 1 132 ? 24.140 18.580 23.984 1.00 12.48 ? 132 ARG A NE 1 132 UNP P29373 133 R +ATOM 1042 C CZ . ARG A 1 132 ? 25.030 19.377 23.395 1.00 12.93 ? 132 ARG A CZ 1 132 UNP P29373 133 R +ATOM 1043 N NH1 . ARG A 1 132 ? 25.641 19.005 22.279 1.00 13.84 ? 132 ARG A NH1 1 132 UNP P29373 133 R +ATOM 1044 N NH2 . ARG A 1 132 ? 25.398 20.506 23.973 1.00 11.57 ? 132 ARG A NH2 1 132 UNP P29373 133 R +ATOM 1045 N N . VAL A 1 133 ? 25.359 13.633 27.397 1.00 5.99 ? 133 VAL A N 1 133 UNP P29373 134 V +ATOM 1046 C CA . VAL A 1 133 ? 25.739 13.124 28.719 1.00 5.92 ? 133 VAL A CA 1 133 UNP P29373 134 V +ATOM 1047 C C . VAL A 1 133 ? 26.773 14.055 29.345 1.00 5.85 ? 133 VAL A C 1 133 UNP P29373 134 V +ATOM 1048 O O . VAL A 1 133 ? 27.713 14.492 28.681 1.00 5.50 ? 133 VAL A O 1 133 UNP P29373 134 V +ATOM 1049 C CB . VAL A 1 133 ? 26.333 11.698 28.608 1.00 6.37 ? 133 VAL A CB 1 133 UNP P29373 134 V +ATOM 1050 C CG1 . VAL A 1 133 ? 26.609 11.120 29.988 1.00 7.95 ? 133 VAL A CG1 1 133 UNP P29373 134 V +ATOM 1051 C CG2 . VAL A 1 133 ? 25.385 10.782 27.832 1.00 6.46 ? 133 VAL A CG2 1 133 UNP P29373 134 V +ATOM 1052 N N . TYR A 1 134 ? 26.619 14.337 30.635 1.00 5.35 ? 134 TYR A N 1 134 UNP P29373 135 Y +ATOM 1053 C CA . TYR A 1 134 ? 27.538 15.228 31.322 1.00 4.57 ? 134 TYR A CA 1 134 UNP P29373 135 Y +ATOM 1054 C C . TYR A 1 134 ? 28.014 14.611 32.617 1.00 5.30 ? 134 TYR A C 1 134 UNP P29373 135 Y +ATOM 1055 O O . TYR A 1 134 ? 27.371 13.712 33.165 1.00 3.92 ? 134 TYR A O 1 134 UNP P29373 135 Y +ATOM 1056 C CB . TYR A 1 134 ? 26.846 16.550 31.686 1.00 6.84 ? 134 TYR A CB 1 134 UNP P29373 135 Y +ATOM 1057 C CG . TYR A 1 134 ? 26.118 17.251 30.574 1.00 8.89 ? 134 TYR A CG 1 134 UNP P29373 135 Y +ATOM 1058 C CD1 . TYR A 1 134 ? 24.901 16.762 30.122 1.00 10.29 ? 134 TYR A CD1 1 134 UNP P29373 135 Y +ATOM 1059 C CD2 . TYR A 1 134 ? 26.628 18.406 29.992 1.00 10.49 ? 134 TYR A CD2 1 134 UNP P29373 135 Y +ATOM 1060 C CE1 . TYR A 1 134 ? 24.212 17.386 29.133 1.00 13.03 ? 134 TYR A CE1 1 134 UNP P29373 135 Y +ATOM 1061 C CE2 . TYR A 1 134 ? 25.930 19.051 28.982 1.00 12.15 ? 134 TYR A CE2 1 134 UNP P29373 135 Y +ATOM 1062 C CZ . TYR A 1 134 ? 24.723 18.517 28.567 1.00 12.80 ? 134 TYR A CZ 1 134 UNP P29373 135 Y +ATOM 1063 O OH . TYR A 1 134 ? 23.991 19.082 27.567 1.00 18.07 ? 134 TYR A OH 1 134 UNP P29373 135 Y +ATOM 1064 N N . VAL A 1 135 ? 29.113 15.158 33.119 1.00 6.63 ? 135 VAL A N 1 135 UNP P29373 136 V +ATOM 1065 C CA . VAL A 1 135 ? 29.697 14.762 34.394 1.00 8.42 ? 135 VAL A CA 1 135 UNP P29373 136 V +ATOM 1066 C C . VAL A 1 135 ? 30.100 16.086 35.064 1.00 9.05 ? 135 VAL A C 1 135 UNP P29373 136 V +ATOM 1067 O O . VAL A 1 135 ? 30.340 17.086 34.385 1.00 9.02 ? 135 VAL A O 1 135 UNP P29373 136 V +ATOM 1068 C CB . VAL A 1 135 ? 30.925 13.815 34.204 1.00 8.05 ? 135 VAL A CB 1 135 UNP P29373 136 V +ATOM 1069 C CG1 . VAL A 1 135 ? 32.109 14.556 33.596 1.00 9.27 ? 135 VAL A CG1 1 135 UNP P29373 136 V +ATOM 1070 C CG2 . VAL A 1 135 ? 31.304 13.151 35.533 1.00 10.37 ? 135 VAL A CG2 1 135 UNP P29373 136 V +ATOM 1071 N N . ARG A 1 136 ? 30.117 16.133 36.390 1.00 9.57 ? 136 ARG A N 1 136 UNP P29373 137 R +ATOM 1072 C CA . ARG A 1 136 ? 30.498 17.375 37.040 1.00 10.86 ? 136 ARG A CA 1 136 UNP P29373 137 R +ATOM 1073 C C . ARG A 1 136 ? 31.964 17.676 36.776 1.00 11.68 ? 136 ARG A C 1 136 UNP P29373 137 R +ATOM 1074 O O . ARG A 1 136 ? 32.782 16.765 36.686 1.00 11.35 ? 136 ARG A O 1 136 UNP P29373 137 R +ATOM 1075 C CB . ARG A 1 136 ? 30.221 17.319 38.536 1.00 11.99 ? 136 ARG A CB 1 136 UNP P29373 137 R +ATOM 1076 C CG . ARG A 1 136 ? 28.746 17.454 38.885 1.00 13.89 ? 136 ARG A CG 1 136 UNP P29373 137 R +ATOM 1077 C CD . ARG A 1 136 ? 28.576 17.533 40.382 1.00 15.85 ? 136 ARG A CD 1 136 UNP P29373 137 R +ATOM 1078 N NE . ARG A 1 136 ? 27.185 17.407 40.754 1.00 17.08 ? 136 ARG A NE 1 136 UNP P29373 137 R +ATOM 1079 C CZ . ARG A 1 136 ? 26.561 16.245 40.926 1.00 21.69 ? 136 ARG A CZ 1 136 UNP P29373 137 R +ATOM 1080 N NH1 . ARG A 1 136 ? 27.217 15.102 40.754 1.00 23.26 ? 136 ARG A NH1 1 136 UNP P29373 137 R +ATOM 1081 N NH2 . ARG A 1 136 ? 25.278 16.227 41.283 1.00 22.60 ? 136 ARG A NH2 1 136 UNP P29373 137 R +ATOM 1082 N N . GLU A 1 137 ? 32.282 18.963 36.663 1.00 15.12 ? 137 GLU A N 1 137 UNP P29373 138 E +ATOM 1083 C CA . GLU A 1 137 ? 33.641 19.430 36.400 1.00 18.00 ? 137 GLU A CA 1 137 UNP P29373 138 E +ATOM 1084 C C . GLU A 1 137 ? 34.615 19.038 37.493 1.00 18.96 ? 137 GLU A C 1 137 UNP P29373 138 E +ATOM 1085 O O . GLU A 1 137 ? 34.221 19.175 38.659 1.00 17.37 ? 137 GLU A O 1 137 UNP P29373 138 E +ATOM 1086 C CB . GLU A 1 137 ? 33.661 20.943 36.293 1.00 19.89 ? 137 GLU A CB 1 137 UNP P29373 138 E +ATOM 1087 C CG . GLU A 1 137 ? 33.092 21.492 35.035 1.00 28.03 ? 137 GLU A CG 1 137 UNP P29373 138 E +ATOM 1088 C CD . GLU A 1 137 ? 33.469 22.953 34.865 1.00 33.22 ? 137 GLU A CD 1 137 UNP P29373 138 E +ATOM 1089 O OE1 . GLU A 1 137 ? 34.630 23.217 34.473 1.00 37.31 ? 137 GLU A OE1 1 137 UNP P29373 138 E +ATOM 1090 O OE2 . GLU A 1 137 ? 32.636 23.836 35.164 1.00 36.38 ? 137 GLU A OE2 1 137 UNP P29373 138 E +ATOM 1091 O OXT . GLU A 1 137 ? 35.776 18.680 37.173 1.00 22.23 ? 137 GLU A OXT 1 137 UNP P29373 138 E +HETATM 1092 C C1 . REA B 2 . ? 21.972 29.831 16.739 1.00 15.25 ? 200 REA A C1 1 200 ? ? ? ? +HETATM 1093 C C2 . REA B 2 . ? 20.921 30.524 15.841 1.00 15.61 ? 200 REA A C2 1 200 ? ? ? ? +HETATM 1094 C C3 . REA B 2 . ? 20.245 29.635 14.848 1.00 16.19 ? 200 REA A C3 1 200 ? ? ? ? +HETATM 1095 C C4 . REA B 2 . ? 19.555 28.479 15.488 1.00 14.59 ? 200 REA A C4 1 200 ? ? ? ? +HETATM 1096 C C5 . REA B 2 . ? 20.389 27.812 16.587 1.00 14.10 ? 200 REA A C5 1 200 ? ? ? ? +HETATM 1097 C C6 . REA B 2 . ? 21.425 28.446 17.218 1.00 14.42 ? 200 REA A C6 1 200 ? ? ? ? +HETATM 1098 C C7 . REA B 2 . ? 22.242 27.851 18.297 1.00 13.89 ? 200 REA A C7 1 200 ? ? ? ? +HETATM 1099 C C8 . REA B 2 . ? 21.868 26.977 19.240 1.00 11.86 ? 200 REA A C8 1 200 ? ? ? ? +HETATM 1100 C C9 . REA B 2 . ? 22.705 26.434 20.286 1.00 10.87 ? 200 REA A C9 1 200 ? ? ? ? +HETATM 1101 C C10 . REA B 2 . ? 22.159 25.536 21.131 1.00 9.19 ? 200 REA A C10 1 200 ? ? ? ? +HETATM 1102 C C11 . REA B 2 . ? 22.875 24.924 22.234 1.00 10.35 ? 200 REA A C11 1 200 ? ? ? ? +HETATM 1103 C C12 . REA B 2 . ? 22.237 24.026 22.990 1.00 10.53 ? 200 REA A C12 1 200 ? ? ? ? +HETATM 1104 C C13 . REA B 2 . ? 22.856 23.377 24.125 1.00 10.91 ? 200 REA A C13 1 200 ? ? ? ? +HETATM 1105 C C14 . REA B 2 . ? 22.135 22.473 24.834 1.00 11.88 ? 200 REA A C14 1 200 ? ? ? ? +HETATM 1106 C C15 . REA B 2 . ? 22.563 21.710 26.016 1.00 14.86 ? 200 REA A C15 1 200 ? ? ? ? +HETATM 1107 C C16 . REA B 2 . ? 22.238 30.737 17.948 1.00 15.47 ? 200 REA A C16 1 200 ? ? ? ? +HETATM 1108 C C17 . REA B 2 . ? 23.292 29.620 15.948 1.00 13.42 ? 200 REA A C17 1 200 ? ? ? ? +HETATM 1109 C C18 . REA B 2 . ? 19.791 26.449 16.947 1.00 12.61 ? 200 REA A C18 1 200 ? ? ? ? +HETATM 1110 C C19 . REA B 2 . ? 24.181 26.841 20.385 1.00 10.08 ? 200 REA A C19 1 200 ? ? ? ? +HETATM 1111 C C20 . REA B 2 . ? 24.303 23.747 24.489 1.00 10.10 ? 200 REA A C20 1 200 ? ? ? ? +HETATM 1112 O O1 . REA B 2 . ? 23.640 21.075 25.978 1.00 13.29 ? 200 REA A O1 1 200 ? ? ? ? +HETATM 1113 O O2 . REA B 2 . ? 21.840 21.712 27.037 1.00 10.99 ? 200 REA A O2 1 200 ? ? ? ? +HETATM 1114 O O . HOH C 3 . ? 21.817 19.604 31.169 1.00 17.43 ? 300 HOH A O 1 300 ? ? ? ? +HETATM 1115 O O . HOH C 3 . ? 7.617 26.892 37.107 1.00 12.66 ? 301 HOH A O 1 301 ? ? ? ? +HETATM 1116 O O . HOH C 3 . ? 22.885 27.835 25.056 1.00 18.86 ? 302 HOH A O 1 302 ? ? ? ? +HETATM 1117 O O . HOH C 3 . ? 30.685 27.402 22.818 1.00 14.12 ? 303 HOH A O 1 303 ? ? ? ? +HETATM 1118 O O . HOH C 3 . ? 29.930 20.839 40.398 1.00 16.48 ? 304 HOH A O 1 304 ? ? ? ? +HETATM 1119 O O . HOH C 3 . ? 31.492 21.096 28.452 1.00 16.65 ? 305 HOH A O 1 305 ? ? ? ? +HETATM 1120 O O . HOH C 3 . ? 19.459 26.601 30.320 1.00 9.81 ? 306 HOH A O 1 306 ? ? ? ? +HETATM 1121 O O . HOH C 3 . ? 19.116 26.759 22.930 1.00 22.33 ? 307 HOH A O 1 307 ? ? ? ? +HETATM 1122 O O . HOH C 3 . ? 16.356 22.299 28.453 1.00 35.46 ? 308 HOH A O 1 308 ? ? ? ? +HETATM 1123 O O . HOH C 3 . ? 21.823 21.939 29.734 1.00 13.95 ? 309 HOH A O 1 309 ? ? ? ? +HETATM 1124 O O . HOH C 3 . ? 13.206 22.267 22.102 1.00 20.07 ? 310 HOH A O 1 310 ? ? ? ? +HETATM 1125 O O . HOH C 3 . ? 30.300 22.803 12.740 1.00 24.70 ? 311 HOH A O 1 311 ? ? ? ? +HETATM 1126 O O . HOH C 3 . ? 7.344 23.059 35.600 1.00 8.82 ? 312 HOH A O 1 312 ? ? ? ? +HETATM 1127 O O . HOH C 3 . ? 6.876 22.668 20.375 1.00 29.74 ? 313 HOH A O 1 313 ? ? ? ? +HETATM 1128 O O . HOH C 3 . ? 17.917 24.800 29.159 1.00 23.69 ? 314 HOH A O 1 314 ? ? ? ? +HETATM 1129 O O . HOH C 3 . ? 37.101 16.714 38.714 1.00 19.84 ? 315 HOH A O 1 315 ? ? ? ? +HETATM 1130 O O . HOH C 3 . ? 28.721 7.425 30.043 1.00 14.94 ? 316 HOH A O 1 316 ? ? ? ? +HETATM 1131 O O . HOH C 3 . ? 13.212 14.450 25.193 1.00 18.03 ? 317 HOH A O 1 317 ? ? ? ? +HETATM 1132 O O . HOH C 3 . ? 6.094 9.777 39.151 1.00 13.98 ? 318 HOH A O 1 318 ? ? ? ? +HETATM 1133 O O . HOH C 3 . ? 19.296 10.379 13.144 1.00 27.20 ? 319 HOH A O 1 319 ? ? ? ? +HETATM 1134 O O . HOH C 3 . ? 25.337 10.931 16.577 1.00 18.41 ? 320 HOH A O 1 320 ? ? ? ? +HETATM 1135 O O . HOH C 3 . ? 25.244 34.269 18.193 1.00 9.65 ? 321 HOH A O 1 321 ? ? ? ? +HETATM 1136 O O . HOH C 3 . ? 23.567 10.727 14.429 1.00 11.13 ? 322 HOH A O 1 322 ? ? ? ? +HETATM 1137 O O . HOH C 3 . ? 17.151 12.178 30.238 1.00 11.53 ? 323 HOH A O 1 323 ? ? ? ? +HETATM 1138 O O . HOH C 3 . ? 27.768 11.967 42.077 1.00 23.33 ? 324 HOH A O 1 324 ? ? ? ? +HETATM 1139 O O . HOH C 3 . ? 30.270 12.554 21.386 1.00 25.05 ? 325 HOH A O 1 325 ? ? ? ? +HETATM 1140 O O . HOH C 3 . ? 25.662 15.488 18.515 1.00 10.80 ? 326 HOH A O 1 326 ? ? ? ? +HETATM 1141 O O . HOH C 3 . ? 4.514 21.426 18.685 1.00 45.94 ? 327 HOH A O 1 327 ? ? ? ? +HETATM 1142 O O . HOH C 3 . ? 8.081 23.201 17.690 1.00 30.16 ? 328 HOH A O 1 328 ? ? ? ? +HETATM 1143 O O . HOH C 3 . ? 13.242 29.389 14.924 1.00 39.93 ? 329 HOH A O 1 329 ? ? ? ? +HETATM 1144 O O . HOH C 3 . ? 10.514 18.772 10.176 1.00 33.65 ? 330 HOH A O 1 330 ? ? ? ? +HETATM 1145 O O . HOH C 3 . ? 10.555 13.666 26.313 1.00 32.55 ? 331 HOH A O 1 331 ? ? ? ? +HETATM 1146 O O . HOH C 3 . ? 5.189 16.418 31.375 1.00 35.78 ? 332 HOH A O 1 332 ? ? ? ? +HETATM 1147 O O . HOH C 3 . ? 0.738 25.633 36.349 1.00 29.00 ? 333 HOH A O 1 333 ? ? ? ? +HETATM 1148 O O . HOH C 3 . ? 2.976 28.966 37.321 1.00 40.14 ? 334 HOH A O 1 334 ? ? ? ? +HETATM 1149 O O . HOH C 3 . ? 6.424 28.750 38.849 1.00 32.17 ? 335 HOH A O 1 335 ? ? ? ? +HETATM 1150 O O . HOH C 3 . ? 12.503 30.488 31.704 1.00 41.11 ? 336 HOH A O 1 336 ? ? ? ? +HETATM 1151 O O . HOH C 3 . ? 14.979 30.157 27.559 1.00 23.78 ? 337 HOH A O 1 337 ? ? ? ? +HETATM 1152 O O . HOH C 3 . ? 17.312 32.981 28.812 1.00 20.84 ? 338 HOH A O 1 338 ? ? ? ? +HETATM 1153 O O . HOH C 3 . ? 29.473 25.946 34.693 1.00 29.05 ? 339 HOH A O 1 339 ? ? ? ? +HETATM 1154 O O . HOH C 3 . ? 30.328 23.817 33.494 1.00 24.17 ? 340 HOH A O 1 340 ? ? ? ? +HETATM 1155 O O . HOH C 3 . ? 31.158 28.144 26.433 1.00 42.66 ? 341 HOH A O 1 341 ? ? ? ? +HETATM 1156 O O . HOH C 3 . ? 30.276 28.397 16.400 1.00 21.90 ? 342 HOH A O 1 342 ? ? ? ? +HETATM 1157 O O . HOH C 3 . ? 19.533 23.600 26.857 1.00 21.12 ? 343 HOH A O 1 343 ? ? ? ? +HETATM 1158 O O . HOH C 3 . ? 17.892 24.675 24.549 1.00 48.11 ? 344 HOH A O 1 344 ? ? ? ? +HETATM 1159 O O . HOH C 3 . ? 14.211 24.152 25.435 1.00 21.09 ? 345 HOH A O 1 345 ? ? ? ? +HETATM 1160 O O . HOH C 3 . ? 15.223 27.626 27.056 1.00 27.16 ? 346 HOH A O 1 346 ? ? ? ? +HETATM 1161 O O . HOH C 3 . ? 3.502 22.911 43.083 1.00 30.15 ? 347 HOH A O 1 347 ? ? ? ? +HETATM 1162 O O . HOH C 3 . ? 20.610 7.668 40.212 1.00 49.06 ? 348 HOH A O 1 348 ? ? ? ? +HETATM 1163 O O . HOH C 3 . ? 24.813 2.899 36.403 1.00 48.98 ? 349 HOH A O 1 349 ? ? ? ? +HETATM 1164 O O . HOH C 3 . ? 29.900 5.163 26.918 1.00 23.60 ? 350 HOH A O 1 350 ? ? ? ? +HETATM 1165 O O . HOH C 3 . ? 14.333 5.466 42.757 1.00 22.90 ? 351 HOH A O 1 351 ? ? ? ? +HETATM 1166 O O . HOH C 3 . ? 8.914 5.771 35.515 1.00 35.92 ? 352 HOH A O 1 352 ? ? ? ? +HETATM 1167 O O . HOH C 3 . ? 14.519 28.906 40.193 1.00 28.73 ? 353 HOH A O 1 353 ? ? ? ? +HETATM 1168 O O . HOH C 3 . ? 17.573 20.203 47.080 1.00 37.63 ? 354 HOH A O 1 354 ? ? ? ? +HETATM 1169 O O . HOH C 3 . ? 13.324 32.251 34.152 1.00 47.79 ? 355 HOH A O 1 355 ? ? ? ? +HETATM 1170 O O . HOH C 3 . ? 12.491 24.840 7.594 1.00 39.45 ? 356 HOH A O 1 356 ? ? ? ? +HETATM 1171 O O . HOH C 3 . ? 25.066 15.777 15.214 1.00 27.39 ? 357 HOH A O 1 357 ? ? ? ? +HETATM 1172 O O . HOH C 3 . ? 27.138 17.638 17.834 1.00 45.12 ? 358 HOH A O 1 358 ? ? ? ? +HETATM 1173 O O . HOH C 3 . ? 27.611 19.792 19.503 1.00 24.45 ? 359 HOH A O 1 359 ? ? ? ? +HETATM 1174 O O . HOH C 3 . ? 11.358 8.880 19.119 1.00 24.31 ? 360 HOH A O 1 360 ? ? ? ? +HETATM 1175 O O . HOH C 3 . ? 16.252 27.169 24.557 1.00 25.40 ? 361 HOH A O 1 361 ? ? ? ? +HETATM 1176 O O . HOH C 3 . ? 22.049 27.870 4.565 1.00 25.37 ? 362 HOH A O 1 362 ? ? ? ? +HETATM 1177 O O . HOH C 3 . ? 11.533 6.689 34.501 1.00 29.92 ? 363 HOH A O 1 363 ? ? ? ? +HETATM 1178 O O . HOH C 3 . ? 13.269 4.551 36.338 1.00 45.75 ? 364 HOH A O 1 364 ? ? ? ? +HETATM 1179 O O . HOH C 3 . ? 23.149 9.493 41.173 1.00 30.10 ? 365 HOH A O 1 365 ? ? ? ? +HETATM 1180 O O . HOH C 3 . ? 21.090 12.171 43.973 1.00 27.97 ? 366 HOH A O 1 366 ? ? ? ? +HETATM 1181 O O . HOH C 3 . ? 11.884 13.399 42.560 1.00 23.28 ? 367 HOH A O 1 367 ? ? ? ? +HETATM 1182 O O . HOH C 3 . ? 29.542 17.520 20.025 1.00 38.32 ? 368 HOH A O 1 368 ? ? ? ? +HETATM 1183 O O . HOH C 3 . ? 31.058 17.427 22.538 1.00 37.85 ? 369 HOH A O 1 369 ? ? ? ? +HETATM 1184 O O . HOH C 3 . ? 31.928 9.444 23.294 1.00 46.07 ? 370 HOH A O 1 370 ? ? ? ? +HETATM 1185 O O . HOH C 3 . ? 25.699 10.933 9.557 1.00 44.12 ? 371 HOH A O 1 371 ? ? ? ? +HETATM 1186 O O . HOH C 3 . ? 26.533 13.428 16.334 1.00 45.21 ? 372 HOH A O 1 372 ? ? ? ? +HETATM 1187 O O . HOH C 3 . ? 27.078 16.850 13.245 1.00 39.52 ? 373 HOH A O 1 373 ? ? ? ? +HETATM 1188 O O . HOH C 3 . ? 20.596 32.070 6.807 1.00 36.38 ? 374 HOH A O 1 374 ? ? ? ? +HETATM 1189 O O . HOH C 3 . ? 17.126 28.421 9.515 1.00 23.81 ? 375 HOH A O 1 375 ? ? ? ? +HETATM 1190 O O . HOH C 3 . ? 16.626 32.383 11.231 1.00 20.11 ? 376 HOH A O 1 376 ? ? ? ? +HETATM 1191 O O . HOH C 3 . ? 6.046 30.510 19.639 1.00 29.02 ? 377 HOH A O 1 377 ? ? ? ? +HETATM 1192 O O . HOH C 3 . ? 9.543 16.072 11.145 1.00 50.91 ? 378 HOH A O 1 378 ? ? ? ? +HETATM 1193 O O . HOH C 3 . ? 8.174 14.289 20.240 1.00 54.21 ? 379 HOH A O 1 379 ? ? ? ? +HETATM 1194 O O . HOH C 3 . ? 11.561 10.834 22.873 1.00 43.23 ? 380 HOH A O 1 380 ? ? ? ? +HETATM 1195 O O . HOH C 3 . ? 5.486 15.385 24.922 1.00 50.19 ? 381 HOH A O 1 381 ? ? ? ? +HETATM 1196 O O . HOH C 3 . ? 6.038 21.424 43.276 1.00 46.64 ? 382 HOH A O 1 382 ? ? ? ? +HETATM 1197 O O . HOH C 3 . ? 34.144 19.165 27.284 1.00 41.41 ? 383 HOH A O 1 383 ? ? ? ? +HETATM 1198 O O . HOH C 3 . ? 16.916 27.142 42.621 1.00 29.32 ? 384 HOH A O 1 384 ? ? ? ? +HETATM 1199 O O . HOH C 3 . ? 25.509 24.918 41.520 1.00 32.12 ? 385 HOH A O 1 385 ? ? ? ? +HETATM 1200 O O . HOH C 3 . ? 31.446 7.504 31.389 1.00 28.93 ? 386 HOH A O 1 386 ? ? ? ? +HETATM 1201 O O . HOH C 3 . ? 18.212 20.893 5.892 1.00 29.90 ? 387 HOH A O 1 387 ? ? ? ? +HETATM 1202 O O . HOH C 3 . ? 15.148 27.608 7.685 1.00 30.91 ? 388 HOH A O 1 388 ? ? ? ? +HETATM 1203 O O . HOH C 3 . ? 2.656 23.148 20.117 1.00 35.98 ? 389 HOH A O 1 389 ? ? ? ? +HETATM 1204 O O . HOH C 3 . ? 3.100 22.690 28.640 1.00 31.31 ? 390 HOH A O 1 390 ? ? ? ? +HETATM 1205 O O . HOH C 3 . ? 13.699 19.720 21.819 1.00 26.56 ? 391 HOH A O 1 391 ? ? ? ? +HETATM 1206 O O . HOH C 3 . ? 26.833 28.283 32.272 1.00 31.48 ? 392 HOH A O 1 392 ? ? ? ? +HETATM 1207 O O . HOH C 3 . ? 20.458 26.214 25.811 1.00 24.39 ? 393 HOH A O 1 393 ? ? ? ? +HETATM 1208 O O . HOH C 3 . ? 32.304 27.731 18.152 1.00 41.66 ? 394 HOH A O 1 394 ? ? ? ? +HETATM 1209 O O . HOH C 3 . ? 24.283 13.868 42.687 1.00 35.59 ? 395 HOH A O 1 395 ? ? ? ? +HETATM 1210 O O . HOH C 3 . ? 11.833 12.657 45.160 1.00 38.30 ? 396 HOH A O 1 396 ? ? ? ? +HETATM 1211 O O . HOH C 3 . ? 1.988 27.992 43.589 1.00 33.97 ? 397 HOH A O 1 397 ? ? ? ? +HETATM 1212 O O . HOH C 3 . ? 32.913 22.982 40.176 1.00 39.26 ? 398 HOH A O 1 398 ? ? ? ? +HETATM 1213 O O . HOH C 3 . ? 32.435 20.043 40.169 1.00 33.87 ? 399 HOH A O 1 399 ? ? ? ? +# +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.ndb_seq_num +_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 +_pdbx_poly_seq_scheme.hetero +A 1 1 PRO 1 1 1 PRO PRO A . n +A 1 2 ASN 2 2 2 ASN ASN A . n +A 1 3 PHE 3 3 3 PHE PHE A . n +A 1 4 SER 4 4 4 SER SER A . n +A 1 5 GLY 5 5 5 GLY GLY A . n +A 1 6 ASN 6 6 6 ASN ASN A . n +A 1 7 TRP 7 7 7 TRP TRP A . n +A 1 8 LYS 8 8 8 LYS LYS A . n +A 1 9 ILE 9 9 9 ILE ILE A . n +A 1 10 ILE 10 10 10 ILE ILE A . n +A 1 11 ARG 11 11 11 ARG ARG A . n +A 1 12 SER 12 12 12 SER SER A . n +A 1 13 GLU 13 13 13 GLU GLU A . n +A 1 14 ASN 14 14 14 ASN ASN A . n +A 1 15 PHE 15 15 15 PHE PHE A . n +A 1 16 GLU 16 16 16 GLU GLU A . n +A 1 17 GLU 17 17 17 GLU GLU A . n +A 1 18 LEU 18 18 18 LEU LEU A . n +A 1 19 LEU 19 19 19 LEU LEU A . n +A 1 20 LYS 20 20 20 LYS LYS A . n +A 1 21 VAL 21 21 21 VAL VAL A . n +A 1 22 LEU 22 22 22 LEU LEU A . n +A 1 23 GLY 23 23 23 GLY GLY A . n +A 1 24 VAL 24 24 24 VAL VAL A . n +A 1 25 ASN 25 25 25 ASN ASN A . n +A 1 26 VAL 26 26 26 VAL VAL A . n +A 1 27 MET 27 27 27 MET MET A . n +A 1 28 LEU 28 28 28 LEU LEU A . n +A 1 29 ARG 29 29 29 ARG ARG A . n +A 1 30 LYS 30 30 30 LYS LYS A . n +A 1 31 ILE 31 31 31 ILE ILE A . n +A 1 32 ALA 32 32 32 ALA ALA A . n +A 1 33 VAL 33 33 33 VAL VAL A . n +A 1 34 ALA 34 34 34 ALA ALA A . n +A 1 35 ALA 35 35 35 ALA ALA A . n +A 1 36 ALA 36 36 36 ALA ALA A . n +A 1 37 SER 37 37 37 SER SER A . n +A 1 38 LYS 38 38 38 LYS LYS A . n +A 1 39 PRO 39 39 39 PRO PRO A . n +A 1 40 ALA 40 40 40 ALA ALA A . n +A 1 41 VAL 41 41 41 VAL VAL A . n +A 1 42 GLU 42 42 42 GLU GLU A . n +A 1 43 ILE 43 43 43 ILE ILE A . n +A 1 44 LYS 44 44 44 LYS LYS A . n +A 1 45 GLN 45 45 45 GLN GLN A . n +A 1 46 GLU 46 46 46 GLU GLU A . n +A 1 47 GLY 47 47 47 GLY GLY A . n +A 1 48 ASP 48 48 48 ASP ASP A . n +A 1 49 THR 49 49 49 THR THR A . n +A 1 50 PHE 50 50 50 PHE PHE A . n +A 1 51 TYR 51 51 51 TYR TYR A . n +A 1 52 ILE 52 52 52 ILE ILE A . n +A 1 53 LYS 53 53 53 LYS LYS A . n +A 1 54 THR 54 54 54 THR THR A . n +A 1 55 SER 55 55 55 SER SER A . n +A 1 56 THR 56 56 56 THR THR A . n +A 1 57 THR 57 57 57 THR THR A . n +A 1 58 VAL 58 58 58 VAL VAL A . n +A 1 59 ARG 59 59 59 ARG ARG A . n +A 1 60 THR 60 60 60 THR THR A . n +A 1 61 THR 61 61 61 THR THR A . n +A 1 62 GLU 62 62 62 GLU GLU A . n +A 1 63 ILE 63 63 63 ILE ILE A . n +A 1 64 ASN 64 64 64 ASN ASN A . n +A 1 65 PHE 65 65 65 PHE PHE A . n +A 1 66 LYS 66 66 66 LYS LYS A . n +A 1 67 VAL 67 67 67 VAL VAL A . n +A 1 68 GLY 68 68 68 GLY GLY A . n +A 1 69 GLU 69 69 69 GLU GLU A . n +A 1 70 GLU 70 70 70 GLU GLU A . n +A 1 71 PHE 71 71 71 PHE PHE A . n +A 1 72 GLU 72 72 72 GLU GLU A . n +A 1 73 GLU 73 73 73 GLU GLU A . n +A 1 74 GLN 74 74 74 GLN GLN A . n +A 1 75 THR 75 75 75 THR THR A . n +A 1 76 VAL 76 76 76 VAL VAL A . n +A 1 77 ASP 77 77 77 ASP ASP A . n +A 1 78 GLY 78 78 78 GLY GLY A . n +A 1 79 ARG 79 79 79 ARG ARG A . n +A 1 80 PRO 80 80 80 PRO PRO A . n +A 1 81 CYS 81 81 81 CYS CYS A . n +A 1 82 LYS 82 82 82 LYS LYS A . n +A 1 83 SER 83 83 83 SER SER A . n +A 1 84 LEU 84 84 84 LEU LEU A . n +A 1 85 VAL 85 85 85 VAL VAL A . n +A 1 86 LYS 86 86 86 LYS LYS A . n +A 1 87 TRP 87 87 87 TRP TRP A . n +A 1 88 GLU 88 88 88 GLU GLU A . n +A 1 89 SER 89 89 89 SER SER A . n +A 1 90 GLU 90 90 90 GLU GLU A . n +A 1 91 ASN 91 91 91 ASN ASN A . n +A 1 92 LYS 92 92 92 LYS LYS A . n +A 1 93 MET 93 93 93 MET MET A . n +A 1 94 VAL 94 94 94 VAL VAL A . n +A 1 95 CYS 95 95 95 CYS CYS A . n +A 1 96 GLU 96 96 96 GLU GLU A . n +A 1 97 GLN 97 97 97 GLN GLN A . n +A 1 98 LYS 98 98 98 LYS LYS A . n +A 1 99 LEU 99 99 99 LEU LEU A . n +A 1 100 LEU 100 100 100 LEU LEU A . n +A 1 101 LYS 101 101 101 LYS LYS A . n +A 1 102 GLY 102 102 102 GLY GLY A . n +A 1 103 GLU 103 103 103 GLU GLU A . n +A 1 104 GLY 104 104 104 GLY GLY A . n +A 1 105 PRO 105 105 105 PRO PRO A . n +A 1 106 LYS 106 106 106 LYS LYS A . n +A 1 107 THR 107 107 107 THR THR A . n +A 1 108 SER 108 108 108 SER SER A . n +A 1 109 TRP 109 109 109 TRP TRP A . n +A 1 110 THR 110 110 110 THR THR A . n +A 1 111 ARG 111 111 111 ARG ARG A . n +A 1 112 GLU 112 112 112 GLU GLU A . n +A 1 113 LEU 113 113 113 LEU LEU A . n +A 1 114 THR 114 114 114 THR THR A . n +A 1 115 ASN 115 115 115 ASN ASN A . n +A 1 116 ASP 116 116 116 ASP ASP A . n +A 1 117 GLY 117 117 117 GLY GLY A . n +A 1 118 GLU 118 118 118 GLU GLU A . n +A 1 119 LEU 119 119 119 LEU LEU A . n +A 1 120 ILE 120 120 120 ILE ILE A . n +A 1 121 LEU 121 121 121 LEU LEU A . n +A 1 122 THR 122 122 122 THR THR A . n +A 1 123 MET 123 123 123 MET MET A . n +A 1 124 THR 124 124 124 THR THR A . n +A 1 125 ALA 125 125 125 ALA ALA A . n +A 1 126 ASP 126 126 126 ASP ASP A . n +A 1 127 ASP 127 127 127 ASP ASP A . n +A 1 128 VAL 128 128 128 VAL VAL A . n +A 1 129 VAL 129 129 129 VAL VAL A . n +A 1 130 CYS 130 130 130 CYS CYS A . n +A 1 131 THR 131 131 131 THR THR A . n +A 1 132 ARG 132 132 132 ARG ARG A . n +A 1 133 VAL 133 133 133 VAL VAL A . n +A 1 134 TYR 134 134 134 TYR TYR A . n +A 1 135 VAL 135 135 135 VAL VAL A . n +A 1 136 ARG 136 136 136 ARG ARG A . n +A 1 137 GLU 137 137 137 GLU GLU A . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 REA 1 200 200 REA REA A . +C 3 HOH 1 300 300 HOH HOH A . +C 3 HOH 2 301 301 HOH HOH A . +C 3 HOH 3 302 302 HOH HOH A . +C 3 HOH 4 303 303 HOH HOH A . +C 3 HOH 5 304 304 HOH HOH A . +C 3 HOH 6 305 305 HOH HOH A . +C 3 HOH 7 306 306 HOH HOH A . +C 3 HOH 8 307 307 HOH HOH A . +C 3 HOH 9 308 308 HOH HOH A . +C 3 HOH 10 309 309 HOH HOH A . +C 3 HOH 11 310 310 HOH HOH A . +C 3 HOH 12 311 311 HOH HOH A . +C 3 HOH 13 312 312 HOH HOH A . +C 3 HOH 14 313 313 HOH HOH A . +C 3 HOH 15 314 314 HOH HOH A . +C 3 HOH 16 315 315 HOH HOH A . +C 3 HOH 17 316 316 HOH HOH A . +C 3 HOH 18 317 317 HOH HOH A . +C 3 HOH 19 318 318 HOH HOH A . +C 3 HOH 20 319 319 HOH HOH A . +C 3 HOH 21 320 320 HOH HOH A . +C 3 HOH 22 321 321 HOH HOH A . +C 3 HOH 23 322 322 HOH HOH A . +C 3 HOH 24 323 323 HOH HOH A . +C 3 HOH 25 324 324 HOH HOH A . +C 3 HOH 26 325 325 HOH HOH A . +C 3 HOH 27 326 326 HOH HOH A . +C 3 HOH 28 327 327 HOH HOH A . +C 3 HOH 29 328 328 HOH HOH A . +C 3 HOH 30 329 329 HOH HOH A . +C 3 HOH 31 330 330 HOH HOH A . +C 3 HOH 32 331 331 HOH HOH A . +C 3 HOH 33 332 332 HOH HOH A . +C 3 HOH 34 333 333 HOH HOH A . +C 3 HOH 35 334 334 HOH HOH A . +C 3 HOH 36 335 335 HOH HOH A . +C 3 HOH 37 336 336 HOH HOH A . +C 3 HOH 38 337 337 HOH HOH A . +C 3 HOH 39 338 338 HOH HOH A . +C 3 HOH 40 339 339 HOH HOH A . +C 3 HOH 41 340 340 HOH HOH A . +C 3 HOH 42 341 341 HOH HOH A . +C 3 HOH 43 342 342 HOH HOH A . +C 3 HOH 44 343 343 HOH HOH A . +C 3 HOH 45 344 344 HOH HOH A . +C 3 HOH 46 345 345 HOH HOH A . +C 3 HOH 47 346 346 HOH HOH A . +C 3 HOH 48 347 347 HOH HOH A . +C 3 HOH 49 348 348 HOH HOH A . +C 3 HOH 50 349 349 HOH HOH A . +C 3 HOH 51 350 350 HOH HOH A . +C 3 HOH 52 351 351 HOH HOH A . +C 3 HOH 53 352 352 HOH HOH A . +C 3 HOH 54 353 353 HOH HOH A . +C 3 HOH 55 354 354 HOH HOH A . +C 3 HOH 56 355 355 HOH HOH A . +C 3 HOH 57 356 356 HOH HOH A . +C 3 HOH 58 357 357 HOH HOH A . +C 3 HOH 59 358 358 HOH HOH A . +C 3 HOH 60 359 359 HOH HOH A . +C 3 HOH 61 360 360 HOH HOH A . +C 3 HOH 62 361 361 HOH HOH A . +C 3 HOH 63 362 362 HOH HOH A . +C 3 HOH 64 363 363 HOH HOH A . +C 3 HOH 65 364 364 HOH HOH A . +C 3 HOH 66 365 365 HOH HOH A . +C 3 HOH 67 366 366 HOH HOH A . +C 3 HOH 68 367 367 HOH HOH A . +C 3 HOH 69 368 368 HOH HOH A . +C 3 HOH 70 369 369 HOH HOH A . +C 3 HOH 71 370 370 HOH HOH A . +C 3 HOH 72 371 371 HOH HOH A . +C 3 HOH 73 372 372 HOH HOH A . +C 3 HOH 74 373 373 HOH HOH A . +C 3 HOH 75 374 374 HOH HOH A . +C 3 HOH 76 375 375 HOH HOH A . +C 3 HOH 77 376 376 HOH HOH A . +C 3 HOH 78 377 377 HOH HOH A . +C 3 HOH 79 378 378 HOH HOH A . +C 3 HOH 80 379 379 HOH HOH A . +C 3 HOH 81 380 380 HOH HOH A . +C 3 HOH 82 381 381 HOH HOH A . +C 3 HOH 83 382 382 HOH HOH A . +C 3 HOH 84 383 383 HOH HOH A . +C 3 HOH 85 384 384 HOH HOH A . +C 3 HOH 86 385 385 HOH HOH A . +C 3 HOH 87 386 386 HOH HOH A . +C 3 HOH 88 387 387 HOH HOH A . +C 3 HOH 89 388 388 HOH HOH A . +C 3 HOH 90 389 389 HOH HOH A . +C 3 HOH 91 390 390 HOH HOH A . +C 3 HOH 92 391 391 HOH HOH A . +C 3 HOH 93 392 392 HOH HOH A . +C 3 HOH 94 393 393 HOH HOH A . +C 3 HOH 95 394 394 HOH HOH A . +C 3 HOH 96 395 395 HOH HOH A . +C 3 HOH 97 396 396 HOH HOH A . +C 3 HOH 98 397 397 HOH HOH A . +C 3 HOH 99 398 398 HOH HOH A . +C 3 HOH 100 399 399 HOH HOH A . +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details monomeric +_pdbx_struct_assembly.oligomeric_count 1 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +X-PLOR 'model building' . ? 1 +X-PLOR refinement . ? 2 +X-PLOR phasing . ? 3 +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 GLU A 73 ? ? -144.94 -154.28 +2 1 ASP A 126 ? ? 55.69 -115.96 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +2 'RETINOIC ACID' REA +3 water HOH +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +ALA N CA SING N N 1 +ALA N H SING N N 2 +ALA N H2 SING N N 3 +ALA CA C SING N N 4 +ALA CA CB SING N N 5 +ALA CA HA SING N N 6 +ALA C O DOUB N N 7 +ALA C OXT SING N N 8 +ALA CB HB1 SING N N 9 +ALA CB HB2 SING N N 10 +ALA CB HB3 SING N N 11 +ALA OXT HXT SING N N 12 +ARG N CA SING N N 1 +ARG N H SING N N 2 +ARG N H2 SING N N 3 +ARG CA C SING N N 4 +ARG CA CB SING N N 5 +ARG CA HA SING N N 6 +ARG C O DOUB N N 7 +ARG C OXT SING N N 8 +ARG CB CG SING N N 9 +ARG CB HB2 SING N N 10 +ARG CB HB3 SING N N 11 +ARG CG CD SING N N 12 +ARG CG HG2 SING N N 13 +ARG CG HG3 SING N N 14 +ARG CD NE SING N N 15 +ARG CD HD2 SING N N 16 +ARG CD HD3 SING N N 17 +ARG NE CZ SING N N 18 +ARG NE HE SING N N 19 +ARG CZ NH1 SING N N 20 +ARG CZ NH2 DOUB N N 21 +ARG NH1 HH11 SING N N 22 +ARG NH1 HH12 SING N N 23 +ARG NH2 HH21 SING N N 24 +ARG NH2 HH22 SING N N 25 +ARG OXT HXT SING N N 26 +ASN N CA SING N N 1 +ASN N H SING N N 2 +ASN N H2 SING N N 3 +ASN CA C SING N N 4 +ASN CA CB SING N N 5 +ASN CA HA SING N N 6 +ASN C O DOUB N N 7 +ASN C OXT SING N N 8 +ASN CB CG SING N N 9 +ASN CB HB2 SING N N 10 +ASN CB HB3 SING N N 11 +ASN CG OD1 DOUB N N 12 +ASN CG ND2 SING N N 13 +ASN ND2 HD21 SING N N 14 +ASN ND2 HD22 SING N N 15 +ASN OXT HXT SING N N 16 +ASP N CA SING N N 1 +ASP N H SING N N 2 +ASP N H2 SING N N 3 +ASP CA C SING N N 4 +ASP CA CB SING N N 5 +ASP CA HA SING N N 6 +ASP C O DOUB N N 7 +ASP C OXT SING N N 8 +ASP CB CG SING N N 9 +ASP CB HB2 SING N N 10 +ASP CB HB3 SING N N 11 +ASP CG OD1 DOUB N N 12 +ASP CG OD2 SING N N 13 +ASP OD2 HD2 SING N N 14 +ASP OXT HXT SING N N 15 +CYS N CA SING N N 1 +CYS N H SING N N 2 +CYS N H2 SING N N 3 +CYS CA C SING N N 4 +CYS CA CB SING N N 5 +CYS CA HA SING N N 6 +CYS C O DOUB N N 7 +CYS C OXT SING N N 8 +CYS CB SG SING N N 9 +CYS CB HB2 SING N N 10 +CYS CB HB3 SING N N 11 +CYS SG HG SING N N 12 +CYS OXT HXT SING N N 13 +GLN N CA SING N N 1 +GLN N H SING N N 2 +GLN N H2 SING N N 3 +GLN CA C SING N N 4 +GLN CA CB SING N N 5 +GLN CA HA SING N N 6 +GLN C O DOUB N N 7 +GLN C OXT SING N N 8 +GLN CB CG SING N N 9 +GLN CB HB2 SING N N 10 +GLN CB HB3 SING N N 11 +GLN CG CD SING N N 12 +GLN CG HG2 SING N N 13 +GLN CG HG3 SING N N 14 +GLN CD OE1 DOUB N N 15 +GLN CD NE2 SING N N 16 +GLN NE2 HE21 SING N N 17 +GLN NE2 HE22 SING N N 18 +GLN OXT HXT SING N N 19 +GLU N CA SING N N 1 +GLU N H SING N N 2 +GLU N H2 SING N N 3 +GLU CA C SING N N 4 +GLU CA CB SING N N 5 +GLU CA HA SING N N 6 +GLU C O DOUB N N 7 +GLU C OXT SING N N 8 +GLU CB CG SING N N 9 +GLU CB HB2 SING N N 10 +GLU CB HB3 SING N N 11 +GLU CG CD SING N N 12 +GLU CG HG2 SING N N 13 +GLU CG HG3 SING N N 14 +GLU CD OE1 DOUB N N 15 +GLU CD OE2 SING N N 16 +GLU OE2 HE2 SING N N 17 +GLU OXT HXT SING N N 18 +GLY N CA SING N N 1 +GLY N H SING N N 2 +GLY N H2 SING N N 3 +GLY CA C SING N N 4 +GLY CA HA2 SING N N 5 +GLY CA HA3 SING N N 6 +GLY C O DOUB N N 7 +GLY C OXT SING N N 8 +GLY OXT HXT SING N N 9 +HOH O H1 SING N N 1 +HOH O H2 SING N N 2 +ILE N CA SING N N 1 +ILE N H SING N N 2 +ILE N H2 SING N N 3 +ILE CA C SING N N 4 +ILE CA CB SING N N 5 +ILE CA HA SING N N 6 +ILE C O DOUB N N 7 +ILE C OXT SING N N 8 +ILE CB CG1 SING N N 9 +ILE CB CG2 SING N N 10 +ILE CB HB SING N N 11 +ILE CG1 CD1 SING N N 12 +ILE CG1 HG12 SING N N 13 +ILE CG1 HG13 SING N N 14 +ILE CG2 HG21 SING N N 15 +ILE CG2 HG22 SING N N 16 +ILE CG2 HG23 SING N N 17 +ILE CD1 HD11 SING N N 18 +ILE CD1 HD12 SING N N 19 +ILE CD1 HD13 SING N N 20 +ILE OXT HXT SING N N 21 +LEU N CA SING N N 1 +LEU N H SING N N 2 +LEU N H2 SING N N 3 +LEU CA C SING N N 4 +LEU CA CB SING N N 5 +LEU CA HA SING N N 6 +LEU C O DOUB N N 7 +LEU C OXT SING N N 8 +LEU CB CG SING N N 9 +LEU CB HB2 SING N N 10 +LEU CB HB3 SING N N 11 +LEU CG CD1 SING N N 12 +LEU CG CD2 SING N N 13 +LEU CG HG SING N N 14 +LEU CD1 HD11 SING N N 15 +LEU CD1 HD12 SING N N 16 +LEU CD1 HD13 SING N N 17 +LEU CD2 HD21 SING N N 18 +LEU CD2 HD22 SING N N 19 +LEU CD2 HD23 SING N N 20 +LEU OXT HXT SING N N 21 +LYS N CA SING N N 1 +LYS N H SING N N 2 +LYS N H2 SING N N 3 +LYS CA C SING N N 4 +LYS CA CB SING N N 5 +LYS CA HA SING N N 6 +LYS C O DOUB N N 7 +LYS C OXT SING N N 8 +LYS CB CG SING N N 9 +LYS CB HB2 SING N N 10 +LYS CB HB3 SING N N 11 +LYS CG CD SING N N 12 +LYS CG HG2 SING N N 13 +LYS CG HG3 SING N N 14 +LYS CD CE SING N N 15 +LYS CD HD2 SING N N 16 +LYS CD HD3 SING N N 17 +LYS CE NZ SING N N 18 +LYS CE HE2 SING N N 19 +LYS CE HE3 SING N N 20 +LYS NZ HZ1 SING N N 21 +LYS NZ HZ2 SING N N 22 +LYS NZ HZ3 SING N N 23 +LYS OXT HXT SING N N 24 +MET N CA SING N N 1 +MET N H SING N N 2 +MET N H2 SING N N 3 +MET CA C SING N N 4 +MET CA CB SING N N 5 +MET CA HA SING N N 6 +MET C O DOUB N N 7 +MET C OXT SING N N 8 +MET CB CG SING N N 9 +MET CB HB2 SING N N 10 +MET CB HB3 SING N N 11 +MET CG SD SING N N 12 +MET CG HG2 SING N N 13 +MET CG HG3 SING N N 14 +MET SD CE SING N N 15 +MET CE HE1 SING N N 16 +MET CE HE2 SING N N 17 +MET CE HE3 SING N N 18 +MET OXT HXT SING N N 19 +PHE N CA SING N N 1 +PHE N H SING N N 2 +PHE N H2 SING N N 3 +PHE CA C SING N N 4 +PHE CA CB SING N N 5 +PHE CA HA SING N N 6 +PHE C O DOUB N N 7 +PHE C OXT SING N N 8 +PHE CB CG SING N N 9 +PHE CB HB2 SING N N 10 +PHE CB HB3 SING N N 11 +PHE CG CD1 DOUB Y N 12 +PHE CG CD2 SING Y N 13 +PHE CD1 CE1 SING Y N 14 +PHE CD1 HD1 SING N N 15 +PHE CD2 CE2 DOUB Y N 16 +PHE CD2 HD2 SING N N 17 +PHE CE1 CZ DOUB Y N 18 +PHE CE1 HE1 SING N N 19 +PHE CE2 CZ SING Y N 20 +PHE CE2 HE2 SING N N 21 +PHE CZ HZ SING N N 22 +PHE OXT HXT SING N N 23 +PRO N CA SING N N 1 +PRO N CD SING N N 2 +PRO N H SING N N 3 +PRO CA C SING N N 4 +PRO CA CB SING N N 5 +PRO CA HA SING N N 6 +PRO C O DOUB N N 7 +PRO C OXT SING N N 8 +PRO CB CG SING N N 9 +PRO CB HB2 SING N N 10 +PRO CB HB3 SING N N 11 +PRO CG CD SING N N 12 +PRO CG HG2 SING N N 13 +PRO CG HG3 SING N N 14 +PRO CD HD2 SING N N 15 +PRO CD HD3 SING N N 16 +PRO OXT HXT SING N N 17 +REA C1 C2 SING N N 1 +REA C1 C6 SING N N 2 +REA C1 C16 SING N N 3 +REA C1 C17 SING N N 4 +REA C2 C3 SING N N 5 +REA C2 H21 SING N N 6 +REA C2 H22 SING N N 7 +REA C3 C4 SING N N 8 +REA C3 H31 SING N N 9 +REA C3 H32 SING N N 10 +REA C4 C5 SING N N 11 +REA C4 H41 SING N N 12 +REA C4 H42 SING N N 13 +REA C5 C6 DOUB N N 14 +REA C5 C18 SING N N 15 +REA C6 C7 SING N N 16 +REA C7 C8 DOUB N E 17 +REA C7 H7 SING N N 18 +REA C8 C9 SING N N 19 +REA C8 H8 SING N N 20 +REA C9 C10 DOUB N E 21 +REA C9 C19 SING N N 22 +REA C10 C11 SING N N 23 +REA C10 H10 SING N N 24 +REA C11 C12 DOUB N E 25 +REA C11 H11 SING N N 26 +REA C12 C13 SING N N 27 +REA C12 H12 SING N N 28 +REA C13 C14 DOUB N E 29 +REA C13 C20 SING N N 30 +REA C14 C15 SING N N 31 +REA C14 H14 SING N N 32 +REA C15 O1 DOUB N N 33 +REA C15 O2 SING N N 34 +REA C16 H161 SING N N 35 +REA C16 H162 SING N N 36 +REA C16 H163 SING N N 37 +REA C17 H171 SING N N 38 +REA C17 H172 SING N N 39 +REA C17 H173 SING N N 40 +REA C18 H181 SING N N 41 +REA C18 H182 SING N N 42 +REA C18 H183 SING N N 43 +REA C19 H191 SING N N 44 +REA C19 H192 SING N N 45 +REA C19 H193 SING N N 46 +REA C20 H201 SING N N 47 +REA C20 H202 SING N N 48 +REA C20 H203 SING N N 49 +REA O2 HO2 SING N N 50 +SER N CA SING N N 1 +SER N H SING N N 2 +SER N H2 SING N N 3 +SER CA C SING N N 4 +SER CA CB SING N N 5 +SER CA HA SING N N 6 +SER C O DOUB N N 7 +SER C OXT SING N N 8 +SER CB OG SING N N 9 +SER CB HB2 SING N N 10 +SER CB HB3 SING N N 11 +SER OG HG SING N N 12 +SER OXT HXT SING N N 13 +THR N CA SING N N 1 +THR N H SING N N 2 +THR N H2 SING N N 3 +THR CA C SING N N 4 +THR CA CB SING N N 5 +THR CA HA SING N N 6 +THR C O DOUB N N 7 +THR C OXT SING N N 8 +THR CB OG1 SING N N 9 +THR CB CG2 SING N N 10 +THR CB HB SING N N 11 +THR OG1 HG1 SING N N 12 +THR CG2 HG21 SING N N 13 +THR CG2 HG22 SING N N 14 +THR CG2 HG23 SING N N 15 +THR OXT HXT SING N N 16 +TRP N CA SING N N 1 +TRP N H SING N N 2 +TRP N H2 SING N N 3 +TRP CA C SING N N 4 +TRP CA CB SING N N 5 +TRP CA HA SING N N 6 +TRP C O DOUB N N 7 +TRP C OXT SING N N 8 +TRP CB CG SING N N 9 +TRP CB HB2 SING N N 10 +TRP CB HB3 SING N N 11 +TRP CG CD1 DOUB Y N 12 +TRP CG CD2 SING Y N 13 +TRP CD1 NE1 SING Y N 14 +TRP CD1 HD1 SING N N 15 +TRP CD2 CE2 DOUB Y N 16 +TRP CD2 CE3 SING Y N 17 +TRP NE1 CE2 SING Y N 18 +TRP NE1 HE1 SING N N 19 +TRP CE2 CZ2 SING Y N 20 +TRP CE3 CZ3 DOUB Y N 21 +TRP CE3 HE3 SING N N 22 +TRP CZ2 CH2 DOUB Y N 23 +TRP CZ2 HZ2 SING N N 24 +TRP CZ3 CH2 SING Y N 25 +TRP CZ3 HZ3 SING N N 26 +TRP CH2 HH2 SING N N 27 +TRP OXT HXT SING N N 28 +TYR N CA SING N N 1 +TYR N H SING N N 2 +TYR N H2 SING N N 3 +TYR CA C SING N N 4 +TYR CA CB SING N N 5 +TYR CA HA SING N N 6 +TYR C O DOUB N N 7 +TYR C OXT SING N N 8 +TYR CB CG SING N N 9 +TYR CB HB2 SING N N 10 +TYR CB HB3 SING N N 11 +TYR CG CD1 DOUB Y N 12 +TYR CG CD2 SING Y N 13 +TYR CD1 CE1 SING Y N 14 +TYR CD1 HD1 SING N N 15 +TYR CD2 CE2 DOUB Y N 16 +TYR CD2 HD2 SING N N 17 +TYR CE1 CZ DOUB Y N 18 +TYR CE1 HE1 SING N N 19 +TYR CE2 CZ SING Y N 20 +TYR CE2 HE2 SING N N 21 +TYR CZ OH SING N N 22 +TYR OH HH SING N N 23 +TYR OXT HXT SING N N 24 +VAL N CA SING N N 1 +VAL N H SING N N 2 +VAL N H2 SING N N 3 +VAL CA C SING N N 4 +VAL CA CB SING N N 5 +VAL CA HA SING N N 6 +VAL C O DOUB N N 7 +VAL C OXT SING N N 8 +VAL CB CG1 SING N N 9 +VAL CB CG2 SING N N 10 +VAL CB HB SING N N 11 +VAL CG1 HG11 SING N N 12 +VAL CG1 HG12 SING N N 13 +VAL CG1 HG13 SING N N 14 +VAL CG2 HG21 SING N N 15 +VAL CG2 HG22 SING N N 16 +VAL CG2 HG23 SING N N 17 +VAL OXT HXT SING N N 18 +# +_pdbx_sifts_unp_segments.entity_id 1 +_pdbx_sifts_unp_segments.asym_id A +_pdbx_sifts_unp_segments.unp_acc P29373 +_pdbx_sifts_unp_segments.segment_id 1 +_pdbx_sifts_unp_segments.instance_id 1 +_pdbx_sifts_unp_segments.unp_start 2 +_pdbx_sifts_unp_segments.unp_end 138 +_pdbx_sifts_unp_segments.seq_id_start 1 +_pdbx_sifts_unp_segments.seq_id_end 137 +_pdbx_sifts_unp_segments.best_mapping y +_pdbx_sifts_unp_segments.identity 1.0 +# +loop_ +_pdbx_sifts_xref_db_segments.entity_id +_pdbx_sifts_xref_db_segments.asym_id +_pdbx_sifts_xref_db_segments.xref_db +_pdbx_sifts_xref_db_segments.xref_db_acc +_pdbx_sifts_xref_db_segments.domain_name +_pdbx_sifts_xref_db_segments.segment_id +_pdbx_sifts_xref_db_segments.instance_id +_pdbx_sifts_xref_db_segments.seq_id_start +_pdbx_sifts_xref_db_segments.seq_id_end +1 A CATH 2.40.128.20 1cbsA00 1 1 1 137 +1 A SCOP2B 8041239 SF 1 1 2 137 +1 A Pfam PF00061 ? 1 1 4 137 +# +loop_ +_pdbx_sifts_xref_db.entity_id +_pdbx_sifts_xref_db.asym_id +_pdbx_sifts_xref_db.seq_id_ordinal +_pdbx_sifts_xref_db.seq_id +_pdbx_sifts_xref_db.mon_id +_pdbx_sifts_xref_db.mon_id_one_letter_code +_pdbx_sifts_xref_db.unp_res +_pdbx_sifts_xref_db.unp_num +_pdbx_sifts_xref_db.unp_acc +_pdbx_sifts_xref_db.unp_segment_id +_pdbx_sifts_xref_db.unp_instance_id +_pdbx_sifts_xref_db.res_type +_pdbx_sifts_xref_db.observed +_pdbx_sifts_xref_db.mh_id +_pdbx_sifts_xref_db.xref_db_name +_pdbx_sifts_xref_db.xref_db_acc +_pdbx_sifts_xref_db.xref_domain_name +_pdbx_sifts_xref_db.xref_db_segment_id +_pdbx_sifts_xref_db.xref_db_instance_id +1 A 1 1 PRO P P 2 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 1 2 ASN N N 3 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 2 2 ASN N N 3 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 3 PHE F F 4 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 2 3 PHE F F 4 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 4 SER S S 5 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 4 SER S S 5 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 4 SER S S 5 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 5 GLY G G 6 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 5 GLY G G 6 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 5 GLY G G 6 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 6 ASN N N 7 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 6 ASN N N 7 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 6 ASN N N 7 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 7 TRP W W 8 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 7 TRP W W 8 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 7 TRP W W 8 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 8 LYS K K 9 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 8 LYS K K 9 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 8 LYS K K 9 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 9 ILE I I 10 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 9 ILE I I 10 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 9 ILE I I 10 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 10 ILE I I 11 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 10 ILE I I 11 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 10 ILE I I 11 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 11 ARG R R 12 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 11 ARG R R 12 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 11 ARG R R 12 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 12 SER S S 13 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 12 SER S S 13 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 12 SER S S 13 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 13 GLU E E 14 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 13 GLU E E 14 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 13 GLU E E 14 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 14 ASN N N 15 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 14 ASN N N 15 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 14 ASN N N 15 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 15 PHE F F 16 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 15 PHE F F 16 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 15 PHE F F 16 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 16 GLU E E 17 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 16 GLU E E 17 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 16 GLU E E 17 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 17 GLU E E 18 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 17 GLU E E 18 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 17 GLU E E 18 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 18 LEU L L 19 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 18 LEU L L 19 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 18 LEU L L 19 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 19 LEU L L 20 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 19 LEU L L 20 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 19 LEU L L 20 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 20 LYS K K 21 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 20 LYS K K 21 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 20 LYS K K 21 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 21 VAL V V 22 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 21 VAL V V 22 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 21 VAL V V 22 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 22 LEU L L 23 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 22 LEU L L 23 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 22 LEU L L 23 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 23 GLY G G 24 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 23 GLY G G 24 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 23 GLY G G 24 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 24 VAL V V 25 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 24 VAL V V 25 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 24 VAL V V 25 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 25 ASN N N 26 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 25 ASN N N 26 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 25 ASN N N 26 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 26 VAL V V 27 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 26 VAL V V 27 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 26 VAL V V 27 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 27 MET M M 28 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 27 MET M M 28 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 27 MET M M 28 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 28 LEU L L 29 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 28 LEU L L 29 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 28 LEU L L 29 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 29 ARG R R 30 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 29 ARG R R 30 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 29 ARG R R 30 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 30 LYS K K 31 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 30 LYS K K 31 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 30 LYS K K 31 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 31 ILE I I 32 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 31 ILE I I 32 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 31 ILE I I 32 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 32 ALA A A 33 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 32 ALA A A 33 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 32 ALA A A 33 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 33 VAL V V 34 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 33 VAL V V 34 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 33 VAL V V 34 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 34 ALA A A 35 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 34 ALA A A 35 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 34 ALA A A 35 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 35 ALA A A 36 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 35 ALA A A 36 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 35 ALA A A 36 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 36 ALA A A 37 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 36 ALA A A 37 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 36 ALA A A 37 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 37 SER S S 38 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 37 SER S S 38 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 37 SER S S 38 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 38 LYS K K 39 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 38 LYS K K 39 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 38 LYS K K 39 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 39 PRO P P 40 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 39 PRO P P 40 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 39 PRO P P 40 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 40 ALA A A 41 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 40 ALA A A 41 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 40 ALA A A 41 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 41 VAL V V 42 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 41 VAL V V 42 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 41 VAL V V 42 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 42 GLU E E 43 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 42 GLU E E 43 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 42 GLU E E 43 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 43 ILE I I 44 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 43 ILE I I 44 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 43 ILE I I 44 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 44 LYS K K 45 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 44 LYS K K 45 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 44 LYS K K 45 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 45 GLN Q Q 46 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 45 GLN Q Q 46 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 45 GLN Q Q 46 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 46 GLU E E 47 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 46 GLU E E 47 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 46 GLU E E 47 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 47 GLY G G 48 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 47 GLY G G 48 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 47 GLY G G 48 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 48 ASP D D 49 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 48 ASP D D 49 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 48 ASP D D 49 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 49 THR T T 50 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 49 THR T T 50 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 49 THR T T 50 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 50 PHE F F 51 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 50 PHE F F 51 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 50 PHE F F 51 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 51 TYR Y Y 52 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 51 TYR Y Y 52 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 51 TYR Y Y 52 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 52 ILE I I 53 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 52 ILE I I 53 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 52 ILE I I 53 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 53 LYS K K 54 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 53 LYS K K 54 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 53 LYS K K 54 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 54 THR T T 55 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 54 THR T T 55 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 54 THR T T 55 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 55 SER S S 56 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 55 SER S S 56 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 55 SER S S 56 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 56 THR T T 57 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 56 THR T T 57 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 56 THR T T 57 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 57 THR T T 58 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 57 THR T T 58 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 57 THR T T 58 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 58 VAL V V 59 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 58 VAL V V 59 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 58 VAL V V 59 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 59 ARG R R 60 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 59 ARG R R 60 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 59 ARG R R 60 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 60 THR T T 61 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 60 THR T T 61 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 60 THR T T 61 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 61 THR T T 62 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 61 THR T T 62 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 61 THR T T 62 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 62 GLU E E 63 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 62 GLU E E 63 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 62 GLU E E 63 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 63 ILE I I 64 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 63 ILE I I 64 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 63 ILE I I 64 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 64 ASN N N 65 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 64 ASN N N 65 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 64 ASN N N 65 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 65 PHE F F 66 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 65 PHE F F 66 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 65 PHE F F 66 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 66 LYS K K 67 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 66 LYS K K 67 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 66 LYS K K 67 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 67 VAL V V 68 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 67 VAL V V 68 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 67 VAL V V 68 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 68 GLY G G 69 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 68 GLY G G 69 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 68 GLY G G 69 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 69 GLU E E 70 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 69 GLU E E 70 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 69 GLU E E 70 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 70 GLU E E 71 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 70 GLU E E 71 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 70 GLU E E 71 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 71 PHE F F 72 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 71 PHE F F 72 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 71 PHE F F 72 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 72 GLU E E 73 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 72 GLU E E 73 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 72 GLU E E 73 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 73 GLU E E 74 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 73 GLU E E 74 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 73 GLU E E 74 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 74 GLN Q Q 75 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 74 GLN Q Q 75 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 74 GLN Q Q 75 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 75 THR T T 76 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 75 THR T T 76 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 75 THR T T 76 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 76 VAL V V 77 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 76 VAL V V 77 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 76 VAL V V 77 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 77 ASP D D 78 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 77 ASP D D 78 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 77 ASP D D 78 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 78 GLY G G 79 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 78 GLY G G 79 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 78 GLY G G 79 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 79 ARG R R 80 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 79 ARG R R 80 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 79 ARG R R 80 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 80 PRO P P 81 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 80 PRO P P 81 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 80 PRO P P 81 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 81 CYS C C 82 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 81 CYS C C 82 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 81 CYS C C 82 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 82 LYS K K 83 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 82 LYS K K 83 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 82 LYS K K 83 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 83 SER S S 84 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 83 SER S S 84 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 83 SER S S 84 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 84 LEU L L 85 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 84 LEU L L 85 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 84 LEU L L 85 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 85 VAL V V 86 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 85 VAL V V 86 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 85 VAL V V 86 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 86 LYS K K 87 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 86 LYS K K 87 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 86 LYS K K 87 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 87 TRP W W 88 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 87 TRP W W 88 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 87 TRP W W 88 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 88 GLU E E 89 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 88 GLU E E 89 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 88 GLU E E 89 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 89 SER S S 90 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 89 SER S S 90 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 89 SER S S 90 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 90 GLU E E 91 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 90 GLU E E 91 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 90 GLU E E 91 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 91 ASN N N 92 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 91 ASN N N 92 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 91 ASN N N 92 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 92 LYS K K 93 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 92 LYS K K 93 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 92 LYS K K 93 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 93 MET M M 94 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 93 MET M M 94 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 93 MET M M 94 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 94 VAL V V 95 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 94 VAL V V 95 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 94 VAL V V 95 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 95 CYS C C 96 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 95 CYS C C 96 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 95 CYS C C 96 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 96 GLU E E 97 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 96 GLU E E 97 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 96 GLU E E 97 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 97 GLN Q Q 98 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 97 GLN Q Q 98 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 97 GLN Q Q 98 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 98 LYS K K 99 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 98 LYS K K 99 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 98 LYS K K 99 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 99 LEU L L 100 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 99 LEU L L 100 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 99 LEU L L 100 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 100 LEU L L 101 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 100 LEU L L 101 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 100 LEU L L 101 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 101 LYS K K 102 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 101 LYS K K 102 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 101 LYS K K 102 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 102 GLY G G 103 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 102 GLY G G 103 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 102 GLY G G 103 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 103 GLU E E 104 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 103 GLU E E 104 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 103 GLU E E 104 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 104 GLY G G 105 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 104 GLY G G 105 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 104 GLY G G 105 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 105 PRO P P 106 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 105 PRO P P 106 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 105 PRO P P 106 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 106 LYS K K 107 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 106 LYS K K 107 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 106 LYS K K 107 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 107 THR T T 108 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 107 THR T T 108 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 107 THR T T 108 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 108 SER S S 109 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 108 SER S S 109 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 108 SER S S 109 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 109 TRP W W 110 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 109 TRP W W 110 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 109 TRP W W 110 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 110 THR T T 111 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 110 THR T T 111 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 110 THR T T 111 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 111 ARG R R 112 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 111 ARG R R 112 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 111 ARG R R 112 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 112 GLU E E 113 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 112 GLU E E 113 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 112 GLU E E 113 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 113 LEU L L 114 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 113 LEU L L 114 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 113 LEU L L 114 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 114 THR T T 115 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 114 THR T T 115 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 114 THR T T 115 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 115 ASN N N 116 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 115 ASN N N 116 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 115 ASN N N 116 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 116 ASP D D 117 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 116 ASP D D 117 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 116 ASP D D 117 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 117 GLY G G 118 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 117 GLY G G 118 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 117 GLY G G 118 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 118 GLU E E 119 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 118 GLU E E 119 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 118 GLU E E 119 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 119 LEU L L 120 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 119 LEU L L 120 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 119 LEU L L 120 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 120 ILE I I 121 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 120 ILE I I 121 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 120 ILE I I 121 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 121 LEU L L 122 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 121 LEU L L 122 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 121 LEU L L 122 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 122 THR T T 123 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 122 THR T T 123 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 122 THR T T 123 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 123 MET M M 124 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 123 MET M M 124 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 123 MET M M 124 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 124 THR T T 125 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 124 THR T T 125 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 124 THR T T 125 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 125 ALA A A 126 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 125 ALA A A 126 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 125 ALA A A 126 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 126 ASP D D 127 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 126 ASP D D 127 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 126 ASP D D 127 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 127 ASP D D 128 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 127 ASP D D 128 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 127 ASP D D 128 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 128 VAL V V 129 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 128 VAL V V 129 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 128 VAL V V 129 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 129 VAL V V 130 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 129 VAL V V 130 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 129 VAL V V 130 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 130 CYS C C 131 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 130 CYS C C 131 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 130 CYS C C 131 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 131 THR T T 132 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 131 THR T T 132 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 131 THR T T 132 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 132 ARG R R 133 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 132 ARG R R 133 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 132 ARG R R 133 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 133 VAL V V 134 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 133 VAL V V 134 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 133 VAL V V 134 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 134 TYR Y Y 135 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 134 TYR Y Y 135 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 134 TYR Y Y 135 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 135 VAL V V 136 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 135 VAL V V 136 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 135 VAL V V 136 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 136 ARG R R 137 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 136 ARG R R 137 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 136 ARG R R 137 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +1 A 1 137 GLU E E 138 P29373 1 1 ? y 1 Pfam PF00061 ? 1 1 +1 A 2 137 GLU E E 138 P29373 1 1 ? y 1 CATH 2.40.128.20 1cbsA00 1 1 +1 A 3 137 GLU E E 138 P29373 1 1 ? y 1 SCOP2 8041239 SCOP2B-SF 1 1 +# \ No newline at end of file diff --git a/tests/mol-spec-data/1cbs/rainbow.json b/tests/mol-spec-data/1cbs/rainbow.json new file mode 100644 index 0000000..53f769c --- /dev/null +++ b/tests/mol-spec-data/1cbs/rainbow.json @@ -0,0 +1,62 @@ +[ + { + "label_asym_id": "A", + "beg_label_seq_id": 1, + "end_label_seq_id": 13, + "color": "#FF0000", + "tooltip": "red" + }, + { + "label_asym_id": "A", + "beg_label_seq_id": 40, + "end_label_seq_id": 51, + "color": "#FF8800", + "tooltip": "orange" + }, + { + "label_asym_id": "A", + "label_seq_id": 52, + "color": "#FFFF00", + "tooltip": "yellow" + }, + { + "label_asym_id": "A", + "beg_label_seq_id": 53, + "end_label_seq_id": 70, + "color": "#00ff00", + "tooltip": "green" + }, + { + "label_asym_id": "A", + "beg_label_seq_id": 71, + "end_label_seq_id": 90, + "color": "#00ffff", + "tooltip": "cyan" + }, + { + "label_asym_id": "A", + "beg_label_seq_id": 91, + "end_label_seq_id": 110, + "color": "#0088ff", + "tooltip": "blue" + }, + { + "label_asym_id": "A", + "beg_label_seq_id": 111, + "end_label_seq_id": 137, + "color": "#6600dd", + "tooltip": "violet" + }, + { + "label_asym_id": "A", + "beg_label_seq_id": 95, + "end_label_seq_id": 95, + "color": "#000000", + "tooltip": "black" + }, + { + "label_asym_id": "B", + "color": "#FF00FF", + "tooltip": "ligand" + } +] \ No newline at end of file diff --git a/tests/mol-spec-data/1cbs/validation.json b/tests/mol-spec-data/1cbs/validation.json new file mode 100644 index 0000000..66517bd --- /dev/null +++ b/tests/mol-spec-data/1cbs/validation.json @@ -0,0 +1 @@ +[{"label_seq_id":1,"label_asym_id":"A","color":"#ffff00","tooltip":"clashes"},{"label_seq_id":14,"label_asym_id":"A","color":"#ffff00","tooltip":"sidechain_outliers"},{"label_seq_id":27,"label_asym_id":"A","color":"#ffff00","tooltip":"sidechain_outliers"},{"label_seq_id":29,"label_asym_id":"A","color":"#ffff00","tooltip":"clashes"},{"label_seq_id":76,"label_asym_id":"A","color":"#ffff00","tooltip":"clashes"},{"label_seq_id":82,"label_asym_id":"A","color":"#ffff00","tooltip":"clashes"},{"label_seq_id":83,"label_asym_id":"A","color":"#ffff00","tooltip":"clashes"},{"label_seq_id":94,"label_asym_id":"A","color":"#ffff00","tooltip":"clashes"},{"label_seq_id":95,"label_asym_id":"A","color":"#ffff00","tooltip":"clashes"},{"label_seq_id":100,"label_asym_id":"A","color":"#ffff00","tooltip":"clashes"},{"label_seq_id":110,"label_asym_id":"A","color":"#ffff00","tooltip":"clashes"},{"label_seq_id":113,"label_asym_id":"A","color":"#ffff00","tooltip":"clashes"},{"label_seq_id":127,"label_asym_id":"A","color":"#ffff00","tooltip":"sidechain_outliers"}] \ No newline at end of file diff --git a/tests/mol-spec-data/1cbs_2nnj_1tqn.cif b/tests/mol-spec-data/1cbs_2nnj_1tqn.cif new file mode 100644 index 0000000..9f17905 --- /dev/null +++ b/tests/mol-spec-data/1cbs_2nnj_1tqn.cif @@ -0,0 +1,14643 @@ +data_1CBS +# +_entry.id 1CBS +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.279 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +PDB 1CBS +WWPDB D_1000172215 +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 1CBS +_pdbx_database_status.recvd_initial_deposition_date 1994-09-28 +_pdbx_database_status.deposit_site ? +_pdbx_database_status.process_site ? +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.SG_entry ? +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_cs ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Kleywegt, G.J.' 1 +'Bergfors, T.' 2 +'Jones, T.A.' 3 +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.journal_id_ASTM +_citation.country +_citation.journal_id_ISSN +_citation.journal_id_CSD +_citation.book_publisher +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary +;Crystal structures of cellular retinoic acid binding proteins I and II in complex with all-trans-retinoic acid and a synthetic retinoid. +; +Structure 2 1241 1258 1994 STRUE6 UK 0969-2126 2005 ? 7704533 '10.1016/S0969-2126(94)00125-1' +1 'Lipid-Binding Proteins: A Family of Fatty Acid and Retinoid Transport Proteins' 'Adv.Protein Chem.' 45 89 ? +1994 APCHA2 US 0065-3233 0433 ? ? ? +2 'Crystallisation and Preliminary X-Ray Analysis of Recombinant Bovine Cellular Retinoic Acid-Binding Protein' +'Acta Crystallogr.,Sect.D' 50 370 ? 1994 ABCRE6 DK 0907-4449 0766 ? ? ? +3 +;Crystallographic Studies on a Family of Lipophilic Transport Proteins. Refinement of P2 Myelin Protein and the Structure Determination and Refinement of Cellular Retinol-Binding Protein in Complex with All-Trans-Retinol +; +J.Mol.Biol. 230 1225 ? 1993 JMOBAK UK 0022-2836 0070 ? ? ? +4 'The Three-Dimensional Structure of P2 Myelin Protein' 'Embo J.' 7 1597 ? 1988 EMJODG UK 0261-4189 +0897 ? ? ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Kleywegt, G.J.' 1 +primary 'Bergfors, T.' 2 +primary 'Senn, H.' 3 +primary 'Le Motte, P.' 4 +primary 'Gsell, B.' 5 +primary 'Shudo, K.' 6 +primary 'Jones, T.A.' 7 +1 'Banaszak, L.' 8 +1 'Winter, N.' 9 +1 'Xu, Z.' 10 +1 'Bernlohr, D.A.' 11 +1 'Cowan, S.W.' 12 +1 'Jones, T.A.' 13 +2 'Bergfors, T.' 14 +2 'Kleywegt, G.J.' 15 +2 'Jones, T.A.' 16 +3 'Cowan, S.W.' 17 +3 'Newcomer, M.E.' 18 +3 'Jones, T.A.' 19 +4 'Jones, T.A.' 20 +4 'Bergfors, T.' 21 +4 'Sedzik, J.' 22 +4 'Unge, T.' 23 +# +_cell.entry_id 1CBS +_cell.length_a 45.650 +_cell.length_b 47.560 +_cell.length_c 77.610 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 90.00 +_cell.Z_PDB 4 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1CBS +_symmetry.space_group_name_H-M 'P 21 21 21' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 19 +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer man 'CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II' 15581.802 1 ? ? ? ? +2 non-polymer syn 'RETINOIC ACID' 300.435 1 ? ? ? ? +3 water nat water 18.015 100 ? ? ? ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code +;PNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRP +CKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE +; +_entity_poly.pdbx_seq_one_letter_code_can +;PNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRP +CKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE +; +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 PRO n +1 2 ASN n +1 3 PHE n +1 4 SER n +1 5 GLY n +1 6 ASN n +1 7 TRP n +1 8 LYS n +1 9 ILE n +1 10 ILE n +1 11 ARG n +1 12 SER n +1 13 GLU n +1 14 ASN n +1 15 PHE n +1 16 GLU n +1 17 GLU n +1 18 LEU n +1 19 LEU n +1 20 LYS n +1 21 VAL n +1 22 LEU n +1 23 GLY n +1 24 VAL n +1 25 ASN n +1 26 VAL n +1 27 MET n +1 28 LEU n +1 29 ARG n +1 30 LYS n +1 31 ILE n +1 32 ALA n +1 33 VAL n +1 34 ALA n +1 35 ALA n +1 36 ALA n +1 37 SER n +1 38 LYS n +1 39 PRO n +1 40 ALA n +1 41 VAL n +1 42 GLU n +1 43 ILE n +1 44 LYS n +1 45 GLN n +1 46 GLU n +1 47 GLY n +1 48 ASP n +1 49 THR n +1 50 PHE n +1 51 TYR n +1 52 ILE n +1 53 LYS n +1 54 THR n +1 55 SER n +1 56 THR n +1 57 THR n +1 58 VAL n +1 59 ARG n +1 60 THR n +1 61 THR n +1 62 GLU n +1 63 ILE n +1 64 ASN n +1 65 PHE n +1 66 LYS n +1 67 VAL n +1 68 GLY n +1 69 GLU n +1 70 GLU n +1 71 PHE n +1 72 GLU n +1 73 GLU n +1 74 GLN n +1 75 THR n +1 76 VAL n +1 77 ASP n +1 78 GLY n +1 79 ARG n +1 80 PRO n +1 81 CYS n +1 82 LYS n +1 83 SER n +1 84 LEU n +1 85 VAL n +1 86 LYS n +1 87 TRP n +1 88 GLU n +1 89 SER n +1 90 GLU n +1 91 ASN n +1 92 LYS n +1 93 MET n +1 94 VAL n +1 95 CYS n +1 96 GLU n +1 97 GLN n +1 98 LYS n +1 99 LEU n +1 100 LEU n +1 101 LYS n +1 102 GLY n +1 103 GLU n +1 104 GLY n +1 105 PRO n +1 106 LYS n +1 107 THR n +1 108 SER n +1 109 TRP n +1 110 THR n +1 111 ARG n +1 112 GLU n +1 113 LEU n +1 114 THR n +1 115 ASN n +1 116 ASP n +1 117 GLY n +1 118 GLU n +1 119 LEU n +1 120 ILE n +1 121 LEU n +1 122 THR n +1 123 MET n +1 124 THR n +1 125 ALA n +1 126 ASP n +1 127 ASP n +1 128 VAL n +1 129 VAL n +1 130 CYS n +1 131 THR n +1 132 ARG n +1 133 VAL n +1 134 TYR n +1 135 VAL n +1 136 ARG n +1 137 GLU n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_alt_source_flag sample +_entity_src_gen.pdbx_seq_type ? +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? +_entity_src_gen.gene_src_common_name human +_entity_src_gen.gene_src_genus Homo +_entity_src_gen.pdbx_gene_src_gene 'HUMAN CRABP-II' +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain ? +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 +_entity_src_gen.pdbx_gene_src_variant ? +_entity_src_gen.pdbx_gene_src_cell_line BL21 +_entity_src_gen.pdbx_gene_src_atcc ? +_entity_src_gen.pdbx_gene_src_organ ? +_entity_src_gen.pdbx_gene_src_organelle ? +_entity_src_gen.pdbx_gene_src_cell ? +_entity_src_gen.pdbx_gene_src_cellular_location ? +_entity_src_gen.host_org_common_name ? +_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli BL21(DE3)' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008 +_entity_src_gen.host_org_genus Escherichia +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species 'Escherichia coli' +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain 'BL21 (DE3)' +_entity_src_gen.pdbx_host_org_variant ? +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type ? +_entity_src_gen.pdbx_host_org_vector ? +_entity_src_gen.host_org_details ? +_entity_src_gen.expression_system_id ? +_entity_src_gen.plasmid_name PET-3A +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code RABP2_HUMAN +_struct_ref.entity_id 1 +_struct_ref.pdbx_db_accession P29373 +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_seq_one_letter_code +;PNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRP +CKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE +; +_struct_ref.pdbx_db_isoform ? +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1CBS +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 137 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession P29373 +_struct_ref_seq.db_align_beg 1 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 137 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 137 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HOH non-polymer . WATER ? 'H2 O' 18.015 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +REA non-polymer . 'RETINOIC ACID' ? 'C20 H28 O2' 300.435 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +# +_exptl.entry_id 1CBS +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number ? +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 2.70 +_exptl_crystal.density_percent_sol 54.49 +_exptl_crystal.description ? +# +_diffrn.id 1 +_diffrn.ambient_temp ? +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l ? +_diffrn_radiation.monochromator ? +_diffrn_radiation.pdbx_diffrn_protocol ? +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength . +_diffrn_radiation_wavelength.wt 1.0 +# +_reflns.entry_id 1CBS +_reflns.observed_criterion_sigma_I 3. +_reflns.observed_criterion_sigma_F ? +_reflns.d_resolution_low ? +_reflns.d_resolution_high ? +_reflns.number_obs 14678 +_reflns.number_all ? +_reflns.percent_possible_obs 90.3 +_reflns.pdbx_Rmerge_I_obs ? +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI ? +_reflns.B_iso_Wilson_estimate ? +_reflns.pdbx_redundancy ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +# +_refine.entry_id 1CBS +_refine.ls_number_reflns_obs 14312 +_refine.ls_number_reflns_all ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 2. +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_d_res_low 8.0 +_refine.ls_d_res_high 1.8 +_refine.ls_percent_reflns_obs 90.3 +_refine.ls_R_factor_obs 0.2000000 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_R_work 0.2000000 +_refine.ls_R_factor_R_free 0.2370000 +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_number_reflns_R_free ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.B_iso_mean 16.6 +_refine.aniso_B[1][1] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[3][3] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][3] ? +_refine.solvent_model_details ? +_refine.solvent_model_param_ksol ? +_refine.solvent_model_param_bsol ? +_refine.pdbx_ls_cross_valid_method ? +_refine.details ? +_refine.pdbx_starting_model ? +_refine.pdbx_method_to_determine_struct ? +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.overall_SU_ML ? +_refine.overall_SU_B ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.pdbx_overall_phase_error ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_analyze.entry_id 1CBS +_refine_analyze.Luzzati_coordinate_error_obs 0.2 +_refine_analyze.Luzzati_sigma_a_obs ? +_refine_analyze.Luzzati_d_res_low_obs ? +_refine_analyze.Luzzati_coordinate_error_free ? +_refine_analyze.Luzzati_sigma_a_free ? +_refine_analyze.Luzzati_d_res_low_free ? +_refine_analyze.number_disordered_residues ? +_refine_analyze.occupancy_sum_hydrogen ? +_refine_analyze.occupancy_sum_non_hydrogen ? +_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 1091 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 22 +_refine_hist.number_atoms_solvent 100 +_refine_hist.number_atoms_total 1213 +_refine_hist.d_res_high 1.8 +_refine_hist.d_res_low 8.0 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +x_bond_d 0.010 ? ? ? 'X-RAY DIFFRACTION' ? +x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_deg 1.51 ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_dihedral_angle_d 27.4 ? ? ? 'X-RAY DIFFRACTION' ? +x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_improper_angle_d 1.32 ? ? ? 'X-RAY DIFFRACTION' ? +x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? +x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? +x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? +x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? +# +_struct.entry_id 1CBS +_struct.title +;CRYSTAL STRUCTURE OF CELLULAR RETINOIC-ACID-BINDING PROTEINS I AND II IN COMPLEX WITH ALL-TRANS-RETINOIC ACID AND A SYNTHETIC RETINOID +; +_struct.pdbx_descriptor +'CELLULAR RETINOIC-ACID-BINDING PROTEIN TYPE II COMPLEXED WITH ALL-TRANS-RETINOIC ACID (THE PRESUMED PHYSIOLOGICAL LIGAND)' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1CBS +_struct_keywords.pdbx_keywords 'RETINOIC-ACID TRANSPORT' +_struct_keywords.text 'RETINOIC-ACID TRANSPORT' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 3 ? +# +_struct_biol.id 1 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 1 ASN A 14 ? LEU A 22 ? ASN A 14 LEU A 22 1 ? 9 +HELX_P HELX_P2 2 ASN A 25 ? SER A 37 ? ASN A 25 SER A 37 1 ? 13 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +_struct_sheet.id A +_struct_sheet.type ? +_struct_sheet.number_strands 10 +_struct_sheet.details ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 ? anti-parallel +A 2 3 ? anti-parallel +A 3 4 ? anti-parallel +A 4 5 ? anti-parallel +A 5 6 ? anti-parallel +A 6 7 ? anti-parallel +A 7 8 ? anti-parallel +A 8 9 ? anti-parallel +A 9 10 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +A 1 THR A 60 ? LYS A 66 ? THR A 60 LYS A 66 +A 2 THR A 49 ? SER A 55 ? THR A 49 SER A 55 +A 3 ALA A 40 ? GLU A 46 ? ALA A 40 GLU A 46 +A 4 GLY A 5 ? GLU A 13 ? GLY A 5 GLU A 13 +A 5 VAL A 128 ? ARG A 136 ? VAL A 128 ARG A 136 +A 6 LEU A 119 ? ALA A 125 ? LEU A 119 ALA A 125 +A 7 THR A 107 ? LEU A 113 ? THR A 107 LEU A 113 +A 8 LYS A 92 ? LEU A 99 ? LYS A 92 LEU A 99 +A 9 PRO A 80 ? SER A 89 ? PRO A 80 SER A 89 +A 10 PHE A 71 ? GLN A 74 ? PHE A 71 GLN A 74 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 O PHE A 65 ? O PHE A 65 N PHE A 50 ? N PHE A 50 +A 2 3 N SER A 55 ? N SER A 55 O ALA A 40 ? O ALA A 40 +A 3 4 N ILE A 43 ? N ILE A 43 O GLY A 5 ? O GLY A 5 +A 4 5 N GLU A 13 ? N GLU A 13 O THR A 131 ? O THR A 131 +A 5 6 N TYR A 134 ? N TYR A 134 O LEU A 119 ? O LEU A 119 +A 6 7 N THR A 124 ? N THR A 124 O SER A 108 ? O SER A 108 +A 7 8 O ARG A 111 ? O ARG A 111 N MET A 93 ? N MET A 93 +A 8 9 O LYS A 98 ? O LYS A 98 N LYS A 82 ? N LYS A 82 +A 9 10 N SER A 83 ? N SER A 83 O PHE A 71 ? O PHE A 71 +# +_struct_site.id AC1 +_struct_site.pdbx_evidence_code Software +_struct_site.pdbx_auth_asym_id ? +_struct_site.pdbx_auth_comp_id ? +_struct_site.pdbx_auth_seq_id ? +_struct_site.pdbx_auth_ins_code ? +_struct_site.pdbx_num_residues 10 +_struct_site.details 'BINDING SITE FOR RESIDUE REA A 200' +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 10 GLU A 13 ? GLU A 13 . ? 3_655 ? +2 AC1 10 ALA A 32 ? ALA A 32 . ? 1_555 ? +3 AC1 10 THR A 54 ? THR A 54 . ? 1_555 ? +4 AC1 10 VAL A 58 ? VAL A 58 . ? 1_555 ? +5 AC1 10 VAL A 76 ? VAL A 76 . ? 1_555 ? +6 AC1 10 LEU A 121 ? LEU A 121 . ? 1_555 ? +7 AC1 10 ARG A 132 ? ARG A 132 . ? 1_555 ? +8 AC1 10 TYR A 134 ? TYR A 134 . ? 1_555 ? +9 AC1 10 HOH C . ? HOH A 309 . ? 1_555 ? +10 AC1 10 HOH C . ? HOH A 343 . ? 1_555 ? +# +_database_PDB_matrix.entry_id 1CBS +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_atom_sites.entry_id 1CBS +_atom_sites.fract_transf_matrix[1][1] 0.021906 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.021026 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.012885 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +N +O +S +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . PRO A 1 1 ? 16.979 13.301 44.555 1.00 30.05 ? 1 PRO A N 1 +ATOM 2 C CA . PRO A 1 1 ? 18.150 13.525 43.680 1.00 28.82 ? 1 PRO A CA 1 +ATOM 3 C C . PRO A 1 1 ? 18.656 14.966 43.784 1.00 26.59 ? 1 PRO A C 1 +ATOM 4 O O . PRO A 1 1 ? 17.890 15.889 44.078 1.00 26.84 ? 1 PRO A O 1 +ATOM 5 C CB . PRO A 1 1 ? 17.678 13.270 42.255 1.00 29.24 ? 1 PRO A CB 1 +ATOM 6 C CG . PRO A 1 1 ? 16.248 13.734 42.347 1.00 29.29 ? 1 PRO A CG 1 +ATOM 7 C CD . PRO A 1 1 ? 15.762 13.216 43.724 1.00 30.71 ? 1 PRO A CD 1 +ATOM 8 N N . ASN A 1 2 ? 19.957 15.139 43.558 1.00 24.04 ? 2 ASN A N 1 +ATOM 9 C CA . ASN A 1 2 ? 20.576 16.457 43.578 1.00 20.79 ? 2 ASN A CA 1 +ATOM 10 C C . ASN A 1 2 ? 21.301 16.714 42.262 1.00 16.75 ? 2 ASN A C 1 +ATOM 11 O O . ASN A 1 2 ? 22.402 16.215 42.028 1.00 15.23 ? 2 ASN A O 1 +ATOM 12 C CB . ASN A 1 2 ? 21.559 16.620 44.724 1.00 22.81 ? 2 ASN A CB 1 +ATOM 13 C CG . ASN A 1 2 ? 22.240 17.968 44.685 1.00 24.29 ? 2 ASN A CG 1 +ATOM 14 O OD1 . ASN A 1 2 ? 21.612 18.984 44.358 1.00 21.87 ? 2 ASN A OD1 1 +ATOM 15 N ND2 . ASN A 1 2 ? 23.537 17.983 44.966 1.00 27.94 ? 2 ASN A ND2 1 +ATOM 16 N N . PHE A 1 3 ? 20.637 17.477 41.402 1.00 14.69 ? 3 PHE A N 1 +ATOM 17 C CA . PHE A 1 3 ? 21.144 17.838 40.087 1.00 12.62 ? 3 PHE A CA 1 +ATOM 18 C C . PHE A 1 3 ? 22.152 18.987 40.140 1.00 12.43 ? 3 PHE A C 1 +ATOM 19 O O . PHE A 1 3 ? 22.796 19.289 39.136 1.00 12.12 ? 3 PHE A O 1 +ATOM 20 C CB . PHE A 1 3 ? 19.970 18.262 39.188 1.00 10.74 ? 3 PHE A CB 1 +ATOM 21 C CG . PHE A 1 3 ? 19.073 17.128 38.750 1.00 11.85 ? 3 PHE A CG 1 +ATOM 22 C CD1 . PHE A 1 3 ? 18.066 16.646 39.581 1.00 10.90 ? 3 PHE A CD1 1 +ATOM 23 C CD2 . PHE A 1 3 ? 19.189 16.588 37.475 1.00 13.26 ? 3 PHE A CD2 1 +ATOM 24 C CE1 . PHE A 1 3 ? 17.200 15.662 39.149 1.00 9.12 ? 3 PHE A CE1 1 +ATOM 25 C CE2 . PHE A 1 3 ? 18.312 15.594 37.041 1.00 11.76 ? 3 PHE A CE2 1 +ATOM 26 C CZ . PHE A 1 3 ? 17.324 15.137 37.878 1.00 10.30 ? 3 PHE A CZ 1 +ATOM 27 N N . SER A 1 4 ? 22.282 19.630 41.299 1.00 11.24 ? 4 SER A N 1 +ATOM 28 C CA . SER A 1 4 ? 23.170 20.780 41.464 1.00 11.30 ? 4 SER A CA 1 +ATOM 29 C C . SER A 1 4 ? 24.627 20.568 41.091 1.00 10.39 ? 4 SER A C 1 +ATOM 30 O O . SER A 1 4 ? 25.201 19.532 41.384 1.00 10.24 ? 4 SER A O 1 +ATOM 31 C CB . SER A 1 4 ? 23.112 21.301 42.906 1.00 13.53 ? 4 SER A CB 1 +ATOM 32 O OG . SER A 1 4 ? 21.821 21.787 43.240 1.00 16.76 ? 4 SER A OG 1 +ATOM 33 N N . GLY A 1 5 ? 25.224 21.572 40.460 1.00 9.87 ? 5 GLY A N 1 +ATOM 34 C CA . GLY A 1 5 ? 26.628 21.486 40.103 1.00 10.86 ? 5 GLY A CA 1 +ATOM 35 C C . GLY A 1 5 ? 26.985 22.158 38.794 1.00 11.21 ? 5 GLY A C 1 +ATOM 36 O O . GLY A 1 5 ? 26.123 22.761 38.142 1.00 9.91 ? 5 GLY A O 1 +ATOM 37 N N . ASN A 1 6 ? 28.277 22.142 38.475 1.00 10.41 ? 6 ASN A N 1 +ATOM 38 C CA . ASN A 1 6 ? 28.796 22.676 37.211 1.00 11.06 ? 6 ASN A CA 1 +ATOM 39 C C . ASN A 1 6 ? 29.117 21.435 36.378 1.00 10.33 ? 6 ASN A C 1 +ATOM 40 O O . ASN A 1 6 ? 29.947 20.603 36.754 1.00 11.28 ? 6 ASN A O 1 +ATOM 41 C CB . ASN A 1 6 ? 30.023 23.548 37.445 1.00 12.95 ? 6 ASN A CB 1 +ATOM 42 C CG . ASN A 1 6 ? 29.675 24.816 38.200 1.00 18.08 ? 6 ASN A CG 1 +ATOM 43 O OD1 . ASN A 1 6 ? 29.022 25.708 37.665 1.00 19.52 ? 6 ASN A OD1 1 +ATOM 44 N ND2 . ASN A 1 6 ? 30.047 24.872 39.467 1.00 21.23 ? 6 ASN A ND2 1 +ATOM 45 N N . TRP A 1 7 ? 28.399 21.289 35.272 1.00 8.66 ? 7 TRP A N 1 +ATOM 46 C CA . TRP A 1 7 ? 28.518 20.119 34.424 1.00 8.74 ? 7 TRP A CA 1 +ATOM 47 C C . TRP A 1 7 ? 29.246 20.352 33.092 1.00 9.63 ? 7 TRP A C 1 +ATOM 48 O O . TRP A 1 7 ? 29.064 21.389 32.440 1.00 9.45 ? 7 TRP A O 1 +ATOM 49 C CB . TRP A 1 7 ? 27.115 19.563 34.152 1.00 8.00 ? 7 TRP A CB 1 +ATOM 50 C CG . TRP A 1 7 ? 26.325 19.198 35.391 1.00 8.01 ? 7 TRP A CG 1 +ATOM 51 C CD1 . TRP A 1 7 ? 25.556 20.031 36.159 1.00 8.29 ? 7 TRP A CD1 1 +ATOM 52 C CD2 . TRP A 1 7 ? 26.174 17.885 35.947 1.00 7.60 ? 7 TRP A CD2 1 +ATOM 53 N NE1 . TRP A 1 7 ? 24.922 19.308 37.156 1.00 9.20 ? 7 TRP A NE1 1 +ATOM 54 C CE2 . TRP A 1 7 ? 25.286 17.987 37.046 1.00 8.73 ? 7 TRP A CE2 1 +ATOM 55 C CE3 . TRP A 1 7 ? 26.694 16.625 35.618 1.00 6.99 ? 7 TRP A CE3 1 +ATOM 56 C CZ2 . TRP A 1 7 ? 24.909 16.876 37.815 1.00 7.67 ? 7 TRP A CZ2 1 +ATOM 57 C CZ3 . TRP A 1 7 ? 26.320 15.527 36.380 1.00 7.58 ? 7 TRP A CZ3 1 +ATOM 58 C CH2 . TRP A 1 7 ? 25.433 15.663 37.468 1.00 5.92 ? 7 TRP A CH2 1 +ATOM 59 N N . LYS A 1 8 ? 30.052 19.368 32.702 1.00 9.39 ? 8 LYS A N 1 +ATOM 60 C CA . LYS A 1 8 ? 30.802 19.424 31.450 1.00 11.56 ? 8 LYS A CA 1 +ATOM 61 C C . LYS A 1 8 ? 30.342 18.243 30.611 1.00 10.56 ? 8 LYS A C 1 +ATOM 62 O O . LYS A 1 8 ? 30.091 17.158 31.138 1.00 10.14 ? 8 LYS A O 1 +ATOM 63 C CB . LYS A 1 8 ? 32.308 19.360 31.710 1.00 15.20 ? 8 LYS A CB 1 +ATOM 64 C CG . LYS A 1 8 ? 32.785 18.080 32.313 1.00 18.52 ? 8 LYS A CG 1 +ATOM 65 C CD . LYS A 1 8 ? 34.263 18.182 32.618 1.00 26.26 ? 8 LYS A CD 1 +ATOM 66 C CE . LYS A 1 8 ? 35.091 18.499 31.378 1.00 29.22 ? 8 LYS A CE 1 +ATOM 67 N NZ . LYS A 1 8 ? 35.067 17.393 30.369 1.00 32.48 ? 8 LYS A NZ 1 +ATOM 68 N N . ILE A 1 9 ? 30.222 18.447 29.308 1.00 8.21 ? 9 ILE A N 1 +ATOM 69 C CA . ILE A 1 9 ? 29.739 17.384 28.441 1.00 8.08 ? 9 ILE A CA 1 +ATOM 70 C C . ILE A 1 9 ? 30.798 16.325 28.117 1.00 7.86 ? 9 ILE A C 1 +ATOM 71 O O . ILE A 1 9 ? 31.990 16.635 28.028 1.00 8.38 ? 9 ILE A O 1 +ATOM 72 C CB . ILE A 1 9 ? 29.148 17.997 27.144 1.00 10.70 ? 9 ILE A CB 1 +ATOM 73 C CG1 . ILE A 1 9 ? 28.285 16.981 26.401 1.00 10.95 ? 9 ILE A CG1 1 +ATOM 74 C CG2 . ILE A 1 9 ? 30.261 18.500 26.243 1.00 10.70 ? 9 ILE A CG2 1 +ATOM 75 C CD1 . ILE A 1 9 ? 27.586 17.597 25.207 1.00 13.23 ? 9 ILE A CD1 1 +ATOM 76 N N . ILE A 1 10 ? 30.373 15.067 27.995 1.00 7.08 ? 10 ILE A N 1 +ATOM 77 C CA . ILE A 1 10 ? 31.288 13.988 27.656 1.00 7.45 ? 10 ILE A CA 1 +ATOM 78 C C . ILE A 1 10 ? 30.812 13.201 26.441 1.00 8.49 ? 10 ILE A C 1 +ATOM 79 O O . ILE A 1 10 ? 31.561 12.397 25.892 1.00 9.49 ? 10 ILE A O 1 +ATOM 80 C CB . ILE A 1 10 ? 31.586 13.023 28.847 1.00 10.28 ? 10 ILE A CB 1 +ATOM 81 C CG1 . ILE A 1 10 ? 30.304 12.393 29.382 1.00 10.51 ? 10 ILE A CG1 1 +ATOM 82 C CG2 . ILE A 1 10 ? 32.349 13.756 29.963 1.00 10.10 ? 10 ILE A CG2 1 +ATOM 83 C CD1 . ILE A 1 10 ? 30.578 11.242 30.325 1.00 12.18 ? 10 ILE A CD1 1 +ATOM 84 N N . ARG A 1 11 ? 29.566 13.419 26.030 1.00 7.59 ? 11 ARG A N 1 +ATOM 85 C CA . ARG A 1 11 ? 29.015 12.742 24.851 1.00 8.70 ? 11 ARG A CA 1 +ATOM 86 C C . ARG A 1 11 ? 27.821 13.500 24.290 1.00 9.41 ? 11 ARG A C 1 +ATOM 87 O O . ARG A 1 11 ? 26.990 14.004 25.043 1.00 9.84 ? 11 ARG A O 1 +ATOM 88 C CB . ARG A 1 11 ? 28.563 11.316 25.184 1.00 8.07 ? 11 ARG A CB 1 +ATOM 89 C CG . ARG A 1 11 ? 27.912 10.616 23.998 1.00 12.26 ? 11 ARG A CG 1 +ATOM 90 C CD . ARG A 1 11 ? 27.234 9.340 24.394 1.00 13.46 ? 11 ARG A CD 1 +ATOM 91 N NE . ARG A 1 11 ? 28.157 8.304 24.847 1.00 15.44 ? 11 ARG A NE 1 +ATOM 92 C CZ . ARG A 1 11 ? 28.815 7.470 24.037 1.00 19.59 ? 11 ARG A CZ 1 +ATOM 93 N NH1 . ARG A 1 11 ? 28.677 7.559 22.714 1.00 19.40 ? 11 ARG A NH1 1 +ATOM 94 N NH2 . ARG A 1 11 ? 29.521 6.467 24.547 1.00 17.50 ? 11 ARG A NH2 1 +ATOM 95 N N . SER A 1 12 ? 27.748 13.594 22.965 1.00 8.84 ? 12 SER A N 1 +ATOM 96 C CA . SER A 1 12 ? 26.621 14.245 22.310 1.00 8.61 ? 12 SER A CA 1 +ATOM 97 C C . SER A 1 12 ? 26.278 13.431 21.063 1.00 9.48 ? 12 SER A C 1 +ATOM 98 O O . SER A 1 12 ? 27.159 13.147 20.250 1.00 9.84 ? 12 SER A O 1 +ATOM 99 C CB . SER A 1 12 ? 26.966 15.676 21.925 1.00 9.02 ? 12 SER A CB 1 +ATOM 100 O OG . SER A 1 12 ? 25.863 16.285 21.273 1.00 11.97 ? 12 SER A OG 1 +ATOM 101 N N . GLU A 1 13 ? 25.016 13.038 20.924 1.00 7.59 ? 13 GLU A N 1 +ATOM 102 C CA . GLU A 1 13 ? 24.586 12.258 19.768 1.00 9.67 ? 13 GLU A CA 1 +ATOM 103 C C . GLU A 1 13 ? 23.368 12.887 19.118 1.00 9.06 ? 13 GLU A C 1 +ATOM 104 O O . GLU A 1 13 ? 22.457 13.343 19.815 1.00 7.34 ? 13 GLU A O 1 +ATOM 105 C CB . GLU A 1 13 ? 24.185 10.833 20.184 1.00 9.72 ? 13 GLU A CB 1 +ATOM 106 C CG . GLU A 1 13 ? 25.257 10.018 20.895 1.00 15.17 ? 13 GLU A CG 1 +ATOM 107 C CD . GLU A 1 13 ? 26.262 9.340 19.954 1.00 18.75 ? 13 GLU A CD 1 +ATOM 108 O OE1 . GLU A 1 13 ? 26.031 9.310 18.726 1.00 18.53 ? 13 GLU A OE1 1 +ATOM 109 O OE2 . GLU A 1 13 ? 27.286 8.822 20.457 1.00 19.23 ? 13 GLU A OE2 1 +ATOM 110 N N . ASN A 1 14 ? 23.363 12.919 17.786 1.00 8.79 ? 14 ASN A N 1 +ATOM 111 C CA . ASN A 1 14 ? 22.202 13.408 17.025 1.00 8.29 ? 14 ASN A CA 1 +ATOM 112 C C . ASN A 1 14 ? 21.813 14.896 17.153 1.00 7.35 ? 14 ASN A C 1 +ATOM 113 O O . ASN A 1 14 ? 20.681 15.245 16.860 1.00 7.00 ? 14 ASN A O 1 +ATOM 114 C CB . ASN A 1 14 ? 20.989 12.522 17.383 1.00 7.23 ? 14 ASN A CB 1 +ATOM 115 C CG . ASN A 1 14 ? 20.358 11.833 16.172 1.00 9.38 ? 14 ASN A CG 1 +ATOM 116 O OD1 . ASN A 1 14 ? 20.996 11.670 15.128 1.00 10.37 ? 14 ASN A OD1 1 +ATOM 117 N ND2 . ASN A 1 14 ? 19.106 11.436 16.310 1.00 6.35 ? 14 ASN A ND2 1 +ATOM 118 N N . PHE A 1 15 ? 22.734 15.777 17.536 1.00 7.26 ? 15 PHE A N 1 +ATOM 119 C CA . PHE A 1 15 ? 22.385 17.198 17.681 1.00 9.06 ? 15 PHE A CA 1 +ATOM 120 C C . PHE A 1 15 ? 22.041 17.878 16.358 1.00 9.15 ? 15 PHE A C 1 +ATOM 121 O O . PHE A 1 15 ? 21.041 18.578 16.265 1.00 8.64 ? 15 PHE A O 1 +ATOM 122 C CB . PHE A 1 15 ? 23.497 17.990 18.379 1.00 10.05 ? 15 PHE A CB 1 +ATOM 123 C CG . PHE A 1 15 ? 23.102 19.397 18.746 1.00 10.57 ? 15 PHE A CG 1 +ATOM 124 C CD1 . PHE A 1 15 ? 22.032 19.633 19.605 1.00 13.39 ? 15 PHE A CD1 1 +ATOM 125 C CD2 . PHE A 1 15 ? 23.813 20.485 18.254 1.00 11.47 ? 15 PHE A CD2 1 +ATOM 126 C CE1 . PHE A 1 15 ? 21.678 20.929 19.968 1.00 13.52 ? 15 PHE A CE1 1 +ATOM 127 C CE2 . PHE A 1 15 ? 23.467 21.784 18.609 1.00 11.60 ? 15 PHE A CE2 1 +ATOM 128 C CZ . PHE A 1 15 ? 22.399 22.006 19.469 1.00 13.52 ? 15 PHE A CZ 1 +ATOM 129 N N . GLU A 1 16 ? 22.878 17.699 15.342 1.00 11.17 ? 16 GLU A N 1 +ATOM 130 C CA . GLU A 1 16 ? 22.583 18.313 14.053 1.00 12.58 ? 16 GLU A CA 1 +ATOM 131 C C . GLU A 1 16 ? 21.271 17.797 13.468 1.00 11.71 ? 16 GLU A C 1 +ATOM 132 O O . GLU A 1 16 ? 20.503 18.567 12.888 1.00 12.66 ? 16 GLU A O 1 +ATOM 133 C CB . GLU A 1 16 ? 23.711 18.081 13.060 1.00 15.91 ? 16 GLU A CB 1 +ATOM 134 C CG . GLU A 1 16 ? 23.274 18.337 11.626 1.00 21.31 ? 16 GLU A CG 1 +ATOM 135 C CD . GLU A 1 16 ? 24.376 18.878 10.757 1.00 25.39 ? 16 GLU A CD 1 +ATOM 136 O OE1 . GLU A 1 16 ? 25.526 18.984 11.240 1.00 27.92 ? 16 GLU A OE1 1 +ATOM 137 O OE2 . GLU A 1 16 ? 24.084 19.213 9.588 1.00 28.60 ? 16 GLU A OE2 1 +ATOM 138 N N . GLU A 1 17 ? 21.018 16.497 13.619 1.00 11.67 ? 17 GLU A N 1 +ATOM 139 C CA . GLU A 1 17 ? 19.785 15.878 13.116 1.00 13.65 ? 17 GLU A CA 1 +ATOM 140 C C . GLU A 1 17 ? 18.529 16.490 13.767 1.00 13.48 ? 17 GLU A C 1 +ATOM 141 O O . GLU A 1 17 ? 17.490 16.662 13.115 1.00 11.68 ? 17 GLU A O 1 +ATOM 142 C CB . GLU A 1 17 ? 19.811 14.361 13.325 1.00 17.06 ? 17 GLU A CB 1 +ATOM 143 C CG . GLU A 1 17 ? 20.806 13.602 12.430 1.00 23.45 ? 17 GLU A CG 1 +ATOM 144 C CD . GLU A 1 17 ? 22.279 13.624 12.909 1.00 27.80 ? 17 GLU A CD 1 +ATOM 145 O OE1 . GLU A 1 17 ? 22.637 14.338 13.881 1.00 26.52 ? 17 GLU A OE1 1 +ATOM 146 O OE2 . GLU A 1 17 ? 23.097 12.897 12.291 1.00 31.80 ? 17 GLU A OE2 1 +ATOM 147 N N . LEU A 1 18 ? 18.640 16.834 15.048 1.00 10.82 ? 18 LEU A N 1 +ATOM 148 C CA . LEU A 1 18 ? 17.547 17.468 15.777 1.00 9.45 ? 18 LEU A CA 1 +ATOM 149 C C . LEU A 1 18 ? 17.302 18.849 15.155 1.00 9.27 ? 18 LEU A C 1 +ATOM 150 O O . LEU A 1 18 ? 16.153 19.246 14.927 1.00 9.04 ? 18 LEU A O 1 +ATOM 151 C CB . LEU A 1 18 ? 17.931 17.644 17.253 1.00 9.77 ? 18 LEU A CB 1 +ATOM 152 C CG . LEU A 1 18 ? 16.921 18.358 18.163 1.00 11.36 ? 18 LEU A CG 1 +ATOM 153 C CD1 . LEU A 1 18 ? 15.817 17.402 18.554 1.00 13.85 ? 18 LEU A CD1 1 +ATOM 154 C CD2 . LEU A 1 18 ? 17.616 18.876 19.409 1.00 12.69 ? 18 LEU A CD2 1 +ATOM 155 N N . LEU A 1 19 ? 18.387 19.568 14.864 1.00 10.75 ? 19 LEU A N 1 +ATOM 156 C CA . LEU A 1 19 ? 18.275 20.906 14.276 1.00 11.15 ? 19 LEU A CA 1 +ATOM 157 C C . LEU A 1 19 ? 17.671 20.873 12.874 1.00 12.52 ? 19 LEU A C 1 +ATOM 158 O O . LEU A 1 19 ? 16.932 21.777 12.485 1.00 10.05 ? 19 LEU A O 1 +ATOM 159 C CB . LEU A 1 19 ? 19.631 21.616 14.263 1.00 12.01 ? 19 LEU A CB 1 +ATOM 160 C CG . LEU A 1 19 ? 20.282 21.963 15.614 1.00 10.42 ? 19 LEU A CG 1 +ATOM 161 C CD1 . LEU A 1 19 ? 21.560 22.763 15.369 1.00 13.01 ? 19 LEU A CD1 1 +ATOM 162 C CD2 . LEU A 1 19 ? 19.312 22.742 16.513 1.00 11.45 ? 19 LEU A CD2 1 +ATOM 163 N N . LYS A 1 20 ? 17.944 19.795 12.150 1.00 14.41 ? 20 LYS A N 1 +ATOM 164 C CA . LYS A 1 20 ? 17.427 19.628 10.800 1.00 16.54 ? 20 LYS A CA 1 +ATOM 165 C C . LYS A 1 20 ? 15.902 19.512 10.832 1.00 16.17 ? 20 LYS A C 1 +ATOM 166 O O . LYS A 1 20 ? 15.201 20.164 10.053 1.00 15.90 ? 20 LYS A O 1 +ATOM 167 C CB . LYS A 1 20 ? 18.048 18.390 10.157 1.00 20.07 ? 20 LYS A CB 1 +ATOM 168 C CG . LYS A 1 20 ? 18.592 18.643 8.765 1.00 26.61 ? 20 LYS A CG 1 +ATOM 169 C CD . LYS A 1 20 ? 18.960 17.349 8.027 1.00 30.95 ? 20 LYS A CD 1 +ATOM 170 C CE . LYS A 1 20 ? 20.226 16.690 8.579 1.00 35.68 ? 20 LYS A CE 1 +ATOM 171 N NZ . LYS A 1 20 ? 21.485 17.466 8.342 1.00 39.27 ? 20 LYS A NZ 1 +ATOM 172 N N . VAL A 1 21 ? 15.395 18.700 11.759 1.00 15.31 ? 21 VAL A N 1 +ATOM 173 C CA . VAL A 1 21 ? 13.958 18.508 11.927 1.00 14.41 ? 21 VAL A CA 1 +ATOM 174 C C . VAL A 1 21 ? 13.275 19.831 12.316 1.00 15.02 ? 21 VAL A C 1 +ATOM 175 O O . VAL A 1 21 ? 12.150 20.119 11.878 1.00 13.59 ? 21 VAL A O 1 +ATOM 176 C CB . VAL A 1 21 ? 13.674 17.422 12.998 1.00 14.93 ? 21 VAL A CB 1 +ATOM 177 C CG1 . VAL A 1 21 ? 12.194 17.383 13.364 1.00 17.29 ? 21 VAL A CG1 1 +ATOM 178 C CG2 . VAL A 1 21 ? 14.115 16.082 12.482 1.00 15.09 ? 21 VAL A CG2 1 +ATOM 179 N N . LEU A 1 22 ? 13.966 20.643 13.119 1.00 14.52 ? 22 LEU A N 1 +ATOM 180 C CA . LEU A 1 22 ? 13.432 21.938 13.569 1.00 14.42 ? 22 LEU A CA 1 +ATOM 181 C C . LEU A 1 22 ? 13.478 22.984 12.467 1.00 15.49 ? 22 LEU A C 1 +ATOM 182 O O . LEU A 1 22 ? 13.038 24.115 12.666 1.00 16.81 ? 22 LEU A O 1 +ATOM 183 C CB . LEU A 1 22 ? 14.180 22.440 14.818 1.00 13.61 ? 22 LEU A CB 1 +ATOM 184 C CG . LEU A 1 22 ? 13.986 21.565 16.069 1.00 13.97 ? 22 LEU A CG 1 +ATOM 185 C CD1 . LEU A 1 22 ? 14.852 22.047 17.225 1.00 13.25 ? 22 LEU A CD1 1 +ATOM 186 C CD2 . LEU A 1 22 ? 12.525 21.580 16.467 1.00 14.62 ? 22 LEU A CD2 1 +ATOM 187 N N . GLY A 1 23 ? 14.062 22.618 11.328 1.00 16.41 ? 23 GLY A N 1 +ATOM 188 C CA . GLY A 1 23 ? 14.123 23.516 10.183 1.00 17.05 ? 23 GLY A CA 1 +ATOM 189 C C . GLY A 1 23 ? 15.241 24.539 10.125 1.00 18.00 ? 23 GLY A C 1 +ATOM 190 O O . GLY A 1 23 ? 15.112 25.545 9.425 1.00 19.45 ? 23 GLY A O 1 +ATOM 191 N N . VAL A 1 24 ? 16.320 24.315 10.869 1.00 14.78 ? 24 VAL A N 1 +ATOM 192 C CA . VAL A 1 24 ? 17.440 25.241 10.860 1.00 13.71 ? 24 VAL A CA 1 +ATOM 193 C C . VAL A 1 24 ? 18.289 24.983 9.607 1.00 15.09 ? 24 VAL A C 1 +ATOM 194 O O . VAL A 1 24 ? 18.679 23.840 9.334 1.00 14.12 ? 24 VAL A O 1 +ATOM 195 C CB . VAL A 1 24 ? 18.297 25.081 12.139 1.00 12.19 ? 24 VAL A CB 1 +ATOM 196 C CG1 . VAL A 1 24 ? 19.465 26.054 12.109 1.00 8.69 ? 24 VAL A CG1 1 +ATOM 197 C CG2 . VAL A 1 24 ? 17.416 25.294 13.388 1.00 11.37 ? 24 VAL A CG2 1 +ATOM 198 N N . ASN A 1 25 ? 18.595 26.047 8.866 1.00 15.37 ? 25 ASN A N 1 +ATOM 199 C CA . ASN A 1 25 ? 19.360 25.914 7.635 1.00 17.74 ? 25 ASN A CA 1 +ATOM 200 C C . ASN A 1 25 ? 20.808 25.466 7.819 1.00 18.29 ? 25 ASN A C 1 +ATOM 201 O O . ASN A 1 25 ? 21.377 25.592 8.903 1.00 18.05 ? 25 ASN A O 1 +ATOM 202 C CB . ASN A 1 25 ? 19.230 27.172 6.742 1.00 19.41 ? 25 ASN A CB 1 +ATOM 203 C CG . ASN A 1 25 ? 20.090 28.351 7.200 1.00 22.35 ? 25 ASN A CG 1 +ATOM 204 O OD1 . ASN A 1 25 ? 21.207 28.189 7.698 1.00 22.64 ? 25 ASN A OD1 1 +ATOM 205 N ND2 . ASN A 1 25 ? 19.602 29.558 6.933 1.00 24.15 ? 25 ASN A ND2 1 +ATOM 206 N N . VAL A 1 26 ? 21.398 24.971 6.733 1.00 18.67 ? 26 VAL A N 1 +ATOM 207 C CA . VAL A 1 26 ? 22.755 24.444 6.742 1.00 19.24 ? 26 VAL A CA 1 +ATOM 208 C C . VAL A 1 26 ? 23.825 25.280 7.421 1.00 18.39 ? 26 VAL A C 1 +ATOM 209 O O . VAL A 1 26 ? 24.558 24.764 8.261 1.00 18.50 ? 26 VAL A O 1 +ATOM 210 C CB . VAL A 1 26 ? 23.223 24.088 5.320 1.00 20.77 ? 26 VAL A CB 1 +ATOM 211 C CG1 . VAL A 1 26 ? 24.624 23.523 5.378 1.00 22.39 ? 26 VAL A CG1 1 +ATOM 212 C CG2 . VAL A 1 26 ? 22.276 23.084 4.698 1.00 21.28 ? 26 VAL A CG2 1 +ATOM 213 N N . MET A 1 27 ? 23.932 26.556 7.052 1.00 19.00 ? 27 MET A N 1 +ATOM 214 C CA . MET A 1 27 ? 24.948 27.433 7.628 1.00 19.54 ? 27 MET A CA 1 +ATOM 215 C C . MET A 1 27 ? 24.734 27.741 9.099 1.00 19.04 ? 27 MET A C 1 +ATOM 216 O O . MET A 1 27 ? 25.702 27.820 9.849 1.00 18.28 ? 27 MET A O 1 +ATOM 217 C CB . MET A 1 27 ? 25.104 28.736 6.830 1.00 23.31 ? 27 MET A CB 1 +ATOM 218 C CG . MET A 1 27 ? 25.955 28.602 5.552 1.00 29.99 ? 27 MET A CG 1 +ATOM 219 S SD . MET A 1 27 ? 24.975 28.527 4.010 1.00 37.48 ? 27 MET A SD 1 +ATOM 220 C CE . MET A 1 27 ? 26.198 29.150 2.776 1.00 35.24 ? 27 MET A CE 1 +ATOM 221 N N . LEU A 1 28 ? 23.480 27.932 9.507 1.00 16.74 ? 28 LEU A N 1 +ATOM 222 C CA . LEU A 1 28 ? 23.190 28.209 10.912 1.00 16.39 ? 28 LEU A CA 1 +ATOM 223 C C . LEU A 1 28 ? 23.477 26.954 11.722 1.00 16.86 ? 28 LEU A C 1 +ATOM 224 O O . LEU A 1 28 ? 23.954 27.038 12.852 1.00 15.09 ? 28 LEU A O 1 +ATOM 225 C CB . LEU A 1 28 ? 21.739 28.679 11.111 1.00 15.94 ? 28 LEU A CB 1 +ATOM 226 C CG . LEU A 1 28 ? 21.490 30.154 10.741 1.00 16.72 ? 28 LEU A CG 1 +ATOM 227 C CD1 . LEU A 1 28 ? 20.008 30.496 10.780 1.00 14.38 ? 28 LEU A CD1 1 +ATOM 228 C CD2 . LEU A 1 28 ? 22.302 31.074 11.665 1.00 12.81 ? 28 LEU A CD2 1 +ATOM 229 N N . ARG A 1 29 ? 23.228 25.791 11.121 1.00 16.05 ? 29 ARG A N 1 +ATOM 230 C CA . ARG A 1 29 ? 23.498 24.524 11.798 1.00 18.43 ? 29 ARG A CA 1 +ATOM 231 C C . ARG A 1 29 ? 24.980 24.377 12.076 1.00 19.22 ? 29 ARG A C 1 +ATOM 232 O O . ARG A 1 29 ? 25.383 23.987 13.171 1.00 17.97 ? 29 ARG A O 1 +ATOM 233 C CB . ARG A 1 29 ? 23.030 23.334 10.969 1.00 18.63 ? 29 ARG A CB 1 +ATOM 234 C CG . ARG A 1 29 ? 21.596 22.983 11.189 1.00 21.26 ? 29 ARG A CG 1 +ATOM 235 C CD . ARG A 1 29 ? 21.339 21.572 10.739 1.00 24.71 ? 29 ARG A CD 1 +ATOM 236 N NE . ARG A 1 29 ? 20.571 21.564 9.513 1.00 29.88 ? 29 ARG A NE 1 +ATOM 237 C CZ . ARG A 1 29 ? 21.019 21.147 8.340 1.00 29.19 ? 29 ARG A CZ 1 +ATOM 238 N NH1 . ARG A 1 29 ? 22.248 20.682 8.205 1.00 30.52 ? 29 ARG A NH1 1 +ATOM 239 N NH2 . ARG A 1 29 ? 20.232 21.233 7.295 1.00 31.61 ? 29 ARG A NH2 1 +ATOM 240 N N . LYS A 1 30 ? 25.790 24.709 11.078 1.00 19.76 ? 30 LYS A N 1 +ATOM 241 C CA . LYS A 1 30 ? 27.235 24.619 11.198 1.00 21.96 ? 30 LYS A CA 1 +ATOM 242 C C . LYS A 1 30 ? 27.706 25.418 12.417 1.00 20.91 ? 30 LYS A C 1 +ATOM 243 O O . LYS A 1 30 ? 28.470 24.916 13.239 1.00 22.15 ? 30 LYS A O 1 +ATOM 244 C CB . LYS A 1 30 ? 27.894 25.143 9.915 1.00 25.07 ? 30 LYS A CB 1 +ATOM 245 C CG . LYS A 1 30 ? 29.404 25.031 9.905 1.00 30.48 ? 30 LYS A CG 1 +ATOM 246 C CD . LYS A 1 30 ? 30.013 25.631 8.639 1.00 35.43 ? 30 LYS A CD 1 +ATOM 247 C CE . LYS A 1 30 ? 31.533 25.759 8.778 1.00 37.96 ? 30 LYS A CE 1 +ATOM 248 N NZ . LYS A 1 30 ? 32.180 26.388 7.584 1.00 41.61 ? 30 LYS A NZ 1 +ATOM 249 N N . ILE A 1 31 ? 27.208 26.643 12.544 1.00 18.38 ? 31 ILE A N 1 +ATOM 250 C CA . ILE A 1 31 ? 27.557 27.527 13.652 1.00 16.41 ? 31 ILE A CA 1 +ATOM 251 C C . ILE A 1 31 ? 27.105 26.932 14.989 1.00 15.39 ? 31 ILE A C 1 +ATOM 252 O O . ILE A 1 31 ? 27.888 26.855 15.930 1.00 14.90 ? 31 ILE A O 1 +ATOM 253 C CB . ILE A 1 31 ? 26.881 28.920 13.471 1.00 16.63 ? 31 ILE A CB 1 +ATOM 254 C CG1 . ILE A 1 31 ? 27.419 29.606 12.208 1.00 18.74 ? 31 ILE A CG1 1 +ATOM 255 C CG2 . ILE A 1 31 ? 27.071 29.791 14.713 1.00 15.71 ? 31 ILE A CG2 1 +ATOM 256 C CD1 . ILE A 1 31 ? 26.735 30.946 11.858 1.00 17.27 ? 31 ILE A CD1 1 +ATOM 257 N N . ALA A 1 32 ? 25.853 26.487 15.048 1.00 13.39 ? 32 ALA A N 1 +ATOM 258 C CA . ALA A 1 32 ? 25.271 25.930 16.267 1.00 12.76 ? 32 ALA A CA 1 +ATOM 259 C C . ALA A 1 32 ? 25.994 24.685 16.775 1.00 12.11 ? 32 ALA A C 1 +ATOM 260 O O . ALA A 1 32 ? 26.325 24.598 17.946 1.00 10.54 ? 32 ALA A O 1 +ATOM 261 C CB . ALA A 1 32 ? 23.790 25.638 16.040 1.00 12.45 ? 32 ALA A CB 1 +ATOM 262 N N . VAL A 1 33 ? 26.252 23.731 15.886 1.00 11.95 ? 33 VAL A N 1 +ATOM 263 C CA . VAL A 1 33 ? 26.932 22.490 16.256 1.00 13.80 ? 33 VAL A CA 1 +ATOM 264 C C . VAL A 1 33 ? 28.328 22.701 16.855 1.00 14.00 ? 33 VAL A C 1 +ATOM 265 O O . VAL A 1 33 ? 28.693 22.048 17.832 1.00 14.07 ? 33 VAL A O 1 +ATOM 266 C CB . VAL A 1 33 ? 27.016 21.504 15.044 1.00 13.56 ? 33 VAL A CB 1 +ATOM 267 C CG1 . VAL A 1 33 ? 27.909 20.318 15.375 1.00 16.07 ? 33 VAL A CG1 1 +ATOM 268 C CG2 . VAL A 1 33 ? 25.621 21.006 14.684 1.00 14.96 ? 33 VAL A CG2 1 +ATOM 269 N N . ALA A 1 34 ? 29.101 23.620 16.281 1.00 14.73 ? 34 ALA A N 1 +ATOM 270 C CA . ALA A 1 34 ? 30.443 23.898 16.780 1.00 14.95 ? 34 ALA A CA 1 +ATOM 271 C C . ALA A 1 34 ? 30.381 24.505 18.178 1.00 15.59 ? 34 ALA A C 1 +ATOM 272 O O . ALA A 1 34 ? 31.120 24.085 19.065 1.00 16.65 ? 34 ALA A O 1 +ATOM 273 C CB . ALA A 1 34 ? 31.191 24.844 15.833 1.00 16.10 ? 34 ALA A CB 1 +ATOM 274 N N . ALA A 1 35 ? 29.495 25.480 18.375 1.00 13.20 ? 35 ALA A N 1 +ATOM 275 C CA . ALA A 1 35 ? 29.371 26.134 19.671 1.00 13.04 ? 35 ALA A CA 1 +ATOM 276 C C . ALA A 1 35 ? 28.807 25.200 20.749 1.00 12.91 ? 35 ALA A C 1 +ATOM 277 O O . ALA A 1 35 ? 29.245 25.239 21.895 1.00 12.32 ? 35 ALA A O 1 +ATOM 278 C CB . ALA A 1 35 ? 28.517 27.387 19.552 1.00 12.14 ? 35 ALA A CB 1 +ATOM 279 N N . ALA A 1 36 ? 27.878 24.332 20.362 1.00 11.40 ? 36 ALA A N 1 +ATOM 280 C CA . ALA A 1 36 ? 27.253 23.416 21.312 1.00 12.63 ? 36 ALA A CA 1 +ATOM 281 C C . ALA A 1 36 ? 28.128 22.256 21.770 1.00 13.40 ? 36 ALA A C 1 +ATOM 282 O O . ALA A 1 36 ? 27.743 21.512 22.668 1.00 13.47 ? 36 ALA A O 1 +ATOM 283 C CB . ALA A 1 36 ? 25.952 22.883 20.744 1.00 11.79 ? 36 ALA A CB 1 +ATOM 284 N N . SER A 1 37 ? 29.286 22.080 21.148 1.00 13.86 ? 37 SER A N 1 +ATOM 285 C CA . SER A 1 37 ? 30.169 20.983 21.520 1.00 15.95 ? 37 SER A CA 1 +ATOM 286 C C . SER A 1 37 ? 30.938 21.245 22.818 1.00 16.46 ? 37 SER A C 1 +ATOM 287 O O . SER A 1 37 ? 31.488 20.320 23.406 1.00 18.23 ? 37 SER A O 1 +ATOM 288 C CB . SER A 1 37 ? 31.145 20.689 20.388 1.00 16.93 ? 37 SER A CB 1 +ATOM 289 O OG . SER A 1 37 ? 32.100 21.729 20.293 1.00 21.65 ? 37 SER A OG 1 +ATOM 290 N N . LYS A 1 38 ? 30.957 22.496 23.272 1.00 16.91 ? 38 LYS A N 1 +ATOM 291 C CA . LYS A 1 38 ? 31.657 22.869 24.502 1.00 18.36 ? 38 LYS A CA 1 +ATOM 292 C C . LYS A 1 38 ? 30.817 23.809 25.382 1.00 15.90 ? 38 LYS A C 1 +ATOM 293 O O . LYS A 1 38 ? 31.175 24.975 25.591 1.00 16.72 ? 38 LYS A O 1 +ATOM 294 C CB . LYS A 1 38 ? 33.004 23.539 24.156 1.00 23.99 ? 38 LYS A CB 1 +ATOM 295 C CG . LYS A 1 38 ? 32.907 24.607 23.046 1.00 30.97 ? 38 LYS A CG 1 +ATOM 296 C CD . LYS A 1 38 ? 34.250 25.320 22.792 1.00 36.44 ? 38 LYS A CD 1 +ATOM 297 C CE . LYS A 1 38 ? 34.266 26.098 21.456 1.00 38.70 ? 38 LYS A CE 1 +ATOM 298 N NZ . LYS A 1 38 ? 33.193 27.131 21.321 1.00 39.37 ? 38 LYS A NZ 1 +ATOM 299 N N . PRO A 1 39 ? 29.669 23.321 25.906 1.00 13.53 ? 39 PRO A N 1 +ATOM 300 C CA . PRO A 1 39 ? 28.851 24.201 26.747 1.00 11.87 ? 39 PRO A CA 1 +ATOM 301 C C . PRO A 1 39 ? 29.292 24.248 28.211 1.00 12.05 ? 39 PRO A C 1 +ATOM 302 O O . PRO A 1 39 ? 30.027 23.380 28.676 1.00 12.12 ? 39 PRO A O 1 +ATOM 303 C CB . PRO A 1 39 ? 27.469 23.560 26.649 1.00 9.34 ? 39 PRO A CB 1 +ATOM 304 C CG . PRO A 1 39 ? 27.779 22.131 26.593 1.00 10.32 ? 39 PRO A CG 1 +ATOM 305 C CD . PRO A 1 39 ? 29.009 22.020 25.703 1.00 10.86 ? 39 PRO A CD 1 +ATOM 306 N N . ALA A 1 40 ? 28.921 25.316 28.898 1.00 11.52 ? 40 ALA A N 1 +ATOM 307 C CA . ALA A 1 40 ? 29.192 25.423 30.329 1.00 11.84 ? 40 ALA A CA 1 +ATOM 308 C C . ALA A 1 40 ? 27.773 25.329 30.894 1.00 10.23 ? 40 ALA A C 1 +ATOM 309 O O . ALA A 1 40 ? 26.894 26.080 30.478 1.00 10.42 ? 40 ALA A O 1 +ATOM 310 C CB . ALA A 1 40 ? 29.830 26.767 30.673 1.00 11.40 ? 40 ALA A CB 1 +ATOM 311 N N . VAL A 1 41 ? 27.518 24.345 31.750 1.00 10.73 ? 41 VAL A N 1 +ATOM 312 C CA . VAL A 1 41 ? 26.185 24.169 32.333 1.00 9.92 ? 41 VAL A CA 1 +ATOM 313 C C . VAL A 1 41 ? 26.226 24.295 33.854 1.00 11.64 ? 41 VAL A C 1 +ATOM 314 O O . VAL A 1 41 ? 27.026 23.627 34.514 1.00 11.40 ? 41 VAL A O 1 +ATOM 315 C CB . VAL A 1 41 ? 25.594 22.772 31.987 1.00 10.67 ? 41 VAL A CB 1 +ATOM 316 C CG1 . VAL A 1 41 ? 24.204 22.596 32.612 1.00 11.34 ? 41 VAL A CG1 1 +ATOM 317 C CG2 . VAL A 1 41 ? 25.507 22.583 30.475 1.00 11.31 ? 41 VAL A CG2 1 +ATOM 318 N N . GLU A 1 42 ? 25.364 25.147 34.399 1.00 10.94 ? 42 GLU A N 1 +ATOM 319 C CA . GLU A 1 42 ? 25.271 25.327 35.845 1.00 12.40 ? 42 GLU A CA 1 +ATOM 320 C C . GLU A 1 42 ? 23.837 25.095 36.316 1.00 11.42 ? 42 GLU A C 1 +ATOM 321 O O . GLU A 1 42 ? 22.898 25.720 35.825 1.00 10.46 ? 42 GLU A O 1 +ATOM 322 C CB . GLU A 1 42 ? 25.711 26.721 36.270 1.00 16.26 ? 42 GLU A CB 1 +ATOM 323 C CG . GLU A 1 42 ? 25.495 26.947 37.768 1.00 23.78 ? 42 GLU A CG 1 +ATOM 324 C CD . GLU A 1 42 ? 25.944 28.311 38.242 1.00 27.94 ? 42 GLU A CD 1 +ATOM 325 O OE1 . GLU A 1 42 ? 25.308 29.329 37.872 1.00 29.92 ? 42 GLU A OE1 1 +ATOM 326 O OE2 . GLU A 1 42 ? 26.935 28.351 39.002 1.00 32.64 ? 42 GLU A OE2 1 +ATOM 327 N N . ILE A 1 43 ? 23.673 24.176 37.261 1.00 10.55 ? 43 ILE A N 1 +ATOM 328 C CA . ILE A 1 43 ? 22.362 23.864 37.794 1.00 10.69 ? 43 ILE A CA 1 +ATOM 329 C C . ILE A 1 43 ? 22.360 24.120 39.300 1.00 11.07 ? 43 ILE A C 1 +ATOM 330 O O . ILE A 1 43 ? 23.307 23.764 39.992 1.00 10.83 ? 43 ILE A O 1 +ATOM 331 C CB . ILE A 1 43 ? 21.996 22.374 37.552 1.00 10.47 ? 43 ILE A CB 1 +ATOM 332 C CG1 . ILE A 1 43 ? 21.974 22.072 36.056 1.00 10.46 ? 43 ILE A CG1 1 +ATOM 333 C CG2 . ILE A 1 43 ? 20.636 22.031 38.186 1.00 10.34 ? 43 ILE A CG2 1 +ATOM 334 C CD1 . ILE A 1 43 ? 21.607 20.639 35.726 1.00 9.00 ? 43 ILE A CD1 1 +ATOM 335 N N . LYS A 1 44 ? 21.315 24.784 39.778 1.00 12.26 ? 44 LYS A N 1 +ATOM 336 C CA . LYS A 1 44 ? 21.127 25.051 41.201 1.00 13.96 ? 44 LYS A CA 1 +ATOM 337 C C . LYS A 1 44 ? 19.729 24.528 41.516 1.00 14.16 ? 44 LYS A C 1 +ATOM 338 O O . LYS A 1 44 ? 18.749 24.920 40.873 1.00 14.12 ? 44 LYS A O 1 +ATOM 339 C CB . LYS A 1 44 ? 21.220 26.545 41.503 1.00 16.58 ? 44 LYS A CB 1 +ATOM 340 C CG . LYS A 1 44 ? 22.580 27.150 41.170 1.00 22.90 ? 44 LYS A CG 1 +ATOM 341 C CD . LYS A 1 44 ? 22.571 28.654 41.385 1.00 29.01 ? 44 LYS A CD 1 +ATOM 342 C CE . LYS A 1 44 ? 23.890 29.293 40.982 1.00 31.56 ? 44 LYS A CE 1 +ATOM 343 N NZ . LYS A 1 44 ? 23.818 30.781 41.111 1.00 34.70 ? 44 LYS A NZ 1 +ATOM 344 N N . GLN A 1 45 ? 19.649 23.594 42.460 1.00 15.66 ? 45 GLN A N 1 +ATOM 345 C CA . GLN A 1 45 ? 18.377 22.993 42.852 1.00 16.03 ? 45 GLN A CA 1 +ATOM 346 C C . GLN A 1 45 ? 18.098 23.182 44.342 1.00 17.60 ? 45 GLN A C 1 +ATOM 347 O O . GLN A 1 45 ? 18.989 23.024 45.164 1.00 17.17 ? 45 GLN A O 1 +ATOM 348 C CB . GLN A 1 45 ? 18.397 21.498 42.544 1.00 15.51 ? 45 GLN A CB 1 +ATOM 349 C CG . GLN A 1 45 ? 17.168 20.744 43.015 1.00 13.62 ? 45 GLN A CG 1 +ATOM 350 C CD . GLN A 1 45 ? 17.312 19.256 42.838 1.00 15.68 ? 45 GLN A CD 1 +ATOM 351 O OE1 . GLN A 1 45 ? 18.348 18.769 42.397 1.00 18.84 ? 45 GLN A OE1 1 +ATOM 352 N NE2 . GLN A 1 45 ? 16.276 18.521 43.177 1.00 16.73 ? 45 GLN A NE2 1 +ATOM 353 N N . GLU A 1 46 ? 16.868 23.551 44.670 1.00 18.48 ? 46 GLU A N 1 +ATOM 354 C CA . GLU A 1 46 ? 16.441 23.718 46.062 1.00 21.26 ? 46 GLU A CA 1 +ATOM 355 C C . GLU A 1 46 ? 15.108 23.004 46.105 1.00 19.06 ? 46 GLU A C 1 +ATOM 356 O O . GLU A 1 46 ? 14.080 23.589 45.784 1.00 20.08 ? 46 GLU A O 1 +ATOM 357 C CB . GLU A 1 46 ? 16.239 25.194 46.408 1.00 26.45 ? 46 GLU A CB 1 +ATOM 358 C CG . GLU A 1 46 ? 17.284 25.787 47.361 1.00 37.46 ? 46 GLU A CG 1 +ATOM 359 C CD . GLU A 1 46 ? 17.093 25.374 48.832 1.00 42.24 ? 46 GLU A CD 1 +ATOM 360 O OE1 . GLU A 1 46 ? 16.192 25.944 49.501 1.00 44.05 ? 46 GLU A OE1 1 +ATOM 361 O OE2 . GLU A 1 46 ? 17.867 24.507 49.320 1.00 44.14 ? 46 GLU A OE2 1 +ATOM 362 N N . GLY A 1 47 ? 15.131 21.720 46.429 1.00 18.35 ? 47 GLY A N 1 +ATOM 363 C CA . GLY A 1 47 ? 13.893 20.970 46.463 1.00 18.96 ? 47 GLY A CA 1 +ATOM 364 C C . GLY A 1 47 ? 13.382 20.755 45.053 1.00 18.27 ? 47 GLY A C 1 +ATOM 365 O O . GLY A 1 47 ? 14.067 20.157 44.238 1.00 18.05 ? 47 GLY A O 1 +ATOM 366 N N . ASP A 1 48 ? 12.194 21.262 44.755 1.00 16.66 ? 48 ASP A N 1 +ATOM 367 C CA . ASP A 1 48 ? 11.617 21.107 43.420 1.00 16.86 ? 48 ASP A CA 1 +ATOM 368 C C . ASP A 1 48 ? 11.771 22.378 42.566 1.00 15.92 ? 48 ASP A C 1 +ATOM 369 O O . ASP A 1 48 ? 11.139 22.511 41.504 1.00 14.50 ? 48 ASP A O 1 +ATOM 370 C CB . ASP A 1 48 ? 10.136 20.694 43.513 1.00 19.00 ? 48 ASP A CB 1 +ATOM 371 C CG . ASP A 1 48 ? 9.943 19.221 43.897 1.00 21.49 ? 48 ASP A CG 1 +ATOM 372 O OD1 . ASP A 1 48 ? 10.901 18.406 43.840 1.00 23.51 ? 48 ASP A OD1 1 +ATOM 373 O OD2 . ASP A 1 48 ? 8.802 18.868 44.243 1.00 25.04 ? 48 ASP A OD2 1 +ATOM 374 N N . THR A 1 49 ? 12.610 23.299 43.042 1.00 13.75 ? 49 THR A N 1 +ATOM 375 C CA . THR A 1 49 ? 12.870 24.551 42.348 1.00 13.82 ? 49 THR A CA 1 +ATOM 376 C C . THR A 1 49 ? 14.231 24.460 41.678 1.00 13.22 ? 49 THR A C 1 +ATOM 377 O O . THR A 1 49 ? 15.235 24.152 42.322 1.00 12.56 ? 49 THR A O 1 +ATOM 378 C CB . THR A 1 49 ? 12.847 25.741 43.316 1.00 16.10 ? 49 THR A CB 1 +ATOM 379 O OG1 . THR A 1 49 ? 11.556 25.815 43.941 1.00 17.94 ? 49 THR A OG1 1 +ATOM 380 C CG2 . THR A 1 49 ? 13.100 27.037 42.571 1.00 16.15 ? 49 THR A CG2 1 +ATOM 381 N N . PHE A 1 50 ? 14.266 24.794 40.392 1.00 12.20 ? 50 PHE A N 1 +ATOM 382 C CA . PHE A 1 50 ? 15.485 24.704 39.602 1.00 10.82 ? 50 PHE A CA 1 +ATOM 383 C C . PHE A 1 50 ? 15.842 25.979 38.855 1.00 10.40 ? 50 PHE A C 1 +ATOM 384 O O . PHE A 1 50 ? 14.968 26.758 38.460 1.00 9.90 ? 50 PHE A O 1 +ATOM 385 C CB . PHE A 1 50 ? 15.338 23.591 38.547 1.00 10.78 ? 50 PHE A CB 1 +ATOM 386 C CG . PHE A 1 50 ? 15.316 22.192 39.107 1.00 13.13 ? 50 PHE A CG 1 +ATOM 387 C CD1 . PHE A 1 50 ? 14.146 21.653 39.634 1.00 11.97 ? 50 PHE A CD1 1 +ATOM 388 C CD2 . PHE A 1 50 ? 16.464 21.401 39.079 1.00 14.34 ? 50 PHE A CD2 1 +ATOM 389 C CE1 . PHE A 1 50 ? 14.113 20.367 40.120 1.00 12.69 ? 50 PHE A CE1 1 +ATOM 390 C CE2 . PHE A 1 50 ? 16.439 20.098 39.569 1.00 14.64 ? 50 PHE A CE2 1 +ATOM 391 C CZ . PHE A 1 50 ? 15.258 19.582 40.092 1.00 13.15 ? 50 PHE A CZ 1 +ATOM 392 N N . TYR A 1 51 ? 17.147 26.165 38.678 1.00 10.37 ? 51 TYR A N 1 +ATOM 393 C CA . TYR A 1 51 ? 17.709 27.258 37.910 1.00 10.95 ? 51 TYR A CA 1 +ATOM 394 C C . TYR A 1 51 ? 18.714 26.513 37.039 1.00 9.84 ? 51 TYR A C 1 +ATOM 395 O O . TYR A 1 51 ? 19.540 25.761 37.547 1.00 9.78 ? 51 TYR A O 1 +ATOM 396 C CB . TYR A 1 51 ? 18.436 28.284 38.790 1.00 12.57 ? 51 TYR A CB 1 +ATOM 397 C CG . TYR A 1 51 ? 19.396 29.178 38.014 1.00 12.91 ? 51 TYR A CG 1 +ATOM 398 C CD1 . TYR A 1 51 ? 18.939 30.302 37.327 1.00 15.83 ? 51 TYR A CD1 1 +ATOM 399 C CD2 . TYR A 1 51 ? 20.762 28.896 37.974 1.00 14.05 ? 51 TYR A CD2 1 +ATOM 400 C CE1 . TYR A 1 51 ? 19.822 31.126 36.621 1.00 16.52 ? 51 TYR A CE1 1 +ATOM 401 C CE2 . TYR A 1 51 ? 21.655 29.705 37.275 1.00 14.62 ? 51 TYR A CE2 1 +ATOM 402 C CZ . TYR A 1 51 ? 21.179 30.818 36.604 1.00 16.59 ? 51 TYR A CZ 1 +ATOM 403 O OH . TYR A 1 51 ? 22.060 31.633 35.932 1.00 17.52 ? 51 TYR A OH 1 +ATOM 404 N N . ILE A 1 52 ? 18.610 26.676 35.726 1.00 10.57 ? 52 ILE A N 1 +ATOM 405 C CA . ILE A 1 52 ? 19.520 26.004 34.801 1.00 9.09 ? 52 ILE A CA 1 +ATOM 406 C C . ILE A 1 52 ? 20.066 27.020 33.801 1.00 8.55 ? 52 ILE A C 1 +ATOM 407 O O . ILE A 1 52 ? 19.296 27.652 33.086 1.00 10.49 ? 52 ILE A O 1 +ATOM 408 C CB . ILE A 1 52 ? 18.807 24.859 34.026 1.00 8.96 ? 52 ILE A CB 1 +ATOM 409 C CG1 . ILE A 1 52 ? 18.242 23.814 35.013 1.00 9.15 ? 52 ILE A CG1 1 +ATOM 410 C CG2 . ILE A 1 52 ? 19.792 24.189 33.070 1.00 10.39 ? 52 ILE A CG2 1 +ATOM 411 C CD1 . ILE A 1 52 ? 17.585 22.616 34.366 1.00 8.10 ? 52 ILE A CD1 1 +ATOM 412 N N . LYS A 1 53 ? 21.388 27.197 33.791 1.00 8.61 ? 53 LYS A N 1 +ATOM 413 C CA . LYS A 1 53 ? 22.049 28.115 32.868 1.00 9.66 ? 53 LYS A CA 1 +ATOM 414 C C . LYS A 1 53 ? 22.939 27.319 31.924 1.00 8.71 ? 53 LYS A C 1 +ATOM 415 O O . LYS A 1 53 ? 23.815 26.583 32.362 1.00 7.58 ? 53 LYS A O 1 +ATOM 416 C CB . LYS A 1 53 ? 22.909 29.120 33.611 1.00 10.60 ? 53 LYS A CB 1 +ATOM 417 C CG . LYS A 1 53 ? 23.580 30.135 32.688 1.00 14.21 ? 53 LYS A CG 1 +ATOM 418 C CD . LYS A 1 53 ? 24.496 31.006 33.505 1.00 20.27 ? 53 LYS A CD 1 +ATOM 419 C CE . LYS A 1 53 ? 24.831 32.319 32.828 1.00 26.91 ? 53 LYS A CE 1 +ATOM 420 N NZ . LYS A 1 53 ? 25.878 33.009 33.659 1.00 29.12 ? 53 LYS A NZ 1 +ATOM 421 N N . THR A 1 54 ? 22.686 27.445 30.625 1.00 8.49 ? 54 THR A N 1 +ATOM 422 C CA . THR A 1 54 ? 23.478 26.747 29.628 1.00 7.98 ? 54 THR A CA 1 +ATOM 423 C C . THR A 1 54 ? 24.118 27.820 28.764 1.00 8.23 ? 54 THR A C 1 +ATOM 424 O O . THR A 1 54 ? 23.433 28.584 28.087 1.00 8.40 ? 54 THR A O 1 +ATOM 425 C CB . THR A 1 54 ? 22.621 25.817 28.789 1.00 8.33 ? 54 THR A CB 1 +ATOM 426 O OG1 . THR A 1 54 ? 21.896 24.946 29.660 1.00 9.95 ? 54 THR A OG1 1 +ATOM 427 C CG2 . THR A 1 54 ? 23.505 24.976 27.873 1.00 4.95 ? 54 THR A CG2 1 +ATOM 428 N N . SER A 1 55 ? 25.444 27.840 28.758 1.00 8.75 ? 55 SER A N 1 +ATOM 429 C CA . SER A 1 55 ? 26.171 28.865 28.047 1.00 10.50 ? 55 SER A CA 1 +ATOM 430 C C . SER A 1 55 ? 27.116 28.382 26.950 1.00 9.24 ? 55 SER A C 1 +ATOM 431 O O . SER A 1 55 ? 27.802 27.370 27.101 1.00 8.98 ? 55 SER A O 1 +ATOM 432 C CB . SER A 1 55 ? 26.934 29.694 29.082 1.00 13.09 ? 55 SER A CB 1 +ATOM 433 O OG . SER A 1 55 ? 27.781 30.646 28.473 1.00 23.11 ? 55 SER A OG 1 +ATOM 434 N N . THR A 1 56 ? 27.091 29.094 25.825 1.00 8.86 ? 56 THR A N 1 +ATOM 435 C CA . THR A 1 56 ? 27.978 28.831 24.684 1.00 8.05 ? 56 THR A CA 1 +ATOM 436 C C . THR A 1 56 ? 28.393 30.215 24.138 1.00 8.09 ? 56 THR A C 1 +ATOM 437 O O . THR A 1 56 ? 27.834 31.237 24.525 1.00 7.17 ? 56 THR A O 1 +ATOM 438 C CB . THR A 1 56 ? 27.296 28.024 23.534 1.00 6.70 ? 56 THR A CB 1 +ATOM 439 O OG1 . THR A 1 56 ? 26.294 28.829 22.909 1.00 9.76 ? 56 THR A OG1 1 +ATOM 440 C CG2 . THR A 1 56 ? 26.653 26.751 24.049 1.00 7.76 ? 56 THR A CG2 1 +ATOM 441 N N . THR A 1 57 ? 29.381 30.242 23.249 1.00 9.17 ? 57 THR A N 1 +ATOM 442 C CA . THR A 1 57 ? 29.871 31.485 22.644 1.00 8.49 ? 57 THR A CA 1 +ATOM 443 C C . THR A 1 57 ? 28.820 32.222 21.802 1.00 7.50 ? 57 THR A C 1 +ATOM 444 O O . THR A 1 57 ? 28.952 33.412 21.565 1.00 9.40 ? 57 THR A O 1 +ATOM 445 C CB . THR A 1 57 ? 31.091 31.205 21.716 1.00 9.12 ? 57 THR A CB 1 +ATOM 446 O OG1 . THR A 1 57 ? 30.758 30.171 20.786 1.00 9.41 ? 57 THR A OG1 1 +ATOM 447 C CG2 . THR A 1 57 ? 32.297 30.775 22.516 1.00 11.48 ? 57 THR A CG2 1 +ATOM 448 N N . VAL A 1 58 ? 27.786 31.510 21.356 1.00 8.04 ? 58 VAL A N 1 +ATOM 449 C CA . VAL A 1 58 ? 26.733 32.090 20.500 1.00 9.09 ? 58 VAL A CA 1 +ATOM 450 C C . VAL A 1 58 ? 25.328 32.224 21.102 1.00 8.67 ? 58 VAL A C 1 +ATOM 451 O O . VAL A 1 58 ? 24.466 32.892 20.531 1.00 6.97 ? 58 VAL A O 1 +ATOM 452 C CB . VAL A 1 58 ? 26.602 31.287 19.155 1.00 9.96 ? 58 VAL A CB 1 +ATOM 453 C CG1 . VAL A 1 58 ? 27.976 31.161 18.454 1.00 11.08 ? 58 VAL A CG1 1 +ATOM 454 C CG2 . VAL A 1 58 ? 26.010 29.890 19.404 1.00 9.41 ? 58 VAL A CG2 1 +ATOM 455 N N . ARG A 1 59 ? 25.100 31.620 22.266 1.00 8.88 ? 59 ARG A N 1 +ATOM 456 C CA . ARG A 1 59 ? 23.783 31.655 22.882 1.00 9.95 ? 59 ARG A CA 1 +ATOM 457 C C . ARG A 1 59 ? 23.843 31.140 24.303 1.00 10.14 ? 59 ARG A C 1 +ATOM 458 O O . ARG A 1 59 ? 24.440 30.108 24.556 1.00 10.10 ? 59 ARG A O 1 +ATOM 459 C CB . ARG A 1 59 ? 22.837 30.751 22.074 1.00 13.11 ? 59 ARG A CB 1 +ATOM 460 C CG . ARG A 1 59 ? 21.417 30.569 22.623 1.00 16.80 ? 59 ARG A CG 1 +ATOM 461 C CD . ARG A 1 59 ? 20.521 29.961 21.535 1.00 18.74 ? 59 ARG A CD 1 +ATOM 462 N NE . ARG A 1 59 ? 19.250 29.440 22.032 1.00 20.63 ? 59 ARG A NE 1 +ATOM 463 C CZ . ARG A 1 59 ? 18.147 30.165 22.193 1.00 22.94 ? 59 ARG A CZ 1 +ATOM 464 N NH1 . ARG A 1 59 ? 18.138 31.462 21.894 1.00 22.55 ? 59 ARG A NH1 1 +ATOM 465 N NH2 . ARG A 1 59 ? 17.051 29.594 22.686 1.00 23.68 ? 59 ARG A NH2 1 +ATOM 466 N N . THR A 1 60 ? 23.183 31.849 25.211 1.00 11.23 ? 60 THR A N 1 +ATOM 467 C CA . THR A 1 60 ? 23.120 31.458 26.611 1.00 11.84 ? 60 THR A CA 1 +ATOM 468 C C . THR A 1 60 ? 21.650 31.500 27.005 1.00 11.73 ? 60 THR A C 1 +ATOM 469 O O . THR A 1 60 ? 20.934 32.423 26.620 1.00 13.69 ? 60 THR A O 1 +ATOM 470 C CB . THR A 1 60 ? 23.916 32.451 27.519 1.00 10.13 ? 60 THR A CB 1 +ATOM 471 O OG1 . THR A 1 60 ? 25.320 32.302 27.276 1.00 10.55 ? 60 THR A OG1 1 +ATOM 472 C CG2 . THR A 1 60 ? 23.632 32.181 29.003 1.00 11.01 ? 60 THR A CG2 1 +ATOM 473 N N . THR A 1 61 ? 21.183 30.470 27.706 1.00 11.78 ? 61 THR A N 1 +ATOM 474 C CA . THR A 1 61 ? 19.797 30.413 28.175 1.00 11.54 ? 61 THR A CA 1 +ATOM 475 C C . THR A 1 61 ? 19.831 30.214 29.686 1.00 10.88 ? 61 THR A C 1 +ATOM 476 O O . THR A 1 61 ? 20.734 29.570 30.205 1.00 9.63 ? 61 THR A O 1 +ATOM 477 C CB . THR A 1 61 ? 18.965 29.229 27.539 1.00 12.65 ? 61 THR A CB 1 +ATOM 478 O OG1 . THR A 1 61 ? 19.563 27.976 27.874 1.00 14.13 ? 61 THR A OG1 1 +ATOM 479 C CG2 . THR A 1 61 ? 18.889 29.336 26.012 1.00 14.15 ? 61 THR A CG2 1 +ATOM 480 N N . GLU A 1 62 ? 18.878 30.828 30.382 1.00 12.14 ? 62 GLU A N 1 +ATOM 481 C CA . GLU A 1 62 ? 18.749 30.698 31.833 1.00 12.88 ? 62 GLU A CA 1 +ATOM 482 C C . GLU A 1 62 ? 17.283 30.444 32.100 1.00 12.21 ? 62 GLU A C 1 +ATOM 483 O O . GLU A 1 62 ? 16.450 31.270 31.745 1.00 13.95 ? 62 GLU A O 1 +ATOM 484 C CB . GLU A 1 62 ? 19.151 31.990 32.538 1.00 16.15 ? 62 GLU A CB 1 +ATOM 485 C CG . GLU A 1 62 ? 20.585 32.344 32.326 1.00 23.65 ? 62 GLU A CG 1 +ATOM 486 C CD . GLU A 1 62 ? 20.961 33.649 32.979 1.00 29.90 ? 62 GLU A CD 1 +ATOM 487 O OE1 . GLU A 1 62 ? 20.969 33.703 34.229 1.00 31.84 ? 62 GLU A OE1 1 +ATOM 488 O OE2 . GLU A 1 62 ? 21.258 34.616 32.236 1.00 33.89 ? 62 GLU A OE2 1 +ATOM 489 N N . ILE A 1 63 ? 16.943 29.292 32.657 1.00 10.43 ? 63 ILE A N 1 +ATOM 490 C CA . ILE A 1 63 ? 15.548 29.021 32.946 1.00 11.02 ? 63 ILE A CA 1 +ATOM 491 C C . ILE A 1 63 ? 15.352 28.816 34.446 1.00 11.60 ? 63 ILE A C 1 +ATOM 492 O O . ILE A 1 63 ? 16.286 28.434 35.144 1.00 9.20 ? 63 ILE A O 1 +ATOM 493 C CB . ILE A 1 63 ? 14.976 27.816 32.125 1.00 11.28 ? 63 ILE A CB 1 +ATOM 494 C CG1 . ILE A 1 63 ? 15.717 26.519 32.431 1.00 10.60 ? 63 ILE A CG1 1 +ATOM 495 C CG2 . ILE A 1 63 ? 15.020 28.129 30.638 1.00 11.62 ? 63 ILE A CG2 1 +ATOM 496 C CD1 . ILE A 1 63 ? 15.126 25.293 31.720 1.00 13.40 ? 63 ILE A CD1 1 +ATOM 497 N N . ASN A 1 64 ? 14.184 29.219 34.933 1.00 12.13 ? 64 ASN A N 1 +ATOM 498 C CA . ASN A 1 64 ? 13.824 29.083 36.343 1.00 14.79 ? 64 ASN A CA 1 +ATOM 499 C C . ASN A 1 64 ? 12.451 28.441 36.375 1.00 13.29 ? 64 ASN A C 1 +ATOM 500 O O . ASN A 1 64 ? 11.490 28.976 35.802 1.00 13.29 ? 64 ASN A O 1 +ATOM 501 C CB . ASN A 1 64 ? 13.732 30.450 37.054 1.00 16.87 ? 64 ASN A CB 1 +ATOM 502 C CG . ASN A 1 64 ? 15.079 31.089 37.279 1.00 20.91 ? 64 ASN A CG 1 +ATOM 503 O OD1 . ASN A 1 64 ? 15.775 30.764 38.238 1.00 22.91 ? 64 ASN A OD1 1 +ATOM 504 N ND2 . ASN A 1 64 ? 15.459 32.007 36.393 1.00 22.20 ? 64 ASN A ND2 1 +ATOM 505 N N . PHE A 1 65 ? 12.347 27.301 37.044 1.00 12.90 ? 65 PHE A N 1 +ATOM 506 C CA . PHE A 1 65 ? 11.058 26.641 37.132 1.00 12.63 ? 65 PHE A CA 1 +ATOM 507 C C . PHE A 1 65 ? 10.858 25.841 38.410 1.00 13.07 ? 65 PHE A C 1 +ATOM 508 O O . PHE A 1 65 ? 11.811 25.531 39.121 1.00 12.50 ? 65 PHE A O 1 +ATOM 509 C CB . PHE A 1 65 ? 10.829 25.731 35.922 1.00 11.31 ? 65 PHE A CB 1 +ATOM 510 C CG . PHE A 1 65 ? 11.794 24.586 35.825 1.00 12.32 ? 65 PHE A CG 1 +ATOM 511 C CD1 . PHE A 1 65 ? 11.549 23.386 36.494 1.00 10.31 ? 65 PHE A CD1 1 +ATOM 512 C CD2 . PHE A 1 65 ? 12.947 24.706 35.070 1.00 11.23 ? 65 PHE A CD2 1 +ATOM 513 C CE1 . PHE A 1 65 ? 12.441 22.329 36.413 1.00 11.00 ? 65 PHE A CE1 1 +ATOM 514 C CE2 . PHE A 1 65 ? 13.847 23.645 34.984 1.00 11.69 ? 65 PHE A CE2 1 +ATOM 515 C CZ . PHE A 1 65 ? 13.593 22.461 35.655 1.00 12.20 ? 65 PHE A CZ 1 +ATOM 516 N N . LYS A 1 66 ? 9.599 25.560 38.713 1.00 13.15 ? 66 LYS A N 1 +ATOM 517 C CA . LYS A 1 66 ? 9.251 24.735 39.849 1.00 13.41 ? 66 LYS A CA 1 +ATOM 518 C C . LYS A 1 66 ? 8.555 23.552 39.178 1.00 12.17 ? 66 LYS A C 1 +ATOM 519 O O . LYS A 1 66 ? 7.763 23.747 38.251 1.00 12.93 ? 66 LYS A O 1 +ATOM 520 C CB . LYS A 1 66 ? 8.313 25.498 40.800 1.00 16.68 ? 66 LYS A CB 1 +ATOM 521 C CG . LYS A 1 66 ? 7.722 24.639 41.907 1.00 24.60 ? 66 LYS A CG 1 +ATOM 522 C CD . LYS A 1 66 ? 7.391 25.453 43.165 1.00 28.53 ? 66 LYS A CD 1 +ATOM 523 C CE . LYS A 1 66 ? 6.664 24.585 44.213 1.00 32.17 ? 66 LYS A CE 1 +ATOM 524 N NZ . LYS A 1 66 ? 7.393 23.332 44.604 1.00 32.54 ? 66 LYS A NZ 1 +ATOM 525 N N . VAL A 1 67 ? 8.918 22.329 39.562 1.00 11.82 ? 67 VAL A N 1 +ATOM 526 C CA . VAL A 1 67 ? 8.295 21.141 38.975 1.00 10.93 ? 67 VAL A CA 1 +ATOM 527 C C . VAL A 1 67 ? 6.783 21.174 39.226 1.00 11.97 ? 67 VAL A C 1 +ATOM 528 O O . VAL A 1 67 ? 6.343 21.480 40.342 1.00 13.54 ? 67 VAL A O 1 +ATOM 529 C CB . VAL A 1 67 ? 8.908 19.827 39.541 1.00 10.09 ? 67 VAL A CB 1 +ATOM 530 C CG1 . VAL A 1 67 ? 8.271 18.617 38.883 1.00 10.96 ? 67 VAL A CG1 1 +ATOM 531 C CG2 . VAL A 1 67 ? 10.410 19.808 39.320 1.00 10.21 ? 67 VAL A CG2 1 +ATOM 532 N N . GLY A 1 68 ? 6.006 20.965 38.160 1.00 9.80 ? 68 GLY A N 1 +ATOM 533 C CA . GLY A 1 68 ? 4.557 20.962 38.265 1.00 9.33 ? 68 GLY A CA 1 +ATOM 534 C C . GLY A 1 68 ? 3.887 22.298 38.031 1.00 10.60 ? 68 GLY A C 1 +ATOM 535 O O . GLY A 1 68 ? 2.653 22.389 38.039 1.00 11.93 ? 68 GLY A O 1 +ATOM 536 N N . GLU A 1 69 ? 4.688 23.337 37.809 1.00 11.12 ? 69 GLU A N 1 +ATOM 537 C CA . GLU A 1 69 ? 4.165 24.682 37.553 1.00 12.64 ? 69 GLU A CA 1 +ATOM 538 C C . GLU A 1 69 ? 4.604 25.185 36.184 1.00 13.09 ? 69 GLU A C 1 +ATOM 539 O O . GLU A 1 69 ? 5.774 25.107 35.820 1.00 12.17 ? 69 GLU A O 1 +ATOM 540 C CB . GLU A 1 69 ? 4.578 25.642 38.668 1.00 12.20 ? 69 GLU A CB 1 +ATOM 541 C CG . GLU A 1 69 ? 3.857 25.282 39.964 1.00 17.44 ? 69 GLU A CG 1 +ATOM 542 C CD . GLU A 1 69 ? 4.116 26.211 41.138 1.00 21.02 ? 69 GLU A CD 1 +ATOM 543 O OE1 . GLU A 1 69 ? 4.496 27.384 40.945 1.00 21.43 ? 69 GLU A OE1 1 +ATOM 544 O OE2 . GLU A 1 69 ? 3.902 25.753 42.282 1.00 23.44 ? 69 GLU A OE2 1 +ATOM 545 N N . GLU A 1 70 ? 3.633 25.622 35.397 1.00 14.53 ? 70 GLU A N 1 +ATOM 546 C CA . GLU A 1 70 ? 3.912 26.102 34.059 1.00 15.80 ? 70 GLU A CA 1 +ATOM 547 C C . GLU A 1 70 ? 4.816 27.329 34.007 1.00 13.72 ? 70 GLU A C 1 +ATOM 548 O O . GLU A 1 70 ? 4.761 28.208 34.863 1.00 13.66 ? 70 GLU A O 1 +ATOM 549 C CB . GLU A 1 70 ? 2.606 26.359 33.320 1.00 19.99 ? 70 GLU A CB 1 +ATOM 550 C CG . GLU A 1 70 ? 2.814 26.634 31.851 1.00 28.23 ? 70 GLU A CG 1 +ATOM 551 C CD . GLU A 1 70 ? 1.518 26.678 31.097 1.00 32.73 ? 70 GLU A CD 1 +ATOM 552 O OE1 . GLU A 1 70 ? 0.975 25.589 30.789 1.00 35.76 ? 70 GLU A OE1 1 +ATOM 553 O OE2 . GLU A 1 70 ? 1.045 27.802 30.823 1.00 35.75 ? 70 GLU A OE2 1 +ATOM 554 N N . PHE A 1 71 ? 5.713 27.340 33.028 1.00 12.80 ? 71 PHE A N 1 +ATOM 555 C CA . PHE A 1 71 ? 6.638 28.448 32.837 1.00 12.36 ? 71 PHE A CA 1 +ATOM 556 C C . PHE A 1 71 ? 6.856 28.678 31.350 1.00 12.97 ? 71 PHE A C 1 +ATOM 557 O O . PHE A 1 71 ? 6.382 27.917 30.516 1.00 12.54 ? 71 PHE A O 1 +ATOM 558 C CB . PHE A 1 71 ? 7.975 28.243 33.589 1.00 10.02 ? 71 PHE A CB 1 +ATOM 559 C CG . PHE A 1 71 ? 8.851 27.148 33.033 1.00 10.48 ? 71 PHE A CG 1 +ATOM 560 C CD1 . PHE A 1 71 ? 8.549 25.815 33.256 1.00 9.95 ? 71 PHE A CD1 1 +ATOM 561 C CD2 . PHE A 1 71 ? 10.006 27.459 32.331 1.00 9.29 ? 71 PHE A CD2 1 +ATOM 562 C CE1 . PHE A 1 71 ? 9.380 24.811 32.793 1.00 9.74 ? 71 PHE A CE1 1 +ATOM 563 C CE2 . PHE A 1 71 ? 10.832 26.464 31.868 1.00 9.51 ? 71 PHE A CE2 1 +ATOM 564 C CZ . PHE A 1 71 ? 10.518 25.136 32.102 1.00 8.47 ? 71 PHE A CZ 1 +ATOM 565 N N . GLU A 1 72 ? 7.581 29.733 31.028 1.00 15.04 ? 72 GLU A N 1 +ATOM 566 C CA . GLU A 1 72 ? 7.826 30.063 29.644 1.00 17.19 ? 72 GLU A CA 1 +ATOM 567 C C . GLU A 1 72 ? 9.323 30.036 29.357 1.00 15.53 ? 72 GLU A C 1 +ATOM 568 O O . GLU A 1 72 ? 10.130 30.511 30.158 1.00 16.16 ? 72 GLU A O 1 +ATOM 569 C CB . GLU A 1 72 ? 7.248 31.448 29.379 1.00 22.03 ? 72 GLU A CB 1 +ATOM 570 C CG . GLU A 1 72 ? 6.700 31.658 28.002 1.00 30.80 ? 72 GLU A CG 1 +ATOM 571 C CD . GLU A 1 72 ? 6.157 33.060 27.827 1.00 34.75 ? 72 GLU A CD 1 +ATOM 572 O OE1 . GLU A 1 72 ? 5.014 33.309 28.276 1.00 35.88 ? 72 GLU A OE1 1 +ATOM 573 O OE2 . GLU A 1 72 ? 6.885 33.912 27.255 1.00 38.91 ? 72 GLU A OE2 1 +ATOM 574 N N . GLU A 1 73 ? 9.691 29.378 28.263 1.00 13.46 ? 73 GLU A N 1 +ATOM 575 C CA . GLU A 1 73 ? 11.088 29.302 27.836 1.00 13.89 ? 73 GLU A CA 1 +ATOM 576 C C . GLU A 1 73 ? 11.083 29.318 26.301 1.00 13.70 ? 73 GLU A C 1 +ATOM 577 O O . GLU A 1 73 ? 10.159 29.859 25.690 1.00 13.63 ? 73 GLU A O 1 +ATOM 578 C CB . GLU A 1 73 ? 11.780 28.032 28.379 1.00 12.63 ? 73 GLU A CB 1 +ATOM 579 C CG . GLU A 1 73 ? 11.145 26.706 27.986 1.00 10.55 ? 73 GLU A CG 1 +ATOM 580 C CD . GLU A 1 73 ? 11.997 25.499 28.366 1.00 8.94 ? 73 GLU A CD 1 +ATOM 581 O OE1 . GLU A 1 73 ? 13.191 25.650 28.642 1.00 12.29 ? 73 GLU A OE1 1 +ATOM 582 O OE2 . GLU A 1 73 ? 11.485 24.374 28.363 1.00 10.37 ? 73 GLU A OE2 1 +ATOM 583 N N . GLN A 1 74 ? 12.115 28.751 25.685 1.00 13.09 ? 74 GLN A N 1 +ATOM 584 C CA . GLN A 1 74 ? 12.187 28.691 24.239 1.00 13.16 ? 74 GLN A CA 1 +ATOM 585 C C . GLN A 1 74 ? 12.618 27.315 23.806 1.00 12.86 ? 74 GLN A C 1 +ATOM 586 O O . GLN A 1 74 ? 13.290 26.596 24.552 1.00 13.17 ? 74 GLN A O 1 +ATOM 587 C CB . GLN A 1 74 ? 13.218 29.685 23.706 1.00 15.91 ? 74 GLN A CB 1 +ATOM 588 C CG . GLN A 1 74 ? 12.803 31.133 23.779 1.00 19.68 ? 74 GLN A CG 1 +ATOM 589 C CD . GLN A 1 74 ? 13.827 32.066 23.159 1.00 21.00 ? 74 GLN A CD 1 +ATOM 590 O OE1 . GLN A 1 74 ? 15.010 31.730 23.024 1.00 22.37 ? 74 GLN A OE1 1 +ATOM 591 N NE2 . GLN A 1 74 ? 13.373 33.247 22.774 1.00 24.07 ? 74 GLN A NE2 1 +ATOM 592 N N . THR A 1 75 ? 12.229 26.935 22.600 1.00 10.98 ? 75 THR A N 1 +ATOM 593 C CA . THR A 1 75 ? 12.664 25.656 22.056 1.00 11.83 ? 75 THR A CA 1 +ATOM 594 C C . THR A 1 75 ? 14.162 25.828 21.729 1.00 11.24 ? 75 THR A C 1 +ATOM 595 O O . THR A 1 75 ? 14.681 26.951 21.764 1.00 9.95 ? 75 THR A O 1 +ATOM 596 C CB . THR A 1 75 ? 11.895 25.325 20.757 1.00 11.93 ? 75 THR A CB 1 +ATOM 597 O OG1 . THR A 1 75 ? 12.123 26.366 19.795 1.00 13.31 ? 75 THR A OG1 1 +ATOM 598 C CG2 . THR A 1 75 ? 10.396 25.202 21.042 1.00 13.29 ? 75 THR A CG2 1 +ATOM 599 N N . VAL A 1 76 ? 14.841 24.731 21.377 1.00 13.77 ? 76 VAL A N 1 +ATOM 600 C CA . VAL A 1 76 ? 16.278 24.762 21.049 1.00 14.39 ? 76 VAL A CA 1 +ATOM 601 C C . VAL A 1 76 ? 16.612 25.734 19.914 1.00 12.97 ? 76 VAL A C 1 +ATOM 602 O O . VAL A 1 76 ? 17.639 26.407 19.956 1.00 13.75 ? 76 VAL A O 1 +ATOM 603 C CB . VAL A 1 76 ? 16.827 23.351 20.680 1.00 15.44 ? 76 VAL A CB 1 +ATOM 604 C CG1 . VAL A 1 76 ? 18.332 23.314 20.844 1.00 17.74 ? 76 VAL A CG1 1 +ATOM 605 C CG2 . VAL A 1 76 ? 16.218 22.293 21.548 1.00 19.99 ? 76 VAL A CG2 1 +ATOM 606 N N . ASP A 1 77 ? 15.730 25.824 18.921 1.00 13.67 ? 77 ASP A N 1 +ATOM 607 C CA . ASP A 1 77 ? 15.933 26.727 17.789 1.00 14.47 ? 77 ASP A CA 1 +ATOM 608 C C . ASP A 1 77 ? 15.486 28.172 18.061 1.00 15.23 ? 77 ASP A C 1 +ATOM 609 O O . ASP A 1 77 ? 15.461 29.002 17.153 1.00 14.90 ? 77 ASP A O 1 +ATOM 610 C CB . ASP A 1 77 ? 15.301 26.158 16.503 1.00 15.63 ? 77 ASP A CB 1 +ATOM 611 C CG . ASP A 1 77 ? 13.790 26.007 16.585 1.00 15.92 ? 77 ASP A CG 1 +ATOM 612 O OD1 . ASP A 1 77 ? 13.260 25.470 17.586 1.00 14.64 ? 77 ASP A OD1 1 +ATOM 613 O OD2 . ASP A 1 77 ? 13.123 26.409 15.613 1.00 17.79 ? 77 ASP A OD2 1 +ATOM 614 N N . GLY A 1 78 ? 15.095 28.445 19.312 1.00 15.17 ? 78 GLY A N 1 +ATOM 615 C CA . GLY A 1 78 ? 14.709 29.790 19.726 1.00 15.90 ? 78 GLY A CA 1 +ATOM 616 C C . GLY A 1 78 ? 13.268 30.281 19.701 1.00 16.89 ? 78 GLY A C 1 +ATOM 617 O O . GLY A 1 78 ? 13.038 31.489 19.790 1.00 19.37 ? 78 GLY A O 1 +ATOM 618 N N . ARG A 1 79 ? 12.292 29.389 19.620 1.00 16.76 ? 79 ARG A N 1 +ATOM 619 C CA . ARG A 1 79 ? 10.896 29.822 19.587 1.00 18.08 ? 79 ARG A CA 1 +ATOM 620 C C . ARG A 1 79 ? 10.229 29.768 20.961 1.00 16.55 ? 79 ARG A C 1 +ATOM 621 O O . ARG A 1 79 ? 10.379 28.787 21.680 1.00 16.57 ? 79 ARG A O 1 +ATOM 622 C CB . ARG A 1 79 ? 10.112 28.961 18.604 1.00 20.74 ? 79 ARG A CB 1 +ATOM 623 C CG . ARG A 1 79 ? 10.667 28.997 17.194 1.00 25.89 ? 79 ARG A CG 1 +ATOM 624 C CD . ARG A 1 79 ? 9.986 27.976 16.310 1.00 29.77 ? 79 ARG A CD 1 +ATOM 625 N NE . ARG A 1 79 ? 10.144 26.626 16.842 1.00 34.52 ? 79 ARG A NE 1 +ATOM 626 C CZ . ARG A 1 79 ? 10.128 25.516 16.109 1.00 35.90 ? 79 ARG A CZ 1 +ATOM 627 N NH1 . ARG A 1 79 ? 9.971 25.580 14.789 1.00 37.70 ? 79 ARG A NH1 1 +ATOM 628 N NH2 . ARG A 1 79 ? 10.266 24.337 16.702 1.00 35.58 ? 79 ARG A NH2 1 +ATOM 629 N N . PRO A 1 80 ? 9.501 30.830 21.352 1.00 15.98 ? 80 PRO A N 1 +ATOM 630 C CA . PRO A 1 80 ? 8.819 30.867 22.651 1.00 15.47 ? 80 PRO A CA 1 +ATOM 631 C C . PRO A 1 80 ? 7.825 29.725 22.833 1.00 14.23 ? 80 PRO A C 1 +ATOM 632 O O . PRO A 1 80 ? 7.058 29.393 21.926 1.00 14.56 ? 80 PRO A O 1 +ATOM 633 C CB . PRO A 1 80 ? 8.100 32.220 22.628 1.00 15.48 ? 80 PRO A CB 1 +ATOM 634 C CG . PRO A 1 80 ? 9.010 33.057 21.846 1.00 18.18 ? 80 PRO A CG 1 +ATOM 635 C CD . PRO A 1 80 ? 9.418 32.145 20.696 1.00 17.08 ? 80 PRO A CD 1 +ATOM 636 N N . CYS A 1 81 ? 7.817 29.148 24.028 1.00 13.52 ? 81 CYS A N 1 +ATOM 637 C CA . CYS A 1 81 ? 6.914 28.055 24.331 1.00 12.41 ? 81 CYS A CA 1 +ATOM 638 C C . CYS A 1 81 ? 6.548 28.054 25.811 1.00 12.52 ? 81 CYS A C 1 +ATOM 639 O O . CYS A 1 81 ? 7.202 28.718 26.624 1.00 11.74 ? 81 CYS A O 1 +ATOM 640 C CB . CYS A 1 81 ? 7.563 26.705 23.950 1.00 11.59 ? 81 CYS A CB 1 +ATOM 641 S SG . CYS A 1 81 ? 9.063 26.255 24.894 1.00 12.86 ? 81 CYS A SG 1 +ATOM 642 N N . LYS A 1 82 ? 5.448 27.379 26.121 1.00 13.86 ? 82 LYS A N 1 +ATOM 643 C CA . LYS A 1 82 ? 4.988 27.197 27.492 1.00 14.38 ? 82 LYS A CA 1 +ATOM 644 C C . LYS A 1 82 ? 5.436 25.779 27.839 1.00 13.51 ? 82 LYS A C 1 +ATOM 645 O O . LYS A 1 82 ? 5.227 24.842 27.063 1.00 12.69 ? 82 LYS A O 1 +ATOM 646 C CB . LYS A 1 82 ? 3.473 27.299 27.589 1.00 18.36 ? 82 LYS A CB 1 +ATOM 647 C CG . LYS A 1 82 ? 2.940 28.716 27.584 1.00 26.02 ? 82 LYS A CG 1 +ATOM 648 C CD . LYS A 1 82 ? 3.353 29.506 28.826 1.00 31.13 ? 82 LYS A CD 1 +ATOM 649 C CE . LYS A 1 82 ? 2.686 30.894 28.832 1.00 35.39 ? 82 LYS A CE 1 +ATOM 650 N NZ . LYS A 1 82 ? 2.868 31.652 30.120 1.00 37.63 ? 82 LYS A NZ 1 +ATOM 651 N N . SER A 1 83 ? 6.110 25.638 28.974 1.00 11.15 ? 83 SER A N 1 +ATOM 652 C CA . SER A 1 83 ? 6.624 24.352 29.397 1.00 10.10 ? 83 SER A CA 1 +ATOM 653 C C . SER A 1 83 ? 6.083 23.931 30.752 1.00 11.16 ? 83 SER A C 1 +ATOM 654 O O . SER A 1 83 ? 5.721 24.769 31.575 1.00 10.21 ? 83 SER A O 1 +ATOM 655 C CB . SER A 1 83 ? 8.149 24.418 29.446 1.00 10.30 ? 83 SER A CB 1 +ATOM 656 O OG . SER A 1 83 ? 8.686 24.518 28.132 1.00 11.50 ? 83 SER A OG 1 +ATOM 657 N N . LEU A 1 84 ? 6.028 22.620 30.954 1.00 11.17 ? 84 LEU A N 1 +ATOM 658 C CA . LEU A 1 84 ? 5.557 22.016 32.192 1.00 11.84 ? 84 LEU A CA 1 +ATOM 659 C C . LEU A 1 84 ? 6.427 20.793 32.470 1.00 10.42 ? 84 LEU A C 1 +ATOM 660 O O . LEU A 1 84 ? 6.444 19.846 31.684 1.00 11.20 ? 84 LEU A O 1 +ATOM 661 C CB . LEU A 1 84 ? 4.091 21.576 32.067 1.00 13.44 ? 84 LEU A CB 1 +ATOM 662 C CG . LEU A 1 84 ? 3.552 20.784 33.270 1.00 15.74 ? 84 LEU A CG 1 +ATOM 663 C CD1 . LEU A 1 84 ? 3.515 21.683 34.484 1.00 16.96 ? 84 LEU A CD1 1 +ATOM 664 C CD2 . LEU A 1 84 ? 2.178 20.231 32.982 1.00 18.76 ? 84 LEU A CD2 1 +ATOM 665 N N . VAL A 1 85 ? 7.146 20.828 33.589 1.00 9.60 ? 85 VAL A N 1 +ATOM 666 C CA . VAL A 1 85 ? 8.028 19.738 34.006 1.00 9.50 ? 85 VAL A CA 1 +ATOM 667 C C . VAL A 1 85 ? 7.344 18.878 35.082 1.00 9.74 ? 85 VAL A C 1 +ATOM 668 O O . VAL A 1 85 ? 6.680 19.404 35.985 1.00 9.28 ? 85 VAL A O 1 +ATOM 669 C CB . VAL A 1 85 ? 9.384 20.291 34.598 1.00 8.89 ? 85 VAL A CB 1 +ATOM 670 C CG1 . VAL A 1 85 ? 10.327 19.140 34.970 1.00 8.20 ? 85 VAL A CG1 1 +ATOM 671 C CG2 . VAL A 1 85 ? 10.062 21.227 33.612 1.00 8.48 ? 85 VAL A CG2 1 +ATOM 672 N N . LYS A 1 86 ? 7.504 17.563 34.971 1.00 9.96 ? 86 LYS A N 1 +ATOM 673 C CA . LYS A 1 86 ? 6.946 16.621 35.945 1.00 11.92 ? 86 LYS A CA 1 +ATOM 674 C C . LYS A 1 86 ? 8.003 15.558 36.247 1.00 11.88 ? 86 LYS A C 1 +ATOM 675 O O . LYS A 1 86 ? 8.917 15.340 35.453 1.00 11.00 ? 86 LYS A O 1 +ATOM 676 C CB . LYS A 1 86 ? 5.700 15.911 35.385 1.00 12.40 ? 86 LYS A CB 1 +ATOM 677 C CG . LYS A 1 86 ? 4.538 16.819 35.058 1.00 16.01 ? 86 LYS A CG 1 +ATOM 678 C CD . LYS A 1 86 ? 3.333 16.017 34.559 1.00 21.36 ? 86 LYS A CD 1 +ATOM 679 C CE . LYS A 1 86 ? 2.140 16.939 34.345 1.00 23.23 ? 86 LYS A CE 1 +ATOM 680 N NZ . LYS A 1 86 ? 0.919 16.212 33.929 1.00 28.41 ? 86 LYS A NZ 1 +ATOM 681 N N . TRP A 1 87 ? 7.868 14.889 37.386 1.00 10.75 ? 87 TRP A N 1 +ATOM 682 C CA . TRP A 1 87 ? 8.775 13.811 37.738 1.00 9.53 ? 87 TRP A CA 1 +ATOM 683 C C . TRP A 1 87 ? 8.238 12.559 37.052 1.00 9.89 ? 87 TRP A C 1 +ATOM 684 O O . TRP A 1 87 ? 7.144 12.107 37.370 1.00 11.80 ? 87 TRP A O 1 +ATOM 685 C CB . TRP A 1 87 ? 8.791 13.569 39.268 1.00 8.76 ? 87 TRP A CB 1 +ATOM 686 C CG . TRP A 1 87 ? 9.494 14.641 40.062 1.00 8.86 ? 87 TRP A CG 1 +ATOM 687 C CD1 . TRP A 1 87 ? 8.923 15.525 40.939 1.00 8.80 ? 87 TRP A CD1 1 +ATOM 688 C CD2 . TRP A 1 87 ? 10.889 14.990 39.992 1.00 9.42 ? 87 TRP A CD2 1 +ATOM 689 N NE1 . TRP A 1 87 ? 9.872 16.410 41.400 1.00 8.01 ? 87 TRP A NE1 1 +ATOM 690 C CE2 . TRP A 1 87 ? 11.086 16.103 40.835 1.00 10.85 ? 87 TRP A CE2 1 +ATOM 691 C CE3 . TRP A 1 87 ? 11.985 14.475 39.283 1.00 9.60 ? 87 TRP A CE3 1 +ATOM 692 C CZ2 . TRP A 1 87 ? 12.340 16.716 40.994 1.00 11.45 ? 87 TRP A CZ2 1 +ATOM 693 C CZ3 . TRP A 1 87 ? 13.230 15.084 39.438 1.00 10.72 ? 87 TRP A CZ3 1 +ATOM 694 C CH2 . TRP A 1 87 ? 13.395 16.192 40.289 1.00 11.78 ? 87 TRP A CH2 1 +ATOM 695 N N . GLU A 1 88 ? 8.954 12.040 36.064 1.00 9.93 ? 88 GLU A N 1 +ATOM 696 C CA . GLU A 1 88 ? 8.526 10.807 35.416 1.00 11.30 ? 88 GLU A CA 1 +ATOM 697 C C . GLU A 1 88 ? 8.826 9.726 36.448 1.00 11.75 ? 88 GLU A C 1 +ATOM 698 O O . GLU A 1 88 ? 8.068 8.784 36.623 1.00 12.78 ? 88 GLU A O 1 +ATOM 699 C CB . GLU A 1 88 ? 9.337 10.541 34.156 1.00 13.50 ? 88 GLU A CB 1 +ATOM 700 C CG . GLU A 1 88 ? 8.917 9.261 33.454 1.00 18.67 ? 88 GLU A CG 1 +ATOM 701 C CD . GLU A 1 88 ? 9.756 8.958 32.226 1.00 23.49 ? 88 GLU A CD 1 +ATOM 702 O OE1 . GLU A 1 88 ? 9.581 9.650 31.205 1.00 26.53 ? 88 GLU A OE1 1 +ATOM 703 O OE2 . GLU A 1 88 ? 10.587 8.025 32.276 1.00 26.54 ? 88 GLU A OE2 1 +ATOM 704 N N . SER A 1 89 ? 9.972 9.870 37.103 1.00 11.49 ? 89 SER A N 1 +ATOM 705 C CA . SER A 1 89 ? 10.402 8.954 38.158 1.00 11.10 ? 89 SER A CA 1 +ATOM 706 C C . SER A 1 89 ? 11.206 9.776 39.163 1.00 11.14 ? 89 SER A C 1 +ATOM 707 O O . SER A 1 89 ? 11.397 10.983 38.979 1.00 9.92 ? 89 SER A O 1 +ATOM 708 C CB . SER A 1 89 ? 11.221 7.778 37.604 1.00 12.43 ? 89 SER A CB 1 +ATOM 709 O OG . SER A 1 89 ? 12.396 8.215 36.947 1.00 14.39 ? 89 SER A OG 1 +ATOM 710 N N . GLU A 1 90 ? 11.674 9.130 40.227 1.00 10.17 ? 90 GLU A N 1 +ATOM 711 C CA . GLU A 1 90 ? 12.433 9.826 41.254 1.00 10.83 ? 90 GLU A CA 1 +ATOM 712 C C . GLU A 1 90 ? 13.657 10.629 40.772 1.00 9.86 ? 90 GLU A C 1 +ATOM 713 O O . GLU A 1 90 ? 13.932 11.715 41.289 1.00 10.30 ? 90 GLU A O 1 +ATOM 714 C CB . GLU A 1 90 ? 12.858 8.846 42.348 1.00 11.92 ? 90 GLU A CB 1 +ATOM 715 C CG . GLU A 1 90 ? 13.536 9.572 43.487 1.00 16.53 ? 90 GLU A CG 1 +ATOM 716 C CD . GLU A 1 90 ? 13.912 8.671 44.644 1.00 19.80 ? 90 GLU A CD 1 +ATOM 717 O OE1 . GLU A 1 90 ? 14.122 7.464 44.426 1.00 21.18 ? 90 GLU A OE1 1 +ATOM 718 O OE2 . GLU A 1 90 ? 14.012 9.187 45.774 1.00 22.91 ? 90 GLU A OE2 1 +ATOM 719 N N . ASN A 1 91 ? 14.376 10.102 39.783 1.00 8.79 ? 91 ASN A N 1 +ATOM 720 C CA . ASN A 1 91 ? 15.578 10.767 39.274 1.00 10.50 ? 91 ASN A CA 1 +ATOM 721 C C . ASN A 1 91 ? 15.455 11.289 37.855 1.00 9.69 ? 91 ASN A C 1 +ATOM 722 O O . ASN A 1 91 ? 16.467 11.627 37.246 1.00 7.10 ? 91 ASN A O 1 +ATOM 723 C CB . ASN A 1 91 ? 16.760 9.798 39.305 1.00 14.33 ? 91 ASN A CB 1 +ATOM 724 C CG . ASN A 1 91 ? 17.064 9.307 40.693 1.00 17.71 ? 91 ASN A CG 1 +ATOM 725 O OD1 . ASN A 1 91 ? 17.445 10.087 41.560 1.00 20.87 ? 91 ASN A OD1 1 +ATOM 726 N ND2 . ASN A 1 91 ? 16.855 8.016 40.928 1.00 19.39 ? 91 ASN A ND2 1 +ATOM 727 N N . LYS A 1 92 ? 14.230 11.387 37.352 1.00 8.60 ? 92 LYS A N 1 +ATOM 728 C CA . LYS A 1 92 ? 14.016 11.835 35.981 1.00 8.88 ? 92 LYS A CA 1 +ATOM 729 C C . LYS A 1 92 ? 12.861 12.812 35.807 1.00 8.61 ? 92 LYS A C 1 +ATOM 730 O O . LYS A 1 92 ? 11.721 12.511 36.168 1.00 8.95 ? 92 LYS A O 1 +ATOM 731 C CB . LYS A 1 92 ? 13.781 10.626 35.078 1.00 9.10 ? 92 LYS A CB 1 +ATOM 732 C CG . LYS A 1 92 ? 13.566 10.996 33.618 1.00 11.95 ? 92 LYS A CG 1 +ATOM 733 C CD . LYS A 1 92 ? 13.467 9.762 32.759 1.00 14.04 ? 92 LYS A CD 1 +ATOM 734 C CE . LYS A 1 92 ? 13.333 10.124 31.299 1.00 16.33 ? 92 LYS A CE 1 +ATOM 735 N NZ . LYS A 1 92 ? 13.129 8.884 30.506 1.00 17.37 ? 92 LYS A NZ 1 +ATOM 736 N N . MET A 1 93 ? 13.172 13.988 35.268 1.00 7.58 ? 93 MET A N 1 +ATOM 737 C CA . MET A 1 93 ? 12.159 14.985 34.995 1.00 8.21 ? 93 MET A CA 1 +ATOM 738 C C . MET A 1 93 ? 11.915 15.038 33.496 1.00 9.18 ? 93 MET A C 1 +ATOM 739 O O . MET A 1 93 ? 12.833 14.838 32.690 1.00 7.74 ? 93 MET A O 1 +ATOM 740 C CB . MET A 1 93 ? 12.565 16.359 35.523 1.00 9.68 ? 93 MET A CB 1 +ATOM 741 C CG . MET A 1 93 ? 13.826 16.925 34.937 1.00 13.16 ? 93 MET A CG 1 +ATOM 742 S SD . MET A 1 93 ? 14.238 18.543 35.628 1.00 17.49 ? 93 MET A SD 1 +ATOM 743 C CE . MET A 1 93 ? 15.009 18.106 37.076 1.00 18.53 ? 93 MET A CE 1 +ATOM 744 N N . VAL A 1 94 ? 10.658 15.239 33.128 1.00 9.48 ? 94 VAL A N 1 +ATOM 745 C CA . VAL A 1 94 ? 10.266 15.334 31.726 1.00 9.55 ? 94 VAL A CA 1 +ATOM 746 C C . VAL A 1 94 ? 9.516 16.639 31.528 1.00 10.10 ? 94 VAL A C 1 +ATOM 747 O O . VAL A 1 94 ? 8.683 17.024 32.364 1.00 9.47 ? 94 VAL A O 1 +ATOM 748 C CB . VAL A 1 94 ? 9.371 14.164 31.315 1.00 11.05 ? 94 VAL A CB 1 +ATOM 749 C CG1 . VAL A 1 94 ? 8.878 14.354 29.878 1.00 12.88 ? 94 VAL A CG1 1 +ATOM 750 C CG2 . VAL A 1 94 ? 10.147 12.866 31.420 1.00 14.00 ? 94 VAL A CG2 1 +ATOM 751 N N . CYS A 1 95 ? 9.802 17.312 30.413 1.00 9.49 ? 95 CYS A N 1 +ATOM 752 C CA . CYS A 1 95 ? 9.169 18.582 30.094 1.00 8.82 ? 95 CYS A CA 1 +ATOM 753 C C . CYS A 1 95 ? 8.431 18.559 28.758 1.00 11.70 ? 95 CYS A C 1 +ATOM 754 O O . CYS A 1 95 ? 9.014 18.215 27.723 1.00 12.29 ? 95 CYS A O 1 +ATOM 755 C CB . CYS A 1 95 ? 10.229 19.679 30.059 1.00 8.79 ? 95 CYS A CB 1 +ATOM 756 S SG . CYS A 1 95 ? 9.620 21.322 29.690 1.00 10.97 ? 95 CYS A SG 1 +ATOM 757 N N . GLU A 1 96 ? 7.149 18.902 28.791 1.00 10.87 ? 96 GLU A N 1 +ATOM 758 C CA . GLU A 1 96 ? 6.342 18.962 27.587 1.00 14.78 ? 96 GLU A CA 1 +ATOM 759 C C . GLU A 1 96 ? 6.267 20.439 27.182 1.00 13.83 ? 96 GLU A C 1 +ATOM 760 O O . GLU A 1 96 ? 6.044 21.311 28.030 1.00 12.79 ? 96 GLU A O 1 +ATOM 761 C CB . GLU A 1 96 ? 4.957 18.397 27.885 1.00 20.21 ? 96 GLU A CB 1 +ATOM 762 C CG . GLU A 1 96 ? 3.981 18.432 26.726 1.00 32.46 ? 96 GLU A CG 1 +ATOM 763 C CD . GLU A 1 96 ? 2.646 17.765 27.065 1.00 38.97 ? 96 GLU A CD 1 +ATOM 764 O OE1 . GLU A 1 96 ? 2.053 18.108 28.128 1.00 42.61 ? 96 GLU A OE1 1 +ATOM 765 O OE2 . GLU A 1 96 ? 2.201 16.892 26.271 1.00 42.17 ? 96 GLU A OE2 1 +ATOM 766 N N . GLN A 1 97 ? 6.513 20.725 25.903 1.00 13.39 ? 97 GLN A N 1 +ATOM 767 C CA . GLN A 1 97 ? 6.489 22.100 25.402 1.00 13.55 ? 97 GLN A CA 1 +ATOM 768 C C . GLN A 1 97 ? 5.357 22.334 24.400 1.00 15.88 ? 97 GLN A C 1 +ATOM 769 O O . GLN A 1 97 ? 5.013 21.455 23.591 1.00 16.25 ? 97 GLN A O 1 +ATOM 770 C CB . GLN A 1 97 ? 7.823 22.465 24.747 1.00 12.20 ? 97 GLN A CB 1 +ATOM 771 C CG . GLN A 1 97 ? 9.033 22.324 25.650 1.00 12.55 ? 97 GLN A CG 1 +ATOM 772 C CD . GLN A 1 97 ? 10.321 22.613 24.927 1.00 14.20 ? 97 GLN A CD 1 +ATOM 773 O OE1 . GLN A 1 97 ? 10.478 22.288 23.749 1.00 12.94 ? 97 GLN A OE1 1 +ATOM 774 N NE2 . GLN A 1 97 ? 11.260 23.235 25.627 1.00 14.75 ? 97 GLN A NE2 1 +ATOM 775 N N . LYS A 1 98 ? 4.801 23.541 24.450 1.00 17.30 ? 98 LYS A N 1 +ATOM 776 C CA . LYS A 1 98 ? 3.696 23.952 23.582 1.00 19.78 ? 98 LYS A CA 1 +ATOM 777 C C . LYS A 1 98 ? 3.990 25.340 23.019 1.00 18.56 ? 98 LYS A C 1 +ATOM 778 O O . LYS A 1 98 ? 4.162 26.293 23.771 1.00 17.70 ? 98 LYS A O 1 +ATOM 779 C CB . LYS A 1 98 ? 2.389 23.953 24.389 1.00 23.30 ? 98 LYS A CB 1 +ATOM 780 C CG . LYS A 1 98 ? 1.294 24.857 23.867 1.00 30.94 ? 98 LYS A CG 1 +ATOM 781 C CD . LYS A 1 98 ? 0.210 25.047 24.934 1.00 37.10 ? 98 LYS A CD 1 +ATOM 782 C CE . LYS A 1 98 ? -0.849 26.072 24.520 1.00 39.73 ? 98 LYS A CE 1 +ATOM 783 N NZ . LYS A 1 98 ? -0.326 27.476 24.541 1.00 42.46 ? 98 LYS A NZ 1 +ATOM 784 N N . LEU A 1 99 ? 4.073 25.445 21.696 1.00 19.35 ? 99 LEU A N 1 +ATOM 785 C CA . LEU A 1 99 ? 4.357 26.721 21.041 1.00 21.32 ? 99 LEU A CA 1 +ATOM 786 C C . LEU A 1 99 ? 3.307 27.770 21.351 1.00 22.86 ? 99 LEU A C 1 +ATOM 787 O O . LEU A 1 99 ? 2.108 27.496 21.261 1.00 23.41 ? 99 LEU A O 1 +ATOM 788 C CB . LEU A 1 99 ? 4.466 26.542 19.526 1.00 22.09 ? 99 LEU A CB 1 +ATOM 789 C CG . LEU A 1 99 ? 5.692 25.792 18.997 1.00 22.72 ? 99 LEU A CG 1 +ATOM 790 C CD1 . LEU A 1 99 ? 5.585 25.639 17.490 1.00 23.04 ? 99 LEU A CD1 1 +ATOM 791 C CD2 . LEU A 1 99 ? 6.951 26.548 19.372 1.00 23.61 ? 99 LEU A CD2 1 +ATOM 792 N N . LEU A 1 100 ? 3.767 28.962 21.722 1.00 24.11 ? 100 LEU A N 1 +ATOM 793 C CA . LEU A 1 100 ? 2.879 30.070 22.051 1.00 27.59 ? 100 LEU A CA 1 +ATOM 794 C C . LEU A 1 100 ? 2.130 30.545 20.815 1.00 30.94 ? 100 LEU A C 1 +ATOM 795 O O . LEU A 1 100 ? 0.951 30.908 20.877 1.00 31.34 ? 100 LEU A O 1 +ATOM 796 C CB . LEU A 1 100 ? 3.680 31.227 22.640 1.00 25.50 ? 100 LEU A CB 1 +ATOM 797 C CG . LEU A 1 100 ? 4.254 30.947 24.020 1.00 24.80 ? 100 LEU A CG 1 +ATOM 798 C CD1 . LEU A 1 100 ? 4.960 32.171 24.542 1.00 26.59 ? 100 LEU A CD1 1 +ATOM 799 C CD2 . LEU A 1 100 ? 3.141 30.554 24.935 1.00 24.80 ? 100 LEU A CD2 1 +ATOM 800 N N . LYS A 1 101 ? 2.835 30.531 19.689 1.00 34.60 ? 101 LYS A N 1 +ATOM 801 C CA . LYS A 1 101 ? 2.282 30.961 18.413 1.00 37.81 ? 101 LYS A CA 1 +ATOM 802 C C . LYS A 1 101 ? 2.847 30.088 17.292 1.00 37.39 ? 101 LYS A C 1 +ATOM 803 O O . LYS A 1 101 ? 4.019 29.687 17.319 1.00 37.22 ? 101 LYS A O 1 +ATOM 804 C CB . LYS A 1 101 ? 2.653 32.429 18.147 1.00 40.57 ? 101 LYS A CB 1 +ATOM 805 C CG . LYS A 1 101 ? 2.182 33.426 19.212 1.00 45.13 ? 101 LYS A CG 1 +ATOM 806 C CD . LYS A 1 101 ? 2.955 34.741 19.125 1.00 48.57 ? 101 LYS A CD 1 +ATOM 807 C CE . LYS A 1 101 ? 4.479 34.527 19.248 1.00 51.31 ? 101 LYS A CE 1 +ATOM 808 N NZ . LYS A 1 101 ? 4.917 33.952 20.559 1.00 51.14 ? 101 LYS A NZ 1 +ATOM 809 N N . GLY A 1 102 ? 1.997 29.786 16.318 1.00 37.21 ? 102 GLY A N 1 +ATOM 810 C CA . GLY A 1 102 ? 2.423 28.993 15.184 1.00 36.82 ? 102 GLY A CA 1 +ATOM 811 C C . GLY A 1 102 ? 2.333 27.494 15.344 1.00 36.36 ? 102 GLY A C 1 +ATOM 812 O O . GLY A 1 102 ? 1.690 26.977 16.265 1.00 35.74 ? 102 GLY A O 1 +ATOM 813 N N . GLU A 1 103 ? 2.954 26.803 14.395 1.00 35.74 ? 103 GLU A N 1 +ATOM 814 C CA . GLU A 1 103 ? 2.988 25.348 14.377 1.00 35.50 ? 103 GLU A CA 1 +ATOM 815 C C . GLU A 1 103 ? 4.418 24.880 14.140 1.00 31.92 ? 103 GLU A C 1 +ATOM 816 O O . GLU A 1 103 ? 5.281 25.654 13.723 1.00 31.61 ? 103 GLU A O 1 +ATOM 817 C CB . GLU A 1 103 ? 2.077 24.784 13.274 1.00 39.37 ? 103 GLU A CB 1 +ATOM 818 C CG . GLU A 1 103 ? 0.652 24.422 13.712 1.00 45.52 ? 103 GLU A CG 1 +ATOM 819 C CD . GLU A 1 103 ? -0.383 25.503 13.395 1.00 50.23 ? 103 GLU A CD 1 +ATOM 820 O OE1 . GLU A 1 103 ? -0.130 26.346 12.499 1.00 53.12 ? 103 GLU A OE1 1 +ATOM 821 O OE2 . GLU A 1 103 ? -1.464 25.500 14.036 1.00 52.16 ? 103 GLU A OE2 1 +ATOM 822 N N . GLY A 1 104 ? 4.653 23.604 14.414 1.00 28.97 ? 104 GLY A N 1 +ATOM 823 C CA . GLY A 1 104 ? 5.967 23.024 14.231 1.00 25.41 ? 104 GLY A CA 1 +ATOM 824 C C . GLY A 1 104 ? 6.012 21.648 14.863 1.00 22.09 ? 104 GLY A C 1 +ATOM 825 O O . GLY A 1 104 ? 4.987 21.160 15.347 1.00 21.89 ? 104 GLY A O 1 +ATOM 826 N N . PRO A 1 105 ? 7.176 20.976 14.832 1.00 19.50 ? 105 PRO A N 1 +ATOM 827 C CA . PRO A 1 105 ? 7.338 19.640 15.418 1.00 17.92 ? 105 PRO A CA 1 +ATOM 828 C C . PRO A 1 105 ? 7.020 19.664 16.914 1.00 15.61 ? 105 PRO A C 1 +ATOM 829 O O . PRO A 1 105 ? 7.170 20.696 17.567 1.00 14.42 ? 105 PRO A O 1 +ATOM 830 C CB . PRO A 1 105 ? 8.828 19.348 15.202 1.00 18.86 ? 105 PRO A CB 1 +ATOM 831 C CG . PRO A 1 105 ? 9.188 20.164 14.005 1.00 18.76 ? 105 PRO A CG 1 +ATOM 832 C CD . PRO A 1 105 ? 8.423 21.440 14.199 1.00 18.40 ? 105 PRO A CD 1 +ATOM 833 N N . LYS A 1 106 ? 6.552 18.541 17.444 1.00 16.02 ? 106 LYS A N 1 +ATOM 834 C CA . LYS A 1 106 ? 6.255 18.453 18.868 1.00 16.93 ? 106 LYS A CA 1 +ATOM 835 C C . LYS A 1 106 ? 7.609 18.305 19.554 1.00 15.49 ? 106 LYS A C 1 +ATOM 836 O O . LYS A 1 106 ? 8.397 17.437 19.183 1.00 14.76 ? 106 LYS A O 1 +ATOM 837 C CB . LYS A 1 106 ? 5.387 17.229 19.174 1.00 20.98 ? 106 LYS A CB 1 +ATOM 838 C CG . LYS A 1 106 ? 5.015 17.097 20.662 1.00 27.98 ? 106 LYS A CG 1 +ATOM 839 C CD . LYS A 1 106 ? 4.463 18.433 21.229 1.00 33.23 ? 106 LYS A CD 1 +ATOM 840 C CE . LYS A 1 106 ? 4.250 18.417 22.764 1.00 35.21 ? 106 LYS A CE 1 +ATOM 841 N NZ . LYS A 1 106 ? 5.519 18.251 23.566 1.00 33.75 ? 106 LYS A NZ 1 +ATOM 842 N N . THR A 1 107 ? 7.907 19.167 20.515 1.00 13.91 ? 107 THR A N 1 +ATOM 843 C CA . THR A 1 107 ? 9.203 19.086 21.190 1.00 12.14 ? 107 THR A CA 1 +ATOM 844 C C . THR A 1 107 ? 9.083 18.819 22.681 1.00 11.66 ? 107 THR A C 1 +ATOM 845 O O . THR A 1 107 ? 8.061 19.120 23.295 1.00 10.59 ? 107 THR A O 1 +ATOM 846 C CB . THR A 1 107 ? 10.012 20.382 21.016 1.00 12.37 ? 107 THR A CB 1 +ATOM 847 O OG1 . THR A 1 107 ? 9.263 21.480 21.547 1.00 12.36 ? 107 THR A OG1 1 +ATOM 848 C CG2 . THR A 1 107 ? 10.327 20.643 19.544 1.00 12.62 ? 107 THR A CG2 1 +ATOM 849 N N . SER A 1 108 ? 10.140 18.249 23.250 1.00 10.16 ? 108 SER A N 1 +ATOM 850 C CA . SER A 1 108 ? 10.192 17.975 24.681 1.00 9.98 ? 108 SER A CA 1 +ATOM 851 C C . SER A 1 108 ? 11.649 17.774 25.081 1.00 9.90 ? 108 SER A C 1 +ATOM 852 O O . SER A 1 108 ? 12.549 17.774 24.227 1.00 8.48 ? 108 SER A O 1 +ATOM 853 C CB . SER A 1 108 ? 9.370 16.729 25.024 1.00 9.84 ? 108 SER A CB 1 +ATOM 854 O OG . SER A 1 108 ? 9.844 15.601 24.313 1.00 13.87 ? 108 SER A OG 1 +ATOM 855 N N . TRP A 1 109 ? 11.890 17.708 26.386 1.00 7.96 ? 109 TRP A N 1 +ATOM 856 C CA . TRP A 1 109 ? 13.233 17.446 26.894 1.00 7.85 ? 109 TRP A CA 1 +ATOM 857 C C . TRP A 1 109 ? 13.109 16.693 28.209 1.00 7.56 ? 109 TRP A C 1 +ATOM 858 O O . TRP A 1 109 ? 12.053 16.728 28.837 1.00 8.14 ? 109 TRP A O 1 +ATOM 859 C CB . TRP A 1 109 ? 14.094 18.722 27.051 1.00 8.25 ? 109 TRP A CB 1 +ATOM 860 C CG . TRP A 1 109 ? 13.627 19.829 28.007 1.00 8.07 ? 109 TRP A CG 1 +ATOM 861 C CD1 . TRP A 1 109 ? 13.120 21.046 27.648 1.00 9.28 ? 109 TRP A CD1 1 +ATOM 862 C CD2 . TRP A 1 109 ? 13.745 19.865 29.450 1.00 9.31 ? 109 TRP A CD2 1 +ATOM 863 N NE1 . TRP A 1 109 ? 12.929 21.836 28.760 1.00 9.69 ? 109 TRP A NE1 1 +ATOM 864 C CE2 . TRP A 1 109 ? 13.306 21.136 29.878 1.00 9.04 ? 109 TRP A CE2 1 +ATOM 865 C CE3 . TRP A 1 109 ? 14.186 18.939 30.416 1.00 9.92 ? 109 TRP A CE3 1 +ATOM 866 C CZ2 . TRP A 1 109 ? 13.286 21.515 31.228 1.00 9.72 ? 109 TRP A CZ2 1 +ATOM 867 C CZ3 . TRP A 1 109 ? 14.163 19.316 31.758 1.00 10.25 ? 109 TRP A CZ3 1 +ATOM 868 C CH2 . TRP A 1 109 ? 13.717 20.593 32.149 1.00 10.11 ? 109 TRP A CH2 1 +ATOM 869 N N . THR A 1 110 ? 14.136 15.924 28.549 1.00 7.39 ? 110 THR A N 1 +ATOM 870 C CA . THR A 1 110 ? 14.168 15.176 29.808 1.00 6.23 ? 110 THR A CA 1 +ATOM 871 C C . THR A 1 110 ? 15.577 15.334 30.395 1.00 7.40 ? 110 THR A C 1 +ATOM 872 O O . THR A 1 110 ? 16.558 15.563 29.652 1.00 6.43 ? 110 THR A O 1 +ATOM 873 C CB . THR A 1 110 ? 13.887 13.633 29.626 1.00 7.17 ? 110 THR A CB 1 +ATOM 874 O OG1 . THR A 1 110 ? 15.000 13.002 28.973 1.00 7.49 ? 110 THR A OG1 1 +ATOM 875 C CG2 . THR A 1 110 ? 12.616 13.377 28.803 1.00 6.64 ? 110 THR A CG2 1 +ATOM 876 N N . ARG A 1 111 ? 15.669 15.293 31.727 1.00 6.72 ? 111 ARG A N 1 +ATOM 877 C CA . ARG A 1 111 ? 16.966 15.356 32.425 1.00 6.27 ? 111 ARG A CA 1 +ATOM 878 C C . ARG A 1 111 ? 16.924 14.287 33.483 1.00 7.89 ? 111 ARG A C 1 +ATOM 879 O O . ARG A 1 111 ? 15.928 14.156 34.193 1.00 8.35 ? 111 ARG A O 1 +ATOM 880 C CB . ARG A 1 111 ? 17.240 16.722 33.068 1.00 6.20 ? 111 ARG A CB 1 +ATOM 881 C CG . ARG A 1 111 ? 17.703 17.765 32.060 1.00 7.38 ? 111 ARG A CG 1 +ATOM 882 C CD . ARG A 1 111 ? 18.100 19.072 32.727 1.00 8.70 ? 111 ARG A CD 1 +ATOM 883 N NE . ARG A 1 111 ? 18.783 19.965 31.784 1.00 9.83 ? 111 ARG A NE 1 +ATOM 884 C CZ . ARG A 1 111 ? 18.158 20.804 30.963 1.00 10.23 ? 111 ARG A CZ 1 +ATOM 885 N NH1 . ARG A 1 111 ? 16.840 20.869 30.966 1.00 10.89 ? 111 ARG A NH1 1 +ATOM 886 N NH2 . ARG A 1 111 ? 18.847 21.590 30.144 1.00 11.56 ? 111 ARG A NH2 1 +ATOM 887 N N . GLU A 1 112 ? 17.957 13.464 33.534 1.00 7.64 ? 112 GLU A N 1 +ATOM 888 C CA . GLU A 1 112 ? 17.977 12.402 34.527 1.00 10.31 ? 112 GLU A CA 1 +ATOM 889 C C . GLU A 1 112 ? 19.356 12.142 35.113 1.00 9.93 ? 112 GLU A C 1 +ATOM 890 O O . GLU A 1 112 ? 20.367 12.273 34.425 1.00 7.92 ? 112 GLU A O 1 +ATOM 891 C CB . GLU A 1 112 ? 17.401 11.118 33.940 1.00 14.05 ? 112 GLU A CB 1 +ATOM 892 C CG . GLU A 1 112 ? 18.213 10.489 32.836 1.00 20.37 ? 112 GLU A CG 1 +ATOM 893 C CD . GLU A 1 112 ? 17.484 9.325 32.177 1.00 25.09 ? 112 GLU A CD 1 +ATOM 894 O OE1 . GLU A 1 112 ? 17.223 8.308 32.883 1.00 22.36 ? 112 GLU A OE1 1 +ATOM 895 O OE2 . GLU A 1 112 ? 17.175 9.443 30.955 1.00 25.10 ? 112 GLU A OE2 1 +ATOM 896 N N . LEU A 1 113 ? 19.387 11.816 36.401 1.00 8.96 ? 113 LEU A N 1 +ATOM 897 C CA . LEU A 1 113 ? 20.634 11.503 37.091 1.00 12.04 ? 113 LEU A CA 1 +ATOM 898 C C . LEU A 1 113 ? 20.789 9.991 37.081 1.00 12.06 ? 113 LEU A C 1 +ATOM 899 O O . LEU A 1 113 ? 19.906 9.270 37.559 1.00 12.08 ? 113 LEU A O 1 +ATOM 900 C CB . LEU A 1 113 ? 20.575 11.983 38.532 1.00 14.38 ? 113 LEU A CB 1 +ATOM 901 C CG . LEU A 1 113 ? 20.768 13.465 38.799 1.00 17.46 ? 113 LEU A CG 1 +ATOM 902 C CD1 . LEU A 1 113 ? 20.709 13.656 40.298 1.00 19.61 ? 113 LEU A CD1 1 +ATOM 903 C CD2 . LEU A 1 113 ? 22.128 13.945 38.266 1.00 18.46 ? 113 LEU A CD2 1 +ATOM 904 N N . THR A 1 114 ? 21.895 9.502 36.535 1.00 11.06 ? 114 THR A N 1 +ATOM 905 C CA . THR A 1 114 ? 22.110 8.062 36.452 1.00 11.74 ? 114 THR A CA 1 +ATOM 906 C C . THR A 1 114 ? 22.816 7.522 37.686 1.00 11.41 ? 114 THR A C 1 +ATOM 907 O O . THR A 1 114 ? 23.327 8.282 38.501 1.00 11.47 ? 114 THR A O 1 +ATOM 908 C CB . THR A 1 114 ? 22.894 7.700 35.188 1.00 12.89 ? 114 THR A CB 1 +ATOM 909 O OG1 . THR A 1 114 ? 24.109 8.451 35.164 1.00 15.50 ? 114 THR A OG1 1 +ATOM 910 C CG2 . THR A 1 114 ? 22.075 8.037 33.951 1.00 14.75 ? 114 THR A CG2 1 +ATOM 911 N N . ASN A 1 115 ? 22.834 6.202 37.808 1.00 13.23 ? 115 ASN A N 1 +ATOM 912 C CA . ASN A 1 115 ? 23.441 5.538 38.951 1.00 16.19 ? 115 ASN A CA 1 +ATOM 913 C C . ASN A 1 115 ? 24.930 5.761 39.139 1.00 14.24 ? 115 ASN A C 1 +ATOM 914 O O . ASN A 1 115 ? 25.432 5.626 40.256 1.00 14.74 ? 115 ASN A O 1 +ATOM 915 C CB . ASN A 1 115 ? 23.123 4.047 38.918 1.00 21.89 ? 115 ASN A CB 1 +ATOM 916 C CG . ASN A 1 115 ? 21.703 3.754 39.357 1.00 29.77 ? 115 ASN A CG 1 +ATOM 917 O OD1 . ASN A 1 115 ? 20.955 3.046 38.669 1.00 34.83 ? 115 ASN A OD1 1 +ATOM 918 N ND2 . ASN A 1 115 ? 21.313 4.310 40.516 1.00 32.90 ? 115 ASN A ND2 1 +ATOM 919 N N . ASP A 1 116 ? 25.626 6.095 38.055 1.00 12.05 ? 116 ASP A N 1 +ATOM 920 C CA . ASP A 1 116 ? 27.061 6.364 38.094 1.00 11.99 ? 116 ASP A CA 1 +ATOM 921 C C . ASP A 1 116 ? 27.424 7.821 38.397 1.00 11.45 ? 116 ASP A C 1 +ATOM 922 O O . ASP A 1 116 ? 28.592 8.184 38.393 1.00 12.23 ? 116 ASP A O 1 +ATOM 923 C CB . ASP A 1 116 ? 27.764 5.875 36.806 1.00 13.89 ? 116 ASP A CB 1 +ATOM 924 C CG . ASP A 1 116 ? 27.177 6.474 35.512 1.00 16.58 ? 116 ASP A CG 1 +ATOM 925 O OD1 . ASP A 1 116 ? 26.263 7.303 35.569 1.00 19.66 ? 116 ASP A OD1 1 +ATOM 926 O OD2 . ASP A 1 116 ? 27.651 6.113 34.422 1.00 20.14 ? 116 ASP A OD2 1 +ATOM 927 N N . GLY A 1 117 ? 26.420 8.647 38.675 1.00 10.58 ? 117 GLY A N 1 +ATOM 928 C CA . GLY A 1 117 ? 26.669 10.042 38.997 1.00 9.83 ? 117 GLY A CA 1 +ATOM 929 C C . GLY A 1 117 ? 26.652 11.019 37.831 1.00 9.97 ? 117 GLY A C 1 +ATOM 930 O O . GLY A 1 117 ? 26.945 12.192 38.019 1.00 10.45 ? 117 GLY A O 1 +ATOM 931 N N . GLU A 1 118 ? 26.289 10.550 36.638 1.00 9.43 ? 118 GLU A N 1 +ATOM 932 C CA . GLU A 1 118 ? 26.242 11.413 35.458 1.00 7.79 ? 118 GLU A CA 1 +ATOM 933 C C . GLU A 1 118 ? 24.834 11.955 35.213 1.00 7.60 ? 118 GLU A C 1 +ATOM 934 O O . GLU A 1 118 ? 23.872 11.565 35.885 1.00 8.05 ? 118 GLU A O 1 +ATOM 935 C CB . GLU A 1 118 ? 26.776 10.653 34.241 1.00 8.86 ? 118 GLU A CB 1 +ATOM 936 C CG . GLU A 1 118 ? 28.227 10.234 34.427 1.00 9.64 ? 118 GLU A CG 1 +ATOM 937 C CD . GLU A 1 118 ? 28.770 9.370 33.310 1.00 13.39 ? 118 GLU A CD 1 +ATOM 938 O OE1 . GLU A 1 118 ? 28.036 9.043 32.355 1.00 11.90 ? 118 GLU A OE1 1 +ATOM 939 O OE2 . GLU A 1 118 ? 29.956 8.998 33.405 1.00 16.59 ? 118 GLU A OE2 1 +ATOM 940 N N . LEU A 1 119 ? 24.732 12.884 34.269 1.00 7.57 ? 119 LEU A N 1 +ATOM 941 C CA . LEU A 1 119 ? 23.467 13.513 33.917 1.00 6.94 ? 119 LEU A CA 1 +ATOM 942 C C . LEU A 1 119 ? 23.189 13.277 32.431 1.00 8.29 ? 119 LEU A C 1 +ATOM 943 O O . LEU A 1 119 ? 24.070 13.506 31.593 1.00 8.23 ? 119 LEU A O 1 +ATOM 944 C CB . LEU A 1 119 ? 23.556 15.023 34.184 1.00 7.83 ? 119 LEU A CB 1 +ATOM 945 C CG . LEU A 1 119 ? 22.417 15.972 33.810 1.00 9.54 ? 119 LEU A CG 1 +ATOM 946 C CD1 . LEU A 1 119 ? 21.213 15.661 34.618 1.00 11.05 ? 119 LEU A CD1 1 +ATOM 947 C CD2 . LEU A 1 119 ? 22.822 17.421 34.066 1.00 12.54 ? 119 LEU A CD2 1 +ATOM 948 N N . ILE A 1 120 ? 22.010 12.743 32.119 1.00 6.17 ? 120 ILE A N 1 +ATOM 949 C CA . ILE A 1 120 ? 21.638 12.529 30.730 1.00 6.22 ? 120 ILE A CA 1 +ATOM 950 C C . ILE A 1 120 ? 20.527 13.511 30.354 1.00 7.47 ? 120 ILE A C 1 +ATOM 951 O O . ILE A 1 120 ? 19.493 13.580 31.036 1.00 6.54 ? 120 ILE A O 1 +ATOM 952 C CB . ILE A 1 120 ? 21.103 11.118 30.485 1.00 7.19 ? 120 ILE A CB 1 +ATOM 953 C CG1 . ILE A 1 120 ? 22.171 10.070 30.801 1.00 8.26 ? 120 ILE A CG1 1 +ATOM 954 C CG2 . ILE A 1 120 ? 20.556 11.003 29.047 1.00 6.54 ? 120 ILE A CG2 1 +ATOM 955 C CD1 . ILE A 1 120 ? 21.668 8.658 30.600 1.00 9.35 ? 120 ILE A CD1 1 +ATOM 956 N N . LEU A 1 121 ? 20.771 14.301 29.306 1.00 6.41 ? 121 LEU A N 1 +ATOM 957 C CA . LEU A 1 121 ? 19.783 15.236 28.779 1.00 6.25 ? 121 LEU A CA 1 +ATOM 958 C C . LEU A 1 121 ? 19.299 14.693 27.426 1.00 7.41 ? 121 LEU A C 1 +ATOM 959 O O . LEU A 1 121 ? 20.115 14.242 26.619 1.00 6.01 ? 121 LEU A O 1 +ATOM 960 C CB . LEU A 1 121 ? 20.400 16.624 28.526 1.00 7.37 ? 121 LEU A CB 1 +ATOM 961 C CG . LEU A 1 121 ? 19.607 17.580 27.597 1.00 7.96 ? 121 LEU A CG 1 +ATOM 962 C CD1 . LEU A 1 121 ? 18.340 18.117 28.290 1.00 7.91 ? 121 LEU A CD1 1 +ATOM 963 C CD2 . LEU A 1 121 ? 20.501 18.739 27.151 1.00 7.96 ? 121 LEU A CD2 1 +ATOM 964 N N . THR A 1 122 ? 17.988 14.607 27.222 1.00 6.71 ? 122 THR A N 1 +ATOM 965 C CA . THR A 1 122 ? 17.514 14.205 25.898 1.00 7.80 ? 122 THR A CA 1 +ATOM 966 C C . THR A 1 122 ? 16.633 15.334 25.402 1.00 8.58 ? 122 THR A C 1 +ATOM 967 O O . THR A 1 122 ? 15.988 16.034 26.194 1.00 7.21 ? 122 THR A O 1 +ATOM 968 C CB . THR A 1 122 ? 16.754 12.843 25.832 1.00 7.51 ? 122 THR A CB 1 +ATOM 969 O OG1 . THR A 1 122 ? 15.422 12.992 26.313 1.00 9.27 ? 122 THR A OG1 1 +ATOM 970 C CG2 . THR A 1 122 ? 17.484 11.759 26.622 1.00 7.86 ? 122 THR A CG2 1 +ATOM 971 N N . MET A 1 123 ? 16.732 15.613 24.110 1.00 7.87 ? 123 MET A N 1 +ATOM 972 C CA . MET A 1 123 ? 15.904 16.643 23.494 1.00 9.22 ? 123 MET A CA 1 +ATOM 973 C C . MET A 1 123 ? 15.194 15.950 22.337 1.00 8.66 ? 123 MET A C 1 +ATOM 974 O O . MET A 1 123 ? 15.828 15.189 21.601 1.00 8.09 ? 123 MET A O 1 +ATOM 975 C CB . MET A 1 123 ? 16.760 17.818 23.019 1.00 9.37 ? 123 MET A CB 1 +ATOM 976 C CG . MET A 1 123 ? 17.359 18.612 24.171 1.00 11.81 ? 123 MET A CG 1 +ATOM 977 S SD . MET A 1 123 ? 18.325 20.048 23.658 1.00 16.59 ? 123 MET A SD 1 +ATOM 978 C CE . MET A 1 123 ? 19.871 19.278 23.173 1.00 14.10 ? 123 MET A CE 1 +ATOM 979 N N . THR A 1 124 ? 13.895 16.195 22.186 1.00 7.20 ? 124 THR A N 1 +ATOM 980 C CA . THR A 1 124 ? 13.133 15.534 21.134 1.00 9.54 ? 124 THR A CA 1 +ATOM 981 C C . THR A 1 124 ? 12.407 16.513 20.222 1.00 10.12 ? 124 THR A C 1 +ATOM 982 O O . THR A 1 124 ? 11.941 17.563 20.665 1.00 9.54 ? 124 THR A O 1 +ATOM 983 C CB . THR A 1 124 ? 12.073 14.552 21.756 1.00 10.74 ? 124 THR A CB 1 +ATOM 984 O OG1 . THR A 1 124 ? 12.740 13.544 22.535 1.00 11.99 ? 124 THR A OG1 1 +ATOM 985 C CG2 . THR A 1 124 ? 11.247 13.865 20.679 1.00 11.66 ? 124 THR A CG2 1 +ATOM 986 N N . ALA A 1 125 ? 12.346 16.167 18.935 1.00 11.06 ? 125 ALA A N 1 +ATOM 987 C CA . ALA A 1 125 ? 11.634 16.962 17.923 1.00 11.63 ? 125 ALA A CA 1 +ATOM 988 C C . ALA A 1 125 ? 10.981 15.878 17.078 1.00 13.46 ? 125 ALA A C 1 +ATOM 989 O O . ALA A 1 125 ? 11.669 15.144 16.352 1.00 13.11 ? 125 ALA A O 1 +ATOM 990 C CB . ALA A 1 125 ? 12.603 17.786 17.091 1.00 13.16 ? 125 ALA A CB 1 +ATOM 991 N N . ASP A 1 126 ? 9.664 15.754 17.216 1.00 14.63 ? 126 ASP A N 1 +ATOM 992 C CA . ASP A 1 126 ? 8.901 14.721 16.536 1.00 17.86 ? 126 ASP A CA 1 +ATOM 993 C C . ASP A 1 126 ? 9.512 13.364 16.905 1.00 18.66 ? 126 ASP A C 1 +ATOM 994 O O . ASP A 1 126 ? 9.519 13.006 18.080 1.00 19.38 ? 126 ASP A O 1 +ATOM 995 C CB . ASP A 1 126 ? 8.835 14.982 15.023 1.00 18.40 ? 126 ASP A CB 1 +ATOM 996 C CG . ASP A 1 126 ? 7.786 16.032 14.660 1.00 22.34 ? 126 ASP A CG 1 +ATOM 997 O OD1 . ASP A 1 126 ? 6.800 16.198 15.422 1.00 23.23 ? 126 ASP A OD1 1 +ATOM 998 O OD2 . ASP A 1 126 ? 7.940 16.702 13.621 1.00 24.32 ? 126 ASP A OD2 1 +ATOM 999 N N . ASP A 1 127 ? 10.064 12.629 15.945 1.00 20.19 ? 127 ASP A N 1 +ATOM 1000 C CA . ASP A 1 127 ? 10.656 11.333 16.271 1.00 21.56 ? 127 ASP A CA 1 +ATOM 1001 C C . ASP A 1 127 ? 12.175 11.279 16.416 1.00 18.85 ? 127 ASP A C 1 +ATOM 1002 O O . ASP A 1 127 ? 12.732 10.219 16.657 1.00 20.67 ? 127 ASP A O 1 +ATOM 1003 C CB . ASP A 1 127 ? 10.178 10.263 15.303 1.00 26.47 ? 127 ASP A CB 1 +ATOM 1004 C CG . ASP A 1 127 ? 9.043 9.450 15.880 1.00 33.21 ? 127 ASP A CG 1 +ATOM 1005 O OD1 . ASP A 1 127 ? 7.892 9.959 15.934 1.00 36.08 ? 127 ASP A OD1 1 +ATOM 1006 O OD2 . ASP A 1 127 ? 9.318 8.308 16.318 1.00 38.35 ? 127 ASP A OD2 1 +ATOM 1007 N N . VAL A 1 128 ? 12.836 12.418 16.281 1.00 15.22 ? 128 VAL A N 1 +ATOM 1008 C CA . VAL A 1 128 ? 14.286 12.486 16.407 1.00 12.83 ? 128 VAL A CA 1 +ATOM 1009 C C . VAL A 1 128 ? 14.681 12.843 17.835 1.00 11.58 ? 128 VAL A C 1 +ATOM 1010 O O . VAL A 1 128 ? 14.176 13.811 18.408 1.00 9.74 ? 128 VAL A O 1 +ATOM 1011 C CB . VAL A 1 128 ? 14.864 13.503 15.423 1.00 12.79 ? 128 VAL A CB 1 +ATOM 1012 C CG1 . VAL A 1 128 ? 16.338 13.757 15.706 1.00 12.93 ? 128 VAL A CG1 1 +ATOM 1013 C CG2 . VAL A 1 128 ? 14.677 12.968 14.005 1.00 14.30 ? 128 VAL A CG2 1 +ATOM 1014 N N . VAL A 1 129 ? 15.586 12.051 18.397 1.00 9.29 ? 129 VAL A N 1 +ATOM 1015 C CA . VAL A 1 129 ? 16.054 12.257 19.761 1.00 7.95 ? 129 VAL A CA 1 +ATOM 1016 C C . VAL A 1 129 ? 17.558 12.546 19.842 1.00 7.49 ? 129 VAL A C 1 +ATOM 1017 O O . VAL A 1 129 ? 18.374 11.816 19.276 1.00 8.73 ? 129 VAL A O 1 +ATOM 1018 C CB . VAL A 1 129 ? 15.764 11.007 20.617 1.00 9.43 ? 129 VAL A CB 1 +ATOM 1019 C CG1 . VAL A 1 129 ? 16.153 11.253 22.076 1.00 9.09 ? 129 VAL A CG1 1 +ATOM 1020 C CG2 . VAL A 1 129 ? 14.293 10.610 20.495 1.00 9.45 ? 129 VAL A CG2 1 +ATOM 1021 N N . CYS A 1 130 ? 17.912 13.630 20.534 1.00 7.54 ? 130 CYS A N 1 +ATOM 1022 C CA . CYS A 1 130 ? 19.305 14.010 20.756 1.00 6.47 ? 130 CYS A CA 1 +ATOM 1023 C C . CYS A 1 130 ? 19.670 13.627 22.200 1.00 6.61 ? 130 CYS A C 1 +ATOM 1024 O O . CYS A 1 130 ? 18.955 13.992 23.135 1.00 7.53 ? 130 CYS A O 1 +ATOM 1025 C CB . CYS A 1 130 ? 19.485 15.517 20.544 1.00 6.05 ? 130 CYS A CB 1 +ATOM 1026 S SG . CYS A 1 130 ? 21.063 16.183 21.077 1.00 8.82 ? 130 CYS A SG 1 +ATOM 1027 N N . THR A 1 131 ? 20.786 12.925 22.372 1.00 6.58 ? 131 THR A N 1 +ATOM 1028 C CA . THR A 1 131 ? 21.241 12.462 23.693 1.00 5.93 ? 131 THR A CA 1 +ATOM 1029 C C . THR A 1 131 ? 22.569 13.102 24.054 1.00 6.18 ? 131 THR A C 1 +ATOM 1030 O O . THR A 1 131 ? 23.528 13.003 23.294 1.00 5.77 ? 131 THR A O 1 +ATOM 1031 C CB . THR A 1 131 ? 21.419 10.914 23.699 1.00 6.63 ? 131 THR A CB 1 +ATOM 1032 O OG1 . THR A 1 131 ? 20.199 10.299 23.289 1.00 7.60 ? 131 THR A OG1 1 +ATOM 1033 C CG2 . THR A 1 131 ? 21.763 10.399 25.091 1.00 7.76 ? 131 THR A CG2 1 +ATOM 1034 N N . ARG A 1 132 ? 22.624 13.780 25.202 1.00 6.29 ? 132 ARG A N 1 +ATOM 1035 C CA . ARG A 1 132 ? 23.853 14.429 25.660 1.00 7.67 ? 132 ARG A CA 1 +ATOM 1036 C C . ARG A 1 132 ? 24.108 13.960 27.093 1.00 7.19 ? 132 ARG A C 1 +ATOM 1037 O O . ARG A 1 132 ? 23.184 13.895 27.902 1.00 8.65 ? 132 ARG A O 1 +ATOM 1038 C CB . ARG A 1 132 ? 23.719 15.957 25.621 1.00 9.67 ? 132 ARG A CB 1 +ATOM 1039 C CG . ARG A 1 132 ? 22.945 16.470 24.429 1.00 15.02 ? 132 ARG A CG 1 +ATOM 1040 C CD . ARG A 1 132 ? 23.781 17.260 23.476 1.00 16.80 ? 132 ARG A CD 1 +ATOM 1041 N NE . ARG A 1 132 ? 24.140 18.580 23.984 1.00 12.48 ? 132 ARG A NE 1 +ATOM 1042 C CZ . ARG A 1 132 ? 25.030 19.377 23.395 1.00 12.93 ? 132 ARG A CZ 1 +ATOM 1043 N NH1 . ARG A 1 132 ? 25.641 19.005 22.279 1.00 13.84 ? 132 ARG A NH1 1 +ATOM 1044 N NH2 . ARG A 1 132 ? 25.398 20.506 23.973 1.00 11.57 ? 132 ARG A NH2 1 +ATOM 1045 N N . VAL A 1 133 ? 25.359 13.633 27.397 1.00 5.99 ? 133 VAL A N 1 +ATOM 1046 C CA . VAL A 1 133 ? 25.739 13.124 28.719 1.00 5.92 ? 133 VAL A CA 1 +ATOM 1047 C C . VAL A 1 133 ? 26.773 14.055 29.345 1.00 5.85 ? 133 VAL A C 1 +ATOM 1048 O O . VAL A 1 133 ? 27.713 14.492 28.681 1.00 5.50 ? 133 VAL A O 1 +ATOM 1049 C CB . VAL A 1 133 ? 26.333 11.698 28.608 1.00 6.37 ? 133 VAL A CB 1 +ATOM 1050 C CG1 . VAL A 1 133 ? 26.609 11.120 29.988 1.00 7.95 ? 133 VAL A CG1 1 +ATOM 1051 C CG2 . VAL A 1 133 ? 25.385 10.782 27.832 1.00 6.46 ? 133 VAL A CG2 1 +ATOM 1052 N N . TYR A 1 134 ? 26.619 14.337 30.635 1.00 5.35 ? 134 TYR A N 1 +ATOM 1053 C CA . TYR A 1 134 ? 27.538 15.228 31.322 1.00 4.57 ? 134 TYR A CA 1 +ATOM 1054 C C . TYR A 1 134 ? 28.014 14.611 32.617 1.00 5.30 ? 134 TYR A C 1 +ATOM 1055 O O . TYR A 1 134 ? 27.371 13.712 33.165 1.00 3.92 ? 134 TYR A O 1 +ATOM 1056 C CB . TYR A 1 134 ? 26.846 16.550 31.686 1.00 6.84 ? 134 TYR A CB 1 +ATOM 1057 C CG . TYR A 1 134 ? 26.118 17.251 30.574 1.00 8.89 ? 134 TYR A CG 1 +ATOM 1058 C CD1 . TYR A 1 134 ? 24.901 16.762 30.122 1.00 10.29 ? 134 TYR A CD1 1 +ATOM 1059 C CD2 . TYR A 1 134 ? 26.628 18.406 29.992 1.00 10.49 ? 134 TYR A CD2 1 +ATOM 1060 C CE1 . TYR A 1 134 ? 24.212 17.386 29.133 1.00 13.03 ? 134 TYR A CE1 1 +ATOM 1061 C CE2 . TYR A 1 134 ? 25.930 19.051 28.982 1.00 12.15 ? 134 TYR A CE2 1 +ATOM 1062 C CZ . TYR A 1 134 ? 24.723 18.517 28.567 1.00 12.80 ? 134 TYR A CZ 1 +ATOM 1063 O OH . TYR A 1 134 ? 23.991 19.082 27.567 1.00 18.07 ? 134 TYR A OH 1 +ATOM 1064 N N . VAL A 1 135 ? 29.113 15.158 33.119 1.00 6.63 ? 135 VAL A N 1 +ATOM 1065 C CA . VAL A 1 135 ? 29.697 14.762 34.394 1.00 8.42 ? 135 VAL A CA 1 +ATOM 1066 C C . VAL A 1 135 ? 30.100 16.086 35.064 1.00 9.05 ? 135 VAL A C 1 +ATOM 1067 O O . VAL A 1 135 ? 30.340 17.086 34.385 1.00 9.02 ? 135 VAL A O 1 +ATOM 1068 C CB . VAL A 1 135 ? 30.925 13.815 34.204 1.00 8.05 ? 135 VAL A CB 1 +ATOM 1069 C CG1 . VAL A 1 135 ? 32.109 14.556 33.596 1.00 9.27 ? 135 VAL A CG1 1 +ATOM 1070 C CG2 . VAL A 1 135 ? 31.304 13.151 35.533 1.00 10.37 ? 135 VAL A CG2 1 +ATOM 1071 N N . ARG A 1 136 ? 30.117 16.133 36.390 1.00 9.57 ? 136 ARG A N 1 +ATOM 1072 C CA . ARG A 1 136 ? 30.498 17.375 37.040 1.00 10.86 ? 136 ARG A CA 1 +ATOM 1073 C C . ARG A 1 136 ? 31.964 17.676 36.776 1.00 11.68 ? 136 ARG A C 1 +ATOM 1074 O O . ARG A 1 136 ? 32.782 16.765 36.686 1.00 11.35 ? 136 ARG A O 1 +ATOM 1075 C CB . ARG A 1 136 ? 30.221 17.319 38.536 1.00 11.99 ? 136 ARG A CB 1 +ATOM 1076 C CG . ARG A 1 136 ? 28.746 17.454 38.885 1.00 13.89 ? 136 ARG A CG 1 +ATOM 1077 C CD . ARG A 1 136 ? 28.576 17.533 40.382 1.00 15.85 ? 136 ARG A CD 1 +ATOM 1078 N NE . ARG A 1 136 ? 27.185 17.407 40.754 1.00 17.08 ? 136 ARG A NE 1 +ATOM 1079 C CZ . ARG A 1 136 ? 26.561 16.245 40.926 1.00 21.69 ? 136 ARG A CZ 1 +ATOM 1080 N NH1 . ARG A 1 136 ? 27.217 15.102 40.754 1.00 23.26 ? 136 ARG A NH1 1 +ATOM 1081 N NH2 . ARG A 1 136 ? 25.278 16.227 41.283 1.00 22.60 ? 136 ARG A NH2 1 +ATOM 1082 N N . GLU A 1 137 ? 32.282 18.963 36.663 1.00 15.12 ? 137 GLU A N 1 +ATOM 1083 C CA . GLU A 1 137 ? 33.641 19.430 36.400 1.00 18.00 ? 137 GLU A CA 1 +ATOM 1084 C C . GLU A 1 137 ? 34.615 19.038 37.493 1.00 18.96 ? 137 GLU A C 1 +ATOM 1085 O O . GLU A 1 137 ? 34.221 19.175 38.659 1.00 17.37 ? 137 GLU A O 1 +ATOM 1086 C CB . GLU A 1 137 ? 33.661 20.943 36.293 1.00 19.89 ? 137 GLU A CB 1 +ATOM 1087 C CG . GLU A 1 137 ? 33.092 21.492 35.035 1.00 28.03 ? 137 GLU A CG 1 +ATOM 1088 C CD . GLU A 1 137 ? 33.469 22.953 34.865 1.00 33.22 ? 137 GLU A CD 1 +ATOM 1089 O OE1 . GLU A 1 137 ? 34.630 23.217 34.473 1.00 37.31 ? 137 GLU A OE1 1 +ATOM 1090 O OE2 . GLU A 1 137 ? 32.636 23.836 35.164 1.00 36.38 ? 137 GLU A OE2 1 +ATOM 1091 O OXT . GLU A 1 137 ? 35.776 18.680 37.173 1.00 22.23 ? 137 GLU A OXT 1 +HETATM 1092 C C1 . REA B 2 . ? 21.972 29.831 16.739 1.00 15.25 ? 200 REA A C1 1 +HETATM 1093 C C2 . REA B 2 . ? 20.921 30.524 15.841 1.00 15.61 ? 200 REA A C2 1 +HETATM 1094 C C3 . REA B 2 . ? 20.245 29.635 14.848 1.00 16.19 ? 200 REA A C3 1 +HETATM 1095 C C4 . REA B 2 . ? 19.555 28.479 15.488 1.00 14.59 ? 200 REA A C4 1 +HETATM 1096 C C5 . REA B 2 . ? 20.389 27.812 16.587 1.00 14.10 ? 200 REA A C5 1 +HETATM 1097 C C6 . REA B 2 . ? 21.425 28.446 17.218 1.00 14.42 ? 200 REA A C6 1 +HETATM 1098 C C7 . REA B 2 . ? 22.242 27.851 18.297 1.00 13.89 ? 200 REA A C7 1 +HETATM 1099 C C8 . REA B 2 . ? 21.868 26.977 19.240 1.00 11.86 ? 200 REA A C8 1 +HETATM 1100 C C9 . REA B 2 . ? 22.705 26.434 20.286 1.00 10.87 ? 200 REA A C9 1 +HETATM 1101 C C10 . REA B 2 . ? 22.159 25.536 21.131 1.00 9.19 ? 200 REA A C10 1 +HETATM 1102 C C11 . REA B 2 . ? 22.875 24.924 22.234 1.00 10.35 ? 200 REA A C11 1 +HETATM 1103 C C12 . REA B 2 . ? 22.237 24.026 22.990 1.00 10.53 ? 200 REA A C12 1 +HETATM 1104 C C13 . REA B 2 . ? 22.856 23.377 24.125 1.00 10.91 ? 200 REA A C13 1 +HETATM 1105 C C14 . REA B 2 . ? 22.135 22.473 24.834 1.00 11.88 ? 200 REA A C14 1 +HETATM 1106 C C15 . REA B 2 . ? 22.563 21.710 26.016 1.00 14.86 ? 200 REA A C15 1 +HETATM 1107 C C16 . REA B 2 . ? 22.238 30.737 17.948 1.00 15.47 ? 200 REA A C16 1 +HETATM 1108 C C17 . REA B 2 . ? 23.292 29.620 15.948 1.00 13.42 ? 200 REA A C17 1 +HETATM 1109 C C18 . REA B 2 . ? 19.791 26.449 16.947 1.00 12.61 ? 200 REA A C18 1 +HETATM 1110 C C19 . REA B 2 . ? 24.181 26.841 20.385 1.00 10.08 ? 200 REA A C19 1 +HETATM 1111 C C20 . REA B 2 . ? 24.303 23.747 24.489 1.00 10.10 ? 200 REA A C20 1 +HETATM 1112 O O1 . REA B 2 . ? 23.640 21.075 25.978 1.00 13.29 ? 200 REA A O1 1 +HETATM 1113 O O2 . REA B 2 . ? 21.840 21.712 27.037 1.00 10.99 ? 200 REA A O2 1 +HETATM 1114 O O . HOH C 3 . ? 21.817 19.604 31.169 1.00 17.43 ? 300 HOH A O 1 +HETATM 1115 O O . HOH C 3 . ? 7.617 26.892 37.107 1.00 12.66 ? 301 HOH A O 1 +HETATM 1116 O O . HOH C 3 . ? 22.885 27.835 25.056 1.00 18.86 ? 302 HOH A O 1 +HETATM 1117 O O . HOH C 3 . ? 30.685 27.402 22.818 1.00 14.12 ? 303 HOH A O 1 +HETATM 1118 O O . HOH C 3 . ? 29.930 20.839 40.398 1.00 16.48 ? 304 HOH A O 1 +HETATM 1119 O O . HOH C 3 . ? 31.492 21.096 28.452 1.00 16.65 ? 305 HOH A O 1 +HETATM 1120 O O . HOH C 3 . ? 19.459 26.601 30.320 1.00 9.81 ? 306 HOH A O 1 +HETATM 1121 O O . HOH C 3 . ? 19.116 26.759 22.930 1.00 22.33 ? 307 HOH A O 1 +HETATM 1122 O O . HOH C 3 . ? 16.356 22.299 28.453 1.00 35.46 ? 308 HOH A O 1 +HETATM 1123 O O . HOH C 3 . ? 21.823 21.939 29.734 1.00 13.95 ? 309 HOH A O 1 +HETATM 1124 O O . HOH C 3 . ? 13.206 22.267 22.102 1.00 20.07 ? 310 HOH A O 1 +HETATM 1125 O O . HOH C 3 . ? 30.300 22.803 12.740 1.00 24.70 ? 311 HOH A O 1 +HETATM 1126 O O . HOH C 3 . ? 7.344 23.059 35.600 1.00 8.82 ? 312 HOH A O 1 +HETATM 1127 O O . HOH C 3 . ? 6.876 22.668 20.375 1.00 29.74 ? 313 HOH A O 1 +HETATM 1128 O O . HOH C 3 . ? 17.917 24.800 29.159 1.00 23.69 ? 314 HOH A O 1 +HETATM 1129 O O . HOH C 3 . ? 37.101 16.714 38.714 1.00 19.84 ? 315 HOH A O 1 +HETATM 1130 O O . HOH C 3 . ? 28.721 7.425 30.043 1.00 14.94 ? 316 HOH A O 1 +HETATM 1131 O O . HOH C 3 . ? 13.212 14.450 25.193 1.00 18.03 ? 317 HOH A O 1 +HETATM 1132 O O . HOH C 3 . ? 6.094 9.777 39.151 1.00 13.98 ? 318 HOH A O 1 +HETATM 1133 O O . HOH C 3 . ? 19.296 10.379 13.144 1.00 27.20 ? 319 HOH A O 1 +HETATM 1134 O O . HOH C 3 . ? 25.337 10.931 16.577 1.00 18.41 ? 320 HOH A O 1 +HETATM 1135 O O . HOH C 3 . ? 25.244 34.269 18.193 1.00 9.65 ? 321 HOH A O 1 +HETATM 1136 O O . HOH C 3 . ? 23.567 10.727 14.429 1.00 11.13 ? 322 HOH A O 1 +HETATM 1137 O O . HOH C 3 . ? 17.151 12.178 30.238 1.00 11.53 ? 323 HOH A O 1 +HETATM 1138 O O . HOH C 3 . ? 27.768 11.967 42.077 1.00 23.33 ? 324 HOH A O 1 +HETATM 1139 O O . HOH C 3 . ? 30.270 12.554 21.386 1.00 25.05 ? 325 HOH A O 1 +HETATM 1140 O O . HOH C 3 . ? 25.662 15.488 18.515 1.00 10.80 ? 326 HOH A O 1 +HETATM 1141 O O . HOH C 3 . ? 4.514 21.426 18.685 1.00 45.94 ? 327 HOH A O 1 +HETATM 1142 O O . HOH C 3 . ? 8.081 23.201 17.690 1.00 30.16 ? 328 HOH A O 1 +HETATM 1143 O O . HOH C 3 . ? 13.242 29.389 14.924 1.00 39.93 ? 329 HOH A O 1 +HETATM 1144 O O . HOH C 3 . ? 10.514 18.772 10.176 1.00 33.65 ? 330 HOH A O 1 +HETATM 1145 O O . HOH C 3 . ? 10.555 13.666 26.313 1.00 32.55 ? 331 HOH A O 1 +HETATM 1146 O O . HOH C 3 . ? 5.189 16.418 31.375 1.00 35.78 ? 332 HOH A O 1 +HETATM 1147 O O . HOH C 3 . ? 0.738 25.633 36.349 1.00 29.00 ? 333 HOH A O 1 +HETATM 1148 O O . HOH C 3 . ? 2.976 28.966 37.321 1.00 40.14 ? 334 HOH A O 1 +HETATM 1149 O O . HOH C 3 . ? 6.424 28.750 38.849 1.00 32.17 ? 335 HOH A O 1 +HETATM 1150 O O . HOH C 3 . ? 12.503 30.488 31.704 1.00 41.11 ? 336 HOH A O 1 +HETATM 1151 O O . HOH C 3 . ? 14.979 30.157 27.559 1.00 23.78 ? 337 HOH A O 1 +HETATM 1152 O O . HOH C 3 . ? 17.312 32.981 28.812 1.00 20.84 ? 338 HOH A O 1 +HETATM 1153 O O . HOH C 3 . ? 29.473 25.946 34.693 1.00 29.05 ? 339 HOH A O 1 +HETATM 1154 O O . HOH C 3 . ? 30.328 23.817 33.494 1.00 24.17 ? 340 HOH A O 1 +HETATM 1155 O O . HOH C 3 . ? 31.158 28.144 26.433 1.00 42.66 ? 341 HOH A O 1 +HETATM 1156 O O . HOH C 3 . ? 30.276 28.397 16.400 1.00 21.90 ? 342 HOH A O 1 +HETATM 1157 O O . HOH C 3 . ? 19.533 23.600 26.857 1.00 21.12 ? 343 HOH A O 1 +HETATM 1158 O O . HOH C 3 . ? 17.892 24.675 24.549 1.00 48.11 ? 344 HOH A O 1 +HETATM 1159 O O . HOH C 3 . ? 14.211 24.152 25.435 1.00 21.09 ? 345 HOH A O 1 +HETATM 1160 O O . HOH C 3 . ? 15.223 27.626 27.056 1.00 27.16 ? 346 HOH A O 1 +HETATM 1161 O O . HOH C 3 . ? 3.502 22.911 43.083 1.00 30.15 ? 347 HOH A O 1 +HETATM 1162 O O . HOH C 3 . ? 20.610 7.668 40.212 1.00 49.06 ? 348 HOH A O 1 +HETATM 1163 O O . HOH C 3 . ? 24.813 2.899 36.403 1.00 48.98 ? 349 HOH A O 1 +HETATM 1164 O O . HOH C 3 . ? 29.900 5.163 26.918 1.00 23.60 ? 350 HOH A O 1 +HETATM 1165 O O . HOH C 3 . ? 14.333 5.466 42.757 1.00 22.90 ? 351 HOH A O 1 +HETATM 1166 O O . HOH C 3 . ? 8.914 5.771 35.515 1.00 35.92 ? 352 HOH A O 1 +HETATM 1167 O O . HOH C 3 . ? 14.519 28.906 40.193 1.00 28.73 ? 353 HOH A O 1 +HETATM 1168 O O . HOH C 3 . ? 17.573 20.203 47.080 1.00 37.63 ? 354 HOH A O 1 +HETATM 1169 O O . HOH C 3 . ? 13.324 32.251 34.152 1.00 47.79 ? 355 HOH A O 1 +HETATM 1170 O O . HOH C 3 . ? 12.491 24.840 7.594 1.00 39.45 ? 356 HOH A O 1 +HETATM 1171 O O . HOH C 3 . ? 25.066 15.777 15.214 1.00 27.39 ? 357 HOH A O 1 +HETATM 1172 O O . HOH C 3 . ? 27.138 17.638 17.834 1.00 45.12 ? 358 HOH A O 1 +HETATM 1173 O O . HOH C 3 . ? 27.611 19.792 19.503 1.00 24.45 ? 359 HOH A O 1 +HETATM 1174 O O . HOH C 3 . ? 11.358 8.880 19.119 1.00 24.31 ? 360 HOH A O 1 +HETATM 1175 O O . HOH C 3 . ? 16.252 27.169 24.557 1.00 25.40 ? 361 HOH A O 1 +HETATM 1176 O O . HOH C 3 . ? 22.049 27.870 4.565 1.00 25.37 ? 362 HOH A O 1 +HETATM 1177 O O . HOH C 3 . ? 11.533 6.689 34.501 1.00 29.92 ? 363 HOH A O 1 +HETATM 1178 O O . HOH C 3 . ? 13.269 4.551 36.338 1.00 45.75 ? 364 HOH A O 1 +HETATM 1179 O O . HOH C 3 . ? 23.149 9.493 41.173 1.00 30.10 ? 365 HOH A O 1 +HETATM 1180 O O . HOH C 3 . ? 21.090 12.171 43.973 1.00 27.97 ? 366 HOH A O 1 +HETATM 1181 O O . HOH C 3 . ? 11.884 13.399 42.560 1.00 23.28 ? 367 HOH A O 1 +HETATM 1182 O O . HOH C 3 . ? 29.542 17.520 20.025 1.00 38.32 ? 368 HOH A O 1 +HETATM 1183 O O . HOH C 3 . ? 31.058 17.427 22.538 1.00 37.85 ? 369 HOH A O 1 +HETATM 1184 O O . HOH C 3 . ? 31.928 9.444 23.294 1.00 46.07 ? 370 HOH A O 1 +HETATM 1185 O O . HOH C 3 . ? 25.699 10.933 9.557 1.00 44.12 ? 371 HOH A O 1 +HETATM 1186 O O . HOH C 3 . ? 26.533 13.428 16.334 1.00 45.21 ? 372 HOH A O 1 +HETATM 1187 O O . HOH C 3 . ? 27.078 16.850 13.245 1.00 39.52 ? 373 HOH A O 1 +HETATM 1188 O O . HOH C 3 . ? 20.596 32.070 6.807 1.00 36.38 ? 374 HOH A O 1 +HETATM 1189 O O . HOH C 3 . ? 17.126 28.421 9.515 1.00 23.81 ? 375 HOH A O 1 +HETATM 1190 O O . HOH C 3 . ? 16.626 32.383 11.231 1.00 20.11 ? 376 HOH A O 1 +HETATM 1191 O O . HOH C 3 . ? 6.046 30.510 19.639 1.00 29.02 ? 377 HOH A O 1 +HETATM 1192 O O . HOH C 3 . ? 9.543 16.072 11.145 1.00 50.91 ? 378 HOH A O 1 +HETATM 1193 O O . HOH C 3 . ? 8.174 14.289 20.240 1.00 54.21 ? 379 HOH A O 1 +HETATM 1194 O O . HOH C 3 . ? 11.561 10.834 22.873 1.00 43.23 ? 380 HOH A O 1 +HETATM 1195 O O . HOH C 3 . ? 5.486 15.385 24.922 1.00 50.19 ? 381 HOH A O 1 +HETATM 1196 O O . HOH C 3 . ? 6.038 21.424 43.276 1.00 46.64 ? 382 HOH A O 1 +HETATM 1197 O O . HOH C 3 . ? 34.144 19.165 27.284 1.00 41.41 ? 383 HOH A O 1 +HETATM 1198 O O . HOH C 3 . ? 16.916 27.142 42.621 1.00 29.32 ? 384 HOH A O 1 +HETATM 1199 O O . HOH C 3 . ? 25.509 24.918 41.520 1.00 32.12 ? 385 HOH A O 1 +HETATM 1200 O O . HOH C 3 . ? 31.446 7.504 31.389 1.00 28.93 ? 386 HOH A O 1 +HETATM 1201 O O . HOH C 3 . ? 18.212 20.893 5.892 1.00 29.90 ? 387 HOH A O 1 +HETATM 1202 O O . HOH C 3 . ? 15.148 27.608 7.685 1.00 30.91 ? 388 HOH A O 1 +HETATM 1203 O O . HOH C 3 . ? 2.656 23.148 20.117 1.00 35.98 ? 389 HOH A O 1 +HETATM 1204 O O . HOH C 3 . ? 3.100 22.690 28.640 1.00 31.31 ? 390 HOH A O 1 +HETATM 1205 O O . HOH C 3 . ? 13.699 19.720 21.819 1.00 26.56 ? 391 HOH A O 1 +HETATM 1206 O O . HOH C 3 . ? 26.833 28.283 32.272 1.00 31.48 ? 392 HOH A O 1 +HETATM 1207 O O . HOH C 3 . ? 20.458 26.214 25.811 1.00 24.39 ? 393 HOH A O 1 +HETATM 1208 O O . HOH C 3 . ? 32.304 27.731 18.152 1.00 41.66 ? 394 HOH A O 1 +HETATM 1209 O O . HOH C 3 . ? 24.283 13.868 42.687 1.00 35.59 ? 395 HOH A O 1 +HETATM 1210 O O . HOH C 3 . ? 11.833 12.657 45.160 1.00 38.30 ? 396 HOH A O 1 +HETATM 1211 O O . HOH C 3 . ? 1.988 27.992 43.589 1.00 33.97 ? 397 HOH A O 1 +HETATM 1212 O O . HOH C 3 . ? 32.913 22.982 40.176 1.00 39.26 ? 398 HOH A O 1 +HETATM 1213 O O . HOH C 3 . ? 32.435 20.043 40.169 1.00 33.87 ? 399 HOH A O 1 +# +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.ndb_seq_num +_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 +_pdbx_poly_seq_scheme.hetero +A 1 1 PRO 1 1 1 PRO PRO A . n +A 1 2 ASN 2 2 2 ASN ASN A . n +A 1 3 PHE 3 3 3 PHE PHE A . n +A 1 4 SER 4 4 4 SER SER A . n +A 1 5 GLY 5 5 5 GLY GLY A . n +A 1 6 ASN 6 6 6 ASN ASN A . n +A 1 7 TRP 7 7 7 TRP TRP A . n +A 1 8 LYS 8 8 8 LYS LYS A . n +A 1 9 ILE 9 9 9 ILE ILE A . n +A 1 10 ILE 10 10 10 ILE ILE A . n +A 1 11 ARG 11 11 11 ARG ARG A . n +A 1 12 SER 12 12 12 SER SER A . n +A 1 13 GLU 13 13 13 GLU GLU A . n +A 1 14 ASN 14 14 14 ASN ASN A . n +A 1 15 PHE 15 15 15 PHE PHE A . n +A 1 16 GLU 16 16 16 GLU GLU A . n +A 1 17 GLU 17 17 17 GLU GLU A . n +A 1 18 LEU 18 18 18 LEU LEU A . n +A 1 19 LEU 19 19 19 LEU LEU A . n +A 1 20 LYS 20 20 20 LYS LYS A . n +A 1 21 VAL 21 21 21 VAL VAL A . n +A 1 22 LEU 22 22 22 LEU LEU A . n +A 1 23 GLY 23 23 23 GLY GLY A . n +A 1 24 VAL 24 24 24 VAL VAL A . n +A 1 25 ASN 25 25 25 ASN ASN A . n +A 1 26 VAL 26 26 26 VAL VAL A . n +A 1 27 MET 27 27 27 MET MET A . n +A 1 28 LEU 28 28 28 LEU LEU A . n +A 1 29 ARG 29 29 29 ARG ARG A . n +A 1 30 LYS 30 30 30 LYS LYS A . n +A 1 31 ILE 31 31 31 ILE ILE A . n +A 1 32 ALA 32 32 32 ALA ALA A . n +A 1 33 VAL 33 33 33 VAL VAL A . n +A 1 34 ALA 34 34 34 ALA ALA A . n +A 1 35 ALA 35 35 35 ALA ALA A . n +A 1 36 ALA 36 36 36 ALA ALA A . n +A 1 37 SER 37 37 37 SER SER A . n +A 1 38 LYS 38 38 38 LYS LYS A . n +A 1 39 PRO 39 39 39 PRO PRO A . n +A 1 40 ALA 40 40 40 ALA ALA A . n +A 1 41 VAL 41 41 41 VAL VAL A . n +A 1 42 GLU 42 42 42 GLU GLU A . n +A 1 43 ILE 43 43 43 ILE ILE A . n +A 1 44 LYS 44 44 44 LYS LYS A . n +A 1 45 GLN 45 45 45 GLN GLN A . n +A 1 46 GLU 46 46 46 GLU GLU A . n +A 1 47 GLY 47 47 47 GLY GLY A . n +A 1 48 ASP 48 48 48 ASP ASP A . n +A 1 49 THR 49 49 49 THR THR A . n +A 1 50 PHE 50 50 50 PHE PHE A . n +A 1 51 TYR 51 51 51 TYR TYR A . n +A 1 52 ILE 52 52 52 ILE ILE A . n +A 1 53 LYS 53 53 53 LYS LYS A . n +A 1 54 THR 54 54 54 THR THR A . n +A 1 55 SER 55 55 55 SER SER A . n +A 1 56 THR 56 56 56 THR THR A . n +A 1 57 THR 57 57 57 THR THR A . n +A 1 58 VAL 58 58 58 VAL VAL A . n +A 1 59 ARG 59 59 59 ARG ARG A . n +A 1 60 THR 60 60 60 THR THR A . n +A 1 61 THR 61 61 61 THR THR A . n +A 1 62 GLU 62 62 62 GLU GLU A . n +A 1 63 ILE 63 63 63 ILE ILE A . n +A 1 64 ASN 64 64 64 ASN ASN A . n +A 1 65 PHE 65 65 65 PHE PHE A . n +A 1 66 LYS 66 66 66 LYS LYS A . n +A 1 67 VAL 67 67 67 VAL VAL A . n +A 1 68 GLY 68 68 68 GLY GLY A . n +A 1 69 GLU 69 69 69 GLU GLU A . n +A 1 70 GLU 70 70 70 GLU GLU A . n +A 1 71 PHE 71 71 71 PHE PHE A . n +A 1 72 GLU 72 72 72 GLU GLU A . n +A 1 73 GLU 73 73 73 GLU GLU A . n +A 1 74 GLN 74 74 74 GLN GLN A . n +A 1 75 THR 75 75 75 THR THR A . n +A 1 76 VAL 76 76 76 VAL VAL A . n +A 1 77 ASP 77 77 77 ASP ASP A . n +A 1 78 GLY 78 78 78 GLY GLY A . n +A 1 79 ARG 79 79 79 ARG ARG A . n +A 1 80 PRO 80 80 80 PRO PRO A . n +A 1 81 CYS 81 81 81 CYS CYS A . n +A 1 82 LYS 82 82 82 LYS LYS A . n +A 1 83 SER 83 83 83 SER SER A . n +A 1 84 LEU 84 84 84 LEU LEU A . n +A 1 85 VAL 85 85 85 VAL VAL A . n +A 1 86 LYS 86 86 86 LYS LYS A . n +A 1 87 TRP 87 87 87 TRP TRP A . n +A 1 88 GLU 88 88 88 GLU GLU A . n +A 1 89 SER 89 89 89 SER SER A . n +A 1 90 GLU 90 90 90 GLU GLU A . n +A 1 91 ASN 91 91 91 ASN ASN A . n +A 1 92 LYS 92 92 92 LYS LYS A . n +A 1 93 MET 93 93 93 MET MET A . n +A 1 94 VAL 94 94 94 VAL VAL A . n +A 1 95 CYS 95 95 95 CYS CYS A . n +A 1 96 GLU 96 96 96 GLU GLU A . n +A 1 97 GLN 97 97 97 GLN GLN A . n +A 1 98 LYS 98 98 98 LYS LYS A . n +A 1 99 LEU 99 99 99 LEU LEU A . n +A 1 100 LEU 100 100 100 LEU LEU A . n +A 1 101 LYS 101 101 101 LYS LYS A . n +A 1 102 GLY 102 102 102 GLY GLY A . n +A 1 103 GLU 103 103 103 GLU GLU A . n +A 1 104 GLY 104 104 104 GLY GLY A . n +A 1 105 PRO 105 105 105 PRO PRO A . n +A 1 106 LYS 106 106 106 LYS LYS A . n +A 1 107 THR 107 107 107 THR THR A . n +A 1 108 SER 108 108 108 SER SER A . n +A 1 109 TRP 109 109 109 TRP TRP A . n +A 1 110 THR 110 110 110 THR THR A . n +A 1 111 ARG 111 111 111 ARG ARG A . n +A 1 112 GLU 112 112 112 GLU GLU A . n +A 1 113 LEU 113 113 113 LEU LEU A . n +A 1 114 THR 114 114 114 THR THR A . n +A 1 115 ASN 115 115 115 ASN ASN A . n +A 1 116 ASP 116 116 116 ASP ASP A . n +A 1 117 GLY 117 117 117 GLY GLY A . n +A 1 118 GLU 118 118 118 GLU GLU A . n +A 1 119 LEU 119 119 119 LEU LEU A . n +A 1 120 ILE 120 120 120 ILE ILE A . n +A 1 121 LEU 121 121 121 LEU LEU A . n +A 1 122 THR 122 122 122 THR THR A . n +A 1 123 MET 123 123 123 MET MET A . n +A 1 124 THR 124 124 124 THR THR A . n +A 1 125 ALA 125 125 125 ALA ALA A . n +A 1 126 ASP 126 126 126 ASP ASP A . n +A 1 127 ASP 127 127 127 ASP ASP A . n +A 1 128 VAL 128 128 128 VAL VAL A . n +A 1 129 VAL 129 129 129 VAL VAL A . n +A 1 130 CYS 130 130 130 CYS CYS A . n +A 1 131 THR 131 131 131 THR THR A . n +A 1 132 ARG 132 132 132 ARG ARG A . n +A 1 133 VAL 133 133 133 VAL VAL A . n +A 1 134 TYR 134 134 134 TYR TYR A . n +A 1 135 VAL 135 135 135 VAL VAL A . n +A 1 136 ARG 136 136 136 ARG ARG A . n +A 1 137 GLU 137 137 137 GLU GLU A . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 REA 1 200 200 REA REA A . +C 3 HOH 1 300 300 HOH HOH A . +C 3 HOH 2 301 301 HOH HOH A . +C 3 HOH 3 302 302 HOH HOH A . +C 3 HOH 4 303 303 HOH HOH A . +C 3 HOH 5 304 304 HOH HOH A . +C 3 HOH 6 305 305 HOH HOH A . +C 3 HOH 7 306 306 HOH HOH A . +C 3 HOH 8 307 307 HOH HOH A . +C 3 HOH 9 308 308 HOH HOH A . +C 3 HOH 10 309 309 HOH HOH A . +C 3 HOH 11 310 310 HOH HOH A . +C 3 HOH 12 311 311 HOH HOH A . +C 3 HOH 13 312 312 HOH HOH A . +C 3 HOH 14 313 313 HOH HOH A . +C 3 HOH 15 314 314 HOH HOH A . +C 3 HOH 16 315 315 HOH HOH A . +C 3 HOH 17 316 316 HOH HOH A . +C 3 HOH 18 317 317 HOH HOH A . +C 3 HOH 19 318 318 HOH HOH A . +C 3 HOH 20 319 319 HOH HOH A . +C 3 HOH 21 320 320 HOH HOH A . +C 3 HOH 22 321 321 HOH HOH A . +C 3 HOH 23 322 322 HOH HOH A . +C 3 HOH 24 323 323 HOH HOH A . +C 3 HOH 25 324 324 HOH HOH A . +C 3 HOH 26 325 325 HOH HOH A . +C 3 HOH 27 326 326 HOH HOH A . +C 3 HOH 28 327 327 HOH HOH A . +C 3 HOH 29 328 328 HOH HOH A . +C 3 HOH 30 329 329 HOH HOH A . +C 3 HOH 31 330 330 HOH HOH A . +C 3 HOH 32 331 331 HOH HOH A . +C 3 HOH 33 332 332 HOH HOH A . +C 3 HOH 34 333 333 HOH HOH A . +C 3 HOH 35 334 334 HOH HOH A . +C 3 HOH 36 335 335 HOH HOH A . +C 3 HOH 37 336 336 HOH HOH A . +C 3 HOH 38 337 337 HOH HOH A . +C 3 HOH 39 338 338 HOH HOH A . +C 3 HOH 40 339 339 HOH HOH A . +C 3 HOH 41 340 340 HOH HOH A . +C 3 HOH 42 341 341 HOH HOH A . +C 3 HOH 43 342 342 HOH HOH A . +C 3 HOH 44 343 343 HOH HOH A . +C 3 HOH 45 344 344 HOH HOH A . +C 3 HOH 46 345 345 HOH HOH A . +C 3 HOH 47 346 346 HOH HOH A . +C 3 HOH 48 347 347 HOH HOH A . +C 3 HOH 49 348 348 HOH HOH A . +C 3 HOH 50 349 349 HOH HOH A . +C 3 HOH 51 350 350 HOH HOH A . +C 3 HOH 52 351 351 HOH HOH A . +C 3 HOH 53 352 352 HOH HOH A . +C 3 HOH 54 353 353 HOH HOH A . +C 3 HOH 55 354 354 HOH HOH A . +C 3 HOH 56 355 355 HOH HOH A . +C 3 HOH 57 356 356 HOH HOH A . +C 3 HOH 58 357 357 HOH HOH A . +C 3 HOH 59 358 358 HOH HOH A . +C 3 HOH 60 359 359 HOH HOH A . +C 3 HOH 61 360 360 HOH HOH A . +C 3 HOH 62 361 361 HOH HOH A . +C 3 HOH 63 362 362 HOH HOH A . +C 3 HOH 64 363 363 HOH HOH A . +C 3 HOH 65 364 364 HOH HOH A . +C 3 HOH 66 365 365 HOH HOH A . +C 3 HOH 67 366 366 HOH HOH A . +C 3 HOH 68 367 367 HOH HOH A . +C 3 HOH 69 368 368 HOH HOH A . +C 3 HOH 70 369 369 HOH HOH A . +C 3 HOH 71 370 370 HOH HOH A . +C 3 HOH 72 371 371 HOH HOH A . +C 3 HOH 73 372 372 HOH HOH A . +C 3 HOH 74 373 373 HOH HOH A . +C 3 HOH 75 374 374 HOH HOH A . +C 3 HOH 76 375 375 HOH HOH A . +C 3 HOH 77 376 376 HOH HOH A . +C 3 HOH 78 377 377 HOH HOH A . +C 3 HOH 79 378 378 HOH HOH A . +C 3 HOH 80 379 379 HOH HOH A . +C 3 HOH 81 380 380 HOH HOH A . +C 3 HOH 82 381 381 HOH HOH A . +C 3 HOH 83 382 382 HOH HOH A . +C 3 HOH 84 383 383 HOH HOH A . +C 3 HOH 85 384 384 HOH HOH A . +C 3 HOH 86 385 385 HOH HOH A . +C 3 HOH 87 386 386 HOH HOH A . +C 3 HOH 88 387 387 HOH HOH A . +C 3 HOH 89 388 388 HOH HOH A . +C 3 HOH 90 389 389 HOH HOH A . +C 3 HOH 91 390 390 HOH HOH A . +C 3 HOH 92 391 391 HOH HOH A . +C 3 HOH 93 392 392 HOH HOH A . +C 3 HOH 94 393 393 HOH HOH A . +C 3 HOH 95 394 394 HOH HOH A . +C 3 HOH 96 395 395 HOH HOH A . +C 3 HOH 97 396 396 HOH HOH A . +C 3 HOH 98 397 397 HOH HOH A . +C 3 HOH 99 398 398 HOH HOH A . +C 3 HOH 100 399 399 HOH HOH A . +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details monomeric +_pdbx_struct_assembly.oligomeric_count 1 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +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 1995-01-26 +2 'Structure model' 1 1 2008-03-24 +3 'Structure model' 1 2 2011-07-13 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +# +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' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +X-PLOR 'model building' . ? 1 +X-PLOR refinement . ? 2 +X-PLOR phasing . ? 3 +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 GLU A 73 ? ? -144.94 -154.28 +2 1 ASP A 126 ? ? 55.69 -115.96 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +2 'RETINOIC ACID' REA +3 water HOH +# +data_2NNJ +# +_entry.id 2NNJ +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.281 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +PDB 2NNJ +RCSB RCSB040078 +WWPDB D_1000040078 +# +loop_ +_pdbx_database_related.db_name +_pdbx_database_related.db_id +_pdbx_database_related.details +_pdbx_database_related.content_type +PDB 2NNH . unspecified +PDB 2NNI . unspecified +# +_pdbx_database_status.entry_id 2NNJ +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.recvd_initial_deposition_date 2006-10-24 +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.SG_entry N +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_cs ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Schoch, G.A.' 1 +'Yano, J.K.' 2 +'Stout, C.D.' 3 +'Johnson, E.F.' 4 +# +_citation.id primary +_citation.title +;Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid. +; +_citation.journal_abbrev J.Biol.Chem. +_citation.journal_volume 283 +_citation.page_first 17227 +_citation.page_last 17237 +_citation.year 2008 +_citation.journal_id_ASTM JBCHA3 +_citation.country US +_citation.journal_id_ISSN 0021-9258 +_citation.journal_id_CSD 0071 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed 18413310 +_citation.pdbx_database_id_DOI 10.1074/jbc.M802180200 +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Schoch, G.A.' 1 +primary 'Yano, J.K.' 2 +primary 'Sansen, S.' 3 +primary 'Dansette, P.M.' 4 +primary 'Stout, C.D.' 5 +primary 'Johnson, E.F.' 6 +# +_cell.entry_id 2NNJ +_cell.length_a 74.410 +_cell.length_b 139.220 +_cell.length_c 163.230 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 90.00 +_cell.Z_PDB 8 +_cell.pdbx_unique_axis ? +_cell.length_a_esd ? +_cell.length_b_esd ? +_cell.length_c_esd ? +_cell.angle_alpha_esd ? +_cell.angle_beta_esd ? +_cell.angle_gamma_esd ? +# +_symmetry.entry_id 2NNJ +_symmetry.space_group_name_H-M 'I 2 2 2' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.Int_Tables_number 23 +_symmetry.cell_setting ? +_symmetry.space_group_name_Hall ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer man 'Cytochrome P450 2C8' 54054.156 1 1.14.14.1 ? ? ? +2 non-polymer syn 'SULFATE ION' 96.063 3 ? ? ? ? +3 non-polymer syn 'PROTOPORPHYRIN IX CONTAINING FE' 616.487 1 ? ? ? ? +4 non-polymer syn FELODIPINE 384.254 1 ? ? ? ? +5 non-polymer syn 'PALMITIC ACID' 256.424 1 ? ? ? ? +6 water nat water 18.015 179 ? ? ? ? +# +_entity_name_com.entity_id 1 +_entity_name_com.name 'CYPIIC8; P450 form 1; P450 MP-12/MP-20; P450 IIC2; S-mephenytoin 4-hydroxylase' +# +_entity_name_sys.entity_id 1 +_entity_name_sys.name E.C.1.14.14.1 +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code +;MAKKTSSKGKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRG +NSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVI +CSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVN +NPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPC +MQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGN +FKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPVHHHH +; +_entity_poly.pdbx_seq_one_letter_code_can +;MAKKTSSKGKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRG +NSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVI +CSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVN +NPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPC +MQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGN +FKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPVHHHH +; +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 MET n +1 2 ALA n +1 3 LYS n +1 4 LYS n +1 5 THR n +1 6 SER n +1 7 SER n +1 8 LYS n +1 9 GLY n +1 10 LYS n +1 11 LEU n +1 12 PRO n +1 13 PRO n +1 14 GLY n +1 15 PRO n +1 16 THR n +1 17 PRO n +1 18 LEU n +1 19 PRO n +1 20 ILE n +1 21 ILE n +1 22 GLY n +1 23 ASN n +1 24 MET n +1 25 LEU n +1 26 GLN n +1 27 ILE n +1 28 ASP n +1 29 VAL n +1 30 LYS n +1 31 ASP n +1 32 ILE n +1 33 CYS n +1 34 LYS n +1 35 SER n +1 36 PHE n +1 37 THR n +1 38 ASN n +1 39 PHE n +1 40 SER n +1 41 LYS n +1 42 VAL n +1 43 TYR n +1 44 GLY n +1 45 PRO n +1 46 VAL n +1 47 PHE n +1 48 THR n +1 49 VAL n +1 50 TYR n +1 51 PHE n +1 52 GLY n +1 53 MET n +1 54 ASN n +1 55 PRO n +1 56 ILE n +1 57 VAL n +1 58 VAL n +1 59 PHE n +1 60 HIS n +1 61 GLY n +1 62 TYR n +1 63 GLU n +1 64 ALA n +1 65 VAL n +1 66 LYS n +1 67 GLU n +1 68 ALA n +1 69 LEU n +1 70 ILE n +1 71 ASP n +1 72 ASN n +1 73 GLY n +1 74 GLU n +1 75 GLU n +1 76 PHE n +1 77 SER n +1 78 GLY n +1 79 ARG n +1 80 GLY n +1 81 ASN n +1 82 SER n +1 83 PRO n +1 84 ILE n +1 85 SER n +1 86 GLN n +1 87 ARG n +1 88 ILE n +1 89 THR n +1 90 LYS n +1 91 GLY n +1 92 LEU n +1 93 GLY n +1 94 ILE n +1 95 ILE n +1 96 SER n +1 97 SER n +1 98 ASN n +1 99 GLY n +1 100 LYS n +1 101 ARG n +1 102 TRP n +1 103 LYS n +1 104 GLU n +1 105 ILE n +1 106 ARG n +1 107 ARG n +1 108 PHE n +1 109 SER n +1 110 LEU n +1 111 THR n +1 112 THR n +1 113 LEU n +1 114 ARG n +1 115 ASN n +1 116 PHE n +1 117 GLY n +1 118 MET n +1 119 GLY n +1 120 LYS n +1 121 ARG n +1 122 SER n +1 123 ILE n +1 124 GLU n +1 125 ASP n +1 126 ARG n +1 127 VAL n +1 128 GLN n +1 129 GLU n +1 130 GLU n +1 131 ALA n +1 132 HIS n +1 133 CYS n +1 134 LEU n +1 135 VAL n +1 136 GLU n +1 137 GLU n +1 138 LEU n +1 139 ARG n +1 140 LYS n +1 141 THR n +1 142 LYS n +1 143 ALA n +1 144 SER n +1 145 PRO n +1 146 CYS n +1 147 ASP n +1 148 PRO n +1 149 THR n +1 150 PHE n +1 151 ILE n +1 152 LEU n +1 153 GLY n +1 154 CYS n +1 155 ALA n +1 156 PRO n +1 157 CYS n +1 158 ASN n +1 159 VAL n +1 160 ILE n +1 161 CYS n +1 162 SER n +1 163 VAL n +1 164 VAL n +1 165 PHE n +1 166 GLN n +1 167 LYS n +1 168 ARG n +1 169 PHE n +1 170 ASP n +1 171 TYR n +1 172 LYS n +1 173 ASP n +1 174 GLN n +1 175 ASN n +1 176 PHE n +1 177 LEU n +1 178 THR n +1 179 LEU n +1 180 MET n +1 181 LYS n +1 182 ARG n +1 183 PHE n +1 184 ASN n +1 185 GLU n +1 186 ASN n +1 187 PHE n +1 188 ARG n +1 189 ILE n +1 190 LEU n +1 191 ASN n +1 192 SER n +1 193 PRO n +1 194 TRP n +1 195 ILE n +1 196 GLN n +1 197 VAL n +1 198 CYS n +1 199 ASN n +1 200 ASN n +1 201 PHE n +1 202 PRO n +1 203 LEU n +1 204 LEU n +1 205 ILE n +1 206 ASP n +1 207 CYS n +1 208 PHE n +1 209 PRO n +1 210 GLY n +1 211 THR n +1 212 HIS n +1 213 ASN n +1 214 LYS n +1 215 VAL n +1 216 LEU n +1 217 LYS n +1 218 ASN n +1 219 VAL n +1 220 ALA n +1 221 LEU n +1 222 THR n +1 223 ARG n +1 224 SER n +1 225 TYR n +1 226 ILE n +1 227 ARG n +1 228 GLU n +1 229 LYS n +1 230 VAL n +1 231 LYS n +1 232 GLU n +1 233 HIS n +1 234 GLN n +1 235 ALA n +1 236 SER n +1 237 LEU n +1 238 ASP n +1 239 VAL n +1 240 ASN n +1 241 ASN n +1 242 PRO n +1 243 ARG n +1 244 ASP n +1 245 PHE n +1 246 ILE n +1 247 ASP n +1 248 CYS n +1 249 PHE n +1 250 LEU n +1 251 ILE n +1 252 LYS n +1 253 MET n +1 254 GLU n +1 255 GLN n +1 256 GLU n +1 257 LYS n +1 258 ASP n +1 259 ASN n +1 260 GLN n +1 261 LYS n +1 262 SER n +1 263 GLU n +1 264 PHE n +1 265 ASN n +1 266 ILE n +1 267 GLU n +1 268 ASN n +1 269 LEU n +1 270 VAL n +1 271 GLY n +1 272 THR n +1 273 VAL n +1 274 ALA n +1 275 ASP n +1 276 LEU n +1 277 PHE n +1 278 VAL n +1 279 ALA n +1 280 GLY n +1 281 THR n +1 282 GLU n +1 283 THR n +1 284 THR n +1 285 SER n +1 286 THR n +1 287 THR n +1 288 LEU n +1 289 ARG n +1 290 TYR n +1 291 GLY n +1 292 LEU n +1 293 LEU n +1 294 LEU n +1 295 LEU n +1 296 LEU n +1 297 LYS n +1 298 HIS n +1 299 PRO n +1 300 GLU n +1 301 VAL n +1 302 THR n +1 303 ALA n +1 304 LYS n +1 305 VAL n +1 306 GLN n +1 307 GLU n +1 308 GLU n +1 309 ILE n +1 310 ASP n +1 311 HIS n +1 312 VAL n +1 313 ILE n +1 314 GLY n +1 315 ARG n +1 316 HIS n +1 317 ARG n +1 318 SER n +1 319 PRO n +1 320 CYS n +1 321 MET n +1 322 GLN n +1 323 ASP n +1 324 ARG n +1 325 SER n +1 326 HIS n +1 327 MET n +1 328 PRO n +1 329 TYR n +1 330 THR n +1 331 ASP n +1 332 ALA n +1 333 VAL n +1 334 VAL n +1 335 HIS n +1 336 GLU n +1 337 ILE n +1 338 GLN n +1 339 ARG n +1 340 TYR n +1 341 SER n +1 342 ASP n +1 343 LEU n +1 344 VAL n +1 345 PRO n +1 346 THR n +1 347 GLY n +1 348 VAL n +1 349 PRO n +1 350 HIS n +1 351 ALA n +1 352 VAL n +1 353 THR n +1 354 THR n +1 355 ASP n +1 356 THR n +1 357 LYS n +1 358 PHE n +1 359 ARG n +1 360 ASN n +1 361 TYR n +1 362 LEU n +1 363 ILE n +1 364 PRO n +1 365 LYS n +1 366 GLY n +1 367 THR n +1 368 THR n +1 369 ILE n +1 370 MET n +1 371 ALA n +1 372 LEU n +1 373 LEU n +1 374 THR n +1 375 SER n +1 376 VAL n +1 377 LEU n +1 378 HIS n +1 379 ASP n +1 380 ASP n +1 381 LYS n +1 382 GLU n +1 383 PHE n +1 384 PRO n +1 385 ASN n +1 386 PRO n +1 387 ASN n +1 388 ILE n +1 389 PHE n +1 390 ASP n +1 391 PRO n +1 392 GLY n +1 393 HIS n +1 394 PHE n +1 395 LEU n +1 396 ASP n +1 397 LYS n +1 398 ASN n +1 399 GLY n +1 400 ASN n +1 401 PHE n +1 402 LYS n +1 403 LYS n +1 404 SER n +1 405 ASP n +1 406 TYR n +1 407 PHE n +1 408 MET n +1 409 PRO n +1 410 PHE n +1 411 SER n +1 412 ALA n +1 413 GLY n +1 414 LYS n +1 415 ARG n +1 416 ILE n +1 417 CYS n +1 418 ALA n +1 419 GLY n +1 420 GLU n +1 421 GLY n +1 422 LEU n +1 423 ALA n +1 424 ARG n +1 425 MET n +1 426 GLU n +1 427 LEU n +1 428 PHE n +1 429 LEU n +1 430 PHE n +1 431 LEU n +1 432 THR n +1 433 THR n +1 434 ILE n +1 435 LEU n +1 436 GLN n +1 437 ASN n +1 438 PHE n +1 439 ASN n +1 440 LEU n +1 441 LYS n +1 442 SER n +1 443 VAL n +1 444 ASP n +1 445 ASP n +1 446 LEU n +1 447 LYS n +1 448 ASN n +1 449 LEU n +1 450 ASN n +1 451 THR n +1 452 THR n +1 453 ALA n +1 454 VAL n +1 455 THR n +1 456 LYS n +1 457 GLY n +1 458 ILE n +1 459 VAL n +1 460 SER n +1 461 LEU n +1 462 PRO n +1 463 PRO n +1 464 SER n +1 465 TYR n +1 466 GLN n +1 467 ILE n +1 468 CYS n +1 469 PHE n +1 470 ILE n +1 471 PRO n +1 472 VAL n +1 473 HIS n +1 474 HIS n +1 475 HIS n +1 476 HIS n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_alt_source_flag sample +_entity_src_gen.pdbx_seq_type ? +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? +_entity_src_gen.gene_src_common_name human +_entity_src_gen.gene_src_genus Homo +_entity_src_gen.pdbx_gene_src_gene CYP2C8 +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain ? +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 +_entity_src_gen.pdbx_gene_src_variant ? +_entity_src_gen.pdbx_gene_src_cell_line ? +_entity_src_gen.pdbx_gene_src_atcc ? +_entity_src_gen.pdbx_gene_src_organ ? +_entity_src_gen.pdbx_gene_src_organelle ? +_entity_src_gen.pdbx_gene_src_cell ? +_entity_src_gen.pdbx_gene_src_cellular_location ? +_entity_src_gen.host_org_common_name ? +_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 +_entity_src_gen.host_org_genus Escherichia +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species ? +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain ? +_entity_src_gen.pdbx_host_org_variant ? +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type Plasmid +_entity_src_gen.pdbx_host_org_vector ? +_entity_src_gen.host_org_details ? +_entity_src_gen.expression_system_id ? +_entity_src_gen.plasmid_name pCW +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description ? +# +_struct_ref.id 1 +_struct_ref.entity_id 1 +_struct_ref.db_name UNP +_struct_ref.db_code CP2C8_HUMAN +_struct_ref.pdbx_db_accession P10632 +_struct_ref.pdbx_align_begin 28 +_struct_ref.pdbx_seq_one_letter_code +;KLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRIT +KGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRF +DYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCF +LIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPY +TDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMP +FSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV +; +_struct_ref.pdbx_db_isoform ? +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 2NNJ +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 10 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 472 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession P10632 +_struct_ref_seq.db_align_beg 28 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 490 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 28 +_struct_ref_seq.pdbx_auth_seq_align_end 490 +# +loop_ +_struct_ref_seq_dif.align_id +_struct_ref_seq_dif.pdbx_pdb_id_code +_struct_ref_seq_dif.mon_id +_struct_ref_seq_dif.pdbx_pdb_strand_id +_struct_ref_seq_dif.seq_num +_struct_ref_seq_dif.pdbx_pdb_ins_code +_struct_ref_seq_dif.pdbx_seq_db_name +_struct_ref_seq_dif.pdbx_seq_db_accession_code +_struct_ref_seq_dif.db_mon_id +_struct_ref_seq_dif.pdbx_seq_db_seq_num +_struct_ref_seq_dif.details +_struct_ref_seq_dif.pdbx_auth_seq_num +_struct_ref_seq_dif.pdbx_ordinal +1 2NNJ MET A 1 ? UNP P10632 ? ? 'EXPRESSION TAG' 19 1 +1 2NNJ ALA A 2 ? UNP P10632 ? ? 'EXPRESSION TAG' 20 2 +1 2NNJ LYS A 3 ? UNP P10632 ? ? 'EXPRESSION TAG' 21 3 +1 2NNJ LYS A 4 ? UNP P10632 ? ? 'EXPRESSION TAG' 22 4 +1 2NNJ THR A 5 ? UNP P10632 ? ? 'EXPRESSION TAG' 23 5 +1 2NNJ SER A 6 ? UNP P10632 ? ? 'EXPRESSION TAG' 24 6 +1 2NNJ SER A 7 ? UNP P10632 ? ? 'EXPRESSION TAG' 25 7 +1 2NNJ LYS A 8 ? UNP P10632 ? ? 'EXPRESSION TAG' 26 8 +1 2NNJ GLY A 9 ? UNP P10632 ? ? 'EXPRESSION TAG' 27 9 +1 2NNJ HIS A 473 ? UNP P10632 ? ? 'EXPRESSION TAG' 491 10 +1 2NNJ HIS A 474 ? UNP P10632 ? ? 'EXPRESSION TAG' 492 11 +1 2NNJ HIS A 475 ? UNP P10632 ? ? 'EXPRESSION TAG' 493 12 +1 2NNJ HIS A 476 ? UNP P10632 ? ? 'EXPRESSION TAG' 494 13 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +225 non-polymer . FELODIPINE +'ethyl methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate' 'C18 H19 Cl2 N O4' 384.254 +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HEM non-polymer . 'PROTOPORPHYRIN IX CONTAINING FE' HEME 'C34 H32 Fe N4 O4' 616.487 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 +HOH non-polymer . WATER ? 'H2 O' 18.015 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PLM non-polymer . 'PALMITIC ACID' ? 'C16 H32 O2' 256.424 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +# +_exptl.entry_id 2NNJ +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 3.91 +_exptl_crystal.density_percent_sol 68.53 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' +_exptl_crystal_grow.temp 294 +_exptl_crystal_grow.pH 7.5 +_exptl_crystal_grow.pdbx_details 'PEG 3350, HEPES, LiSO4, MeOH, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K' +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pdbx_pH_range . +# +_diffrn.id 1 +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type 'ADSC QUANTUM 315' +_diffrn_detector.pdbx_collection_date ? +_diffrn_detector.details +'Double-crystal monochromator, 1m long Rh coated bent cylindrical mirror for horizontal and vertical focussing' +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator 'Double-crystal monochromator' +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.98 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'SSRL BEAMLINE BL1-5' +_diffrn_source.pdbx_synchrotron_site SSRL +_diffrn_source.pdbx_synchrotron_beamline BL1-5 +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_wavelength_list 0.98 +# +_reflns.entry_id 2NNJ +_reflns.observed_criterion_sigma_F 0 +_reflns.observed_criterion_sigma_I 0 +_reflns.d_resolution_high 2.28 +_reflns.d_resolution_low 50 +_reflns.number_all 38962 +_reflns.number_obs 38962 +_reflns.percent_possible_obs 99.6 +_reflns.pdbx_Rmerge_I_obs ? +_reflns.pdbx_Rsym_value 0.063 +_reflns.pdbx_netI_over_sigmaI 8.7 +_reflns.B_iso_Wilson_estimate ? +_reflns.pdbx_redundancy 7.2 +_reflns.R_free_details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.pdbx_chi_squared ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_ordinal 1 +_reflns.pdbx_diffrn_id 1 +# +_reflns_shell.d_res_high 2.28 +_reflns_shell.d_res_low 2.35 +_reflns_shell.percent_possible_all 97.6 +_reflns_shell.Rmerge_I_obs ? +_reflns_shell.pdbx_Rsym_value 0.381 +_reflns_shell.meanI_over_sigI_obs 1.8 +_reflns_shell.pdbx_redundancy 7.4 +_reflns_shell.percent_possible_obs ? +_reflns_shell.number_unique_all ? +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.number_unique_obs ? +_reflns_shell.pdbx_chi_squared ? +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.pdbx_diffrn_id 1 +# +_refine.entry_id 2NNJ +_refine.ls_d_res_high 2.28 +_refine.ls_d_res_low 50 +_refine.pdbx_ls_sigma_F 0 +_refine.pdbx_ls_sigma_I 0 +_refine.ls_number_reflns_all 38962 +_refine.ls_number_reflns_obs 38962 +_refine.ls_number_reflns_R_free 36898 +_refine.ls_percent_reflns_obs 99.45 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_obs ? +_refine.ls_R_factor_R_work 0.24 +_refine.ls_R_factor_R_free 0.27 +_refine.ls_redundancy_reflns_obs ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_starting_model 1PQ2 +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.pdbx_R_Free_selection_details random +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_stereochemistry_target_values 'Engh & Huber' +_refine.solvent_model_details ? +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.pdbx_isotropic_thermal_model ? +_refine.B_iso_mean ? +_refine.aniso_B[1][1] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[2][3] ? +_refine.aniso_B[3][3] ? +_refine.details ? +_refine.overall_SU_B ? +_refine.overall_SU_ML ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.B_iso_min ? +_refine.B_iso_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_overall_phase_error ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 3693 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 101 +_refine_hist.number_atoms_solvent 179 +_refine_hist.number_atoms_total 3973 +_refine_hist.d_res_high 2.28 +_refine_hist.d_res_low 50 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.number +_refine_ls_restr.weight +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +c_bond_d 0.007 ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_deg 1.30 ? ? ? 'X-RAY DIFFRACTION' ? +c_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? +c_improper_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? +c_mcbond_it 1.437 1.5 ? ? 'X-RAY DIFFRACTION' ? +c_mcangle_it 2.344 2.0 ? ? 'X-RAY DIFFRACTION' ? +c_scbond_it 2.208 2.0 ? ? 'X-RAY DIFFRACTION' ? +c_scangle_it 3.227 2.5 ? ? 'X-RAY DIFFRACTION' ? +# +_struct.entry_id 2NNJ +_struct.title 'CYP2C8dH complexed with felodipine' +_struct.pdbx_descriptor 'Cytochrome P450 2C8 (E.C.1.14.14.1)' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag N +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 2NNJ +_struct_keywords.pdbx_keywords 'OXIDOREDUCTASE,ELECTRON TRANSPORT' +_struct_keywords.text +'CYP2C8; Human P450 2C8; monooxygenases; Felodipine; Plendil; inhibitor complex; palmitic acid, OXIDOREDUCTASE, ELECTRON TRANSPORT' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 2 ? +D N N 2 ? +E N N 3 ? +F N N 4 ? +G N N 5 ? +H N N 6 ? +# +_struct_biol.id 1 +_struct_biol.details ? +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 1 ASN A 23 ? ILE A 27 ? ASN A 41 ILE A 45 5 ? 5 +HELX_P HELX_P2 2 ASP A 31 ? GLY A 44 ? ASP A 49 GLY A 62 1 ? 14 +HELX_P HELX_P3 3 GLY A 61 ? ILE A 70 ? GLY A 79 ILE A 88 1 ? 10 +HELX_P HELX_P4 4 SER A 82 ? LYS A 90 ? SER A 100 LYS A 108 1 ? 9 +HELX_P HELX_P5 5 ASN A 98 ? LEU A 113 ? ASN A 116 LEU A 131 1 ? 16 +HELX_P HELX_P6 6 SER A 122 ? LYS A 140 ? SER A 140 LYS A 158 1 ? 19 +HELX_P HELX_P7 7 PRO A 148 ? PHE A 165 ? PRO A 166 PHE A 183 1 ? 18 +HELX_P HELX_P8 8 ASP A 173 ? ASN A 191 ? ASP A 191 ASN A 209 1 ? 19 +HELX_P HELX_P9 9 PRO A 193 ? PHE A 201 ? PRO A 211 PHE A 219 1 ? 9 +HELX_P HELX_P10 10 PRO A 202 ? CYS A 207 ? PRO A 220 CYS A 225 5 ? 6 +HELX_P HELX_P11 11 PHE A 208 ? ALA A 235 ? PHE A 226 ALA A 253 1 ? 28 +HELX_P HELX_P12 12 ASP A 244 ? GLU A 256 ? ASP A 262 GLU A 274 1 ? 13 +HELX_P HELX_P13 13 ASN A 265 ? THR A 281 ? ASN A 283 THR A 299 1 ? 17 +HELX_P HELX_P14 14 THR A 281 ? HIS A 298 ? THR A 299 HIS A 316 1 ? 18 +HELX_P HELX_P15 15 HIS A 298 ? ILE A 313 ? HIS A 316 ILE A 331 1 ? 16 +HELX_P HELX_P16 16 CYS A 320 ? HIS A 326 ? CYS A 338 HIS A 344 5 ? 7 +HELX_P HELX_P17 17 MET A 327 ? ASP A 342 ? MET A 345 ASP A 360 1 ? 16 +HELX_P HELX_P18 18 LEU A 372 ? HIS A 378 ? LEU A 390 HIS A 396 1 ? 7 +HELX_P HELX_P19 19 ASP A 390 ? LEU A 395 ? ASP A 408 LEU A 413 5 ? 6 +HELX_P HELX_P20 20 ALA A 412 ? ILE A 416 ? ALA A 430 ILE A 434 5 ? 5 +HELX_P HELX_P21 21 GLY A 419 ? ASN A 437 ? GLY A 437 ASN A 455 1 ? 19 +HELX_P HELX_P22 22 ASP A 445 ? LEU A 449 ? ASP A 463 LEU A 467 5 ? 5 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +_struct_conn.id metalc1 +_struct_conn.conn_type_id metalc +_struct_conn.pdbx_leaving_atom_flag ? +_struct_conn.pdbx_PDB_id ? +_struct_conn.ptnr1_label_asym_id A +_struct_conn.ptnr1_label_comp_id CYS +_struct_conn.ptnr1_label_seq_id 417 +_struct_conn.ptnr1_label_atom_id SG +_struct_conn.pdbx_ptnr1_label_alt_id ? +_struct_conn.pdbx_ptnr1_PDB_ins_code ? +_struct_conn.pdbx_ptnr1_standard_comp_id ? +_struct_conn.ptnr1_symmetry 1_555 +_struct_conn.ptnr2_label_asym_id E +_struct_conn.ptnr2_label_comp_id HEM +_struct_conn.ptnr2_label_seq_id . +_struct_conn.ptnr2_label_atom_id FE +_struct_conn.pdbx_ptnr2_label_alt_id ? +_struct_conn.pdbx_ptnr2_PDB_ins_code ? +_struct_conn.ptnr1_auth_asym_id A +_struct_conn.ptnr1_auth_comp_id CYS +_struct_conn.ptnr1_auth_seq_id 435 +_struct_conn.ptnr2_auth_asym_id A +_struct_conn.ptnr2_auth_comp_id HEM +_struct_conn.ptnr2_auth_seq_id 500 +_struct_conn.ptnr2_symmetry 1_555 +_struct_conn.pdbx_ptnr3_label_atom_id ? +_struct_conn.pdbx_ptnr3_label_seq_id ? +_struct_conn.pdbx_ptnr3_label_comp_id ? +_struct_conn.pdbx_ptnr3_label_asym_id ? +_struct_conn.pdbx_ptnr3_label_alt_id ? +_struct_conn.pdbx_ptnr3_PDB_ins_code ? +_struct_conn.details ? +_struct_conn.pdbx_dist_value 2.320 +_struct_conn.pdbx_value_order ? +# +_struct_conn_type.id metalc +_struct_conn_type.criteria ? +_struct_conn_type.reference ? +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +A ? 5 ? +B ? 2 ? +C ? 2 ? +D ? 2 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 ? anti-parallel +A 2 3 ? parallel +A 3 4 ? anti-parallel +A 4 5 ? anti-parallel +B 1 2 ? anti-parallel +C 1 2 ? anti-parallel +D 1 2 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +A 1 VAL A 46 ? PHE A 51 ? VAL A 64 PHE A 69 +A 2 ASN A 54 ? PHE A 59 ? ASN A 72 PHE A 77 +A 3 THR A 368 ? ALA A 371 ? THR A 386 ALA A 389 +A 4 HIS A 350 ? ALA A 351 ? HIS A 368 ALA A 369 +A 5 GLY A 78 ? ARG A 79 ? GLY A 96 ARG A 97 +B 1 THR A 356 ? PHE A 358 ? THR A 374 PHE A 376 +B 2 TYR A 361 ? ILE A 363 ? TYR A 379 ILE A 381 +C 1 PHE A 438 ? LYS A 441 ? PHE A 456 LYS A 459 +C 2 CYS A 468 ? PRO A 471 ? CYS A 486 PRO A 489 +D 1 THR A 455 ? LYS A 456 ? THR A 473 LYS A 474 +D 2 SER A 460 ? LEU A 461 ? SER A 478 LEU A 479 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 N PHE A 47 ? N PHE A 65 O VAL A 58 ? O VAL A 76 +A 2 3 N PHE A 59 ? N PHE A 77 O MET A 370 ? O MET A 388 +A 3 4 O ILE A 369 ? O ILE A 387 N HIS A 350 ? N HIS A 368 +A 4 5 O ALA A 351 ? O ALA A 369 N GLY A 78 ? N GLY A 96 +B 1 2 N THR A 356 ? N THR A 374 O ILE A 363 ? O ILE A 381 +C 1 2 N LYS A 441 ? N LYS A 459 O CYS A 468 ? O CYS A 486 +D 1 2 N THR A 455 ? N THR A 473 O LEU A 461 ? O LEU A 479 +# +loop_ +_struct_site.id +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +_struct_site.pdbx_num_residues +_struct_site.details +AC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 503' +AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 504' +AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 505' +AC4 Software ? ? ? ? 19 'BINDING SITE FOR RESIDUE HEM A 500' +AC5 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE 225 A 501' +AC6 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE PLM A 502' +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 5 ARG A 107 ? ARG A 125 . ? 8_454 ? +2 AC1 5 GLY A 314 ? GLY A 332 . ? 1_555 ? +3 AC1 5 ARG A 315 ? ARG A 333 . ? 1_555 ? +4 AC1 5 HIS A 316 ? HIS A 334 . ? 1_555 ? +5 AC1 5 HOH H . ? HOH A 670 . ? 1_555 ? +6 AC2 4 ARG A 114 ? ARG A 132 . ? 1_555 ? +7 AC2 4 ASN A 115 ? ASN A 133 . ? 1_555 ? +8 AC2 4 HOH H . ? HOH A 560 . ? 1_555 ? +9 AC2 4 HOH H . ? HOH A 631 . ? 1_555 ? +10 AC3 5 VAL A 312 ? VAL A 330 . ? 1_555 ? +11 AC3 5 ILE A 313 ? ILE A 331 . ? 1_555 ? +12 AC3 5 ARG A 317 ? ARG A 335 . ? 1_555 ? +13 AC3 5 HOH H . ? HOH A 578 . ? 1_555 ? +14 AC3 5 HOH H . ? HOH A 579 . ? 1_555 ? +15 AC4 19 ARG A 79 ? ARG A 97 . ? 1_555 ? +16 AC4 19 ILE A 94 ? ILE A 112 . ? 1_555 ? +17 AC4 19 TRP A 102 ? TRP A 120 . ? 1_555 ? +18 AC4 19 ARG A 106 ? ARG A 124 . ? 1_555 ? +19 AC4 19 ALA A 279 ? ALA A 297 . ? 1_555 ? +20 AC4 19 GLY A 280 ? GLY A 298 . ? 1_555 ? +21 AC4 19 THR A 283 ? THR A 301 . ? 1_555 ? +22 AC4 19 THR A 284 ? THR A 302 . ? 1_555 ? +23 AC4 19 LEU A 343 ? LEU A 361 . ? 1_555 ? +24 AC4 19 VAL A 348 ? VAL A 366 . ? 1_555 ? +25 AC4 19 HIS A 350 ? HIS A 368 . ? 1_555 ? +26 AC4 19 PRO A 409 ? PRO A 427 . ? 1_555 ? +27 AC4 19 PHE A 410 ? PHE A 428 . ? 1_555 ? +28 AC4 19 SER A 411 ? SER A 429 . ? 1_555 ? +29 AC4 19 ARG A 415 ? ARG A 433 . ? 1_555 ? +30 AC4 19 CYS A 417 ? CYS A 435 . ? 1_555 ? +31 AC4 19 ALA A 418 ? ALA A 436 . ? 1_555 ? +32 AC4 19 225 F . ? 225 A 501 . ? 1_555 ? +33 AC4 19 HOH H . ? HOH A 583 . ? 1_555 ? +34 AC5 5 VAL A 278 ? VAL A 296 . ? 1_555 ? +35 AC5 5 THR A 283 ? THR A 301 . ? 1_555 ? +36 AC5 5 GLY A 347 ? GLY A 365 . ? 1_555 ? +37 AC5 5 VAL A 348 ? VAL A 366 . ? 1_555 ? +38 AC5 5 HEM E . ? HEM A 500 . ? 1_555 ? +39 AC6 8 ILE A 88 ? ILE A 106 . ? 1_555 ? +40 AC6 8 PHE A 208 ? PHE A 226 . ? 2_655 ? +41 AC6 8 PRO A 209 ? PRO A 227 . ? 2_655 ? +42 AC6 8 GLY A 210 ? GLY A 228 . ? 2_655 ? +43 AC6 8 THR A 211 ? THR A 229 . ? 2_655 ? +44 AC6 8 HIS A 212 ? HIS A 230 . ? 1_555 ? +45 AC6 8 LEU A 216 ? LEU A 234 . ? 1_555 ? +46 AC6 8 HOH H . ? HOH A 660 . ? 1_555 ? +# +_atom_sites.entry_id 2NNJ +_atom_sites.fract_transf_matrix[1][1] 0.013439 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.007183 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.006126 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +CL +FE +N +O +S +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . LYS A 1 10 ? 59.794 20.436 2.834 1.00 59.37 ? 28 LYS A N 1 +ATOM 2 C CA . LYS A 1 10 ? 58.619 21.292 3.162 1.00 57.74 ? 28 LYS A CA 1 +ATOM 3 C C . LYS A 1 10 ? 57.721 21.595 1.955 1.00 56.14 ? 28 LYS A C 1 +ATOM 4 O O . LYS A 1 10 ? 57.735 22.700 1.402 1.00 55.51 ? 28 LYS A O 1 +ATOM 5 C CB . LYS A 1 10 ? 59.093 22.595 3.825 1.00 58.83 ? 28 LYS A CB 1 +ATOM 6 C CG . LYS A 1 10 ? 60.417 23.138 3.300 1.00 60.52 ? 28 LYS A CG 1 +ATOM 7 C CD . LYS A 1 10 ? 60.897 24.315 4.136 1.00 64.10 ? 28 LYS A CD 1 +ATOM 8 C CE . LYS A 1 10 ? 62.275 24.789 3.700 1.00 65.33 ? 28 LYS A CE 1 +ATOM 9 N NZ . LYS A 1 10 ? 62.689 26.012 4.449 1.00 67.32 ? 28 LYS A NZ 1 +ATOM 10 N N . LEU A 1 11 ? 56.941 20.592 1.557 1.00 53.25 ? 29 LEU A N 1 +ATOM 11 C CA . LEU A 1 11 ? 56.004 20.713 0.445 1.00 50.20 ? 29 LEU A CA 1 +ATOM 12 C C . LEU A 1 11 ? 54.845 21.623 0.850 1.00 49.21 ? 29 LEU A C 1 +ATOM 13 O O . LEU A 1 11 ? 54.518 21.714 2.032 1.00 49.12 ? 29 LEU A O 1 +ATOM 14 C CB . LEU A 1 11 ? 55.442 19.341 0.075 1.00 48.03 ? 29 LEU A CB 1 +ATOM 15 C CG . LEU A 1 11 ? 56.276 18.360 -0.749 1.00 47.32 ? 29 LEU A CG 1 +ATOM 16 C CD1 . LEU A 1 11 ? 55.576 17.007 -0.744 1.00 44.25 ? 29 LEU A CD1 1 +ATOM 17 C CD2 . LEU A 1 11 ? 56.447 18.875 -2.180 1.00 45.33 ? 29 LEU A CD2 1 +ATOM 18 N N . PRO A 1 12 ? 54.213 22.314 -0.122 1.00 47.89 ? 30 PRO A N 1 +ATOM 19 C CA . PRO A 1 12 ? 53.085 23.201 0.188 1.00 46.96 ? 30 PRO A CA 1 +ATOM 20 C C . PRO A 1 12 ? 51.951 22.432 0.881 1.00 45.29 ? 30 PRO A C 1 +ATOM 21 O O . PRO A 1 12 ? 51.769 21.247 0.629 1.00 42.90 ? 30 PRO A O 1 +ATOM 22 C CB . PRO A 1 12 ? 52.668 23.717 -1.187 1.00 46.91 ? 30 PRO A CB 1 +ATOM 23 C CG . PRO A 1 12 ? 53.949 23.745 -1.932 1.00 47.22 ? 30 PRO A CG 1 +ATOM 24 C CD . PRO A 1 12 ? 54.576 22.426 -1.546 1.00 47.88 ? 30 PRO A CD 1 +ATOM 25 N N . PRO A 1 13 ? 51.174 23.099 1.757 1.00 46.15 ? 31 PRO A N 1 +ATOM 26 C CA . PRO A 1 13 ? 50.073 22.412 2.450 1.00 46.14 ? 31 PRO A CA 1 +ATOM 27 C C . PRO A 1 13 ? 49.010 21.907 1.477 1.00 45.06 ? 31 PRO A C 1 +ATOM 28 O O . PRO A 1 13 ? 49.014 22.274 0.304 1.00 45.42 ? 31 PRO A O 1 +ATOM 29 C CB . PRO A 1 13 ? 49.523 23.489 3.386 1.00 46.48 ? 31 PRO A CB 1 +ATOM 30 C CG . PRO A 1 13 ? 50.716 24.358 3.640 1.00 48.16 ? 31 PRO A CG 1 +ATOM 31 C CD . PRO A 1 13 ? 51.304 24.478 2.256 1.00 46.51 ? 31 PRO A CD 1 +ATOM 32 N N . GLY A 1 14 ? 48.104 21.072 1.977 1.00 43.65 ? 32 GLY A N 1 +ATOM 33 C CA . GLY A 1 14 ? 47.044 20.532 1.149 1.00 42.45 ? 32 GLY A CA 1 +ATOM 34 C C . GLY A 1 14 ? 46.117 19.650 1.961 1.00 42.17 ? 32 GLY A C 1 +ATOM 35 O O . GLY A 1 14 ? 46.300 19.536 3.178 1.00 41.05 ? 32 GLY A O 1 +ATOM 36 N N . PRO A 1 15 ? 45.116 19.012 1.329 1.00 41.43 ? 33 PRO A N 1 +ATOM 37 C CA . PRO A 1 15 ? 44.203 18.151 2.086 1.00 42.44 ? 33 PRO A CA 1 +ATOM 38 C C . PRO A 1 15 ? 44.975 16.940 2.592 1.00 42.57 ? 33 PRO A C 1 +ATOM 39 O O . PRO A 1 15 ? 45.866 16.436 1.908 1.00 41.17 ? 33 PRO A O 1 +ATOM 40 C CB . PRO A 1 15 ? 43.147 17.747 1.055 1.00 42.85 ? 33 PRO A CB 1 +ATOM 41 C CG . PRO A 1 15 ? 43.360 18.693 -0.102 1.00 43.45 ? 33 PRO A CG 1 +ATOM 42 C CD . PRO A 1 15 ? 44.828 18.920 -0.110 1.00 41.70 ? 33 PRO A CD 1 +ATOM 43 N N . THR A 1 16 ? 44.631 16.488 3.792 1.00 43.77 ? 34 THR A N 1 +ATOM 44 C CA . THR A 1 16 ? 45.279 15.335 4.403 1.00 42.42 ? 34 THR A CA 1 +ATOM 45 C C . THR A 1 16 ? 45.013 14.099 3.545 1.00 40.07 ? 34 THR A C 1 +ATOM 46 O O . THR A 1 16 ? 43.864 13.757 3.285 1.00 38.56 ? 34 THR A O 1 +ATOM 47 C CB . THR A 1 16 ? 44.730 15.103 5.822 1.00 44.55 ? 34 THR A CB 1 +ATOM 48 O OG1 . THR A 1 16 ? 44.920 16.298 6.595 1.00 45.44 ? 34 THR A OG1 1 +ATOM 49 C CG2 . THR A 1 16 ? 45.448 13.926 6.499 1.00 43.84 ? 34 THR A CG2 1 +ATOM 50 N N . PRO A 1 17 ? 46.078 13.424 3.083 1.00 38.75 ? 35 PRO A N 1 +ATOM 51 C CA . PRO A 1 17 ? 45.877 12.233 2.255 1.00 40.10 ? 35 PRO A CA 1 +ATOM 52 C C . PRO A 1 17 ? 45.605 10.959 3.056 1.00 43.31 ? 35 PRO A C 1 +ATOM 53 O O . PRO A 1 17 ? 46.063 10.819 4.188 1.00 42.56 ? 35 PRO A O 1 +ATOM 54 C CB . PRO A 1 17 ? 47.187 12.133 1.484 1.00 37.54 ? 35 PRO A CB 1 +ATOM 55 C CG . PRO A 1 17 ? 48.192 12.588 2.508 1.00 37.39 ? 35 PRO A CG 1 +ATOM 56 C CD . PRO A 1 17 ? 47.510 13.790 3.143 1.00 38.16 ? 35 PRO A CD 1 +ATOM 57 N N . LEU A 1 18 ? 44.846 10.045 2.457 1.00 45.85 ? 36 LEU A N 1 +ATOM 58 C CA . LEU A 1 18 ? 44.576 8.761 3.077 1.00 47.40 ? 36 LEU A CA 1 +ATOM 59 C C . LEU A 1 18 ? 45.778 7.894 2.687 1.00 49.43 ? 36 LEU A C 1 +ATOM 60 O O . LEU A 1 18 ? 46.333 8.060 1.600 1.00 49.09 ? 36 LEU A O 1 +ATOM 61 C CB . LEU A 1 18 ? 43.263 8.167 2.561 1.00 47.98 ? 36 LEU A CB 1 +ATOM 62 C CG . LEU A 1 18 ? 41.970 8.924 2.897 1.00 48.69 ? 36 LEU A CG 1 +ATOM 63 C CD1 . LEU A 1 18 ? 40.789 8.110 2.406 1.00 49.36 ? 36 LEU A CD1 1 +ATOM 64 C CD2 . LEU A 1 18 ? 41.843 9.168 4.405 1.00 50.83 ? 36 LEU A CD2 1 +ATOM 65 N N . PRO A 1 19 ? 46.204 6.971 3.574 1.00 51.35 ? 37 PRO A N 1 +ATOM 66 C CA . PRO A 1 19 ? 47.342 6.053 3.403 1.00 51.10 ? 37 PRO A CA 1 +ATOM 67 C C . PRO A 1 19 ? 47.764 5.481 2.037 1.00 50.43 ? 37 PRO A C 1 +ATOM 68 O O . PRO A 1 19 ? 48.955 5.515 1.699 1.00 51.78 ? 37 PRO A O 1 +ATOM 69 C CB . PRO A 1 19 ? 47.026 4.945 4.404 1.00 52.60 ? 37 PRO A CB 1 +ATOM 70 C CG . PRO A 1 19 ? 46.456 5.718 5.538 1.00 53.50 ? 37 PRO A CG 1 +ATOM 71 C CD . PRO A 1 19 ? 45.499 6.665 4.839 1.00 52.67 ? 37 PRO A CD 1 +ATOM 72 N N . ILE A 1 20 ? 46.827 4.951 1.257 1.00 47.88 ? 38 ILE A N 1 +ATOM 73 C CA . ILE A 1 20 ? 47.202 4.345 -0.024 1.00 46.78 ? 38 ILE A CA 1 +ATOM 74 C C . ILE A 1 20 ? 46.725 5.099 -1.265 1.00 46.56 ? 38 ILE A C 1 +ATOM 75 O O . ILE A 1 20 ? 47.472 5.255 -2.238 1.00 44.77 ? 38 ILE A O 1 +ATOM 76 C CB . ILE A 1 20 ? 46.687 2.866 -0.100 1.00 48.03 ? 38 ILE A CB 1 +ATOM 77 C CG1 . ILE A 1 20 ? 47.202 2.057 1.109 1.00 46.86 ? 38 ILE A CG1 1 +ATOM 78 C CG2 . ILE A 1 20 ? 47.138 2.203 -1.414 1.00 48.71 ? 38 ILE A CG2 1 +ATOM 79 C CD1 . ILE A 1 20 ? 48.736 1.954 1.232 1.00 46.09 ? 38 ILE A CD1 1 +ATOM 80 N N . ILE A 1 21 ? 45.485 5.563 -1.226 1.00 45.27 ? 39 ILE A N 1 +ATOM 81 C CA . ILE A 1 21 ? 44.912 6.270 -2.355 1.00 46.83 ? 39 ILE A CA 1 +ATOM 82 C C . ILE A 1 21 ? 45.060 7.796 -2.327 1.00 44.47 ? 39 ILE A C 1 +ATOM 83 O O . ILE A 1 21 ? 44.540 8.474 -3.198 1.00 44.52 ? 39 ILE A O 1 +ATOM 84 C CB . ILE A 1 21 ? 43.415 5.866 -2.536 1.00 47.39 ? 39 ILE A CB 1 +ATOM 85 C CG1 . ILE A 1 21 ? 42.672 5.894 -1.198 1.00 48.54 ? 39 ILE A CG1 1 +ATOM 86 C CG2 . ILE A 1 21 ? 43.326 4.460 -3.116 1.00 48.58 ? 39 ILE A CG2 1 +ATOM 87 C CD1 . ILE A 1 21 ? 42.181 7.247 -0.783 1.00 49.46 ? 39 ILE A CD1 1 +ATOM 88 N N . GLY A 1 22 ? 45.780 8.323 -1.337 1.00 43.88 ? 40 GLY A N 1 +ATOM 89 C CA . GLY A 1 22 ? 45.979 9.762 -1.223 1.00 41.73 ? 40 GLY A CA 1 +ATOM 90 C C . GLY A 1 22 ? 44.672 10.528 -1.125 1.00 41.99 ? 40 GLY A C 1 +ATOM 91 O O . GLY A 1 22 ? 43.786 10.148 -0.360 1.00 42.72 ? 40 GLY A O 1 +ATOM 92 N N . ASN A 1 23 ? 44.541 11.599 -1.905 1.00 40.54 ? 41 ASN A N 1 +ATOM 93 C CA . ASN A 1 23 ? 43.321 12.409 -1.903 1.00 40.20 ? 41 ASN A CA 1 +ATOM 94 C C . ASN A 1 23 ? 42.356 12.032 -3.030 1.00 40.87 ? 41 ASN A C 1 +ATOM 95 O O . ASN A 1 23 ? 41.406 12.758 -3.298 1.00 40.18 ? 41 ASN A O 1 +ATOM 96 C CB . ASN A 1 23 ? 43.664 13.897 -2.030 1.00 38.57 ? 41 ASN A CB 1 +ATOM 97 C CG . ASN A 1 23 ? 44.679 14.358 -1.006 1.00 38.71 ? 41 ASN A CG 1 +ATOM 98 O OD1 . ASN A 1 23 ? 45.860 14.487 -1.306 1.00 37.22 ? 41 ASN A OD1 1 +ATOM 99 N ND2 . ASN A 1 23 ? 44.222 14.609 0.212 1.00 38.08 ? 41 ASN A ND2 1 +ATOM 100 N N . MET A 1 24 ? 42.598 10.895 -3.676 1.00 43.94 ? 42 MET A N 1 +ATOM 101 C CA . MET A 1 24 ? 41.772 10.422 -4.791 1.00 48.72 ? 42 MET A CA 1 +ATOM 102 C C . MET A 1 24 ? 40.258 10.450 -4.607 1.00 50.23 ? 42 MET A C 1 +ATOM 103 O O . MET A 1 24 ? 39.527 10.786 -5.541 1.00 50.75 ? 42 MET A O 1 +ATOM 104 C CB . MET A 1 24 ? 42.189 9.003 -5.194 1.00 51.08 ? 42 MET A CB 1 +ATOM 105 C CG . MET A 1 24 ? 43.483 8.938 -5.985 1.00 55.19 ? 42 MET A CG 1 +ATOM 106 S SD . MET A 1 24 ? 43.370 9.856 -7.523 1.00 59.69 ? 42 MET A SD 1 +ATOM 107 C CE . MET A 1 24 ? 42.413 8.701 -8.531 1.00 59.32 ? 42 MET A CE 1 +ATOM 108 N N . LEU A 1 25 ? 39.789 10.095 -3.414 1.00 52.35 ? 43 LEU A N 1 +ATOM 109 C CA . LEU A 1 25 ? 38.353 10.078 -3.131 1.00 54.07 ? 43 LEU A CA 1 +ATOM 110 C C . LEU A 1 25 ? 37.779 11.476 -2.927 1.00 54.20 ? 43 LEU A C 1 +ATOM 111 O O . LEU A 1 25 ? 36.564 11.668 -2.947 1.00 55.18 ? 43 LEU A O 1 +ATOM 112 C CB . LEU A 1 25 ? 38.073 9.209 -1.900 1.00 55.20 ? 43 LEU A CB 1 +ATOM 113 C CG . LEU A 1 25 ? 38.497 7.739 -2.029 1.00 57.37 ? 43 LEU A CG 1 +ATOM 114 C CD1 . LEU A 1 25 ? 38.332 7.049 -0.685 1.00 57.52 ? 43 LEU A CD1 1 +ATOM 115 C CD2 . LEU A 1 25 ? 37.672 7.035 -3.111 1.00 57.69 ? 43 LEU A CD2 1 +ATOM 116 N N . GLN A 1 26 ? 38.664 12.447 -2.739 1.00 54.41 ? 44 GLN A N 1 +ATOM 117 C CA . GLN A 1 26 ? 38.269 13.835 -2.541 1.00 54.85 ? 44 GLN A CA 1 +ATOM 118 C C . GLN A 1 26 ? 38.163 14.612 -3.850 1.00 54.55 ? 44 GLN A C 1 +ATOM 119 O O . GLN A 1 26 ? 37.587 15.700 -3.879 1.00 55.16 ? 44 GLN A O 1 +ATOM 120 C CB . GLN A 1 26 ? 39.273 14.534 -1.630 1.00 55.16 ? 44 GLN A CB 1 +ATOM 121 C CG . GLN A 1 26 ? 39.210 14.093 -0.190 1.00 57.03 ? 44 GLN A CG 1 +ATOM 122 C CD . GLN A 1 26 ? 40.246 14.782 0.664 1.00 58.85 ? 44 GLN A CD 1 +ATOM 123 O OE1 . GLN A 1 26 ? 41.412 14.384 0.690 1.00 57.49 ? 44 GLN A OE1 1 +ATOM 124 N NE2 . GLN A 1 26 ? 39.829 15.838 1.361 1.00 59.13 ? 44 GLN A NE2 1 +ATOM 125 N N . ILE A 1 27 ? 38.720 14.057 -4.925 1.00 53.74 ? 45 ILE A N 1 +ATOM 126 C CA . ILE A 1 27 ? 38.695 14.727 -6.221 1.00 53.90 ? 45 ILE A CA 1 +ATOM 127 C C . ILE A 1 27 ? 37.801 14.041 -7.254 1.00 53.76 ? 45 ILE A C 1 +ATOM 128 O O . ILE A 1 27 ? 37.694 12.814 -7.289 1.00 54.69 ? 45 ILE A O 1 +ATOM 129 C CB . ILE A 1 27 ? 40.132 14.870 -6.818 1.00 54.37 ? 45 ILE A CB 1 +ATOM 130 C CG1 . ILE A 1 27 ? 40.771 13.499 -7.037 1.00 55.57 ? 45 ILE A CG1 1 +ATOM 131 C CG2 . ILE A 1 27 ? 41.013 15.685 -5.886 1.00 53.25 ? 45 ILE A CG2 1 +ATOM 132 C CD1 . ILE A 1 27 ? 40.905 13.122 -8.490 1.00 56.31 ? 45 ILE A CD1 1 +ATOM 133 N N . ASP A 1 28 ? 37.151 14.849 -8.085 1.00 51.99 ? 46 ASP A N 1 +ATOM 134 C CA . ASP A 1 28 ? 36.293 14.331 -9.141 1.00 51.90 ? 46 ASP A CA 1 +ATOM 135 C C . ASP A 1 28 ? 37.179 14.079 -10.364 1.00 50.49 ? 46 ASP A C 1 +ATOM 136 O O . ASP A 1 28 ? 37.687 15.024 -10.971 1.00 48.31 ? 46 ASP A O 1 +ATOM 137 C CB . ASP A 1 28 ? 35.200 15.350 -9.486 1.00 52.54 ? 46 ASP A CB 1 +ATOM 138 C CG . ASP A 1 28 ? 34.251 14.855 -10.573 1.00 54.37 ? 46 ASP A CG 1 +ATOM 139 O OD1 . ASP A 1 28 ? 33.358 15.630 -10.984 1.00 56.58 ? 46 ASP A OD1 1 +ATOM 140 O OD2 . ASP A 1 28 ? 34.388 13.697 -11.018 1.00 54.51 ? 46 ASP A OD2 1 +ATOM 141 N N . VAL A 1 29 ? 37.367 12.807 -10.719 1.00 49.76 ? 47 VAL A N 1 +ATOM 142 C CA . VAL A 1 29 ? 38.199 12.452 -11.874 1.00 50.07 ? 47 VAL A CA 1 +ATOM 143 C C . VAL A 1 29 ? 37.642 12.945 -13.211 1.00 49.36 ? 47 VAL A C 1 +ATOM 144 O O . VAL A 1 29 ? 38.363 12.979 -14.208 1.00 49.59 ? 47 VAL A O 1 +ATOM 145 C CB . VAL A 1 29 ? 38.438 10.917 -11.977 1.00 50.66 ? 47 VAL A CB 1 +ATOM 146 C CG1 . VAL A 1 29 ? 39.386 10.463 -10.872 1.00 52.67 ? 47 VAL A CG1 1 +ATOM 147 C CG2 . VAL A 1 29 ? 37.114 10.163 -11.896 1.00 50.91 ? 47 VAL A CG2 1 +ATOM 148 N N . LYS A 1 30 ? 36.370 13.336 -13.222 1.00 48.82 ? 48 LYS A N 1 +ATOM 149 C CA . LYS A 1 30 ? 35.719 13.826 -14.432 1.00 50.77 ? 48 LYS A CA 1 +ATOM 150 C C . LYS A 1 30 ? 35.925 15.328 -14.640 1.00 50.93 ? 48 LYS A C 1 +ATOM 151 O O . LYS A 1 30 ? 35.756 15.834 -15.755 1.00 51.98 ? 48 LYS A O 1 +ATOM 152 C CB . LYS A 1 30 ? 34.211 13.536 -14.389 1.00 52.39 ? 48 LYS A CB 1 +ATOM 153 C CG . LYS A 1 30 ? 33.834 12.061 -14.222 1.00 55.28 ? 48 LYS A CG 1 +ATOM 154 C CD . LYS A 1 30 ? 32.340 11.822 -14.496 1.00 59.36 ? 48 LYS A CD 1 +ATOM 155 C CE . LYS A 1 30 ? 31.421 12.495 -13.470 1.00 61.23 ? 48 LYS A CE 1 +ATOM 156 N NZ . LYS A 1 30 ? 31.535 11.875 -12.115 1.00 65.54 ? 48 LYS A NZ 1 +ATOM 157 N N . ASP A 1 31 ? 36.271 16.034 -13.565 1.00 49.28 ? 49 ASP A N 1 +ATOM 158 C CA . ASP A 1 31 ? 36.486 17.477 -13.610 1.00 46.82 ? 49 ASP A CA 1 +ATOM 159 C C . ASP A 1 31 ? 37.462 17.838 -12.492 1.00 44.45 ? 49 ASP A C 1 +ATOM 160 O O . ASP A 1 31 ? 37.098 18.495 -11.511 1.00 41.93 ? 49 ASP A O 1 +ATOM 161 C CB . ASP A 1 31 ? 35.149 18.205 -13.410 1.00 48.50 ? 49 ASP A CB 1 +ATOM 162 C CG . ASP A 1 31 ? 35.198 19.663 -13.852 1.00 49.76 ? 49 ASP A CG 1 +ATOM 163 O OD1 . ASP A 1 31 ? 36.298 20.167 -14.168 1.00 48.61 ? 49 ASP A OD1 1 +ATOM 164 O OD2 . ASP A 1 31 ? 34.126 20.306 -13.877 1.00 52.76 ? 49 ASP A OD2 1 +ATOM 165 N N . ILE A 1 32 ? 38.706 17.398 -12.657 1.00 42.25 ? 50 ILE A N 1 +ATOM 166 C CA . ILE A 1 32 ? 39.749 17.618 -11.670 1.00 41.14 ? 50 ILE A CA 1 +ATOM 167 C C . ILE A 1 32 ? 40.026 19.095 -11.411 1.00 40.37 ? 50 ILE A C 1 +ATOM 168 O O . ILE A 1 32 ? 40.328 19.474 -10.284 1.00 38.76 ? 50 ILE A O 1 +ATOM 169 C CB . ILE A 1 32 ? 41.048 16.872 -12.077 1.00 43.58 ? 50 ILE A CB 1 +ATOM 170 C CG1 . ILE A 1 32 ? 40.741 15.370 -12.219 1.00 44.99 ? 50 ILE A CG1 1 +ATOM 171 C CG2 . ILE A 1 32 ? 42.128 17.065 -11.020 1.00 44.24 ? 50 ILE A CG2 1 +ATOM 172 C CD1 . ILE A 1 32 ? 41.919 14.501 -12.616 1.00 49.53 ? 50 ILE A CD1 1 +ATOM 173 N N . CYS A 1 33 ? 39.900 19.924 -12.444 1.00 38.98 ? 51 CYS A N 1 +ATOM 174 C CA . CYS A 1 33 ? 40.127 21.353 -12.301 1.00 40.18 ? 51 CYS A CA 1 +ATOM 175 C C . CYS A 1 33 ? 39.135 21.976 -11.346 1.00 37.70 ? 51 CYS A C 1 +ATOM 176 O O . CYS A 1 33 ? 39.473 22.903 -10.632 1.00 37.34 ? 51 CYS A O 1 +ATOM 177 C CB . CYS A 1 33 ? 40.053 22.054 -13.657 1.00 42.05 ? 51 CYS A CB 1 +ATOM 178 S SG . CYS A 1 33 ? 41.656 22.106 -14.432 1.00 48.07 ? 51 CYS A SG 1 +ATOM 179 N N . LYS A 1 34 ? 37.910 21.465 -11.349 1.00 38.37 ? 52 LYS A N 1 +ATOM 180 C CA . LYS A 1 34 ? 36.879 21.954 -10.447 1.00 39.31 ? 52 LYS A CA 1 +ATOM 181 C C . LYS A 1 34 ? 37.312 21.628 -9.010 1.00 37.16 ? 52 LYS A C 1 +ATOM 182 O O . LYS A 1 34 ? 37.166 22.451 -8.110 1.00 37.80 ? 52 LYS A O 1 +ATOM 183 C CB . LYS A 1 34 ? 35.547 21.272 -10.759 1.00 40.52 ? 52 LYS A CB 1 +ATOM 184 C CG . LYS A 1 34 ? 34.380 21.716 -9.887 1.00 42.44 ? 52 LYS A CG 1 +ATOM 185 C CD . LYS A 1 34 ? 33.223 20.716 -9.962 1.00 47.32 ? 52 LYS A CD 1 +ATOM 186 C CE . LYS A 1 34 ? 33.587 19.360 -9.321 1.00 48.49 ? 52 LYS A CE 1 +ATOM 187 N NZ . LYS A 1 34 ? 32.593 18.285 -9.636 1.00 47.47 ? 52 LYS A NZ 1 +ATOM 188 N N . SER A 1 35 ? 37.851 20.430 -8.804 1.00 35.42 ? 53 SER A N 1 +ATOM 189 C CA . SER A 1 35 ? 38.300 20.024 -7.474 1.00 36.06 ? 53 SER A CA 1 +ATOM 190 C C . SER A 1 35 ? 39.485 20.870 -7.039 1.00 35.54 ? 53 SER A C 1 +ATOM 191 O O . SER A 1 35 ? 39.553 21.294 -5.884 1.00 35.07 ? 53 SER A O 1 +ATOM 192 C CB . SER A 1 35 ? 38.684 18.543 -7.457 1.00 34.46 ? 53 SER A CB 1 +ATOM 193 O OG . SER A 1 35 ? 37.569 17.742 -7.784 1.00 37.73 ? 53 SER A OG 1 +ATOM 194 N N . PHE A 1 36 ? 40.407 21.123 -7.972 1.00 34.66 ? 54 PHE A N 1 +ATOM 195 C CA . PHE A 1 36 ? 41.583 21.934 -7.679 1.00 33.75 ? 54 PHE A CA 1 +ATOM 196 C C . PHE A 1 36 ? 41.212 23.373 -7.348 1.00 33.40 ? 54 PHE A C 1 +ATOM 197 O O . PHE A 1 36 ? 41.799 23.973 -6.444 1.00 33.27 ? 54 PHE A O 1 +ATOM 198 C CB . PHE A 1 36 ? 42.573 21.901 -8.844 1.00 33.40 ? 54 PHE A CB 1 +ATOM 199 C CG . PHE A 1 36 ? 43.332 20.604 -8.982 1.00 34.34 ? 54 PHE A CG 1 +ATOM 200 C CD1 . PHE A 1 36 ? 43.380 19.663 -7.933 1.00 35.70 ? 54 PHE A CD1 1 +ATOM 201 C CD2 . PHE A 1 36 ? 44.066 20.349 -10.144 1.00 34.08 ? 54 PHE A CD2 1 +ATOM 202 C CE1 . PHE A 1 36 ? 44.156 18.488 -8.042 1.00 35.87 ? 54 PHE A CE1 1 +ATOM 203 C CE2 . PHE A 1 36 ? 44.848 19.184 -10.269 1.00 36.38 ? 54 PHE A CE2 1 +ATOM 204 C CZ . PHE A 1 36 ? 44.895 18.249 -9.212 1.00 36.32 ? 54 PHE A CZ 1 +ATOM 205 N N . THR A 1 37 ? 40.238 23.917 -8.076 1.00 32.59 ? 55 THR A N 1 +ATOM 206 C CA . THR A 1 37 ? 39.758 25.276 -7.853 1.00 33.83 ? 55 THR A CA 1 +ATOM 207 C C . THR A 1 37 ? 39.121 25.369 -6.469 1.00 33.12 ? 55 THR A C 1 +ATOM 208 O O . THR A 1 37 ? 39.280 26.371 -5.770 1.00 33.70 ? 55 THR A O 1 +ATOM 209 C CB . THR A 1 37 ? 38.727 25.692 -8.941 1.00 34.81 ? 55 THR A CB 1 +ATOM 210 O OG1 . THR A 1 37 ? 39.392 25.766 -10.204 1.00 35.84 ? 55 THR A OG1 1 +ATOM 211 C CG2 . THR A 1 37 ? 38.099 27.059 -8.629 1.00 32.78 ? 55 THR A CG2 1 +ATOM 212 N N . ASN A 1 38 ? 38.395 24.328 -6.072 1.00 34.97 ? 56 ASN A N 1 +ATOM 213 C CA . ASN A 1 38 ? 37.782 24.333 -4.751 1.00 35.65 ? 56 ASN A CA 1 +ATOM 214 C C . ASN A 1 38 ? 38.853 24.273 -3.672 1.00 35.45 ? 56 ASN A C 1 +ATOM 215 O O . ASN A 1 38 ? 38.699 24.882 -2.618 1.00 37.30 ? 56 ASN A O 1 +ATOM 216 C CB . ASN A 1 38 ? 36.811 23.165 -4.590 1.00 36.14 ? 56 ASN A CB 1 +ATOM 217 C CG . ASN A 1 38 ? 35.548 23.354 -5.392 1.00 36.13 ? 56 ASN A CG 1 +ATOM 218 O OD1 . ASN A 1 38 ? 35.193 24.480 -5.762 1.00 38.41 ? 56 ASN A OD1 1 +ATOM 219 N ND2 . ASN A 1 38 ? 34.849 22.259 -5.655 1.00 35.33 ? 56 ASN A ND2 1 +ATOM 220 N N . PHE A 1 39 ? 39.937 23.545 -3.942 1.00 34.81 ? 57 PHE A N 1 +ATOM 221 C CA . PHE A 1 39 ? 41.042 23.421 -2.997 1.00 33.43 ? 57 PHE A CA 1 +ATOM 222 C C . PHE A 1 39 ? 41.791 24.745 -2.842 1.00 34.53 ? 57 PHE A C 1 +ATOM 223 O O . PHE A 1 39 ? 42.287 25.042 -1.757 1.00 35.27 ? 57 PHE A O 1 +ATOM 224 C CB . PHE A 1 39 ? 42.029 22.331 -3.449 1.00 33.30 ? 57 PHE A CB 1 +ATOM 225 C CG . PHE A 1 39 ? 41.559 20.908 -3.201 1.00 35.33 ? 57 PHE A CG 1 +ATOM 226 C CD1 . PHE A 1 39 ? 41.963 19.877 -4.063 1.00 37.87 ? 57 PHE A CD1 1 +ATOM 227 C CD2 . PHE A 1 39 ? 40.748 20.582 -2.101 1.00 37.60 ? 57 PHE A CD2 1 +ATOM 228 C CE1 . PHE A 1 39 ? 41.566 18.537 -3.843 1.00 36.72 ? 57 PHE A CE1 1 +ATOM 229 C CE2 . PHE A 1 39 ? 40.339 19.245 -1.863 1.00 38.31 ? 57 PHE A CE2 1 +ATOM 230 C CZ . PHE A 1 39 ? 40.751 18.218 -2.741 1.00 37.94 ? 57 PHE A CZ 1 +ATOM 231 N N . SER A 1 40 ? 41.875 25.537 -3.916 1.00 33.13 ? 58 SER A N 1 +ATOM 232 C CA . SER A 1 40 ? 42.568 26.822 -3.855 1.00 33.67 ? 58 SER A CA 1 +ATOM 233 C C . SER A 1 40 ? 41.823 27.794 -2.950 1.00 34.70 ? 58 SER A C 1 +ATOM 234 O O . SER A 1 40 ? 42.416 28.722 -2.409 1.00 36.25 ? 58 SER A O 1 +ATOM 235 C CB . SER A 1 40 ? 42.726 27.443 -5.253 1.00 33.46 ? 58 SER A CB 1 +ATOM 236 O OG . SER A 1 40 ? 41.485 27.926 -5.742 1.00 35.67 ? 58 SER A OG 1 +ATOM 237 N N . LYS A 1 41 ? 40.520 27.583 -2.792 1.00 35.95 ? 59 LYS A N 1 +ATOM 238 C CA . LYS A 1 41 ? 39.713 28.432 -1.924 1.00 39.36 ? 59 LYS A CA 1 +ATOM 239 C C . LYS A 1 41 ? 39.967 28.123 -0.442 1.00 38.81 ? 59 LYS A C 1 +ATOM 240 O O . LYS A 1 41 ? 39.611 28.915 0.436 1.00 38.49 ? 59 LYS A O 1 +ATOM 241 C CB . LYS A 1 41 ? 38.227 28.269 -2.256 1.00 41.23 ? 59 LYS A CB 1 +ATOM 242 C CG . LYS A 1 41 ? 37.838 28.907 -3.582 1.00 45.55 ? 59 LYS A CG 1 +ATOM 243 C CD . LYS A 1 41 ? 36.415 28.560 -3.977 1.00 48.34 ? 59 LYS A CD 1 +ATOM 244 C CE . LYS A 1 41 ? 36.052 29.202 -5.309 1.00 52.46 ? 59 LYS A CE 1 +ATOM 245 N NZ . LYS A 1 41 ? 34.696 28.777 -5.775 1.00 55.63 ? 59 LYS A NZ 1 +ATOM 246 N N . VAL A 1 42 ? 40.593 26.981 -0.171 1.00 37.40 ? 60 VAL A N 1 +ATOM 247 C CA . VAL A 1 42 ? 40.909 26.587 1.198 1.00 36.84 ? 60 VAL A CA 1 +ATOM 248 C C . VAL A 1 42 ? 42.400 26.735 1.514 1.00 37.90 ? 60 VAL A C 1 +ATOM 249 O O . VAL A 1 42 ? 42.773 27.300 2.547 1.00 40.41 ? 60 VAL A O 1 +ATOM 250 C CB . VAL A 1 42 ? 40.494 25.109 1.476 1.00 36.42 ? 60 VAL A CB 1 +ATOM 251 C CG1 . VAL A 1 42 ? 40.867 24.709 2.907 1.00 34.58 ? 60 VAL A CG1 1 +ATOM 252 C CG2 . VAL A 1 42 ? 39.000 24.933 1.255 1.00 33.57 ? 60 VAL A CG2 1 +ATOM 253 N N . TYR A 1 43 ? 43.248 26.257 0.609 1.00 37.88 ? 61 TYR A N 1 +ATOM 254 C CA . TYR A 1 43 ? 44.692 26.267 0.822 1.00 37.42 ? 61 TYR A CA 1 +ATOM 255 C C . TYR A 1 43 ? 45.519 27.347 0.152 1.00 38.60 ? 61 TYR A C 1 +ATOM 256 O O . TYR A 1 43 ? 46.710 27.462 0.430 1.00 41.10 ? 61 TYR A O 1 +ATOM 257 C CB . TYR A 1 43 ? 45.262 24.903 0.436 1.00 37.91 ? 61 TYR A CB 1 +ATOM 258 C CG . TYR A 1 43 ? 44.617 23.758 1.185 1.00 36.62 ? 61 TYR A CG 1 +ATOM 259 C CD1 . TYR A 1 43 ? 45.003 23.445 2.502 1.00 36.50 ? 61 TYR A CD1 1 +ATOM 260 C CD2 . TYR A 1 43 ? 43.578 23.019 0.602 1.00 33.69 ? 61 TYR A CD2 1 +ATOM 261 C CE1 . TYR A 1 43 ? 44.357 22.417 3.225 1.00 36.81 ? 61 TYR A CE1 1 +ATOM 262 C CE2 . TYR A 1 43 ? 42.925 21.993 1.316 1.00 36.85 ? 61 TYR A CE2 1 +ATOM 263 C CZ . TYR A 1 43 ? 43.319 21.701 2.624 1.00 36.04 ? 61 TYR A CZ 1 +ATOM 264 O OH . TYR A 1 43 ? 42.667 20.709 3.318 1.00 38.83 ? 61 TYR A OH 1 +ATOM 265 N N . GLY A 1 44 ? 44.912 28.135 -0.726 1.00 38.58 ? 62 GLY A N 1 +ATOM 266 C CA . GLY A 1 44 ? 45.674 29.171 -1.392 1.00 39.03 ? 62 GLY A CA 1 +ATOM 267 C C . GLY A 1 44 ? 46.081 28.856 -2.824 1.00 40.07 ? 62 GLY A C 1 +ATOM 268 O O . GLY A 1 44 ? 45.622 27.865 -3.402 1.00 40.73 ? 62 GLY A O 1 +ATOM 269 N N . PRO A 1 45 ? 46.967 29.676 -3.415 1.00 39.76 ? 63 PRO A N 1 +ATOM 270 C CA . PRO A 1 45 ? 47.461 29.534 -4.790 1.00 38.67 ? 63 PRO A CA 1 +ATOM 271 C C . PRO A 1 45 ? 48.361 28.343 -5.100 1.00 38.10 ? 63 PRO A C 1 +ATOM 272 O O . PRO A 1 45 ? 48.459 27.935 -6.256 1.00 37.29 ? 63 PRO A O 1 +ATOM 273 C CB . PRO A 1 45 ? 48.208 30.853 -5.033 1.00 39.63 ? 63 PRO A CB 1 +ATOM 274 C CG . PRO A 1 45 ? 47.736 31.780 -3.929 1.00 40.56 ? 63 PRO A CG 1 +ATOM 275 C CD . PRO A 1 45 ? 47.584 30.852 -2.772 1.00 40.04 ? 63 PRO A CD 1 +ATOM 276 N N . VAL A 1 46 ? 49.036 27.814 -4.083 1.00 37.15 ? 64 VAL A N 1 +ATOM 277 C CA . VAL A 1 46 ? 49.955 26.693 -4.256 1.00 38.31 ? 64 VAL A CA 1 +ATOM 278 C C . VAL A 1 46 ? 49.671 25.629 -3.203 1.00 37.97 ? 64 VAL A C 1 +ATOM 279 O O . VAL A 1 46 ? 49.770 25.894 -2.003 1.00 37.43 ? 64 VAL A O 1 +ATOM 280 C CB . VAL A 1 46 ? 51.435 27.153 -4.111 1.00 39.56 ? 64 VAL A CB 1 +ATOM 281 C CG1 . VAL A 1 46 ? 52.378 26.002 -4.415 1.00 41.39 ? 64 VAL A CG1 1 +ATOM 282 C CG2 . VAL A 1 46 ? 51.722 28.304 -5.052 1.00 43.45 ? 64 VAL A CG2 1 +ATOM 283 N N . PHE A 1 47 ? 49.325 24.426 -3.651 1.00 36.12 ? 65 PHE A N 1 +ATOM 284 C CA . PHE A 1 47 ? 49.011 23.349 -2.726 1.00 35.32 ? 65 PHE A CA 1 +ATOM 285 C C . PHE A 1 47 ? 49.408 21.981 -3.247 1.00 35.87 ? 65 PHE A C 1 +ATOM 286 O O . PHE A 1 47 ? 49.620 21.804 -4.445 1.00 36.56 ? 65 PHE A O 1 +ATOM 287 C CB . PHE A 1 47 ? 47.516 23.387 -2.364 1.00 33.44 ? 65 PHE A CB 1 +ATOM 288 C CG . PHE A 1 47 ? 46.582 23.286 -3.546 1.00 36.80 ? 65 PHE A CG 1 +ATOM 289 C CD1 . PHE A 1 47 ? 46.196 22.032 -4.053 1.00 35.02 ? 65 PHE A CD1 1 +ATOM 290 C CD2 . PHE A 1 47 ? 46.067 24.449 -4.147 1.00 35.77 ? 65 PHE A CD2 1 +ATOM 291 C CE1 . PHE A 1 47 ? 45.306 21.934 -5.143 1.00 35.26 ? 65 PHE A CE1 1 +ATOM 292 C CE2 . PHE A 1 47 ? 45.179 24.368 -5.236 1.00 36.19 ? 65 PHE A CE2 1 +ATOM 293 C CZ . PHE A 1 47 ? 44.796 23.105 -5.736 1.00 35.63 ? 65 PHE A CZ 1 +ATOM 294 N N . THR A 1 48 ? 49.513 21.019 -2.333 1.00 35.33 ? 66 THR A N 1 +ATOM 295 C CA . THR A 1 48 ? 49.899 19.656 -2.669 1.00 34.97 ? 66 THR A CA 1 +ATOM 296 C C . THR A 1 48 ? 48.714 18.700 -2.509 1.00 34.75 ? 66 THR A C 1 +ATOM 297 O O . THR A 1 48 ? 47.967 18.787 -1.533 1.00 35.78 ? 66 THR A O 1 +ATOM 298 C CB . THR A 1 48 ? 51.062 19.175 -1.745 1.00 36.68 ? 66 THR A CB 1 +ATOM 299 O OG1 . THR A 1 48 ? 52.198 20.028 -1.929 1.00 39.48 ? 66 THR A OG1 1 +ATOM 300 C CG2 . THR A 1 48 ? 51.483 17.739 -2.064 1.00 35.58 ? 66 THR A CG2 1 +ATOM 301 N N . VAL A 1 49 ? 48.538 17.821 -3.491 1.00 32.03 ? 67 VAL A N 1 +ATOM 302 C CA . VAL A 1 49 ? 47.502 16.789 -3.466 1.00 33.70 ? 67 VAL A CA 1 +ATOM 303 C C . VAL A 1 49 ? 48.223 15.491 -3.820 1.00 33.67 ? 67 VAL A C 1 +ATOM 304 O O . VAL A 1 49 ? 49.244 15.513 -4.510 1.00 34.56 ? 67 VAL A O 1 +ATOM 305 C CB . VAL A 1 49 ? 46.352 17.022 -4.502 1.00 35.13 ? 67 VAL A CB 1 +ATOM 306 C CG1 . VAL A 1 49 ? 45.563 18.252 -4.131 1.00 33.67 ? 67 VAL A CG1 1 +ATOM 307 C CG2 . VAL A 1 49 ? 46.913 17.155 -5.925 1.00 35.60 ? 67 VAL A CG2 1 +ATOM 308 N N . TYR A 1 50 ? 47.702 14.369 -3.340 1.00 33.30 ? 68 TYR A N 1 +ATOM 309 C CA . TYR A 1 50 ? 48.309 13.073 -3.609 1.00 33.65 ? 68 TYR A CA 1 +ATOM 310 C C . TYR A 1 50 ? 47.385 12.199 -4.434 1.00 34.47 ? 68 TYR A C 1 +ATOM 311 O O . TYR A 1 50 ? 46.215 12.039 -4.104 1.00 34.86 ? 68 TYR A O 1 +ATOM 312 C CB . TYR A 1 50 ? 48.656 12.337 -2.293 1.00 32.65 ? 68 TYR A CB 1 +ATOM 313 C CG . TYR A 1 50 ? 49.854 12.887 -1.543 1.00 30.99 ? 68 TYR A CG 1 +ATOM 314 C CD1 . TYR A 1 50 ? 49.732 14.002 -0.696 1.00 32.70 ? 68 TYR A CD1 1 +ATOM 315 C CD2 . TYR A 1 50 ? 51.131 12.316 -1.704 1.00 32.48 ? 68 TYR A CD2 1 +ATOM 316 C CE1 . TYR A 1 50 ? 50.855 14.545 -0.022 1.00 31.55 ? 68 TYR A CE1 1 +ATOM 317 C CE2 . TYR A 1 50 ? 52.272 12.855 -1.033 1.00 31.63 ? 68 TYR A CE2 1 +ATOM 318 C CZ . TYR A 1 50 ? 52.115 13.970 -0.196 1.00 33.38 ? 68 TYR A CZ 1 +ATOM 319 O OH . TYR A 1 50 ? 53.204 14.511 0.468 1.00 37.41 ? 68 TYR A OH 1 +ATOM 320 N N . PHE A 1 51 ? 47.912 11.656 -5.525 1.00 35.71 ? 69 PHE A N 1 +ATOM 321 C CA . PHE A 1 51 ? 47.152 10.748 -6.380 1.00 35.98 ? 69 PHE A CA 1 +ATOM 322 C C . PHE A 1 51 ? 47.847 9.436 -6.065 1.00 35.99 ? 69 PHE A C 1 +ATOM 323 O O . PHE A 1 51 ? 48.918 9.141 -6.598 1.00 34.93 ? 69 PHE A O 1 +ATOM 324 C CB . PHE A 1 51 ? 47.310 11.126 -7.860 1.00 38.26 ? 69 PHE A CB 1 +ATOM 325 C CG . PHE A 1 51 ? 46.408 12.251 -8.308 1.00 41.88 ? 69 PHE A CG 1 +ATOM 326 C CD1 . PHE A 1 51 ? 45.581 12.086 -9.426 1.00 43.96 ? 69 PHE A CD1 1 +ATOM 327 C CD2 . PHE A 1 51 ? 46.388 13.486 -7.631 1.00 43.70 ? 69 PHE A CD2 1 +ATOM 328 C CE1 . PHE A 1 51 ? 44.737 13.137 -9.874 1.00 45.41 ? 69 PHE A CE1 1 +ATOM 329 C CE2 . PHE A 1 51 ? 45.551 14.544 -8.066 1.00 44.48 ? 69 PHE A CE2 1 +ATOM 330 C CZ . PHE A 1 51 ? 44.725 14.367 -9.190 1.00 44.11 ? 69 PHE A CZ 1 +ATOM 331 N N . GLY A 1 52 ? 47.246 8.663 -5.165 1.00 37.66 ? 70 GLY A N 1 +ATOM 332 C CA . GLY A 1 52 ? 47.872 7.427 -4.733 1.00 36.66 ? 70 GLY A CA 1 +ATOM 333 C C . GLY A 1 52 ? 49.024 7.905 -3.872 1.00 36.90 ? 70 GLY A C 1 +ATOM 334 O O . GLY A 1 52 ? 48.838 8.795 -3.040 1.00 37.58 ? 70 GLY A O 1 +ATOM 335 N N . MET A 1 53 ? 50.216 7.363 -4.092 1.00 38.15 ? 71 MET A N 1 +ATOM 336 C CA . MET A 1 53 ? 51.399 7.768 -3.330 1.00 40.91 ? 71 MET A CA 1 +ATOM 337 C C . MET A 1 53 ? 52.138 8.954 -3.974 1.00 41.33 ? 71 MET A C 1 +ATOM 338 O O . MET A 1 53 ? 53.097 9.481 -3.407 1.00 40.36 ? 71 MET A O 1 +ATOM 339 C CB . MET A 1 53 ? 52.378 6.597 -3.217 1.00 44.80 ? 71 MET A CB 1 +ATOM 340 C CG . MET A 1 53 ? 51.834 5.358 -2.507 1.00 51.60 ? 71 MET A CG 1 +ATOM 341 S SD . MET A 1 53 ? 51.235 5.696 -0.843 1.00 56.69 ? 71 MET A SD 1 +ATOM 342 C CE . MET A 1 53 ? 52.797 6.115 0.003 1.00 56.98 ? 71 MET A CE 1 +ATOM 343 N N . ASN A 1 54 ? 51.677 9.380 -5.147 1.00 39.25 ? 72 ASN A N 1 +ATOM 344 C CA . ASN A 1 54 ? 52.339 10.456 -5.877 1.00 39.14 ? 72 ASN A CA 1 +ATOM 345 C C . ASN A 1 54 ? 51.941 11.881 -5.530 1.00 36.11 ? 72 ASN A C 1 +ATOM 346 O O . ASN A 1 54 ? 50.793 12.274 -5.714 1.00 38.84 ? 72 ASN A O 1 +ATOM 347 C CB . ASN A 1 54 ? 52.155 10.232 -7.376 1.00 38.36 ? 72 ASN A CB 1 +ATOM 348 C CG . ASN A 1 54 ? 52.648 8.874 -7.817 1.00 41.33 ? 72 ASN A CG 1 +ATOM 349 O OD1 . ASN A 1 54 ? 53.795 8.501 -7.550 1.00 43.03 ? 72 ASN A OD1 1 +ATOM 350 N ND2 . ASN A 1 54 ? 51.786 8.122 -8.495 1.00 41.44 ? 72 ASN A ND2 1 +ATOM 351 N N . PRO A 1 55 ? 52.890 12.676 -5.013 1.00 34.00 ? 73 PRO A N 1 +ATOM 352 C CA . PRO A 1 55 ? 52.544 14.059 -4.678 1.00 33.05 ? 73 PRO A CA 1 +ATOM 353 C C . PRO A 1 55 ? 52.499 14.909 -5.959 1.00 33.96 ? 73 PRO A C 1 +ATOM 354 O O . PRO A 1 55 ? 53.218 14.639 -6.912 1.00 32.90 ? 73 PRO A O 1 +ATOM 355 C CB . PRO A 1 55 ? 53.676 14.481 -3.753 1.00 33.48 ? 73 PRO A CB 1 +ATOM 356 C CG . PRO A 1 55 ? 54.853 13.730 -4.305 1.00 31.95 ? 73 PRO A CG 1 +ATOM 357 C CD . PRO A 1 55 ? 54.278 12.364 -4.613 1.00 32.54 ? 73 PRO A CD 1 +ATOM 358 N N . ILE A 1 56 ? 51.631 15.912 -5.976 1.00 33.86 ? 74 ILE A N 1 +ATOM 359 C CA . ILE A 1 56 ? 51.498 16.816 -7.109 1.00 33.63 ? 74 ILE A CA 1 +ATOM 360 C C . ILE A 1 56 ? 51.293 18.201 -6.522 1.00 32.30 ? 74 ILE A C 1 +ATOM 361 O O . ILE A 1 56 ? 50.361 18.411 -5.745 1.00 32.00 ? 74 ILE A O 1 +ATOM 362 C CB . ILE A 1 56 ? 50.258 16.477 -7.992 1.00 34.04 ? 74 ILE A CB 1 +ATOM 363 C CG1 . ILE A 1 56 ? 50.396 15.064 -8.570 1.00 34.79 ? 74 ILE A CG1 1 +ATOM 364 C CG2 . ILE A 1 56 ? 50.114 17.522 -9.127 1.00 33.84 ? 74 ILE A CG2 1 +ATOM 365 C CD1 . ILE A 1 56 ? 49.220 14.612 -9.410 1.00 38.51 ? 74 ILE A CD1 1 +ATOM 366 N N . VAL A 1 57 ? 52.167 19.140 -6.858 1.00 32.56 ? 75 VAL A N 1 +ATOM 367 C CA . VAL A 1 57 ? 51.975 20.489 -6.357 1.00 33.85 ? 75 VAL A CA 1 +ATOM 368 C C . VAL A 1 57 ? 51.262 21.242 -7.474 1.00 31.84 ? 75 VAL A C 1 +ATOM 369 O O . VAL A 1 57 ? 51.699 21.258 -8.624 1.00 29.07 ? 75 VAL A O 1 +ATOM 370 C CB . VAL A 1 57 ? 53.316 21.165 -5.911 1.00 35.18 ? 75 VAL A CB 1 +ATOM 371 C CG1 . VAL A 1 57 ? 54.340 21.054 -6.969 1.00 39.75 ? 75 VAL A CG1 1 +ATOM 372 C CG2 . VAL A 1 57 ? 53.087 22.624 -5.561 1.00 35.07 ? 75 VAL A CG2 1 +ATOM 373 N N . VAL A 1 58 ? 50.126 21.820 -7.107 1.00 31.97 ? 76 VAL A N 1 +ATOM 374 C CA . VAL A 1 58 ? 49.263 22.556 -8.010 1.00 30.83 ? 76 VAL A CA 1 +ATOM 375 C C . VAL A 1 58 ? 49.429 24.066 -7.858 1.00 32.46 ? 76 VAL A C 1 +ATOM 376 O O . VAL A 1 58 ? 49.472 24.602 -6.746 1.00 31.25 ? 76 VAL A O 1 +ATOM 377 C CB . VAL A 1 58 ? 47.772 22.178 -7.758 1.00 31.43 ? 76 VAL A CB 1 +ATOM 378 C CG1 . VAL A 1 58 ? 46.870 22.813 -8.802 1.00 31.90 ? 76 VAL A CG1 1 +ATOM 379 C CG2 . VAL A 1 58 ? 47.600 20.651 -7.786 1.00 29.96 ? 76 VAL A CG2 1 +ATOM 380 N N . PHE A 1 59 ? 49.511 24.738 -9.001 1.00 31.28 ? 77 PHE A N 1 +ATOM 381 C CA . PHE A 1 59 ? 49.645 26.182 -9.054 1.00 31.45 ? 77 PHE A CA 1 +ATOM 382 C C . PHE A 1 59 ? 48.371 26.738 -9.678 1.00 31.53 ? 77 PHE A C 1 +ATOM 383 O O . PHE A 1 59 ? 48.045 26.453 -10.832 1.00 32.37 ? 77 PHE A O 1 +ATOM 384 C CB . PHE A 1 59 ? 50.881 26.553 -9.875 1.00 32.24 ? 77 PHE A CB 1 +ATOM 385 C CG . PHE A 1 59 ? 52.169 26.115 -9.240 1.00 33.22 ? 77 PHE A CG 1 +ATOM 386 C CD1 . PHE A 1 59 ? 52.923 27.010 -8.470 1.00 34.29 ? 77 PHE A CD1 1 +ATOM 387 C CD2 . PHE A 1 59 ? 52.606 24.781 -9.354 1.00 34.12 ? 77 PHE A CD2 1 +ATOM 388 C CE1 . PHE A 1 59 ? 54.100 26.585 -7.815 1.00 34.26 ? 77 PHE A CE1 1 +ATOM 389 C CE2 . PHE A 1 59 ? 53.776 24.342 -8.705 1.00 33.86 ? 77 PHE A CE2 1 +ATOM 390 C CZ . PHE A 1 59 ? 54.526 25.246 -7.934 1.00 36.00 ? 77 PHE A CZ 1 +ATOM 391 N N . HIS A 1 60 ? 47.656 27.524 -8.886 1.00 29.84 ? 78 HIS A N 1 +ATOM 392 C CA . HIS A 1 60 ? 46.401 28.135 -9.286 1.00 30.74 ? 78 HIS A CA 1 +ATOM 393 C C . HIS A 1 60 ? 46.515 29.664 -9.300 1.00 31.48 ? 78 HIS A C 1 +ATOM 394 O O . HIS A 1 60 ? 46.957 30.270 -8.322 1.00 32.10 ? 78 HIS A O 1 +ATOM 395 C CB . HIS A 1 60 ? 45.308 27.689 -8.309 1.00 25.44 ? 78 HIS A CB 1 +ATOM 396 C CG . HIS A 1 60 ? 43.949 28.217 -8.627 1.00 28.61 ? 78 HIS A CG 1 +ATOM 397 N ND1 . HIS A 1 60 ? 43.541 29.485 -8.276 1.00 31.05 ? 78 HIS A ND1 1 +ATOM 398 C CD2 . HIS A 1 60 ? 42.896 27.644 -9.256 1.00 29.91 ? 78 HIS A CD2 1 +ATOM 399 C CE1 . HIS A 1 60 ? 42.296 29.670 -8.673 1.00 28.41 ? 78 HIS A CE1 1 +ATOM 400 N NE2 . HIS A 1 60 ? 41.882 28.569 -9.271 1.00 31.67 ? 78 HIS A NE2 1 +ATOM 401 N N . GLY A 1 61 ? 46.110 30.280 -10.409 1.00 32.05 ? 79 GLY A N 1 +ATOM 402 C CA . GLY A 1 61 ? 46.168 31.728 -10.509 1.00 30.84 ? 79 GLY A CA 1 +ATOM 403 C C . GLY A 1 61 ? 47.387 32.206 -11.263 1.00 31.02 ? 79 GLY A C 1 +ATOM 404 O O . GLY A 1 61 ? 48.441 31.566 -11.226 1.00 29.84 ? 79 GLY A O 1 +ATOM 405 N N . TYR A 1 62 ? 47.238 33.344 -11.942 1.00 31.73 ? 80 TYR A N 1 +ATOM 406 C CA . TYR A 1 62 ? 48.301 33.944 -12.744 1.00 30.82 ? 80 TYR A CA 1 +ATOM 407 C C . TYR A 1 62 ? 49.621 34.136 -12.015 1.00 31.79 ? 80 TYR A C 1 +ATOM 408 O O . TYR A 1 62 ? 50.663 33.729 -12.526 1.00 32.26 ? 80 TYR A O 1 +ATOM 409 C CB . TYR A 1 62 ? 47.834 35.300 -13.316 1.00 30.44 ? 80 TYR A CB 1 +ATOM 410 C CG . TYR A 1 62 ? 48.898 36.055 -14.095 1.00 29.32 ? 80 TYR A CG 1 +ATOM 411 C CD1 . TYR A 1 62 ? 49.289 35.636 -15.374 1.00 30.52 ? 80 TYR A CD1 1 +ATOM 412 C CD2 . TYR A 1 62 ? 49.559 37.162 -13.529 1.00 32.40 ? 80 TYR A CD2 1 +ATOM 413 C CE1 . TYR A 1 62 ? 50.320 36.294 -16.081 1.00 31.52 ? 80 TYR A CE1 1 +ATOM 414 C CE2 . TYR A 1 62 ? 50.601 37.835 -14.230 1.00 31.63 ? 80 TYR A CE2 1 +ATOM 415 C CZ . TYR A 1 62 ? 50.970 37.389 -15.497 1.00 33.30 ? 80 TYR A CZ 1 +ATOM 416 O OH . TYR A 1 62 ? 52.003 38.001 -16.170 1.00 37.79 ? 80 TYR A OH 1 +ATOM 417 N N . GLU A 1 63 ? 49.588 34.768 -10.841 1.00 34.64 ? 81 GLU A N 1 +ATOM 418 C CA . GLU A 1 63 ? 50.819 35.013 -10.082 1.00 36.89 ? 81 GLU A CA 1 +ATOM 419 C C . GLU A 1 63 ? 51.610 33.731 -9.807 1.00 36.04 ? 81 GLU A C 1 +ATOM 420 O O . GLU A 1 63 ? 52.826 33.698 -10.003 1.00 36.42 ? 81 GLU A O 1 +ATOM 421 C CB . GLU A 1 63 ? 50.520 35.716 -8.747 1.00 39.61 ? 81 GLU A CB 1 +ATOM 422 C CG . GLU A 1 63 ? 49.885 37.117 -8.850 1.00 48.33 ? 81 GLU A CG 1 +ATOM 423 C CD . GLU A 1 63 ? 50.701 38.131 -9.668 1.00 52.04 ? 81 GLU A CD 1 +ATOM 424 O OE1 . GLU A 1 63 ? 51.953 38.032 -9.721 1.00 53.53 ? 81 GLU A OE1 1 +ATOM 425 O OE2 . GLU A 1 63 ? 50.078 39.049 -10.246 1.00 54.49 ? 81 GLU A OE2 1 +ATOM 426 N N . ALA A 1 64 ? 50.922 32.681 -9.362 1.00 35.23 ? 82 ALA A N 1 +ATOM 427 C CA . ALA A 1 64 ? 51.586 31.407 -9.070 1.00 35.06 ? 82 ALA A CA 1 +ATOM 428 C C . ALA A 1 64 ? 52.072 30.713 -10.347 1.00 33.67 ? 82 ALA A C 1 +ATOM 429 O O . ALA A 1 64 ? 53.188 30.204 -10.398 1.00 35.52 ? 82 ALA A O 1 +ATOM 430 C CB . ALA A 1 64 ? 50.641 30.486 -8.295 1.00 34.32 ? 82 ALA A CB 1 +ATOM 431 N N . VAL A 1 65 ? 51.239 30.701 -11.382 1.00 33.29 ? 83 VAL A N 1 +ATOM 432 C CA . VAL A 1 65 ? 51.609 30.064 -12.644 1.00 32.30 ? 83 VAL A CA 1 +ATOM 433 C C . VAL A 1 65 ? 52.800 30.763 -13.306 1.00 34.68 ? 83 VAL A C 1 +ATOM 434 O O . VAL A 1 65 ? 53.726 30.104 -13.794 1.00 35.86 ? 83 VAL A O 1 +ATOM 435 C CB . VAL A 1 65 ? 50.403 30.036 -13.615 1.00 31.84 ? 83 VAL A CB 1 +ATOM 436 C CG1 . VAL A 1 65 ? 50.824 29.494 -14.993 1.00 27.62 ? 83 VAL A CG1 1 +ATOM 437 C CG2 . VAL A 1 65 ? 49.303 29.163 -13.021 1.00 29.46 ? 83 VAL A CG2 1 +ATOM 438 N N . LYS A 1 66 ? 52.773 32.093 -13.318 1.00 37.41 ? 84 LYS A N 1 +ATOM 439 C CA . LYS A 1 66 ? 53.847 32.889 -13.912 1.00 38.14 ? 84 LYS A CA 1 +ATOM 440 C C . LYS A 1 66 ? 55.157 32.683 -13.155 1.00 36.64 ? 84 LYS A C 1 +ATOM 441 O O . LYS A 1 66 ? 56.188 32.410 -13.763 1.00 34.30 ? 84 LYS A O 1 +ATOM 442 C CB . LYS A 1 66 ? 53.484 34.383 -13.890 1.00 42.27 ? 84 LYS A CB 1 +ATOM 443 C CG . LYS A 1 66 ? 54.523 35.276 -14.563 1.00 46.36 ? 84 LYS A CG 1 +ATOM 444 C CD . LYS A 1 66 ? 54.455 36.704 -14.054 1.00 50.85 ? 84 LYS A CD 1 +ATOM 445 C CE . LYS A 1 66 ? 55.641 37.519 -14.566 1.00 53.31 ? 84 LYS A CE 1 +ATOM 446 N NZ . LYS A 1 66 ? 55.766 38.814 -13.831 1.00 57.70 ? 84 LYS A NZ 1 +ATOM 447 N N . GLU A 1 67 ? 55.111 32.805 -11.830 1.00 37.91 ? 85 GLU A N 1 +ATOM 448 C CA . GLU A 1 67 ? 56.317 32.638 -11.021 1.00 39.45 ? 85 GLU A CA 1 +ATOM 449 C C . GLU A 1 67 ? 56.963 31.273 -11.240 1.00 39.18 ? 85 GLU A C 1 +ATOM 450 O O . GLU A 1 67 ? 58.190 31.158 -11.259 1.00 40.81 ? 85 GLU A O 1 +ATOM 451 C CB . GLU A 1 67 ? 56.020 32.834 -9.529 1.00 39.70 ? 85 GLU A CB 1 +ATOM 452 C CG . GLU A 1 67 ? 57.299 32.861 -8.671 1.00 43.69 ? 85 GLU A CG 1 +ATOM 453 C CD . GLU A 1 67 ? 57.064 33.145 -7.190 1.00 43.11 ? 85 GLU A CD 1 +ATOM 454 O OE1 . GLU A 1 67 ? 58.057 33.164 -6.436 1.00 46.63 ? 85 GLU A OE1 1 +ATOM 455 O OE2 . GLU A 1 67 ? 55.909 33.353 -6.772 1.00 45.65 ? 85 GLU A OE2 1 +ATOM 456 N N . ALA A 1 68 ? 56.142 30.244 -11.427 1.00 38.23 ? 86 ALA A N 1 +ATOM 457 C CA . ALA A 1 68 ? 56.670 28.907 -11.641 1.00 37.71 ? 86 ALA A CA 1 +ATOM 458 C C . ALA A 1 68 ? 57.199 28.714 -13.059 1.00 37.54 ? 86 ALA A C 1 +ATOM 459 O O . ALA A 1 68 ? 58.407 28.592 -13.265 1.00 37.53 ? 86 ALA A O 1 +ATOM 460 C CB . ALA A 1 68 ? 55.600 27.861 -11.324 1.00 35.28 ? 86 ALA A CB 1 +ATOM 461 N N . LEU A 1 69 ? 56.296 28.714 -14.035 1.00 37.97 ? 87 LEU A N 1 +ATOM 462 C CA . LEU A 1 69 ? 56.662 28.491 -15.431 1.00 37.71 ? 87 LEU A CA 1 +ATOM 463 C C . LEU A 1 69 ? 57.598 29.514 -16.082 1.00 37.35 ? 87 LEU A C 1 +ATOM 464 O O . LEU A 1 69 ? 58.394 29.156 -16.945 1.00 36.38 ? 87 LEU A O 1 +ATOM 465 C CB . LEU A 1 69 ? 55.391 28.348 -16.282 1.00 36.57 ? 87 LEU A CB 1 +ATOM 466 C CG . LEU A 1 69 ? 54.443 27.180 -15.955 1.00 37.21 ? 87 LEU A CG 1 +ATOM 467 C CD1 . LEU A 1 69 ? 53.270 27.180 -16.930 1.00 36.61 ? 87 LEU A CD1 1 +ATOM 468 C CD2 . LEU A 1 69 ? 55.188 25.858 -16.042 1.00 35.60 ? 87 LEU A CD2 1 +ATOM 469 N N . ILE A 1 70 ? 57.529 30.772 -15.669 1.00 39.34 ? 88 ILE A N 1 +ATOM 470 C CA . ILE A 1 70 ? 58.377 31.791 -16.293 1.00 41.81 ? 88 ILE A CA 1 +ATOM 471 C C . ILE A 1 70 ? 59.568 32.250 -15.449 1.00 43.37 ? 88 ILE A C 1 +ATOM 472 O O . ILE A 1 70 ? 60.713 32.141 -15.892 1.00 44.06 ? 88 ILE A O 1 +ATOM 473 C CB . ILE A 1 70 ? 57.537 33.034 -16.718 1.00 41.77 ? 88 ILE A CB 1 +ATOM 474 C CG1 . ILE A 1 70 ? 56.345 32.592 -17.586 1.00 43.15 ? 88 ILE A CG1 1 +ATOM 475 C CG2 . ILE A 1 70 ? 58.415 34.010 -17.517 1.00 43.80 ? 88 ILE A CG2 1 +ATOM 476 C CD1 . ILE A 1 70 ? 55.324 33.688 -17.902 1.00 41.80 ? 88 ILE A CD1 1 +ATOM 477 N N . ASP A 1 71 ? 59.299 32.753 -14.244 1.00 45.53 ? 89 ASP A N 1 +ATOM 478 C CA . ASP A 1 71 ? 60.350 33.251 -13.353 1.00 47.91 ? 89 ASP A CA 1 +ATOM 479 C C . ASP A 1 71 ? 61.289 32.183 -12.798 1.00 49.62 ? 89 ASP A C 1 +ATOM 480 O O . ASP A 1 71 ? 62.370 32.504 -12.292 1.00 50.82 ? 89 ASP A O 1 +ATOM 481 C CB . ASP A 1 71 ? 59.729 34.041 -12.196 1.00 49.02 ? 89 ASP A CB 1 +ATOM 482 C CG . ASP A 1 71 ? 58.863 35.190 -12.676 1.00 49.83 ? 89 ASP A CG 1 +ATOM 483 O OD1 . ASP A 1 71 ? 59.201 35.798 -13.715 1.00 50.81 ? 89 ASP A OD1 1 +ATOM 484 O OD2 . ASP A 1 71 ? 57.852 35.495 -12.012 1.00 50.78 ? 89 ASP A OD2 1 +ATOM 485 N N . ASN A 1 72 ? 60.871 30.924 -12.880 1.00 49.52 ? 90 ASN A N 1 +ATOM 486 C CA . ASN A 1 72 ? 61.672 29.790 -12.418 1.00 48.13 ? 90 ASN A CA 1 +ATOM 487 C C . ASN A 1 72 ? 61.595 28.740 -13.519 1.00 47.85 ? 90 ASN A C 1 +ATOM 488 O O . ASN A 1 72 ? 61.603 27.533 -13.259 1.00 47.42 ? 90 ASN A O 1 +ATOM 489 C CB . ASN A 1 72 ? 61.105 29.239 -11.105 1.00 49.31 ? 90 ASN A CB 1 +ATOM 490 C CG . ASN A 1 72 ? 61.388 30.145 -9.916 1.00 50.46 ? 90 ASN A CG 1 +ATOM 491 O OD1 . ASN A 1 72 ? 62.524 30.245 -9.455 1.00 53.62 ? 90 ASN A OD1 1 +ATOM 492 N ND2 . ASN A 1 72 ? 60.356 30.811 -9.417 1.00 51.57 ? 90 ASN A ND2 1 +ATOM 493 N N . GLY A 1 73 ? 61.531 29.236 -14.754 1.00 46.84 ? 91 GLY A N 1 +ATOM 494 C CA . GLY A 1 73 ? 61.410 28.405 -15.936 1.00 45.87 ? 91 GLY A CA 1 +ATOM 495 C C . GLY A 1 73 ? 62.290 27.186 -16.094 1.00 46.75 ? 91 GLY A C 1 +ATOM 496 O O . GLY A 1 73 ? 61.806 26.128 -16.511 1.00 46.23 ? 91 GLY A O 1 +ATOM 497 N N . GLU A 1 74 ? 63.576 27.322 -15.783 1.00 47.50 ? 92 GLU A N 1 +ATOM 498 C CA . GLU A 1 74 ? 64.503 26.203 -15.916 1.00 47.29 ? 92 GLU A CA 1 +ATOM 499 C C . GLU A 1 74 ? 64.118 25.063 -14.982 1.00 46.10 ? 92 GLU A C 1 +ATOM 500 O O . GLU A 1 74 ? 64.018 23.914 -15.413 1.00 45.78 ? 92 GLU A O 1 +ATOM 501 C CB . GLU A 1 74 ? 65.940 26.657 -15.631 1.00 48.95 ? 92 GLU A CB 1 +ATOM 502 C CG . GLU A 1 74 ? 67.002 25.570 -15.834 1.00 51.64 ? 92 GLU A CG 1 +ATOM 503 C CD . GLU A 1 74 ? 66.975 24.948 -17.227 1.00 54.10 ? 92 GLU A CD 1 +ATOM 504 O OE1 . GLU A 1 74 ? 66.901 25.700 -18.222 1.00 56.44 ? 92 GLU A OE1 1 +ATOM 505 O OE2 . GLU A 1 74 ? 67.040 23.703 -17.332 1.00 56.46 ? 92 GLU A OE2 1 +ATOM 506 N N . GLU A 1 75 ? 63.886 25.388 -13.714 1.00 45.33 ? 93 GLU A N 1 +ATOM 507 C CA . GLU A 1 75 ? 63.512 24.386 -12.721 1.00 46.04 ? 93 GLU A CA 1 +ATOM 508 C C . GLU A 1 75 ? 62.174 23.726 -13.049 1.00 45.04 ? 93 GLU A C 1 +ATOM 509 O O . GLU A 1 75 ? 61.975 22.544 -12.776 1.00 42.84 ? 93 GLU A O 1 +ATOM 510 C CB . GLU A 1 75 ? 63.420 25.006 -11.322 1.00 47.84 ? 93 GLU A CB 1 +ATOM 511 C CG . GLU A 1 75 ? 64.719 25.569 -10.752 1.00 53.90 ? 93 GLU A CG 1 +ATOM 512 C CD . GLU A 1 75 ? 64.874 27.060 -11.003 1.00 56.92 ? 93 GLU A CD 1 +ATOM 513 O OE1 . GLU A 1 75 ? 65.144 27.453 -12.157 1.00 58.37 ? 93 GLU A OE1 1 +ATOM 514 O OE2 . GLU A 1 75 ? 64.713 27.845 -10.042 1.00 60.41 ? 93 GLU A OE2 1 +ATOM 515 N N . PHE A 1 76 ? 61.258 24.489 -13.640 1.00 43.53 ? 94 PHE A N 1 +ATOM 516 C CA . PHE A 1 76 ? 59.945 23.953 -13.967 1.00 41.58 ? 94 PHE A CA 1 +ATOM 517 C C . PHE A 1 76 ? 59.799 23.479 -15.400 1.00 40.57 ? 94 PHE A C 1 +ATOM 518 O O . PHE A 1 76 ? 58.677 23.313 -15.871 1.00 41.82 ? 94 PHE A O 1 +ATOM 519 C CB . PHE A 1 76 ? 58.855 24.986 -13.661 1.00 39.44 ? 94 PHE A CB 1 +ATOM 520 C CG . PHE A 1 76 ? 58.568 25.154 -12.199 1.00 40.32 ? 94 PHE A CG 1 +ATOM 521 C CD1 . PHE A 1 76 ? 59.322 26.045 -11.417 1.00 38.42 ? 94 PHE A CD1 1 +ATOM 522 C CD2 . PHE A 1 76 ? 57.548 24.410 -11.589 1.00 37.97 ? 94 PHE A CD2 1 +ATOM 523 C CE1 . PHE A 1 76 ? 59.065 26.196 -10.040 1.00 38.62 ? 94 PHE A CE1 1 +ATOM 524 C CE2 . PHE A 1 76 ? 57.274 24.546 -10.213 1.00 37.51 ? 94 PHE A CE2 1 +ATOM 525 C CZ . PHE A 1 76 ? 58.035 25.443 -9.432 1.00 38.10 ? 94 PHE A CZ 1 +ATOM 526 N N . SER A 1 77 ? 60.916 23.237 -16.084 1.00 38.58 ? 95 SER A N 1 +ATOM 527 C CA . SER A 1 77 ? 60.873 22.798 -17.480 1.00 37.54 ? 95 SER A CA 1 +ATOM 528 C C . SER A 1 77 ? 60.788 21.290 -17.690 1.00 35.93 ? 95 SER A C 1 +ATOM 529 O O . SER A 1 77 ? 60.738 20.819 -18.825 1.00 34.72 ? 95 SER A O 1 +ATOM 530 C CB . SER A 1 77 ? 62.081 23.349 -18.249 1.00 37.50 ? 95 SER A CB 1 +ATOM 531 O OG . SER A 1 77 ? 63.294 22.762 -17.806 1.00 40.85 ? 95 SER A OG 1 +ATOM 532 N N . GLY A 1 78 ? 60.764 20.523 -16.608 1.00 37.65 ? 96 GLY A N 1 +ATOM 533 C CA . GLY A 1 78 ? 60.688 19.076 -16.760 1.00 35.96 ? 96 GLY A CA 1 +ATOM 534 C C . GLY A 1 78 ? 59.291 18.609 -17.129 1.00 37.04 ? 96 GLY A C 1 +ATOM 535 O O . GLY A 1 78 ? 58.298 19.268 -16.817 1.00 37.16 ? 96 GLY A O 1 +ATOM 536 N N . ARG A 1 79 ? 59.217 17.483 -17.821 1.00 37.88 ? 97 ARG A N 1 +ATOM 537 C CA . ARG A 1 79 ? 57.942 16.904 -18.209 1.00 38.55 ? 97 ARG A CA 1 +ATOM 538 C C . ARG A 1 79 ? 57.559 15.885 -17.139 1.00 39.64 ? 97 ARG A C 1 +ATOM 539 O O . ARG A 1 79 ? 58.348 15.003 -16.812 1.00 40.80 ? 97 ARG A O 1 +ATOM 540 C CB . ARG A 1 79 ? 58.056 16.208 -19.570 1.00 35.38 ? 97 ARG A CB 1 +ATOM 541 C CG . ARG A 1 79 ? 56.836 15.347 -19.969 1.00 35.55 ? 97 ARG A CG 1 +ATOM 542 C CD . ARG A 1 79 ? 55.553 16.173 -20.105 1.00 35.56 ? 97 ARG A CD 1 +ATOM 543 N NE . ARG A 1 79 ? 55.555 17.015 -21.306 1.00 32.74 ? 97 ARG A NE 1 +ATOM 544 C CZ . ARG A 1 79 ? 55.220 18.302 -21.338 1.00 33.54 ? 97 ARG A CZ 1 +ATOM 545 N NH1 . ARG A 1 79 ? 55.257 18.957 -22.497 1.00 32.40 ? 97 ARG A NH1 1 +ATOM 546 N NH2 . ARG A 1 79 ? 54.863 18.943 -20.220 1.00 30.90 ? 97 ARG A NH2 1 +ATOM 547 N N . GLY A 1 80 ? 56.360 16.026 -16.586 1.00 42.17 ? 98 GLY A N 1 +ATOM 548 C CA . GLY A 1 80 ? 55.888 15.088 -15.585 1.00 44.37 ? 98 GLY A CA 1 +ATOM 549 C C . GLY A 1 80 ? 55.537 13.826 -16.340 1.00 47.34 ? 98 GLY A C 1 +ATOM 550 O O . GLY A 1 80 ? 54.626 13.835 -17.171 1.00 49.29 ? 98 GLY A O 1 +ATOM 551 N N . ASN A 1 81 ? 56.271 12.749 -16.092 1.00 48.69 ? 99 ASN A N 1 +ATOM 552 C CA . ASN A 1 81 ? 55.990 11.507 -16.792 1.00 51.95 ? 99 ASN A CA 1 +ATOM 553 C C . ASN A 1 81 ? 55.167 10.514 -15.989 1.00 51.24 ? 99 ASN A C 1 +ATOM 554 O O . ASN A 1 81 ? 54.990 10.655 -14.780 1.00 48.99 ? 99 ASN A O 1 +ATOM 555 C CB . ASN A 1 81 ? 57.284 10.858 -17.286 1.00 54.89 ? 99 ASN A CB 1 +ATOM 556 C CG . ASN A 1 81 ? 57.867 11.583 -18.489 1.00 57.51 ? 99 ASN A CG 1 +ATOM 557 O OD1 . ASN A 1 81 ? 58.644 12.527 -18.346 1.00 58.79 ? 99 ASN A OD1 1 +ATOM 558 N ND2 . ASN A 1 81 ? 57.470 11.156 -19.683 1.00 57.61 ? 99 ASN A ND2 1 +ATOM 559 N N . SER A 1 82 ? 54.664 9.510 -16.693 1.00 52.02 ? 100 SER A N 1 +ATOM 560 C CA . SER A 1 82 ? 53.823 8.488 -16.105 1.00 53.04 ? 100 SER A CA 1 +ATOM 561 C C . SER A 1 82 ? 54.171 7.127 -16.702 1.00 53.24 ? 100 SER A C 1 +ATOM 562 O O . SER A 1 82 ? 54.811 7.059 -17.753 1.00 53.04 ? 100 SER A O 1 +ATOM 563 C CB . SER A 1 82 ? 52.365 8.830 -16.401 1.00 53.90 ? 100 SER A CB 1 +ATOM 564 O OG . SER A 1 82 ? 52.135 8.823 -17.802 1.00 53.32 ? 100 SER A OG 1 +ATOM 565 N N . PRO A 1 83 ? 53.753 6.024 -16.041 1.00 53.79 ? 101 PRO A N 1 +ATOM 566 C CA . PRO A 1 83 ? 54.040 4.673 -16.545 1.00 53.15 ? 101 PRO A CA 1 +ATOM 567 C C . PRO A 1 83 ? 53.551 4.466 -17.980 1.00 51.98 ? 101 PRO A C 1 +ATOM 568 O O . PRO A 1 83 ? 54.261 3.903 -18.812 1.00 52.24 ? 101 PRO A O 1 +ATOM 569 C CB . PRO A 1 83 ? 53.305 3.777 -15.552 1.00 53.60 ? 101 PRO A CB 1 +ATOM 570 C CG . PRO A 1 83 ? 53.413 4.543 -14.283 1.00 54.58 ? 101 PRO A CG 1 +ATOM 571 C CD . PRO A 1 83 ? 53.081 5.947 -14.729 1.00 53.66 ? 101 PRO A CD 1 +ATOM 572 N N . ILE A 1 84 ? 52.336 4.934 -18.258 1.00 50.78 ? 102 ILE A N 1 +ATOM 573 C CA . ILE A 1 84 ? 51.740 4.811 -19.584 1.00 50.01 ? 102 ILE A CA 1 +ATOM 574 C C . ILE A 1 84 ? 52.511 5.607 -20.646 1.00 49.66 ? 102 ILE A C 1 +ATOM 575 O O . ILE A 1 84 ? 52.685 5.130 -21.765 1.00 48.66 ? 102 ILE A O 1 +ATOM 576 C CB . ILE A 1 84 ? 50.254 5.243 -19.544 1.00 49.71 ? 102 ILE A CB 1 +ATOM 577 C CG1 . ILE A 1 84 ? 49.473 4.247 -18.675 1.00 48.95 ? 102 ILE A CG1 1 +ATOM 578 C CG2 . ILE A 1 84 ? 49.664 5.300 -20.967 1.00 49.00 ? 102 ILE A CG2 1 +ATOM 579 C CD1 . ILE A 1 84 ? 48.067 4.675 -18.310 1.00 49.99 ? 102 ILE A CD1 1 +ATOM 580 N N . SER A 1 85 ? 52.974 6.806 -20.296 1.00 50.70 ? 103 SER A N 1 +ATOM 581 C CA . SER A 1 85 ? 53.743 7.627 -21.233 1.00 53.79 ? 103 SER A CA 1 +ATOM 582 C C . SER A 1 85 ? 55.058 6.947 -21.603 1.00 54.89 ? 103 SER A C 1 +ATOM 583 O O . SER A 1 85 ? 55.407 6.876 -22.779 1.00 55.09 ? 103 SER A O 1 +ATOM 584 C CB . SER A 1 85 ? 54.032 9.016 -20.646 1.00 53.02 ? 103 SER A CB 1 +ATOM 585 O OG . SER A 1 85 ? 52.975 9.921 -20.930 1.00 55.82 ? 103 SER A OG 1 +ATOM 586 N N . GLN A 1 86 ? 55.776 6.443 -20.600 1.00 56.43 ? 104 GLN A N 1 +ATOM 587 C CA . GLN A 1 86 ? 57.045 5.760 -20.834 1.00 58.83 ? 104 GLN A CA 1 +ATOM 588 C C . GLN A 1 86 ? 56.875 4.476 -21.638 1.00 59.10 ? 104 GLN A C 1 +ATOM 589 O O . GLN A 1 86 ? 57.799 4.048 -22.321 1.00 60.12 ? 104 GLN A O 1 +ATOM 590 C CB . GLN A 1 86 ? 57.738 5.440 -19.505 1.00 60.23 ? 104 GLN A CB 1 +ATOM 591 C CG . GLN A 1 86 ? 58.420 6.643 -18.851 1.00 63.59 ? 104 GLN A CG 1 +ATOM 592 C CD . GLN A 1 86 ? 59.634 7.160 -19.628 1.00 64.17 ? 104 GLN A CD 1 +ATOM 593 O OE1 . GLN A 1 86 ? 59.971 8.343 -19.544 1.00 65.49 ? 104 GLN A OE1 1 +ATOM 594 N NE2 . GLN A 1 86 ? 60.301 6.275 -20.369 1.00 63.38 ? 104 GLN A NE2 1 +ATOM 595 N N . ARG A 1 87 ? 55.694 3.872 -21.558 1.00 59.52 ? 105 ARG A N 1 +ATOM 596 C CA . ARG A 1 87 ? 55.414 2.636 -22.277 1.00 60.99 ? 105 ARG A CA 1 +ATOM 597 C C . ARG A 1 87 ? 55.062 2.884 -23.747 1.00 60.08 ? 105 ARG A C 1 +ATOM 598 O O . ARG A 1 87 ? 55.394 2.075 -24.614 1.00 60.13 ? 105 ARG A O 1 +ATOM 599 C CB . ARG A 1 87 ? 54.281 1.880 -21.577 1.00 63.17 ? 105 ARG A CB 1 +ATOM 600 C CG . ARG A 1 87 ? 54.469 0.368 -21.548 1.00 68.03 ? 105 ARG A CG 1 +ATOM 601 C CD . ARG A 1 87 ? 53.429 -0.315 -20.655 1.00 71.92 ? 105 ARG A CD 1 +ATOM 602 N NE . ARG A 1 87 ? 53.507 0.138 -19.262 1.00 74.47 ? 105 ARG A NE 1 +ATOM 603 C CZ . ARG A 1 87 ? 52.774 -0.347 -18.260 1.00 75.78 ? 105 ARG A CZ 1 +ATOM 604 N NH1 . ARG A 1 87 ? 51.887 -1.313 -18.473 1.00 77.06 ? 105 ARG A NH1 1 +ATOM 605 N NH2 . ARG A 1 87 ? 52.933 0.136 -17.035 1.00 76.50 ? 105 ARG A NH2 1 +ATOM 606 N N . ILE A 1 88 ? 54.396 4.003 -24.024 1.00 59.16 ? 106 ILE A N 1 +ATOM 607 C CA . ILE A 1 88 ? 54.012 4.356 -25.391 1.00 57.76 ? 106 ILE A CA 1 +ATOM 608 C C . ILE A 1 88 ? 55.174 4.993 -26.167 1.00 57.63 ? 106 ILE A C 1 +ATOM 609 O O . ILE A 1 88 ? 55.440 4.616 -27.308 1.00 58.01 ? 106 ILE A O 1 +ATOM 610 C CB . ILE A 1 88 ? 52.801 5.349 -25.410 1.00 56.10 ? 106 ILE A CB 1 +ATOM 611 C CG1 . ILE A 1 88 ? 51.554 4.672 -24.831 1.00 55.31 ? 106 ILE A CG1 1 +ATOM 612 C CG2 . ILE A 1 88 ? 52.512 5.819 -26.844 1.00 56.30 ? 106 ILE A CG2 1 +ATOM 613 C CD1 . ILE A 1 88 ? 50.344 5.587 -24.660 1.00 52.44 ? 106 ILE A CD1 1 +ATOM 614 N N . THR A 1 89 ? 55.863 5.945 -25.540 1.00 56.53 ? 107 THR A N 1 +ATOM 615 C CA . THR A 1 89 ? 56.962 6.667 -26.192 1.00 56.03 ? 107 THR A CA 1 +ATOM 616 C C . THR A 1 89 ? 58.362 6.110 -25.961 1.00 56.59 ? 107 THR A C 1 +ATOM 617 O O . THR A 1 89 ? 59.241 6.280 -26.811 1.00 56.40 ? 107 THR A O 1 +ATOM 618 C CB . THR A 1 89 ? 56.999 8.146 -25.750 1.00 54.66 ? 107 THR A CB 1 +ATOM 619 O OG1 . THR A 1 89 ? 57.321 8.214 -24.356 1.00 51.86 ? 107 THR A OG1 1 +ATOM 620 C CG2 . THR A 1 89 ? 55.654 8.822 -25.995 1.00 54.56 ? 107 THR A CG2 1 +ATOM 621 N N . LYS A 1 90 ? 58.561 5.469 -24.807 1.00 55.88 ? 108 LYS A N 1 +ATOM 622 C CA . LYS A 1 90 ? 59.848 4.898 -24.401 1.00 54.78 ? 108 LYS A CA 1 +ATOM 623 C C . LYS A 1 90 ? 60.844 6.012 -24.088 1.00 53.01 ? 108 LYS A C 1 +ATOM 624 O O . LYS A 1 90 ? 62.052 5.783 -24.026 1.00 52.73 ? 108 LYS A O 1 +ATOM 625 C CB . LYS A 1 90 ? 60.412 3.964 -25.487 1.00 56.84 ? 108 LYS A CB 1 +ATOM 626 C CG . LYS A 1 90 ? 59.521 2.769 -25.811 1.00 60.37 ? 108 LYS A CG 1 +ATOM 627 C CD . LYS A 1 90 ? 60.040 1.985 -27.014 1.00 63.66 ? 108 LYS A CD 1 +ATOM 628 C CE . LYS A 1 90 ? 59.137 0.795 -27.346 1.00 66.44 ? 108 LYS A CE 1 +ATOM 629 N NZ . LYS A 1 90 ? 59.129 -0.255 -26.277 1.00 66.78 ? 108 LYS A NZ 1 +ATOM 630 N N . GLY A 1 91 ? 60.318 7.218 -23.879 1.00 52.12 ? 109 GLY A N 1 +ATOM 631 C CA . GLY A 1 91 ? 61.145 8.375 -23.571 1.00 49.06 ? 109 GLY A CA 1 +ATOM 632 C C . GLY A 1 91 ? 61.725 9.049 -24.802 1.00 47.07 ? 109 GLY A C 1 +ATOM 633 O O . GLY A 1 91 ? 62.558 9.956 -24.689 1.00 45.59 ? 109 GLY A O 1 +ATOM 634 N N . LEU A 1 92 ? 61.280 8.604 -25.975 1.00 45.99 ? 110 LEU A N 1 +ATOM 635 C CA . LEU A 1 92 ? 61.753 9.143 -27.248 1.00 45.87 ? 110 LEU A CA 1 +ATOM 636 C C . LEU A 1 92 ? 60.908 10.332 -27.682 1.00 45.91 ? 110 LEU A C 1 +ATOM 637 O O . LEU A 1 92 ? 59.789 10.525 -27.190 1.00 46.46 ? 110 LEU A O 1 +ATOM 638 C CB . LEU A 1 92 ? 61.685 8.065 -28.336 1.00 46.18 ? 110 LEU A CB 1 +ATOM 639 C CG . LEU A 1 92 ? 62.418 6.729 -28.138 1.00 47.56 ? 110 LEU A CG 1 +ATOM 640 C CD1 . LEU A 1 92 ? 62.004 5.773 -29.249 1.00 47.71 ? 110 LEU A CD1 1 +ATOM 641 C CD2 . LEU A 1 92 ? 63.923 6.929 -28.138 1.00 46.35 ? 110 LEU A CD2 1 +ATOM 642 N N . GLY A 1 93 ? 61.452 11.133 -28.596 1.00 44.14 ? 111 GLY A N 1 +ATOM 643 C CA . GLY A 1 93 ? 60.716 12.272 -29.105 1.00 40.23 ? 111 GLY A CA 1 +ATOM 644 C C . GLY A 1 93 ? 60.888 13.574 -28.362 1.00 39.41 ? 111 GLY A C 1 +ATOM 645 O O . GLY A 1 93 ? 61.950 13.865 -27.806 1.00 41.31 ? 111 GLY A O 1 +ATOM 646 N N . ILE A 1 94 ? 59.813 14.353 -28.341 1.00 37.38 ? 112 ILE A N 1 +ATOM 647 C CA . ILE A 1 94 ? 59.810 15.662 -27.716 1.00 35.15 ? 112 ILE A CA 1 +ATOM 648 C C . ILE A 1 94 ? 58.843 15.807 -26.537 1.00 34.81 ? 112 ILE A C 1 +ATOM 649 O O . ILE A 1 94 ? 59.211 16.367 -25.501 1.00 34.33 ? 112 ILE A O 1 +ATOM 650 C CB . ILE A 1 94 ? 59.531 16.760 -28.821 1.00 35.32 ? 112 ILE A CB 1 +ATOM 651 C CG1 . ILE A 1 94 ? 59.389 18.150 -28.193 1.00 34.97 ? 112 ILE A CG1 1 +ATOM 652 C CG2 . ILE A 1 94 ? 58.303 16.368 -29.660 1.00 32.71 ? 112 ILE A CG2 1 +ATOM 653 C CD1 . ILE A 1 94 ? 59.281 19.290 -29.215 1.00 36.38 ? 112 ILE A CD1 1 +ATOM 654 N N . ILE A 1 95 ? 57.623 15.299 -26.676 1.00 34.59 ? 113 ILE A N 1 +ATOM 655 C CA . ILE A 1 95 ? 56.625 15.429 -25.606 1.00 36.35 ? 113 ILE A CA 1 +ATOM 656 C C . ILE A 1 95 ? 57.023 14.790 -24.270 1.00 36.99 ? 113 ILE A C 1 +ATOM 657 O O . ILE A 1 95 ? 56.926 15.435 -23.221 1.00 33.72 ? 113 ILE A O 1 +ATOM 658 C CB . ILE A 1 95 ? 55.252 14.835 -26.023 1.00 37.54 ? 113 ILE A CB 1 +ATOM 659 C CG1 . ILE A 1 95 ? 54.718 15.560 -27.266 1.00 37.81 ? 113 ILE A CG1 1 +ATOM 660 C CG2 . ILE A 1 95 ? 54.246 14.969 -24.861 1.00 36.65 ? 113 ILE A CG2 1 +ATOM 661 C CD1 . ILE A 1 95 ? 53.481 14.907 -27.874 1.00 33.76 ? 113 ILE A CD1 1 +ATOM 662 N N . SER A 1 96 ? 57.488 13.544 -24.321 1.00 36.64 ? 114 SER A N 1 +ATOM 663 C CA . SER A 1 96 ? 57.843 12.802 -23.112 1.00 39.71 ? 114 SER A CA 1 +ATOM 664 C C . SER A 1 96 ? 59.310 12.718 -22.738 1.00 38.69 ? 114 SER A C 1 +ATOM 665 O O . SER A 1 96 ? 59.661 12.002 -21.796 1.00 39.46 ? 114 SER A O 1 +ATOM 666 C CB . SER A 1 96 ? 57.281 11.385 -23.203 1.00 39.31 ? 114 SER A CB 1 +ATOM 667 O OG . SER A 1 96 ? 55.870 11.433 -23.329 1.00 45.40 ? 114 SER A OG 1 +ATOM 668 N N . SER A 1 97 ? 60.168 13.435 -23.455 1.00 37.27 ? 115 SER A N 1 +ATOM 669 C CA . SER A 1 97 ? 61.588 13.398 -23.149 1.00 36.36 ? 115 SER A CA 1 +ATOM 670 C C . SER A 1 97 ? 61.982 14.505 -22.181 1.00 35.72 ? 115 SER A C 1 +ATOM 671 O O . SER A 1 97 ? 61.236 15.467 -21.974 1.00 34.76 ? 115 SER A O 1 +ATOM 672 C CB . SER A 1 97 ? 62.413 13.481 -24.437 1.00 37.63 ? 115 SER A CB 1 +ATOM 673 O OG . SER A 1 97 ? 62.055 14.604 -25.215 1.00 41.44 ? 115 SER A OG 1 +ATOM 674 N N . ASN A 1 98 ? 63.150 14.348 -21.568 1.00 34.81 ? 116 ASN A N 1 +ATOM 675 C CA . ASN A 1 98 ? 63.666 15.318 -20.611 1.00 35.01 ? 116 ASN A CA 1 +ATOM 676 C C . ASN A 1 98 ? 65.165 15.460 -20.809 1.00 35.54 ? 116 ASN A C 1 +ATOM 677 O O . ASN A 1 98 ? 65.740 14.814 -21.687 1.00 34.28 ? 116 ASN A O 1 +ATOM 678 C CB . ASN A 1 98 ? 63.369 14.861 -19.178 1.00 36.09 ? 116 ASN A CB 1 +ATOM 679 C CG . ASN A 1 98 ? 61.960 15.214 -18.729 1.00 38.20 ? 116 ASN A CG 1 +ATOM 680 O OD1 . ASN A 1 98 ? 61.632 16.394 -18.551 1.00 35.54 ? 116 ASN A OD1 1 +ATOM 681 N ND2 . ASN A 1 98 ? 61.118 14.194 -18.544 1.00 35.62 ? 116 ASN A ND2 1 +ATOM 682 N N . GLY A 1 99 ? 65.781 16.320 -20.002 1.00 37.43 ? 117 GLY A N 1 +ATOM 683 C CA . GLY A 1 99 ? 67.213 16.539 -20.068 1.00 39.94 ? 117 GLY A CA 1 +ATOM 684 C C . GLY A 1 99 ? 67.753 16.926 -21.432 1.00 44.99 ? 117 GLY A C 1 +ATOM 685 O O . GLY A 1 99 ? 67.074 17.580 -22.234 1.00 43.95 ? 117 GLY A O 1 +ATOM 686 N N . LYS A 1 100 ? 68.985 16.497 -21.686 1.00 45.91 ? 118 LYS A N 1 +ATOM 687 C CA . LYS A 1 100 ? 69.690 16.778 -22.928 1.00 47.54 ? 118 LYS A CA 1 +ATOM 688 C C . LYS A 1 100 ? 68.938 16.368 -24.195 1.00 46.03 ? 118 LYS A C 1 +ATOM 689 O O . LYS A 1 100 ? 68.975 17.090 -25.195 1.00 45.37 ? 118 LYS A O 1 +ATOM 690 C CB . LYS A 1 100 ? 71.082 16.121 -22.886 1.00 50.77 ? 118 LYS A CB 1 +ATOM 691 C CG . LYS A 1 100 ? 71.074 14.627 -22.520 1.00 57.58 ? 118 LYS A CG 1 +ATOM 692 C CD . LYS A 1 100 ? 72.092 14.287 -21.419 1.00 59.08 ? 118 LYS A CD 1 +ATOM 693 C CE . LYS A 1 100 ? 71.410 13.715 -20.174 1.00 60.68 ? 118 LYS A CE 1 +ATOM 694 N NZ . LYS A 1 100 ? 70.465 14.675 -19.514 1.00 59.46 ? 118 LYS A NZ 1 +ATOM 695 N N . ARG A 1 101 ? 68.252 15.227 -24.157 1.00 44.52 ? 119 ARG A N 1 +ATOM 696 C CA . ARG A 1 101 ? 67.507 14.760 -25.322 1.00 43.16 ? 119 ARG A CA 1 +ATOM 697 C C . ARG A 1 101 ? 66.380 15.735 -25.663 1.00 42.86 ? 119 ARG A C 1 +ATOM 698 O O . ARG A 1 101 ? 66.163 16.057 -26.831 1.00 42.03 ? 119 ARG A O 1 +ATOM 699 C CB . ARG A 1 101 ? 66.926 13.367 -25.075 1.00 43.14 ? 119 ARG A CB 1 +ATOM 700 C CG . ARG A 1 101 ? 66.067 12.843 -26.233 1.00 47.36 ? 119 ARG A CG 1 +ATOM 701 C CD . ARG A 1 101 ? 65.572 11.431 -25.983 1.00 48.63 ? 119 ARG A CD 1 +ATOM 702 N NE . ARG A 1 101 ? 66.688 10.506 -25.783 1.00 52.19 ? 119 ARG A NE 1 +ATOM 703 C CZ . ARG A 1 101 ? 66.568 9.228 -25.438 1.00 53.33 ? 119 ARG A CZ 1 +ATOM 704 N NH1 . ARG A 1 101 ? 67.658 8.489 -25.282 1.00 54.55 ? 119 ARG A NH1 1 +ATOM 705 N NH2 . ARG A 1 101 ? 65.369 8.686 -25.251 1.00 53.98 ? 119 ARG A NH2 1 +ATOM 706 N N . TRP A 1 102 ? 65.674 16.204 -24.639 1.00 41.62 ? 120 TRP A N 1 +ATOM 707 C CA . TRP A 1 102 ? 64.585 17.137 -24.850 1.00 40.24 ? 120 TRP A CA 1 +ATOM 708 C C . TRP A 1 102 ? 65.109 18.419 -25.486 1.00 40.82 ? 120 TRP A C 1 +ATOM 709 O O . TRP A 1 102 ? 64.608 18.837 -26.531 1.00 40.43 ? 120 TRP A O 1 +ATOM 710 C CB . TRP A 1 102 ? 63.879 17.476 -23.528 1.00 35.28 ? 120 TRP A CB 1 +ATOM 711 C CG . TRP A 1 102 ? 62.893 18.609 -23.666 1.00 31.60 ? 120 TRP A CG 1 +ATOM 712 C CD1 . TRP A 1 102 ? 61.765 18.627 -24.447 1.00 30.56 ? 120 TRP A CD1 1 +ATOM 713 C CD2 . TRP A 1 102 ? 62.960 19.891 -23.030 1.00 30.29 ? 120 TRP A CD2 1 +ATOM 714 N NE1 . TRP A 1 102 ? 61.130 19.838 -24.335 1.00 28.98 ? 120 TRP A NE1 1 +ATOM 715 C CE2 . TRP A 1 102 ? 61.834 20.636 -23.474 1.00 28.97 ? 120 TRP A CE2 1 +ATOM 716 C CE3 . TRP A 1 102 ? 63.859 20.489 -22.125 1.00 31.80 ? 120 TRP A CE3 1 +ATOM 717 C CZ2 . TRP A 1 102 ? 61.578 21.959 -23.045 1.00 30.99 ? 120 TRP A CZ2 1 +ATOM 718 C CZ3 . TRP A 1 102 ? 63.607 21.816 -21.689 1.00 33.31 ? 120 TRP A CZ3 1 +ATOM 719 C CH2 . TRP A 1 102 ? 62.468 22.533 -22.157 1.00 32.56 ? 120 TRP A CH2 1 +ATOM 720 N N . LYS A 1 103 ? 66.106 19.032 -24.851 1.00 40.58 ? 121 LYS A N 1 +ATOM 721 C CA . LYS A 1 103 ? 66.676 20.277 -25.344 1.00 44.37 ? 121 LYS A CA 1 +ATOM 722 C C . LYS A 1 103 ? 67.115 20.236 -26.799 1.00 44.22 ? 121 LYS A C 1 +ATOM 723 O O . LYS A 1 103 ? 66.816 21.156 -27.559 1.00 46.05 ? 121 LYS A O 1 +ATOM 724 C CB . LYS A 1 103 ? 67.844 20.722 -24.466 1.00 45.27 ? 121 LYS A CB 1 +ATOM 725 C CG . LYS A 1 103 ? 67.419 21.214 -23.096 1.00 49.82 ? 121 LYS A CG 1 +ATOM 726 C CD . LYS A 1 103 ? 68.536 22.010 -22.437 1.00 53.59 ? 121 LYS A CD 1 +ATOM 727 C CE . LYS A 1 103 ? 68.174 22.418 -21.019 1.00 54.74 ? 121 LYS A CE 1 +ATOM 728 N NZ . LYS A 1 103 ? 68.103 21.238 -20.114 1.00 57.00 ? 121 LYS A NZ 1 +ATOM 729 N N . GLU A 1 104 ? 67.796 19.167 -27.195 1.00 44.30 ? 122 GLU A N 1 +ATOM 730 C CA . GLU A 1 104 ? 68.262 19.054 -28.570 1.00 46.18 ? 122 GLU A CA 1 +ATOM 731 C C . GLU A 1 104 ? 67.158 18.806 -29.595 1.00 44.17 ? 122 GLU A C 1 +ATOM 732 O O . GLU A 1 104 ? 67.123 19.473 -30.629 1.00 42.84 ? 122 GLU A O 1 +ATOM 733 C CB . GLU A 1 104 ? 69.362 17.986 -28.670 1.00 48.86 ? 122 GLU A CB 1 +ATOM 734 C CG . GLU A 1 104 ? 70.721 18.523 -28.207 1.00 54.60 ? 122 GLU A CG 1 +ATOM 735 C CD . GLU A 1 104 ? 71.842 17.499 -28.268 1.00 59.21 ? 122 GLU A CD 1 +ATOM 736 O OE1 . GLU A 1 104 ? 71.921 16.752 -29.269 1.00 60.11 ? 122 GLU A OE1 1 +ATOM 737 O OE2 . GLU A 1 104 ? 72.659 17.457 -27.315 1.00 61.24 ? 122 GLU A OE2 1 +ATOM 738 N N . ILE A 1 105 ? 66.259 17.868 -29.311 1.00 42.33 ? 123 ILE A N 1 +ATOM 739 C CA . ILE A 1 105 ? 65.161 17.559 -30.225 1.00 40.91 ? 123 ILE A CA 1 +ATOM 740 C C . ILE A 1 105 ? 64.220 18.759 -30.373 1.00 38.68 ? 123 ILE A C 1 +ATOM 741 O O . ILE A 1 105 ? 63.768 19.052 -31.476 1.00 37.20 ? 123 ILE A O 1 +ATOM 742 C CB . ILE A 1 105 ? 64.351 16.314 -29.743 1.00 42.91 ? 123 ILE A CB 1 +ATOM 743 C CG1 . ILE A 1 105 ? 65.259 15.072 -29.704 1.00 42.47 ? 123 ILE A CG1 1 +ATOM 744 C CG2 . ILE A 1 105 ? 63.144 16.062 -30.663 1.00 41.45 ? 123 ILE A CG2 1 +ATOM 745 C CD1 . ILE A 1 105 ? 65.845 14.634 -31.048 1.00 43.38 ? 123 ILE A CD1 1 +ATOM 746 N N . ARG A 1 106 ? 63.947 19.457 -29.273 1.00 37.68 ? 124 ARG A N 1 +ATOM 747 C CA . ARG A 1 106 ? 63.062 20.615 -29.308 1.00 38.07 ? 124 ARG A CA 1 +ATOM 748 C C . ARG A 1 106 ? 63.682 21.783 -30.070 1.00 39.11 ? 124 ARG A C 1 +ATOM 749 O O . ARG A 1 106 ? 63.009 22.410 -30.881 1.00 38.01 ? 124 ARG A O 1 +ATOM 750 C CB . ARG A 1 106 ? 62.695 21.080 -27.894 1.00 36.04 ? 124 ARG A CB 1 +ATOM 751 C CG . ARG A 1 106 ? 61.629 22.183 -27.881 1.00 34.09 ? 124 ARG A CG 1 +ATOM 752 C CD . ARG A 1 106 ? 61.328 22.677 -26.484 1.00 35.38 ? 124 ARG A CD 1 +ATOM 753 N NE . ARG A 1 106 ? 60.707 24.005 -26.493 1.00 34.76 ? 124 ARG A NE 1 +ATOM 754 C CZ . ARG A 1 106 ? 59.399 24.260 -26.480 1.00 31.98 ? 124 ARG A CZ 1 +ATOM 755 N NH1 . ARG A 1 106 ? 58.509 23.281 -26.456 1.00 32.63 ? 124 ARG A NH1 1 +ATOM 756 N NH2 . ARG A 1 106 ? 58.981 25.517 -26.483 1.00 31.79 ? 124 ARG A NH2 1 +ATOM 757 N N . ARG A 1 107 ? 64.956 22.068 -29.794 1.00 40.16 ? 125 ARG A N 1 +ATOM 758 C CA . ARG A 1 107 ? 65.681 23.156 -30.437 1.00 41.30 ? 125 ARG A CA 1 +ATOM 759 C C . ARG A 1 107 ? 65.654 22.957 -31.948 1.00 41.53 ? 125 ARG A C 1 +ATOM 760 O O . ARG A 1 107 ? 65.407 23.899 -32.702 1.00 41.55 ? 125 ARG A O 1 +ATOM 761 C CB . ARG A 1 107 ? 67.122 23.202 -29.920 1.00 44.42 ? 125 ARG A CB 1 +ATOM 762 C CG . ARG A 1 107 ? 67.953 24.363 -30.441 1.00 47.24 ? 125 ARG A CG 1 +ATOM 763 C CD . ARG A 1 107 ? 69.260 24.481 -29.672 1.00 49.09 ? 125 ARG A CD 1 +ATOM 764 N NE . ARG A 1 107 ? 70.116 25.544 -30.198 1.00 48.80 ? 125 ARG A NE 1 +ATOM 765 C CZ . ARG A 1 107 ? 71.139 26.088 -29.543 1.00 51.09 ? 125 ARG A CZ 1 +ATOM 766 N NH1 . ARG A 1 107 ? 71.457 25.677 -28.315 1.00 51.34 ? 125 ARG A NH1 1 +ATOM 767 N NH2 . ARG A 1 107 ? 71.846 27.054 -30.114 1.00 49.15 ? 125 ARG A NH2 1 +ATOM 768 N N . PHE A 1 108 ? 65.890 21.722 -32.380 1.00 39.72 ? 126 PHE A N 1 +ATOM 769 C CA . PHE A 1 108 ? 65.854 21.391 -33.792 1.00 38.33 ? 126 PHE A CA 1 +ATOM 770 C C . PHE A 1 108 ? 64.428 21.528 -34.321 1.00 39.47 ? 126 PHE A C 1 +ATOM 771 O O . PHE A 1 108 ? 64.217 22.141 -35.367 1.00 40.58 ? 126 PHE A O 1 +ATOM 772 C CB . PHE A 1 108 ? 66.359 19.964 -34.019 1.00 36.67 ? 126 PHE A CB 1 +ATOM 773 C CG . PHE A 1 108 ? 65.996 19.391 -35.363 1.00 37.98 ? 126 PHE A CG 1 +ATOM 774 C CD1 . PHE A 1 108 ? 64.797 18.673 -35.536 1.00 39.02 ? 126 PHE A CD1 1 +ATOM 775 C CD2 . PHE A 1 108 ? 66.830 19.593 -36.472 1.00 38.56 ? 126 PHE A CD2 1 +ATOM 776 C CE1 . PHE A 1 108 ? 64.432 18.164 -36.802 1.00 39.22 ? 126 PHE A CE1 1 +ATOM 777 C CE2 . PHE A 1 108 ? 66.479 19.087 -37.744 1.00 37.20 ? 126 PHE A CE2 1 +ATOM 778 C CZ . PHE A 1 108 ? 65.278 18.372 -37.906 1.00 37.33 ? 126 PHE A CZ 1 +ATOM 779 N N . SER A 1 109 ? 63.470 20.939 -33.603 1.00 37.63 ? 127 SER A N 1 +ATOM 780 C CA . SER A 1 109 ? 62.061 20.961 -33.991 1.00 36.48 ? 127 SER A CA 1 +ATOM 781 C C . SER A 1 109 ? 61.527 22.369 -34.189 1.00 35.46 ? 127 SER A C 1 +ATOM 782 O O . SER A 1 109 ? 60.810 22.622 -35.147 1.00 35.11 ? 127 SER A O 1 +ATOM 783 C CB . SER A 1 109 ? 61.203 20.241 -32.943 1.00 35.01 ? 127 SER A CB 1 +ATOM 784 O OG . SER A 1 109 ? 61.582 18.879 -32.823 1.00 36.60 ? 127 SER A OG 1 +ATOM 785 N N . LEU A 1 110 ? 61.876 23.270 -33.275 1.00 36.09 ? 128 LEU A N 1 +ATOM 786 C CA . LEU A 1 110 ? 61.437 24.653 -33.344 1.00 38.05 ? 128 LEU A CA 1 +ATOM 787 C C . LEU A 1 110 ? 61.977 25.376 -34.576 1.00 39.88 ? 128 LEU A C 1 +ATOM 788 O O . LEU A 1 110 ? 61.229 26.085 -35.249 1.00 38.92 ? 128 LEU A O 1 +ATOM 789 C CB . LEU A 1 110 ? 61.856 25.418 -32.085 1.00 37.28 ? 128 LEU A CB 1 +ATOM 790 C CG . LEU A 1 110 ? 61.152 25.115 -30.755 1.00 39.53 ? 128 LEU A CG 1 +ATOM 791 C CD1 . LEU A 1 110 ? 61.705 26.038 -29.681 1.00 36.87 ? 128 LEU A CD1 1 +ATOM 792 C CD2 . LEU A 1 110 ? 59.643 25.328 -30.883 1.00 40.46 ? 128 LEU A CD2 1 +ATOM 793 N N . THR A 1 111 ? 63.263 25.188 -34.878 1.00 39.93 ? 129 THR A N 1 +ATOM 794 C CA . THR A 1 111 ? 63.856 25.857 -36.027 1.00 41.72 ? 129 THR A CA 1 +ATOM 795 C C . THR A 1 111 ? 63.313 25.331 -37.352 1.00 41.32 ? 129 THR A C 1 +ATOM 796 O O . THR A 1 111 ? 63.105 26.117 -38.276 1.00 41.36 ? 129 THR A O 1 +ATOM 797 C CB . THR A 1 111 ? 65.419 25.771 -36.039 1.00 43.60 ? 129 THR A CB 1 +ATOM 798 O OG1 . THR A 1 111 ? 65.836 24.447 -36.380 1.00 48.43 ? 129 THR A OG1 1 +ATOM 799 C CG2 . THR A 1 111 ? 65.991 26.143 -34.684 1.00 41.50 ? 129 THR A CG2 1 +ATOM 800 N N . THR A 1 112 ? 63.057 24.026 -37.456 1.00 39.90 ? 130 THR A N 1 +ATOM 801 C CA . THR A 1 112 ? 62.534 23.491 -38.713 1.00 41.44 ? 130 THR A CA 1 +ATOM 802 C C . THR A 1 112 ? 61.032 23.744 -38.878 1.00 40.56 ? 130 THR A C 1 +ATOM 803 O O . THR A 1 112 ? 60.507 23.641 -39.986 1.00 40.52 ? 130 THR A O 1 +ATOM 804 C CB . THR A 1 112 ? 62.784 21.977 -38.877 1.00 42.44 ? 130 THR A CB 1 +ATOM 805 O OG1 . THR A 1 112 ? 61.803 21.252 -38.144 1.00 51.78 ? 130 THR A OG1 1 +ATOM 806 C CG2 . THR A 1 112 ? 64.143 21.596 -38.373 1.00 43.52 ? 130 THR A CG2 1 +ATOM 807 N N . LEU A 1 113 ? 60.343 24.068 -37.782 1.00 38.83 ? 131 LEU A N 1 +ATOM 808 C CA . LEU A 1 113 ? 58.910 24.356 -37.839 1.00 38.39 ? 131 LEU A CA 1 +ATOM 809 C C . LEU A 1 113 ? 58.655 25.845 -38.067 1.00 37.45 ? 131 LEU A C 1 +ATOM 810 O O . LEU A 1 113 ? 57.522 26.317 -37.957 1.00 35.23 ? 131 LEU A O 1 +ATOM 811 C CB . LEU A 1 113 ? 58.192 23.880 -36.563 1.00 36.07 ? 131 LEU A CB 1 +ATOM 812 C CG . LEU A 1 113 ? 57.941 22.371 -36.443 1.00 37.24 ? 131 LEU A CG 1 +ATOM 813 C CD1 . LEU A 1 113 ? 57.324 22.056 -35.074 1.00 35.70 ? 131 LEU A CD1 1 +ATOM 814 C CD2 . LEU A 1 113 ? 57.026 21.898 -37.568 1.00 35.12 ? 131 LEU A CD2 1 +ATOM 815 N N . ARG A 1 114 ? 59.718 26.587 -38.373 1.00 38.16 ? 132 ARG A N 1 +ATOM 816 C CA . ARG A 1 114 ? 59.586 28.011 -38.672 1.00 38.11 ? 132 ARG A CA 1 +ATOM 817 C C . ARG A 1 114 ? 58.922 28.052 -40.039 1.00 34.39 ? 132 ARG A C 1 +ATOM 818 O O . ARG A 1 114 ? 59.004 27.087 -40.795 1.00 33.57 ? 132 ARG A O 1 +ATOM 819 C CB . ARG A 1 114 ? 60.954 28.701 -38.710 1.00 38.37 ? 132 ARG A CB 1 +ATOM 820 C CG . ARG A 1 114 ? 61.644 28.746 -37.353 1.00 43.67 ? 132 ARG A CG 1 +ATOM 821 C CD . ARG A 1 114 ? 62.932 29.546 -37.416 1.00 46.14 ? 132 ARG A CD 1 +ATOM 822 N NE . ARG A 1 114 ? 62.649 30.962 -37.631 1.00 49.40 ? 132 ARG A NE 1 +ATOM 823 C CZ . ARG A 1 114 ? 63.542 31.867 -38.019 1.00 49.16 ? 132 ARG A CZ 1 +ATOM 824 N NH1 . ARG A 1 114 ? 64.804 31.518 -38.248 1.00 49.94 ? 132 ARG A NH1 1 +ATOM 825 N NH2 . ARG A 1 114 ? 63.168 33.128 -38.169 1.00 49.36 ? 132 ARG A NH2 1 +ATOM 826 N N . ASN A 1 115 ? 58.260 29.158 -40.348 1.00 35.08 ? 133 ASN A N 1 +ATOM 827 C CA . ASN A 1 115 ? 57.535 29.301 -41.607 1.00 37.82 ? 133 ASN A CA 1 +ATOM 828 C C . ASN A 1 115 ? 58.320 28.825 -42.831 1.00 38.84 ? 133 ASN A C 1 +ATOM 829 O O . ASN A 1 115 ? 57.773 28.130 -43.683 1.00 39.87 ? 133 ASN A O 1 +ATOM 830 C CB . ASN A 1 115 ? 57.065 30.755 -41.774 1.00 37.19 ? 133 ASN A CB 1 +ATOM 831 C CG . ASN A 1 115 ? 55.982 30.899 -42.834 1.00 41.93 ? 133 ASN A CG 1 +ATOM 832 O OD1 . ASN A 1 115 ? 55.124 30.019 -42.989 1.00 40.95 ? 133 ASN A OD1 1 +ATOM 833 N ND2 . ASN A 1 115 ? 56.009 32.014 -43.565 1.00 40.32 ? 133 ASN A ND2 1 +ATOM 834 N N . PHE A 1 116 ? 59.603 29.171 -42.898 1.00 40.16 ? 134 PHE A N 1 +ATOM 835 C CA . PHE A 1 116 ? 60.463 28.759 -44.008 1.00 42.90 ? 134 PHE A CA 1 +ATOM 836 C C . PHE A 1 116 ? 61.618 27.894 -43.498 1.00 45.33 ? 134 PHE A C 1 +ATOM 837 O O . PHE A 1 116 ? 62.721 27.916 -44.056 1.00 48.63 ? 134 PHE A O 1 +ATOM 838 C CB . PHE A 1 116 ? 61.016 29.998 -44.730 1.00 39.66 ? 134 PHE A CB 1 +ATOM 839 C CG . PHE A 1 116 ? 60.006 30.710 -45.573 1.00 36.42 ? 134 PHE A CG 1 +ATOM 840 C CD1 . PHE A 1 116 ? 59.738 30.278 -46.883 1.00 38.56 ? 134 PHE A CD1 1 +ATOM 841 C CD2 . PHE A 1 116 ? 59.323 31.829 -45.074 1.00 37.55 ? 134 PHE A CD2 1 +ATOM 842 C CE1 . PHE A 1 116 ? 58.796 30.962 -47.701 1.00 35.32 ? 134 PHE A CE1 1 +ATOM 843 C CE2 . PHE A 1 116 ? 58.379 32.524 -45.874 1.00 36.62 ? 134 PHE A CE2 1 +ATOM 844 C CZ . PHE A 1 116 ? 58.119 32.087 -47.193 1.00 35.43 ? 134 PHE A CZ 1 +ATOM 845 N N . GLY A 1 117 ? 61.355 27.123 -42.445 1.00 46.65 ? 135 GLY A N 1 +ATOM 846 C CA . GLY A 1 117 ? 62.381 26.284 -41.857 1.00 47.09 ? 135 GLY A CA 1 +ATOM 847 C C . GLY A 1 117 ? 62.595 24.921 -42.484 1.00 48.52 ? 135 GLY A C 1 +ATOM 848 O O . GLY A 1 117 ? 63.385 24.128 -41.972 1.00 49.41 ? 135 GLY A O 1 +ATOM 849 N N . MET A 1 118 ? 61.908 24.629 -43.580 1.00 49.68 ? 136 MET A N 1 +ATOM 850 C CA . MET A 1 118 ? 62.074 23.329 -44.221 1.00 52.48 ? 136 MET A CA 1 +ATOM 851 C C . MET A 1 118 ? 62.043 23.380 -45.745 1.00 52.71 ? 136 MET A C 1 +ATOM 852 O O . MET A 1 118 ? 61.391 22.562 -46.393 1.00 54.35 ? 136 MET A O 1 +ATOM 853 C CB . MET A 1 118 ? 61.032 22.329 -43.680 1.00 52.68 ? 136 MET A CB 1 +ATOM 854 C CG . MET A 1 118 ? 59.616 22.875 -43.562 1.00 55.83 ? 136 MET A CG 1 +ATOM 855 S SD . MET A 1 118 ? 58.553 21.801 -42.571 1.00 59.31 ? 136 MET A SD 1 +ATOM 856 C CE . MET A 1 118 ? 57.731 20.970 -43.820 1.00 57.36 ? 136 MET A CE 1 +ATOM 857 N N . GLY A 1 119 ? 62.761 24.346 -46.313 1.00 52.69 ? 137 GLY A N 1 +ATOM 858 C CA . GLY A 1 119 ? 62.823 24.462 -47.758 1.00 51.76 ? 137 GLY A CA 1 +ATOM 859 C C . GLY A 1 119 ? 62.142 25.666 -48.379 1.00 51.60 ? 137 GLY A C 1 +ATOM 860 O O . GLY A 1 119 ? 61.772 26.623 -47.694 1.00 49.79 ? 137 GLY A O 1 +ATOM 861 N N . LYS A 1 120 ? 61.978 25.594 -49.697 1.00 51.78 ? 138 LYS A N 1 +ATOM 862 C CA . LYS A 1 120 ? 61.364 26.651 -50.496 1.00 53.21 ? 138 LYS A CA 1 +ATOM 863 C C . LYS A 1 120 ? 59.868 26.836 -50.247 1.00 52.13 ? 138 LYS A C 1 +ATOM 864 O O . LYS A 1 120 ? 59.356 27.957 -50.319 1.00 53.03 ? 138 LYS A O 1 +ATOM 865 C CB . LYS A 1 120 ? 61.625 26.371 -51.980 1.00 55.83 ? 138 LYS A CB 1 +ATOM 866 C CG . LYS A 1 120 ? 63.101 26.518 -52.369 1.00 59.41 ? 138 LYS A CG 1 +ATOM 867 C CD . LYS A 1 120 ? 63.406 25.909 -53.733 1.00 60.98 ? 138 LYS A CD 1 +ATOM 868 C CE . LYS A 1 120 ? 64.682 26.510 -54.335 1.00 63.15 ? 138 LYS A CE 1 +ATOM 869 N NZ . LYS A 1 120 ? 65.889 26.375 -53.460 1.00 63.08 ? 138 LYS A NZ 1 +ATOM 870 N N . ARG A 1 121 ? 59.165 25.744 -49.961 1.00 49.16 ? 139 ARG A N 1 +ATOM 871 C CA . ARG A 1 121 ? 57.732 25.825 -49.693 1.00 46.57 ? 139 ARG A CA 1 +ATOM 872 C C . ARG A 1 121 ? 57.495 26.132 -48.215 1.00 43.20 ? 139 ARG A C 1 +ATOM 873 O O . ARG A 1 121 ? 57.903 25.368 -47.346 1.00 43.22 ? 139 ARG A O 1 +ATOM 874 C CB . ARG A 1 121 ? 57.033 24.515 -50.059 1.00 46.37 ? 139 ARG A CB 1 +ATOM 875 C CG . ARG A 1 121 ? 55.526 24.637 -50.013 1.00 46.60 ? 139 ARG A CG 1 +ATOM 876 C CD . ARG A 1 121 ? 54.820 23.326 -50.274 1.00 46.07 ? 139 ARG A CD 1 +ATOM 877 N NE . ARG A 1 121 ? 53.378 23.549 -50.310 1.00 45.04 ? 139 ARG A NE 1 +ATOM 878 C CZ . ARG A 1 121 ? 52.452 22.598 -50.346 1.00 44.42 ? 139 ARG A CZ 1 +ATOM 879 N NH1 . ARG A 1 121 ? 52.786 21.313 -50.351 1.00 43.74 ? 139 ARG A NH1 1 +ATOM 880 N NH2 . ARG A 1 121 ? 51.175 22.945 -50.377 1.00 46.08 ? 139 ARG A NH2 1 +ATOM 881 N N . SER A 1 122 ? 56.840 27.254 -47.942 1.00 40.47 ? 140 SER A N 1 +ATOM 882 C CA . SER A 1 122 ? 56.554 27.665 -46.569 1.00 39.72 ? 140 SER A CA 1 +ATOM 883 C C . SER A 1 122 ? 55.474 26.781 -45.946 1.00 38.00 ? 140 SER A C 1 +ATOM 884 O O . SER A 1 122 ? 54.749 26.080 -46.647 1.00 36.18 ? 140 SER A O 1 +ATOM 885 C CB . SER A 1 122 ? 56.077 29.111 -46.540 1.00 37.04 ? 140 SER A CB 1 +ATOM 886 O OG . SER A 1 122 ? 54.848 29.235 -47.234 1.00 39.17 ? 140 SER A OG 1 +ATOM 887 N N . ILE A 1 123 ? 55.378 26.820 -44.625 1.00 39.11 ? 141 ILE A N 1 +ATOM 888 C CA . ILE A 1 123 ? 54.366 26.043 -43.919 1.00 39.57 ? 141 ILE A CA 1 +ATOM 889 C C . ILE A 1 123 ? 53.006 26.691 -44.221 1.00 38.44 ? 141 ILE A C 1 +ATOM 890 O O . ILE A 1 123 ? 52.010 25.989 -44.419 1.00 37.07 ? 141 ILE A O 1 +ATOM 891 C CB . ILE A 1 123 ? 54.671 26.004 -42.385 1.00 39.01 ? 141 ILE A CB 1 +ATOM 892 C CG1 . ILE A 1 123 ? 55.880 25.088 -42.133 1.00 39.44 ? 141 ILE A CG1 1 +ATOM 893 C CG2 . ILE A 1 123 ? 53.464 25.513 -41.606 1.00 36.81 ? 141 ILE A CG2 1 +ATOM 894 C CD1 . ILE A 1 123 ? 56.406 25.101 -40.700 1.00 40.83 ? 141 ILE A CD1 1 +ATOM 895 N N . GLU A 1 124 ? 52.988 28.024 -44.282 1.00 37.02 ? 142 GLU A N 1 +ATOM 896 C CA . GLU A 1 124 ? 51.774 28.780 -44.589 1.00 39.94 ? 142 GLU A CA 1 +ATOM 897 C C . GLU A 1 124 ? 51.127 28.322 -45.899 1.00 40.92 ? 142 GLU A C 1 +ATOM 898 O O . GLU A 1 124 ? 49.903 28.186 -45.975 1.00 41.08 ? 142 GLU A O 1 +ATOM 899 C CB . GLU A 1 124 ? 52.064 30.291 -44.659 1.00 40.64 ? 142 GLU A CB 1 +ATOM 900 C CG . GLU A 1 124 ? 50.922 31.094 -45.301 1.00 45.19 ? 142 GLU A CG 1 +ATOM 901 C CD . GLU A 1 124 ? 50.813 32.529 -44.826 1.00 47.62 ? 142 GLU A CD 1 +ATOM 902 O OE1 . GLU A 1 124 ? 49.729 33.108 -45.019 1.00 49.86 ? 142 GLU A OE1 1 +ATOM 903 O OE2 . GLU A 1 124 ? 51.786 33.083 -44.269 1.00 51.89 ? 142 GLU A OE2 1 +ATOM 904 N N . ASP A 1 125 ? 51.945 28.077 -46.921 1.00 40.45 ? 143 ASP A N 1 +ATOM 905 C CA . ASP A 1 125 ? 51.425 27.632 -48.211 1.00 41.00 ? 143 ASP A CA 1 +ATOM 906 C C . ASP A 1 125 ? 50.748 26.265 -48.084 1.00 39.45 ? 143 ASP A C 1 +ATOM 907 O O . ASP A 1 125 ? 49.765 25.988 -48.768 1.00 38.84 ? 143 ASP A O 1 +ATOM 908 C CB . ASP A 1 125 ? 52.550 27.567 -49.253 1.00 42.98 ? 143 ASP A CB 1 +ATOM 909 C CG . ASP A 1 125 ? 52.030 27.288 -50.651 1.00 44.71 ? 143 ASP A CG 1 +ATOM 910 O OD1 . ASP A 1 125 ? 51.394 28.186 -51.252 1.00 46.66 ? 143 ASP A OD1 1 +ATOM 911 O OD2 . ASP A 1 125 ? 52.246 26.163 -51.146 1.00 46.73 ? 143 ASP A OD2 1 +ATOM 912 N N . ARG A 1 126 ? 51.286 25.413 -47.215 1.00 38.71 ? 144 ARG A N 1 +ATOM 913 C CA . ARG A 1 126 ? 50.718 24.083 -46.976 1.00 38.07 ? 144 ARG A CA 1 +ATOM 914 C C . ARG A 1 126 ? 49.354 24.227 -46.294 1.00 35.87 ? 144 ARG A C 1 +ATOM 915 O O . ARG A 1 126 ? 48.405 23.536 -46.646 1.00 36.62 ? 144 ARG A O 1 +ATOM 916 C CB . ARG A 1 126 ? 51.650 23.256 -46.080 1.00 37.96 ? 144 ARG A CB 1 +ATOM 917 C CG . ARG A 1 126 ? 53.050 23.070 -46.637 1.00 40.26 ? 144 ARG A CG 1 +ATOM 918 C CD . ARG A 1 126 ? 54.058 22.790 -45.537 1.00 39.71 ? 144 ARG A CD 1 +ATOM 919 N NE . ARG A 1 126 ? 55.423 23.120 -45.958 1.00 41.70 ? 144 ARG A NE 1 +ATOM 920 C CZ . ARG A 1 126 ? 56.305 22.255 -46.451 1.00 41.12 ? 144 ARG A CZ 1 +ATOM 921 N NH1 . ARG A 1 126 ? 55.999 20.972 -46.600 1.00 42.26 ? 144 ARG A NH1 1 +ATOM 922 N NH2 . ARG A 1 126 ? 57.512 22.677 -46.785 1.00 41.54 ? 144 ARG A NH2 1 +ATOM 923 N N . VAL A 1 127 ? 49.262 25.136 -45.326 1.00 34.54 ? 145 VAL A N 1 +ATOM 924 C CA . VAL A 1 127 ? 48.012 25.362 -44.605 1.00 35.28 ? 145 VAL A CA 1 +ATOM 925 C C . VAL A 1 127 ? 46.950 25.987 -45.520 1.00 35.85 ? 145 VAL A C 1 +ATOM 926 O O . VAL A 1 127 ? 45.766 25.661 -45.412 1.00 36.20 ? 145 VAL A O 1 +ATOM 927 C CB . VAL A 1 127 ? 48.248 26.244 -43.336 1.00 32.60 ? 145 VAL A CB 1 +ATOM 928 C CG1 . VAL A 1 127 ? 46.933 26.553 -42.638 1.00 34.85 ? 145 VAL A CG1 1 +ATOM 929 C CG2 . VAL A 1 127 ? 49.151 25.499 -42.355 1.00 33.76 ? 145 VAL A CG2 1 +ATOM 930 N N . GLN A 1 128 ? 47.376 26.870 -46.421 1.00 35.90 ? 146 GLN A N 1 +ATOM 931 C CA . GLN A 1 128 ? 46.464 27.515 -47.367 1.00 35.45 ? 146 GLN A CA 1 +ATOM 932 C C . GLN A 1 128 ? 45.903 26.488 -48.344 1.00 35.35 ? 146 GLN A C 1 +ATOM 933 O O . GLN A 1 128 ? 44.713 26.521 -48.652 1.00 36.51 ? 146 GLN A O 1 +ATOM 934 C CB . GLN A 1 128 ? 47.178 28.632 -48.137 1.00 35.26 ? 146 GLN A CB 1 +ATOM 935 C CG . GLN A 1 128 ? 47.540 29.849 -47.300 1.00 35.42 ? 146 GLN A CG 1 +ATOM 936 C CD . GLN A 1 128 ? 48.303 30.889 -48.100 1.00 38.95 ? 146 GLN A CD 1 +ATOM 937 O OE1 . GLN A 1 128 ? 49.327 30.584 -48.704 1.00 41.87 ? 146 GLN A OE1 1 +ATOM 938 N NE2 . GLN A 1 128 ? 47.809 32.119 -48.107 1.00 38.82 ? 146 GLN A NE2 1 +ATOM 939 N N . GLU A 1 129 ? 46.744 25.573 -48.831 1.00 35.42 ? 147 GLU A N 1 +ATOM 940 C CA . GLU A 1 129 ? 46.259 24.543 -49.747 1.00 37.11 ? 147 GLU A CA 1 +ATOM 941 C C . GLU A 1 129 ? 45.218 23.704 -49.012 1.00 39.13 ? 147 GLU A C 1 +ATOM 942 O O . GLU A 1 129 ? 44.185 23.332 -49.582 1.00 40.71 ? 147 GLU A O 1 +ATOM 943 C CB . GLU A 1 129 ? 47.387 23.608 -50.229 1.00 37.81 ? 147 GLU A CB 1 +ATOM 944 C CG . GLU A 1 129 ? 46.879 22.561 -51.248 1.00 41.56 ? 147 GLU A CG 1 +ATOM 945 C CD . GLU A 1 129 ? 47.881 21.464 -51.628 1.00 44.73 ? 147 GLU A CD 1 +ATOM 946 O OE1 . GLU A 1 129 ? 47.514 20.585 -52.445 1.00 46.22 ? 147 GLU A OE1 1 +ATOM 947 O OE2 . GLU A 1 129 ? 49.023 21.462 -51.129 1.00 46.82 ? 147 GLU A OE2 1 +ATOM 948 N N . GLU A 1 130 ? 45.499 23.410 -47.743 1.00 37.80 ? 148 GLU A N 1 +ATOM 949 C CA . GLU A 1 130 ? 44.596 22.595 -46.953 1.00 37.67 ? 148 GLU A CA 1 +ATOM 950 C C . GLU A 1 130 ? 43.284 23.321 -46.668 1.00 35.86 ? 148 GLU A C 1 +ATOM 951 O O . GLU A 1 130 ? 42.216 22.717 -46.720 1.00 34.62 ? 148 GLU A O 1 +ATOM 952 C CB . GLU A 1 130 ? 45.269 22.159 -45.648 1.00 36.12 ? 148 GLU A CB 1 +ATOM 953 C CG . GLU A 1 130 ? 44.597 20.958 -45.031 1.00 34.91 ? 148 GLU A CG 1 +ATOM 954 C CD . GLU A 1 130 ? 44.637 19.749 -45.941 1.00 36.34 ? 148 GLU A CD 1 +ATOM 955 O OE1 . GLU A 1 130 ? 43.613 19.057 -46.048 1.00 36.52 ? 148 GLU A OE1 1 +ATOM 956 O OE2 . GLU A 1 130 ? 45.696 19.478 -46.546 1.00 37.81 ? 148 GLU A OE2 1 +ATOM 957 N N . ALA A 1 131 ? 43.364 24.616 -46.388 1.00 36.42 ? 149 ALA A N 1 +ATOM 958 C CA . ALA A 1 131 ? 42.170 25.411 -46.128 1.00 39.29 ? 149 ALA A CA 1 +ATOM 959 C C . ALA A 1 131 ? 41.265 25.362 -47.364 1.00 42.04 ? 149 ALA A C 1 +ATOM 960 O O . ALA A 1 131 ? 40.038 25.336 -47.249 1.00 41.59 ? 149 ALA A O 1 +ATOM 961 C CB . ALA A 1 131 ? 42.557 26.845 -45.816 1.00 36.32 ? 149 ALA A CB 1 +ATOM 962 N N . HIS A 1 132 ? 41.888 25.319 -48.540 1.00 43.38 ? 150 HIS A N 1 +ATOM 963 C CA . HIS A 1 132 ? 41.169 25.274 -49.807 1.00 45.75 ? 150 HIS A CA 1 +ATOM 964 C C . HIS A 1 132 ? 40.478 23.925 -49.990 1.00 43.96 ? 150 HIS A C 1 +ATOM 965 O O . HIS A 1 132 ? 39.317 23.870 -50.377 1.00 42.98 ? 150 HIS A O 1 +ATOM 966 C CB . HIS A 1 132 ? 42.143 25.561 -50.962 1.00 47.86 ? 150 HIS A CB 1 +ATOM 967 C CG . HIS A 1 132 ? 41.496 25.601 -52.310 1.00 52.30 ? 150 HIS A CG 1 +ATOM 968 N ND1 . HIS A 1 132 ? 41.335 24.476 -53.092 1.00 54.07 ? 150 HIS A ND1 1 +ATOM 969 C CD2 . HIS A 1 132 ? 40.955 26.626 -53.010 1.00 53.89 ? 150 HIS A CD2 1 +ATOM 970 C CE1 . HIS A 1 132 ? 40.723 24.807 -54.215 1.00 54.78 ? 150 HIS A CE1 1 +ATOM 971 N NE2 . HIS A 1 132 ? 40.480 26.106 -54.190 1.00 55.47 ? 150 HIS A NE2 1 +ATOM 972 N N . CYS A 1 133 ? 41.191 22.839 -49.711 1.00 44.89 ? 151 CYS A N 1 +ATOM 973 C CA . CYS A 1 133 ? 40.612 21.504 -49.832 1.00 44.00 ? 151 CYS A CA 1 +ATOM 974 C C . CYS A 1 133 ? 39.473 21.321 -48.825 1.00 43.55 ? 151 CYS A C 1 +ATOM 975 O O . CYS A 1 133 ? 38.500 20.613 -49.100 1.00 42.90 ? 151 CYS A O 1 +ATOM 976 C CB . CYS A 1 133 ? 41.682 20.437 -49.605 1.00 45.13 ? 151 CYS A CB 1 +ATOM 977 S SG . CYS A 1 133 ? 42.990 20.426 -50.859 1.00 49.38 ? 151 CYS A SG 1 +ATOM 978 N N . LEU A 1 134 ? 39.597 21.977 -47.671 1.00 42.67 ? 152 LEU A N 1 +ATOM 979 C CA . LEU A 1 134 ? 38.588 21.899 -46.621 1.00 43.22 ? 152 LEU A CA 1 +ATOM 980 C C . LEU A 1 134 ? 37.279 22.537 -47.067 1.00 43.64 ? 152 LEU A C 1 +ATOM 981 O O . LEU A 1 134 ? 36.220 21.918 -46.933 1.00 44.18 ? 152 LEU A O 1 +ATOM 982 C CB . LEU A 1 134 ? 39.093 22.567 -45.327 1.00 41.21 ? 152 LEU A CB 1 +ATOM 983 C CG . LEU A 1 134 ? 38.121 22.720 -44.146 1.00 38.70 ? 152 LEU A CG 1 +ATOM 984 C CD1 . LEU A 1 134 ? 37.578 21.372 -43.726 1.00 37.55 ? 152 LEU A CD1 1 +ATOM 985 C CD2 . LEU A 1 134 ? 38.831 23.383 -42.985 1.00 37.61 ? 152 LEU A CD2 1 +ATOM 986 N N . VAL A 1 135 ? 37.342 23.758 -47.600 1.00 45.07 ? 153 VAL A N 1 +ATOM 987 C CA . VAL A 1 135 ? 36.127 24.429 -48.067 1.00 47.20 ? 153 VAL A CA 1 +ATOM 988 C C . VAL A 1 135 ? 35.463 23.634 -49.192 1.00 47.44 ? 153 VAL A C 1 +ATOM 989 O O . VAL A 1 135 ? 34.245 23.676 -49.339 1.00 49.00 ? 153 VAL A O 1 +ATOM 990 C CB . VAL A 1 135 ? 36.376 25.905 -48.544 1.00 47.82 ? 153 VAL A CB 1 +ATOM 991 C CG1 . VAL A 1 135 ? 36.891 26.749 -47.395 1.00 47.48 ? 153 VAL A CG1 1 +ATOM 992 C CG2 . VAL A 1 135 ? 37.341 25.950 -49.704 1.00 51.18 ? 153 VAL A CG2 1 +ATOM 993 N N . GLU A 1 136 ? 36.257 22.896 -49.967 1.00 48.45 ? 154 GLU A N 1 +ATOM 994 C CA . GLU A 1 136 ? 35.710 22.087 -51.053 1.00 49.24 ? 154 GLU A CA 1 +ATOM 995 C C . GLU A 1 136 ? 34.968 20.865 -50.535 1.00 48.54 ? 154 GLU A C 1 +ATOM 996 O O . GLU A 1 136 ? 33.987 20.444 -51.142 1.00 49.13 ? 154 GLU A O 1 +ATOM 997 C CB . GLU A 1 136 ? 36.803 21.667 -52.042 1.00 50.69 ? 154 GLU A CB 1 +ATOM 998 C CG . GLU A 1 136 ? 37.322 22.821 -52.901 1.00 53.35 ? 154 GLU A CG 1 +ATOM 999 C CD . GLU A 1 136 ? 36.200 23.619 -53.562 1.00 55.49 ? 154 GLU A CD 1 +ATOM 1000 O OE1 . GLU A 1 136 ? 35.488 23.062 -54.430 1.00 56.41 ? 154 GLU A OE1 1 +ATOM 1001 O OE2 . GLU A 1 136 ? 36.027 24.806 -53.204 1.00 55.38 ? 154 GLU A OE2 1 +ATOM 1002 N N . GLU A 1 137 ? 35.429 20.292 -49.423 1.00 48.40 ? 155 GLU A N 1 +ATOM 1003 C CA . GLU A 1 137 ? 34.739 19.148 -48.829 1.00 48.08 ? 155 GLU A CA 1 +ATOM 1004 C C . GLU A 1 137 ? 33.421 19.620 -48.234 1.00 47.36 ? 155 GLU A C 1 +ATOM 1005 O O . GLU A 1 137 ? 32.411 18.924 -48.324 1.00 47.31 ? 155 GLU A O 1 +ATOM 1006 C CB . GLU A 1 137 ? 35.564 18.507 -47.717 1.00 49.44 ? 155 GLU A CB 1 +ATOM 1007 C CG . GLU A 1 137 ? 36.387 17.335 -48.162 1.00 52.13 ? 155 GLU A CG 1 +ATOM 1008 C CD . GLU A 1 137 ? 35.566 16.185 -48.697 1.00 53.85 ? 155 GLU A CD 1 +ATOM 1009 O OE1 . GLU A 1 137 ? 34.762 15.612 -47.931 1.00 54.92 ? 155 GLU A OE1 1 +ATOM 1010 O OE2 . GLU A 1 137 ? 35.734 15.854 -49.889 1.00 56.24 ? 155 GLU A OE2 1 +ATOM 1011 N N . LEU A 1 138 ? 33.445 20.806 -47.625 1.00 46.27 ? 156 LEU A N 1 +ATOM 1012 C CA . LEU A 1 138 ? 32.257 21.394 -47.015 1.00 47.03 ? 156 LEU A CA 1 +ATOM 1013 C C . LEU A 1 138 ? 31.198 21.712 -48.068 1.00 48.58 ? 156 LEU A C 1 +ATOM 1014 O O . LEU A 1 138 ? 30.006 21.650 -47.782 1.00 49.47 ? 156 LEU A O 1 +ATOM 1015 C CB . LEU A 1 138 ? 32.621 22.666 -46.236 1.00 43.61 ? 156 LEU A CB 1 +ATOM 1016 C CG . LEU A 1 138 ? 33.555 22.523 -45.024 1.00 42.88 ? 156 LEU A CG 1 +ATOM 1017 C CD1 . LEU A 1 138 ? 33.940 23.902 -44.509 1.00 41.40 ? 156 LEU A CD1 1 +ATOM 1018 C CD2 . LEU A 1 138 ? 32.884 21.710 -43.932 1.00 40.70 ? 156 LEU A CD2 1 +ATOM 1019 N N . ARG A 1 139 ? 31.634 22.049 -49.282 1.00 50.00 ? 157 ARG A N 1 +ATOM 1020 C CA . ARG A 1 139 ? 30.704 22.346 -50.369 1.00 51.72 ? 157 ARG A CA 1 +ATOM 1021 C C . ARG A 1 139 ? 29.956 21.087 -50.781 1.00 51.86 ? 157 ARG A C 1 +ATOM 1022 O O . ARG A 1 139 ? 28.817 21.161 -51.241 1.00 51.48 ? 157 ARG A O 1 +ATOM 1023 C CB . ARG A 1 139 ? 31.442 22.935 -51.578 1.00 52.30 ? 157 ARG A CB 1 +ATOM 1024 C CG . ARG A 1 139 ? 31.707 24.417 -51.422 1.00 54.76 ? 157 ARG A CG 1 +ATOM 1025 C CD . ARG A 1 139 ? 32.408 25.070 -52.605 1.00 54.98 ? 157 ARG A CD 1 +ATOM 1026 N NE . ARG A 1 139 ? 32.659 26.476 -52.291 1.00 56.63 ? 157 ARG A NE 1 +ATOM 1027 C CZ . ARG A 1 139 ? 33.458 27.289 -52.976 1.00 59.24 ? 157 ARG A CZ 1 +ATOM 1028 N NH1 . ARG A 1 139 ? 34.114 26.861 -54.051 1.00 61.57 ? 157 ARG A NH1 1 +ATOM 1029 N NH2 . ARG A 1 139 ? 33.617 28.539 -52.568 1.00 58.58 ? 157 ARG A NH2 1 +ATOM 1030 N N . LYS A 1 140 ? 30.599 19.936 -50.592 1.00 52.13 ? 158 LYS A N 1 +ATOM 1031 C CA . LYS A 1 140 ? 30.006 18.649 -50.932 1.00 53.16 ? 158 LYS A CA 1 +ATOM 1032 C C . LYS A 1 140 ? 28.885 18.238 -49.970 1.00 53.32 ? 158 LYS A C 1 +ATOM 1033 O O . LYS A 1 140 ? 28.154 17.282 -50.246 1.00 53.27 ? 158 LYS A O 1 +ATOM 1034 C CB . LYS A 1 140 ? 31.089 17.565 -50.974 1.00 54.63 ? 158 LYS A CB 1 +ATOM 1035 C CG . LYS A 1 140 ? 32.147 17.793 -52.049 1.00 57.65 ? 158 LYS A CG 1 +ATOM 1036 C CD . LYS A 1 140 ? 33.182 16.676 -52.085 1.00 60.28 ? 158 LYS A CD 1 +ATOM 1037 C CE . LYS A 1 140 ? 34.240 16.948 -53.150 1.00 62.18 ? 158 LYS A CE 1 +ATOM 1038 N NZ . LYS A 1 140 ? 35.294 15.891 -53.188 1.00 63.94 ? 158 LYS A NZ 1 +ATOM 1039 N N . THR A 1 141 ? 28.746 18.951 -48.848 1.00 52.36 ? 159 THR A N 1 +ATOM 1040 C CA . THR A 1 141 ? 27.680 18.642 -47.888 1.00 51.82 ? 159 THR A CA 1 +ATOM 1041 C C . THR A 1 141 ? 26.361 19.207 -48.421 1.00 52.69 ? 159 THR A C 1 +ATOM 1042 O O . THR A 1 141 ? 25.287 18.915 -47.891 1.00 51.51 ? 159 THR A O 1 +ATOM 1043 C CB . THR A 1 141 ? 27.945 19.234 -46.471 1.00 50.92 ? 159 THR A CB 1 +ATOM 1044 O OG1 . THR A 1 141 ? 27.867 20.661 -46.512 1.00 48.05 ? 159 THR A OG1 1 +ATOM 1045 C CG2 . THR A 1 141 ? 29.307 18.803 -45.949 1.00 50.75 ? 159 THR A CG2 1 +ATOM 1046 N N . LYS A 1 142 ? 26.470 20.024 -49.471 1.00 53.59 ? 160 LYS A N 1 +ATOM 1047 C CA . LYS A 1 142 ? 25.334 20.637 -50.153 1.00 54.79 ? 160 LYS A CA 1 +ATOM 1048 C C . LYS A 1 142 ? 24.416 21.430 -49.234 1.00 54.00 ? 160 LYS A C 1 +ATOM 1049 O O . LYS A 1 142 ? 23.193 21.423 -49.406 1.00 54.93 ? 160 LYS A O 1 +ATOM 1050 C CB . LYS A 1 142 ? 24.534 19.558 -50.902 1.00 56.65 ? 160 LYS A CB 1 +ATOM 1051 C CG . LYS A 1 142 ? 25.357 18.769 -51.917 1.00 59.59 ? 160 LYS A CG 1 +ATOM 1052 C CD . LYS A 1 142 ? 24.591 17.566 -52.446 1.00 62.93 ? 160 LYS A CD 1 +ATOM 1053 C CE . LYS A 1 142 ? 25.481 16.675 -53.305 1.00 65.86 ? 160 LYS A CE 1 +ATOM 1054 N NZ . LYS A 1 142 ? 24.807 15.387 -53.670 1.00 69.03 ? 160 LYS A NZ 1 +ATOM 1055 N N . ALA A 1 143 ? 25.019 22.107 -48.259 1.00 52.53 ? 161 ALA A N 1 +ATOM 1056 C CA . ALA A 1 143 ? 24.303 22.940 -47.294 1.00 51.36 ? 161 ALA A CA 1 +ATOM 1057 C C . ALA A 1 143 ? 23.320 22.182 -46.398 1.00 50.96 ? 161 ALA A C 1 +ATOM 1058 O O . ALA A 1 143 ? 22.479 22.793 -45.740 1.00 51.67 ? 161 ALA A O 1 +ATOM 1059 C CB . ALA A 1 143 ? 23.577 24.082 -48.027 1.00 50.12 ? 161 ALA A CB 1 +ATOM 1060 N N . SER A 1 144 ? 23.431 20.858 -46.365 1.00 50.43 ? 162 SER A N 1 +ATOM 1061 C CA . SER A 1 144 ? 22.548 20.044 -45.536 1.00 50.75 ? 162 SER A CA 1 +ATOM 1062 C C . SER A 1 144 ? 23.176 19.870 -44.145 1.00 49.69 ? 162 SER A C 1 +ATOM 1063 O O . SER A 1 144 ? 24.396 19.951 -43.998 1.00 47.33 ? 162 SER A O 1 +ATOM 1064 C CB . SER A 1 144 ? 22.318 18.676 -46.190 1.00 51.38 ? 162 SER A CB 1 +ATOM 1065 O OG . SER A 1 144 ? 23.481 17.870 -46.125 1.00 53.44 ? 162 SER A OG 1 +ATOM 1066 N N . PRO A 1 145 ? 22.350 19.629 -43.107 1.00 49.58 ? 163 PRO A N 1 +ATOM 1067 C CA . PRO A 1 145 ? 22.902 19.458 -41.758 1.00 48.09 ? 163 PRO A CA 1 +ATOM 1068 C C . PRO A 1 145 ? 23.912 18.325 -41.639 1.00 47.84 ? 163 PRO A C 1 +ATOM 1069 O O . PRO A 1 145 ? 23.705 17.231 -42.172 1.00 47.42 ? 163 PRO A O 1 +ATOM 1070 C CB . PRO A 1 145 ? 21.659 19.225 -40.902 1.00 48.81 ? 163 PRO A CB 1 +ATOM 1071 C CG . PRO A 1 145 ? 20.698 18.583 -41.866 1.00 49.92 ? 163 PRO A CG 1 +ATOM 1072 C CD . PRO A 1 145 ? 20.889 19.421 -43.100 1.00 49.20 ? 163 PRO A CD 1 +ATOM 1073 N N . CYS A 1 146 ? 25.017 18.600 -40.951 1.00 47.16 ? 164 CYS A N 1 +ATOM 1074 C CA . CYS A 1 146 ? 26.050 17.592 -40.750 1.00 45.68 ? 164 CYS A CA 1 +ATOM 1075 C C . CYS A 1 146 ? 26.803 17.796 -39.443 1.00 43.49 ? 164 CYS A C 1 +ATOM 1076 O O . CYS A 1 146 ? 26.765 18.871 -38.842 1.00 42.81 ? 164 CYS A O 1 +ATOM 1077 C CB . CYS A 1 146 ? 27.053 17.617 -41.911 1.00 47.73 ? 164 CYS A CB 1 +ATOM 1078 S SG . CYS A 1 146 ? 28.184 19.049 -41.913 1.00 49.67 ? 164 CYS A SG 1 +ATOM 1079 N N . ASP A 1 147 ? 27.471 16.737 -39.003 1.00 42.30 ? 165 ASP A N 1 +ATOM 1080 C CA . ASP A 1 147 ? 28.294 16.790 -37.809 1.00 40.88 ? 165 ASP A CA 1 +ATOM 1081 C C . ASP A 1 147 ? 29.662 17.086 -38.431 1.00 38.60 ? 165 ASP A C 1 +ATOM 1082 O O . ASP A 1 147 ? 30.224 16.240 -39.140 1.00 37.57 ? 165 ASP A O 1 +ATOM 1083 C CB . ASP A 1 147 ? 28.284 15.434 -37.092 1.00 43.81 ? 165 ASP A CB 1 +ATOM 1084 C CG . ASP A 1 147 ? 29.082 15.446 -35.801 1.00 46.29 ? 165 ASP A CG 1 +ATOM 1085 O OD1 . ASP A 1 147 ? 28.913 14.512 -34.987 1.00 47.68 ? 165 ASP A OD1 1 +ATOM 1086 O OD2 . ASP A 1 147 ? 29.887 16.378 -35.600 1.00 47.77 ? 165 ASP A OD2 1 +ATOM 1087 N N . PRO A 1 148 ? 30.204 18.299 -38.199 1.00 36.56 ? 166 PRO A N 1 +ATOM 1088 C CA . PRO A 1 148 ? 31.505 18.660 -38.773 1.00 35.56 ? 166 PRO A CA 1 +ATOM 1089 C C . PRO A 1 148 ? 32.743 18.027 -38.142 1.00 34.87 ? 166 PRO A C 1 +ATOM 1090 O O . PRO A 1 148 ? 33.856 18.259 -38.624 1.00 34.36 ? 166 PRO A O 1 +ATOM 1091 C CB . PRO A 1 148 ? 31.515 20.178 -38.646 1.00 34.53 ? 166 PRO A CB 1 +ATOM 1092 C CG . PRO A 1 148 ? 30.823 20.381 -37.335 1.00 34.56 ? 166 PRO A CG 1 +ATOM 1093 C CD . PRO A 1 148 ? 29.647 19.430 -37.430 1.00 33.78 ? 166 PRO A CD 1 +ATOM 1094 N N . THR A 1 149 ? 32.549 17.234 -37.086 1.00 34.39 ? 167 THR A N 1 +ATOM 1095 C CA . THR A 1 149 ? 33.653 16.593 -36.368 1.00 35.58 ? 167 THR A CA 1 +ATOM 1096 C C . THR A 1 149 ? 34.702 15.955 -37.277 1.00 38.04 ? 167 THR A C 1 +ATOM 1097 O O . THR A 1 149 ? 35.891 16.278 -37.172 1.00 38.56 ? 167 THR A O 1 +ATOM 1098 C CB . THR A 1 149 ? 33.143 15.497 -35.378 1.00 33.91 ? 167 THR A CB 1 +ATOM 1099 O OG1 . THR A 1 149 ? 32.320 16.096 -34.380 1.00 33.88 ? 167 THR A OG1 1 +ATOM 1100 C CG2 . THR A 1 149 ? 34.314 14.801 -34.677 1.00 33.28 ? 167 THR A CG2 1 +ATOM 1101 N N . PHE A 1 150 ? 34.256 15.064 -38.163 1.00 38.52 ? 168 PHE A N 1 +ATOM 1102 C CA . PHE A 1 150 ? 35.151 14.351 -39.064 1.00 41.39 ? 168 PHE A CA 1 +ATOM 1103 C C . PHE A 1 150 ? 35.885 15.227 -40.078 1.00 42.35 ? 168 PHE A C 1 +ATOM 1104 O O . PHE A 1 150 ? 37.102 15.129 -40.212 1.00 42.08 ? 168 PHE A O 1 +ATOM 1105 C CB . PHE A 1 150 ? 34.387 13.244 -39.810 1.00 42.70 ? 168 PHE A CB 1 +ATOM 1106 C CG . PHE A 1 150 ? 35.260 12.406 -40.712 1.00 45.24 ? 168 PHE A CG 1 +ATOM 1107 C CD1 . PHE A 1 150 ? 36.162 11.476 -40.171 1.00 47.82 ? 168 PHE A CD1 1 +ATOM 1108 C CD2 . PHE A 1 150 ? 35.218 12.578 -42.104 1.00 47.54 ? 168 PHE A CD2 1 +ATOM 1109 C CE1 . PHE A 1 150 ? 37.023 10.722 -41.008 1.00 49.15 ? 168 PHE A CE1 1 +ATOM 1110 C CE2 . PHE A 1 150 ? 36.069 11.835 -42.958 1.00 48.68 ? 168 PHE A CE2 1 +ATOM 1111 C CZ . PHE A 1 150 ? 36.975 10.904 -42.406 1.00 49.70 ? 168 PHE A CZ 1 +ATOM 1112 N N . ILE A 1 151 ? 35.142 16.057 -40.803 1.00 43.56 ? 169 ILE A N 1 +ATOM 1113 C CA . ILE A 1 151 ? 35.726 16.928 -41.820 1.00 46.38 ? 169 ILE A CA 1 +ATOM 1114 C C . ILE A 1 151 ? 36.731 17.909 -41.201 1.00 47.48 ? 169 ILE A C 1 +ATOM 1115 O O . ILE A 1 151 ? 37.784 18.182 -41.783 1.00 47.40 ? 169 ILE A O 1 +ATOM 1116 C CB . ILE A 1 151 ? 34.597 17.678 -42.595 1.00 47.16 ? 169 ILE A CB 1 +ATOM 1117 C CG1 . ILE A 1 151 ? 33.766 16.656 -43.392 1.00 48.99 ? 169 ILE A CG1 1 +ATOM 1118 C CG2 . ILE A 1 151 ? 35.187 18.713 -43.554 1.00 49.14 ? 169 ILE A CG2 1 +ATOM 1119 C CD1 . ILE A 1 151 ? 32.438 17.179 -43.953 1.00 47.38 ? 169 ILE A CD1 1 +ATOM 1120 N N . LEU A 1 152 ? 36.406 18.403 -40.008 1.00 47.64 ? 170 LEU A N 1 +ATOM 1121 C CA . LEU A 1 152 ? 37.250 19.341 -39.274 1.00 46.29 ? 170 LEU A CA 1 +ATOM 1122 C C . LEU A 1 152 ? 38.473 18.672 -38.654 1.00 46.08 ? 170 LEU A C 1 +ATOM 1123 O O . LEU A 1 152 ? 39.415 19.346 -38.244 1.00 47.84 ? 170 LEU A O 1 +ATOM 1124 C CB . LEU A 1 152 ? 36.427 20.019 -38.179 1.00 45.61 ? 170 LEU A CB 1 +ATOM 1125 C CG . LEU A 1 152 ? 35.990 21.481 -38.320 1.00 46.58 ? 170 LEU A CG 1 +ATOM 1126 C CD1 . LEU A 1 152 ? 35.532 21.807 -39.727 1.00 45.33 ? 170 LEU A CD1 1 +ATOM 1127 C CD2 . LEU A 1 152 ? 34.875 21.740 -37.311 1.00 46.47 ? 170 LEU A CD2 1 +ATOM 1128 N N . GLY A 1 153 ? 38.451 17.349 -38.570 1.00 44.76 ? 171 GLY A N 1 +ATOM 1129 C CA . GLY A 1 153 ? 39.579 16.635 -38.006 1.00 42.20 ? 171 GLY A CA 1 +ATOM 1130 C C . GLY A 1 153 ? 40.567 16.261 -39.092 1.00 41.61 ? 171 GLY A C 1 +ATOM 1131 O O . GLY A 1 153 ? 41.760 16.098 -38.829 1.00 40.70 ? 171 GLY A O 1 +ATOM 1132 N N . CYS A 1 154 ? 40.061 16.137 -40.318 1.00 41.59 ? 172 CYS A N 1 +ATOM 1133 C CA . CYS A 1 154 ? 40.874 15.775 -41.473 1.00 41.66 ? 172 CYS A CA 1 +ATOM 1134 C C . CYS A 1 154 ? 41.889 16.844 -41.842 1.00 39.19 ? 172 CYS A C 1 +ATOM 1135 O O . CYS A 1 154 ? 43.015 16.526 -42.218 1.00 38.18 ? 172 CYS A O 1 +ATOM 1136 C CB . CYS A 1 154 ? 39.979 15.510 -42.689 1.00 44.31 ? 172 CYS A CB 1 +ATOM 1137 S SG . CYS A 1 154 ? 39.041 13.977 -42.626 1.00 49.48 ? 172 CYS A SG 1 +ATOM 1138 N N . ALA A 1 155 ? 41.486 18.106 -41.729 1.00 37.17 ? 173 ALA A N 1 +ATOM 1139 C CA . ALA A 1 155 ? 42.349 19.220 -42.088 1.00 35.87 ? 173 ALA A CA 1 +ATOM 1140 C C . ALA A 1 155 ? 43.627 19.360 -41.240 1.00 35.99 ? 173 ALA A C 1 +ATOM 1141 O O . ALA A 1 155 ? 44.721 19.336 -41.800 1.00 36.56 ? 173 ALA A O 1 +ATOM 1142 C CB . ALA A 1 155 ? 41.544 20.520 -42.092 1.00 33.89 ? 173 ALA A CB 1 +ATOM 1143 N N . PRO A 1 156 ? 43.519 19.494 -39.896 1.00 35.62 ? 174 PRO A N 1 +ATOM 1144 C CA . PRO A 1 156 ? 44.743 19.627 -39.086 1.00 34.84 ? 174 PRO A CA 1 +ATOM 1145 C C . PRO A 1 156 ? 45.667 18.423 -39.200 1.00 35.08 ? 174 PRO A C 1 +ATOM 1146 O O . PRO A 1 156 ? 46.892 18.562 -39.136 1.00 35.11 ? 174 PRO A O 1 +ATOM 1147 C CB . PRO A 1 156 ? 44.208 19.795 -37.665 1.00 35.10 ? 174 PRO A CB 1 +ATOM 1148 C CG . PRO A 1 156 ? 42.882 20.461 -37.885 1.00 36.76 ? 174 PRO A CG 1 +ATOM 1149 C CD . PRO A 1 156 ? 42.330 19.667 -39.039 1.00 36.31 ? 174 PRO A CD 1 +ATOM 1150 N N . CYS A 1 157 ? 45.074 17.244 -39.364 1.00 33.51 ? 175 CYS A N 1 +ATOM 1151 C CA . CYS A 1 157 ? 45.839 16.014 -39.491 1.00 35.30 ? 175 CYS A CA 1 +ATOM 1152 C C . CYS A 1 157 ? 46.627 16.050 -40.797 1.00 34.98 ? 175 CYS A C 1 +ATOM 1153 O O . CYS A 1 157 ? 47.800 15.682 -40.836 1.00 36.34 ? 175 CYS A O 1 +ATOM 1154 C CB . CYS A 1 157 ? 44.897 14.810 -39.474 1.00 33.93 ? 175 CYS A CB 1 +ATOM 1155 S SG . CYS A 1 157 ? 45.730 13.226 -39.605 1.00 41.25 ? 175 CYS A SG 1 +ATOM 1156 N N . ASN A 1 158 ? 45.974 16.508 -41.861 1.00 36.39 ? 176 ASN A N 1 +ATOM 1157 C CA . ASN A 1 158 ? 46.607 16.606 -43.170 1.00 36.74 ? 176 ASN A CA 1 +ATOM 1158 C C . ASN A 1 158 ? 47.685 17.678 -43.171 1.00 35.32 ? 176 ASN A C 1 +ATOM 1159 O O . ASN A 1 158 ? 48.655 17.572 -43.917 1.00 37.46 ? 176 ASN A O 1 +ATOM 1160 C CB . ASN A 1 158 ? 45.565 16.901 -44.249 1.00 37.46 ? 176 ASN A CB 1 +ATOM 1161 C CG . ASN A 1 158 ? 45.652 15.933 -45.424 1.00 38.58 ? 176 ASN A CG 1 +ATOM 1162 O OD1 . ASN A 1 158 ? 46.456 14.998 -45.426 1.00 39.42 ? 176 ASN A OD1 1 +ATOM 1163 N ND2 . ASN A 1 158 ? 44.818 16.152 -46.425 1.00 39.93 ? 176 ASN A ND2 1 +ATOM 1164 N N . VAL A 1 159 ? 47.520 18.704 -42.337 1.00 35.65 ? 177 VAL A N 1 +ATOM 1165 C CA . VAL A 1 159 ? 48.520 19.767 -42.229 1.00 35.78 ? 177 VAL A CA 1 +ATOM 1166 C C . VAL A 1 159 ? 49.802 19.134 -41.706 1.00 37.20 ? 177 VAL A C 1 +ATOM 1167 O O . VAL A 1 159 ? 50.869 19.334 -42.278 1.00 38.95 ? 177 VAL A O 1 +ATOM 1168 C CB . VAL A 1 159 ? 48.083 20.890 -41.255 1.00 34.84 ? 177 VAL A CB 1 +ATOM 1169 C CG1 . VAL A 1 159 ? 49.257 21.832 -40.961 1.00 32.59 ? 177 VAL A CG1 1 +ATOM 1170 C CG2 . VAL A 1 159 ? 46.952 21.685 -41.863 1.00 34.51 ? 177 VAL A CG2 1 +ATOM 1171 N N . ILE A 1 160 ? 49.694 18.358 -40.628 1.00 36.86 ? 178 ILE A N 1 +ATOM 1172 C CA . ILE A 1 160 ? 50.864 17.692 -40.062 1.00 36.71 ? 178 ILE A CA 1 +ATOM 1173 C C . ILE A 1 160 ? 51.455 16.750 -41.115 1.00 36.65 ? 178 ILE A C 1 +ATOM 1174 O O . ILE A 1 160 ? 52.672 16.651 -41.236 1.00 35.92 ? 178 ILE A O 1 +ATOM 1175 C CB . ILE A 1 160 ? 50.510 16.888 -38.770 1.00 35.68 ? 178 ILE A CB 1 +ATOM 1176 C CG1 . ILE A 1 160 ? 49.978 17.832 -37.683 1.00 35.61 ? 178 ILE A CG1 1 +ATOM 1177 C CG2 . ILE A 1 160 ? 51.744 16.121 -38.261 1.00 35.11 ? 178 ILE A CG2 1 +ATOM 1178 C CD1 . ILE A 1 160 ? 50.984 18.862 -37.136 1.00 35.31 ? 178 ILE A CD1 1 +ATOM 1179 N N . CYS A 1 161 ? 50.596 16.073 -41.876 1.00 37.81 ? 179 CYS A N 1 +ATOM 1180 C CA . CYS A 1 161 ? 51.063 15.166 -42.926 1.00 39.80 ? 179 CYS A CA 1 +ATOM 1181 C C . CYS A 1 161 ? 51.902 15.908 -43.974 1.00 41.50 ? 179 CYS A C 1 +ATOM 1182 O O . CYS A 1 161 ? 52.938 15.408 -44.406 1.00 39.30 ? 179 CYS A O 1 +ATOM 1183 C CB . CYS A 1 161 ? 49.883 14.484 -43.629 1.00 41.17 ? 179 CYS A CB 1 +ATOM 1184 S SG . CYS A 1 161 ? 49.048 13.172 -42.692 1.00 43.26 ? 179 CYS A SG 1 +ATOM 1185 N N . SER A 1 162 ? 51.465 17.105 -44.368 1.00 42.40 ? 180 SER A N 1 +ATOM 1186 C CA . SER A 1 162 ? 52.191 17.880 -45.373 1.00 43.82 ? 180 SER A CA 1 +ATOM 1187 C C . SER A 1 162 ? 53.451 18.507 -44.785 1.00 44.05 ? 180 SER A C 1 +ATOM 1188 O O . SER A 1 162 ? 54.374 18.866 -45.519 1.00 46.12 ? 180 SER A O 1 +ATOM 1189 C CB . SER A 1 162 ? 51.297 18.974 -45.973 1.00 43.96 ? 180 SER A CB 1 +ATOM 1190 O OG . SER A 1 162 ? 51.152 20.072 -45.090 1.00 47.75 ? 180 SER A OG 1 +ATOM 1191 N N . VAL A 1 163 ? 53.486 18.628 -43.460 1.00 43.09 ? 181 VAL A N 1 +ATOM 1192 C CA . VAL A 1 163 ? 54.629 19.196 -42.764 1.00 40.57 ? 181 VAL A CA 1 +ATOM 1193 C C . VAL A 1 163 ? 55.729 18.158 -42.533 1.00 41.25 ? 181 VAL A C 1 +ATOM 1194 O O . VAL A 1 163 ? 56.904 18.509 -42.495 1.00 39.69 ? 181 VAL A O 1 +ATOM 1195 C CB . VAL A 1 163 ? 54.188 19.830 -41.411 1.00 40.55 ? 181 VAL A CB 1 +ATOM 1196 C CG1 . VAL A 1 163 ? 55.388 20.156 -40.535 1.00 41.37 ? 181 VAL A CG1 1 +ATOM 1197 C CG2 . VAL A 1 163 ? 53.434 21.115 -41.680 1.00 38.57 ? 181 VAL A CG2 1 +ATOM 1198 N N . VAL A 1 164 ? 55.361 16.886 -42.395 1.00 41.18 ? 182 VAL A N 1 +ATOM 1199 C CA . VAL A 1 164 ? 56.358 15.842 -42.158 1.00 42.38 ? 182 VAL A CA 1 +ATOM 1200 C C . VAL A 1 164 ? 56.619 14.922 -43.351 1.00 43.05 ? 182 VAL A C 1 +ATOM 1201 O O . VAL A 1 164 ? 57.713 14.384 -43.487 1.00 42.39 ? 182 VAL A O 1 +ATOM 1202 C CB . VAL A 1 164 ? 55.992 14.955 -40.919 1.00 41.22 ? 182 VAL A CB 1 +ATOM 1203 C CG1 . VAL A 1 164 ? 55.945 15.806 -39.663 1.00 42.45 ? 182 VAL A CG1 1 +ATOM 1204 C CG2 . VAL A 1 164 ? 54.658 14.258 -41.129 1.00 42.52 ? 182 VAL A CG2 1 +ATOM 1205 N N . PHE A 1 165 ? 55.617 14.742 -44.206 1.00 45.74 ? 183 PHE A N 1 +ATOM 1206 C CA . PHE A 1 165 ? 55.745 13.876 -45.374 1.00 49.60 ? 183 PHE A CA 1 +ATOM 1207 C C . PHE A 1 165 ? 55.748 14.651 -46.690 1.00 52.72 ? 183 PHE A C 1 +ATOM 1208 O O . PHE A 1 165 ? 55.669 14.049 -47.752 1.00 54.39 ? 183 PHE A O 1 +ATOM 1209 C CB . PHE A 1 165 ? 54.607 12.843 -45.420 1.00 49.01 ? 183 PHE A CB 1 +ATOM 1210 C CG . PHE A 1 165 ? 54.420 12.059 -44.144 1.00 49.96 ? 183 PHE A CG 1 +ATOM 1211 C CD1 . PHE A 1 165 ? 55.515 11.489 -43.473 1.00 50.72 ? 183 PHE A CD1 1 +ATOM 1212 C CD2 . PHE A 1 165 ? 53.130 11.853 -43.630 1.00 49.69 ? 183 PHE A CD2 1 +ATOM 1213 C CE1 . PHE A 1 165 ? 55.330 10.716 -42.298 1.00 52.50 ? 183 PHE A CE1 1 +ATOM 1214 C CE2 . PHE A 1 165 ? 52.923 11.084 -42.461 1.00 51.53 ? 183 PHE A CE2 1 +ATOM 1215 C CZ . PHE A 1 165 ? 54.029 10.512 -41.791 1.00 51.75 ? 183 PHE A CZ 1 +ATOM 1216 N N . GLN A 1 166 ? 55.830 15.976 -46.605 1.00 56.69 ? 184 GLN A N 1 +ATOM 1217 C CA . GLN A 1 166 ? 55.854 16.891 -47.756 1.00 62.43 ? 184 GLN A CA 1 +ATOM 1218 C C . GLN A 1 166 ? 54.528 17.045 -48.513 1.00 62.96 ? 184 GLN A C 1 +ATOM 1219 O O . GLN A 1 166 ? 54.060 18.172 -48.699 1.00 63.55 ? 184 GLN A O 1 +ATOM 1220 C CB . GLN A 1 166 ? 57.034 16.546 -48.715 1.00 65.81 ? 184 GLN A CB 1 +ATOM 1221 C CG . GLN A 1 166 ? 56.725 15.981 -50.116 1.00 69.80 ? 184 GLN A CG 1 +ATOM 1222 C CD . GLN A 1 166 ? 56.991 14.478 -50.238 1.00 72.47 ? 184 GLN A CD 1 +ATOM 1223 O OE1 . GLN A 1 166 ? 56.064 13.665 -50.216 1.00 74.05 ? 184 GLN A OE1 1 +ATOM 1224 N NE2 . GLN A 1 166 ? 58.263 14.108 -50.359 1.00 72.97 ? 184 GLN A NE2 1 +ATOM 1225 N N . LYS A 1 167 ? 53.917 15.936 -48.929 1.00 62.78 ? 185 LYS A N 1 +ATOM 1226 C CA . LYS A 1 167 ? 52.653 15.998 -49.650 1.00 62.00 ? 185 LYS A CA 1 +ATOM 1227 C C . LYS A 1 167 ? 51.484 15.568 -48.769 1.00 60.26 ? 185 LYS A C 1 +ATOM 1228 O O . LYS A 1 167 ? 51.600 14.638 -47.968 1.00 59.80 ? 185 LYS A O 1 +ATOM 1229 C CB . LYS A 1 167 ? 52.694 15.117 -50.910 1.00 64.76 ? 185 LYS A CB 1 +ATOM 1230 C CG . LYS A 1 167 ? 52.697 13.610 -50.653 1.00 67.40 ? 185 LYS A CG 1 +ATOM 1231 C CD . LYS A 1 167 ? 52.222 12.833 -51.878 1.00 68.88 ? 185 LYS A CD 1 +ATOM 1232 C CE . LYS A 1 167 ? 52.116 11.335 -51.587 1.00 70.30 ? 185 LYS A CE 1 +ATOM 1233 N NZ . LYS A 1 167 ? 51.124 11.010 -50.511 1.00 70.21 ? 185 LYS A NZ 1 +ATOM 1234 N N . ARG A 1 168 ? 50.359 16.257 -48.927 1.00 57.95 ? 186 ARG A N 1 +ATOM 1235 C CA . ARG A 1 168 ? 49.152 15.947 -48.176 1.00 56.87 ? 186 ARG A CA 1 +ATOM 1236 C C . ARG A 1 168 ? 48.506 14.721 -48.814 1.00 57.19 ? 186 ARG A C 1 +ATOM 1237 O O . ARG A 1 168 ? 48.864 14.336 -49.929 1.00 57.58 ? 186 ARG A O 1 +ATOM 1238 C CB . ARG A 1 168 ? 48.174 17.127 -48.231 1.00 55.58 ? 186 ARG A CB 1 +ATOM 1239 C CG . ARG A 1 168 ? 47.646 17.446 -49.636 1.00 53.44 ? 186 ARG A CG 1 +ATOM 1240 C CD . ARG A 1 168 ? 46.674 18.616 -49.629 1.00 53.47 ? 186 ARG A CD 1 +ATOM 1241 N NE . ARG A 1 168 ? 45.384 18.296 -49.010 1.00 53.75 ? 186 ARG A NE 1 +ATOM 1242 C CZ . ARG A 1 168 ? 44.425 17.557 -49.567 1.00 53.50 ? 186 ARG A CZ 1 +ATOM 1243 N NH1 . ARG A 1 168 ? 44.581 17.034 -50.779 1.00 55.02 ? 186 ARG A NH1 1 +ATOM 1244 N NH2 . ARG A 1 168 ? 43.294 17.346 -48.911 1.00 52.86 ? 186 ARG A NH2 1 +ATOM 1245 N N . PHE A 1 169 ? 47.572 14.103 -48.099 1.00 56.79 ? 187 PHE A N 1 +ATOM 1246 C CA . PHE A 1 169 ? 46.855 12.945 -48.619 1.00 56.34 ? 187 PHE A CA 1 +ATOM 1247 C C . PHE A 1 169 ? 45.520 13.442 -49.140 1.00 56.76 ? 187 PHE A C 1 +ATOM 1248 O O . PHE A 1 169 ? 45.061 14.527 -48.776 1.00 55.10 ? 187 PHE A O 1 +ATOM 1249 C CB . PHE A 1 169 ? 46.533 11.915 -47.525 1.00 57.44 ? 187 PHE A CB 1 +ATOM 1250 C CG . PHE A 1 169 ? 47.712 11.148 -47.020 1.00 58.55 ? 187 PHE A CG 1 +ATOM 1251 C CD1 . PHE A 1 169 ? 48.469 11.631 -45.944 1.00 60.15 ? 187 PHE A CD1 1 +ATOM 1252 C CD2 . PHE A 1 169 ? 48.048 9.912 -47.590 1.00 58.97 ? 187 PHE A CD2 1 +ATOM 1253 C CE1 . PHE A 1 169 ? 49.555 10.888 -45.431 1.00 61.37 ? 187 PHE A CE1 1 +ATOM 1254 C CE2 . PHE A 1 169 ? 49.129 9.155 -47.092 1.00 60.38 ? 187 PHE A CE2 1 +ATOM 1255 C CZ . PHE A 1 169 ? 49.885 9.647 -46.007 1.00 61.23 ? 187 PHE A CZ 1 +ATOM 1256 N N . ASP A 1 170 ? 44.900 12.644 -49.998 1.00 57.17 ? 188 ASP A N 1 +ATOM 1257 C CA . ASP A 1 170 ? 43.581 12.971 -50.492 1.00 57.60 ? 188 ASP A CA 1 +ATOM 1258 C C . ASP A 1 170 ? 42.720 12.481 -49.327 1.00 56.45 ? 188 ASP A C 1 +ATOM 1259 O O . ASP A 1 170 ? 43.113 11.549 -48.620 1.00 54.96 ? 188 ASP A O 1 +ATOM 1260 C CB . ASP A 1 170 ? 43.279 12.182 -51.767 1.00 60.90 ? 188 ASP A CB 1 +ATOM 1261 C CG . ASP A 1 170 ? 41.909 12.492 -52.329 1.00 63.30 ? 188 ASP A CG 1 +ATOM 1262 O OD1 . ASP A 1 170 ? 40.914 11.949 -51.805 1.00 63.78 ? 188 ASP A OD1 1 +ATOM 1263 O OD2 . ASP A 1 170 ? 41.827 13.293 -53.285 1.00 65.32 ? 188 ASP A OD2 1 +ATOM 1264 N N . TYR A 1 171 ? 41.572 13.108 -49.106 1.00 55.50 ? 189 TYR A N 1 +ATOM 1265 C CA . TYR A 1 171 ? 40.705 12.716 -47.998 1.00 55.96 ? 189 TYR A CA 1 +ATOM 1266 C C . TYR A 1 171 ? 40.117 11.308 -48.118 1.00 58.31 ? 189 TYR A C 1 +ATOM 1267 O O . TYR A 1 171 ? 39.705 10.726 -47.115 1.00 58.71 ? 189 TYR A O 1 +ATOM 1268 C CB . TYR A 1 171 ? 39.573 13.734 -47.833 1.00 52.94 ? 189 TYR A CB 1 +ATOM 1269 C CG . TYR A 1 171 ? 40.001 15.110 -47.343 1.00 50.40 ? 189 TYR A CG 1 +ATOM 1270 C CD1 . TYR A 1 171 ? 39.371 16.255 -47.833 1.00 48.03 ? 189 TYR A CD1 1 +ATOM 1271 C CD2 . TYR A 1 171 ? 41.005 15.275 -46.363 1.00 49.62 ? 189 TYR A CD2 1 +ATOM 1272 C CE1 . TYR A 1 171 ? 39.710 17.545 -47.372 1.00 46.41 ? 189 TYR A CE1 1 +ATOM 1273 C CE2 . TYR A 1 171 ? 41.360 16.574 -45.889 1.00 47.68 ? 189 TYR A CE2 1 +ATOM 1274 C CZ . TYR A 1 171 ? 40.696 17.699 -46.406 1.00 46.30 ? 189 TYR A CZ 1 +ATOM 1275 O OH . TYR A 1 171 ? 40.975 18.970 -45.958 1.00 42.11 ? 189 TYR A OH 1 +ATOM 1276 N N . LYS A 1 172 ? 40.082 10.766 -49.335 1.00 59.69 ? 190 LYS A N 1 +ATOM 1277 C CA . LYS A 1 172 ? 39.537 9.432 -49.576 1.00 62.04 ? 190 LYS A CA 1 +ATOM 1278 C C . LYS A 1 172 ? 40.607 8.345 -49.501 1.00 62.71 ? 190 LYS A C 1 +ATOM 1279 O O . LYS A 1 172 ? 40.288 7.153 -49.519 1.00 63.06 ? 190 LYS A O 1 +ATOM 1280 C CB . LYS A 1 172 ? 38.847 9.376 -50.948 1.00 63.38 ? 190 LYS A CB 1 +ATOM 1281 C CG . LYS A 1 172 ? 37.686 10.357 -51.136 1.00 65.31 ? 190 LYS A CG 1 +ATOM 1282 C CD . LYS A 1 172 ? 36.534 10.080 -50.174 1.00 67.17 ? 190 LYS A CD 1 +ATOM 1283 C CE . LYS A 1 172 ? 35.431 11.120 -50.313 1.00 68.75 ? 190 LYS A CE 1 +ATOM 1284 N NZ . LYS A 1 172 ? 34.392 10.969 -49.252 1.00 69.81 ? 190 LYS A NZ 1 +ATOM 1285 N N . ASP A 1 173 ? 41.870 8.762 -49.424 1.00 63.06 ? 191 ASP A N 1 +ATOM 1286 C CA . ASP A 1 173 ? 43.003 7.842 -49.338 1.00 64.69 ? 191 ASP A CA 1 +ATOM 1287 C C . ASP A 1 173 ? 42.801 6.955 -48.108 1.00 65.20 ? 191 ASP A C 1 +ATOM 1288 O O . ASP A 1 173 ? 42.671 7.459 -46.988 1.00 65.52 ? 191 ASP A O 1 +ATOM 1289 C CB . ASP A 1 173 ? 44.306 8.642 -49.200 1.00 66.15 ? 191 ASP A CB 1 +ATOM 1290 C CG . ASP A 1 173 ? 45.548 7.808 -49.473 1.00 67.87 ? 191 ASP A CG 1 +ATOM 1291 O OD1 . ASP A 1 173 ? 45.659 6.689 -48.932 1.00 70.13 ? 191 ASP A OD1 1 +ATOM 1292 O OD2 . ASP A 1 173 ? 46.428 8.282 -50.224 1.00 69.15 ? 191 ASP A OD2 1 +ATOM 1293 N N . GLN A 1 174 ? 42.765 5.641 -48.324 1.00 65.12 ? 192 GLN A N 1 +ATOM 1294 C CA . GLN A 1 174 ? 42.562 4.680 -47.237 1.00 65.01 ? 192 GLN A CA 1 +ATOM 1295 C C . GLN A 1 174 ? 43.667 4.755 -46.189 1.00 63.58 ? 192 GLN A C 1 +ATOM 1296 O O . GLN A 1 174 ? 43.398 4.629 -44.994 1.00 62.78 ? 192 GLN A O 1 +ATOM 1297 C CB . GLN A 1 174 ? 42.473 3.255 -47.799 1.00 67.16 ? 192 GLN A CB 1 +ATOM 1298 C CG . GLN A 1 174 ? 42.124 2.161 -46.781 1.00 70.07 ? 192 GLN A CG 1 +ATOM 1299 C CD . GLN A 1 174 ? 40.745 2.334 -46.155 1.00 71.84 ? 192 GLN A CD 1 +ATOM 1300 O OE1 . GLN A 1 174 ? 40.557 3.144 -45.245 1.00 71.76 ? 192 GLN A OE1 1 +ATOM 1301 N NE2 . GLN A 1 174 ? 39.772 1.575 -46.650 1.00 72.86 ? 192 GLN A NE2 1 +ATOM 1302 N N . ASN A 1 175 ? 44.903 4.961 -46.635 1.00 62.34 ? 193 ASN A N 1 +ATOM 1303 C CA . ASN A 1 175 ? 46.033 5.061 -45.717 1.00 61.76 ? 193 ASN A CA 1 +ATOM 1304 C C . ASN A 1 175 ? 45.887 6.261 -44.790 1.00 60.37 ? 193 ASN A C 1 +ATOM 1305 O O . ASN A 1 175 ? 46.342 6.223 -43.649 1.00 59.66 ? 193 ASN A O 1 +ATOM 1306 C CB . ASN A 1 175 ? 47.350 5.148 -46.490 1.00 63.53 ? 193 ASN A CB 1 +ATOM 1307 C CG . ASN A 1 175 ? 47.741 3.823 -47.111 1.00 65.97 ? 193 ASN A CG 1 +ATOM 1308 O OD1 . ASN A 1 175 ? 47.860 2.812 -46.413 1.00 67.09 ? 193 ASN A OD1 1 +ATOM 1309 N ND2 . ASN A 1 175 ? 47.938 3.816 -48.427 1.00 65.51 ? 193 ASN A ND2 1 +ATOM 1310 N N . PHE A 1 176 ? 45.251 7.318 -45.290 1.00 58.40 ? 194 PHE A N 1 +ATOM 1311 C CA . PHE A 1 176 ? 45.009 8.527 -44.515 1.00 56.27 ? 194 PHE A CA 1 +ATOM 1312 C C . PHE A 1 176 ? 43.887 8.252 -43.513 1.00 55.86 ? 194 PHE A C 1 +ATOM 1313 O O . PHE A 1 176 ? 43.983 8.617 -42.343 1.00 54.71 ? 194 PHE A O 1 +ATOM 1314 C CB . PHE A 1 176 ? 44.600 9.676 -45.445 1.00 53.82 ? 194 PHE A CB 1 +ATOM 1315 C CG . PHE A 1 176 ? 44.146 10.919 -44.724 1.00 51.92 ? 194 PHE A CG 1 +ATOM 1316 C CD1 . PHE A 1 176 ? 45.058 11.700 -43.992 1.00 50.16 ? 194 PHE A CD1 1 +ATOM 1317 C CD2 . PHE A 1 176 ? 42.798 11.313 -44.768 1.00 50.73 ? 194 PHE A CD2 1 +ATOM 1318 C CE1 . PHE A 1 176 ? 44.635 12.865 -43.310 1.00 48.73 ? 194 PHE A CE1 1 +ATOM 1319 C CE2 . PHE A 1 176 ? 42.358 12.476 -44.091 1.00 49.62 ? 194 PHE A CE2 1 +ATOM 1320 C CZ . PHE A 1 176 ? 43.280 13.252 -43.361 1.00 48.80 ? 194 PHE A CZ 1 +ATOM 1321 N N . LEU A 1 177 ? 42.831 7.605 -43.996 1.00 56.56 ? 195 LEU A N 1 +ATOM 1322 C CA . LEU A 1 177 ? 41.667 7.266 -43.189 1.00 57.44 ? 195 LEU A CA 1 +ATOM 1323 C C . LEU A 1 177 ? 41.989 6.374 -41.994 1.00 57.58 ? 195 LEU A C 1 +ATOM 1324 O O . LEU A 1 177 ? 41.606 6.690 -40.866 1.00 56.72 ? 195 LEU A O 1 +ATOM 1325 C CB . LEU A 1 177 ? 40.612 6.595 -44.071 1.00 58.86 ? 195 LEU A CB 1 +ATOM 1326 C CG . LEU A 1 177 ? 39.259 7.295 -44.254 1.00 60.76 ? 195 LEU A CG 1 +ATOM 1327 C CD1 . LEU A 1 177 ? 39.433 8.717 -44.761 1.00 59.38 ? 195 LEU A CD1 1 +ATOM 1328 C CD2 . LEU A 1 177 ? 38.425 6.485 -45.232 1.00 61.96 ? 195 LEU A CD2 1 +ATOM 1329 N N . THR A 1 178 ? 42.696 5.272 -42.235 1.00 57.32 ? 196 THR A N 1 +ATOM 1330 C CA . THR A 1 178 ? 43.055 4.352 -41.158 1.00 58.89 ? 196 THR A CA 1 +ATOM 1331 C C . THR A 1 178 ? 44.076 4.980 -40.205 1.00 58.28 ? 196 THR A C 1 +ATOM 1332 O O . THR A 1 178 ? 44.027 4.746 -38.997 1.00 58.13 ? 196 THR A O 1 +ATOM 1333 C CB . THR A 1 178 ? 43.612 2.999 -41.705 1.00 59.53 ? 196 THR A CB 1 +ATOM 1334 O OG1 . THR A 1 178 ? 44.811 3.228 -42.454 1.00 60.54 ? 196 THR A OG1 1 +ATOM 1335 C CG2 . THR A 1 178 ? 42.584 2.323 -42.602 1.00 60.19 ? 196 THR A CG2 1 +ATOM 1336 N N . LEU A 1 179 ? 44.989 5.781 -40.748 1.00 58.77 ? 197 LEU A N 1 +ATOM 1337 C CA . LEU A 1 179 ? 46.006 6.457 -39.941 1.00 59.91 ? 197 LEU A CA 1 +ATOM 1338 C C . LEU A 1 179 ? 45.314 7.409 -38.974 1.00 60.84 ? 197 LEU A C 1 +ATOM 1339 O O . LEU A 1 179 ? 45.700 7.526 -37.808 1.00 61.12 ? 197 LEU A O 1 +ATOM 1340 C CB . LEU A 1 179 ? 46.967 7.243 -40.849 1.00 59.98 ? 197 LEU A CB 1 +ATOM 1341 C CG . LEU A 1 179 ? 48.151 8.085 -40.333 1.00 60.46 ? 197 LEU A CG 1 +ATOM 1342 C CD1 . LEU A 1 179 ? 47.662 9.420 -39.800 1.00 60.65 ? 197 LEU A CD1 1 +ATOM 1343 C CD2 . LEU A 1 179 ? 48.931 7.317 -39.277 1.00 60.19 ? 197 LEU A CD2 1 +ATOM 1344 N N . MET A 1 180 ? 44.281 8.076 -39.476 1.00 60.88 ? 198 MET A N 1 +ATOM 1345 C CA . MET A 1 180 ? 43.518 9.030 -38.697 1.00 61.65 ? 198 MET A CA 1 +ATOM 1346 C C . MET A 1 180 ? 42.628 8.334 -37.677 1.00 61.72 ? 198 MET A C 1 +ATOM 1347 O O . MET A 1 180 ? 42.458 8.827 -36.563 1.00 61.73 ? 198 MET A O 1 +ATOM 1348 C CB . MET A 1 180 ? 42.669 9.887 -39.628 1.00 61.26 ? 198 MET A CB 1 +ATOM 1349 C CG . MET A 1 180 ? 42.475 11.303 -39.153 1.00 61.50 ? 198 MET A CG 1 +ATOM 1350 S SD . MET A 1 180 ? 41.501 12.196 -40.341 1.00 62.11 ? 198 MET A SD 1 +ATOM 1351 C CE . MET A 1 180 ? 39.943 12.382 -39.437 1.00 64.63 ? 198 MET A CE 1 +ATOM 1352 N N . LYS A 1 181 ? 42.062 7.190 -38.054 1.00 62.26 ? 199 LYS A N 1 +ATOM 1353 C CA . LYS A 1 181 ? 41.198 6.449 -37.144 1.00 62.81 ? 199 LYS A CA 1 +ATOM 1354 C C . LYS A 1 181 ? 41.977 5.908 -35.954 1.00 62.24 ? 199 LYS A C 1 +ATOM 1355 O O . LYS A 1 181 ? 41.462 5.889 -34.837 1.00 60.42 ? 199 LYS A O 1 +ATOM 1356 C CB . LYS A 1 181 ? 40.489 5.299 -37.865 1.00 63.57 ? 199 LYS A CB 1 +ATOM 1357 C CG . LYS A 1 181 ? 38.960 5.407 -37.820 1.00 68.08 ? 199 LYS A CG 1 +ATOM 1358 C CD . LYS A 1 181 ? 38.418 5.362 -36.380 1.00 70.67 ? 199 LYS A CD 1 +ATOM 1359 C CE . LYS A 1 181 ? 36.972 5.850 -36.286 1.00 71.77 ? 199 LYS A CE 1 +ATOM 1360 N NZ . LYS A 1 181 ? 36.843 7.320 -36.515 1.00 71.94 ? 199 LYS A NZ 1 +ATOM 1361 N N . ARG A 1 182 ? 43.216 5.483 -36.194 1.00 61.50 ? 200 ARG A N 1 +ATOM 1362 C CA . ARG A 1 182 ? 44.063 4.954 -35.132 1.00 62.49 ? 200 ARG A CA 1 +ATOM 1363 C C . ARG A 1 182 ? 44.400 6.029 -34.103 1.00 61.65 ? 200 ARG A C 1 +ATOM 1364 O O . ARG A 1 182 ? 44.362 5.768 -32.900 1.00 60.52 ? 200 ARG A O 1 +ATOM 1365 C CB . ARG A 1 182 ? 45.353 4.359 -35.707 1.00 64.01 ? 200 ARG A CB 1 +ATOM 1366 C CG . ARG A 1 182 ? 45.157 3.022 -36.404 1.00 67.16 ? 200 ARG A CG 1 +ATOM 1367 C CD . ARG A 1 182 ? 46.457 2.226 -36.452 1.00 70.03 ? 200 ARG A CD 1 +ATOM 1368 N NE . ARG A 1 182 ? 47.407 2.718 -37.448 1.00 72.37 ? 200 ARG A NE 1 +ATOM 1369 C CZ . ARG A 1 182 ? 47.398 2.381 -38.735 1.00 73.77 ? 200 ARG A CZ 1 +ATOM 1370 N NH1 . ARG A 1 182 ? 48.310 2.887 -39.557 1.00 75.32 ? 200 ARG A NH1 1 +ATOM 1371 N NH2 . ARG A 1 182 ? 46.489 1.532 -39.205 1.00 74.16 ? 200 ARG A NH2 1 +ATOM 1372 N N . PHE A 1 183 ? 44.726 7.231 -34.576 1.00 60.99 ? 201 PHE A N 1 +ATOM 1373 C CA . PHE A 1 183 ? 45.045 8.342 -33.680 1.00 60.37 ? 201 PHE A CA 1 +ATOM 1374 C C . PHE A 1 183 ? 43.796 8.774 -32.917 1.00 59.31 ? 201 PHE A C 1 +ATOM 1375 O O . PHE A 1 183 ? 43.877 9.236 -31.781 1.00 57.57 ? 201 PHE A O 1 +ATOM 1376 C CB . PHE A 1 183 ? 45.615 9.527 -34.467 1.00 61.98 ? 201 PHE A CB 1 +ATOM 1377 C CG . PHE A 1 183 ? 47.102 9.442 -34.714 1.00 64.03 ? 201 PHE A CG 1 +ATOM 1378 C CD1 . PHE A 1 183 ? 47.615 9.546 -36.016 1.00 64.12 ? 201 PHE A CD1 1 +ATOM 1379 C CD2 . PHE A 1 183 ? 48.001 9.274 -33.643 1.00 63.86 ? 201 PHE A CD2 1 +ATOM 1380 C CE1 . PHE A 1 183 ? 49.010 9.484 -36.256 1.00 64.00 ? 201 PHE A CE1 1 +ATOM 1381 C CE2 . PHE A 1 183 ? 49.397 9.210 -33.864 1.00 63.82 ? 201 PHE A CE2 1 +ATOM 1382 C CZ . PHE A 1 183 ? 49.901 9.315 -35.174 1.00 63.57 ? 201 PHE A CZ 1 +ATOM 1383 N N . ASN A 1 184 ? 42.645 8.607 -33.556 1.00 58.24 ? 202 ASN A N 1 +ATOM 1384 C CA . ASN A 1 184 ? 41.364 8.948 -32.963 1.00 58.27 ? 202 ASN A CA 1 +ATOM 1385 C C . ASN A 1 184 ? 41.034 7.948 -31.848 1.00 57.99 ? 202 ASN A C 1 +ATOM 1386 O O . ASN A 1 184 ? 40.605 8.344 -30.761 1.00 57.92 ? 202 ASN A O 1 +ATOM 1387 C CB . ASN A 1 184 ? 40.280 8.905 -34.035 1.00 59.32 ? 202 ASN A CB 1 +ATOM 1388 C CG . ASN A 1 184 ? 39.189 9.914 -33.799 1.00 61.00 ? 202 ASN A CG 1 +ATOM 1389 O OD1 . ASN A 1 184 ? 38.600 9.971 -32.719 1.00 62.52 ? 202 ASN A OD1 1 +ATOM 1390 N ND2 . ASN A 1 184 ? 38.904 10.722 -34.817 1.00 63.05 ? 202 ASN A ND2 1 +ATOM 1391 N N . GLU A 1 185 ? 41.238 6.658 -32.124 1.00 57.06 ? 203 GLU A N 1 +ATOM 1392 C CA . GLU A 1 185 ? 40.974 5.596 -31.148 1.00 56.49 ? 203 GLU A CA 1 +ATOM 1393 C C . GLU A 1 185 ? 41.840 5.793 -29.917 1.00 53.97 ? 203 GLU A C 1 +ATOM 1394 O O . GLU A 1 185 ? 41.352 5.710 -28.788 1.00 53.37 ? 203 GLU A O 1 +ATOM 1395 C CB . GLU A 1 185 ? 41.269 4.210 -31.733 1.00 58.74 ? 203 GLU A CB 1 +ATOM 1396 C CG . GLU A 1 185 ? 40.316 3.751 -32.816 1.00 62.78 ? 203 GLU A CG 1 +ATOM 1397 C CD . GLU A 1 185 ? 40.576 2.318 -33.241 1.00 65.84 ? 203 GLU A CD 1 +ATOM 1398 O OE1 . GLU A 1 185 ? 40.279 1.398 -32.448 1.00 67.98 ? 203 GLU A OE1 1 +ATOM 1399 O OE2 . GLU A 1 185 ? 41.086 2.112 -34.363 1.00 67.28 ? 203 GLU A OE2 1 +ATOM 1400 N N . ASN A 1 186 ? 43.126 6.051 -30.147 1.00 50.36 ? 204 ASN A N 1 +ATOM 1401 C CA . ASN A 1 186 ? 44.076 6.273 -29.066 1.00 48.25 ? 204 ASN A CA 1 +ATOM 1402 C C . ASN A 1 186 ? 43.801 7.563 -28.306 1.00 46.39 ? 204 ASN A C 1 +ATOM 1403 O O . ASN A 1 186 ? 44.059 7.636 -27.109 1.00 46.32 ? 204 ASN A O 1 +ATOM 1404 C CB . ASN A 1 186 ? 45.503 6.277 -29.610 1.00 48.01 ? 204 ASN A CB 1 +ATOM 1405 C CG . ASN A 1 186 ? 46.126 4.893 -29.618 1.00 49.20 ? 204 ASN A CG 1 +ATOM 1406 O OD1 . ASN A 1 186 ? 45.474 3.898 -29.960 1.00 46.83 ? 204 ASN A OD1 1 +ATOM 1407 N ND2 . ASN A 1 186 ? 47.401 4.823 -29.250 1.00 50.34 ? 204 ASN A ND2 1 +ATOM 1408 N N . PHE A 1 187 ? 43.281 8.578 -28.993 1.00 44.17 ? 205 PHE A N 1 +ATOM 1409 C CA . PHE A 1 187 ? 42.961 9.835 -28.329 1.00 41.78 ? 205 PHE A CA 1 +ATOM 1410 C C . PHE A 1 187 ? 41.813 9.612 -27.346 1.00 39.37 ? 205 PHE A C 1 +ATOM 1411 O O . PHE A 1 187 ? 41.895 10.035 -26.201 1.00 41.05 ? 205 PHE A O 1 +ATOM 1412 C CB . PHE A 1 187 ? 42.572 10.929 -29.341 1.00 40.75 ? 205 PHE A CB 1 +ATOM 1413 C CG . PHE A 1 187 ? 41.904 12.123 -28.709 1.00 38.87 ? 205 PHE A CG 1 +ATOM 1414 C CD1 . PHE A 1 187 ? 40.508 12.270 -28.757 1.00 37.85 ? 205 PHE A CD1 1 +ATOM 1415 C CD2 . PHE A 1 187 ? 42.658 13.062 -27.988 1.00 38.22 ? 205 PHE A CD2 1 +ATOM 1416 C CE1 . PHE A 1 187 ? 39.866 13.338 -28.088 1.00 37.94 ? 205 PHE A CE1 1 +ATOM 1417 C CE2 . PHE A 1 187 ? 42.034 14.137 -27.312 1.00 37.41 ? 205 PHE A CE2 1 +ATOM 1418 C CZ . PHE A 1 187 ? 40.633 14.273 -27.362 1.00 37.25 ? 205 PHE A CZ 1 +ATOM 1419 N N . ARG A 1 188 ? 40.759 8.942 -27.800 1.00 38.20 ? 206 ARG A N 1 +ATOM 1420 C CA . ARG A 1 188 ? 39.594 8.666 -26.970 1.00 39.83 ? 206 ARG A CA 1 +ATOM 1421 C C . ARG A 1 188 ? 39.937 7.859 -25.717 1.00 40.47 ? 206 ARG A C 1 +ATOM 1422 O O . ARG A 1 188 ? 39.447 8.157 -24.627 1.00 41.31 ? 206 ARG A O 1 +ATOM 1423 C CB . ARG A 1 188 ? 38.517 7.951 -27.794 1.00 42.74 ? 206 ARG A CB 1 +ATOM 1424 C CG . ARG A 1 188 ? 37.853 8.849 -28.841 1.00 47.70 ? 206 ARG A CG 1 +ATOM 1425 C CD . ARG A 1 188 ? 36.691 8.156 -29.548 1.00 52.14 ? 206 ARG A CD 1 +ATOM 1426 N NE . ARG A 1 188 ? 37.147 7.101 -30.452 1.00 58.48 ? 206 ARG A NE 1 +ATOM 1427 C CZ . ARG A 1 188 ? 36.984 7.111 -31.776 1.00 61.12 ? 206 ARG A CZ 1 +ATOM 1428 N NH1 . ARG A 1 188 ? 36.366 8.125 -32.377 1.00 61.40 ? 206 ARG A NH1 1 +ATOM 1429 N NH2 . ARG A 1 188 ? 37.453 6.105 -32.505 1.00 61.84 ? 206 ARG A NH2 1 +ATOM 1430 N N . ILE A 1 189 ? 40.787 6.850 -25.866 1.00 38.29 ? 207 ILE A N 1 +ATOM 1431 C CA . ILE A 1 189 ? 41.204 6.041 -24.729 1.00 38.21 ? 207 ILE A CA 1 +ATOM 1432 C C . ILE A 1 189 ? 42.024 6.897 -23.750 1.00 36.60 ? 207 ILE A C 1 +ATOM 1433 O O . ILE A 1 189 ? 41.781 6.867 -22.547 1.00 34.61 ? 207 ILE A O 1 +ATOM 1434 C CB . ILE A 1 189 ? 42.034 4.813 -25.210 1.00 36.94 ? 207 ILE A CB 1 +ATOM 1435 C CG1 . ILE A 1 189 ? 41.090 3.778 -25.830 1.00 36.49 ? 207 ILE A CG1 1 +ATOM 1436 C CG2 . ILE A 1 189 ? 42.859 4.235 -24.067 1.00 34.64 ? 207 ILE A CG2 1 +ATOM 1437 C CD1 . ILE A 1 189 ? 41.789 2.721 -26.687 1.00 40.93 ? 207 ILE A CD1 1 +ATOM 1438 N N . LEU A 1 190 ? 42.976 7.666 -24.273 1.00 37.19 ? 208 LEU A N 1 +ATOM 1439 C CA . LEU A 1 190 ? 43.830 8.517 -23.439 1.00 36.91 ? 208 LEU A CA 1 +ATOM 1440 C C . LEU A 1 190 ? 43.124 9.745 -22.859 1.00 37.09 ? 208 LEU A C 1 +ATOM 1441 O O . LEU A 1 190 ? 43.676 10.432 -22.007 1.00 39.44 ? 208 LEU A O 1 +ATOM 1442 C CB . LEU A 1 190 ? 45.065 8.960 -24.230 1.00 39.81 ? 208 LEU A CB 1 +ATOM 1443 C CG . LEU A 1 190 ? 46.003 7.874 -24.788 1.00 42.99 ? 208 LEU A CG 1 +ATOM 1444 C CD1 . LEU A 1 190 ? 47.085 8.533 -25.637 1.00 44.12 ? 208 LEU A CD1 1 +ATOM 1445 C CD2 . LEU A 1 190 ? 46.635 7.068 -23.653 1.00 43.65 ? 208 LEU A CD2 1 +ATOM 1446 N N . ASN A 1 191 ? 41.908 10.022 -23.317 1.00 35.94 ? 209 ASN A N 1 +ATOM 1447 C CA . ASN A 1 191 ? 41.147 11.163 -22.818 1.00 35.71 ? 209 ASN A CA 1 +ATOM 1448 C C . ASN A 1 191 ? 40.171 10.718 -21.727 1.00 35.70 ? 209 ASN A C 1 +ATOM 1449 O O . ASN A 1 191 ? 39.427 11.523 -21.165 1.00 35.45 ? 209 ASN A O 1 +ATOM 1450 C CB . ASN A 1 191 ? 40.386 11.836 -23.969 1.00 33.83 ? 209 ASN A CB 1 +ATOM 1451 C CG . ASN A 1 191 ? 39.871 13.217 -23.600 1.00 32.32 ? 209 ASN A CG 1 +ATOM 1452 O OD1 . ASN A 1 191 ? 40.576 13.998 -22.984 1.00 29.41 ? 209 ASN A OD1 1 +ATOM 1453 N ND2 . ASN A 1 191 ? 38.644 13.524 -23.995 1.00 34.35 ? 209 ASN A ND2 1 +ATOM 1454 N N . SER A 1 192 ? 40.190 9.425 -21.426 1.00 35.96 ? 210 SER A N 1 +ATOM 1455 C CA . SER A 1 192 ? 39.320 8.858 -20.409 1.00 34.72 ? 210 SER A CA 1 +ATOM 1456 C C . SER A 1 192 ? 39.819 9.148 -18.995 1.00 32.82 ? 210 SER A C 1 +ATOM 1457 O O . SER A 1 192 ? 41.022 9.137 -18.745 1.00 31.47 ? 210 SER A O 1 +ATOM 1458 C CB . SER A 1 192 ? 39.221 7.343 -20.604 1.00 35.69 ? 210 SER A CB 1 +ATOM 1459 O OG . SER A 1 192 ? 38.595 6.720 -19.499 1.00 34.81 ? 210 SER A OG 1 +ATOM 1460 N N . PRO A 1 193 ? 38.899 9.397 -18.047 1.00 33.68 ? 211 PRO A N 1 +ATOM 1461 C CA . PRO A 1 193 ? 39.315 9.668 -16.665 1.00 36.54 ? 211 PRO A CA 1 +ATOM 1462 C C . PRO A 1 193 ? 40.033 8.446 -16.057 1.00 39.58 ? 211 PRO A C 1 +ATOM 1463 O O . PRO A 1 193 ? 40.715 8.566 -15.032 1.00 40.82 ? 211 PRO A O 1 +ATOM 1464 C CB . PRO A 1 193 ? 37.998 9.952 -15.953 1.00 35.49 ? 211 PRO A CB 1 +ATOM 1465 C CG . PRO A 1 193 ? 37.098 10.435 -17.043 1.00 37.12 ? 211 PRO A CG 1 +ATOM 1466 C CD . PRO A 1 193 ? 37.436 9.521 -18.182 1.00 34.64 ? 211 PRO A CD 1 +ATOM 1467 N N . TRP A 1 194 ? 39.868 7.282 -16.692 1.00 39.17 ? 212 TRP A N 1 +ATOM 1468 C CA . TRP A 1 194 ? 40.493 6.039 -16.238 1.00 40.16 ? 212 TRP A CA 1 +ATOM 1469 C C . TRP A 1 194 ? 42.013 6.024 -16.349 1.00 41.91 ? 212 TRP A C 1 +ATOM 1470 O O . TRP A 1 194 ? 42.676 5.306 -15.598 1.00 42.52 ? 212 TRP A O 1 +ATOM 1471 C CB . TRP A 1 194 ? 39.942 4.831 -17.016 1.00 37.23 ? 212 TRP A CB 1 +ATOM 1472 C CG . TRP A 1 194 ? 38.653 4.268 -16.472 1.00 33.61 ? 212 TRP A CG 1 +ATOM 1473 C CD1 . TRP A 1 194 ? 37.404 4.408 -17.004 1.00 32.45 ? 212 TRP A CD1 1 +ATOM 1474 C CD2 . TRP A 1 194 ? 38.495 3.493 -15.278 1.00 32.94 ? 212 TRP A CD2 1 +ATOM 1475 N NE1 . TRP A 1 194 ? 36.475 3.770 -16.220 1.00 32.29 ? 212 TRP A NE1 1 +ATOM 1476 C CE2 . TRP A 1 194 ? 37.113 3.199 -15.152 1.00 33.12 ? 212 TRP A CE2 1 +ATOM 1477 C CE3 . TRP A 1 194 ? 39.388 3.018 -14.297 1.00 32.83 ? 212 TRP A CE3 1 +ATOM 1478 C CZ2 . TRP A 1 194 ? 36.594 2.446 -14.079 1.00 32.84 ? 212 TRP A CZ2 1 +ATOM 1479 C CZ3 . TRP A 1 194 ? 38.874 2.266 -13.224 1.00 35.14 ? 212 TRP A CZ3 1 +ATOM 1480 C CH2 . TRP A 1 194 ? 37.484 1.990 -13.129 1.00 34.61 ? 212 TRP A CH2 1 +ATOM 1481 N N . ILE A 1 195 ? 42.580 6.794 -17.278 1.00 44.52 ? 213 ILE A N 1 +ATOM 1482 C CA . ILE A 1 195 ? 44.034 6.790 -17.410 1.00 47.92 ? 213 ILE A CA 1 +ATOM 1483 C C . ILE A 1 195 ? 44.689 7.518 -16.234 1.00 48.52 ? 213 ILE A C 1 +ATOM 1484 O O . ILE A 1 195 ? 45.847 7.262 -15.911 1.00 49.49 ? 213 ILE A O 1 +ATOM 1485 C CB . ILE A 1 195 ? 44.514 7.389 -18.782 1.00 50.03 ? 213 ILE A CB 1 +ATOM 1486 C CG1 . ILE A 1 195 ? 44.234 8.885 -18.862 1.00 53.44 ? 213 ILE A CG1 1 +ATOM 1487 C CG2 . ILE A 1 195 ? 43.838 6.658 -19.939 1.00 49.00 ? 213 ILE A CG2 1 +ATOM 1488 C CD1 . ILE A 1 195 ? 45.420 9.746 -18.454 1.00 56.96 ? 213 ILE A CD1 1 +ATOM 1489 N N . GLN A 1 196 ? 43.938 8.415 -15.597 1.00 49.55 ? 214 GLN A N 1 +ATOM 1490 C CA . GLN A 1 196 ? 44.427 9.158 -14.439 1.00 51.50 ? 214 GLN A CA 1 +ATOM 1491 C C . GLN A 1 196 ? 44.598 8.165 -13.295 1.00 51.47 ? 214 GLN A C 1 +ATOM 1492 O O . GLN A 1 196 ? 45.613 8.173 -12.592 1.00 51.21 ? 214 GLN A O 1 +ATOM 1493 C CB . GLN A 1 196 ? 43.420 10.235 -14.019 1.00 54.51 ? 214 GLN A CB 1 +ATOM 1494 C CG . GLN A 1 196 ? 43.251 11.405 -14.992 1.00 60.66 ? 214 GLN A CG 1 +ATOM 1495 C CD . GLN A 1 196 ? 44.517 12.232 -15.151 1.00 63.07 ? 214 GLN A CD 1 +ATOM 1496 O OE1 . GLN A 1 196 ? 45.418 11.873 -15.915 1.00 64.34 ? 214 GLN A OE1 1 +ATOM 1497 N NE2 . GLN A 1 196 ? 44.595 13.341 -14.418 1.00 63.89 ? 214 GLN A NE2 1 +ATOM 1498 N N . VAL A 1 197 ? 43.595 7.304 -13.130 1.00 49.85 ? 215 VAL A N 1 +ATOM 1499 C CA . VAL A 1 197 ? 43.604 6.288 -12.089 1.00 48.37 ? 215 VAL A CA 1 +ATOM 1500 C C . VAL A 1 197 ? 44.693 5.252 -12.356 1.00 47.23 ? 215 VAL A C 1 +ATOM 1501 O O . VAL A 1 197 ? 45.435 4.890 -11.446 1.00 46.68 ? 215 VAL A O 1 +ATOM 1502 C CB . VAL A 1 197 ? 42.228 5.582 -11.992 1.00 48.67 ? 215 VAL A CB 1 +ATOM 1503 C CG1 . VAL A 1 197 ? 42.231 4.573 -10.855 1.00 50.54 ? 215 VAL A CG1 1 +ATOM 1504 C CG2 . VAL A 1 197 ? 41.124 6.613 -11.764 1.00 48.13 ? 215 VAL A CG2 1 +ATOM 1505 N N . CYS A 1 198 ? 44.797 4.791 -13.603 1.00 45.78 ? 216 CYS A N 1 +ATOM 1506 C CA . CYS A 1 198 ? 45.797 3.787 -13.973 1.00 45.30 ? 216 CYS A CA 1 +ATOM 1507 C C . CYS A 1 198 ? 47.235 4.265 -13.894 1.00 45.71 ? 216 CYS A C 1 +ATOM 1508 O O . CYS A 1 198 ? 48.136 3.476 -13.609 1.00 44.85 ? 216 CYS A O 1 +ATOM 1509 C CB . CYS A 1 198 ? 45.539 3.253 -15.379 1.00 45.31 ? 216 CYS A CB 1 +ATOM 1510 S SG . CYS A 1 198 ? 44.073 2.226 -15.509 1.00 46.26 ? 216 CYS A SG 1 +ATOM 1511 N N . ASN A 1 199 ? 47.460 5.550 -14.156 1.00 46.04 ? 217 ASN A N 1 +ATOM 1512 C CA . ASN A 1 199 ? 48.814 6.087 -14.090 1.00 46.60 ? 217 ASN A CA 1 +ATOM 1513 C C . ASN A 1 199 ? 49.321 6.176 -12.665 1.00 44.49 ? 217 ASN A C 1 +ATOM 1514 O O . ASN A 1 199 ? 50.516 6.064 -12.422 1.00 45.03 ? 217 ASN A O 1 +ATOM 1515 C CB . ASN A 1 199 ? 48.894 7.467 -14.738 1.00 47.63 ? 217 ASN A CB 1 +ATOM 1516 C CG . ASN A 1 199 ? 49.368 7.397 -16.163 1.00 50.10 ? 217 ASN A CG 1 +ATOM 1517 O OD1 . ASN A 1 199 ? 50.249 6.599 -16.495 1.00 48.79 ? 217 ASN A OD1 1 +ATOM 1518 N ND2 . ASN A 1 199 ? 48.802 8.238 -17.019 1.00 52.44 ? 217 ASN A ND2 1 +ATOM 1519 N N . ASN A 1 200 ? 48.403 6.379 -11.731 1.00 43.61 ? 218 ASN A N 1 +ATOM 1520 C CA . ASN A 1 200 ? 48.759 6.483 -10.331 1.00 44.67 ? 218 ASN A CA 1 +ATOM 1521 C C . ASN A 1 200 ? 48.632 5.150 -9.590 1.00 44.15 ? 218 ASN A C 1 +ATOM 1522 O O . ASN A 1 200 ? 49.200 4.980 -8.517 1.00 44.22 ? 218 ASN A O 1 +ATOM 1523 C CB . ASN A 1 200 ? 47.934 7.602 -9.691 1.00 44.41 ? 218 ASN A CB 1 +ATOM 1524 C CG . ASN A 1 200 ? 48.337 8.976 -10.223 1.00 44.58 ? 218 ASN A CG 1 +ATOM 1525 O OD1 . ASN A 1 200 ? 49.485 9.390 -10.077 1.00 45.71 ? 218 ASN A OD1 1 +ATOM 1526 N ND2 . ASN A 1 200 ? 47.403 9.674 -10.851 1.00 44.64 ? 218 ASN A ND2 1 +ATOM 1527 N N . PHE A 1 201 ? 47.897 4.207 -10.178 1.00 44.10 ? 219 PHE A N 1 +ATOM 1528 C CA . PHE A 1 201 ? 47.752 2.854 -9.623 1.00 43.42 ? 219 PHE A CA 1 +ATOM 1529 C C . PHE A 1 201 ? 48.048 1.903 -10.794 1.00 42.90 ? 219 PHE A C 1 +ATOM 1530 O O . PHE A 1 201 ? 47.139 1.290 -11.342 1.00 41.55 ? 219 PHE A O 1 +ATOM 1531 C CB . PHE A 1 201 ? 46.335 2.609 -9.089 1.00 42.59 ? 219 PHE A CB 1 +ATOM 1532 C CG . PHE A 1 201 ? 45.913 3.570 -8.019 1.00 44.09 ? 219 PHE A CG 1 +ATOM 1533 C CD1 . PHE A 1 201 ? 45.049 4.632 -8.318 1.00 44.52 ? 219 PHE A CD1 1 +ATOM 1534 C CD2 . PHE A 1 201 ? 46.398 3.441 -6.712 1.00 46.49 ? 219 PHE A CD2 1 +ATOM 1535 C CE1 . PHE A 1 201 ? 44.669 5.561 -7.335 1.00 45.21 ? 219 PHE A CE1 1 +ATOM 1536 C CE2 . PHE A 1 201 ? 46.027 4.370 -5.704 1.00 46.43 ? 219 PHE A CE2 1 +ATOM 1537 C CZ . PHE A 1 201 ? 45.160 5.431 -6.022 1.00 47.73 ? 219 PHE A CZ 1 +ATOM 1538 N N . PRO A 1 202 ? 49.335 1.778 -11.188 1.00 44.81 ? 220 PRO A N 1 +ATOM 1539 C CA . PRO A 1 202 ? 49.806 0.928 -12.294 1.00 46.73 ? 220 PRO A CA 1 +ATOM 1540 C C . PRO A 1 202 ? 49.265 -0.500 -12.394 1.00 49.04 ? 220 PRO A C 1 +ATOM 1541 O O . PRO A 1 202 ? 49.188 -1.058 -13.496 1.00 49.57 ? 220 PRO A O 1 +ATOM 1542 C CB . PRO A 1 202 ? 51.323 0.952 -12.120 1.00 47.19 ? 220 PRO A CB 1 +ATOM 1543 C CG . PRO A 1 202 ? 51.564 2.314 -11.559 1.00 45.58 ? 220 PRO A CG 1 +ATOM 1544 C CD . PRO A 1 202 ? 50.490 2.402 -10.512 1.00 44.45 ? 220 PRO A CD 1 +ATOM 1545 N N . LEU A 1 203 ? 48.908 -1.092 -11.255 1.00 50.76 ? 221 LEU A N 1 +ATOM 1546 C CA . LEU A 1 203 ? 48.369 -2.452 -11.225 1.00 52.00 ? 221 LEU A CA 1 +ATOM 1547 C C . LEU A 1 203 ? 47.028 -2.554 -11.939 1.00 51.52 ? 221 LEU A C 1 +ATOM 1548 O O . LEU A 1 203 ? 46.728 -3.575 -12.565 1.00 51.32 ? 221 LEU A O 1 +ATOM 1549 C CB . LEU A 1 203 ? 48.214 -2.939 -9.780 1.00 53.94 ? 221 LEU A CB 1 +ATOM 1550 C CG . LEU A 1 203 ? 49.476 -3.425 -9.057 1.00 56.89 ? 221 LEU A CG 1 +ATOM 1551 C CD1 . LEU A 1 203 ? 49.161 -3.638 -7.584 1.00 57.94 ? 221 LEU A CD1 1 +ATOM 1552 C CD2 . LEU A 1 203 ? 49.983 -4.725 -9.689 1.00 58.57 ? 221 LEU A CD2 1 +ATOM 1553 N N . LEU A 1 204 ? 46.227 -1.493 -11.847 1.00 50.48 ? 222 LEU A N 1 +ATOM 1554 C CA . LEU A 1 204 ? 44.916 -1.454 -12.487 1.00 49.77 ? 222 LEU A CA 1 +ATOM 1555 C C . LEU A 1 204 ? 44.985 -1.521 -14.012 1.00 48.21 ? 222 LEU A C 1 +ATOM 1556 O O . LEU A 1 204 ? 43.977 -1.781 -14.661 1.00 47.32 ? 222 LEU A O 1 +ATOM 1557 C CB . LEU A 1 204 ? 44.137 -0.209 -12.044 1.00 51.77 ? 222 LEU A CB 1 +ATOM 1558 C CG . LEU A 1 204 ? 43.374 -0.304 -10.710 1.00 53.82 ? 222 LEU A CG 1 +ATOM 1559 C CD1 . LEU A 1 204 ? 44.324 -0.507 -9.535 1.00 54.57 ? 222 LEU A CD1 1 +ATOM 1560 C CD2 . LEU A 1 204 ? 42.570 0.965 -10.510 1.00 54.40 ? 222 LEU A CD2 1 +ATOM 1561 N N . ILE A 1 205 ? 46.169 -1.291 -14.580 1.00 48.26 ? 223 ILE A N 1 +ATOM 1562 C CA . ILE A 1 205 ? 46.348 -1.370 -16.032 1.00 49.05 ? 223 ILE A CA 1 +ATOM 1563 C C . ILE A 1 205 ? 46.056 -2.813 -16.480 1.00 48.93 ? 223 ILE A C 1 +ATOM 1564 O O . ILE A 1 205 ? 45.578 -3.043 -17.587 1.00 48.48 ? 223 ILE A O 1 +ATOM 1565 C CB . ILE A 1 205 ? 47.792 -0.951 -16.447 1.00 48.98 ? 223 ILE A CB 1 +ATOM 1566 C CG1 . ILE A 1 205 ? 47.982 0.554 -16.224 1.00 47.30 ? 223 ILE A CG1 1 +ATOM 1567 C CG2 . ILE A 1 205 ? 48.043 -1.263 -17.923 1.00 49.09 ? 223 ILE A CG2 1 +ATOM 1568 C CD1 . ILE A 1 205 ? 49.426 1.024 -16.327 1.00 48.46 ? 223 ILE A CD1 1 +ATOM 1569 N N . ASP A 1 206 ? 46.327 -3.775 -15.598 1.00 50.08 ? 224 ASP A N 1 +ATOM 1570 C CA . ASP A 1 206 ? 46.079 -5.187 -15.875 1.00 50.31 ? 224 ASP A CA 1 +ATOM 1571 C C . ASP A 1 206 ? 44.587 -5.485 -15.995 1.00 49.00 ? 224 ASP A C 1 +ATOM 1572 O O . ASP A 1 206 ? 44.201 -6.514 -16.548 1.00 48.29 ? 224 ASP A O 1 +ATOM 1573 C CB . ASP A 1 206 ? 46.693 -6.058 -14.778 1.00 54.51 ? 224 ASP A CB 1 +ATOM 1574 C CG . ASP A 1 206 ? 48.211 -6.050 -14.814 1.00 58.28 ? 224 ASP A CG 1 +ATOM 1575 O OD1 . ASP A 1 206 ? 48.781 -6.438 -15.858 1.00 61.25 ? 224 ASP A OD1 1 +ATOM 1576 O OD2 . ASP A 1 206 ? 48.836 -5.658 -13.804 1.00 60.63 ? 224 ASP A OD2 1 +ATOM 1577 N N . CYS A 1 207 ? 43.756 -4.583 -15.477 1.00 47.96 ? 225 CYS A N 1 +ATOM 1578 C CA . CYS A 1 207 ? 42.303 -4.733 -15.544 1.00 47.23 ? 225 CYS A CA 1 +ATOM 1579 C C . CYS A 1 207 ? 41.756 -4.284 -16.896 1.00 45.28 ? 225 CYS A C 1 +ATOM 1580 O O . CYS A 1 207 ? 40.559 -4.413 -17.161 1.00 45.02 ? 225 CYS A O 1 +ATOM 1581 C CB . CYS A 1 207 ? 41.622 -3.919 -14.442 1.00 48.25 ? 225 CYS A CB 1 +ATOM 1582 S SG . CYS A 1 207 ? 42.082 -4.404 -12.777 1.00 52.06 ? 225 CYS A SG 1 +ATOM 1583 N N . PHE A 1 208 ? 42.634 -3.766 -17.751 1.00 43.02 ? 226 PHE A N 1 +ATOM 1584 C CA . PHE A 1 208 ? 42.222 -3.299 -19.071 1.00 42.30 ? 226 PHE A CA 1 +ATOM 1585 C C . PHE A 1 208 ? 43.056 -3.917 -20.207 1.00 42.77 ? 226 PHE A C 1 +ATOM 1586 O O . PHE A 1 208 ? 43.687 -3.193 -20.982 1.00 42.91 ? 226 PHE A O 1 +ATOM 1587 C CB . PHE A 1 208 ? 42.290 -1.759 -19.107 1.00 40.33 ? 226 PHE A CB 1 +ATOM 1588 C CG . PHE A 1 208 ? 41.369 -1.088 -18.115 1.00 36.04 ? 226 PHE A CG 1 +ATOM 1589 C CD1 . PHE A 1 208 ? 39.981 -1.087 -18.316 1.00 35.17 ? 226 PHE A CD1 1 +ATOM 1590 C CD2 . PHE A 1 208 ? 41.880 -0.496 -16.951 1.00 37.20 ? 226 PHE A CD2 1 +ATOM 1591 C CE1 . PHE A 1 208 ? 39.100 -0.511 -17.372 1.00 36.55 ? 226 PHE A CE1 1 +ATOM 1592 C CE2 . PHE A 1 208 ? 41.008 0.091 -15.985 1.00 35.64 ? 226 PHE A CE2 1 +ATOM 1593 C CZ . PHE A 1 208 ? 39.619 0.081 -16.199 1.00 33.81 ? 226 PHE A CZ 1 +ATOM 1594 N N . PRO A 1 209 ? 43.049 -5.268 -20.335 1.00 43.32 ? 227 PRO A N 1 +ATOM 1595 C CA . PRO A 1 209 ? 43.813 -5.969 -21.379 1.00 42.31 ? 227 PRO A CA 1 +ATOM 1596 C C . PRO A 1 209 ? 43.544 -5.538 -22.820 1.00 40.48 ? 227 PRO A C 1 +ATOM 1597 O O . PRO A 1 209 ? 44.481 -5.286 -23.576 1.00 40.12 ? 227 PRO A O 1 +ATOM 1598 C CB . PRO A 1 209 ? 43.432 -7.442 -21.163 1.00 42.63 ? 227 PRO A CB 1 +ATOM 1599 C CG . PRO A 1 209 ? 43.088 -7.505 -19.731 1.00 42.88 ? 227 PRO A CG 1 +ATOM 1600 C CD . PRO A 1 209 ? 42.297 -6.250 -19.524 1.00 42.05 ? 227 PRO A CD 1 +ATOM 1601 N N . GLY A 1 210 ? 42.267 -5.478 -23.194 1.00 40.71 ? 228 GLY A N 1 +ATOM 1602 C CA . GLY A 1 210 ? 41.882 -5.103 -24.550 1.00 40.68 ? 228 GLY A CA 1 +ATOM 1603 C C . GLY A 1 210 ? 42.293 -3.702 -24.964 1.00 41.86 ? 228 GLY A C 1 +ATOM 1604 O O . GLY A 1 210 ? 42.805 -3.501 -26.067 1.00 41.21 ? 228 GLY A O 1 +ATOM 1605 N N . THR A 1 211 ? 42.061 -2.741 -24.074 1.00 42.70 ? 229 THR A N 1 +ATOM 1606 C CA . THR A 1 211 ? 42.395 -1.338 -24.292 1.00 43.11 ? 229 THR A CA 1 +ATOM 1607 C C . THR A 1 211 ? 43.909 -1.198 -24.380 1.00 42.84 ? 229 THR A C 1 +ATOM 1608 O O . THR A 1 211 ? 44.422 -0.512 -25.267 1.00 41.63 ? 229 THR A O 1 +ATOM 1609 C CB . THR A 1 211 ? 41.870 -0.455 -23.126 1.00 43.99 ? 229 THR A CB 1 +ATOM 1610 O OG1 . THR A 1 211 ? 40.446 -0.569 -23.045 1.00 43.75 ? 229 THR A OG1 1 +ATOM 1611 C CG2 . THR A 1 211 ? 42.226 1.004 -23.345 1.00 43.92 ? 229 THR A CG2 1 +ATOM 1612 N N . HIS A 1 212 ? 44.608 -1.854 -23.453 1.00 43.14 ? 230 HIS A N 1 +ATOM 1613 C CA . HIS A 1 212 ? 46.072 -1.842 -23.405 1.00 45.07 ? 230 HIS A CA 1 +ATOM 1614 C C . HIS A 1 212 ? 46.624 -2.338 -24.740 1.00 45.66 ? 230 HIS A C 1 +ATOM 1615 O O . HIS A 1 212 ? 47.501 -1.698 -25.334 1.00 42.72 ? 230 HIS A O 1 +ATOM 1616 C CB . HIS A 1 212 ? 46.566 -2.742 -22.255 1.00 46.81 ? 230 HIS A CB 1 +ATOM 1617 C CG . HIS A 1 212 ? 48.059 -2.803 -22.113 1.00 48.64 ? 230 HIS A CG 1 +ATOM 1618 N ND1 . HIS A 1 212 ? 48.877 -3.397 -23.050 1.00 52.17 ? 230 HIS A ND1 1 +ATOM 1619 C CD2 . HIS A 1 212 ? 48.878 -2.360 -21.130 1.00 50.35 ? 230 HIS A CD2 1 +ATOM 1620 C CE1 . HIS A 1 212 ? 50.135 -3.315 -22.651 1.00 51.52 ? 230 HIS A CE1 1 +ATOM 1621 N NE2 . HIS A 1 212 ? 50.163 -2.690 -21.489 1.00 50.73 ? 230 HIS A NE2 1 +ATOM 1622 N N . ASN A 1 213 ? 46.100 -3.473 -25.206 1.00 46.19 ? 231 ASN A N 1 +ATOM 1623 C CA . ASN A 1 213 ? 46.545 -4.056 -26.468 1.00 47.34 ? 231 ASN A CA 1 +ATOM 1624 C C . ASN A 1 213 ? 46.198 -3.180 -27.664 1.00 46.94 ? 231 ASN A C 1 +ATOM 1625 O O . ASN A 1 213 ? 47.017 -3.032 -28.575 1.00 45.43 ? 231 ASN A O 1 +ATOM 1626 C CB . ASN A 1 213 ? 45.958 -5.460 -26.666 1.00 49.13 ? 231 ASN A CB 1 +ATOM 1627 C CG . ASN A 1 213 ? 46.605 -6.501 -25.757 1.00 53.17 ? 231 ASN A CG 1 +ATOM 1628 O OD1 . ASN A 1 213 ? 47.717 -6.302 -25.250 1.00 55.02 ? 231 ASN A OD1 1 +ATOM 1629 N ND2 . ASN A 1 213 ? 45.919 -7.625 -25.563 1.00 53.66 ? 231 ASN A ND2 1 +ATOM 1630 N N . LYS A 1 214 ? 44.996 -2.603 -27.659 1.00 45.36 ? 232 LYS A N 1 +ATOM 1631 C CA . LYS A 1 214 ? 44.557 -1.732 -28.748 1.00 46.45 ? 232 LYS A CA 1 +ATOM 1632 C C . LYS A 1 214 ? 45.534 -0.560 -28.912 1.00 45.96 ? 232 LYS A C 1 +ATOM 1633 O O . LYS A 1 214 ? 46.020 -0.305 -30.013 1.00 45.55 ? 232 LYS A O 1 +ATOM 1634 C CB . LYS A 1 214 ? 43.136 -1.222 -28.476 1.00 47.30 ? 232 LYS A CB 1 +ATOM 1635 C CG . LYS A 1 214 ? 42.630 -0.151 -29.448 1.00 52.84 ? 232 LYS A CG 1 +ATOM 1636 C CD . LYS A 1 214 ? 41.443 -0.629 -30.281 1.00 56.99 ? 232 LYS A CD 1 +ATOM 1637 C CE . LYS A 1 214 ? 41.871 -1.513 -31.454 1.00 59.67 ? 232 LYS A CE 1 +ATOM 1638 N NZ . LYS A 1 214 ? 42.619 -0.738 -32.489 1.00 61.75 ? 232 LYS A NZ 1 +ATOM 1639 N N . VAL A 1 215 ? 45.829 0.123 -27.805 1.00 45.85 ? 233 VAL A N 1 +ATOM 1640 C CA . VAL A 1 215 ? 46.750 1.261 -27.790 1.00 45.95 ? 233 VAL A CA 1 +ATOM 1641 C C . VAL A 1 215 ? 48.127 0.879 -28.321 1.00 46.59 ? 233 VAL A C 1 +ATOM 1642 O O . VAL A 1 215 ? 48.672 1.562 -29.185 1.00 46.16 ? 233 VAL A O 1 +ATOM 1643 C CB . VAL A 1 215 ? 46.916 1.836 -26.348 1.00 44.59 ? 233 VAL A CB 1 +ATOM 1644 C CG1 . VAL A 1 215 ? 48.016 2.897 -26.315 1.00 42.71 ? 233 VAL A CG1 1 +ATOM 1645 C CG2 . VAL A 1 215 ? 45.602 2.433 -25.875 1.00 42.35 ? 233 VAL A CG2 1 +ATOM 1646 N N . LEU A 1 216 ? 48.678 -0.211 -27.792 1.00 48.20 ? 234 LEU A N 1 +ATOM 1647 C CA . LEU A 1 216 ? 49.992 -0.709 -28.190 1.00 50.09 ? 234 LEU A CA 1 +ATOM 1648 C C . LEU A 1 216 ? 50.031 -1.047 -29.683 1.00 49.72 ? 234 LEU A C 1 +ATOM 1649 O O . LEU A 1 216 ? 50.985 -0.701 -30.375 1.00 48.49 ? 234 LEU A O 1 +ATOM 1650 C CB . LEU A 1 216 ? 50.333 -1.952 -27.365 1.00 53.97 ? 234 LEU A CB 1 +ATOM 1651 C CG . LEU A 1 216 ? 51.789 -2.378 -27.141 1.00 58.45 ? 234 LEU A CG 1 +ATOM 1652 C CD1 . LEU A 1 216 ? 51.805 -3.396 -26.005 1.00 61.82 ? 234 LEU A CD1 1 +ATOM 1653 C CD2 . LEU A 1 216 ? 52.419 -2.967 -28.404 1.00 61.76 ? 234 LEU A CD2 1 +ATOM 1654 N N . LYS A 1 217 ? 48.986 -1.716 -30.166 1.00 49.76 ? 235 LYS A N 1 +ATOM 1655 C CA . LYS A 1 217 ? 48.883 -2.120 -31.566 1.00 50.53 ? 235 LYS A CA 1 +ATOM 1656 C C . LYS A 1 217 ? 48.898 -0.911 -32.500 1.00 50.02 ? 235 LYS A C 1 +ATOM 1657 O O . LYS A 1 217 ? 49.660 -0.887 -33.466 1.00 49.28 ? 235 LYS A O 1 +ATOM 1658 C CB . LYS A 1 217 ? 47.602 -2.932 -31.786 1.00 52.95 ? 235 LYS A CB 1 +ATOM 1659 C CG . LYS A 1 217 ? 47.416 -3.466 -33.201 1.00 57.11 ? 235 LYS A CG 1 +ATOM 1660 C CD . LYS A 1 217 ? 46.059 -4.142 -33.353 1.00 59.61 ? 235 LYS A CD 1 +ATOM 1661 C CE . LYS A 1 217 ? 45.832 -4.623 -34.782 1.00 62.02 ? 235 LYS A CE 1 +ATOM 1662 N NZ . LYS A 1 217 ? 44.446 -5.140 -34.982 1.00 63.46 ? 235 LYS A NZ 1 +ATOM 1663 N N . ASN A 1 218 ? 48.066 0.088 -32.206 1.00 48.40 ? 236 ASN A N 1 +ATOM 1664 C CA . ASN A 1 218 ? 48.009 1.284 -33.040 1.00 47.62 ? 236 ASN A CA 1 +ATOM 1665 C C . ASN A 1 218 ? 49.339 2.025 -33.043 1.00 47.03 ? 236 ASN A C 1 +ATOM 1666 O O . ASN A 1 218 ? 49.764 2.516 -34.082 1.00 48.19 ? 236 ASN A O 1 +ATOM 1667 C CB . ASN A 1 218 ? 46.877 2.218 -32.591 1.00 45.77 ? 236 ASN A CB 1 +ATOM 1668 C CG . ASN A 1 218 ? 45.496 1.660 -32.916 1.00 46.54 ? 236 ASN A CG 1 +ATOM 1669 O OD1 . ASN A 1 218 ? 45.335 0.879 -33.857 1.00 47.07 ? 236 ASN A OD1 1 +ATOM 1670 N ND2 . ASN A 1 218 ? 44.493 2.071 -32.149 1.00 44.18 ? 236 ASN A ND2 1 +ATOM 1671 N N . VAL A 1 219 ? 50.001 2.093 -31.890 1.00 46.62 ? 237 VAL A N 1 +ATOM 1672 C CA . VAL A 1 219 ? 51.295 2.763 -31.795 1.00 46.59 ? 237 VAL A CA 1 +ATOM 1673 C C . VAL A 1 219 ? 52.343 2.001 -32.610 1.00 47.50 ? 237 VAL A C 1 +ATOM 1674 O O . VAL A 1 219 ? 53.210 2.611 -33.237 1.00 46.21 ? 237 VAL A O 1 +ATOM 1675 C CB . VAL A 1 219 ? 51.771 2.881 -30.322 1.00 46.61 ? 237 VAL A CB 1 +ATOM 1676 C CG1 . VAL A 1 219 ? 53.176 3.474 -30.256 1.00 46.61 ? 237 VAL A CG1 1 +ATOM 1677 C CG2 . VAL A 1 219 ? 50.822 3.772 -29.547 1.00 47.08 ? 237 VAL A CG2 1 +ATOM 1678 N N . ALA A 1 220 ? 52.257 0.673 -32.599 1.00 47.45 ? 238 ALA A N 1 +ATOM 1679 C CA . ALA A 1 220 ? 53.193 -0.164 -33.342 1.00 49.76 ? 238 ALA A CA 1 +ATOM 1680 C C . ALA A 1 220 ? 53.015 0.047 -34.845 1.00 50.42 ? 238 ALA A C 1 +ATOM 1681 O O . ALA A 1 220 ? 53.993 0.243 -35.568 1.00 50.38 ? 238 ALA A O 1 +ATOM 1682 C CB . ALA A 1 220 ? 52.984 -1.636 -32.984 1.00 48.81 ? 238 ALA A CB 1 +ATOM 1683 N N . LEU A 1 221 ? 51.762 0.015 -35.298 1.00 50.90 ? 239 LEU A N 1 +ATOM 1684 C CA . LEU A 1 221 ? 51.426 0.205 -36.705 1.00 52.00 ? 239 LEU A CA 1 +ATOM 1685 C C . LEU A 1 221 ? 51.786 1.599 -37.217 1.00 52.67 ? 239 LEU A C 1 +ATOM 1686 O O . LEU A 1 221 ? 52.290 1.744 -38.329 1.00 53.19 ? 239 LEU A O 1 +ATOM 1687 C CB . LEU A 1 221 ? 49.933 -0.049 -36.929 1.00 52.14 ? 239 LEU A CB 1 +ATOM 1688 C CG . LEU A 1 221 ? 49.414 -1.476 -36.739 1.00 52.29 ? 239 LEU A CG 1 +ATOM 1689 C CD1 . LEU A 1 221 ? 47.896 -1.467 -36.816 1.00 50.58 ? 239 LEU A CD1 1 +ATOM 1690 C CD2 . LEU A 1 221 ? 50.006 -2.402 -37.799 1.00 51.68 ? 239 LEU A CD2 1 +ATOM 1691 N N . THR A 1 222 ? 51.517 2.620 -36.411 1.00 53.31 ? 240 THR A N 1 +ATOM 1692 C CA . THR A 1 222 ? 51.830 3.992 -36.783 1.00 54.53 ? 240 THR A CA 1 +ATOM 1693 C C . THR A 1 222 ? 53.350 4.154 -36.865 1.00 55.84 ? 240 THR A C 1 +ATOM 1694 O O . THR A 1 222 ? 53.861 4.862 -37.733 1.00 55.64 ? 240 THR A O 1 +ATOM 1695 C CB . THR A 1 222 ? 51.244 4.993 -35.754 1.00 53.78 ? 240 THR A CB 1 +ATOM 1696 O OG1 . THR A 1 222 ? 49.814 4.932 -35.800 1.00 54.33 ? 240 THR A OG1 1 +ATOM 1697 C CG2 . THR A 1 222 ? 51.680 6.419 -36.063 1.00 54.13 ? 240 THR A CG2 1 +ATOM 1698 N N . ARG A 1 223 ? 54.057 3.475 -35.963 1.00 56.62 ? 241 ARG A N 1 +ATOM 1699 C CA . ARG A 1 223 ? 55.513 3.513 -35.899 1.00 58.29 ? 241 ARG A CA 1 +ATOM 1700 C C . ARG A 1 223 ? 56.135 2.939 -37.172 1.00 58.85 ? 241 ARG A C 1 +ATOM 1701 O O . ARG A 1 223 ? 57.030 3.550 -37.759 1.00 59.03 ? 241 ARG A O 1 +ATOM 1702 C CB . ARG A 1 223 ? 56.000 2.722 -34.679 1.00 60.48 ? 241 ARG A CB 1 +ATOM 1703 C CG . ARG A 1 223 ? 57.427 3.023 -34.236 1.00 63.78 ? 241 ARG A CG 1 +ATOM 1704 C CD . ARG A 1 223 ? 57.470 3.471 -32.772 1.00 66.46 ? 241 ARG A CD 1 +ATOM 1705 N NE . ARG A 1 223 ? 57.068 2.408 -31.849 1.00 69.24 ? 241 ARG A NE 1 +ATOM 1706 C CZ . ARG A 1 223 ? 56.812 2.581 -30.552 1.00 70.69 ? 241 ARG A CZ 1 +ATOM 1707 N NH1 . ARG A 1 223 ? 56.908 3.784 -29.996 1.00 70.92 ? 241 ARG A NH1 1 +ATOM 1708 N NH2 . ARG A 1 223 ? 56.459 1.542 -29.804 1.00 72.16 ? 241 ARG A NH2 1 +ATOM 1709 N N . SER A 1 224 ? 55.655 1.773 -37.603 1.00 58.74 ? 242 SER A N 1 +ATOM 1710 C CA . SER A 1 224 ? 56.187 1.141 -38.805 1.00 58.92 ? 242 SER A CA 1 +ATOM 1711 C C . SER A 1 224 ? 55.831 1.948 -40.053 1.00 58.40 ? 242 SER A C 1 +ATOM 1712 O O . SER A 1 224 ? 56.586 1.948 -41.027 1.00 58.75 ? 242 SER A O 1 +ATOM 1713 C CB . SER A 1 224 ? 55.669 -0.297 -38.943 1.00 58.40 ? 242 SER A CB 1 +ATOM 1714 O OG . SER A 1 224 ? 54.314 -0.324 -39.353 1.00 60.78 ? 242 SER A OG 1 +ATOM 1715 N N . TYR A 1 225 ? 54.689 2.632 -40.021 1.00 56.56 ? 243 TYR A N 1 +ATOM 1716 C CA . TYR A 1 225 ? 54.262 3.446 -41.155 1.00 56.12 ? 243 TYR A CA 1 +ATOM 1717 C C . TYR A 1 225 ? 55.212 4.632 -41.322 1.00 55.83 ? 243 TYR A C 1 +ATOM 1718 O O . TYR A 1 225 ? 55.633 4.945 -42.436 1.00 55.70 ? 243 TYR A O 1 +ATOM 1719 C CB . TYR A 1 225 ? 52.831 3.964 -40.957 1.00 56.67 ? 243 TYR A CB 1 +ATOM 1720 C CG . TYR A 1 225 ? 52.319 4.764 -42.138 1.00 57.44 ? 243 TYR A CG 1 +ATOM 1721 C CD1 . TYR A 1 225 ? 51.966 4.125 -43.341 1.00 58.26 ? 243 TYR A CD1 1 +ATOM 1722 C CD2 . TYR A 1 225 ? 52.252 6.168 -42.085 1.00 57.99 ? 243 TYR A CD2 1 +ATOM 1723 C CE1 . TYR A 1 225 ? 51.563 4.865 -44.471 1.00 59.42 ? 243 TYR A CE1 1 +ATOM 1724 C CE2 . TYR A 1 225 ? 51.850 6.924 -43.212 1.00 59.69 ? 243 TYR A CE2 1 +ATOM 1725 C CZ . TYR A 1 225 ? 51.510 6.262 -44.399 1.00 60.95 ? 243 TYR A CZ 1 +ATOM 1726 O OH . TYR A 1 225 ? 51.133 6.981 -45.510 1.00 62.57 ? 243 TYR A OH 1 +ATOM 1727 N N . ILE A 1 226 ? 55.538 5.289 -40.210 1.00 54.69 ? 244 ILE A N 1 +ATOM 1728 C CA . ILE A 1 226 ? 56.444 6.428 -40.229 1.00 54.16 ? 244 ILE A CA 1 +ATOM 1729 C C . ILE A 1 226 ? 57.828 5.950 -40.679 1.00 56.75 ? 244 ILE A C 1 +ATOM 1730 O O . ILE A 1 226 ? 58.528 6.665 -41.397 1.00 56.18 ? 244 ILE A O 1 +ATOM 1731 C CB . ILE A 1 226 ? 56.526 7.106 -38.829 1.00 51.90 ? 244 ILE A CB 1 +ATOM 1732 C CG1 . ILE A 1 226 ? 55.148 7.661 -38.437 1.00 49.84 ? 244 ILE A CG1 1 +ATOM 1733 C CG2 . ILE A 1 226 ? 57.547 8.248 -38.846 1.00 50.94 ? 244 ILE A CG2 1 +ATOM 1734 C CD1 . ILE A 1 226 ? 55.062 8.241 -37.017 1.00 45.57 ? 244 ILE A CD1 1 +ATOM 1735 N N . ARG A 1 227 ? 58.206 4.736 -40.273 1.00 59.08 ? 245 ARG A N 1 +ATOM 1736 C CA . ARG A 1 227 ? 59.496 4.161 -40.653 1.00 62.10 ? 245 ARG A CA 1 +ATOM 1737 C C . ARG A 1 227 ? 59.565 3.810 -42.139 1.00 62.57 ? 245 ARG A C 1 +ATOM 1738 O O . ARG A 1 227 ? 60.631 3.888 -42.743 1.00 62.63 ? 245 ARG A O 1 +ATOM 1739 C CB . ARG A 1 227 ? 59.818 2.918 -39.812 1.00 63.59 ? 245 ARG A CB 1 +ATOM 1740 C CG . ARG A 1 227 ? 60.584 3.228 -38.530 1.00 66.47 ? 245 ARG A CG 1 +ATOM 1741 C CD . ARG A 1 227 ? 61.292 1.994 -37.980 1.00 69.64 ? 245 ARG A CD 1 +ATOM 1742 N NE . ARG A 1 227 ? 60.375 1.043 -37.350 1.00 71.98 ? 245 ARG A NE 1 +ATOM 1743 C CZ . ARG A 1 227 ? 60.002 1.077 -36.071 1.00 73.41 ? 245 ARG A CZ 1 +ATOM 1744 N NH1 . ARG A 1 227 ? 60.465 2.018 -35.251 1.00 73.64 ? 245 ARG A NH1 1 +ATOM 1745 N NH2 . ARG A 1 227 ? 59.160 0.160 -35.608 1.00 73.34 ? 245 ARG A NH2 1 +ATOM 1746 N N . GLU A 1 228 ? 58.436 3.422 -42.724 1.00 63.76 ? 246 GLU A N 1 +ATOM 1747 C CA . GLU A 1 228 ? 58.394 3.096 -44.146 1.00 66.28 ? 246 GLU A CA 1 +ATOM 1748 C C . GLU A 1 228 ? 58.487 4.392 -44.945 1.00 66.71 ? 246 GLU A C 1 +ATOM 1749 O O . GLU A 1 228 ? 59.077 4.429 -46.027 1.00 67.50 ? 246 GLU A O 1 +ATOM 1750 C CB . GLU A 1 228 ? 57.097 2.357 -44.502 1.00 68.23 ? 246 GLU A CB 1 +ATOM 1751 C CG . GLU A 1 228 ? 57.048 0.905 -44.029 1.00 72.32 ? 246 GLU A CG 1 +ATOM 1752 C CD . GLU A 1 228 ? 55.792 0.167 -44.486 1.00 74.55 ? 246 GLU A CD 1 +ATOM 1753 O OE1 . GLU A 1 228 ? 54.680 0.517 -44.027 1.00 74.82 ? 246 GLU A OE1 1 +ATOM 1754 O OE2 . GLU A 1 228 ? 55.923 -0.767 -45.308 1.00 75.77 ? 246 GLU A OE2 1 +ATOM 1755 N N . LYS A 1 229 ? 57.911 5.456 -44.394 1.00 66.70 ? 247 LYS A N 1 +ATOM 1756 C CA . LYS A 1 229 ? 57.919 6.763 -45.035 1.00 67.06 ? 247 LYS A CA 1 +ATOM 1757 C C . LYS A 1 229 ? 59.316 7.380 -45.002 1.00 67.22 ? 247 LYS A C 1 +ATOM 1758 O O . LYS A 1 229 ? 59.759 7.956 -45.994 1.00 66.99 ? 247 LYS A O 1 +ATOM 1759 C CB . LYS A 1 229 ? 56.922 7.697 -44.342 1.00 67.32 ? 247 LYS A CB 1 +ATOM 1760 C CG . LYS A 1 229 ? 56.034 8.500 -45.292 1.00 67.83 ? 247 LYS A CG 1 +ATOM 1761 C CD . LYS A 1 229 ? 54.959 7.632 -45.936 1.00 68.28 ? 247 LYS A CD 1 +ATOM 1762 C CE . LYS A 1 229 ? 53.994 8.455 -46.784 1.00 69.17 ? 247 LYS A CE 1 +ATOM 1763 N NZ . LYS A 1 229 ? 54.629 9.047 -47.995 1.00 70.57 ? 247 LYS A NZ 1 +ATOM 1764 N N . VAL A 1 230 ? 60.009 7.253 -43.871 1.00 67.24 ? 248 VAL A N 1 +ATOM 1765 C CA . VAL A 1 230 ? 61.352 7.810 -43.733 1.00 67.71 ? 248 VAL A CA 1 +ATOM 1766 C C . VAL A 1 230 ? 62.361 7.097 -44.651 1.00 68.11 ? 248 VAL A C 1 +ATOM 1767 O O . VAL A 1 230 ? 63.285 7.733 -45.164 1.00 67.16 ? 248 VAL A O 1 +ATOM 1768 C CB . VAL A 1 230 ? 61.834 7.791 -42.234 1.00 67.91 ? 248 VAL A CB 1 +ATOM 1769 C CG1 . VAL A 1 230 ? 61.997 6.374 -41.728 1.00 69.21 ? 248 VAL A CG1 1 +ATOM 1770 C CG2 . VAL A 1 230 ? 63.141 8.547 -42.092 1.00 68.31 ? 248 VAL A CG2 1 +ATOM 1771 N N . LYS A 1 231 ? 62.175 5.793 -44.868 1.00 68.02 ? 249 LYS A N 1 +ATOM 1772 C CA . LYS A 1 231 ? 63.061 5.033 -45.752 1.00 68.44 ? 249 LYS A CA 1 +ATOM 1773 C C . LYS A 1 231 ? 62.920 5.560 -47.180 1.00 67.74 ? 249 LYS A C 1 +ATOM 1774 O O . LYS A 1 231 ? 63.893 5.598 -47.937 1.00 67.44 ? 249 LYS A O 1 +ATOM 1775 C CB . LYS A 1 231 ? 62.732 3.537 -45.705 1.00 69.84 ? 249 LYS A CB 1 +ATOM 1776 C CG . LYS A 1 231 ? 63.194 2.847 -44.427 1.00 71.82 ? 249 LYS A CG 1 +ATOM 1777 C CD . LYS A 1 231 ? 63.093 1.333 -44.530 1.00 73.65 ? 249 LYS A CD 1 +ATOM 1778 C CE . LYS A 1 231 ? 63.710 0.659 -43.306 1.00 75.94 ? 249 LYS A CE 1 +ATOM 1779 N NZ . LYS A 1 231 ? 63.786 -0.829 -43.436 1.00 76.09 ? 249 LYS A NZ 1 +ATOM 1780 N N . GLU A 1 232 ? 61.702 5.972 -47.532 1.00 66.80 ? 250 GLU A N 1 +ATOM 1781 C CA . GLU A 1 232 ? 61.416 6.537 -48.845 1.00 66.44 ? 250 GLU A CA 1 +ATOM 1782 C C . GLU A 1 232 ? 62.172 7.858 -49.001 1.00 65.86 ? 250 GLU A C 1 +ATOM 1783 O O . GLU A 1 232 ? 62.732 8.140 -50.060 1.00 66.49 ? 250 GLU A O 1 +ATOM 1784 C CB . GLU A 1 232 ? 59.915 6.789 -49.004 1.00 67.64 ? 250 GLU A CB 1 +ATOM 1785 C CG . GLU A 1 232 ? 59.079 5.539 -49.219 1.00 70.96 ? 250 GLU A CG 1 +ATOM 1786 C CD . GLU A 1 232 ? 57.584 5.819 -49.191 1.00 72.15 ? 250 GLU A CD 1 +ATOM 1787 O OE1 . GLU A 1 232 ? 57.138 6.774 -49.865 1.00 72.95 ? 250 GLU A OE1 1 +ATOM 1788 O OE2 . GLU A 1 232 ? 56.853 5.077 -48.499 1.00 73.56 ? 250 GLU A OE2 1 +ATOM 1789 N N . HIS A 1 233 ? 62.181 8.661 -47.938 1.00 64.21 ? 251 HIS A N 1 +ATOM 1790 C CA . HIS A 1 233 ? 62.870 9.944 -47.947 1.00 63.53 ? 251 HIS A CA 1 +ATOM 1791 C C . HIS A 1 233 ? 64.378 9.755 -48.077 1.00 64.23 ? 251 HIS A C 1 +ATOM 1792 O O . HIS A 1 233 ? 65.032 10.488 -48.814 1.00 64.62 ? 251 HIS A O 1 +ATOM 1793 C CB . HIS A 1 233 ? 62.553 10.739 -46.674 1.00 60.87 ? 251 HIS A CB 1 +ATOM 1794 C CG . HIS A 1 233 ? 61.187 11.354 -46.667 1.00 59.83 ? 251 HIS A CG 1 +ATOM 1795 N ND1 . HIS A 1 233 ? 60.031 10.605 -46.721 1.00 58.37 ? 251 HIS A ND1 1 +ATOM 1796 C CD2 . HIS A 1 233 ? 60.792 12.649 -46.631 1.00 58.62 ? 251 HIS A CD2 1 +ATOM 1797 C CE1 . HIS A 1 233 ? 58.985 11.410 -46.721 1.00 58.03 ? 251 HIS A CE1 1 +ATOM 1798 N NE2 . HIS A 1 233 ? 59.419 12.656 -46.667 1.00 57.55 ? 251 HIS A NE2 1 +ATOM 1799 N N . GLN A 1 234 ? 64.918 8.762 -47.372 1.00 65.18 ? 252 GLN A N 1 +ATOM 1800 C CA . GLN A 1 234 ? 66.350 8.466 -47.402 1.00 65.87 ? 252 GLN A CA 1 +ATOM 1801 C C . GLN A 1 234 ? 66.856 8.150 -48.812 1.00 65.57 ? 252 GLN A C 1 +ATOM 1802 O O . GLN A 1 234 ? 67.972 8.529 -49.174 1.00 65.48 ? 252 GLN A O 1 +ATOM 1803 C CB . GLN A 1 234 ? 66.670 7.292 -46.465 1.00 66.14 ? 252 GLN A CB 1 +ATOM 1804 C CG . GLN A 1 234 ? 66.541 7.614 -44.974 1.00 67.49 ? 252 GLN A CG 1 +ATOM 1805 C CD . GLN A 1 234 ? 66.696 6.388 -44.074 1.00 67.30 ? 252 GLN A CD 1 +ATOM 1806 O OE1 . GLN A 1 234 ? 65.979 5.397 -44.227 1.00 67.08 ? 252 GLN A OE1 1 +ATOM 1807 N NE2 . GLN A 1 234 ? 67.628 6.459 -43.127 1.00 67.27 ? 252 GLN A NE2 1 +ATOM 1808 N N . ALA A 1 235 ? 66.027 7.474 -49.604 1.00 64.80 ? 253 ALA A N 1 +ATOM 1809 C CA . ALA A 1 235 ? 66.388 7.094 -50.969 1.00 64.58 ? 253 ALA A CA 1 +ATOM 1810 C C . ALA A 1 235 ? 66.009 8.129 -52.035 1.00 63.95 ? 253 ALA A C 1 +ATOM 1811 O O . ALA A 1 235 ? 65.969 7.812 -53.226 1.00 63.83 ? 253 ALA A O 1 +ATOM 1812 C CB . ALA A 1 235 ? 65.756 5.738 -51.307 1.00 64.64 ? 253 ALA A CB 1 +ATOM 1813 N N . SER A 1 236 ? 65.744 9.363 -51.611 1.00 63.08 ? 254 SER A N 1 +ATOM 1814 C CA . SER A 1 236 ? 65.369 10.436 -52.535 1.00 61.68 ? 254 SER A CA 1 +ATOM 1815 C C . SER A 1 236 ? 65.721 11.805 -51.959 1.00 60.41 ? 254 SER A C 1 +ATOM 1816 O O . SER A 1 236 ? 65.229 12.839 -52.424 1.00 60.09 ? 254 SER A O 1 +ATOM 1817 C CB . SER A 1 236 ? 63.865 10.373 -52.821 1.00 62.12 ? 254 SER A CB 1 +ATOM 1818 O OG . SER A 1 236 ? 63.116 10.508 -51.623 1.00 63.80 ? 254 SER A OG 1 +ATOM 1819 N N . LEU A 1 237 ? 66.590 11.803 -50.955 1.00 58.85 ? 255 LEU A N 1 +ATOM 1820 C CA . LEU A 1 237 ? 66.997 13.029 -50.286 1.00 58.46 ? 255 LEU A CA 1 +ATOM 1821 C C . LEU A 1 237 ? 67.947 13.933 -51.071 1.00 57.85 ? 255 LEU A C 1 +ATOM 1822 O O . LEU A 1 237 ? 68.978 13.495 -51.587 1.00 58.61 ? 255 LEU A O 1 +ATOM 1823 C CB . LEU A 1 237 ? 67.620 12.689 -48.927 1.00 58.14 ? 255 LEU A CB 1 +ATOM 1824 C CG . LEU A 1 237 ? 68.183 13.830 -48.070 1.00 58.72 ? 255 LEU A CG 1 +ATOM 1825 C CD1 . LEU A 1 237 ? 67.080 14.817 -47.698 1.00 57.96 ? 255 LEU A CD1 1 +ATOM 1826 C CD2 . LEU A 1 237 ? 68.823 13.240 -46.821 1.00 58.41 ? 255 LEU A CD2 1 +ATOM 1827 N N . ASP A 1 238 ? 67.574 15.204 -51.145 1.00 55.94 ? 256 ASP A N 1 +ATOM 1828 C CA . ASP A 1 238 ? 68.365 16.227 -51.806 1.00 54.77 ? 256 ASP A CA 1 +ATOM 1829 C C . ASP A 1 238 ? 68.710 17.215 -50.695 1.00 53.02 ? 256 ASP A C 1 +ATOM 1830 O O . ASP A 1 238 ? 67.863 17.999 -50.274 1.00 52.00 ? 256 ASP A O 1 +ATOM 1831 C CB . ASP A 1 238 ? 67.541 16.910 -52.907 1.00 54.99 ? 256 ASP A CB 1 +ATOM 1832 C CG . ASP A 1 238 ? 68.311 18.017 -53.632 1.00 56.77 ? 256 ASP A CG 1 +ATOM 1833 O OD1 . ASP A 1 238 ? 67.731 18.612 -54.568 1.00 57.00 ? 256 ASP A OD1 1 +ATOM 1834 O OD2 . ASP A 1 238 ? 69.480 18.299 -53.278 1.00 55.62 ? 256 ASP A OD2 1 +ATOM 1835 N N . VAL A 1 239 ? 69.952 17.159 -50.220 1.00 52.17 ? 257 VAL A N 1 +ATOM 1836 C CA . VAL A 1 239 ? 70.423 18.033 -49.146 1.00 52.17 ? 257 VAL A CA 1 +ATOM 1837 C C . VAL A 1 239 ? 70.209 19.531 -49.418 1.00 53.21 ? 257 VAL A C 1 +ATOM 1838 O O . VAL A 1 239 ? 69.986 20.309 -48.483 1.00 53.14 ? 257 VAL A O 1 +ATOM 1839 C CB . VAL A 1 239 ? 71.933 17.750 -48.825 1.00 53.55 ? 257 VAL A CB 1 +ATOM 1840 C CG1 . VAL A 1 239 ? 72.801 17.975 -50.061 1.00 52.90 ? 257 VAL A CG1 1 +ATOM 1841 C CG2 . VAL A 1 239 ? 72.408 18.623 -47.661 1.00 54.96 ? 257 VAL A CG2 1 +ATOM 1842 N N . ASN A 1 240 ? 70.263 19.933 -50.687 1.00 52.61 ? 258 ASN A N 1 +ATOM 1843 C CA . ASN A 1 240 ? 70.070 21.338 -51.037 1.00 52.54 ? 258 ASN A CA 1 +ATOM 1844 C C . ASN A 1 240 ? 68.603 21.731 -51.088 1.00 51.90 ? 258 ASN A C 1 +ATOM 1845 O O . ASN A 1 240 ? 68.273 22.907 -50.952 1.00 53.39 ? 258 ASN A O 1 +ATOM 1846 C CB . ASN A 1 240 ? 70.723 21.661 -52.386 1.00 52.01 ? 258 ASN A CB 1 +ATOM 1847 C CG . ASN A 1 240 ? 72.232 21.588 -52.334 1.00 51.40 ? 258 ASN A CG 1 +ATOM 1848 O OD1 . ASN A 1 240 ? 72.862 22.168 -51.447 1.00 48.12 ? 258 ASN A OD1 1 +ATOM 1849 N ND2 . ASN A 1 240 ? 72.824 20.881 -53.291 1.00 49.44 ? 258 ASN A ND2 1 +ATOM 1850 N N . ASN A 1 241 ? 67.725 20.753 -51.288 1.00 51.07 ? 259 ASN A N 1 +ATOM 1851 C CA . ASN A 1 241 ? 66.300 21.034 -51.357 1.00 51.16 ? 259 ASN A CA 1 +ATOM 1852 C C . ASN A 1 241 ? 65.444 20.218 -50.378 1.00 49.55 ? 259 ASN A C 1 +ATOM 1853 O O . ASN A 1 241 ? 64.819 19.220 -50.763 1.00 48.32 ? 259 ASN A O 1 +ATOM 1854 C CB . ASN A 1 241 ? 65.812 20.846 -52.796 1.00 52.74 ? 259 ASN A CB 1 +ATOM 1855 C CG . ASN A 1 241 ? 66.369 21.902 -53.737 1.00 55.32 ? 259 ASN A CG 1 +ATOM 1856 O OD1 . ASN A 1 241 ? 65.998 23.077 -53.663 1.00 56.18 ? 259 ASN A OD1 1 +ATOM 1857 N ND2 . ASN A 1 241 ? 67.276 21.493 -54.617 1.00 55.09 ? 259 ASN A ND2 1 +ATOM 1858 N N . PRO A 1 242 ? 65.416 20.629 -49.091 1.00 48.48 ? 260 PRO A N 1 +ATOM 1859 C CA . PRO A 1 242 ? 64.616 19.917 -48.082 1.00 47.61 ? 260 PRO A CA 1 +ATOM 1860 C C . PRO A 1 242 ? 63.139 20.090 -48.426 1.00 46.88 ? 260 PRO A C 1 +ATOM 1861 O O . PRO A 1 242 ? 62.689 21.198 -48.719 1.00 47.09 ? 260 PRO A O 1 +ATOM 1862 C CB . PRO A 1 242 ? 64.978 20.627 -46.778 1.00 47.66 ? 260 PRO A CB 1 +ATOM 1863 C CG . PRO A 1 242 ? 66.344 21.187 -47.045 1.00 48.76 ? 260 PRO A CG 1 +ATOM 1864 C CD . PRO A 1 242 ? 66.212 21.697 -48.457 1.00 46.88 ? 260 PRO A CD 1 +ATOM 1865 N N . ARG A 1 243 ? 62.398 18.990 -48.401 1.00 47.63 ? 261 ARG A N 1 +ATOM 1866 C CA . ARG A 1 243 ? 60.973 19.000 -48.721 1.00 47.41 ? 261 ARG A CA 1 +ATOM 1867 C C . ARG A 1 243 ? 60.088 19.115 -47.476 1.00 47.59 ? 261 ARG A C 1 +ATOM 1868 O O . ARG A 1 243 ? 59.035 19.763 -47.508 1.00 47.66 ? 261 ARG A O 1 +ATOM 1869 C CB . ARG A 1 243 ? 60.597 17.708 -49.459 1.00 48.87 ? 261 ARG A CB 1 +ATOM 1870 C CG . ARG A 1 243 ? 61.283 17.481 -50.802 1.00 49.01 ? 261 ARG A CG 1 +ATOM 1871 C CD . ARG A 1 243 ? 61.116 16.036 -51.278 1.00 50.99 ? 261 ARG A CD 1 +ATOM 1872 N NE . ARG A 1 243 ? 61.899 15.097 -50.471 1.00 53.58 ? 261 ARG A NE 1 +ATOM 1873 C CZ . ARG A 1 243 ? 62.050 13.799 -50.733 1.00 54.45 ? 261 ARG A CZ 1 +ATOM 1874 N NH1 . ARG A 1 243 ? 61.469 13.247 -51.791 1.00 55.14 ? 261 ARG A NH1 1 +ATOM 1875 N NH2 . ARG A 1 243 ? 62.805 13.049 -49.938 1.00 55.61 ? 261 ARG A NH2 1 +ATOM 1876 N N . ASP A 1 244 ? 60.529 18.498 -46.379 1.00 46.03 ? 262 ASP A N 1 +ATOM 1877 C CA . ASP A 1 244 ? 59.738 18.463 -45.153 1.00 43.48 ? 262 ASP A CA 1 +ATOM 1878 C C . ASP A 1 244 ? 60.547 18.229 -43.877 1.00 43.32 ? 262 ASP A C 1 +ATOM 1879 O O . ASP A 1 244 ? 61.780 18.274 -43.885 1.00 43.07 ? 262 ASP A O 1 +ATOM 1880 C CB . ASP A 1 244 ? 58.689 17.357 -45.297 1.00 41.87 ? 262 ASP A CB 1 +ATOM 1881 C CG . ASP A 1 244 ? 59.312 16.009 -45.627 1.00 40.10 ? 262 ASP A CG 1 +ATOM 1882 O OD1 . ASP A 1 244 ? 58.671 15.212 -46.333 1.00 39.70 ? 262 ASP A OD1 1 +ATOM 1883 O OD2 . ASP A 1 244 ? 60.445 15.737 -45.175 1.00 41.56 ? 262 ASP A OD2 1 +ATOM 1884 N N . PHE A 1 245 ? 59.825 17.955 -42.789 1.00 41.43 ? 263 PHE A N 1 +ATOM 1885 C CA . PHE A 1 245 ? 60.406 17.712 -41.474 1.00 39.29 ? 263 PHE A CA 1 +ATOM 1886 C C . PHE A 1 245 ? 61.370 16.529 -41.473 1.00 37.67 ? 263 PHE A C 1 +ATOM 1887 O O . PHE A 1 245 ? 62.432 16.591 -40.849 1.00 37.93 ? 263 PHE A O 1 +ATOM 1888 C CB . PHE A 1 245 ? 59.292 17.460 -40.451 1.00 36.21 ? 263 PHE A CB 1 +ATOM 1889 C CG . PHE A 1 245 ? 59.734 17.602 -39.021 1.00 38.45 ? 263 PHE A CG 1 +ATOM 1890 C CD1 . PHE A 1 245 ? 59.698 18.855 -38.384 1.00 37.50 ? 263 PHE A CD1 1 +ATOM 1891 C CD2 . PHE A 1 245 ? 60.195 16.482 -38.299 1.00 36.43 ? 263 PHE A CD2 1 +ATOM 1892 C CE1 . PHE A 1 245 ? 60.112 18.996 -37.037 1.00 36.14 ? 263 PHE A CE1 1 +ATOM 1893 C CE2 . PHE A 1 245 ? 60.613 16.608 -36.955 1.00 37.30 ? 263 PHE A CE2 1 +ATOM 1894 C CZ . PHE A 1 245 ? 60.571 17.866 -36.320 1.00 36.95 ? 263 PHE A CZ 1 +ATOM 1895 N N . ILE A 1 246 ? 60.987 15.458 -42.163 1.00 37.87 ? 264 ILE A N 1 +ATOM 1896 C CA . ILE A 1 246 ? 61.803 14.251 -42.236 1.00 39.82 ? 264 ILE A CA 1 +ATOM 1897 C C . ILE A 1 246 ? 63.121 14.491 -42.960 1.00 41.14 ? 264 ILE A C 1 +ATOM 1898 O O . ILE A 1 246 ? 64.153 13.978 -42.525 1.00 42.61 ? 264 ILE A O 1 +ATOM 1899 C CB . ILE A 1 246 ? 61.027 13.083 -42.910 1.00 39.45 ? 264 ILE A CB 1 +ATOM 1900 C CG1 . ILE A 1 246 ? 59.865 12.658 -42.007 1.00 39.88 ? 264 ILE A CG1 1 +ATOM 1901 C CG2 . ILE A 1 246 ? 61.951 11.873 -43.130 1.00 39.62 ? 264 ILE A CG2 1 +ATOM 1902 C CD1 . ILE A 1 246 ? 58.965 11.586 -42.606 1.00 40.48 ? 264 ILE A CD1 1 +ATOM 1903 N N . ASP A 1 247 ? 63.090 15.267 -44.047 1.00 41.01 ? 265 ASP A N 1 +ATOM 1904 C CA . ASP A 1 247 ? 64.313 15.579 -44.790 1.00 40.76 ? 265 ASP A CA 1 +ATOM 1905 C C . ASP A 1 247 ? 65.263 16.343 -43.897 1.00 41.54 ? 265 ASP A C 1 +ATOM 1906 O O . ASP A 1 247 ? 66.455 16.040 -43.848 1.00 40.96 ? 265 ASP A O 1 +ATOM 1907 C CB . ASP A 1 247 ? 64.026 16.433 -46.033 1.00 40.29 ? 265 ASP A CB 1 +ATOM 1908 C CG . ASP A 1 247 ? 63.569 15.608 -47.224 1.00 41.46 ? 265 ASP A CG 1 +ATOM 1909 O OD1 . ASP A 1 247 ? 63.671 14.363 -47.172 1.00 41.23 ? 265 ASP A OD1 1 +ATOM 1910 O OD2 . ASP A 1 247 ? 63.117 16.211 -48.222 1.00 41.31 ? 265 ASP A OD2 1 +ATOM 1911 N N . CYS A 1 248 ? 64.728 17.334 -43.187 1.00 41.83 ? 266 CYS A N 1 +ATOM 1912 C CA . CYS A 1 248 ? 65.534 18.150 -42.296 1.00 43.72 ? 266 CYS A CA 1 +ATOM 1913 C C . CYS A 1 248 ? 66.194 17.328 -41.196 1.00 45.12 ? 266 CYS A C 1 +ATOM 1914 O O . CYS A 1 248 ? 67.357 17.561 -40.867 1.00 46.12 ? 266 CYS A O 1 +ATOM 1915 C CB . CYS A 1 248 ? 64.682 19.272 -41.696 1.00 42.69 ? 266 CYS A CB 1 +ATOM 1916 S SG . CYS A 1 248 ? 64.167 20.522 -42.921 1.00 45.61 ? 266 CYS A SG 1 +ATOM 1917 N N . PHE A 1 249 ? 65.460 16.365 -40.638 1.00 45.92 ? 267 PHE A N 1 +ATOM 1918 C CA . PHE A 1 249 ? 66.003 15.517 -39.584 1.00 47.02 ? 267 PHE A CA 1 +ATOM 1919 C C . PHE A 1 249 ? 67.089 14.621 -40.172 1.00 47.49 ? 267 PHE A C 1 +ATOM 1920 O O . PHE A 1 249 ? 68.142 14.440 -39.566 1.00 47.74 ? 267 PHE A O 1 +ATOM 1921 C CB . PHE A 1 249 ? 64.910 14.647 -38.956 1.00 45.73 ? 267 PHE A CB 1 +ATOM 1922 C CG . PHE A 1 249 ? 65.247 14.154 -37.575 1.00 45.51 ? 267 PHE A CG 1 +ATOM 1923 C CD1 . PHE A 1 249 ? 64.756 14.819 -36.444 1.00 46.15 ? 267 PHE A CD1 1 +ATOM 1924 C CD2 . PHE A 1 249 ? 66.070 13.031 -37.395 1.00 46.40 ? 267 PHE A CD2 1 +ATOM 1925 C CE1 . PHE A 1 249 ? 65.077 14.375 -35.137 1.00 46.65 ? 267 PHE A CE1 1 +ATOM 1926 C CE2 . PHE A 1 249 ? 66.405 12.571 -36.099 1.00 46.91 ? 267 PHE A CE2 1 +ATOM 1927 C CZ . PHE A 1 249 ? 65.906 13.245 -34.966 1.00 46.74 ? 267 PHE A CZ 1 +ATOM 1928 N N . LEU A 1 250 ? 66.821 14.063 -41.349 1.00 47.83 ? 268 LEU A N 1 +ATOM 1929 C CA . LEU A 1 250 ? 67.784 13.201 -42.025 1.00 49.79 ? 268 LEU A CA 1 +ATOM 1930 C C . LEU A 1 250 ? 69.076 13.932 -42.374 1.00 50.71 ? 268 LEU A C 1 +ATOM 1931 O O . LEU A 1 250 ? 70.149 13.331 -42.354 1.00 52.67 ? 268 LEU A O 1 +ATOM 1932 C CB . LEU A 1 250 ? 67.170 12.607 -43.291 1.00 48.13 ? 268 LEU A CB 1 +ATOM 1933 C CG . LEU A 1 250 ? 66.135 11.499 -43.093 1.00 46.88 ? 268 LEU A CG 1 +ATOM 1934 C CD1 . LEU A 1 250 ? 65.599 11.096 -44.454 1.00 44.06 ? 268 LEU A CD1 1 +ATOM 1935 C CD2 . LEU A 1 250 ? 66.758 10.294 -42.366 1.00 44.81 ? 268 LEU A CD2 1 +ATOM 1936 N N . ILE A 1 251 ? 68.971 15.222 -42.688 1.00 51.58 ? 269 ILE A N 1 +ATOM 1937 C CA . ILE A 1 251 ? 70.141 16.035 -43.019 1.00 53.39 ? 269 ILE A CA 1 +ATOM 1938 C C . ILE A 1 251 ? 70.959 16.280 -41.750 1.00 54.14 ? 269 ILE A C 1 +ATOM 1939 O O . ILE A 1 251 ? 72.189 16.221 -41.780 1.00 54.72 ? 269 ILE A O 1 +ATOM 1940 C CB . ILE A 1 251 ? 69.727 17.396 -43.652 1.00 53.97 ? 269 ILE A CB 1 +ATOM 1941 C CG1 . ILE A 1 251 ? 69.109 17.152 -45.032 1.00 55.32 ? 269 ILE A CG1 1 +ATOM 1942 C CG2 . ILE A 1 251 ? 70.941 18.325 -43.777 1.00 54.21 ? 269 ILE A CG2 1 +ATOM 1943 C CD1 . ILE A 1 251 ? 68.462 18.384 -45.659 1.00 57.01 ? 269 ILE A CD1 1 +ATOM 1944 N N . LYS A 1 252 ? 70.267 16.544 -40.641 1.00 54.91 ? 270 LYS A N 1 +ATOM 1945 C CA . LYS A 1 252 ? 70.911 16.781 -39.349 1.00 55.06 ? 270 LYS A CA 1 +ATOM 1946 C C . LYS A 1 252 ? 71.617 15.508 -38.866 1.00 55.34 ? 270 LYS A C 1 +ATOM 1947 O O . LYS A 1 252 ? 72.666 15.580 -38.225 1.00 53.56 ? 270 LYS A O 1 +ATOM 1948 C CB . LYS A 1 252 ? 69.869 17.224 -38.315 1.00 54.67 ? 270 LYS A CB 1 +ATOM 1949 C CG . LYS A 1 252 ? 70.425 17.558 -36.929 1.00 55.05 ? 270 LYS A CG 1 +ATOM 1950 C CD . LYS A 1 252 ? 71.265 18.825 -36.941 1.00 57.11 ? 270 LYS A CD 1 +ATOM 1951 C CE . LYS A 1 252 ? 71.693 19.218 -35.537 1.00 58.76 ? 270 LYS A CE 1 +ATOM 1952 N NZ . LYS A 1 252 ? 72.443 20.510 -35.530 1.00 59.42 ? 270 LYS A NZ 1 +ATOM 1953 N N . MET A 1 253 ? 71.032 14.354 -39.179 1.00 56.39 ? 271 MET A N 1 +ATOM 1954 C CA . MET A 1 253 ? 71.596 13.060 -38.801 1.00 59.78 ? 271 MET A CA 1 +ATOM 1955 C C . MET A 1 253 ? 72.941 12.809 -39.488 1.00 61.46 ? 271 MET A C 1 +ATOM 1956 O O . MET A 1 253 ? 73.830 12.180 -38.915 1.00 61.25 ? 271 MET A O 1 +ATOM 1957 C CB . MET A 1 253 ? 70.617 11.930 -39.148 1.00 59.73 ? 271 MET A CB 1 +ATOM 1958 C CG . MET A 1 253 ? 69.508 11.724 -38.120 1.00 62.14 ? 271 MET A CG 1 +ATOM 1959 S SD . MET A 1 253 ? 68.404 10.327 -38.479 1.00 65.27 ? 271 MET A SD 1 +ATOM 1960 C CE . MET A 1 253 ? 69.551 8.933 -38.370 1.00 64.72 ? 271 MET A CE 1 +ATOM 1961 N N . GLU A 1 254 ? 73.079 13.306 -40.716 1.00 63.88 ? 272 GLU A N 1 +ATOM 1962 C CA . GLU A 1 254 ? 74.310 13.155 -41.485 1.00 65.88 ? 272 GLU A CA 1 +ATOM 1963 C C . GLU A 1 254 ? 75.430 13.981 -40.850 1.00 66.61 ? 272 GLU A C 1 +ATOM 1964 O O . GLU A 1 254 ? 76.561 13.513 -40.730 1.00 66.57 ? 272 GLU A O 1 +ATOM 1965 C CB . GLU A 1 254 ? 74.083 13.606 -42.936 1.00 67.48 ? 272 GLU A CB 1 +ATOM 1966 C CG . GLU A 1 254 ? 75.318 13.519 -43.834 1.00 69.70 ? 272 GLU A CG 1 +ATOM 1967 C CD . GLU A 1 254 ? 75.777 12.090 -44.091 1.00 71.54 ? 272 GLU A CD 1 +ATOM 1968 O OE1 . GLU A 1 254 ? 76.949 11.910 -44.492 1.00 72.02 ? 272 GLU A OE1 1 +ATOM 1969 O OE2 . GLU A 1 254 ? 74.971 11.150 -43.907 1.00 72.26 ? 272 GLU A OE2 1 +ATOM 1970 N N . GLN A 1 255 ? 75.102 15.201 -40.433 1.00 66.89 ? 273 GLN A N 1 +ATOM 1971 C CA . GLN A 1 255 ? 76.071 16.102 -39.810 1.00 69.16 ? 273 GLN A CA 1 +ATOM 1972 C C . GLN A 1 255 ? 76.530 15.602 -38.435 1.00 70.73 ? 273 GLN A C 1 +ATOM 1973 O O . GLN A 1 255 ? 77.535 16.074 -37.899 1.00 70.63 ? 273 GLN A O 1 +ATOM 1974 C CB . GLN A 1 255 ? 75.465 17.503 -39.659 1.00 69.52 ? 273 GLN A CB 1 +ATOM 1975 C CG . GLN A 1 255 ? 74.730 18.010 -40.896 1.00 70.34 ? 273 GLN A CG 1 +ATOM 1976 C CD . GLN A 1 255 ? 74.110 19.378 -40.698 1.00 70.55 ? 273 GLN A CD 1 +ATOM 1977 O OE1 . GLN A 1 255 ? 73.561 19.675 -39.636 1.00 71.23 ? 273 GLN A OE1 1 +ATOM 1978 N NE2 . GLN A 1 255 ? 74.178 20.214 -41.730 1.00 70.48 ? 273 GLN A NE2 1 +ATOM 1979 N N . GLU A 1 256 ? 75.789 14.651 -37.870 1.00 72.53 ? 274 GLU A N 1 +ATOM 1980 C CA . GLU A 1 256 ? 76.104 14.091 -36.557 1.00 74.65 ? 274 GLU A CA 1 +ATOM 1981 C C . GLU A 1 256 ? 76.518 12.617 -36.653 1.00 75.19 ? 274 GLU A C 1 +ATOM 1982 O O . GLU A 1 256 ? 76.607 11.920 -35.639 1.00 74.64 ? 274 GLU A O 1 +ATOM 1983 C CB . GLU A 1 256 ? 74.884 14.227 -35.637 1.00 75.66 ? 274 GLU A CB 1 +ATOM 1984 C CG . GLU A 1 256 ? 75.174 14.879 -34.294 1.00 78.36 ? 274 GLU A CG 1 +ATOM 1985 C CD . GLU A 1 256 ? 75.204 16.394 -34.359 1.00 80.03 ? 274 GLU A CD 1 +ATOM 1986 O OE1 . GLU A 1 256 ? 75.992 16.951 -35.152 1.00 80.41 ? 274 GLU A OE1 1 +ATOM 1987 O OE2 . GLU A 1 256 ? 74.436 17.031 -33.606 1.00 82.25 ? 274 GLU A OE2 1 +ATOM 1988 N N . LYS A 1 257 ? 76.781 12.166 -37.878 1.00 76.62 ? 275 LYS A N 1 +ATOM 1989 C CA . LYS A 1 257 ? 77.170 10.786 -38.176 1.00 77.92 ? 275 LYS A CA 1 +ATOM 1990 C C . LYS A 1 257 ? 78.378 10.263 -37.393 1.00 79.03 ? 275 LYS A C 1 +ATOM 1991 O O . LYS A 1 257 ? 78.424 9.081 -37.044 1.00 79.52 ? 275 LYS A O 1 +ATOM 1992 C CB . LYS A 1 257 ? 77.443 10.651 -39.681 1.00 77.98 ? 275 LYS A CB 1 +ATOM 1993 C CG . LYS A 1 257 ? 77.690 9.231 -40.177 1.00 78.56 ? 275 LYS A CG 1 +ATOM 1994 C CD . LYS A 1 257 ? 78.008 9.220 -41.668 1.00 78.65 ? 275 LYS A CD 1 +ATOM 1995 C CE . LYS A 1 257 ? 78.195 7.800 -42.200 1.00 79.69 ? 275 LYS A CE 1 +ATOM 1996 N NZ . LYS A 1 257 ? 79.350 7.093 -41.569 1.00 79.65 ? 275 LYS A NZ 1 +ATOM 1997 N N . ASP A 1 258 ? 79.344 11.138 -37.119 1.00 80.07 ? 276 ASP A N 1 +ATOM 1998 C CA . ASP A 1 258 ? 80.561 10.752 -36.401 1.00 81.46 ? 276 ASP A CA 1 +ATOM 1999 C C . ASP A 1 258 ? 80.352 10.531 -34.906 1.00 82.47 ? 276 ASP A C 1 +ATOM 2000 O O . ASP A 1 258 ? 80.950 9.627 -34.318 1.00 82.03 ? 276 ASP A O 1 +ATOM 2001 C CB . ASP A 1 258 ? 81.657 11.803 -36.617 1.00 81.20 ? 276 ASP A CB 1 +ATOM 2002 C CG . ASP A 1 258 ? 81.936 12.062 -38.088 1.00 80.81 ? 276 ASP A CG 1 +ATOM 2003 O OD1 . ASP A 1 258 ? 82.177 11.087 -38.833 1.00 80.08 ? 276 ASP A OD1 1 +ATOM 2004 O OD2 . ASP A 1 258 ? 81.912 13.241 -38.498 1.00 81.24 ? 276 ASP A OD2 1 +ATOM 2005 N N . ASN A 1 259 ? 79.506 11.361 -34.299 1.00 83.77 ? 277 ASN A N 1 +ATOM 2006 C CA . ASN A 1 259 ? 79.208 11.261 -32.873 1.00 84.42 ? 277 ASN A CA 1 +ATOM 2007 C C . ASN A 1 259 ? 78.194 10.144 -32.623 1.00 84.24 ? 277 ASN A C 1 +ATOM 2008 O O . ASN A 1 259 ? 77.105 10.142 -33.204 1.00 84.41 ? 277 ASN A O 1 +ATOM 2009 C CB . ASN A 1 259 ? 78.664 12.599 -32.365 1.00 85.73 ? 277 ASN A CB 1 +ATOM 2010 C CG . ASN A 1 259 ? 78.299 12.561 -30.897 1.00 87.33 ? 277 ASN A CG 1 +ATOM 2011 O OD1 . ASN A 1 259 ? 79.118 12.212 -30.045 1.00 88.55 ? 277 ASN A OD1 1 +ATOM 2012 N ND2 . ASN A 1 259 ? 77.062 12.930 -30.591 1.00 88.58 ? 277 ASN A ND2 1 +ATOM 2013 N N . GLN A 1 260 ? 78.558 9.197 -31.759 1.00 84.17 ? 278 GLN A N 1 +ATOM 2014 C CA . GLN A 1 260 ? 77.684 8.067 -31.445 1.00 83.86 ? 278 GLN A CA 1 +ATOM 2015 C C . GLN A 1 260 ? 76.712 8.330 -30.297 1.00 82.33 ? 278 GLN A C 1 +ATOM 2016 O O . GLN A 1 260 ? 75.782 7.551 -30.072 1.00 82.05 ? 278 GLN A O 1 +ATOM 2017 C CB . GLN A 1 260 ? 78.519 6.819 -31.138 1.00 85.72 ? 278 GLN A CB 1 +ATOM 2018 C CG . GLN A 1 260 ? 78.220 5.618 -32.047 1.00 87.73 ? 278 GLN A CG 1 +ATOM 2019 C CD . GLN A 1 260 ? 76.776 5.126 -31.952 1.00 89.16 ? 278 GLN A CD 1 +ATOM 2020 O OE1 . GLN A 1 260 ? 75.840 5.802 -32.390 1.00 89.50 ? 278 GLN A OE1 1 +ATOM 2021 N NE2 . GLN A 1 260 ? 76.594 3.943 -31.373 1.00 89.14 ? 278 GLN A NE2 1 +ATOM 2022 N N . LYS A 1 261 ? 76.930 9.421 -29.569 1.00 80.47 ? 279 LYS A N 1 +ATOM 2023 C CA . LYS A 1 261 ? 76.050 9.785 -28.463 1.00 78.65 ? 279 LYS A CA 1 +ATOM 2024 C C . LYS A 1 261 ? 75.128 10.907 -28.961 1.00 76.23 ? 279 LYS A C 1 +ATOM 2025 O O . LYS A 1 261 ? 74.835 11.865 -28.238 1.00 76.31 ? 279 LYS A O 1 +ATOM 2026 C CB . LYS A 1 261 ? 76.882 10.257 -27.263 1.00 79.90 ? 279 LYS A CB 1 +ATOM 2027 C CG . LYS A 1 261 ? 76.165 10.149 -25.919 1.00 81.67 ? 279 LYS A CG 1 +ATOM 2028 C CD . LYS A 1 261 ? 77.070 10.570 -24.761 1.00 82.55 ? 279 LYS A CD 1 +ATOM 2029 C CE . LYS A 1 261 ? 76.440 10.259 -23.405 1.00 82.89 ? 279 LYS A CE 1 +ATOM 2030 N NZ . LYS A 1 261 ? 75.147 10.968 -23.174 1.00 82.61 ? 279 LYS A NZ 1 +ATOM 2031 N N . SER A 1 262 ? 74.680 10.772 -30.209 1.00 72.67 ? 280 SER A N 1 +ATOM 2032 C CA . SER A 1 262 ? 73.808 11.759 -30.838 1.00 68.94 ? 280 SER A CA 1 +ATOM 2033 C C . SER A 1 262 ? 72.331 11.428 -30.709 1.00 65.82 ? 280 SER A C 1 +ATOM 2034 O O . SER A 1 262 ? 71.904 10.303 -30.983 1.00 64.08 ? 280 SER A O 1 +ATOM 2035 C CB . SER A 1 262 ? 74.155 11.907 -32.320 1.00 68.68 ? 280 SER A CB 1 +ATOM 2036 O OG . SER A 1 262 ? 73.238 12.774 -32.968 1.00 67.04 ? 280 SER A OG 1 +ATOM 2037 N N . GLU A 1 263 ? 71.556 12.431 -30.306 1.00 62.46 ? 281 GLU A N 1 +ATOM 2038 C CA . GLU A 1 263 ? 70.114 12.287 -30.143 1.00 59.83 ? 281 GLU A CA 1 +ATOM 2039 C C . GLU A 1 263 ? 69.402 12.174 -31.487 1.00 58.15 ? 281 GLU A C 1 +ATOM 2040 O O . GLU A 1 263 ? 68.289 11.657 -31.570 1.00 58.56 ? 281 GLU A O 1 +ATOM 2041 C CB . GLU A 1 263 ? 69.550 13.481 -29.369 1.00 58.79 ? 281 GLU A CB 1 +ATOM 2042 C CG . GLU A 1 263 ? 70.100 13.629 -27.957 1.00 57.86 ? 281 GLU A CG 1 +ATOM 2043 C CD . GLU A 1 263 ? 69.747 12.457 -27.052 1.00 58.18 ? 281 GLU A CD 1 +ATOM 2044 O OE1 . GLU A 1 263 ? 70.273 12.415 -25.920 1.00 58.21 ? 281 GLU A OE1 1 +ATOM 2045 O OE2 . GLU A 1 263 ? 68.946 11.585 -27.462 1.00 56.94 ? 281 GLU A OE2 1 +ATOM 2046 N N . PHE A 1 264 ? 70.054 12.654 -32.537 1.00 55.44 ? 282 PHE A N 1 +ATOM 2047 C CA . PHE A 1 264 ? 69.484 12.624 -33.870 1.00 54.66 ? 282 PHE A CA 1 +ATOM 2048 C C . PHE A 1 264 ? 69.746 11.286 -34.539 1.00 54.70 ? 282 PHE A C 1 +ATOM 2049 O O . PHE A 1 264 ? 70.754 11.084 -35.213 1.00 55.60 ? 282 PHE A O 1 +ATOM 2050 C CB . PHE A 1 264 ? 70.047 13.789 -34.683 1.00 53.28 ? 282 PHE A CB 1 +ATOM 2051 C CG . PHE A 1 264 ? 69.737 15.133 -34.082 1.00 51.43 ? 282 PHE A CG 1 +ATOM 2052 C CD1 . PHE A 1 264 ? 68.491 15.738 -34.297 1.00 50.99 ? 282 PHE A CD1 1 +ATOM 2053 C CD2 . PHE A 1 264 ? 70.662 15.767 -33.240 1.00 50.63 ? 282 PHE A CD2 1 +ATOM 2054 C CE1 . PHE A 1 264 ? 68.160 16.962 -33.679 1.00 50.95 ? 282 PHE A CE1 1 +ATOM 2055 C CE2 . PHE A 1 264 ? 70.352 16.993 -32.608 1.00 51.74 ? 282 PHE A CE2 1 +ATOM 2056 C CZ . PHE A 1 264 ? 69.092 17.594 -32.829 1.00 51.28 ? 282 PHE A CZ 1 +ATOM 2057 N N . ASN A 1 265 ? 68.812 10.372 -34.314 1.00 54.48 ? 283 ASN A N 1 +ATOM 2058 C CA . ASN A 1 265 ? 68.851 9.019 -34.852 1.00 54.89 ? 283 ASN A CA 1 +ATOM 2059 C C . ASN A 1 265 ? 67.453 8.678 -35.360 1.00 55.67 ? 283 ASN A C 1 +ATOM 2060 O O . ASN A 1 265 ? 66.504 9.424 -35.116 1.00 56.13 ? 283 ASN A O 1 +ATOM 2061 C CB . ASN A 1 265 ? 69.284 8.033 -33.758 1.00 53.82 ? 283 ASN A CB 1 +ATOM 2062 C CG . ASN A 1 265 ? 68.563 8.265 -32.438 1.00 54.29 ? 283 ASN A CG 1 +ATOM 2063 O OD1 . ASN A 1 265 ? 67.343 8.129 -32.348 1.00 53.29 ? 283 ASN A OD1 1 +ATOM 2064 N ND2 . ASN A 1 265 ? 69.320 8.624 -31.407 1.00 53.92 ? 283 ASN A ND2 1 +ATOM 2065 N N . ILE A 1 266 ? 67.325 7.558 -36.063 1.00 56.93 ? 284 ILE A N 1 +ATOM 2066 C CA . ILE A 1 266 ? 66.037 7.137 -36.610 1.00 58.75 ? 284 ILE A CA 1 +ATOM 2067 C C . ILE A 1 266 ? 64.996 6.869 -35.509 1.00 59.40 ? 284 ILE A C 1 +ATOM 2068 O O . ILE A 1 266 ? 63.793 6.999 -35.739 1.00 59.52 ? 284 ILE A O 1 +ATOM 2069 C CB . ILE A 1 266 ? 66.225 5.881 -37.521 1.00 60.09 ? 284 ILE A CB 1 +ATOM 2070 C CG1 . ILE A 1 266 ? 67.107 6.257 -38.724 1.00 62.46 ? 284 ILE A CG1 1 +ATOM 2071 C CG2 . ILE A 1 266 ? 64.871 5.351 -38.014 1.00 60.18 ? 284 ILE A CG2 1 +ATOM 2072 C CD1 . ILE A 1 266 ? 67.560 5.086 -39.599 1.00 63.46 ? 284 ILE A CD1 1 +ATOM 2073 N N . GLU A 1 267 ? 65.464 6.527 -34.312 1.00 59.28 ? 285 GLU A N 1 +ATOM 2074 C CA . GLU A 1 267 ? 64.569 6.244 -33.197 1.00 59.50 ? 285 GLU A CA 1 +ATOM 2075 C C . GLU A 1 267 ? 63.832 7.500 -32.724 1.00 57.47 ? 285 GLU A C 1 +ATOM 2076 O O . GLU A 1 267 ? 62.612 7.478 -32.554 1.00 56.73 ? 285 GLU A O 1 +ATOM 2077 C CB . GLU A 1 267 ? 65.358 5.620 -32.042 1.00 61.75 ? 285 GLU A CB 1 +ATOM 2078 C CG . GLU A 1 267 ? 64.607 4.527 -31.305 1.00 66.32 ? 285 GLU A CG 1 +ATOM 2079 C CD . GLU A 1 267 ? 64.187 3.384 -32.219 1.00 69.05 ? 285 GLU A CD 1 +ATOM 2080 O OE1 . GLU A 1 267 ? 65.079 2.722 -32.794 1.00 71.06 ? 285 GLU A OE1 1 +ATOM 2081 O OE2 . GLU A 1 267 ? 62.965 3.150 -32.362 1.00 69.98 ? 285 GLU A OE2 1 +ATOM 2082 N N . ASN A 1 268 ? 64.569 8.590 -32.521 1.00 55.20 ? 286 ASN A N 1 +ATOM 2083 C CA . ASN A 1 268 ? 63.971 9.848 -32.085 1.00 53.73 ? 286 ASN A CA 1 +ATOM 2084 C C . ASN A 1 268 ? 63.190 10.543 -33.202 1.00 51.87 ? 286 ASN A C 1 +ATOM 2085 O O . ASN A 1 268 ? 62.313 11.361 -32.924 1.00 50.40 ? 286 ASN A O 1 +ATOM 2086 C CB . ASN A 1 268 ? 65.036 10.804 -31.543 1.00 53.81 ? 286 ASN A CB 1 +ATOM 2087 C CG . ASN A 1 268 ? 65.257 10.650 -30.049 1.00 57.03 ? 286 ASN A CG 1 +ATOM 2088 O OD1 . ASN A 1 268 ? 64.301 10.598 -29.273 1.00 57.72 ? 286 ASN A OD1 1 +ATOM 2089 N ND2 . ASN A 1 268 ? 66.521 10.592 -29.634 1.00 57.74 ? 286 ASN A ND2 1 +ATOM 2090 N N . LEU A 1 269 ? 63.508 10.219 -34.455 1.00 49.61 ? 287 LEU A N 1 +ATOM 2091 C CA . LEU A 1 269 ? 62.826 10.814 -35.603 1.00 47.66 ? 287 LEU A CA 1 +ATOM 2092 C C . LEU A 1 269 ? 61.398 10.306 -35.690 1.00 46.40 ? 287 LEU A C 1 +ATOM 2093 O O . LEU A 1 269 ? 60.467 11.087 -35.887 1.00 45.23 ? 287 LEU A O 1 +ATOM 2094 C CB . LEU A 1 269 ? 63.569 10.494 -36.907 1.00 46.99 ? 287 LEU A CB 1 +ATOM 2095 C CG . LEU A 1 269 ? 62.922 10.866 -38.254 1.00 47.76 ? 287 LEU A CG 1 +ATOM 2096 C CD1 . LEU A 1 269 ? 62.409 12.311 -38.253 1.00 45.44 ? 287 LEU A CD1 1 +ATOM 2097 C CD2 . LEU A 1 269 ? 63.951 10.662 -39.360 1.00 47.95 ? 287 LEU A CD2 1 +ATOM 2098 N N . VAL A 1 270 ? 61.235 8.995 -35.540 1.00 46.44 ? 288 VAL A N 1 +ATOM 2099 C CA . VAL A 1 270 ? 59.921 8.367 -35.590 1.00 45.45 ? 288 VAL A CA 1 +ATOM 2100 C C . VAL A 1 270 ? 59.068 8.892 -34.431 1.00 44.18 ? 288 VAL A C 1 +ATOM 2101 O O . VAL A 1 270 ? 57.905 9.242 -34.621 1.00 44.07 ? 288 VAL A O 1 +ATOM 2102 C CB . VAL A 1 270 ? 60.038 6.817 -35.495 1.00 45.68 ? 288 VAL A CB 1 +ATOM 2103 C CG1 . VAL A 1 270 ? 58.662 6.175 -35.570 1.00 45.48 ? 288 VAL A CG1 1 +ATOM 2104 C CG2 . VAL A 1 270 ? 60.911 6.289 -36.630 1.00 47.03 ? 288 VAL A CG2 1 +ATOM 2105 N N . GLY A 1 271 ? 59.669 8.957 -33.244 1.00 44.04 ? 289 GLY A N 1 +ATOM 2106 C CA . GLY A 1 271 ? 58.967 9.432 -32.065 1.00 42.23 ? 289 GLY A CA 1 +ATOM 2107 C C . GLY A 1 271 ? 58.546 10.889 -32.166 1.00 42.35 ? 289 GLY A C 1 +ATOM 2108 O O . GLY A 1 271 ? 57.463 11.257 -31.705 1.00 43.54 ? 289 GLY A O 1 +ATOM 2109 N N . THR A 1 272 ? 59.396 11.717 -32.768 1.00 39.86 ? 290 THR A N 1 +ATOM 2110 C CA . THR A 1 272 ? 59.104 13.139 -32.926 1.00 39.01 ? 290 THR A CA 1 +ATOM 2111 C C . THR A 1 272 ? 57.972 13.372 -33.924 1.00 36.39 ? 290 THR A C 1 +ATOM 2112 O O . THR A 1 272 ? 57.119 14.218 -33.692 1.00 35.97 ? 290 THR A O 1 +ATOM 2113 C CB . THR A 1 272 ? 60.366 13.918 -33.360 1.00 37.74 ? 290 THR A CB 1 +ATOM 2114 O OG1 . THR A 1 272 ? 61.352 13.804 -32.329 1.00 38.27 ? 290 THR A OG1 1 +ATOM 2115 C CG2 . THR A 1 272 ? 60.055 15.394 -33.573 1.00 35.85 ? 290 THR A CG2 1 +ATOM 2116 N N . VAL A 1 273 ? 57.967 12.617 -35.019 1.00 35.29 ? 291 VAL A N 1 +ATOM 2117 C CA . VAL A 1 273 ? 56.922 12.731 -36.031 1.00 34.43 ? 291 VAL A CA 1 +ATOM 2118 C C . VAL A 1 273 ? 55.597 12.339 -35.382 1.00 35.09 ? 291 VAL A C 1 +ATOM 2119 O O . VAL A 1 273 ? 54.608 13.062 -35.494 1.00 36.75 ? 291 VAL A O 1 +ATOM 2120 C CB . VAL A 1 273 ? 57.216 11.807 -37.261 1.00 33.97 ? 291 VAL A CB 1 +ATOM 2121 C CG1 . VAL A 1 273 ? 56.012 11.753 -38.209 1.00 30.24 ? 291 VAL A CG1 1 +ATOM 2122 C CG2 . VAL A 1 273 ? 58.433 12.334 -38.022 1.00 32.53 ? 291 VAL A CG2 1 +ATOM 2123 N N . ALA A 1 274 ? 55.591 11.207 -34.681 1.00 34.43 ? 292 ALA A N 1 +ATOM 2124 C CA . ALA A 1 274 ? 54.387 10.731 -34.008 1.00 32.52 ? 292 ALA A CA 1 +ATOM 2125 C C . ALA A 1 274 ? 53.893 11.792 -33.023 1.00 32.86 ? 292 ALA A C 1 +ATOM 2126 O O . ALA A 1 274 ? 52.698 12.073 -32.957 1.00 33.87 ? 292 ALA A O 1 +ATOM 2127 C CB . ALA A 1 274 ? 54.678 9.419 -33.280 1.00 30.65 ? 292 ALA A CB 1 +ATOM 2128 N N . ASP A 1 275 ? 54.823 12.392 -32.283 1.00 31.63 ? 293 ASP A N 1 +ATOM 2129 C CA . ASP A 1 275 ? 54.490 13.430 -31.316 1.00 33.42 ? 293 ASP A CA 1 +ATOM 2130 C C . ASP A 1 275 ? 53.817 14.646 -31.959 1.00 34.32 ? 293 ASP A C 1 +ATOM 2131 O O . ASP A 1 275 ? 52.904 15.227 -31.379 1.00 33.56 ? 293 ASP A O 1 +ATOM 2132 C CB . ASP A 1 275 ? 55.745 13.871 -30.562 1.00 33.88 ? 293 ASP A CB 1 +ATOM 2133 C CG . ASP A 1 275 ? 56.113 12.921 -29.417 1.00 37.53 ? 293 ASP A CG 1 +ATOM 2134 O OD1 . ASP A 1 275 ? 57.132 13.173 -28.736 1.00 35.29 ? 293 ASP A OD1 1 +ATOM 2135 O OD2 . ASP A 1 275 ? 55.386 11.929 -29.193 1.00 38.00 ? 293 ASP A OD2 1 +ATOM 2136 N N . LEU A 1 276 ? 54.259 15.024 -33.156 1.00 35.00 ? 294 LEU A N 1 +ATOM 2137 C CA . LEU A 1 276 ? 53.672 16.170 -33.838 1.00 35.25 ? 294 LEU A CA 1 +ATOM 2138 C C . LEU A 1 276 ? 52.224 15.861 -34.183 1.00 36.18 ? 294 LEU A C 1 +ATOM 2139 O O . LEU A 1 276 ? 51.359 16.719 -34.047 1.00 35.61 ? 294 LEU A O 1 +ATOM 2140 C CB . LEU A 1 276 ? 54.489 16.532 -35.090 1.00 35.40 ? 294 LEU A CB 1 +ATOM 2141 C CG . LEU A 1 276 ? 55.954 16.947 -34.844 1.00 33.59 ? 294 LEU A CG 1 +ATOM 2142 C CD1 . LEU A 1 276 ? 56.526 17.528 -36.116 1.00 37.19 ? 294 LEU A CD1 1 +ATOM 2143 C CD2 . LEU A 1 276 ? 56.055 17.986 -33.737 1.00 33.07 ? 294 LEU A CD2 1 +ATOM 2144 N N . PHE A 1 277 ? 51.965 14.625 -34.602 1.00 36.95 ? 295 PHE A N 1 +ATOM 2145 C CA . PHE A 1 277 ? 50.613 14.183 -34.911 1.00 38.08 ? 295 PHE A CA 1 +ATOM 2146 C C . PHE A 1 277 ? 49.753 14.165 -33.651 1.00 38.85 ? 295 PHE A C 1 +ATOM 2147 O O . PHE A 1 277 ? 48.616 14.626 -33.657 1.00 39.42 ? 295 PHE A O 1 +ATOM 2148 C CB . PHE A 1 277 ? 50.623 12.770 -35.492 1.00 37.19 ? 295 PHE A CB 1 +ATOM 2149 C CG . PHE A 1 277 ? 50.808 12.727 -36.968 1.00 39.23 ? 295 PHE A CG 1 +ATOM 2150 C CD1 . PHE A 1 277 ? 52.065 12.452 -37.524 1.00 38.71 ? 295 PHE A CD1 1 +ATOM 2151 C CD2 . PHE A 1 277 ? 49.722 12.978 -37.822 1.00 39.18 ? 295 PHE A CD2 1 +ATOM 2152 C CE1 . PHE A 1 277 ? 52.244 12.426 -38.923 1.00 39.76 ? 295 PHE A CE1 1 +ATOM 2153 C CE2 . PHE A 1 277 ? 49.881 12.957 -39.220 1.00 39.82 ? 295 PHE A CE2 1 +ATOM 2154 C CZ . PHE A 1 277 ? 51.144 12.680 -39.774 1.00 38.96 ? 295 PHE A CZ 1 +ATOM 2155 N N . VAL A 1 278 ? 50.309 13.624 -32.573 1.00 38.34 ? 296 VAL A N 1 +ATOM 2156 C CA . VAL A 1 278 ? 49.596 13.512 -31.315 1.00 38.42 ? 296 VAL A CA 1 +ATOM 2157 C C . VAL A 1 278 ? 49.246 14.872 -30.723 1.00 38.51 ? 296 VAL A C 1 +ATOM 2158 O O . VAL A 1 278 ? 48.098 15.129 -30.366 1.00 39.60 ? 296 VAL A O 1 +ATOM 2159 C CB . VAL A 1 278 ? 50.437 12.670 -30.306 1.00 40.68 ? 296 VAL A CB 1 +ATOM 2160 C CG1 . VAL A 1 278 ? 49.912 12.830 -28.893 1.00 42.07 ? 296 VAL A CG1 1 +ATOM 2161 C CG2 . VAL A 1 278 ? 50.385 11.195 -30.702 1.00 39.29 ? 296 VAL A CG2 1 +ATOM 2162 N N . ALA A 1 279 ? 50.239 15.744 -30.632 1.00 37.14 ? 297 ALA A N 1 +ATOM 2163 C CA . ALA A 1 279 ? 50.041 17.063 -30.060 1.00 36.86 ? 297 ALA A CA 1 +ATOM 2164 C C . ALA A 1 279 ? 49.387 18.080 -30.995 1.00 36.64 ? 297 ALA A C 1 +ATOM 2165 O O . ALA A 1 279 ? 48.798 19.053 -30.532 1.00 37.13 ? 297 ALA A O 1 +ATOM 2166 C CB . ALA A 1 279 ? 51.374 17.596 -29.570 1.00 35.07 ? 297 ALA A CB 1 +ATOM 2167 N N . GLY A 1 280 ? 49.472 17.848 -32.300 1.00 36.52 ? 298 GLY A N 1 +ATOM 2168 C CA . GLY A 1 280 ? 48.922 18.802 -33.247 1.00 37.76 ? 298 GLY A CA 1 +ATOM 2169 C C . GLY A 1 280 ? 47.649 18.500 -34.001 1.00 36.83 ? 298 GLY A C 1 +ATOM 2170 O O . GLY A 1 280 ? 47.096 19.392 -34.642 1.00 36.32 ? 298 GLY A O 1 +ATOM 2171 N N . THR A 1 281 ? 47.171 17.265 -33.929 1.00 36.39 ? 299 THR A N 1 +ATOM 2172 C CA . THR A 1 281 ? 45.958 16.907 -34.646 1.00 37.17 ? 299 THR A CA 1 +ATOM 2173 C C . THR A 1 281 ? 44.684 17.176 -33.861 1.00 36.64 ? 299 THR A C 1 +ATOM 2174 O O . THR A 1 281 ? 43.911 18.073 -34.213 1.00 35.46 ? 299 THR A O 1 +ATOM 2175 C CB . THR A 1 281 ? 45.990 15.421 -35.078 1.00 35.90 ? 299 THR A CB 1 +ATOM 2176 O OG1 . THR A 1 281 ? 47.116 15.212 -35.931 1.00 41.42 ? 299 THR A OG1 1 +ATOM 2177 C CG2 . THR A 1 281 ? 44.731 15.040 -35.837 1.00 38.97 ? 299 THR A CG2 1 +ATOM 2178 N N . GLU A 1 282 ? 44.472 16.418 -32.791 1.00 35.95 ? 300 GLU A N 1 +ATOM 2179 C CA . GLU A 1 282 ? 43.253 16.559 -32.019 1.00 38.08 ? 300 GLU A CA 1 +ATOM 2180 C C . GLU A 1 282 ? 43.049 17.882 -31.289 1.00 35.12 ? 300 GLU A C 1 +ATOM 2181 O O . GLU A 1 282 ? 41.917 18.286 -31.061 1.00 34.71 ? 300 GLU A O 1 +ATOM 2182 C CB . GLU A 1 282 ? 43.113 15.398 -31.036 1.00 41.37 ? 300 GLU A CB 1 +ATOM 2183 C CG . GLU A 1 282 ? 41.663 15.020 -30.820 1.00 47.19 ? 300 GLU A CG 1 +ATOM 2184 C CD . GLU A 1 282 ? 41.044 14.351 -32.041 1.00 50.43 ? 300 GLU A CD 1 +ATOM 2185 O OE1 . GLU A 1 282 ? 39.895 14.697 -32.386 1.00 53.30 ? 300 GLU A OE1 1 +ATOM 2186 O OE2 . GLU A 1 282 ? 41.702 13.476 -32.647 1.00 52.44 ? 300 GLU A OE2 1 +ATOM 2187 N N . THR A 1 283 ? 44.128 18.560 -30.931 1.00 34.69 ? 301 THR A N 1 +ATOM 2188 C CA . THR A 1 283 ? 44.009 19.846 -30.239 1.00 35.41 ? 301 THR A CA 1 +ATOM 2189 C C . THR A 1 283 ? 43.468 20.947 -31.158 1.00 35.06 ? 301 THR A C 1 +ATOM 2190 O O . THR A 1 283 ? 42.567 21.699 -30.775 1.00 35.25 ? 301 THR A O 1 +ATOM 2191 C CB . THR A 1 283 ? 45.358 20.287 -29.701 1.00 36.65 ? 301 THR A CB 1 +ATOM 2192 O OG1 . THR A 1 283 ? 46.319 20.251 -30.767 1.00 40.37 ? 301 THR A OG1 1 +ATOM 2193 C CG2 . THR A 1 283 ? 45.805 19.361 -28.598 1.00 38.07 ? 301 THR A CG2 1 +ATOM 2194 N N . THR A 1 284 ? 44.022 21.037 -32.367 1.00 33.30 ? 302 THR A N 1 +ATOM 2195 C CA . THR A 1 284 ? 43.598 22.040 -33.345 1.00 30.23 ? 302 THR A CA 1 +ATOM 2196 C C . THR A 1 284 ? 42.184 21.708 -33.809 1.00 29.23 ? 302 THR A C 1 +ATOM 2197 O O . THR A 1 284 ? 41.341 22.585 -33.932 1.00 27.64 ? 302 THR A O 1 +ATOM 2198 C CB . THR A 1 284 ? 44.550 22.060 -34.571 1.00 29.34 ? 302 THR A CB 1 +ATOM 2199 O OG1 . THR A 1 284 ? 45.903 22.190 -34.118 1.00 28.28 ? 302 THR A OG1 1 +ATOM 2200 C CG2 . THR A 1 284 ? 44.223 23.233 -35.485 1.00 28.34 ? 302 THR A CG2 1 +ATOM 2201 N N . SER A 1 285 ? 41.942 20.426 -34.061 1.00 29.40 ? 303 SER A N 1 +ATOM 2202 C CA . SER A 1 285 ? 40.635 19.948 -34.497 1.00 31.34 ? 303 SER A CA 1 +ATOM 2203 C C . SER A 1 285 ? 39.523 20.346 -33.516 1.00 30.21 ? 303 SER A C 1 +ATOM 2204 O O . SER A 1 285 ? 38.469 20.840 -33.929 1.00 30.91 ? 303 SER A O 1 +ATOM 2205 C CB . SER A 1 285 ? 40.670 18.431 -34.648 1.00 29.56 ? 303 SER A CB 1 +ATOM 2206 O OG . SER A 1 285 ? 39.365 17.931 -34.773 1.00 34.73 ? 303 SER A OG 1 +ATOM 2207 N N . THR A 1 286 ? 39.780 20.154 -32.225 1.00 29.26 ? 304 THR A N 1 +ATOM 2208 C CA . THR A 1 286 ? 38.823 20.493 -31.173 1.00 28.22 ? 304 THR A CA 1 +ATOM 2209 C C . THR A 1 286 ? 38.564 21.994 -31.108 1.00 28.17 ? 304 THR A C 1 +ATOM 2210 O O . THR A 1 286 ? 37.415 22.425 -30.919 1.00 29.40 ? 304 THR A O 1 +ATOM 2211 C CB . THR A 1 286 ? 39.331 20.026 -29.776 1.00 26.79 ? 304 THR A CB 1 +ATOM 2212 O OG1 . THR A 1 286 ? 39.645 18.638 -29.827 1.00 24.73 ? 304 THR A OG1 1 +ATOM 2213 C CG2 . THR A 1 286 ? 38.267 20.237 -28.707 1.00 27.38 ? 304 THR A CG2 1 +ATOM 2214 N N . THR A 1 287 ? 39.624 22.791 -31.240 1.00 27.54 ? 305 THR A N 1 +ATOM 2215 C CA . THR A 1 287 ? 39.479 24.245 -31.188 1.00 27.91 ? 305 THR A CA 1 +ATOM 2216 C C . THR A 1 287 ? 38.711 24.719 -32.425 1.00 26.52 ? 305 THR A C 1 +ATOM 2217 O O . THR A 1 287 ? 37.893 25.616 -32.336 1.00 26.53 ? 305 THR A O 1 +ATOM 2218 C CB . THR A 1 287 ? 40.858 24.936 -31.056 1.00 29.26 ? 305 THR A CB 1 +ATOM 2219 O OG1 . THR A 1 287 ? 41.497 24.456 -29.865 1.00 27.12 ? 305 THR A OG1 1 +ATOM 2220 C CG2 . THR A 1 287 ? 40.707 26.468 -30.940 1.00 27.39 ? 305 THR A CG2 1 +ATOM 2221 N N . LEU A 1 288 ? 38.954 24.087 -33.567 1.00 28.74 ? 306 LEU A N 1 +ATOM 2222 C CA . LEU A 1 288 ? 38.217 24.407 -34.784 1.00 31.21 ? 306 LEU A CA 1 +ATOM 2223 C C . LEU A 1 288 ? 36.721 24.108 -34.611 1.00 30.93 ? 306 LEU A C 1 +ATOM 2224 O O . LEU A 1 288 ? 35.880 24.901 -35.047 1.00 33.18 ? 306 LEU A O 1 +ATOM 2225 C CB . LEU A 1 288 ? 38.737 23.595 -35.973 1.00 33.22 ? 306 LEU A CB 1 +ATOM 2226 C CG . LEU A 1 288 ? 39.986 24.030 -36.732 1.00 36.97 ? 306 LEU A CG 1 +ATOM 2227 C CD1 . LEU A 1 288 ? 40.047 23.204 -38.021 1.00 37.15 ? 306 LEU A CD1 1 +ATOM 2228 C CD2 . LEU A 1 288 ? 39.936 25.531 -37.065 1.00 37.89 ? 306 LEU A CD2 1 +ATOM 2229 N N . ARG A 1 289 ? 36.394 22.969 -33.991 1.00 30.46 ? 307 ARG A N 1 +ATOM 2230 C CA . ARG A 1 289 ? 34.989 22.575 -33.758 1.00 29.37 ? 307 ARG A CA 1 +ATOM 2231 C C . ARG A 1 289 ? 34.344 23.522 -32.791 1.00 26.91 ? 307 ARG A C 1 +ATOM 2232 O O . ARG A 1 289 ? 33.223 23.959 -32.988 1.00 27.02 ? 307 ARG A O 1 +ATOM 2233 C CB . ARG A 1 289 ? 34.862 21.172 -33.145 1.00 29.19 ? 307 ARG A CB 1 +ATOM 2234 C CG . ARG A 1 289 ? 34.653 20.051 -34.128 1.00 34.05 ? 307 ARG A CG 1 +ATOM 2235 C CD . ARG A 1 289 ? 33.751 18.922 -33.575 1.00 34.71 ? 307 ARG A CD 1 +ATOM 2236 N NE . ARG A 1 289 ? 34.063 18.446 -32.216 1.00 33.17 ? 307 ARG A NE 1 +ATOM 2237 C CZ . ARG A 1 289 ? 35.235 17.964 -31.803 1.00 32.38 ? 307 ARG A CZ 1 +ATOM 2238 N NH1 . ARG A 1 289 ? 35.368 17.562 -30.548 1.00 33.51 ? 307 ARG A NH1 1 +ATOM 2239 N NH2 . ARG A 1 289 ? 36.277 17.887 -32.618 1.00 30.81 ? 307 ARG A NH2 1 +ATOM 2240 N N . TYR A 1 290 ? 35.056 23.813 -31.711 1.00 27.90 ? 308 TYR A N 1 +ATOM 2241 C CA . TYR A 1 290 ? 34.532 24.719 -30.705 1.00 26.17 ? 308 TYR A CA 1 +ATOM 2242 C C . TYR A 1 290 ? 34.332 26.104 -31.304 1.00 23.69 ? 308 TYR A C 1 +ATOM 2243 O O . TYR A 1 290 ? 33.323 26.751 -31.037 1.00 25.33 ? 308 TYR A O 1 +ATOM 2244 C CB . TYR A 1 290 ? 35.476 24.775 -29.512 1.00 24.82 ? 308 TYR A CB 1 +ATOM 2245 C CG . TYR A 1 290 ? 34.771 24.737 -28.182 1.00 26.84 ? 308 TYR A CG 1 +ATOM 2246 C CD1 . TYR A 1 290 ? 35.318 24.016 -27.111 1.00 27.55 ? 308 TYR A CD1 1 +ATOM 2247 C CD2 . TYR A 1 290 ? 33.556 25.421 -27.975 1.00 24.84 ? 308 TYR A CD2 1 +ATOM 2248 C CE1 . TYR A 1 290 ? 34.678 23.971 -25.861 1.00 25.65 ? 308 TYR A CE1 1 +ATOM 2249 C CE2 . TYR A 1 290 ? 32.908 25.384 -26.735 1.00 25.63 ? 308 TYR A CE2 1 +ATOM 2250 C CZ . TYR A 1 290 ? 33.481 24.652 -25.680 1.00 27.08 ? 308 TYR A CZ 1 +ATOM 2251 O OH . TYR A 1 290 ? 32.875 24.614 -24.449 1.00 28.22 ? 308 TYR A OH 1 +ATOM 2252 N N . GLY A 1 291 ? 35.293 26.542 -32.117 1.00 25.08 ? 309 GLY A N 1 +ATOM 2253 C CA . GLY A 1 291 ? 35.210 27.842 -32.768 1.00 23.91 ? 309 GLY A CA 1 +ATOM 2254 C C . GLY A 1 291 ? 33.962 27.977 -33.622 1.00 22.54 ? 309 GLY A C 1 +ATOM 2255 O O . GLY A 1 291 ? 33.226 28.934 -33.479 1.00 23.37 ? 309 GLY A O 1 +ATOM 2256 N N . LEU A 1 292 ? 33.714 27.005 -34.495 1.00 24.70 ? 310 LEU A N 1 +ATOM 2257 C CA . LEU A 1 292 ? 32.533 27.034 -35.338 1.00 27.76 ? 310 LEU A CA 1 +ATOM 2258 C C . LEU A 1 292 ? 31.260 26.996 -34.499 1.00 30.94 ? 310 LEU A C 1 +ATOM 2259 O O . LEU A 1 292 ? 30.269 27.643 -34.857 1.00 30.90 ? 310 LEU A O 1 +ATOM 2260 C CB . LEU A 1 292 ? 32.568 25.880 -36.353 1.00 30.54 ? 310 LEU A CB 1 +ATOM 2261 C CG . LEU A 1 292 ? 33.566 26.124 -37.496 1.00 29.95 ? 310 LEU A CG 1 +ATOM 2262 C CD1 . LEU A 1 292 ? 33.605 24.937 -38.422 1.00 31.09 ? 310 LEU A CD1 1 +ATOM 2263 C CD2 . LEU A 1 292 ? 33.161 27.379 -38.274 1.00 31.44 ? 310 LEU A CD2 1 +ATOM 2264 N N . LEU A 1 293 ? 31.282 26.261 -33.383 1.00 29.85 ? 311 LEU A N 1 +ATOM 2265 C CA . LEU A 1 293 ? 30.123 26.211 -32.493 1.00 29.69 ? 311 LEU A CA 1 +ATOM 2266 C C . LEU A 1 293 ? 29.846 27.593 -31.919 1.00 28.68 ? 311 LEU A C 1 +ATOM 2267 O O . LEU A 1 293 ? 28.699 28.024 -31.878 1.00 29.74 ? 311 LEU A O 1 +ATOM 2268 C CB . LEU A 1 293 ? 30.340 25.229 -31.322 1.00 30.65 ? 311 LEU A CB 1 +ATOM 2269 C CG . LEU A 1 293 ? 29.369 25.314 -30.126 1.00 31.57 ? 311 LEU A CG 1 +ATOM 2270 C CD1 . LEU A 1 293 ? 27.946 25.075 -30.584 1.00 31.62 ? 311 LEU A CD1 1 +ATOM 2271 C CD2 . LEU A 1 293 ? 29.746 24.273 -29.063 1.00 35.54 ? 311 LEU A CD2 1 +ATOM 2272 N N . LEU A 1 294 ? 30.893 28.276 -31.462 1.00 28.29 ? 312 LEU A N 1 +ATOM 2273 C CA . LEU A 1 294 ? 30.739 29.610 -30.871 1.00 29.86 ? 312 LEU A CA 1 +ATOM 2274 C C . LEU A 1 294 ? 30.361 30.645 -31.928 1.00 30.97 ? 312 LEU A C 1 +ATOM 2275 O O . LEU A 1 294 ? 29.697 31.638 -31.622 1.00 31.89 ? 312 LEU A O 1 +ATOM 2276 C CB . LEU A 1 294 ? 32.036 30.030 -30.156 1.00 27.47 ? 312 LEU A CB 1 +ATOM 2277 C CG . LEU A 1 294 ? 32.449 29.130 -28.978 1.00 29.96 ? 312 LEU A CG 1 +ATOM 2278 C CD1 . LEU A 1 294 ? 33.946 29.245 -28.717 1.00 25.95 ? 312 LEU A CD1 1 +ATOM 2279 C CD2 . LEU A 1 294 ? 31.629 29.504 -27.733 1.00 26.40 ? 312 LEU A CD2 1 +ATOM 2280 N N . LEU A 1 295 ? 30.789 30.413 -33.167 1.00 30.63 ? 313 LEU A N 1 +ATOM 2281 C CA . LEU A 1 295 ? 30.470 31.328 -34.253 1.00 33.22 ? 313 LEU A CA 1 +ATOM 2282 C C . LEU A 1 295 ? 29.011 31.101 -34.667 1.00 33.88 ? 313 LEU A C 1 +ATOM 2283 O O . LEU A 1 295 ? 28.306 32.039 -35.022 1.00 31.12 ? 313 LEU A O 1 +ATOM 2284 C CB . LEU A 1 295 ? 31.424 31.104 -35.435 1.00 32.18 ? 313 LEU A CB 1 +ATOM 2285 C CG . LEU A 1 295 ? 32.879 31.547 -35.231 1.00 33.05 ? 313 LEU A CG 1 +ATOM 2286 C CD1 . LEU A 1 295 ? 33.687 31.168 -36.443 1.00 30.28 ? 313 LEU A CD1 1 +ATOM 2287 C CD2 . LEU A 1 295 ? 32.959 33.052 -34.986 1.00 30.36 ? 313 LEU A CD2 1 +ATOM 2288 N N . LEU A 1 296 ? 28.576 29.845 -34.593 1.00 34.87 ? 314 LEU A N 1 +ATOM 2289 C CA . LEU A 1 296 ? 27.209 29.444 -34.920 1.00 36.70 ? 314 LEU A CA 1 +ATOM 2290 C C . LEU A 1 296 ? 26.259 30.099 -33.924 1.00 36.09 ? 314 LEU A C 1 +ATOM 2291 O O . LEU A 1 296 ? 25.235 30.663 -34.300 1.00 36.96 ? 314 LEU A O 1 +ATOM 2292 C CB . LEU A 1 296 ? 27.061 27.925 -34.788 1.00 37.98 ? 314 LEU A CB 1 +ATOM 2293 C CG . LEU A 1 296 ? 26.135 27.116 -35.704 1.00 40.78 ? 314 LEU A CG 1 +ATOM 2294 C CD1 . LEU A 1 296 ? 25.751 25.842 -34.959 1.00 36.49 ? 314 LEU A CD1 1 +ATOM 2295 C CD2 . LEU A 1 296 ? 24.890 27.902 -36.102 1.00 40.37 ? 314 LEU A CD2 1 +ATOM 2296 N N . LYS A 1 297 ? 26.631 30.009 -32.652 1.00 34.03 ? 315 LYS A N 1 +ATOM 2297 C CA . LYS A 1 297 ? 25.871 30.543 -31.527 1.00 34.13 ? 315 LYS A CA 1 +ATOM 2298 C C . LYS A 1 297 ? 25.885 32.068 -31.439 1.00 33.35 ? 315 LYS A C 1 +ATOM 2299 O O . LYS A 1 297 ? 24.980 32.664 -30.863 1.00 32.65 ? 315 LYS A O 1 +ATOM 2300 C CB . LYS A 1 297 ? 26.435 29.942 -30.229 1.00 33.59 ? 315 LYS A CB 1 +ATOM 2301 C CG . LYS A 1 297 ? 25.799 30.416 -28.929 1.00 37.13 ? 315 LYS A CG 1 +ATOM 2302 C CD . LYS A 1 297 ? 24.430 29.797 -28.686 1.00 36.35 ? 315 LYS A CD 1 +ATOM 2303 C CE . LYS A 1 297 ? 23.916 30.205 -27.312 1.00 38.48 ? 315 LYS A CE 1 +ATOM 2304 N NZ . LYS A 1 297 ? 22.597 29.578 -26.999 1.00 41.66 ? 315 LYS A NZ 1 +ATOM 2305 N N . HIS A 1 298 ? 26.917 32.695 -31.998 1.00 34.40 ? 316 HIS A N 1 +ATOM 2306 C CA . HIS A 1 298 ? 27.041 34.150 -31.945 1.00 34.83 ? 316 HIS A CA 1 +ATOM 2307 C C . HIS A 1 298 ? 27.082 34.726 -33.367 1.00 35.73 ? 316 HIS A C 1 +ATOM 2308 O O . HIS A 1 298 ? 28.156 35.019 -33.895 1.00 34.53 ? 316 HIS A O 1 +ATOM 2309 C CB . HIS A 1 298 ? 28.304 34.538 -31.159 1.00 34.89 ? 316 HIS A CB 1 +ATOM 2310 C CG . HIS A 1 298 ? 28.272 34.127 -29.718 1.00 34.69 ? 316 HIS A CG 1 +ATOM 2311 N ND1 . HIS A 1 298 ? 27.746 34.926 -28.726 1.00 36.13 ? 316 HIS A ND1 1 +ATOM 2312 C CD2 . HIS A 1 298 ? 28.649 32.976 -29.110 1.00 33.59 ? 316 HIS A CD2 1 +ATOM 2313 C CE1 . HIS A 1 298 ? 27.798 34.286 -27.571 1.00 34.37 ? 316 HIS A CE1 1 +ATOM 2314 N NE2 . HIS A 1 298 ? 28.342 33.100 -27.777 1.00 33.60 ? 316 HIS A NE2 1 +ATOM 2315 N N . PRO A 1 299 ? 25.901 34.897 -33.997 1.00 34.79 ? 317 PRO A N 1 +ATOM 2316 C CA . PRO A 1 299 ? 25.767 35.432 -35.358 1.00 35.74 ? 317 PRO A CA 1 +ATOM 2317 C C . PRO A 1 299 ? 26.346 36.836 -35.528 1.00 33.22 ? 317 PRO A C 1 +ATOM 2318 O O . PRO A 1 299 ? 26.914 37.149 -36.567 1.00 34.07 ? 317 PRO A O 1 +ATOM 2319 C CB . PRO A 1 299 ? 24.252 35.414 -35.596 1.00 35.52 ? 317 PRO A CB 1 +ATOM 2320 C CG . PRO A 1 299 ? 23.737 34.420 -34.633 1.00 36.53 ? 317 PRO A CG 1 +ATOM 2321 C CD . PRO A 1 299 ? 24.567 34.659 -33.416 1.00 34.95 ? 317 PRO A CD 1 +ATOM 2322 N N . GLU A 1 300 ? 26.191 37.668 -34.504 1.00 33.81 ? 318 GLU A N 1 +ATOM 2323 C CA . GLU A 1 300 ? 26.700 39.029 -34.522 1.00 36.51 ? 318 GLU A CA 1 +ATOM 2324 C C . GLU A 1 300 ? 28.221 39.039 -34.639 1.00 37.44 ? 318 GLU A C 1 +ATOM 2325 O O . GLU A 1 300 ? 28.785 39.863 -35.360 1.00 37.95 ? 318 GLU A O 1 +ATOM 2326 C CB . GLU A 1 300 ? 26.243 39.802 -33.267 1.00 39.07 ? 318 GLU A CB 1 +ATOM 2327 C CG . GLU A 1 300 ? 26.962 39.503 -31.935 1.00 45.40 ? 318 GLU A CG 1 +ATOM 2328 C CD . GLU A 1 300 ? 26.511 38.220 -31.226 1.00 47.85 ? 318 GLU A CD 1 +ATOM 2329 O OE1 . GLU A 1 300 ? 26.944 38.022 -30.069 1.00 52.00 ? 318 GLU A OE1 1 +ATOM 2330 O OE2 . GLU A 1 300 ? 25.741 37.412 -31.796 1.00 48.85 ? 318 GLU A OE2 1 +ATOM 2331 N N . VAL A 1 301 ? 28.879 38.113 -33.943 1.00 35.14 ? 319 VAL A N 1 +ATOM 2332 C CA . VAL A 1 301 ? 30.331 38.007 -33.983 1.00 32.96 ? 319 VAL A CA 1 +ATOM 2333 C C . VAL A 1 301 ? 30.771 37.521 -35.358 1.00 31.95 ? 319 VAL A C 1 +ATOM 2334 O O . VAL A 1 301 ? 31.712 38.056 -35.935 1.00 32.31 ? 319 VAL A O 1 +ATOM 2335 C CB . VAL A 1 301 ? 30.858 37.025 -32.884 1.00 32.07 ? 319 VAL A CB 1 +ATOM 2336 C CG1 . VAL A 1 301 ? 32.302 36.628 -33.166 1.00 28.61 ? 319 VAL A CG1 1 +ATOM 2337 C CG2 . VAL A 1 301 ? 30.759 37.681 -31.512 1.00 31.80 ? 319 VAL A CG2 1 +ATOM 2338 N N . THR A 1 302 ? 30.090 36.502 -35.878 1.00 32.95 ? 320 THR A N 1 +ATOM 2339 C CA . THR A 1 302 ? 30.436 35.947 -37.183 1.00 34.27 ? 320 THR A CA 1 +ATOM 2340 C C . THR A 1 302 ? 30.317 37.002 -38.286 1.00 35.90 ? 320 THR A C 1 +ATOM 2341 O O . THR A 1 302 ? 31.173 37.081 -39.171 1.00 34.76 ? 320 THR A O 1 +ATOM 2342 C CB . THR A 1 302 ? 29.545 34.733 -37.508 1.00 34.05 ? 320 THR A CB 1 +ATOM 2343 O OG1 . THR A 1 302 ? 29.758 33.724 -36.514 1.00 32.26 ? 320 THR A OG1 1 +ATOM 2344 C CG2 . THR A 1 302 ? 29.883 34.147 -38.882 1.00 32.34 ? 320 THR A CG2 1 +ATOM 2345 N N . ALA A 1 303 ? 29.264 37.813 -38.207 1.00 36.28 ? 321 ALA A N 1 +ATOM 2346 C CA . ALA A 1 303 ? 29.007 38.875 -39.175 1.00 37.35 ? 321 ALA A CA 1 +ATOM 2347 C C . ALA A 1 303 ? 30.155 39.882 -39.243 1.00 36.78 ? 321 ALA A C 1 +ATOM 2348 O O . ALA A 1 303 ? 30.617 40.198 -40.334 1.00 34.63 ? 321 ALA A O 1 +ATOM 2349 C CB . ALA A 1 303 ? 27.701 39.594 -38.831 1.00 37.32 ? 321 ALA A CB 1 +ATOM 2350 N N . LYS A 1 304 ? 30.614 40.374 -38.086 1.00 38.09 ? 322 LYS A N 1 +ATOM 2351 C CA . LYS A 1 304 ? 31.713 41.346 -38.045 1.00 38.70 ? 322 LYS A CA 1 +ATOM 2352 C C . LYS A 1 304 ? 33.001 40.752 -38.612 1.00 38.86 ? 322 LYS A C 1 +ATOM 2353 O O . LYS A 1 304 ? 33.778 41.451 -39.273 1.00 39.43 ? 322 LYS A O 1 +ATOM 2354 C CB . LYS A 1 304 ? 31.954 41.844 -36.620 1.00 40.09 ? 322 LYS A CB 1 +ATOM 2355 C CG . LYS A 1 304 ? 30.730 42.474 -35.982 1.00 47.05 ? 322 LYS A CG 1 +ATOM 2356 C CD . LYS A 1 304 ? 30.988 42.953 -34.555 1.00 51.06 ? 322 LYS A CD 1 +ATOM 2357 C CE . LYS A 1 304 ? 29.677 43.330 -33.868 1.00 54.95 ? 322 LYS A CE 1 +ATOM 2358 N NZ . LYS A 1 304 ? 29.871 43.877 -32.491 1.00 57.76 ? 322 LYS A NZ 1 +ATOM 2359 N N . VAL A 1 305 ? 33.223 39.464 -38.365 1.00 36.22 ? 323 VAL A N 1 +ATOM 2360 C CA . VAL A 1 305 ? 34.410 38.791 -38.892 1.00 34.27 ? 323 VAL A CA 1 +ATOM 2361 C C . VAL A 1 305 ? 34.348 38.738 -40.411 1.00 33.53 ? 323 VAL A C 1 +ATOM 2362 O O . VAL A 1 305 ? 35.321 39.078 -41.081 1.00 36.59 ? 323 VAL A O 1 +ATOM 2363 C CB . VAL A 1 305 ? 34.551 37.352 -38.322 1.00 28.92 ? 323 VAL A CB 1 +ATOM 2364 C CG1 . VAL A 1 305 ? 35.641 36.590 -39.041 1.00 25.59 ? 323 VAL A CG1 1 +ATOM 2365 C CG2 . VAL A 1 305 ? 34.878 37.432 -36.850 1.00 29.97 ? 323 VAL A CG2 1 +ATOM 2366 N N . GLN A 1 306 ? 33.211 38.305 -40.948 1.00 33.47 ? 324 GLN A N 1 +ATOM 2367 C CA . GLN A 1 306 ? 33.019 38.219 -42.400 1.00 33.96 ? 324 GLN A CA 1 +ATOM 2368 C C . GLN A 1 306 ? 33.094 39.594 -43.076 1.00 34.19 ? 324 GLN A C 1 +ATOM 2369 O O . GLN A 1 306 ? 33.433 39.696 -44.253 1.00 32.62 ? 324 GLN A O 1 +ATOM 2370 C CB . GLN A 1 306 ? 31.672 37.580 -42.718 1.00 30.50 ? 324 GLN A CB 1 +ATOM 2371 C CG . GLN A 1 306 ? 31.633 36.104 -42.433 1.00 32.84 ? 324 GLN A CG 1 +ATOM 2372 C CD . GLN A 1 306 ? 30.256 35.521 -42.611 1.00 28.55 ? 324 GLN A CD 1 +ATOM 2373 O OE1 . GLN A 1 306 ? 29.272 36.108 -42.173 1.00 31.56 ? 324 GLN A OE1 1 +ATOM 2374 N NE2 . GLN A 1 306 ? 30.177 34.354 -43.241 1.00 25.80 ? 324 GLN A NE2 1 +ATOM 2375 N N . GLU A 1 307 ? 32.758 40.634 -42.319 1.00 35.09 ? 325 GLU A N 1 +ATOM 2376 C CA . GLU A 1 307 ? 32.798 41.995 -42.808 1.00 39.54 ? 325 GLU A CA 1 +ATOM 2377 C C . GLU A 1 307 ? 34.262 42.419 -42.890 1.00 40.48 ? 325 GLU A C 1 +ATOM 2378 O O . GLU A 1 307 ? 34.691 43.031 -43.865 1.00 39.96 ? 325 GLU A O 1 +ATOM 2379 C CB . GLU A 1 307 ? 32.036 42.914 -41.857 1.00 43.11 ? 325 GLU A CB 1 +ATOM 2380 C CG . GLU A 1 307 ? 31.909 44.331 -42.375 1.00 49.28 ? 325 GLU A CG 1 +ATOM 2381 C CD . GLU A 1 307 ? 32.177 45.354 -41.299 1.00 53.94 ? 325 GLU A CD 1 +ATOM 2382 O OE1 . GLU A 1 307 ? 31.337 45.484 -40.376 1.00 54.18 ? 325 GLU A OE1 1 +ATOM 2383 O OE2 . GLU A 1 307 ? 33.238 46.020 -41.377 1.00 56.87 ? 325 GLU A OE2 1 +ATOM 2384 N N . GLU A 1 308 ? 35.023 42.083 -41.853 1.00 40.85 ? 326 GLU A N 1 +ATOM 2385 C CA . GLU A 1 308 ? 36.440 42.399 -41.813 1.00 39.45 ? 326 GLU A CA 1 +ATOM 2386 C C . GLU A 1 308 ? 37.128 41.631 -42.952 1.00 38.94 ? 326 GLU A C 1 +ATOM 2387 O O . GLU A 1 308 ? 38.004 42.173 -43.625 1.00 41.17 ? 326 GLU A O 1 +ATOM 2388 C CB . GLU A 1 308 ? 37.010 42.008 -40.451 1.00 40.36 ? 326 GLU A CB 1 +ATOM 2389 C CG . GLU A 1 308 ? 38.195 42.829 -40.010 1.00 44.34 ? 326 GLU A CG 1 +ATOM 2390 C CD . GLU A 1 308 ? 38.666 42.459 -38.612 1.00 45.30 ? 326 GLU A CD 1 +ATOM 2391 O OE1 . GLU A 1 308 ? 38.878 41.254 -38.370 1.00 45.75 ? 326 GLU A OE1 1 +ATOM 2392 O OE2 . GLU A 1 308 ? 38.833 43.368 -37.766 1.00 41.72 ? 326 GLU A OE2 1 +ATOM 2393 N N . ILE A 1 309 ? 36.715 40.385 -43.186 1.00 36.06 ? 327 ILE A N 1 +ATOM 2394 C CA . ILE A 1 309 ? 37.293 39.585 -44.271 1.00 35.63 ? 327 ILE A CA 1 +ATOM 2395 C C . ILE A 1 309 ? 37.010 40.267 -45.625 1.00 38.32 ? 327 ILE A C 1 +ATOM 2396 O O . ILE A 1 309 ? 37.899 40.385 -46.474 1.00 38.52 ? 327 ILE A O 1 +ATOM 2397 C CB . ILE A 1 309 ? 36.699 38.154 -44.327 1.00 31.71 ? 327 ILE A CB 1 +ATOM 2398 C CG1 . ILE A 1 309 ? 37.111 37.339 -43.083 1.00 34.57 ? 327 ILE A CG1 1 +ATOM 2399 C CG2 . ILE A 1 309 ? 37.170 37.441 -45.592 1.00 30.55 ? 327 ILE A CG2 1 +ATOM 2400 C CD1 . ILE A 1 309 ? 36.526 35.904 -43.052 1.00 25.86 ? 327 ILE A CD1 1 +ATOM 2401 N N . ASP A 1 310 ? 35.773 40.711 -45.819 1.00 37.79 ? 328 ASP A N 1 +ATOM 2402 C CA . ASP A 1 310 ? 35.387 41.359 -47.067 1.00 40.34 ? 328 ASP A CA 1 +ATOM 2403 C C . ASP A 1 310 ? 36.240 42.600 -47.343 1.00 39.40 ? 328 ASP A C 1 +ATOM 2404 O O . ASP A 1 310 ? 36.705 42.804 -48.457 1.00 40.73 ? 328 ASP A O 1 +ATOM 2405 C CB . ASP A 1 310 ? 33.909 41.737 -47.024 1.00 38.66 ? 328 ASP A CB 1 +ATOM 2406 C CG . ASP A 1 310 ? 33.330 41.968 -48.405 1.00 40.73 ? 328 ASP A CG 1 +ATOM 2407 O OD1 . ASP A 1 310 ? 32.748 43.052 -48.618 1.00 42.97 ? 328 ASP A OD1 1 +ATOM 2408 O OD2 . ASP A 1 310 ? 33.451 41.065 -49.268 1.00 35.03 ? 328 ASP A OD2 1 +ATOM 2409 N N . HIS A 1 311 ? 36.465 43.395 -46.303 1.00 40.42 ? 329 HIS A N 1 +ATOM 2410 C CA . HIS A 1 311 ? 37.242 44.623 -46.378 1.00 40.40 ? 329 HIS A CA 1 +ATOM 2411 C C . HIS A 1 311 ? 38.737 44.434 -46.656 1.00 41.80 ? 329 HIS A C 1 +ATOM 2412 O O . HIS A 1 311 ? 39.296 45.083 -47.552 1.00 41.67 ? 329 HIS A O 1 +ATOM 2413 C CB . HIS A 1 311 ? 37.033 45.407 -45.074 1.00 43.57 ? 329 HIS A CB 1 +ATOM 2414 C CG . HIS A 1 311 ? 37.952 46.580 -44.897 1.00 48.43 ? 329 HIS A CG 1 +ATOM 2415 N ND1 . HIS A 1 311 ? 38.284 47.435 -45.928 1.00 50.70 ? 329 HIS A ND1 1 +ATOM 2416 C CD2 . HIS A 1 311 ? 38.568 47.066 -43.793 1.00 49.75 ? 329 HIS A CD2 1 +ATOM 2417 C CE1 . HIS A 1 311 ? 39.065 48.395 -45.465 1.00 52.89 ? 329 HIS A CE1 1 +ATOM 2418 N NE2 . HIS A 1 311 ? 39.252 48.195 -44.173 1.00 53.08 ? 329 HIS A NE2 1 +ATOM 2419 N N . VAL A 1 312 ? 39.377 43.546 -45.899 1.00 39.73 ? 330 VAL A N 1 +ATOM 2420 C CA . VAL A 1 312 ? 40.814 43.310 -46.028 1.00 38.10 ? 330 VAL A CA 1 +ATOM 2421 C C . VAL A 1 312 ? 41.224 42.286 -47.088 1.00 38.56 ? 330 VAL A C 1 +ATOM 2422 O O . VAL A 1 312 ? 42.238 42.456 -47.764 1.00 40.33 ? 330 VAL A O 1 +ATOM 2423 C CB . VAL A 1 312 ? 41.407 42.897 -44.643 1.00 37.86 ? 330 VAL A CB 1 +ATOM 2424 C CG1 . VAL A 1 312 ? 42.915 42.694 -44.729 1.00 37.17 ? 330 VAL A CG1 1 +ATOM 2425 C CG2 . VAL A 1 312 ? 41.083 43.968 -43.607 1.00 34.74 ? 330 VAL A CG2 1 +ATOM 2426 N N . ILE A 1 313 ? 40.429 41.241 -47.259 1.00 39.62 ? 331 ILE A N 1 +ATOM 2427 C CA . ILE A 1 313 ? 40.767 40.179 -48.204 1.00 41.30 ? 331 ILE A CA 1 +ATOM 2428 C C . ILE A 1 313 ? 39.944 40.160 -49.492 1.00 42.49 ? 331 ILE A C 1 +ATOM 2429 O O . ILE A 1 313 ? 40.478 39.871 -50.566 1.00 40.25 ? 331 ILE A O 1 +ATOM 2430 C CB . ILE A 1 313 ? 40.655 38.795 -47.508 1.00 40.48 ? 331 ILE A CB 1 +ATOM 2431 C CG1 . ILE A 1 313 ? 41.448 38.812 -46.193 1.00 41.63 ? 331 ILE A CG1 1 +ATOM 2432 C CG2 . ILE A 1 313 ? 41.202 37.697 -48.412 1.00 39.18 ? 331 ILE A CG2 1 +ATOM 2433 C CD1 . ILE A 1 313 ? 41.046 37.726 -45.221 1.00 41.85 ? 331 ILE A CD1 1 +ATOM 2434 N N . GLY A 1 314 ? 38.651 40.449 -49.385 1.00 44.42 ? 332 GLY A N 1 +ATOM 2435 C CA . GLY A 1 314 ? 37.807 40.440 -50.566 1.00 48.02 ? 332 GLY A CA 1 +ATOM 2436 C C . GLY A 1 314 ? 37.203 39.080 -50.864 1.00 51.34 ? 332 GLY A C 1 +ATOM 2437 O O . GLY A 1 314 ? 37.149 38.206 -49.991 1.00 51.61 ? 332 GLY A O 1 +ATOM 2438 N N . ARG A 1 315 ? 36.773 38.891 -52.108 1.00 53.18 ? 333 ARG A N 1 +ATOM 2439 C CA . ARG A 1 315 ? 36.127 37.647 -52.523 1.00 57.33 ? 333 ARG A CA 1 +ATOM 2440 C C . ARG A 1 315 ? 36.898 36.833 -53.568 1.00 58.91 ? 333 ARG A C 1 +ATOM 2441 O O . ARG A 1 315 ? 36.534 35.688 -53.849 1.00 59.55 ? 333 ARG A O 1 +ATOM 2442 C CB . ARG A 1 315 ? 34.725 37.951 -53.080 1.00 58.68 ? 333 ARG A CB 1 +ATOM 2443 C CG . ARG A 1 315 ? 33.885 38.935 -52.263 1.00 60.76 ? 333 ARG A CG 1 +ATOM 2444 C CD . ARG A 1 315 ? 32.646 39.360 -53.053 1.00 63.25 ? 333 ARG A CD 1 +ATOM 2445 N NE . ARG A 1 315 ? 31.911 40.467 -52.437 1.00 65.24 ? 333 ARG A NE 1 +ATOM 2446 C CZ . ARG A 1 315 ? 31.129 40.373 -51.362 1.00 66.77 ? 333 ARG A CZ 1 +ATOM 2447 N NH1 . ARG A 1 315 ? 30.952 39.207 -50.745 1.00 69.07 ? 333 ARG A NH1 1 +ATOM 2448 N NH2 . ARG A 1 315 ? 30.521 41.456 -50.896 1.00 65.55 ? 333 ARG A NH2 1 +ATOM 2449 N N . HIS A 1 316 ? 37.953 37.405 -54.143 1.00 60.76 ? 334 HIS A N 1 +ATOM 2450 C CA . HIS A 1 316 ? 38.717 36.694 -55.172 1.00 62.65 ? 334 HIS A CA 1 +ATOM 2451 C C . HIS A 1 316 ? 40.086 36.180 -54.723 1.00 62.12 ? 334 HIS A C 1 +ATOM 2452 O O . HIS A 1 316 ? 40.815 35.571 -55.516 1.00 62.53 ? 334 HIS A O 1 +ATOM 2453 C CB . HIS A 1 316 ? 38.891 37.580 -56.416 1.00 65.34 ? 334 HIS A CB 1 +ATOM 2454 C CG . HIS A 1 316 ? 37.599 38.023 -57.034 1.00 69.11 ? 334 HIS A CG 1 +ATOM 2455 N ND1 . HIS A 1 316 ? 36.908 39.136 -56.602 1.00 70.22 ? 334 HIS A ND1 1 +ATOM 2456 C CD2 . HIS A 1 316 ? 36.857 37.483 -58.030 1.00 70.41 ? 334 HIS A CD2 1 +ATOM 2457 C CE1 . HIS A 1 316 ? 35.797 39.262 -57.304 1.00 71.07 ? 334 HIS A CE1 1 +ATOM 2458 N NE2 . HIS A 1 316 ? 35.741 38.272 -58.177 1.00 72.06 ? 334 HIS A NE2 1 +ATOM 2459 N N . ARG A 1 317 ? 40.429 36.408 -53.458 1.00 59.29 ? 335 ARG A N 1 +ATOM 2460 C CA . ARG A 1 317 ? 41.721 35.977 -52.938 1.00 56.50 ? 335 ARG A CA 1 +ATOM 2461 C C . ARG A 1 317 ? 41.603 35.196 -51.628 1.00 54.83 ? 335 ARG A C 1 +ATOM 2462 O O . ARG A 1 317 ? 40.828 35.561 -50.745 1.00 52.76 ? 335 ARG A O 1 +ATOM 2463 C CB . ARG A 1 317 ? 42.616 37.200 -52.722 1.00 55.67 ? 335 ARG A CB 1 +ATOM 2464 C CG . ARG A 1 317 ? 44.055 36.875 -52.389 1.00 55.19 ? 335 ARG A CG 1 +ATOM 2465 C CD . ARG A 1 317 ? 44.792 38.092 -51.856 1.00 55.75 ? 335 ARG A CD 1 +ATOM 2466 N NE . ARG A 1 317 ? 44.273 38.529 -50.560 1.00 56.86 ? 335 ARG A NE 1 +ATOM 2467 C CZ . ARG A 1 317 ? 44.795 39.512 -49.829 1.00 58.33 ? 335 ARG A CZ 1 +ATOM 2468 N NH1 . ARG A 1 317 ? 44.252 39.836 -48.668 1.00 56.63 ? 335 ARG A NH1 1 +ATOM 2469 N NH2 . ARG A 1 317 ? 45.863 40.177 -50.251 1.00 62.54 ? 335 ARG A NH2 1 +ATOM 2470 N N . SER A 1 318 ? 42.388 34.127 -51.518 1.00 53.19 ? 336 SER A N 1 +ATOM 2471 C CA . SER A 1 318 ? 42.420 33.290 -50.323 1.00 52.16 ? 336 SER A CA 1 +ATOM 2472 C C . SER A 1 318 ? 43.132 34.071 -49.219 1.00 49.83 ? 336 SER A C 1 +ATOM 2473 O O . SER A 1 318 ? 44.121 34.753 -49.486 1.00 52.13 ? 336 SER A O 1 +ATOM 2474 C CB . SER A 1 318 ? 43.189 31.999 -50.607 1.00 53.06 ? 336 SER A CB 1 +ATOM 2475 O OG . SER A 1 318 ? 42.589 31.265 -51.664 1.00 57.55 ? 336 SER A OG 1 +ATOM 2476 N N . PRO A 1 319 ? 42.637 34.000 -47.969 1.00 47.51 ? 337 PRO A N 1 +ATOM 2477 C CA . PRO A 1 319 ? 43.312 34.745 -46.898 1.00 44.98 ? 337 PRO A CA 1 +ATOM 2478 C C . PRO A 1 319 ? 44.725 34.244 -46.601 1.00 42.47 ? 337 PRO A C 1 +ATOM 2479 O O . PRO A 1 319 ? 45.090 33.132 -46.970 1.00 40.57 ? 337 PRO A O 1 +ATOM 2480 C CB . PRO A 1 319 ? 42.359 34.588 -45.708 1.00 45.97 ? 337 PRO A CB 1 +ATOM 2481 C CG . PRO A 1 319 ? 41.615 33.335 -46.013 1.00 46.63 ? 337 PRO A CG 1 +ATOM 2482 C CD . PRO A 1 319 ? 41.378 33.408 -47.482 1.00 45.30 ? 337 PRO A CD 1 +ATOM 2483 N N . CYS A 1 320 ? 45.516 35.084 -45.943 1.00 41.17 ? 338 CYS A N 1 +ATOM 2484 C CA . CYS A 1 320 ? 46.892 34.742 -45.601 1.00 41.06 ? 338 CYS A CA 1 +ATOM 2485 C C . CYS A 1 320 ? 47.219 35.401 -44.269 1.00 39.03 ? 338 CYS A C 1 +ATOM 2486 O O . CYS A 1 320 ? 46.469 36.261 -43.805 1.00 38.38 ? 338 CYS A O 1 +ATOM 2487 C CB . CYS A 1 320 ? 47.851 35.233 -46.697 1.00 44.13 ? 338 CYS A CB 1 +ATOM 2488 S SG . CYS A 1 320 ? 48.042 37.022 -46.743 1.00 45.14 ? 338 CYS A SG 1 +ATOM 2489 N N . MET A 1 321 ? 48.336 35.007 -43.662 1.00 37.97 ? 339 MET A N 1 +ATOM 2490 C CA . MET A 1 321 ? 48.731 35.530 -42.359 1.00 37.90 ? 339 MET A CA 1 +ATOM 2491 C C . MET A 1 321 ? 49.019 37.019 -42.305 1.00 38.77 ? 339 MET A C 1 +ATOM 2492 O O . MET A 1 321 ? 48.917 37.629 -41.238 1.00 38.97 ? 339 MET A O 1 +ATOM 2493 C CB . MET A 1 321 ? 49.937 34.756 -41.812 1.00 38.11 ? 339 MET A CB 1 +ATOM 2494 C CG . MET A 1 321 ? 49.675 33.275 -41.515 1.00 37.52 ? 339 MET A CG 1 +ATOM 2495 S SD . MET A 1 321 ? 48.181 32.930 -40.535 1.00 37.11 ? 339 MET A SD 1 +ATOM 2496 C CE . MET A 1 321 ? 48.427 33.969 -39.137 1.00 32.93 ? 339 MET A CE 1 +ATOM 2497 N N . GLN A 1 322 ? 49.388 37.607 -43.443 1.00 40.92 ? 340 GLN A N 1 +ATOM 2498 C CA . GLN A 1 322 ? 49.669 39.042 -43.499 1.00 41.77 ? 340 GLN A CA 1 +ATOM 2499 C C . GLN A 1 322 ? 48.400 39.819 -43.166 1.00 39.68 ? 340 GLN A C 1 +ATOM 2500 O O . GLN A 1 322 ? 48.452 40.875 -42.531 1.00 39.71 ? 340 GLN A O 1 +ATOM 2501 C CB . GLN A 1 322 ? 50.168 39.429 -44.892 1.00 46.75 ? 340 GLN A CB 1 +ATOM 2502 C CG . GLN A 1 322 ? 50.476 40.911 -45.050 1.00 51.30 ? 340 GLN A CG 1 +ATOM 2503 C CD . GLN A 1 322 ? 51.877 41.155 -45.545 1.00 56.28 ? 340 GLN A CD 1 +ATOM 2504 O OE1 . GLN A 1 322 ? 52.237 40.746 -46.654 1.00 58.19 ? 340 GLN A OE1 1 +ATOM 2505 N NE2 . GLN A 1 322 ? 52.686 41.822 -44.724 1.00 58.25 ? 340 GLN A NE2 1 +ATOM 2506 N N . ASP A 1 323 ? 47.261 39.276 -43.586 1.00 39.88 ? 341 ASP A N 1 +ATOM 2507 C CA . ASP A 1 323 ? 45.958 39.891 -43.341 1.00 40.66 ? 341 ASP A CA 1 +ATOM 2508 C C . ASP A 1 323 ? 45.588 40.033 -41.871 1.00 41.50 ? 341 ASP A C 1 +ATOM 2509 O O . ASP A 1 323 ? 44.852 40.949 -41.512 1.00 43.51 ? 341 ASP A O 1 +ATOM 2510 C CB . ASP A 1 323 ? 44.865 39.090 -44.032 1.00 40.70 ? 341 ASP A CB 1 +ATOM 2511 C CG . ASP A 1 323 ? 45.001 39.104 -45.521 1.00 42.51 ? 341 ASP A CG 1 +ATOM 2512 O OD1 . ASP A 1 323 ? 45.133 40.214 -46.077 1.00 46.67 ? 341 ASP A OD1 1 +ATOM 2513 O OD2 . ASP A 1 323 ? 44.969 38.018 -46.134 1.00 41.92 ? 341 ASP A OD2 1 +ATOM 2514 N N . ARG A 1 324 ? 46.093 39.131 -41.029 1.00 42.57 ? 342 ARG A N 1 +ATOM 2515 C CA . ARG A 1 324 ? 45.790 39.144 -39.600 1.00 42.82 ? 342 ARG A CA 1 +ATOM 2516 C C . ARG A 1 324 ? 46.181 40.441 -38.911 1.00 42.71 ? 342 ARG A C 1 +ATOM 2517 O O . ARG A 1 324 ? 45.536 40.863 -37.949 1.00 40.20 ? 342 ARG A O 1 +ATOM 2518 C CB . ARG A 1 324 ? 46.476 37.968 -38.899 1.00 44.26 ? 342 ARG A CB 1 +ATOM 2519 C CG . ARG A 1 324 ? 46.106 37.846 -37.427 1.00 45.93 ? 342 ARG A CG 1 +ATOM 2520 C CD . ARG A 1 324 ? 47.330 37.528 -36.600 1.00 51.34 ? 342 ARG A CD 1 +ATOM 2521 N NE . ARG A 1 324 ? 47.548 36.091 -36.476 1.00 51.76 ? 342 ARG A NE 1 +ATOM 2522 C CZ . ARG A 1 324 ? 48.676 35.533 -36.045 1.00 50.84 ? 342 ARG A CZ 1 +ATOM 2523 N NH1 . ARG A 1 324 ? 49.714 36.287 -35.697 1.00 48.54 ? 342 ARG A NH1 1 +ATOM 2524 N NH2 . ARG A 1 324 ? 48.756 34.213 -35.948 1.00 51.27 ? 342 ARG A NH2 1 +ATOM 2525 N N . SER A 1 325 ? 47.241 41.071 -39.405 1.00 45.31 ? 343 SER A N 1 +ATOM 2526 C CA . SER A 1 325 ? 47.712 42.331 -38.837 1.00 47.38 ? 343 SER A CA 1 +ATOM 2527 C C . SER A 1 325 ? 46.693 43.450 -39.079 1.00 46.14 ? 343 SER A C 1 +ATOM 2528 O O . SER A 1 325 ? 46.648 44.429 -38.335 1.00 46.02 ? 343 SER A O 1 +ATOM 2529 C CB . SER A 1 325 ? 49.059 42.715 -39.458 1.00 49.25 ? 343 SER A CB 1 +ATOM 2530 O OG . SER A 1 325 ? 49.627 43.820 -38.775 1.00 52.51 ? 343 SER A OG 1 +ATOM 2531 N N . HIS A 1 326 ? 45.863 43.287 -40.105 1.00 45.06 ? 344 HIS A N 1 +ATOM 2532 C CA . HIS A 1 326 ? 44.855 44.293 -40.438 1.00 45.65 ? 344 HIS A CA 1 +ATOM 2533 C C . HIS A 1 326 ? 43.448 43.869 -40.042 1.00 45.45 ? 344 HIS A C 1 +ATOM 2534 O O . HIS A 1 326 ? 42.469 44.549 -40.371 1.00 44.67 ? 344 HIS A O 1 +ATOM 2535 C CB . HIS A 1 326 ? 44.902 44.599 -41.935 1.00 46.84 ? 344 HIS A CB 1 +ATOM 2536 C CG . HIS A 1 326 ? 46.271 44.943 -42.431 1.00 49.88 ? 344 HIS A CG 1 +ATOM 2537 N ND1 . HIS A 1 326 ? 47.001 44.100 -43.241 1.00 51.17 ? 344 HIS A ND1 1 +ATOM 2538 C CD2 . HIS A 1 326 ? 47.068 46.009 -42.179 1.00 51.24 ? 344 HIS A CD2 1 +ATOM 2539 C CE1 . HIS A 1 326 ? 48.191 44.631 -43.466 1.00 52.70 ? 344 HIS A CE1 1 +ATOM 2540 N NE2 . HIS A 1 326 ? 48.257 45.788 -42.832 1.00 53.65 ? 344 HIS A NE2 1 +ATOM 2541 N N . MET A 1 327 ? 43.355 42.750 -39.321 1.00 42.33 ? 345 MET A N 1 +ATOM 2542 C CA . MET A 1 327 ? 42.070 42.224 -38.881 1.00 39.12 ? 345 MET A CA 1 +ATOM 2543 C C . MET A 1 327 ? 42.037 42.039 -37.364 1.00 39.74 ? 345 MET A C 1 +ATOM 2544 O O . MET A 1 327 ? 41.975 40.910 -36.874 1.00 38.32 ? 345 MET A O 1 +ATOM 2545 C CB . MET A 1 327 ? 41.797 40.893 -39.594 1.00 38.51 ? 345 MET A CB 1 +ATOM 2546 C CG . MET A 1 327 ? 41.679 41.023 -41.093 1.00 31.29 ? 345 MET A CG 1 +ATOM 2547 S SD . MET A 1 327 ? 41.723 39.470 -41.958 1.00 38.03 ? 345 MET A SD 1 +ATOM 2548 C CE . MET A 1 327 ? 40.090 38.796 -41.562 1.00 34.79 ? 345 MET A CE 1 +ATOM 2549 N N . PRO A 1 328 ? 42.058 43.151 -36.598 1.00 39.81 ? 346 PRO A N 1 +ATOM 2550 C CA . PRO A 1 328 ? 42.035 43.076 -35.133 1.00 39.09 ? 346 PRO A CA 1 +ATOM 2551 C C . PRO A 1 328 ? 40.843 42.364 -34.511 1.00 38.89 ? 346 PRO A C 1 +ATOM 2552 O O . PRO A 1 328 ? 40.987 41.703 -33.474 1.00 37.60 ? 346 PRO A O 1 +ATOM 2553 C CB . PRO A 1 328 ? 42.108 44.543 -34.708 1.00 39.52 ? 346 PRO A CB 1 +ATOM 2554 C CG . PRO A 1 328 ? 41.419 45.253 -35.845 1.00 40.33 ? 346 PRO A CG 1 +ATOM 2555 C CD . PRO A 1 328 ? 42.009 44.560 -37.038 1.00 40.96 ? 346 PRO A CD 1 +ATOM 2556 N N . TYR A 1 329 ? 39.668 42.508 -35.123 1.00 36.27 ? 347 TYR A N 1 +ATOM 2557 C CA . TYR A 1 329 ? 38.474 41.869 -34.586 1.00 32.97 ? 347 TYR A CA 1 +ATOM 2558 C C . TYR A 1 329 ? 38.563 40.355 -34.712 1.00 32.09 ? 347 TYR A C 1 +ATOM 2559 O O . TYR A 1 329 ? 38.250 39.656 -33.763 1.00 30.47 ? 347 TYR A O 1 +ATOM 2560 C CB . TYR A 1 329 ? 37.200 42.357 -35.289 1.00 32.45 ? 347 TYR A CB 1 +ATOM 2561 C CG . TYR A 1 329 ? 35.932 41.892 -34.601 1.00 30.24 ? 347 TYR A CG 1 +ATOM 2562 C CD1 . TYR A 1 329 ? 35.450 42.548 -33.457 1.00 28.63 ? 347 TYR A CD1 1 +ATOM 2563 C CD2 . TYR A 1 329 ? 35.258 40.742 -35.037 1.00 30.33 ? 347 TYR A CD2 1 +ATOM 2564 C CE1 . TYR A 1 329 ? 34.325 42.063 -32.757 1.00 28.93 ? 347 TYR A CE1 1 +ATOM 2565 C CE2 . TYR A 1 329 ? 34.136 40.245 -34.345 1.00 27.97 ? 347 TYR A CE2 1 +ATOM 2566 C CZ . TYR A 1 329 ? 33.679 40.909 -33.209 1.00 29.90 ? 347 TYR A CZ 1 +ATOM 2567 O OH . TYR A 1 329 ? 32.590 40.406 -32.527 1.00 30.90 ? 347 TYR A OH 1 +ATOM 2568 N N . THR A 1 330 ? 38.976 39.861 -35.880 1.00 31.48 ? 348 THR A N 1 +ATOM 2569 C CA . THR A 1 330 ? 39.095 38.426 -36.115 1.00 33.07 ? 348 THR A CA 1 +ATOM 2570 C C . THR A 1 330 ? 40.158 37.843 -35.189 1.00 34.77 ? 348 THR A C 1 +ATOM 2571 O O . THR A 1 330 ? 39.991 36.745 -34.660 1.00 34.17 ? 348 THR A O 1 +ATOM 2572 C CB . THR A 1 330 ? 39.460 38.116 -37.597 1.00 33.23 ? 348 THR A CB 1 +ATOM 2573 O OG1 . THR A 1 330 ? 38.377 38.521 -38.444 1.00 35.30 ? 348 THR A OG1 1 +ATOM 2574 C CG2 . THR A 1 330 ? 39.689 36.625 -37.812 1.00 33.61 ? 348 THR A CG2 1 +ATOM 2575 N N . ASP A 1 331 ? 41.237 38.593 -34.985 1.00 33.16 ? 349 ASP A N 1 +ATOM 2576 C CA . ASP A 1 331 ? 42.321 38.159 -34.125 1.00 32.16 ? 349 ASP A CA 1 +ATOM 2577 C C . ASP A 1 331 ? 41.769 38.028 -32.713 1.00 31.94 ? 349 ASP A C 1 +ATOM 2578 O O . ASP A 1 331 ? 42.049 37.055 -32.018 1.00 29.35 ? 349 ASP A O 1 +ATOM 2579 C CB . ASP A 1 331 ? 43.463 39.178 -34.166 1.00 35.48 ? 349 ASP A CB 1 +ATOM 2580 C CG . ASP A 1 331 ? 44.779 38.599 -33.693 1.00 37.42 ? 349 ASP A CG 1 +ATOM 2581 O OD1 . ASP A 1 331 ? 44.928 37.361 -33.702 1.00 37.00 ? 349 ASP A OD1 1 +ATOM 2582 O OD2 . ASP A 1 331 ? 45.679 39.384 -33.333 1.00 43.20 ? 349 ASP A OD2 1 +ATOM 2583 N N . ALA A 1 332 ? 40.970 39.015 -32.310 1.00 29.94 ? 350 ALA A N 1 +ATOM 2584 C CA . ALA A 1 332 ? 40.341 39.024 -31.002 1.00 29.84 ? 350 ALA A CA 1 +ATOM 2585 C C . ALA A 1 332 ? 39.400 37.820 -30.853 1.00 29.97 ? 350 ALA A C 1 +ATOM 2586 O O . ALA A 1 332 ? 39.335 37.212 -29.791 1.00 28.93 ? 350 ALA A O 1 +ATOM 2587 C CB . ALA A 1 332 ? 39.573 40.307 -30.811 1.00 26.64 ? 350 ALA A CB 1 +ATOM 2588 N N . VAL A 1 333 ? 38.686 37.495 -31.928 1.00 28.63 ? 351 VAL A N 1 +ATOM 2589 C CA . VAL A 1 333 ? 37.754 36.373 -31.962 1.00 29.56 ? 351 VAL A CA 1 +ATOM 2590 C C . VAL A 1 333 ? 38.494 35.045 -31.805 1.00 29.58 ? 351 VAL A C 1 +ATOM 2591 O O . VAL A 1 333 ? 38.075 34.198 -31.013 1.00 29.44 ? 351 VAL A O 1 +ATOM 2592 C CB . VAL A 1 333 ? 36.919 36.403 -33.289 1.00 30.28 ? 351 VAL A CB 1 +ATOM 2593 C CG1 . VAL A 1 333 ? 36.257 35.056 -33.583 1.00 26.76 ? 351 VAL A CG1 1 +ATOM 2594 C CG2 . VAL A 1 333 ? 35.855 37.469 -33.160 1.00 30.00 ? 351 VAL A CG2 1 +ATOM 2595 N N . VAL A 1 334 ? 39.584 34.872 -32.549 1.00 29.74 ? 352 VAL A N 1 +ATOM 2596 C CA . VAL A 1 334 ? 40.377 33.654 -32.468 1.00 31.78 ? 352 VAL A CA 1 +ATOM 2597 C C . VAL A 1 334 ? 40.952 33.511 -31.048 1.00 32.72 ? 352 VAL A C 1 +ATOM 2598 O O . VAL A 1 334 ? 40.927 32.418 -30.480 1.00 32.20 ? 352 VAL A O 1 +ATOM 2599 C CB . VAL A 1 334 ? 41.512 33.639 -33.545 1.00 31.83 ? 352 VAL A CB 1 +ATOM 2600 C CG1 . VAL A 1 334 ? 42.330 32.356 -33.452 1.00 29.04 ? 352 VAL A CG1 1 +ATOM 2601 C CG2 . VAL A 1 334 ? 40.898 33.710 -34.936 1.00 31.52 ? 352 VAL A CG2 1 +ATOM 2602 N N . HIS A 1 335 ? 41.433 34.614 -30.468 1.00 31.26 ? 353 HIS A N 1 +ATOM 2603 C CA . HIS A 1 335 ? 41.972 34.582 -29.111 1.00 31.18 ? 353 HIS A CA 1 +ATOM 2604 C C . HIS A 1 335 ? 40.884 34.222 -28.103 1.00 31.86 ? 353 HIS A C 1 +ATOM 2605 O O . HIS A 1 335 ? 41.121 33.446 -27.170 1.00 29.41 ? 353 HIS A O 1 +ATOM 2606 C CB . HIS A 1 335 ? 42.591 35.928 -28.706 1.00 30.44 ? 353 HIS A CB 1 +ATOM 2607 C CG . HIS A 1 335 ? 44.007 36.107 -29.160 1.00 32.43 ? 353 HIS A CG 1 +ATOM 2608 N ND1 . HIS A 1 335 ? 44.347 36.325 -30.478 1.00 33.94 ? 353 HIS A ND1 1 +ATOM 2609 C CD2 . HIS A 1 335 ? 45.174 36.055 -28.475 1.00 32.13 ? 353 HIS A CD2 1 +ATOM 2610 C CE1 . HIS A 1 335 ? 45.664 36.392 -30.587 1.00 33.23 ? 353 HIS A CE1 1 +ATOM 2611 N NE2 . HIS A 1 335 ? 46.188 36.232 -29.386 1.00 33.29 ? 353 HIS A NE2 1 +ATOM 2612 N N . GLU A 1 336 ? 39.696 34.793 -28.296 1.00 29.49 ? 354 GLU A N 1 +ATOM 2613 C CA . GLU A 1 336 ? 38.577 34.537 -27.407 1.00 29.33 ? 354 GLU A CA 1 +ATOM 2614 C C . GLU A 1 336 ? 38.074 33.102 -27.543 1.00 27.59 ? 354 GLU A C 1 +ATOM 2615 O O . GLU A 1 336 ? 37.564 32.541 -26.585 1.00 26.39 ? 354 GLU A O 1 +ATOM 2616 C CB . GLU A 1 336 ? 37.441 35.534 -27.667 1.00 29.74 ? 354 GLU A CB 1 +ATOM 2617 C CG . GLU A 1 336 ? 36.245 35.413 -26.704 1.00 29.47 ? 354 GLU A CG 1 +ATOM 2618 C CD . GLU A 1 336 ? 36.577 35.707 -25.246 1.00 30.93 ? 354 GLU A CD 1 +ATOM 2619 O OE1 . GLU A 1 336 ? 37.764 35.911 -24.902 1.00 33.82 ? 354 GLU A OE1 1 +ATOM 2620 O OE2 . GLU A 1 336 ? 35.636 35.733 -24.426 1.00 29.86 ? 354 GLU A OE2 1 +ATOM 2621 N N . ILE A 1 337 ? 38.219 32.515 -28.729 1.00 27.55 ? 355 ILE A N 1 +ATOM 2622 C CA . ILE A 1 337 ? 37.798 31.142 -28.935 1.00 27.12 ? 355 ILE A CA 1 +ATOM 2623 C C . ILE A 1 337 ? 38.723 30.241 -28.105 1.00 30.53 ? 355 ILE A C 1 +ATOM 2624 O O . ILE A 1 337 ? 38.248 29.316 -27.451 1.00 29.66 ? 355 ILE A O 1 +ATOM 2625 C CB . ILE A 1 337 ? 37.841 30.749 -30.432 1.00 25.13 ? 355 ILE A CB 1 +ATOM 2626 C CG1 . ILE A 1 337 ? 36.684 31.441 -31.175 1.00 25.41 ? 355 ILE A CG1 1 +ATOM 2627 C CG2 . ILE A 1 337 ? 37.757 29.230 -30.594 1.00 25.04 ? 355 ILE A CG2 1 +ATOM 2628 C CD1 . ILE A 1 337 ? 36.684 31.253 -32.680 1.00 19.80 ? 355 ILE A CD1 1 +ATOM 2629 N N . GLN A 1 338 ? 40.025 30.530 -28.107 1.00 28.71 ? 356 GLN A N 1 +ATOM 2630 C CA . GLN A 1 338 ? 40.975 29.735 -27.331 1.00 28.10 ? 356 GLN A CA 1 +ATOM 2631 C C . GLN A 1 338 ? 40.851 29.939 -25.823 1.00 27.96 ? 356 GLN A C 1 +ATOM 2632 O O . GLN A 1 338 ? 40.980 28.978 -25.051 1.00 25.86 ? 356 GLN A O 1 +ATOM 2633 C CB . GLN A 1 338 ? 42.408 30.025 -27.778 1.00 25.88 ? 356 GLN A CB 1 +ATOM 2634 C CG . GLN A 1 338 ? 42.713 29.477 -29.151 1.00 24.62 ? 356 GLN A CG 1 +ATOM 2635 C CD . GLN A 1 338 ? 44.197 29.359 -29.394 1.00 29.99 ? 356 GLN A CD 1 +ATOM 2636 O OE1 . GLN A 1 338 ? 44.843 30.301 -29.871 1.00 27.48 ? 356 GLN A OE1 1 +ATOM 2637 N NE2 . GLN A 1 338 ? 44.759 28.200 -29.052 1.00 25.35 ? 356 GLN A NE2 1 +ATOM 2638 N N . ARG A 1 339 ? 40.600 31.178 -25.403 1.00 24.88 ? 357 ARG A N 1 +ATOM 2639 C CA . ARG A 1 339 ? 40.453 31.481 -23.986 1.00 27.54 ? 357 ARG A CA 1 +ATOM 2640 C C . ARG A 1 339 ? 39.182 30.822 -23.420 1.00 29.07 ? 357 ARG A C 1 +ATOM 2641 O O . ARG A 1 339 ? 39.218 30.201 -22.358 1.00 28.97 ? 357 ARG A O 1 +ATOM 2642 C CB . ARG A 1 339 ? 40.387 32.997 -23.754 1.00 26.56 ? 357 ARG A CB 1 +ATOM 2643 C CG . ARG A 1 339 ? 40.450 33.391 -22.272 1.00 28.47 ? 357 ARG A CG 1 +ATOM 2644 C CD . ARG A 1 339 ? 39.813 34.754 -22.010 1.00 28.49 ? 357 ARG A CD 1 +ATOM 2645 N NE . ARG A 1 339 ? 38.388 34.750 -22.327 1.00 28.95 ? 357 ARG A NE 1 +ATOM 2646 C CZ . ARG A 1 339 ? 37.426 34.359 -21.498 1.00 30.98 ? 357 ARG A CZ 1 +ATOM 2647 N NH1 . ARG A 1 339 ? 37.719 33.941 -20.267 1.00 29.90 ? 357 ARG A NH1 1 +ATOM 2648 N NH2 . ARG A 1 339 ? 36.165 34.349 -21.917 1.00 29.49 ? 357 ARG A NH2 1 +ATOM 2649 N N . TYR A 1 340 ? 38.070 30.958 -24.140 1.00 27.95 ? 358 TYR A N 1 +ATOM 2650 C CA . TYR A 1 340 ? 36.796 30.390 -23.723 1.00 27.42 ? 358 TYR A CA 1 +ATOM 2651 C C . TYR A 1 340 ? 36.772 28.863 -23.795 1.00 29.19 ? 358 TYR A C 1 +ATOM 2652 O O . TYR A 1 340 ? 36.325 28.207 -22.858 1.00 29.24 ? 358 TYR A O 1 +ATOM 2653 C CB . TYR A 1 340 ? 35.660 30.934 -24.594 1.00 27.16 ? 358 TYR A CB 1 +ATOM 2654 C CG . TYR A 1 340 ? 34.286 30.409 -24.210 1.00 28.04 ? 358 TYR A CG 1 +ATOM 2655 C CD1 . TYR A 1 340 ? 33.474 31.111 -23.300 1.00 27.79 ? 358 TYR A CD1 1 +ATOM 2656 C CD2 . TYR A 1 340 ? 33.805 29.191 -24.737 1.00 24.95 ? 358 TYR A CD2 1 +ATOM 2657 C CE1 . TYR A 1 340 ? 32.202 30.611 -22.921 1.00 29.21 ? 358 TYR A CE1 1 +ATOM 2658 C CE2 . TYR A 1 340 ? 32.543 28.681 -24.367 1.00 26.45 ? 358 TYR A CE2 1 +ATOM 2659 C CZ . TYR A 1 340 ? 31.751 29.399 -23.461 1.00 29.39 ? 358 TYR A CZ 1 +ATOM 2660 O OH . TYR A 1 340 ? 30.516 28.914 -23.105 1.00 33.53 ? 358 TYR A OH 1 +ATOM 2661 N N . SER A 1 341 ? 37.232 28.314 -24.919 1.00 29.07 ? 359 SER A N 1 +ATOM 2662 C CA . SER A 1 341 ? 37.229 26.876 -25.137 1.00 29.40 ? 359 SER A CA 1 +ATOM 2663 C C . SER A 1 341 ? 38.082 26.122 -24.112 1.00 29.87 ? 359 SER A C 1 +ATOM 2664 O O . SER A 1 341 ? 37.789 24.974 -23.802 1.00 28.46 ? 359 SER A O 1 +ATOM 2665 C CB . SER A 1 341 ? 37.663 26.561 -26.565 1.00 27.98 ? 359 SER A CB 1 +ATOM 2666 O OG . SER A 1 341 ? 39.048 26.757 -26.745 1.00 34.99 ? 359 SER A OG 1 +ATOM 2667 N N . ASP A 1 342 ? 39.138 26.769 -23.617 1.00 29.69 ? 360 ASP A N 1 +ATOM 2668 C CA . ASP A 1 342 ? 39.989 26.230 -22.554 1.00 29.81 ? 360 ASP A CA 1 +ATOM 2669 C C . ASP A 1 342 ? 40.301 24.737 -22.737 1.00 30.84 ? 360 ASP A C 1 +ATOM 2670 O O . ASP A 1 342 ? 39.944 23.893 -21.902 1.00 30.70 ? 360 ASP A O 1 +ATOM 2671 C CB . ASP A 1 342 ? 39.245 26.520 -21.244 1.00 29.99 ? 360 ASP A CB 1 +ATOM 2672 C CG . ASP A 1 342 ? 40.024 26.166 -20.013 1.00 31.73 ? 360 ASP A CG 1 +ATOM 2673 O OD1 . ASP A 1 342 ? 41.276 26.218 -20.022 1.00 31.35 ? 360 ASP A OD1 1 +ATOM 2674 O OD2 . ASP A 1 342 ? 39.352 25.855 -19.007 1.00 34.53 ? 360 ASP A OD2 1 +ATOM 2675 N N . LEU A 1 343 ? 40.980 24.445 -23.846 1.00 28.71 ? 361 LEU A N 1 +ATOM 2676 C CA . LEU A 1 343 ? 41.336 23.101 -24.277 1.00 29.17 ? 361 LEU A CA 1 +ATOM 2677 C C . LEU A 1 343 ? 42.045 22.179 -23.276 1.00 29.36 ? 361 LEU A C 1 +ATOM 2678 O O . LEU A 1 343 ? 41.638 21.035 -23.102 1.00 27.02 ? 361 LEU A O 1 +ATOM 2679 C CB . LEU A 1 343 ? 42.169 23.199 -25.559 1.00 30.43 ? 361 LEU A CB 1 +ATOM 2680 C CG . LEU A 1 343 ? 42.554 21.901 -26.285 1.00 33.66 ? 361 LEU A CG 1 +ATOM 2681 C CD1 . LEU A 1 343 ? 41.318 21.258 -26.900 1.00 33.68 ? 361 LEU A CD1 1 +ATOM 2682 C CD2 . LEU A 1 343 ? 43.568 22.216 -27.378 1.00 34.78 ? 361 LEU A CD2 1 +ATOM 2683 N N . VAL A 1 344 ? 43.110 22.675 -22.653 1.00 28.89 ? 362 VAL A N 1 +ATOM 2684 C CA . VAL A 1 344 ? 43.897 21.916 -21.685 1.00 28.52 ? 362 VAL A CA 1 +ATOM 2685 C C . VAL A 1 344 ? 43.825 22.698 -20.361 1.00 28.13 ? 362 VAL A C 1 +ATOM 2686 O O . VAL A 1 344 ? 44.758 23.417 -20.003 1.00 26.22 ? 362 VAL A O 1 +ATOM 2687 C CB . VAL A 1 344 ? 45.379 21.806 -22.164 1.00 30.92 ? 362 VAL A CB 1 +ATOM 2688 C CG1 . VAL A 1 344 ? 46.089 20.665 -21.453 1.00 30.51 ? 362 VAL A CG1 1 +ATOM 2689 C CG2 . VAL A 1 344 ? 45.434 21.591 -23.675 1.00 31.00 ? 362 VAL A CG2 1 +ATOM 2690 N N . PRO A 1 345 ? 42.719 22.547 -19.600 1.00 30.46 ? 363 PRO A N 1 +ATOM 2691 C CA . PRO A 1 345 ? 42.535 23.260 -18.328 1.00 28.37 ? 363 PRO A CA 1 +ATOM 2692 C C . PRO A 1 345 ? 43.599 23.022 -17.253 1.00 29.26 ? 363 PRO A C 1 +ATOM 2693 O O . PRO A 1 345 ? 43.938 23.942 -16.489 1.00 28.46 ? 363 PRO A O 1 +ATOM 2694 C CB . PRO A 1 345 ? 41.154 22.797 -17.860 1.00 31.46 ? 363 PRO A CB 1 +ATOM 2695 C CG . PRO A 1 345 ? 40.538 22.161 -19.048 1.00 33.37 ? 363 PRO A CG 1 +ATOM 2696 C CD . PRO A 1 345 ? 41.681 21.515 -19.742 1.00 30.09 ? 363 PRO A CD 1 +ATOM 2697 N N . THR A 1 346 ? 44.122 21.798 -17.193 1.00 25.11 ? 364 THR A N 1 +ATOM 2698 C CA . THR A 1 346 ? 45.139 21.445 -16.191 1.00 28.13 ? 364 THR A CA 1 +ATOM 2699 C C . THR A 1 346 ? 46.536 21.665 -16.750 1.00 29.87 ? 364 THR A C 1 +ATOM 2700 O O . THR A 1 346 ? 47.530 21.634 -16.011 1.00 33.46 ? 364 THR A O 1 +ATOM 2701 C CB . THR A 1 346 ? 45.054 19.937 -15.757 1.00 25.23 ? 364 THR A CB 1 +ATOM 2702 O OG1 . THR A 1 346 ? 45.481 19.101 -16.835 1.00 28.90 ? 364 THR A OG1 1 +ATOM 2703 C CG2 . THR A 1 346 ? 43.650 19.547 -15.399 1.00 23.23 ? 364 THR A CG2 1 +ATOM 2704 N N . GLY A 1 347 ? 46.603 21.901 -18.057 1.00 30.13 ? 365 GLY A N 1 +ATOM 2705 C CA . GLY A 1 347 ? 47.880 22.058 -18.717 1.00 29.40 ? 365 GLY A CA 1 +ATOM 2706 C C . GLY A 1 347 ? 48.435 20.646 -18.816 1.00 30.26 ? 365 GLY A C 1 +ATOM 2707 O O . GLY A 1 347 ? 47.764 19.697 -18.415 1.00 30.86 ? 365 GLY A O 1 +ATOM 2708 N N . VAL A 1 348 ? 49.632 20.492 -19.359 1.00 29.85 ? 366 VAL A N 1 +ATOM 2709 C CA . VAL A 1 348 ? 50.248 19.179 -19.455 1.00 31.12 ? 366 VAL A CA 1 +ATOM 2710 C C . VAL A 1 348 ? 51.181 19.125 -18.248 1.00 31.92 ? 366 VAL A C 1 +ATOM 2711 O O . VAL A 1 348 ? 51.894 20.094 -17.968 1.00 32.19 ? 366 VAL A O 1 +ATOM 2712 C CB . VAL A 1 348 ? 51.031 19.011 -20.787 1.00 30.81 ? 366 VAL A CB 1 +ATOM 2713 C CG1 . VAL A 1 348 ? 51.694 17.635 -20.856 1.00 28.56 ? 366 VAL A CG1 1 +ATOM 2714 C CG2 . VAL A 1 348 ? 50.069 19.158 -21.956 1.00 27.27 ? 366 VAL A CG2 1 +ATOM 2715 N N . PRO A 1 349 ? 51.167 18.006 -17.500 1.00 32.96 ? 367 PRO A N 1 +ATOM 2716 C CA . PRO A 1 349 ? 52.031 17.888 -16.320 1.00 30.75 ? 367 PRO A CA 1 +ATOM 2717 C C . PRO A 1 349 ? 53.517 18.130 -16.507 1.00 29.47 ? 367 PRO A C 1 +ATOM 2718 O O . PRO A 1 349 ? 54.135 17.671 -17.464 1.00 30.32 ? 367 PRO A O 1 +ATOM 2719 C CB . PRO A 1 349 ? 51.723 16.476 -15.795 1.00 31.14 ? 367 PRO A CB 1 +ATOM 2720 C CG . PRO A 1 349 ? 51.176 15.757 -17.000 1.00 33.02 ? 367 PRO A CG 1 +ATOM 2721 C CD . PRO A 1 349 ? 50.328 16.801 -17.646 1.00 32.07 ? 367 PRO A CD 1 +ATOM 2722 N N . HIS A 1 350 ? 54.072 18.879 -15.566 1.00 29.68 ? 368 HIS A N 1 +ATOM 2723 C CA . HIS A 1 350 ? 55.484 19.191 -15.544 1.00 33.08 ? 368 HIS A CA 1 +ATOM 2724 C C . HIS A 1 350 ? 56.083 18.418 -14.374 1.00 34.52 ? 368 HIS A C 1 +ATOM 2725 O O . HIS A 1 350 ? 55.381 17.661 -13.702 1.00 34.80 ? 368 HIS A O 1 +ATOM 2726 C CB . HIS A 1 350 ? 55.705 20.695 -15.332 1.00 34.51 ? 368 HIS A CB 1 +ATOM 2727 C CG . HIS A 1 350 ? 55.522 21.524 -16.567 1.00 37.77 ? 368 HIS A CG 1 +ATOM 2728 N ND1 . HIS A 1 350 ? 56.418 22.502 -16.940 1.00 39.72 ? 368 HIS A ND1 1 +ATOM 2729 C CD2 . HIS A 1 350 ? 54.543 21.539 -17.501 1.00 38.68 ? 368 HIS A CD2 1 +ATOM 2730 C CE1 . HIS A 1 350 ? 56.001 23.083 -18.049 1.00 37.80 ? 368 HIS A CE1 1 +ATOM 2731 N NE2 . HIS A 1 350 ? 54.864 22.518 -18.409 1.00 39.36 ? 368 HIS A NE2 1 +ATOM 2732 N N . ALA A 1 351 ? 57.379 18.606 -14.160 1.00 34.76 ? 369 ALA A N 1 +ATOM 2733 C CA . ALA A 1 351 ? 58.126 17.986 -13.072 1.00 38.04 ? 369 ALA A CA 1 +ATOM 2734 C C . ALA A 1 351 ? 59.359 18.862 -12.849 1.00 40.20 ? 369 ALA A C 1 +ATOM 2735 O O . ALA A 1 351 ? 60.031 19.228 -13.815 1.00 40.24 ? 369 ALA A O 1 +ATOM 2736 C CB . ALA A 1 351 ? 58.555 16.573 -13.452 1.00 35.89 ? 369 ALA A CB 1 +ATOM 2737 N N . VAL A 1 352 ? 59.652 19.219 -11.600 1.00 40.71 ? 370 VAL A N 1 +ATOM 2738 C CA . VAL A 1 352 ? 60.831 20.040 -11.344 1.00 41.56 ? 370 VAL A CA 1 +ATOM 2739 C C . VAL A 1 352 ? 62.085 19.210 -11.617 1.00 42.21 ? 370 VAL A C 1 +ATOM 2740 O O . VAL A 1 352 ? 62.146 18.026 -11.276 1.00 42.17 ? 370 VAL A O 1 +ATOM 2741 C CB . VAL A 1 352 ? 60.855 20.617 -9.899 1.00 42.89 ? 370 VAL A CB 1 +ATOM 2742 C CG1 . VAL A 1 352 ? 59.780 21.686 -9.758 1.00 42.98 ? 370 VAL A CG1 1 +ATOM 2743 C CG2 . VAL A 1 352 ? 60.656 19.513 -8.871 1.00 42.80 ? 370 VAL A CG2 1 +ATOM 2744 N N . THR A 1 353 ? 63.067 19.845 -12.251 1.00 42.60 ? 371 THR A N 1 +ATOM 2745 C CA . THR A 1 353 ? 64.322 19.207 -12.643 1.00 44.88 ? 371 THR A CA 1 +ATOM 2746 C C . THR A 1 353 ? 65.319 18.948 -11.515 1.00 46.21 ? 371 THR A C 1 +ATOM 2747 O O . THR A 1 353 ? 66.229 18.128 -11.658 1.00 45.57 ? 371 THR A O 1 +ATOM 2748 C CB . THR A 1 353 ? 65.033 20.048 -13.725 1.00 45.34 ? 371 THR A CB 1 +ATOM 2749 O OG1 . THR A 1 353 ? 65.155 21.402 -13.270 1.00 42.48 ? 371 THR A OG1 1 +ATOM 2750 C CG2 . THR A 1 353 ? 64.246 20.020 -15.033 1.00 46.48 ? 371 THR A CG2 1 +ATOM 2751 N N . THR A 1 354 ? 65.140 19.649 -10.400 1.00 48.31 ? 372 THR A N 1 +ATOM 2752 C CA . THR A 1 354 ? 66.019 19.522 -9.243 1.00 50.41 ? 372 THR A CA 1 +ATOM 2753 C C . THR A 1 354 ? 65.245 20.017 -8.022 1.00 51.28 ? 372 THR A C 1 +ATOM 2754 O O . THR A 1 354 ? 64.089 20.425 -8.159 1.00 52.64 ? 372 THR A O 1 +ATOM 2755 C CB . THR A 1 354 ? 67.310 20.374 -9.455 1.00 51.12 ? 372 THR A CB 1 +ATOM 2756 O OG1 . THR A 1 354 ? 68.185 20.221 -8.331 1.00 52.36 ? 372 THR A OG1 1 +ATOM 2757 C CG2 . THR A 1 354 ? 66.962 21.850 -9.636 1.00 50.71 ? 372 THR A CG2 1 +ATOM 2758 N N . ASP A 1 355 ? 65.857 19.957 -6.838 1.00 50.93 ? 373 ASP A N 1 +ATOM 2759 C CA . ASP A 1 355 ? 65.212 20.451 -5.624 1.00 51.15 ? 373 ASP A CA 1 +ATOM 2760 C C . ASP A 1 355 ? 64.995 21.937 -5.868 1.00 49.99 ? 373 ASP A C 1 +ATOM 2761 O O . ASP A 1 355 ? 65.950 22.689 -6.063 1.00 50.19 ? 373 ASP A O 1 +ATOM 2762 C CB . ASP A 1 355 ? 66.113 20.234 -4.402 1.00 54.81 ? 373 ASP A CB 1 +ATOM 2763 C CG . ASP A 1 355 ? 65.888 18.882 -3.738 1.00 57.53 ? 373 ASP A CG 1 +ATOM 2764 O OD1 . ASP A 1 355 ? 65.910 17.850 -4.439 1.00 60.06 ? 373 ASP A OD1 1 +ATOM 2765 O OD2 . ASP A 1 355 ? 65.690 18.853 -2.504 1.00 61.84 ? 373 ASP A OD2 1 +ATOM 2766 N N . THR A 1 356 ? 63.733 22.346 -5.874 1.00 49.22 ? 374 THR A N 1 +ATOM 2767 C CA . THR A 1 356 ? 63.372 23.727 -6.154 1.00 48.76 ? 374 THR A CA 1 +ATOM 2768 C C . THR A 1 356 ? 62.712 24.448 -4.986 1.00 48.85 ? 374 THR A C 1 +ATOM 2769 O O . THR A 1 356 ? 61.819 23.916 -4.333 1.00 47.91 ? 374 THR A O 1 +ATOM 2770 C CB . THR A 1 356 ? 62.431 23.776 -7.388 1.00 49.28 ? 374 THR A CB 1 +ATOM 2771 O OG1 . THR A 1 356 ? 63.063 23.106 -8.487 1.00 50.17 ? 374 THR A OG1 1 +ATOM 2772 C CG2 . THR A 1 356 ? 62.121 25.211 -7.796 1.00 49.55 ? 374 THR A CG2 1 +ATOM 2773 N N . LYS A 1 357 ? 63.168 25.671 -4.743 1.00 49.26 ? 375 LYS A N 1 +ATOM 2774 C CA . LYS A 1 357 ? 62.638 26.524 -3.686 1.00 50.66 ? 375 LYS A CA 1 +ATOM 2775 C C . LYS A 1 357 ? 61.581 27.425 -4.337 1.00 49.90 ? 375 LYS A C 1 +ATOM 2776 O O . LYS A 1 357 ? 61.873 28.137 -5.301 1.00 50.10 ? 375 LYS A O 1 +ATOM 2777 C CB . LYS A 1 357 ? 63.775 27.374 -3.096 1.00 53.39 ? 375 LYS A CB 1 +ATOM 2778 C CG . LYS A 1 357 ? 63.379 28.368 -1.999 1.00 59.31 ? 375 LYS A CG 1 +ATOM 2779 C CD . LYS A 1 357 ? 63.380 27.739 -0.602 1.00 62.23 ? 375 LYS A CD 1 +ATOM 2780 C CE . LYS A 1 357 ? 63.188 28.806 0.477 1.00 64.52 ? 375 LYS A CE 1 +ATOM 2781 N NZ . LYS A 1 357 ? 63.280 28.267 1.869 1.00 65.68 ? 375 LYS A NZ 1 +ATOM 2782 N N . PHE A 1 358 ? 60.354 27.366 -3.831 1.00 48.30 ? 376 PHE A N 1 +ATOM 2783 C CA . PHE A 1 358 ? 59.272 28.191 -4.346 1.00 47.72 ? 376 PHE A CA 1 +ATOM 2784 C C . PHE A 1 358 ? 58.676 28.892 -3.139 1.00 48.85 ? 376 PHE A C 1 +ATOM 2785 O O . PHE A 1 358 ? 58.030 28.252 -2.308 1.00 49.61 ? 376 PHE A O 1 +ATOM 2786 C CB . PHE A 1 358 ? 58.196 27.337 -5.032 1.00 47.13 ? 376 PHE A CB 1 +ATOM 2787 C CG . PHE A 1 358 ? 57.140 28.149 -5.730 1.00 43.75 ? 376 PHE A CG 1 +ATOM 2788 C CD1 . PHE A 1 358 ? 57.357 28.629 -7.029 1.00 44.07 ? 376 PHE A CD1 1 +ATOM 2789 C CD2 . PHE A 1 358 ? 55.955 28.496 -5.067 1.00 42.85 ? 376 PHE A CD2 1 +ATOM 2790 C CE1 . PHE A 1 358 ? 56.408 29.455 -7.665 1.00 43.86 ? 376 PHE A CE1 1 +ATOM 2791 C CE2 . PHE A 1 358 ? 54.993 29.322 -5.683 1.00 44.68 ? 376 PHE A CE2 1 +ATOM 2792 C CZ . PHE A 1 358 ? 55.220 29.807 -6.989 1.00 44.82 ? 376 PHE A CZ 1 +ATOM 2793 N N . ARG A 1 359 ? 58.881 30.205 -3.062 1.00 49.27 ? 377 ARG A N 1 +ATOM 2794 C CA . ARG A 1 359 ? 58.416 31.012 -1.941 1.00 50.26 ? 377 ARG A CA 1 +ATOM 2795 C C . ARG A 1 359 ? 58.999 30.395 -0.661 1.00 51.27 ? 377 ARG A C 1 +ATOM 2796 O O . ARG A 1 359 ? 60.216 30.241 -0.560 1.00 50.77 ? 377 ARG A O 1 +ATOM 2797 C CB . ARG A 1 359 ? 56.877 31.081 -1.925 1.00 50.58 ? 377 ARG A CB 1 +ATOM 2798 C CG . ARG A 1 359 ? 56.325 31.898 -3.086 1.00 50.21 ? 377 ARG A CG 1 +ATOM 2799 C CD . ARG A 1 359 ? 54.810 31.865 -3.210 1.00 50.04 ? 377 ARG A CD 1 +ATOM 2800 N NE . ARG A 1 359 ? 54.412 32.492 -4.471 1.00 48.74 ? 377 ARG A NE 1 +ATOM 2801 C CZ . ARG A 1 359 ? 53.173 32.550 -4.952 1.00 47.56 ? 377 ARG A CZ 1 +ATOM 2802 N NH1 . ARG A 1 359 ? 52.956 33.151 -6.113 1.00 46.21 ? 377 ARG A NH1 1 +ATOM 2803 N NH2 . ARG A 1 359 ? 52.155 32.018 -4.288 1.00 45.54 ? 377 ARG A NH2 1 +ATOM 2804 N N . ASN A 1 360 ? 58.157 30.024 0.295 1.00 52.98 ? 378 ASN A N 1 +ATOM 2805 C CA . ASN A 1 360 ? 58.642 29.427 1.536 1.00 54.56 ? 378 ASN A CA 1 +ATOM 2806 C C . ASN A 1 360 ? 58.549 27.902 1.534 1.00 53.56 ? 378 ASN A C 1 +ATOM 2807 O O . ASN A 1 360 ? 58.548 27.270 2.595 1.00 54.47 ? 378 ASN A O 1 +ATOM 2808 C CB . ASN A 1 360 ? 57.872 29.997 2.740 1.00 58.38 ? 378 ASN A CB 1 +ATOM 2809 C CG . ASN A 1 360 ? 56.481 30.500 2.374 1.00 62.21 ? 378 ASN A CG 1 +ATOM 2810 O OD1 . ASN A 1 360 ? 55.698 29.800 1.727 1.00 62.98 ? 378 ASN A OD1 1 +ATOM 2811 N ND2 . ASN A 1 360 ? 56.166 31.724 2.798 1.00 64.12 ? 378 ASN A ND2 1 +ATOM 2812 N N . TYR A 1 361 ? 58.491 27.313 0.341 1.00 50.95 ? 379 TYR A N 1 +ATOM 2813 C CA . TYR A 1 361 ? 58.376 25.865 0.204 1.00 48.43 ? 379 TYR A CA 1 +ATOM 2814 C C . TYR A 1 361 ? 59.549 25.253 -0.543 1.00 47.46 ? 379 TYR A C 1 +ATOM 2815 O O . TYR A 1 361 ? 60.290 25.945 -1.242 1.00 47.38 ? 379 TYR A O 1 +ATOM 2816 C CB . TYR A 1 361 ? 57.081 25.492 -0.538 1.00 47.82 ? 379 TYR A CB 1 +ATOM 2817 C CG . TYR A 1 361 ? 55.825 26.152 -0.011 1.00 46.14 ? 379 TYR A CG 1 +ATOM 2818 C CD1 . TYR A 1 361 ? 55.188 27.173 -0.738 1.00 45.21 ? 379 TYR A CD1 1 +ATOM 2819 C CD2 . TYR A 1 361 ? 55.268 25.765 1.219 1.00 45.25 ? 379 TYR A CD2 1 +ATOM 2820 C CE1 . TYR A 1 361 ? 54.016 27.799 -0.251 1.00 43.83 ? 379 TYR A CE1 1 +ATOM 2821 C CE2 . TYR A 1 361 ? 54.101 26.383 1.719 1.00 45.17 ? 379 TYR A CE2 1 +ATOM 2822 C CZ . TYR A 1 361 ? 53.481 27.399 0.977 1.00 46.22 ? 379 TYR A CZ 1 +ATOM 2823 O OH . TYR A 1 361 ? 52.341 28.004 1.465 1.00 46.86 ? 379 TYR A OH 1 +ATOM 2824 N N . LEU A 1 362 ? 59.706 23.943 -0.387 1.00 46.36 ? 380 LEU A N 1 +ATOM 2825 C CA . LEU A 1 362 ? 60.759 23.203 -1.059 1.00 46.39 ? 380 LEU A CA 1 +ATOM 2826 C C . LEU A 1 362 ? 60.102 22.038 -1.788 1.00 45.04 ? 380 LEU A C 1 +ATOM 2827 O O . LEU A 1 362 ? 59.371 21.249 -1.192 1.00 44.82 ? 380 LEU A O 1 +ATOM 2828 C CB . LEU A 1 362 ? 61.793 22.680 -0.052 1.00 47.84 ? 380 LEU A CB 1 +ATOM 2829 C CG . LEU A 1 362 ? 62.976 21.920 -0.675 1.00 50.54 ? 380 LEU A CG 1 +ATOM 2830 C CD1 . LEU A 1 362 ? 63.832 22.876 -1.509 1.00 49.56 ? 380 LEU A CD1 1 +ATOM 2831 C CD2 . LEU A 1 362 ? 63.810 21.273 0.427 1.00 52.29 ? 380 LEU A CD2 1 +ATOM 2832 N N . ILE A 1 363 ? 60.359 21.944 -3.085 1.00 45.06 ? 381 ILE A N 1 +ATOM 2833 C CA . ILE A 1 363 ? 59.781 20.892 -3.913 1.00 44.25 ? 381 ILE A CA 1 +ATOM 2834 C C . ILE A 1 363 ? 60.914 19.995 -4.380 1.00 44.30 ? 381 ILE A C 1 +ATOM 2835 O O . ILE A 1 363 ? 61.771 20.424 -5.149 1.00 44.99 ? 381 ILE A O 1 +ATOM 2836 C CB . ILE A 1 363 ? 59.039 21.494 -5.139 1.00 43.12 ? 381 ILE A CB 1 +ATOM 2837 C CG1 . ILE A 1 363 ? 57.981 22.501 -4.661 1.00 42.06 ? 381 ILE A CG1 1 +ATOM 2838 C CG2 . ILE A 1 363 ? 58.371 20.381 -5.952 1.00 42.03 ? 381 ILE A CG2 1 +ATOM 2839 C CD1 . ILE A 1 363 ? 57.385 23.372 -5.771 1.00 41.77 ? 381 ILE A CD1 1 +ATOM 2840 N N . PRO A 1 364 ? 60.942 18.737 -3.907 1.00 44.94 ? 382 PRO A N 1 +ATOM 2841 C CA . PRO A 1 364 ? 62.010 17.820 -4.316 1.00 45.16 ? 382 PRO A CA 1 +ATOM 2842 C C . PRO A 1 364 ? 62.036 17.478 -5.802 1.00 45.20 ? 382 PRO A C 1 +ATOM 2843 O O . PRO A 1 364 ? 61.012 17.523 -6.484 1.00 45.28 ? 382 PRO A O 1 +ATOM 2844 C CB . PRO A 1 364 ? 61.780 16.596 -3.424 1.00 45.78 ? 382 PRO A CB 1 +ATOM 2845 C CG . PRO A 1 364 ? 60.317 16.657 -3.118 1.00 47.26 ? 382 PRO A CG 1 +ATOM 2846 C CD . PRO A 1 364 ? 60.087 18.118 -2.878 1.00 45.11 ? 382 PRO A CD 1 +ATOM 2847 N N . LYS A 1 365 ? 63.231 17.154 -6.285 1.00 44.61 ? 383 LYS A N 1 +ATOM 2848 C CA . LYS A 1 365 ? 63.467 16.790 -7.675 1.00 44.87 ? 383 LYS A CA 1 +ATOM 2849 C C . LYS A 1 365 ? 62.518 15.689 -8.159 1.00 43.77 ? 383 LYS A C 1 +ATOM 2850 O O . LYS A 1 365 ? 62.292 14.698 -7.460 1.00 43.21 ? 383 LYS A O 1 +ATOM 2851 C CB . LYS A 1 365 ? 64.923 16.335 -7.832 1.00 45.98 ? 383 LYS A CB 1 +ATOM 2852 C CG . LYS A 1 365 ? 65.303 15.853 -9.223 1.00 50.24 ? 383 LYS A CG 1 +ATOM 2853 C CD . LYS A 1 365 ? 66.747 15.369 -9.271 1.00 51.54 ? 383 LYS A CD 1 +ATOM 2854 C CE . LYS A 1 365 ? 67.092 14.825 -10.645 1.00 53.14 ? 383 LYS A CE 1 +ATOM 2855 N NZ . LYS A 1 365 ? 68.497 14.344 -10.727 1.00 56.33 ? 383 LYS A NZ 1 +ATOM 2856 N N . GLY A 1 366 ? 61.953 15.885 -9.350 1.00 42.96 ? 384 GLY A N 1 +ATOM 2857 C CA . GLY A 1 366 ? 61.054 14.898 -9.927 1.00 41.29 ? 384 GLY A CA 1 +ATOM 2858 C C . GLY A 1 366 ? 59.591 14.964 -9.536 1.00 40.95 ? 384 GLY A C 1 +ATOM 2859 O O . GLY A 1 366 ? 58.781 14.201 -10.076 1.00 41.72 ? 384 GLY A O 1 +ATOM 2860 N N . THR A 1 367 ? 59.244 15.851 -8.603 1.00 39.94 ? 385 THR A N 1 +ATOM 2861 C CA . THR A 1 367 ? 57.856 16.008 -8.163 1.00 39.39 ? 385 THR A CA 1 +ATOM 2862 C C . THR A 1 367 ? 57.013 16.527 -9.335 1.00 38.72 ? 385 THR A C 1 +ATOM 2863 O O . THR A 1 367 ? 57.464 17.392 -10.085 1.00 37.29 ? 385 THR A O 1 +ATOM 2864 C CB . THR A 1 367 ? 57.754 17.020 -7.004 1.00 39.76 ? 385 THR A CB 1 +ATOM 2865 O OG1 . THR A 1 367 ? 58.612 16.606 -5.937 1.00 43.14 ? 385 THR A OG1 1 +ATOM 2866 C CG2 . THR A 1 367 ? 56.324 17.114 -6.482 1.00 38.70 ? 385 THR A CG2 1 +ATOM 2867 N N . THR A 1 368 ? 55.802 15.992 -9.486 1.00 36.52 ? 386 THR A N 1 +ATOM 2868 C CA . THR A 1 368 ? 54.905 16.402 -10.560 1.00 35.60 ? 386 THR A CA 1 +ATOM 2869 C C . THR A 1 368 ? 54.309 17.777 -10.267 1.00 34.42 ? 386 THR A C 1 +ATOM 2870 O O . THR A 1 368 ? 53.865 18.042 -9.148 1.00 34.49 ? 386 THR A O 1 +ATOM 2871 C CB . THR A 1 368 ? 53.765 15.378 -10.754 1.00 34.76 ? 386 THR A CB 1 +ATOM 2872 O OG1 . THR A 1 368 ? 54.327 14.092 -11.049 1.00 35.08 ? 386 THR A OG1 1 +ATOM 2873 C CG2 . THR A 1 368 ? 52.859 15.791 -11.909 1.00 33.95 ? 386 THR A CG2 1 +ATOM 2874 N N . ILE A 1 369 ? 54.319 18.631 -11.290 1.00 33.50 ? 387 ILE A N 1 +ATOM 2875 C CA . ILE A 1 369 ? 53.812 20.005 -11.241 1.00 33.76 ? 387 ILE A CA 1 +ATOM 2876 C C . ILE A 1 369 ? 52.572 20.128 -12.125 1.00 31.71 ? 387 ILE A C 1 +ATOM 2877 O O . ILE A 1 369 ? 52.525 19.574 -13.219 1.00 32.35 ? 387 ILE A O 1 +ATOM 2878 C CB . ILE A 1 369 ? 54.874 21.020 -11.801 1.00 36.89 ? 387 ILE A CB 1 +ATOM 2879 C CG1 . ILE A 1 369 ? 56.222 20.835 -11.092 1.00 38.45 ? 387 ILE A CG1 1 +ATOM 2880 C CG2 . ILE A 1 369 ? 54.364 22.459 -11.700 1.00 36.08 ? 387 ILE A CG2 1 +ATOM 2881 C CD1 . ILE A 1 369 ? 56.198 21.017 -9.591 1.00 37.29 ? 387 ILE A CD1 1 +ATOM 2882 N N . MET A 1 370 ? 51.578 20.865 -11.649 1.00 30.50 ? 388 MET A N 1 +ATOM 2883 C CA . MET A 1 370 ? 50.359 21.094 -12.407 1.00 31.14 ? 388 MET A CA 1 +ATOM 2884 C C . MET A 1 370 ? 50.067 22.595 -12.384 1.00 30.57 ? 388 MET A C 1 +ATOM 2885 O O . MET A 1 370 ? 49.674 23.135 -11.349 1.00 29.72 ? 388 MET A O 1 +ATOM 2886 C CB . MET A 1 370 ? 49.204 20.327 -11.770 1.00 34.76 ? 388 MET A CB 1 +ATOM 2887 C CG . MET A 1 370 ? 48.104 19.936 -12.723 1.00 44.22 ? 388 MET A CG 1 +ATOM 2888 S SD . MET A 1 370 ? 47.719 18.171 -12.536 1.00 52.78 ? 388 MET A SD 1 +ATOM 2889 C CE . MET A 1 370 ? 49.110 17.462 -13.415 1.00 48.36 ? 388 MET A CE 1 +ATOM 2890 N N . ALA A 1 371 ? 50.295 23.276 -13.504 1.00 29.00 ? 389 ALA A N 1 +ATOM 2891 C CA . ALA A 1 371 ? 50.009 24.714 -13.586 1.00 29.60 ? 389 ALA A CA 1 +ATOM 2892 C C . ALA A 1 371 ? 48.651 24.842 -14.245 1.00 29.36 ? 389 ALA A C 1 +ATOM 2893 O O . ALA A 1 371 ? 48.508 24.564 -15.436 1.00 32.93 ? 389 ALA A O 1 +ATOM 2894 C CB . ALA A 1 371 ? 51.063 25.426 -14.410 1.00 31.26 ? 389 ALA A CB 1 +ATOM 2895 N N . LEU A 1 372 ? 47.656 25.257 -13.466 1.00 28.20 ? 390 LEU A N 1 +ATOM 2896 C CA . LEU A 1 372 ? 46.288 25.374 -13.956 1.00 27.24 ? 390 LEU A CA 1 +ATOM 2897 C C . LEU A 1 372 ? 46.066 26.525 -14.940 1.00 27.91 ? 390 LEU A C 1 +ATOM 2898 O O . LEU A 1 372 ? 45.749 27.652 -14.556 1.00 26.37 ? 390 LEU A O 1 +ATOM 2899 C CB . LEU A 1 372 ? 45.320 25.474 -12.771 1.00 24.66 ? 390 LEU A CB 1 +ATOM 2900 C CG . LEU A 1 372 ? 45.413 24.342 -11.727 1.00 29.18 ? 390 LEU A CG 1 +ATOM 2901 C CD1 . LEU A 1 372 ? 44.363 24.558 -10.639 1.00 27.82 ? 390 LEU A CD1 1 +ATOM 2902 C CD2 . LEU A 1 372 ? 45.210 22.973 -12.389 1.00 27.26 ? 390 LEU A CD2 1 +ATOM 2903 N N . LEU A 1 373 ? 46.235 26.209 -16.221 1.00 27.74 ? 391 LEU A N 1 +ATOM 2904 C CA . LEU A 1 373 ? 46.069 27.175 -17.298 1.00 28.63 ? 391 LEU A CA 1 +ATOM 2905 C C . LEU A 1 373 ? 44.682 27.788 -17.272 1.00 28.02 ? 391 LEU A C 1 +ATOM 2906 O O . LEU A 1 373 ? 44.526 28.978 -17.513 1.00 29.82 ? 391 LEU A O 1 +ATOM 2907 C CB . LEU A 1 373 ? 46.328 26.504 -18.653 1.00 25.75 ? 391 LEU A CB 1 +ATOM 2908 C CG . LEU A 1 373 ? 47.716 25.884 -18.851 1.00 24.60 ? 391 LEU A CG 1 +ATOM 2909 C CD1 . LEU A 1 373 ? 47.841 25.354 -20.270 1.00 22.69 ? 391 LEU A CD1 1 +ATOM 2910 C CD2 . LEU A 1 373 ? 48.810 26.903 -18.564 1.00 24.48 ? 391 LEU A CD2 1 +ATOM 2911 N N . THR A 1 374 ? 43.684 26.976 -16.936 1.00 28.76 ? 392 THR A N 1 +ATOM 2912 C CA . THR A 1 374 ? 42.307 27.437 -16.868 1.00 28.68 ? 392 THR A CA 1 +ATOM 2913 C C . THR A 1 374 ? 42.074 28.553 -15.850 1.00 29.75 ? 392 THR A C 1 +ATOM 2914 O O . THR A 1 374 ? 41.207 29.406 -16.055 1.00 29.26 ? 392 THR A O 1 +ATOM 2915 C CB . THR A 1 374 ? 41.335 26.266 -16.581 1.00 27.78 ? 392 THR A CB 1 +ATOM 2916 O OG1 . THR A 1 374 ? 39.989 26.738 -16.678 1.00 26.72 ? 392 THR A OG1 1 +ATOM 2917 C CG2 . THR A 1 374 ? 41.570 25.664 -15.184 1.00 27.56 ? 392 THR A CG2 1 +ATOM 2918 N N . SER A 1 375 ? 42.853 28.559 -14.770 1.00 29.30 ? 393 SER A N 1 +ATOM 2919 C CA . SER A 1 375 ? 42.711 29.581 -13.728 1.00 28.89 ? 393 SER A CA 1 +ATOM 2920 C C . SER A 1 375 ? 43.250 30.934 -14.190 1.00 29.70 ? 393 SER A C 1 +ATOM 2921 O O . SER A 1 375 ? 42.932 31.971 -13.596 1.00 31.94 ? 393 SER A O 1 +ATOM 2922 C CB . SER A 1 375 ? 43.454 29.160 -12.462 1.00 27.51 ? 393 SER A CB 1 +ATOM 2923 O OG . SER A 1 375 ? 44.847 29.088 -12.709 1.00 26.29 ? 393 SER A OG 1 +ATOM 2924 N N . VAL A 1 376 ? 44.082 30.910 -15.226 1.00 27.26 ? 394 VAL A N 1 +ATOM 2925 C CA . VAL A 1 376 ? 44.655 32.121 -15.789 1.00 28.95 ? 394 VAL A CA 1 +ATOM 2926 C C . VAL A 1 376 ? 43.701 32.612 -16.887 1.00 28.23 ? 394 VAL A C 1 +ATOM 2927 O O . VAL A 1 376 ? 43.348 33.784 -16.940 1.00 27.34 ? 394 VAL A O 1 +ATOM 2928 C CB . VAL A 1 376 ? 46.056 31.849 -16.404 1.00 27.40 ? 394 VAL A CB 1 +ATOM 2929 C CG1 . VAL A 1 376 ? 46.654 33.148 -16.920 1.00 27.48 ? 394 VAL A CG1 1 +ATOM 2930 C CG2 . VAL A 1 376 ? 46.981 31.228 -15.360 1.00 29.23 ? 394 VAL A CG2 1 +ATOM 2931 N N . LEU A 1 377 ? 43.289 31.690 -17.751 1.00 28.95 ? 395 LEU A N 1 +ATOM 2932 C CA . LEU A 1 377 ? 42.376 31.974 -18.848 1.00 29.94 ? 395 LEU A CA 1 +ATOM 2933 C C . LEU A 1 377 ? 41.037 32.526 -18.356 1.00 31.87 ? 395 LEU A C 1 +ATOM 2934 O O . LEU A 1 377 ? 40.348 33.239 -19.085 1.00 33.89 ? 395 LEU A O 1 +ATOM 2935 C CB . LEU A 1 377 ? 42.157 30.698 -19.666 1.00 28.82 ? 395 LEU A CB 1 +ATOM 2936 C CG . LEU A 1 377 ? 42.836 30.503 -21.030 1.00 32.39 ? 395 LEU A CG 1 +ATOM 2937 C CD1 . LEU A 1 377 ? 44.199 31.111 -21.076 1.00 30.41 ? 395 LEU A CD1 1 +ATOM 2938 C CD2 . LEU A 1 377 ? 42.901 29.020 -21.342 1.00 31.76 ? 395 LEU A CD2 1 +ATOM 2939 N N . HIS A 1 378 ? 40.675 32.207 -17.117 1.00 31.92 ? 396 HIS A N 1 +ATOM 2940 C CA . HIS A 1 378 ? 39.417 32.676 -16.555 1.00 32.92 ? 396 HIS A CA 1 +ATOM 2941 C C . HIS A 1 378 ? 39.551 33.659 -15.412 1.00 32.15 ? 396 HIS A C 1 +ATOM 2942 O O . HIS A 1 378 ? 38.616 33.812 -14.630 1.00 33.36 ? 396 HIS A O 1 +ATOM 2943 C CB . HIS A 1 378 ? 38.548 31.495 -16.104 1.00 34.34 ? 396 HIS A CB 1 +ATOM 2944 C CG . HIS A 1 378 ? 38.009 30.685 -17.235 1.00 34.58 ? 396 HIS A CG 1 +ATOM 2945 N ND1 . HIS A 1 378 ? 38.679 29.603 -17.761 1.00 37.23 ? 396 HIS A ND1 1 +ATOM 2946 C CD2 . HIS A 1 378 ? 36.895 30.841 -17.988 1.00 35.81 ? 396 HIS A CD2 1 +ATOM 2947 C CE1 . HIS A 1 378 ? 38.004 29.127 -18.790 1.00 36.22 ? 396 HIS A CE1 1 +ATOM 2948 N NE2 . HIS A 1 378 ? 36.917 29.861 -18.950 1.00 35.94 ? 396 HIS A NE2 1 +ATOM 2949 N N . ASP A 1 379 ? 40.704 34.316 -15.306 1.00 33.86 ? 397 ASP A N 1 +ATOM 2950 C CA . ASP A 1 379 ? 40.922 35.307 -14.257 1.00 35.91 ? 397 ASP A CA 1 +ATOM 2951 C C . ASP A 1 379 ? 39.805 36.338 -14.409 1.00 38.31 ? 397 ASP A C 1 +ATOM 2952 O O . ASP A 1 379 ? 39.679 36.971 -15.461 1.00 37.84 ? 397 ASP A O 1 +ATOM 2953 C CB . ASP A 1 379 ? 42.269 35.991 -14.441 1.00 37.82 ? 397 ASP A CB 1 +ATOM 2954 C CG . ASP A 1 379 ? 42.584 36.965 -13.314 1.00 38.59 ? 397 ASP A CG 1 +ATOM 2955 O OD1 . ASP A 1 379 ? 43.127 36.531 -12.274 1.00 37.61 ? 397 ASP A OD1 1 +ATOM 2956 O OD2 . ASP A 1 379 ? 42.274 38.163 -13.464 1.00 37.34 ? 397 ASP A OD2 1 +ATOM 2957 N N . ASP A 1 380 ? 39.001 36.502 -13.363 1.00 40.82 ? 398 ASP A N 1 +ATOM 2958 C CA . ASP A 1 380 ? 37.858 37.403 -13.419 1.00 44.07 ? 398 ASP A CA 1 +ATOM 2959 C C . ASP A 1 380 ? 38.153 38.902 -13.428 1.00 44.74 ? 398 ASP A C 1 +ATOM 2960 O O . ASP A 1 380 ? 37.241 39.710 -13.617 1.00 46.42 ? 398 ASP A O 1 +ATOM 2961 C CB . ASP A 1 380 ? 36.871 37.052 -12.296 1.00 45.90 ? 398 ASP A CB 1 +ATOM 2962 C CG . ASP A 1 380 ? 37.221 37.699 -10.981 1.00 49.90 ? 398 ASP A CG 1 +ATOM 2963 O OD1 . ASP A 1 380 ? 38.375 37.569 -10.524 1.00 52.99 ? 398 ASP A OD1 1 +ATOM 2964 O OD2 . ASP A 1 380 ? 36.326 38.345 -10.400 1.00 55.72 ? 398 ASP A OD2 1 +ATOM 2965 N N . LYS A 1 381 ? 39.413 39.274 -13.229 1.00 45.30 ? 399 LYS A N 1 +ATOM 2966 C CA . LYS A 1 381 ? 39.801 40.679 -13.242 1.00 46.08 ? 399 LYS A CA 1 +ATOM 2967 C C . LYS A 1 381 ? 40.350 41.052 -14.619 1.00 44.00 ? 399 LYS A C 1 +ATOM 2968 O O . LYS A 1 381 ? 39.998 42.094 -15.163 1.00 43.16 ? 399 LYS A O 1 +ATOM 2969 C CB . LYS A 1 381 ? 40.835 40.963 -12.149 1.00 48.98 ? 399 LYS A CB 1 +ATOM 2970 C CG . LYS A 1 381 ? 40.284 40.731 -10.742 1.00 55.97 ? 399 LYS A CG 1 +ATOM 2971 C CD . LYS A 1 381 ? 41.265 41.146 -9.649 1.00 60.32 ? 399 LYS A CD 1 +ATOM 2972 C CE . LYS A 1 381 ? 40.718 40.825 -8.254 1.00 62.96 ? 399 LYS A CE 1 +ATOM 2973 N NZ . LYS A 1 381 ? 39.419 41.513 -7.964 1.00 65.00 ? 399 LYS A NZ 1 +ATOM 2974 N N . GLU A 1 382 ? 41.196 40.189 -15.180 1.00 40.64 ? 400 GLU A N 1 +ATOM 2975 C CA . GLU A 1 382 ? 41.778 40.413 -16.504 1.00 38.57 ? 400 GLU A CA 1 +ATOM 2976 C C . GLU A 1 382 ? 40.699 40.272 -17.583 1.00 37.17 ? 400 GLU A C 1 +ATOM 2977 O O . GLU A 1 382 ? 40.775 40.913 -18.640 1.00 36.49 ? 400 GLU A O 1 +ATOM 2978 C CB . GLU A 1 382 ? 42.907 39.406 -16.768 1.00 36.45 ? 400 GLU A CB 1 +ATOM 2979 C CG . GLU A 1 382 ? 43.568 39.531 -18.141 1.00 36.65 ? 400 GLU A CG 1 +ATOM 2980 C CD . GLU A 1 382 ? 44.432 40.777 -18.295 1.00 36.59 ? 400 GLU A CD 1 +ATOM 2981 O OE1 . GLU A 1 382 ? 44.424 41.644 -17.392 1.00 37.19 ? 400 GLU A OE1 1 +ATOM 2982 O OE2 . GLU A 1 382 ? 45.126 40.886 -19.328 1.00 34.26 ? 400 GLU A OE2 1 +ATOM 2983 N N . PHE A 1 383 ? 39.712 39.420 -17.311 1.00 34.79 ? 401 PHE A N 1 +ATOM 2984 C CA . PHE A 1 383 ? 38.605 39.185 -18.234 1.00 35.51 ? 401 PHE A CA 1 +ATOM 2985 C C . PHE A 1 383 ? 37.282 39.231 -17.471 1.00 37.77 ? 401 PHE A C 1 +ATOM 2986 O O . PHE A 1 383 ? 36.766 38.190 -17.073 1.00 39.35 ? 401 PHE A O 1 +ATOM 2987 C CB . PHE A 1 383 ? 38.726 37.813 -18.918 1.00 31.36 ? 401 PHE A CB 1 +ATOM 2988 C CG . PHE A 1 383 ? 40.075 37.540 -19.520 1.00 30.63 ? 401 PHE A CG 1 +ATOM 2989 C CD1 . PHE A 1 383 ? 40.919 36.569 -18.951 1.00 28.98 ? 401 PHE A CD1 1 +ATOM 2990 C CD2 . PHE A 1 383 ? 40.506 38.235 -20.667 1.00 29.44 ? 401 PHE A CD2 1 +ATOM 2991 C CE1 . PHE A 1 383 ? 42.184 36.281 -19.515 1.00 27.49 ? 401 PHE A CE1 1 +ATOM 2992 C CE2 . PHE A 1 383 ? 41.767 37.964 -21.248 1.00 26.65 ? 401 PHE A CE2 1 +ATOM 2993 C CZ . PHE A 1 383 ? 42.613 36.980 -20.669 1.00 29.29 ? 401 PHE A CZ 1 +ATOM 2994 N N . PRO A 1 384 ? 36.710 40.435 -17.254 1.00 40.44 ? 402 PRO A N 1 +ATOM 2995 C CA . PRO A 1 384 ? 35.433 40.513 -16.523 1.00 41.00 ? 402 PRO A CA 1 +ATOM 2996 C C . PRO A 1 384 ? 34.406 39.595 -17.194 1.00 41.33 ? 402 PRO A C 1 +ATOM 2997 O O . PRO A 1 384 ? 34.327 39.555 -18.420 1.00 41.56 ? 402 PRO A O 1 +ATOM 2998 C CB . PRO A 1 384 ? 35.064 41.991 -16.630 1.00 41.55 ? 402 PRO A CB 1 +ATOM 2999 C CG . PRO A 1 384 ? 36.407 42.669 -16.706 1.00 41.74 ? 402 PRO A CG 1 +ATOM 3000 C CD . PRO A 1 384 ? 37.142 41.777 -17.689 1.00 39.56 ? 402 PRO A CD 1 +ATOM 3001 N N . ASN A 1 385 ? 33.632 38.866 -16.389 1.00 43.42 ? 403 ASN A N 1 +ATOM 3002 C CA . ASN A 1 385 ? 32.640 37.904 -16.891 1.00 43.15 ? 403 ASN A CA 1 +ATOM 3003 C C . ASN A 1 385 ? 33.408 36.887 -17.758 1.00 41.97 ? 403 ASN A C 1 +ATOM 3004 O O . ASN A 1 385 ? 33.178 36.788 -18.962 1.00 42.69 ? 403 ASN A O 1 +ATOM 3005 C CB . ASN A 1 385 ? 31.559 38.617 -17.723 1.00 44.79 ? 403 ASN A CB 1 +ATOM 3006 C CG . ASN A 1 385 ? 30.826 39.699 -16.935 1.00 48.70 ? 403 ASN A CG 1 +ATOM 3007 O OD1 . ASN A 1 385 ? 30.249 39.437 -15.876 1.00 48.12 ? 403 ASN A OD1 1 +ATOM 3008 N ND2 . ASN A 1 385 ? 30.844 40.922 -17.457 1.00 50.28 ? 403 ASN A ND2 1 +ATOM 3009 N N . PRO A 1 386 ? 34.337 36.121 -17.148 1.00 40.52 ? 404 PRO A N 1 +ATOM 3010 C CA . PRO A 1 386 ? 35.129 35.137 -17.892 1.00 39.12 ? 404 PRO A CA 1 +ATOM 3011 C C . PRO A 1 386 ? 34.407 33.921 -18.465 1.00 39.00 ? 404 PRO A C 1 +ATOM 3012 O O . PRO A 1 386 ? 34.955 33.220 -19.311 1.00 38.60 ? 404 PRO A O 1 +ATOM 3013 C CB . PRO A 1 386 ? 36.219 34.754 -16.892 1.00 39.87 ? 404 PRO A CB 1 +ATOM 3014 C CG . PRO A 1 386 ? 35.514 34.828 -15.598 1.00 40.20 ? 404 PRO A CG 1 +ATOM 3015 C CD . PRO A 1 386 ? 34.724 36.114 -15.722 1.00 41.85 ? 404 PRO A CD 1 +ATOM 3016 N N . ASN A 1 387 ? 33.181 33.673 -18.022 1.00 39.86 ? 405 ASN A N 1 +ATOM 3017 C CA . ASN A 1 387 ? 32.432 32.527 -18.519 1.00 40.47 ? 405 ASN A CA 1 +ATOM 3018 C C . ASN A 1 387 ? 31.530 32.877 -19.698 1.00 39.79 ? 405 ASN A C 1 +ATOM 3019 O O . ASN A 1 387 ? 30.746 32.050 -20.164 1.00 40.18 ? 405 ASN A O 1 +ATOM 3020 C CB . ASN A 1 387 ? 31.631 31.908 -17.376 1.00 44.00 ? 405 ASN A CB 1 +ATOM 3021 C CG . ASN A 1 387 ? 32.509 31.553 -16.197 1.00 48.88 ? 405 ASN A CG 1 +ATOM 3022 O OD1 . ASN A 1 387 ? 33.603 31.005 -16.369 1.00 51.78 ? 405 ASN A OD1 1 +ATOM 3023 N ND2 . ASN A 1 387 ? 32.044 31.866 -14.990 1.00 51.56 ? 405 ASN A ND2 1 +ATOM 3024 N N . ILE A 1 388 ? 31.671 34.107 -20.183 1.00 38.07 ? 406 ILE A N 1 +ATOM 3025 C CA . ILE A 1 388 ? 30.911 34.611 -21.316 1.00 36.14 ? 406 ILE A CA 1 +ATOM 3026 C C . ILE A 1 388 ? 31.882 34.725 -22.484 1.00 34.45 ? 406 ILE A C 1 +ATOM 3027 O O . ILE A 1 388 ? 33.005 35.188 -22.310 1.00 35.25 ? 406 ILE A O 1 +ATOM 3028 C CB . ILE A 1 388 ? 30.310 36.010 -20.980 1.00 39.72 ? 406 ILE A CB 1 +ATOM 3029 C CG1 . ILE A 1 388 ? 29.245 35.851 -19.891 1.00 41.66 ? 406 ILE A CG1 1 +ATOM 3030 C CG2 . ILE A 1 388 ? 29.743 36.690 -22.247 1.00 39.71 ? 406 ILE A CG2 1 +ATOM 3031 C CD1 . ILE A 1 388 ? 28.704 37.160 -19.335 1.00 47.46 ? 406 ILE A CD1 1 +ATOM 3032 N N . PHE A 1 389 ? 31.466 34.259 -23.657 1.00 33.05 ? 407 PHE A N 1 +ATOM 3033 C CA . PHE A 1 389 ? 32.286 34.352 -24.861 1.00 33.92 ? 407 PHE A CA 1 +ATOM 3034 C C . PHE A 1 389 ? 32.099 35.796 -25.351 1.00 34.33 ? 407 PHE A C 1 +ATOM 3035 O O . PHE A 1 389 ? 30.987 36.197 -25.708 1.00 34.80 ? 407 PHE A O 1 +ATOM 3036 C CB . PHE A 1 389 ? 31.779 33.374 -25.926 1.00 31.06 ? 407 PHE A CB 1 +ATOM 3037 C CG . PHE A 1 389 ? 32.491 33.482 -27.251 1.00 31.67 ? 407 PHE A CG 1 +ATOM 3038 C CD1 . PHE A 1 389 ? 33.739 32.872 -27.444 1.00 31.08 ? 407 PHE A CD1 1 +ATOM 3039 C CD2 . PHE A 1 389 ? 31.902 34.182 -28.325 1.00 32.58 ? 407 PHE A CD2 1 +ATOM 3040 C CE1 . PHE A 1 389 ? 34.407 32.944 -28.692 1.00 30.43 ? 407 PHE A CE1 1 +ATOM 3041 C CE2 . PHE A 1 389 ? 32.545 34.271 -29.580 1.00 31.88 ? 407 PHE A CE2 1 +ATOM 3042 C CZ . PHE A 1 389 ? 33.811 33.644 -29.767 1.00 33.82 ? 407 PHE A CZ 1 +ATOM 3043 N N . ASP A 1 390 ? 33.182 36.566 -25.361 1.00 33.54 ? 408 ASP A N 1 +ATOM 3044 C CA . ASP A 1 390 ? 33.130 37.966 -25.780 1.00 33.92 ? 408 ASP A CA 1 +ATOM 3045 C C . ASP A 1 390 ? 34.463 38.431 -26.354 1.00 32.20 ? 408 ASP A C 1 +ATOM 3046 O O . ASP A 1 390 ? 35.421 38.624 -25.610 1.00 30.65 ? 408 ASP A O 1 +ATOM 3047 C CB . ASP A 1 390 ? 32.753 38.846 -24.579 1.00 33.70 ? 408 ASP A CB 1 +ATOM 3048 C CG . ASP A 1 390 ? 32.595 40.325 -24.937 1.00 35.64 ? 408 ASP A CG 1 +ATOM 3049 O OD1 . ASP A 1 390 ? 32.237 41.097 -24.023 1.00 36.81 ? 408 ASP A OD1 1 +ATOM 3050 O OD2 . ASP A 1 390 ? 32.817 40.729 -26.103 1.00 37.54 ? 408 ASP A OD2 1 +ATOM 3051 N N . PRO A 1 391 ? 34.532 38.638 -27.687 1.00 32.05 ? 409 PRO A N 1 +ATOM 3052 C CA . PRO A 1 391 ? 35.758 39.092 -28.357 1.00 31.34 ? 409 PRO A CA 1 +ATOM 3053 C C . PRO A 1 391 ? 36.316 40.383 -27.745 1.00 31.49 ? 409 PRO A C 1 +ATOM 3054 O O . PRO A 1 391 ? 37.492 40.678 -27.890 1.00 33.67 ? 409 PRO A O 1 +ATOM 3055 C CB . PRO A 1 391 ? 35.309 39.286 -29.800 1.00 32.35 ? 409 PRO A CB 1 +ATOM 3056 C CG . PRO A 1 391 ? 34.215 38.260 -29.947 1.00 31.58 ? 409 PRO A CG 1 +ATOM 3057 C CD . PRO A 1 391 ? 33.449 38.456 -28.670 1.00 31.53 ? 409 PRO A CD 1 +ATOM 3058 N N . GLY A 1 392 ? 35.465 41.137 -27.050 1.00 32.55 ? 410 GLY A N 1 +ATOM 3059 C CA . GLY A 1 392 ? 35.888 42.371 -26.404 1.00 34.16 ? 410 GLY A CA 1 +ATOM 3060 C C . GLY A 1 392 ? 36.989 42.172 -25.373 1.00 35.81 ? 410 GLY A C 1 +ATOM 3061 O O . GLY A 1 392 ? 37.689 43.125 -25.012 1.00 34.61 ? 410 GLY A O 1 +ATOM 3062 N N . HIS A 1 393 ? 37.143 40.935 -24.889 1.00 35.13 ? 411 HIS A N 1 +ATOM 3063 C CA . HIS A 1 393 ? 38.182 40.601 -23.910 1.00 33.76 ? 411 HIS A CA 1 +ATOM 3064 C C . HIS A 1 393 ? 39.585 40.813 -24.490 1.00 34.60 ? 411 HIS A C 1 +ATOM 3065 O O . HIS A 1 393 ? 40.561 40.886 -23.741 1.00 35.73 ? 411 HIS A O 1 +ATOM 3066 C CB . HIS A 1 393 ? 38.051 39.136 -23.474 1.00 33.44 ? 411 HIS A CB 1 +ATOM 3067 C CG . HIS A 1 393 ? 36.965 38.887 -22.475 1.00 29.96 ? 411 HIS A CG 1 +ATOM 3068 N ND1 . HIS A 1 393 ? 36.132 37.792 -22.546 1.00 26.95 ? 411 HIS A ND1 1 +ATOM 3069 C CD2 . HIS A 1 393 ? 36.575 39.587 -21.384 1.00 28.02 ? 411 HIS A CD2 1 +ATOM 3070 C CE1 . HIS A 1 393 ? 35.273 37.831 -21.545 1.00 26.03 ? 411 HIS A CE1 1 +ATOM 3071 N NE2 . HIS A 1 393 ? 35.520 38.911 -20.826 1.00 28.41 ? 411 HIS A NE2 1 +ATOM 3072 N N . PHE A 1 394 ? 39.675 40.896 -25.819 1.00 33.66 ? 412 PHE A N 1 +ATOM 3073 C CA . PHE A 1 394 ? 40.944 41.086 -26.523 1.00 34.42 ? 412 PHE A CA 1 +ATOM 3074 C C . PHE A 1 394 ? 40.880 42.288 -27.475 1.00 35.29 ? 412 PHE A C 1 +ATOM 3075 O O . PHE A 1 394 ? 41.519 42.306 -28.528 1.00 36.22 ? 412 PHE A O 1 +ATOM 3076 C CB . PHE A 1 394 ? 41.289 39.810 -27.300 1.00 30.60 ? 412 PHE A CB 1 +ATOM 3077 C CG . PHE A 1 394 ? 41.619 38.646 -26.416 1.00 33.57 ? 412 PHE A CG 1 +ATOM 3078 C CD1 . PHE A 1 394 ? 42.900 38.524 -25.847 1.00 30.22 ? 412 PHE A CD1 1 +ATOM 3079 C CD2 . PHE A 1 394 ? 40.638 37.683 -26.107 1.00 29.72 ? 412 PHE A CD2 1 +ATOM 3080 C CE1 . PHE A 1 394 ? 43.205 37.458 -24.974 1.00 32.42 ? 412 PHE A CE1 1 +ATOM 3081 C CE2 . PHE A 1 394 ? 40.930 36.608 -25.233 1.00 32.86 ? 412 PHE A CE2 1 +ATOM 3082 C CZ . PHE A 1 394 ? 42.216 36.497 -24.665 1.00 31.02 ? 412 PHE A CZ 1 +ATOM 3083 N N . LEU A 1 395 ? 40.115 43.295 -27.076 1.00 36.13 ? 413 LEU A N 1 +ATOM 3084 C CA . LEU A 1 395 ? 39.922 44.491 -27.881 1.00 36.38 ? 413 LEU A CA 1 +ATOM 3085 C C . LEU A 1 395 ? 39.958 45.717 -26.983 1.00 35.29 ? 413 LEU A C 1 +ATOM 3086 O O . LEU A 1 395 ? 39.416 45.685 -25.884 1.00 32.92 ? 413 LEU A O 1 +ATOM 3087 C CB . LEU A 1 395 ? 38.557 44.395 -28.569 1.00 35.88 ? 413 LEU A CB 1 +ATOM 3088 C CG . LEU A 1 395 ? 38.368 44.392 -30.087 1.00 36.97 ? 413 LEU A CG 1 +ATOM 3089 C CD1 . LEU A 1 395 ? 39.491 43.697 -30.825 1.00 35.96 ? 413 LEU A CD1 1 +ATOM 3090 C CD2 . LEU A 1 395 ? 37.040 43.716 -30.375 1.00 36.02 ? 413 LEU A CD2 1 +ATOM 3091 N N . ASP A 1 396 ? 40.604 46.793 -27.431 1.00 36.78 ? 414 ASP A N 1 +ATOM 3092 C CA . ASP A 1 396 ? 40.618 48.008 -26.617 1.00 40.32 ? 414 ASP A CA 1 +ATOM 3093 C C . ASP A 1 396 ? 39.446 48.916 -27.025 1.00 42.43 ? 414 ASP A C 1 +ATOM 3094 O O . ASP A 1 396 ? 38.645 48.562 -27.899 1.00 41.44 ? 414 ASP A O 1 +ATOM 3095 C CB . ASP A 1 396 ? 41.978 48.743 -26.709 1.00 41.73 ? 414 ASP A CB 1 +ATOM 3096 C CG . ASP A 1 396 ? 42.246 49.382 -28.075 1.00 42.55 ? 414 ASP A CG 1 +ATOM 3097 O OD1 . ASP A 1 396 ? 43.436 49.642 -28.351 1.00 43.86 ? 414 ASP A OD1 1 +ATOM 3098 O OD2 . ASP A 1 396 ? 41.305 49.642 -28.861 1.00 41.29 ? 414 ASP A OD2 1 +ATOM 3099 N N . LYS A 1 397 ? 39.369 50.079 -26.384 1.00 43.40 ? 415 LYS A N 1 +ATOM 3100 C CA . LYS A 1 397 ? 38.324 51.083 -26.583 1.00 45.71 ? 415 LYS A CA 1 +ATOM 3101 C C . LYS A 1 397 ? 38.127 51.578 -28.024 1.00 44.93 ? 415 LYS A C 1 +ATOM 3102 O O . LYS A 1 397 ? 37.046 52.051 -28.377 1.00 44.67 ? 415 LYS A O 1 +ATOM 3103 C CB . LYS A 1 397 ? 38.598 52.286 -25.660 1.00 48.68 ? 415 LYS A CB 1 +ATOM 3104 C CG . LYS A 1 397 ? 38.829 51.917 -24.171 1.00 54.02 ? 415 LYS A CG 1 +ATOM 3105 C CD . LYS A 1 397 ? 40.251 51.355 -23.912 1.00 53.80 ? 415 LYS A CD 1 +ATOM 3106 C CE . LYS A 1 397 ? 40.292 50.448 -22.686 1.00 54.31 ? 415 LYS A CE 1 +ATOM 3107 N NZ . LYS A 1 397 ? 41.522 49.601 -22.668 1.00 53.48 ? 415 LYS A NZ 1 +ATOM 3108 N N . ASN A 1 398 ? 39.165 51.464 -28.844 1.00 44.50 ? 416 ASN A N 1 +ATOM 3109 C CA . ASN A 1 398 ? 39.117 51.896 -30.235 1.00 43.48 ? 416 ASN A CA 1 +ATOM 3110 C C . ASN A 1 398 ? 39.001 50.728 -31.216 1.00 44.01 ? 416 ASN A C 1 +ATOM 3111 O O . ASN A 1 398 ? 39.161 50.907 -32.428 1.00 43.89 ? 416 ASN A O 1 +ATOM 3112 C CB . ASN A 1 398 ? 40.360 52.734 -30.552 1.00 46.17 ? 416 ASN A CB 1 +ATOM 3113 C CG . ASN A 1 398 ? 40.505 53.929 -29.618 1.00 48.93 ? 416 ASN A CG 1 +ATOM 3114 O OD1 . ASN A 1 398 ? 39.574 54.725 -29.462 1.00 50.69 ? 416 ASN A OD1 1 +ATOM 3115 N ND2 . ASN A 1 398 ? 41.671 54.057 -28.989 1.00 50.73 ? 416 ASN A ND2 1 +ATOM 3116 N N . GLY A 1 399 ? 38.721 49.534 -30.694 1.00 42.15 ? 417 GLY A N 1 +ATOM 3117 C CA . GLY A 1 399 ? 38.571 48.367 -31.549 1.00 40.63 ? 417 GLY A CA 1 +ATOM 3118 C C . GLY A 1 399 ? 39.869 47.733 -32.010 1.00 40.39 ? 417 GLY A C 1 +ATOM 3119 O O . GLY A 1 399 ? 39.872 46.909 -32.934 1.00 39.82 ? 417 GLY A O 1 +ATOM 3120 N N . ASN A 1 400 ? 40.975 48.122 -31.384 1.00 40.25 ? 418 ASN A N 1 +ATOM 3121 C CA . ASN A 1 400 ? 42.273 47.565 -31.737 1.00 42.91 ? 418 ASN A CA 1 +ATOM 3122 C C . ASN A 1 400 ? 42.547 46.346 -30.859 1.00 42.33 ? 418 ASN A C 1 +ATOM 3123 O O . ASN A 1 400 ? 42.057 46.262 -29.732 1.00 41.66 ? 418 ASN A O 1 +ATOM 3124 C CB . ASN A 1 400 ? 43.379 48.605 -31.541 1.00 45.25 ? 418 ASN A CB 1 +ATOM 3125 C CG . ASN A 1 400 ? 43.320 49.729 -32.572 1.00 47.42 ? 418 ASN A CG 1 +ATOM 3126 O OD1 . ASN A 1 400 ? 43.399 49.488 -33.779 1.00 47.67 ? 418 ASN A OD1 1 +ATOM 3127 N ND2 . ASN A 1 400 ? 43.188 50.959 -32.094 1.00 45.08 ? 418 ASN A ND2 1 +ATOM 3128 N N . PHE A 1 401 ? 43.325 45.407 -31.386 1.00 41.65 ? 419 PHE A N 1 +ATOM 3129 C CA . PHE A 1 401 ? 43.663 44.201 -30.648 1.00 42.21 ? 419 PHE A CA 1 +ATOM 3130 C C . PHE A 1 401 ? 44.469 44.527 -29.394 1.00 41.02 ? 419 PHE A C 1 +ATOM 3131 O O . PHE A 1 401 ? 45.477 45.235 -29.452 1.00 39.44 ? 419 PHE A O 1 +ATOM 3132 C CB . PHE A 1 401 ? 44.448 43.231 -31.538 1.00 43.03 ? 419 PHE A CB 1 +ATOM 3133 C CG . PHE A 1 401 ? 44.771 41.927 -30.861 1.00 46.29 ? 419 PHE A CG 1 +ATOM 3134 C CD1 . PHE A 1 401 ? 46.020 41.733 -30.247 1.00 45.08 ? 419 PHE A CD1 1 +ATOM 3135 C CD2 . PHE A 1 401 ? 43.800 40.917 -30.764 1.00 44.16 ? 419 PHE A CD2 1 +ATOM 3136 C CE1 . PHE A 1 401 ? 46.300 40.554 -29.538 1.00 46.35 ? 419 PHE A CE1 1 +ATOM 3137 C CE2 . PHE A 1 401 ? 44.064 39.731 -30.057 1.00 44.46 ? 419 PHE A CE2 1 +ATOM 3138 C CZ . PHE A 1 401 ? 45.317 39.550 -29.440 1.00 45.31 ? 419 PHE A CZ 1 +ATOM 3139 N N . LYS A 1 402 ? 44.001 44.005 -28.265 1.00 39.07 ? 420 LYS A N 1 +ATOM 3140 C CA . LYS A 1 402 ? 44.649 44.200 -26.979 1.00 39.02 ? 420 LYS A CA 1 +ATOM 3141 C C . LYS A 1 402 ? 45.204 42.854 -26.508 1.00 39.62 ? 420 LYS A C 1 +ATOM 3142 O O . LYS A 1 402 ? 44.448 41.915 -26.234 1.00 40.40 ? 420 LYS A O 1 +ATOM 3143 C CB . LYS A 1 402 ? 43.633 44.758 -25.976 1.00 38.35 ? 420 LYS A CB 1 +ATOM 3144 C CG . LYS A 1 402 ? 44.139 44.902 -24.545 1.00 38.63 ? 420 LYS A CG 1 +ATOM 3145 C CD . LYS A 1 402 ? 43.119 45.590 -23.637 1.00 39.79 ? 420 LYS A CD 1 +ATOM 3146 C CE . LYS A 1 402 ? 41.784 44.852 -23.594 1.00 40.87 ? 420 LYS A CE 1 +ATOM 3147 N NZ . LYS A 1 402 ? 40.821 45.497 -22.668 1.00 43.99 ? 420 LYS A NZ 1 +ATOM 3148 N N . LYS A 1 403 ? 46.529 42.767 -26.431 1.00 40.67 ? 421 LYS A N 1 +ATOM 3149 C CA . LYS A 1 403 ? 47.211 41.547 -26.003 1.00 41.33 ? 421 LYS A CA 1 +ATOM 3150 C C . LYS A 1 403 ? 47.094 41.362 -24.492 1.00 39.80 ? 421 LYS A C 1 +ATOM 3151 O O . LYS A 1 403 ? 46.956 42.336 -23.745 1.00 38.32 ? 421 LYS A O 1 +ATOM 3152 C CB . LYS A 1 403 ? 48.689 41.592 -26.414 1.00 44.75 ? 421 LYS A CB 1 +ATOM 3153 C CG . LYS A 1 403 ? 49.447 40.302 -26.113 1.00 52.75 ? 421 LYS A CG 1 +ATOM 3154 C CD . LYS A 1 403 ? 50.851 40.271 -26.697 1.00 56.28 ? 421 LYS A CD 1 +ATOM 3155 C CE . LYS A 1 403 ? 51.549 38.958 -26.323 1.00 58.78 ? 421 LYS A CE 1 +ATOM 3156 N NZ . LYS A 1 403 ? 52.891 38.806 -26.969 1.00 61.44 ? 421 LYS A NZ 1 +ATOM 3157 N N . SER A 1 404 ? 47.140 40.106 -24.052 1.00 37.51 ? 422 SER A N 1 +ATOM 3158 C CA . SER A 1 404 ? 47.043 39.782 -22.635 1.00 35.44 ? 422 SER A CA 1 +ATOM 3159 C C . SER A 1 404 ? 48.117 38.810 -22.161 1.00 34.82 ? 422 SER A C 1 +ATOM 3160 O O . SER A 1 404 ? 48.408 37.810 -22.815 1.00 34.67 ? 422 SER A O 1 +ATOM 3161 C CB . SER A 1 404 ? 45.666 39.198 -22.328 1.00 34.72 ? 422 SER A CB 1 +ATOM 3162 O OG . SER A 1 404 ? 45.580 38.795 -20.978 1.00 33.42 ? 422 SER A OG 1 +ATOM 3163 N N . ASP A 1 405 ? 48.710 39.127 -21.016 1.00 34.10 ? 423 ASP A N 1 +ATOM 3164 C CA . ASP A 1 405 ? 49.724 38.276 -20.406 1.00 34.87 ? 423 ASP A CA 1 +ATOM 3165 C C . ASP A 1 405 ? 49.045 36.992 -19.889 1.00 34.43 ? 423 ASP A C 1 +ATOM 3166 O O . ASP A 1 405 ? 49.710 35.985 -19.674 1.00 36.00 ? 423 ASP A O 1 +ATOM 3167 C CB . ASP A 1 405 ? 50.387 39.004 -19.225 1.00 35.69 ? 423 ASP A CB 1 +ATOM 3168 C CG . ASP A 1 405 ? 51.244 40.192 -19.659 1.00 37.11 ? 423 ASP A CG 1 +ATOM 3169 O OD1 . ASP A 1 405 ? 51.232 41.222 -18.950 1.00 41.45 ? 423 ASP A OD1 1 +ATOM 3170 O OD2 . ASP A 1 405 ? 51.941 40.097 -20.690 1.00 37.42 ? 423 ASP A OD2 1 +ATOM 3171 N N . TYR A 1 406 ? 47.723 37.046 -19.702 1.00 31.37 ? 424 TYR A N 1 +ATOM 3172 C CA . TYR A 1 406 ? 46.939 35.914 -19.201 1.00 32.22 ? 424 TYR A CA 1 +ATOM 3173 C C . TYR A 1 406 ? 46.481 34.960 -20.300 1.00 31.86 ? 424 TYR A C 1 +ATOM 3174 O O . TYR A 1 406 ? 45.734 34.016 -20.040 1.00 32.07 ? 424 TYR A O 1 +ATOM 3175 C CB . TYR A 1 406 ? 45.711 36.405 -18.430 1.00 31.07 ? 424 TYR A CB 1 +ATOM 3176 C CG . TYR A 1 406 ? 46.002 37.101 -17.117 1.00 34.78 ? 424 TYR A CG 1 +ATOM 3177 C CD1 . TYR A 1 406 ? 46.843 38.236 -17.055 1.00 34.92 ? 424 TYR A CD1 1 +ATOM 3178 C CD2 . TYR A 1 406 ? 45.377 36.679 -15.935 1.00 32.88 ? 424 TYR A CD2 1 +ATOM 3179 C CE1 . TYR A 1 406 ? 47.041 38.933 -15.841 1.00 35.62 ? 424 TYR A CE1 1 +ATOM 3180 C CE2 . TYR A 1 406 ? 45.567 37.370 -14.722 1.00 34.08 ? 424 TYR A CE2 1 +ATOM 3181 C CZ . TYR A 1 406 ? 46.396 38.492 -14.686 1.00 33.98 ? 424 TYR A CZ 1 +ATOM 3182 O OH . TYR A 1 406 ? 46.572 39.165 -13.503 1.00 37.14 ? 424 TYR A OH 1 +ATOM 3183 N N . PHE A 1 407 ? 46.923 35.211 -21.526 1.00 30.15 ? 425 PHE A N 1 +ATOM 3184 C CA . PHE A 1 407 ? 46.564 34.358 -22.633 1.00 29.27 ? 425 PHE A CA 1 +ATOM 3185 C C . PHE A 1 407 ? 47.575 33.220 -22.633 1.00 29.74 ? 425 PHE A C 1 +ATOM 3186 O O . PHE A 1 407 ? 48.623 33.308 -23.267 1.00 28.52 ? 425 PHE A O 1 +ATOM 3187 C CB . PHE A 1 407 ? 46.617 35.127 -23.962 1.00 26.19 ? 425 PHE A CB 1 +ATOM 3188 C CG . PHE A 1 407 ? 46.142 34.325 -25.149 1.00 24.13 ? 425 PHE A CG 1 +ATOM 3189 C CD1 . PHE A 1 407 ? 44.789 33.980 -25.282 1.00 22.01 ? 425 PHE A CD1 1 +ATOM 3190 C CD2 . PHE A 1 407 ? 47.051 33.875 -26.114 1.00 23.05 ? 425 PHE A CD2 1 +ATOM 3191 C CE1 . PHE A 1 407 ? 44.344 33.192 -26.359 1.00 22.88 ? 425 PHE A CE1 1 +ATOM 3192 C CE2 . PHE A 1 407 ? 46.624 33.084 -27.199 1.00 21.17 ? 425 PHE A CE2 1 +ATOM 3193 C CZ . PHE A 1 407 ? 45.260 32.740 -27.320 1.00 21.45 ? 425 PHE A CZ 1 +ATOM 3194 N N . MET A 1 408 ? 47.247 32.155 -21.907 1.00 30.68 ? 426 MET A N 1 +ATOM 3195 C CA . MET A 1 408 ? 48.119 30.990 -21.816 1.00 30.78 ? 426 MET A CA 1 +ATOM 3196 C C . MET A 1 408 ? 47.518 29.654 -22.293 1.00 29.62 ? 426 MET A C 1 +ATOM 3197 O O . MET A 1 408 ? 47.766 28.624 -21.667 1.00 33.65 ? 426 MET A O 1 +ATOM 3198 C CB . MET A 1 408 ? 48.598 30.813 -20.371 1.00 31.01 ? 426 MET A CB 1 +ATOM 3199 C CG . MET A 1 408 ? 49.523 31.883 -19.853 1.00 30.41 ? 426 MET A CG 1 +ATOM 3200 S SD . MET A 1 408 ? 50.094 31.390 -18.220 1.00 33.49 ? 426 MET A SD 1 +ATOM 3201 C CE . MET A 1 408 ? 50.905 32.892 -17.667 1.00 32.04 ? 426 MET A CE 1 +ATOM 3202 N N . PRO A 1 409 ? 46.743 29.639 -23.399 1.00 27.46 ? 427 PRO A N 1 +ATOM 3203 C CA . PRO A 1 409 ? 46.189 28.341 -23.822 1.00 27.34 ? 427 PRO A CA 1 +ATOM 3204 C C . PRO A 1 409 ? 47.256 27.360 -24.309 1.00 26.95 ? 427 PRO A C 1 +ATOM 3205 O O . PRO A 1 409 ? 47.005 26.162 -24.401 1.00 27.81 ? 427 PRO A O 1 +ATOM 3206 C CB . PRO A 1 409 ? 45.221 28.728 -24.947 1.00 27.24 ? 427 PRO A CB 1 +ATOM 3207 C CG . PRO A 1 409 ? 45.958 29.886 -25.598 1.00 26.24 ? 427 PRO A CG 1 +ATOM 3208 C CD . PRO A 1 409 ? 46.390 30.693 -24.376 1.00 25.49 ? 427 PRO A CD 1 +ATOM 3209 N N . PHE A 1 410 ? 48.428 27.890 -24.649 1.00 26.48 ? 428 PHE A N 1 +ATOM 3210 C CA . PHE A 1 410 ? 49.566 27.105 -25.139 1.00 26.15 ? 428 PHE A CA 1 +ATOM 3211 C C . PHE A 1 410 ? 50.590 26.892 -24.016 1.00 26.65 ? 428 PHE A C 1 +ATOM 3212 O O . PHE A 1 410 ? 51.694 26.394 -24.259 1.00 26.53 ? 428 PHE A O 1 +ATOM 3213 C CB . PHE A 1 410 ? 50.267 27.862 -26.279 1.00 25.72 ? 428 PHE A CB 1 +ATOM 3214 C CG . PHE A 1 410 ? 49.435 28.023 -27.524 1.00 24.99 ? 428 PHE A CG 1 +ATOM 3215 C CD1 . PHE A 1 410 ? 49.203 26.935 -28.371 1.00 24.40 ? 428 PHE A CD1 1 +ATOM 3216 C CD2 . PHE A 1 410 ? 48.920 29.282 -27.879 1.00 26.72 ? 428 PHE A CD2 1 +ATOM 3217 C CE1 . PHE A 1 410 ? 48.473 27.087 -29.563 1.00 24.98 ? 428 PHE A CE1 1 +ATOM 3218 C CE2 . PHE A 1 410 ? 48.185 29.451 -29.073 1.00 23.57 ? 428 PHE A CE2 1 +ATOM 3219 C CZ . PHE A 1 410 ? 47.965 28.350 -29.914 1.00 25.06 ? 428 PHE A CZ 1 +ATOM 3220 N N . SER A 1 411 ? 50.210 27.291 -22.803 1.00 26.10 ? 429 SER A N 1 +ATOM 3221 C CA . SER A 1 411 ? 51.050 27.225 -21.615 1.00 29.37 ? 429 SER A CA 1 +ATOM 3222 C C . SER A 1 411 ? 52.057 28.379 -21.711 1.00 30.75 ? 429 SER A C 1 +ATOM 3223 O O . SER A 1 411 ? 51.873 29.292 -22.515 1.00 30.14 ? 429 SER A O 1 +ATOM 3224 C CB . SER A 1 411 ? 51.767 25.872 -21.494 1.00 28.82 ? 429 SER A CB 1 +ATOM 3225 O OG . SER A 1 411 ? 52.408 25.766 -20.240 1.00 33.62 ? 429 SER A OG 1 +ATOM 3226 N N . ALA A 1 412 ? 53.106 28.343 -20.900 1.00 29.73 ? 430 ALA A N 1 +ATOM 3227 C CA . ALA A 1 412 ? 54.101 29.401 -20.877 1.00 30.59 ? 430 ALA A CA 1 +ATOM 3228 C C . ALA A 1 412 ? 55.435 28.864 -20.390 1.00 33.16 ? 430 ALA A C 1 +ATOM 3229 O O . ALA A 1 412 ? 55.530 27.722 -19.934 1.00 33.73 ? 430 ALA A O 1 +ATOM 3230 C CB . ALA A 1 412 ? 53.630 30.518 -19.961 1.00 30.50 ? 430 ALA A CB 1 +ATOM 3231 N N . GLY A 1 413 ? 56.465 29.693 -20.486 1.00 35.00 ? 431 GLY A N 1 +ATOM 3232 C CA . GLY A 1 413 ? 57.782 29.286 -20.040 1.00 35.00 ? 431 GLY A CA 1 +ATOM 3233 C C . GLY A 1 413 ? 58.574 28.559 -21.102 1.00 36.05 ? 431 GLY A C 1 +ATOM 3234 O O . GLY A 1 413 ? 58.278 28.657 -22.293 1.00 35.93 ? 431 GLY A O 1 +ATOM 3235 N N . LYS A 1 414 ? 59.564 27.796 -20.650 1.00 35.17 ? 432 LYS A N 1 +ATOM 3236 C CA . LYS A 1 414 ? 60.457 27.053 -21.525 1.00 35.03 ? 432 LYS A CA 1 +ATOM 3237 C C . LYS A 1 414 ? 59.841 25.864 -22.226 1.00 32.69 ? 432 LYS A C 1 +ATOM 3238 O O . LYS A 1 414 ? 60.429 25.332 -23.160 1.00 32.27 ? 432 LYS A O 1 +ATOM 3239 C CB . LYS A 1 414 ? 61.691 26.593 -20.731 1.00 38.38 ? 432 LYS A CB 1 +ATOM 3240 C CG . LYS A 1 414 ? 62.509 27.757 -20.166 1.00 43.31 ? 432 LYS A CG 1 +ATOM 3241 C CD . LYS A 1 414 ? 63.921 27.336 -19.780 1.00 47.67 ? 432 LYS A CD 1 +ATOM 3242 C CE . LYS A 1 414 ? 64.794 28.560 -19.521 1.00 50.25 ? 432 LYS A CE 1 +ATOM 3243 N NZ . LYS A 1 414 ? 66.248 28.220 -19.473 1.00 51.20 ? 432 LYS A NZ 1 +ATOM 3244 N N . ARG A 1 415 ? 58.664 25.435 -21.788 1.00 31.95 ? 433 ARG A N 1 +ATOM 3245 C CA . ARG A 1 415 ? 58.034 24.284 -22.413 1.00 32.29 ? 433 ARG A CA 1 +ATOM 3246 C C . ARG A 1 415 ? 56.727 24.600 -23.168 1.00 31.51 ? 433 ARG A C 1 +ATOM 3247 O O . ARG A 1 415 ? 55.972 23.690 -23.521 1.00 31.65 ? 433 ARG A O 1 +ATOM 3248 C CB . ARG A 1 415 ? 57.811 23.192 -21.355 1.00 33.89 ? 433 ARG A CB 1 +ATOM 3249 C CG . ARG A 1 415 ? 57.640 21.804 -21.934 1.00 30.56 ? 433 ARG A CG 1 +ATOM 3250 C CD . ARG A 1 415 ? 58.608 20.805 -21.313 1.00 31.96 ? 433 ARG A CD 1 +ATOM 3251 N NE . ARG A 1 415 ? 58.601 19.564 -22.085 1.00 31.60 ? 433 ARG A NE 1 +ATOM 3252 C CZ . ARG A 1 415 ? 59.375 18.509 -21.863 1.00 30.45 ? 433 ARG A CZ 1 +ATOM 3253 N NH1 . ARG A 1 415 ? 59.259 17.447 -22.650 1.00 25.43 ? 433 ARG A NH1 1 +ATOM 3254 N NH2 . ARG A 1 415 ? 60.259 18.514 -20.871 1.00 31.89 ? 433 ARG A NH2 1 +ATOM 3255 N N . ILE A 1 416 ? 56.486 25.882 -23.443 1.00 29.57 ? 434 ILE A N 1 +ATOM 3256 C CA . ILE A 1 416 ? 55.299 26.335 -24.183 1.00 26.25 ? 434 ILE A CA 1 +ATOM 3257 C C . ILE A 1 416 ? 55.149 25.539 -25.491 1.00 27.06 ? 434 ILE A C 1 +ATOM 3258 O O . ILE A 1 416 ? 56.147 25.112 -26.063 1.00 28.67 ? 434 ILE A O 1 +ATOM 3259 C CB . ILE A 1 416 ? 55.406 27.876 -24.478 1.00 27.05 ? 434 ILE A CB 1 +ATOM 3260 C CG1 . ILE A 1 416 ? 54.095 28.408 -25.063 1.00 29.60 ? 434 ILE A CG1 1 +ATOM 3261 C CG2 . ILE A 1 416 ? 56.587 28.174 -25.433 1.00 29.39 ? 434 ILE A CG2 1 +ATOM 3262 C CD1 . ILE A 1 416 ? 54.047 29.929 -25.173 1.00 31.97 ? 434 ILE A CD1 1 +ATOM 3263 N N . CYS A 1 417 ? 53.910 25.319 -25.939 1.00 27.20 ? 435 CYS A N 1 +ATOM 3264 C CA . CYS A 1 417 ? 53.625 24.589 -27.185 1.00 28.53 ? 435 CYS A CA 1 +ATOM 3265 C C . CYS A 1 417 ? 54.688 24.792 -28.266 1.00 30.83 ? 435 CYS A C 1 +ATOM 3266 O O . CYS A 1 417 ? 54.955 25.928 -28.671 1.00 31.65 ? 435 CYS A O 1 +ATOM 3267 C CB . CYS A 1 417 ? 52.273 25.026 -27.773 1.00 27.10 ? 435 CYS A CB 1 +ATOM 3268 S SG . CYS A 1 417 ? 51.802 24.161 -29.309 1.00 30.61 ? 435 CYS A SG 1 +ATOM 3269 N N . ALA A 1 418 ? 55.271 23.687 -28.728 1.00 31.22 ? 436 ALA A N 1 +ATOM 3270 C CA . ALA A 1 418 ? 56.298 23.699 -29.766 1.00 30.04 ? 436 ALA A CA 1 +ATOM 3271 C C . ALA A 1 418 ? 55.723 23.960 -31.165 1.00 30.17 ? 436 ALA A C 1 +ATOM 3272 O O . ALA A 1 418 ? 56.463 24.091 -32.131 1.00 29.84 ? 436 ALA A O 1 +ATOM 3273 C CB . ALA A 1 418 ? 57.048 22.381 -29.760 1.00 29.63 ? 436 ALA A CB 1 +ATOM 3274 N N . GLY A 1 419 ? 54.404 24.023 -31.273 1.00 28.55 ? 437 GLY A N 1 +ATOM 3275 C CA . GLY A 1 419 ? 53.797 24.277 -32.562 1.00 28.83 ? 437 GLY A CA 1 +ATOM 3276 C C . GLY A 1 419 ? 52.773 25.377 -32.471 1.00 27.19 ? 437 GLY A C 1 +ATOM 3277 O O . GLY A 1 419 ? 51.801 25.367 -33.215 1.00 30.48 ? 437 GLY A O 1 +ATOM 3278 N N . GLU A 1 420 ? 52.997 26.320 -31.560 1.00 27.15 ? 438 GLU A N 1 +ATOM 3279 C CA . GLU A 1 420 ? 52.085 27.430 -31.332 1.00 30.33 ? 438 GLU A CA 1 +ATOM 3280 C C . GLU A 1 420 ? 51.840 28.305 -32.580 1.00 31.14 ? 438 GLU A C 1 +ATOM 3281 O O . GLU A 1 420 ? 50.703 28.707 -32.842 1.00 28.60 ? 438 GLU A O 1 +ATOM 3282 C CB . GLU A 1 420 ? 52.606 28.307 -30.188 1.00 33.01 ? 438 GLU A CB 1 +ATOM 3283 C CG . GLU A 1 420 ? 51.743 29.548 -29.957 1.00 43.29 ? 438 GLU A CG 1 +ATOM 3284 C CD . GLU A 1 420 ? 52.317 30.525 -28.955 1.00 47.75 ? 438 GLU A CD 1 +ATOM 3285 O OE1 . GLU A 1 420 ? 51.674 31.577 -28.746 1.00 54.19 ? 438 GLU A OE1 1 +ATOM 3286 O OE2 . GLU A 1 420 ? 53.397 30.259 -28.381 1.00 49.73 ? 438 GLU A OE2 1 +ATOM 3287 N N . GLY A 1 421 ? 52.909 28.609 -33.318 1.00 30.44 ? 439 GLY A N 1 +ATOM 3288 C CA . GLY A 1 421 ? 52.792 29.426 -34.514 1.00 30.28 ? 439 GLY A CA 1 +ATOM 3289 C C . GLY A 1 421 ? 51.927 28.726 -35.545 1.00 31.25 ? 439 GLY A C 1 +ATOM 3290 O O . GLY A 1 421 ? 51.044 29.341 -36.144 1.00 30.52 ? 439 GLY A O 1 +ATOM 3291 N N . LEU A 1 422 ? 52.175 27.436 -35.743 1.00 29.16 ? 440 LEU A N 1 +ATOM 3292 C CA . LEU A 1 422 ? 51.400 26.657 -36.692 1.00 32.04 ? 440 LEU A CA 1 +ATOM 3293 C C . LEU A 1 422 ? 49.925 26.565 -36.251 1.00 34.49 ? 440 LEU A C 1 +ATOM 3294 O O . LEU A 1 422 ? 49.013 26.664 -37.079 1.00 36.65 ? 440 LEU A O 1 +ATOM 3295 C CB . LEU A 1 422 ? 52.002 25.252 -36.824 1.00 28.81 ? 440 LEU A CB 1 +ATOM 3296 C CG . LEU A 1 422 ? 51.280 24.232 -37.709 1.00 31.52 ? 440 LEU A CG 1 +ATOM 3297 C CD1 . LEU A 1 422 ? 51.146 24.768 -39.135 1.00 32.50 ? 440 LEU A CD1 1 +ATOM 3298 C CD2 . LEU A 1 422 ? 52.053 22.936 -37.714 1.00 27.26 ? 440 LEU A CD2 1 +ATOM 3299 N N . ALA A 1 423 ? 49.704 26.393 -34.949 1.00 31.53 ? 441 ALA A N 1 +ATOM 3300 C CA . ALA A 1 423 ? 48.358 26.274 -34.399 1.00 31.30 ? 441 ALA A CA 1 +ATOM 3301 C C . ALA A 1 423 ? 47.547 27.536 -34.662 1.00 30.54 ? 441 ALA A C 1 +ATOM 3302 O O . ALA A 1 423 ? 46.429 27.460 -35.173 1.00 28.32 ? 441 ALA A O 1 +ATOM 3303 C CB . ALA A 1 423 ? 48.424 26.002 -32.907 1.00 29.89 ? 441 ALA A CB 1 +ATOM 3304 N N . ARG A 1 424 ? 48.120 28.684 -34.306 1.00 30.62 ? 442 ARG A N 1 +ATOM 3305 C CA . ARG A 1 424 ? 47.478 29.984 -34.511 1.00 33.79 ? 442 ARG A CA 1 +ATOM 3306 C C . ARG A 1 424 ? 47.241 30.288 -35.984 1.00 32.20 ? 442 ARG A C 1 +ATOM 3307 O O . ARG A 1 424 ? 46.290 30.984 -36.332 1.00 33.15 ? 442 ARG A O 1 +ATOM 3308 C CB . ARG A 1 424 ? 48.328 31.097 -33.901 1.00 35.36 ? 442 ARG A CB 1 +ATOM 3309 C CG . ARG A 1 424 ? 48.436 31.015 -32.390 1.00 38.47 ? 442 ARG A CG 1 +ATOM 3310 C CD . ARG A 1 424 ? 48.306 32.388 -31.771 1.00 43.62 ? 442 ARG A CD 1 +ATOM 3311 N NE . ARG A 1 424 ? 49.478 33.211 -32.029 1.00 47.13 ? 442 ARG A NE 1 +ATOM 3312 C CZ . ARG A 1 424 ? 49.454 34.503 -32.352 1.00 47.55 ? 442 ARG A CZ 1 +ATOM 3313 N NH1 . ARG A 1 424 ? 48.307 35.161 -32.474 1.00 46.14 ? 442 ARG A NH1 1 +ATOM 3314 N NH2 . ARG A 1 424 ? 50.598 35.142 -32.544 1.00 50.29 ? 442 ARG A NH2 1 +ATOM 3315 N N . MET A 1 425 ? 48.116 29.759 -36.834 1.00 32.19 ? 443 MET A N 1 +ATOM 3316 C CA . MET A 1 425 ? 48.044 29.937 -38.281 1.00 33.69 ? 443 MET A CA 1 +ATOM 3317 C C . MET A 1 425 ? 46.879 29.103 -38.825 1.00 33.20 ? 443 MET A C 1 +ATOM 3318 O O . MET A 1 425 ? 46.089 29.576 -39.651 1.00 30.06 ? 443 MET A O 1 +ATOM 3319 C CB . MET A 1 425 ? 49.375 29.491 -38.910 1.00 35.37 ? 443 MET A CB 1 +ATOM 3320 C CG . MET A 1 425 ? 49.491 29.626 -40.419 1.00 39.45 ? 443 MET A CG 1 +ATOM 3321 S SD . MET A 1 425 ? 51.108 29.065 -41.042 1.00 44.67 ? 443 MET A SD 1 +ATOM 3322 C CE . MET A 1 425 ? 52.112 30.491 -40.675 1.00 42.04 ? 443 MET A CE 1 +ATOM 3323 N N . GLU A 1 426 ? 46.779 27.861 -38.357 1.00 32.02 ? 444 GLU A N 1 +ATOM 3324 C CA . GLU A 1 426 ? 45.706 26.973 -38.786 1.00 31.37 ? 444 GLU A CA 1 +ATOM 3325 C C . GLU A 1 426 ? 44.356 27.524 -38.365 1.00 30.01 ? 444 GLU A C 1 +ATOM 3326 O O . GLU A 1 426 ? 43.395 27.459 -39.125 1.00 28.66 ? 444 GLU A O 1 +ATOM 3327 C CB . GLU A 1 426 ? 45.880 25.571 -38.202 1.00 32.93 ? 444 GLU A CB 1 +ATOM 3328 C CG . GLU A 1 426 ? 46.965 24.738 -38.869 1.00 32.77 ? 444 GLU A CG 1 +ATOM 3329 C CD . GLU A 1 426 ? 46.924 23.288 -38.422 1.00 34.87 ? 444 GLU A CD 1 +ATOM 3330 O OE1 . GLU A 1 426 ? 45.980 22.569 -38.808 1.00 35.93 ? 444 GLU A OE1 1 +ATOM 3331 O OE2 . GLU A 1 426 ? 47.829 22.869 -37.675 1.00 36.69 ? 444 GLU A OE2 1 +ATOM 3332 N N . LEU A 1 427 ? 44.289 28.084 -37.162 1.00 28.37 ? 445 LEU A N 1 +ATOM 3333 C CA . LEU A 1 427 ? 43.035 28.629 -36.677 1.00 29.23 ? 445 LEU A CA 1 +ATOM 3334 C C . LEU A 1 427 ? 42.605 29.853 -37.485 1.00 30.69 ? 445 LEU A C 1 +ATOM 3335 O O . LEU A 1 427 ? 41.457 29.929 -37.942 1.00 27.50 ? 445 LEU A O 1 +ATOM 3336 C CB . LEU A 1 427 ? 43.143 28.989 -35.193 1.00 27.74 ? 445 LEU A CB 1 +ATOM 3337 C CG . LEU A 1 427 ? 43.396 27.832 -34.201 1.00 28.89 ? 445 LEU A CG 1 +ATOM 3338 C CD1 . LEU A 1 427 ? 43.495 28.413 -32.807 1.00 25.10 ? 445 LEU A CD1 1 +ATOM 3339 C CD2 . LEU A 1 427 ? 42.276 26.775 -34.268 1.00 27.47 ? 445 LEU A CD2 1 +ATOM 3340 N N . PHE A 1 428 ? 43.526 30.800 -37.664 1.00 31.17 ? 446 PHE A N 1 +ATOM 3341 C CA . PHE A 1 428 ? 43.213 32.014 -38.398 1.00 32.96 ? 446 PHE A CA 1 +ATOM 3342 C C . PHE A 1 428 ? 42.807 31.712 -39.831 1.00 31.83 ? 446 PHE A C 1 +ATOM 3343 O O . PHE A 1 428 ? 41.770 32.175 -40.286 1.00 32.01 ? 446 PHE A O 1 +ATOM 3344 C CB . PHE A 1 428 ? 44.391 32.994 -38.381 1.00 33.36 ? 446 PHE A CB 1 +ATOM 3345 C CG . PHE A 1 428 ? 44.110 34.284 -39.112 1.00 34.81 ? 446 PHE A CG 1 +ATOM 3346 C CD1 . PHE A 1 428 ? 44.523 34.457 -40.442 1.00 33.22 ? 446 PHE A CD1 1 +ATOM 3347 C CD2 . PHE A 1 428 ? 43.389 35.316 -38.483 1.00 34.81 ? 446 PHE A CD2 1 +ATOM 3348 C CE1 . PHE A 1 428 ? 44.222 35.644 -41.144 1.00 35.20 ? 446 PHE A CE1 1 +ATOM 3349 C CE2 . PHE A 1 428 ? 43.081 36.507 -39.170 1.00 33.77 ? 446 PHE A CE2 1 +ATOM 3350 C CZ . PHE A 1 428 ? 43.500 36.671 -40.505 1.00 33.58 ? 446 PHE A CZ 1 +ATOM 3351 N N . LEU A 1 429 ? 43.618 30.919 -40.521 1.00 31.64 ? 447 LEU A N 1 +ATOM 3352 C CA . LEU A 1 429 ? 43.354 30.564 -41.902 1.00 32.43 ? 447 LEU A CA 1 +ATOM 3353 C C . LEU A 1 429 ? 42.147 29.655 -42.128 1.00 34.51 ? 447 LEU A C 1 +ATOM 3354 O O . LEU A 1 429 ? 41.384 29.888 -43.061 1.00 36.38 ? 447 LEU A O 1 +ATOM 3355 C CB . LEU A 1 429 ? 44.607 29.945 -42.537 1.00 30.60 ? 447 LEU A CB 1 +ATOM 3356 C CG . LEU A 1 429 ? 45.825 30.863 -42.747 1.00 31.39 ? 447 LEU A CG 1 +ATOM 3357 C CD1 . LEU A 1 429 ? 46.990 30.050 -43.295 1.00 27.45 ? 447 LEU A CD1 1 +ATOM 3358 C CD2 . LEU A 1 429 ? 45.480 31.999 -43.723 1.00 32.90 ? 447 LEU A CD2 1 +ATOM 3359 N N . PHE A 1 430 ? 41.960 28.615 -41.315 1.00 34.03 ? 448 PHE A N 1 +ATOM 3360 C CA . PHE A 1 430 ? 40.798 27.755 -41.526 1.00 33.62 ? 448 PHE A CA 1 +ATOM 3361 C C . PHE A 1 430 ? 39.503 28.496 -41.247 1.00 31.58 ? 448 PHE A C 1 +ATOM 3362 O O . PHE A 1 430 ? 38.547 28.353 -41.994 1.00 33.16 ? 448 PHE A O 1 +ATOM 3363 C CB . PHE A 1 430 ? 40.826 26.489 -40.660 1.00 33.94 ? 448 PHE A CB 1 +ATOM 3364 C CG . PHE A 1 430 ? 41.833 25.466 -41.092 1.00 33.87 ? 448 PHE A CG 1 +ATOM 3365 C CD1 . PHE A 1 430 ? 42.071 25.210 -42.449 1.00 35.62 ? 448 PHE A CD1 1 +ATOM 3366 C CD2 . PHE A 1 430 ? 42.541 24.731 -40.133 1.00 32.05 ? 448 PHE A CD2 1 +ATOM 3367 C CE1 . PHE A 1 430 ? 43.011 24.228 -42.842 1.00 36.43 ? 448 PHE A CE1 1 +ATOM 3368 C CE2 . PHE A 1 430 ? 43.482 23.748 -40.514 1.00 30.96 ? 448 PHE A CE2 1 +ATOM 3369 C CZ . PHE A 1 430 ? 43.716 23.496 -41.862 1.00 32.48 ? 448 PHE A CZ 1 +ATOM 3370 N N . LEU A 1 431 ? 39.470 29.288 -40.182 1.00 31.84 ? 449 LEU A N 1 +ATOM 3371 C CA . LEU A 1 431 ? 38.256 30.014 -39.845 1.00 32.06 ? 449 LEU A CA 1 +ATOM 3372 C C . LEU A 1 431 ? 37.927 31.134 -40.838 1.00 33.75 ? 449 LEU A C 1 +ATOM 3373 O O . LEU A 1 431 ? 36.763 31.316 -41.187 1.00 32.51 ? 449 LEU A O 1 +ATOM 3374 C CB . LEU A 1 431 ? 38.334 30.559 -38.412 1.00 30.62 ? 449 LEU A CB 1 +ATOM 3375 C CG . LEU A 1 431 ? 38.316 29.507 -37.278 1.00 33.21 ? 449 LEU A CG 1 +ATOM 3376 C CD1 . LEU A 1 431 ? 38.549 30.203 -35.934 1.00 28.69 ? 449 LEU A CD1 1 +ATOM 3377 C CD2 . LEU A 1 431 ? 36.985 28.744 -37.258 1.00 30.03 ? 449 LEU A CD2 1 +ATOM 3378 N N . THR A 1 432 ? 38.936 31.874 -41.298 1.00 33.51 ? 450 THR A N 1 +ATOM 3379 C CA . THR A 1 432 ? 38.691 32.960 -42.254 1.00 32.95 ? 450 THR A CA 1 +ATOM 3380 C C . THR A 1 432 ? 38.304 32.419 -43.627 1.00 32.24 ? 450 THR A C 1 +ATOM 3381 O O . THR A 1 432 ? 37.421 32.960 -44.275 1.00 34.40 ? 450 THR A O 1 +ATOM 3382 C CB . THR A 1 432 ? 39.913 33.888 -42.420 1.00 29.83 ? 450 THR A CB 1 +ATOM 3383 O OG1 . THR A 1 432 ? 41.071 33.110 -42.725 1.00 33.06 ? 450 THR A OG1 1 +ATOM 3384 C CG2 . THR A 1 432 ? 40.153 34.683 -41.172 1.00 28.89 ? 450 THR A CG2 1 +ATOM 3385 N N . THR A 1 433 ? 38.951 31.346 -44.061 1.00 31.88 ? 451 THR A N 1 +ATOM 3386 C CA . THR A 1 433 ? 38.649 30.758 -45.358 1.00 33.38 ? 451 THR A CA 1 +ATOM 3387 C C . THR A 1 433 ? 37.255 30.127 -45.359 1.00 34.98 ? 451 THR A C 1 +ATOM 3388 O O . THR A 1 433 ? 36.545 30.178 -46.369 1.00 35.35 ? 451 THR A O 1 +ATOM 3389 C CB . THR A 1 433 ? 39.699 29.707 -45.741 1.00 31.73 ? 451 THR A CB 1 +ATOM 3390 O OG1 . THR A 1 433 ? 41.002 30.287 -45.619 1.00 34.46 ? 451 THR A OG1 1 +ATOM 3391 C CG2 . THR A 1 433 ? 39.516 29.256 -47.179 1.00 32.92 ? 451 THR A CG2 1 +ATOM 3392 N N . ILE A 1 434 ? 36.866 29.523 -44.237 1.00 34.18 ? 452 ILE A N 1 +ATOM 3393 C CA . ILE A 1 434 ? 35.544 28.929 -44.143 1.00 33.00 ? 452 ILE A CA 1 +ATOM 3394 C C . ILE A 1 434 ? 34.500 30.051 -44.199 1.00 33.13 ? 452 ILE A C 1 +ATOM 3395 O O . ILE A 1 434 ? 33.581 29.991 -45.010 1.00 31.55 ? 452 ILE A O 1 +ATOM 3396 C CB . ILE A 1 434 ? 35.363 28.114 -42.822 1.00 33.69 ? 452 ILE A CB 1 +ATOM 3397 C CG1 . ILE A 1 434 ? 36.101 26.778 -42.929 1.00 33.27 ? 452 ILE A CG1 1 +ATOM 3398 C CG2 . ILE A 1 434 ? 33.868 27.863 -42.538 1.00 33.33 ? 452 ILE A CG2 1 +ATOM 3399 C CD1 . ILE A 1 434 ? 36.172 26.001 -41.614 1.00 34.26 ? 452 ILE A CD1 1 +ATOM 3400 N N . LEU A 1 435 ? 34.665 31.074 -43.355 1.00 32.57 ? 453 LEU A N 1 +ATOM 3401 C CA . LEU A 1 435 ? 33.713 32.181 -43.280 1.00 33.54 ? 453 LEU A CA 1 +ATOM 3402 C C . LEU A 1 435 ? 33.670 33.082 -44.505 1.00 37.36 ? 453 LEU A C 1 +ATOM 3403 O O . LEU A 1 435 ? 32.728 33.854 -44.669 1.00 38.81 ? 453 LEU A O 1 +ATOM 3404 C CB . LEU A 1 435 ? 33.959 33.020 -42.016 1.00 29.81 ? 453 LEU A CB 1 +ATOM 3405 C CG . LEU A 1 435 ? 33.718 32.302 -40.675 1.00 30.64 ? 453 LEU A CG 1 +ATOM 3406 C CD1 . LEU A 1 435 ? 33.942 33.264 -39.514 1.00 23.86 ? 453 LEU A CD1 1 +ATOM 3407 C CD2 . LEU A 1 435 ? 32.296 31.743 -40.630 1.00 30.07 ? 453 LEU A CD2 1 +ATOM 3408 N N . GLN A 1 436 ? 34.687 32.979 -45.358 1.00 40.54 ? 454 GLN A N 1 +ATOM 3409 C CA . GLN A 1 436 ? 34.755 33.761 -46.589 1.00 41.71 ? 454 GLN A CA 1 +ATOM 3410 C C . GLN A 1 436 ? 33.838 33.100 -47.619 1.00 42.12 ? 454 GLN A C 1 +ATOM 3411 O O . GLN A 1 436 ? 33.252 33.769 -48.467 1.00 42.70 ? 454 GLN A O 1 +ATOM 3412 C CB . GLN A 1 436 ? 36.197 33.782 -47.124 1.00 41.55 ? 454 GLN A CB 1 +ATOM 3413 C CG . GLN A 1 436 ? 36.372 34.496 -48.467 1.00 43.09 ? 454 GLN A CG 1 +ATOM 3414 C CD . GLN A 1 436 ? 37.794 34.420 -49.013 1.00 43.82 ? 454 GLN A CD 1 +ATOM 3415 O OE1 . GLN A 1 436 ? 38.321 33.338 -49.286 1.00 41.22 ? 454 GLN A OE1 1 +ATOM 3416 N NE2 . GLN A 1 436 ? 38.419 35.579 -49.175 1.00 44.60 ? 454 GLN A NE2 1 +ATOM 3417 N N . ASN A 1 437 ? 33.707 31.783 -47.511 1.00 42.93 ? 455 ASN A N 1 +ATOM 3418 C CA . ASN A 1 437 ? 32.913 30.987 -48.439 1.00 43.69 ? 455 ASN A CA 1 +ATOM 3419 C C . ASN A 1 437 ? 31.561 30.469 -47.930 1.00 43.57 ? 455 ASN A C 1 +ATOM 3420 O O . ASN A 1 437 ? 30.737 30.008 -48.726 1.00 43.62 ? 455 ASN A O 1 +ATOM 3421 C CB . ASN A 1 437 ? 33.754 29.794 -48.899 1.00 44.13 ? 455 ASN A CB 1 +ATOM 3422 C CG . ASN A 1 437 ? 34.942 30.208 -49.745 1.00 47.58 ? 455 ASN A CG 1 +ATOM 3423 O OD1 . ASN A 1 437 ? 34.795 30.520 -50.928 1.00 48.80 ? 455 ASN A OD1 1 +ATOM 3424 N ND2 . ASN A 1 437 ? 36.128 30.221 -49.142 1.00 46.73 ? 455 ASN A ND2 1 +ATOM 3425 N N . PHE A 1 438 ? 31.334 30.538 -46.620 1.00 42.17 ? 456 PHE A N 1 +ATOM 3426 C CA . PHE A 1 438 ? 30.098 30.022 -46.039 1.00 40.79 ? 456 PHE A CA 1 +ATOM 3427 C C . PHE A 1 438 ? 29.521 30.868 -44.925 1.00 40.67 ? 456 PHE A C 1 +ATOM 3428 O O . PHE A 1 438 ? 30.226 31.644 -44.274 1.00 40.75 ? 456 PHE A O 1 +ATOM 3429 C CB . PHE A 1 438 ? 30.328 28.630 -45.435 1.00 41.20 ? 456 PHE A CB 1 +ATOM 3430 C CG . PHE A 1 438 ? 30.784 27.589 -46.412 1.00 41.12 ? 456 PHE A CG 1 +ATOM 3431 C CD1 . PHE A 1 438 ? 29.868 26.952 -47.259 1.00 41.21 ? 456 PHE A CD1 1 +ATOM 3432 C CD2 . PHE A 1 438 ? 32.140 27.223 -46.470 1.00 39.93 ? 456 PHE A CD2 1 +ATOM 3433 C CE1 . PHE A 1 438 ? 30.294 25.947 -48.164 1.00 44.46 ? 456 PHE A CE1 1 +ATOM 3434 C CE2 . PHE A 1 438 ? 32.587 26.227 -47.360 1.00 42.50 ? 456 PHE A CE2 1 +ATOM 3435 C CZ . PHE A 1 438 ? 31.664 25.583 -48.213 1.00 43.70 ? 456 PHE A CZ 1 +ATOM 3436 N N . ASN A 1 439 ? 28.218 30.703 -44.725 1.00 39.95 ? 457 ASN A N 1 +ATOM 3437 C CA . ASN A 1 439 ? 27.504 31.332 -43.624 1.00 39.55 ? 457 ASN A CA 1 +ATOM 3438 C C . ASN A 1 439 ? 27.179 30.100 -42.782 1.00 38.20 ? 457 ASN A C 1 +ATOM 3439 O O . ASN A 1 439 ? 27.158 28.980 -43.309 1.00 35.71 ? 457 ASN A O 1 +ATOM 3440 C CB . ASN A 1 439 ? 26.226 32.037 -44.093 1.00 41.54 ? 457 ASN A CB 1 +ATOM 3441 C CG . ASN A 1 439 ? 26.511 33.378 -44.764 1.00 44.47 ? 457 ASN A CG 1 +ATOM 3442 O OD1 . ASN A 1 439 ? 27.336 34.163 -44.287 1.00 46.40 ? 457 ASN A OD1 1 +ATOM 3443 N ND2 . ASN A 1 439 ? 25.824 33.648 -45.868 1.00 44.54 ? 457 ASN A ND2 1 +ATOM 3444 N N . LEU A 1 440 ? 26.950 30.289 -41.489 1.00 37.26 ? 458 LEU A N 1 +ATOM 3445 C CA . LEU A 1 440 ? 26.671 29.163 -40.598 1.00 40.05 ? 458 LEU A CA 1 +ATOM 3446 C C . LEU A 1 440 ? 25.222 29.132 -40.146 1.00 40.37 ? 458 LEU A C 1 +ATOM 3447 O O . LEU A 1 440 ? 24.740 30.060 -39.491 1.00 39.90 ? 458 LEU A O 1 +ATOM 3448 C CB . LEU A 1 440 ? 27.610 29.215 -39.377 1.00 36.18 ? 458 LEU A CB 1 +ATOM 3449 C CG . LEU A 1 440 ? 29.104 29.394 -39.692 1.00 36.15 ? 458 LEU A CG 1 +ATOM 3450 C CD1 . LEU A 1 440 ? 29.892 29.525 -38.389 1.00 34.19 ? 458 LEU A CD1 1 +ATOM 3451 C CD2 . LEU A 1 440 ? 29.617 28.213 -40.523 1.00 35.24 ? 458 LEU A CD2 1 +ATOM 3452 N N . LYS A 1 441 ? 24.540 28.045 -40.487 1.00 43.79 ? 459 LYS A N 1 +ATOM 3453 C CA . LYS A 1 441 ? 23.132 27.878 -40.142 1.00 49.26 ? 459 LYS A CA 1 +ATOM 3454 C C . LYS A 1 441 ? 22.900 26.739 -39.155 1.00 50.72 ? 459 LYS A C 1 +ATOM 3455 O O . LYS A 1 441 ? 23.451 25.650 -39.300 1.00 47.94 ? 459 LYS A O 1 +ATOM 3456 C CB . LYS A 1 441 ? 22.314 27.619 -41.411 1.00 50.12 ? 459 LYS A CB 1 +ATOM 3457 C CG . LYS A 1 441 ? 20.807 27.529 -41.199 1.00 55.12 ? 459 LYS A CG 1 +ATOM 3458 C CD . LYS A 1 441 ? 20.096 26.981 -42.440 1.00 58.16 ? 459 LYS A CD 1 +ATOM 3459 C CE . LYS A 1 441 ? 18.585 27.043 -42.296 1.00 60.86 ? 459 LYS A CE 1 +ATOM 3460 N NZ . LYS A 1 441 ? 18.102 28.447 -42.110 1.00 61.36 ? 459 LYS A NZ 1 +ATOM 3461 N N . SER A 1 442 ? 22.072 27.010 -38.154 1.00 55.72 ? 460 SER A N 1 +ATOM 3462 C CA . SER A 1 442 ? 21.723 26.019 -37.147 1.00 60.65 ? 460 SER A CA 1 +ATOM 3463 C C . SER A 1 442 ? 20.471 25.287 -37.611 1.00 64.03 ? 460 SER A C 1 +ATOM 3464 O O . SER A 1 442 ? 19.634 25.861 -38.314 1.00 64.50 ? 460 SER A O 1 +ATOM 3465 C CB . SER A 1 442 ? 21.442 26.704 -35.811 1.00 60.70 ? 460 SER A CB 1 +ATOM 3466 O OG . SER A 1 442 ? 20.950 25.778 -34.858 1.00 64.71 ? 460 SER A OG 1 +ATOM 3467 N N . VAL A 1 443 ? 20.346 24.022 -37.223 1.00 67.45 ? 461 VAL A N 1 +ATOM 3468 C CA . VAL A 1 443 ? 19.177 23.228 -37.589 1.00 71.52 ? 461 VAL A CA 1 +ATOM 3469 C C . VAL A 1 443 ? 17.990 23.720 -36.751 1.00 73.25 ? 461 VAL A C 1 +ATOM 3470 O O . VAL A 1 443 ? 16.948 24.108 -37.289 1.00 73.90 ? 461 VAL A O 1 +ATOM 3471 C CB . VAL A 1 443 ? 19.410 21.718 -37.312 1.00 71.82 ? 461 VAL A CB 1 +ATOM 3472 C CG1 . VAL A 1 443 ? 18.208 20.908 -37.781 1.00 73.35 ? 461 VAL A CG1 1 +ATOM 3473 C CG2 . VAL A 1 443 ? 20.674 21.244 -38.017 1.00 72.45 ? 461 VAL A CG2 1 +ATOM 3474 N N . ASP A 1 444 ? 18.174 23.714 -35.432 1.00 74.65 ? 462 ASP A N 1 +ATOM 3475 C CA . ASP A 1 444 ? 17.150 24.146 -34.489 1.00 75.69 ? 462 ASP A CA 1 +ATOM 3476 C C . ASP A 1 444 ? 17.349 25.624 -34.131 1.00 75.45 ? 462 ASP A C 1 +ATOM 3477 O O . ASP A 1 444 ? 18.110 26.336 -34.791 1.00 75.64 ? 462 ASP A O 1 +ATOM 3478 C CB . ASP A 1 444 ? 17.233 23.281 -33.226 1.00 77.99 ? 462 ASP A CB 1 +ATOM 3479 C CG . ASP A 1 444 ? 15.871 22.860 -32.711 1.00 80.96 ? 462 ASP A CG 1 +ATOM 3480 O OD1 . ASP A 1 444 ? 15.060 23.744 -32.357 1.00 81.87 ? 462 ASP A OD1 1 +ATOM 3481 O OD2 . ASP A 1 444 ? 15.611 21.637 -32.661 1.00 82.48 ? 462 ASP A OD2 1 +ATOM 3482 N N . ASP A 1 445 ? 16.658 26.074 -33.087 1.00 74.97 ? 463 ASP A N 1 +ATOM 3483 C CA . ASP A 1 445 ? 16.747 27.451 -32.611 1.00 73.37 ? 463 ASP A CA 1 +ATOM 3484 C C . ASP A 1 445 ? 18.091 27.626 -31.901 1.00 71.97 ? 463 ASP A C 1 +ATOM 3485 O O . ASP A 1 445 ? 18.570 26.708 -31.231 1.00 71.40 ? 463 ASP A O 1 +ATOM 3486 C CB . ASP A 1 445 ? 15.590 27.731 -31.644 1.00 74.31 ? 463 ASP A CB 1 +ATOM 3487 C CG . ASP A 1 445 ? 15.371 29.214 -31.398 1.00 75.48 ? 463 ASP A CG 1 +ATOM 3488 O OD1 . ASP A 1 445 ? 16.248 29.865 -30.789 1.00 74.60 ? 463 ASP A OD1 1 +ATOM 3489 O OD2 . ASP A 1 445 ? 14.310 29.729 -31.818 1.00 77.46 ? 463 ASP A OD2 1 +ATOM 3490 N N . LEU A 1 446 ? 18.695 28.801 -32.053 1.00 70.36 ? 464 LEU A N 1 +ATOM 3491 C CA . LEU A 1 446 ? 19.988 29.090 -31.435 1.00 69.37 ? 464 LEU A CA 1 +ATOM 3492 C C . LEU A 1 446 ? 19.960 29.094 -29.910 1.00 68.42 ? 464 LEU A C 1 +ATOM 3493 O O . LEU A 1 446 ? 20.988 28.878 -29.274 1.00 68.45 ? 464 LEU A O 1 +ATOM 3494 C CB . LEU A 1 446 ? 20.533 30.432 -31.941 1.00 68.40 ? 464 LEU A CB 1 +ATOM 3495 C CG . LEU A 1 446 ? 20.975 30.501 -33.408 1.00 68.10 ? 464 LEU A CG 1 +ATOM 3496 C CD1 . LEU A 1 446 ? 21.336 31.934 -33.769 1.00 67.70 ? 464 LEU A CD1 1 +ATOM 3497 C CD2 . LEU A 1 446 ? 22.164 29.581 -33.636 1.00 67.16 ? 464 LEU A CD2 1 +ATOM 3498 N N . LYS A 1 447 ? 18.786 29.334 -29.331 1.00 68.19 ? 465 LYS A N 1 +ATOM 3499 C CA . LYS A 1 447 ? 18.615 29.362 -27.879 1.00 68.08 ? 465 LYS A CA 1 +ATOM 3500 C C . LYS A 1 447 ? 18.831 27.983 -27.242 1.00 67.08 ? 465 LYS A C 1 +ATOM 3501 O O . LYS A 1 447 ? 19.268 27.881 -26.095 1.00 66.99 ? 465 LYS A O 1 +ATOM 3502 C CB . LYS A 1 447 ? 17.213 29.881 -27.532 1.00 69.69 ? 465 LYS A CB 1 +ATOM 3503 C CG . LYS A 1 447 ? 16.906 29.967 -26.037 1.00 72.98 ? 465 LYS A CG 1 +ATOM 3504 C CD . LYS A 1 447 ? 17.795 30.987 -25.326 1.00 74.75 ? 465 LYS A CD 1 +ATOM 3505 C CE . LYS A 1 447 ? 17.640 30.901 -23.812 1.00 75.95 ? 465 LYS A CE 1 +ATOM 3506 N NZ . LYS A 1 447 ? 18.134 29.598 -23.272 1.00 76.49 ? 465 LYS A NZ 1 +ATOM 3507 N N . ASN A 1 448 ? 18.527 26.931 -27.994 1.00 66.05 ? 466 ASN A N 1 +ATOM 3508 C CA . ASN A 1 448 ? 18.677 25.558 -27.516 1.00 65.71 ? 466 ASN A CA 1 +ATOM 3509 C C . ASN A 1 448 ? 20.124 25.056 -27.572 1.00 64.42 ? 466 ASN A C 1 +ATOM 3510 O O . ASN A 1 448 ? 20.459 24.027 -26.977 1.00 63.72 ? 466 ASN A O 1 +ATOM 3511 C CB . ASN A 1 448 ? 17.784 24.626 -28.342 1.00 68.13 ? 466 ASN A CB 1 +ATOM 3512 C CG . ASN A 1 448 ? 16.299 24.862 -28.095 1.00 70.42 ? 466 ASN A CG 1 +ATOM 3513 O OD1 . ASN A 1 448 ? 15.792 25.973 -28.273 1.00 70.61 ? 466 ASN A OD1 1 +ATOM 3514 N ND2 . ASN A 1 448 ? 15.596 23.811 -27.684 1.00 71.07 ? 466 ASN A ND2 1 +ATOM 3515 N N . LEU A 1 449 ? 20.970 25.796 -28.283 1.00 61.64 ? 467 LEU A N 1 +ATOM 3516 C CA . LEU A 1 449 ? 22.375 25.450 -28.470 1.00 58.87 ? 467 LEU A CA 1 +ATOM 3517 C C . LEU A 1 449 ? 23.241 25.802 -27.256 1.00 57.41 ? 467 LEU A C 1 +ATOM 3518 O O . LEU A 1 449 ? 23.461 26.975 -26.959 1.00 58.26 ? 467 LEU A O 1 +ATOM 3519 C CB . LEU A 1 449 ? 22.885 26.176 -29.720 1.00 57.44 ? 467 LEU A CB 1 +ATOM 3520 C CG . LEU A 1 449 ? 24.092 25.680 -30.509 1.00 57.31 ? 467 LEU A CG 1 +ATOM 3521 C CD1 . LEU A 1 449 ? 23.828 24.289 -31.086 1.00 55.55 ? 467 LEU A CD1 1 +ATOM 3522 C CD2 . LEU A 1 449 ? 24.371 26.681 -31.625 1.00 55.86 ? 467 LEU A CD2 1 +ATOM 3523 N N . ASN A 1 450 ? 23.720 24.784 -26.547 1.00 56.12 ? 468 ASN A N 1 +ATOM 3524 C CA . ASN A 1 450 ? 24.571 25.007 -25.378 1.00 55.06 ? 468 ASN A CA 1 +ATOM 3525 C C . ASN A 1 450 ? 26.040 24.920 -25.788 1.00 51.92 ? 468 ASN A C 1 +ATOM 3526 O O . ASN A 1 450 ? 26.411 24.071 -26.600 1.00 51.86 ? 468 ASN A O 1 +ATOM 3527 C CB . ASN A 1 450 ? 24.259 23.981 -24.284 1.00 58.26 ? 468 ASN A CB 1 +ATOM 3528 C CG . ASN A 1 450 ? 25.219 24.069 -23.109 1.00 60.30 ? 468 ASN A CG 1 +ATOM 3529 O OD1 . ASN A 1 450 ? 26.280 23.436 -23.111 1.00 63.02 ? 468 ASN A OD1 1 +ATOM 3530 N ND2 . ASN A 1 450 ? 24.859 24.866 -22.107 1.00 59.49 ? 468 ASN A ND2 1 +ATOM 3531 N N . THR A 1 451 ? 26.869 25.803 -25.233 1.00 48.46 ? 469 THR A N 1 +ATOM 3532 C CA . THR A 1 451 ? 28.290 25.825 -25.573 1.00 45.71 ? 469 THR A CA 1 +ATOM 3533 C C . THR A 1 451 ? 29.243 25.428 -24.439 1.00 44.49 ? 469 THR A C 1 +ATOM 3534 O O . THR A 1 451 ? 30.451 25.386 -24.634 1.00 43.83 ? 469 THR A O 1 +ATOM 3535 C CB . THR A 1 451 ? 28.716 27.218 -26.099 1.00 43.47 ? 469 THR A CB 1 +ATOM 3536 O OG1 . THR A 1 451 ? 28.624 28.177 -25.041 1.00 42.61 ? 469 THR A OG1 1 +ATOM 3537 C CG2 . THR A 1 451 ? 27.820 27.658 -27.264 1.00 43.76 ? 469 THR A CG2 1 +ATOM 3538 N N . THR A 1 452 ? 28.709 25.143 -23.257 1.00 44.82 ? 470 THR A N 1 +ATOM 3539 C CA . THR A 1 452 ? 29.545 24.742 -22.126 1.00 44.55 ? 470 THR A CA 1 +ATOM 3540 C C . THR A 1 452 ? 30.197 23.390 -22.436 1.00 42.04 ? 470 THR A C 1 +ATOM 3541 O O . THR A 1 452 ? 29.558 22.499 -22.998 1.00 39.96 ? 470 THR A O 1 +ATOM 3542 C CB . THR A 1 452 ? 28.697 24.648 -20.831 1.00 47.26 ? 470 THR A CB 1 +ATOM 3543 O OG1 . THR A 1 452 ? 28.058 25.912 -20.596 1.00 50.96 ? 470 THR A OG1 1 +ATOM 3544 C CG2 . THR A 1 452 ? 29.574 24.304 -19.619 1.00 47.24 ? 470 THR A CG2 1 +ATOM 3545 N N . ALA A 1 453 ? 31.478 23.262 -22.097 1.00 41.98 ? 471 ALA A N 1 +ATOM 3546 C CA . ALA A 1 453 ? 32.228 22.034 -22.331 1.00 43.81 ? 471 ALA A CA 1 +ATOM 3547 C C . ALA A 1 453 ? 31.539 20.867 -21.620 1.00 46.42 ? 471 ALA A C 1 +ATOM 3548 O O . ALA A 1 453 ? 31.208 20.958 -20.434 1.00 43.66 ? 471 ALA A O 1 +ATOM 3549 C CB . ALA A 1 453 ? 33.653 22.194 -21.826 1.00 41.88 ? 471 ALA A CB 1 +ATOM 3550 N N . VAL A 1 454 ? 31.316 19.781 -22.356 1.00 50.04 ? 472 VAL A N 1 +ATOM 3551 C CA . VAL A 1 454 ? 30.644 18.612 -21.799 1.00 55.23 ? 472 VAL A CA 1 +ATOM 3552 C C . VAL A 1 454 ? 31.557 17.696 -21.004 1.00 58.04 ? 472 VAL A C 1 +ATOM 3553 O O . VAL A 1 454 ? 31.174 17.191 -19.943 1.00 58.92 ? 472 VAL A O 1 +ATOM 3554 C CB . VAL A 1 454 ? 29.924 17.755 -22.901 1.00 55.27 ? 472 VAL A CB 1 +ATOM 3555 C CG1 . VAL A 1 454 ? 28.703 18.498 -23.418 1.00 57.29 ? 472 VAL A CG1 1 +ATOM 3556 C CG2 . VAL A 1 454 ? 30.874 17.416 -24.047 1.00 55.01 ? 472 VAL A CG2 1 +ATOM 3557 N N . THR A 1 455 ? 32.767 17.499 -21.508 1.00 60.69 ? 473 THR A N 1 +ATOM 3558 C CA . THR A 1 455 ? 33.724 16.612 -20.869 1.00 64.09 ? 473 THR A CA 1 +ATOM 3559 C C . THR A 1 455 ? 34.999 17.374 -20.565 1.00 64.24 ? 473 THR A C 1 +ATOM 3560 O O . THR A 1 455 ? 35.379 18.273 -21.317 1.00 63.22 ? 473 THR A O 1 +ATOM 3561 C CB . THR A 1 455 ? 34.045 15.418 -21.803 1.00 64.84 ? 473 THR A CB 1 +ATOM 3562 O OG1 . THR A 1 455 ? 32.822 14.889 -22.326 1.00 67.93 ? 473 THR A OG1 1 +ATOM 3563 C CG2 . THR A 1 455 ? 34.763 14.310 -21.053 1.00 67.70 ? 473 THR A CG2 1 +ATOM 3564 N N . LYS A 1 456 ? 35.644 17.016 -19.456 1.00 64.58 ? 474 LYS A N 1 +ATOM 3565 C CA . LYS A 1 456 ? 36.894 17.643 -19.044 1.00 65.37 ? 474 LYS A CA 1 +ATOM 3566 C C . LYS A 1 456 ? 37.858 16.613 -18.446 1.00 65.14 ? 474 LYS A C 1 +ATOM 3567 O O . LYS A 1 456 ? 37.987 16.496 -17.224 1.00 66.00 ? 474 LYS A O 1 +ATOM 3568 C CB . LYS A 1 456 ? 36.626 18.765 -18.031 1.00 66.40 ? 474 LYS A CB 1 +ATOM 3569 C CG . LYS A 1 456 ? 35.977 20.016 -18.612 1.00 66.87 ? 474 LYS A CG 1 +ATOM 3570 C CD . LYS A 1 456 ? 35.999 21.142 -17.595 1.00 68.95 ? 474 LYS A CD 1 +ATOM 3571 C CE . LYS A 1 456 ? 35.511 22.453 -18.189 1.00 70.60 ? 474 LYS A CE 1 +ATOM 3572 N NZ . LYS A 1 456 ? 35.652 23.585 -17.224 1.00 70.55 ? 474 LYS A NZ 1 +ATOM 3573 N N . GLY A 1 457 ? 38.530 15.865 -19.315 1.00 63.85 ? 475 GLY A N 1 +ATOM 3574 C CA . GLY A 1 457 ? 39.479 14.867 -18.857 1.00 63.74 ? 475 GLY A CA 1 +ATOM 3575 C C . GLY A 1 457 ? 40.735 14.907 -19.700 1.00 62.85 ? 475 GLY A C 1 +ATOM 3576 O O . GLY A 1 457 ? 40.911 14.058 -20.561 1.00 64.46 ? 475 GLY A O 1 +ATOM 3577 N N . ILE A 1 458 ? 41.604 15.882 -19.427 1.00 61.01 ? 476 ILE A N 1 +ATOM 3578 C CA . ILE A 1 458 ? 42.861 16.124 -20.153 1.00 59.59 ? 476 ILE A CA 1 +ATOM 3579 C C . ILE A 1 458 ? 42.600 17.120 -21.290 1.00 56.36 ? 476 ILE A C 1 +ATOM 3580 O O . ILE A 1 458 ? 43.363 18.071 -21.477 1.00 56.35 ? 476 ILE A O 1 +ATOM 3581 C CB . ILE A 1 458 ? 43.536 14.790 -20.687 1.00 61.27 ? 476 ILE A CB 1 +ATOM 3582 C CG1 . ILE A 1 458 ? 44.442 14.216 -19.588 1.00 63.62 ? 476 ILE A CG1 1 +ATOM 3583 C CG2 . ILE A 1 458 ? 44.318 15.027 -21.992 1.00 61.53 ? 476 ILE A CG2 1 +ATOM 3584 C CD1 . ILE A 1 458 ? 45.281 13.002 -20.001 1.00 65.75 ? 476 ILE A CD1 1 +ATOM 3585 N N . VAL A 1 459 ? 41.520 16.904 -22.035 1.00 51.50 ? 477 VAL A N 1 +ATOM 3586 C CA . VAL A 1 459 ? 41.141 17.788 -23.128 1.00 48.43 ? 477 VAL A CA 1 +ATOM 3587 C C . VAL A 1 459 ? 39.642 18.054 -23.048 1.00 44.72 ? 477 VAL A C 1 +ATOM 3588 O O . VAL A 1 459 ? 38.839 17.129 -23.148 1.00 44.07 ? 477 VAL A O 1 +ATOM 3589 C CB . VAL A 1 459 ? 41.484 17.163 -24.517 1.00 49.40 ? 477 VAL A CB 1 +ATOM 3590 C CG1 . VAL A 1 459 ? 40.832 17.951 -25.636 1.00 49.59 ? 477 VAL A CG1 1 +ATOM 3591 C CG2 . VAL A 1 459 ? 42.979 17.159 -24.733 1.00 50.48 ? 477 VAL A CG2 1 +ATOM 3592 N N . SER A 1 460 ? 39.275 19.316 -22.851 1.00 41.00 ? 478 SER A N 1 +ATOM 3593 C CA . SER A 1 460 ? 37.868 19.703 -22.792 1.00 39.28 ? 478 SER A CA 1 +ATOM 3594 C C . SER A 1 460 ? 37.312 19.630 -24.212 1.00 35.30 ? 478 SER A C 1 +ATOM 3595 O O . SER A 1 460 ? 37.959 20.071 -25.159 1.00 34.27 ? 478 SER A O 1 +ATOM 3596 C CB . SER A 1 460 ? 37.723 21.126 -22.270 1.00 39.55 ? 478 SER A CB 1 +ATOM 3597 O OG . SER A 1 460 ? 38.317 21.248 -20.997 1.00 45.96 ? 478 SER A OG 1 +ATOM 3598 N N . LEU A 1 461 ? 36.121 19.066 -24.352 1.00 33.30 ? 479 LEU A N 1 +ATOM 3599 C CA . LEU A 1 461 ? 35.493 18.927 -25.661 1.00 33.58 ? 479 LEU A CA 1 +ATOM 3600 C C . LEU A 1 461 ? 34.175 19.684 -25.726 1.00 33.31 ? 479 LEU A C 1 +ATOM 3601 O O . LEU A 1 461 ? 33.439 19.741 -24.740 1.00 34.92 ? 479 LEU A O 1 +ATOM 3602 C CB . LEU A 1 461 ? 35.227 17.449 -25.972 1.00 32.47 ? 479 LEU A CB 1 +ATOM 3603 C CG . LEU A 1 461 ? 36.392 16.457 -26.093 1.00 34.43 ? 479 LEU A CG 1 +ATOM 3604 C CD1 . LEU A 1 461 ? 35.826 15.032 -26.231 1.00 33.27 ? 479 LEU A CD1 1 +ATOM 3605 C CD2 . LEU A 1 461 ? 37.260 16.802 -27.301 1.00 29.40 ? 479 LEU A CD2 1 +ATOM 3606 N N . PRO A 1 462 ? 33.858 20.285 -26.886 1.00 33.86 ? 480 PRO A N 1 +ATOM 3607 C CA . PRO A 1 462 ? 32.588 21.007 -26.973 1.00 33.26 ? 480 PRO A CA 1 +ATOM 3608 C C . PRO A 1 462 ? 31.448 19.995 -27.100 1.00 34.03 ? 480 PRO A C 1 +ATOM 3609 O O . PRO A 1 462 ? 31.688 18.826 -27.432 1.00 32.01 ? 480 PRO A O 1 +ATOM 3610 C CB . PRO A 1 462 ? 32.747 21.824 -28.245 1.00 32.71 ? 480 PRO A CB 1 +ATOM 3611 C CG . PRO A 1 462 ? 33.549 20.913 -29.120 1.00 31.99 ? 480 PRO A CG 1 +ATOM 3612 C CD . PRO A 1 462 ? 34.607 20.393 -28.154 1.00 33.53 ? 480 PRO A CD 1 +ATOM 3613 N N . PRO A 1 463 ? 30.200 20.421 -26.830 1.00 33.94 ? 481 PRO A N 1 +ATOM 3614 C CA . PRO A 1 463 ? 29.104 19.457 -26.965 1.00 36.10 ? 481 PRO A CA 1 +ATOM 3615 C C . PRO A 1 463 ? 28.944 19.123 -28.438 1.00 37.02 ? 481 PRO A C 1 +ATOM 3616 O O . PRO A 1 463 ? 29.415 19.869 -29.303 1.00 36.54 ? 481 PRO A O 1 +ATOM 3617 C CB . PRO A 1 463 ? 27.898 20.214 -26.409 1.00 35.34 ? 481 PRO A CB 1 +ATOM 3618 C CG . PRO A 1 463 ? 28.246 21.648 -26.691 1.00 34.86 ? 481 PRO A CG 1 +ATOM 3619 C CD . PRO A 1 463 ? 29.702 21.709 -26.317 1.00 33.06 ? 481 PRO A CD 1 +ATOM 3620 N N . SER A 1 464 ? 28.307 17.995 -28.712 1.00 36.79 ? 482 SER A N 1 +ATOM 3621 C CA . SER A 1 464 ? 28.061 17.547 -30.075 1.00 37.65 ? 482 SER A CA 1 +ATOM 3622 C C . SER A 1 464 ? 27.034 18.489 -30.708 1.00 36.66 ? 482 SER A C 1 +ATOM 3623 O O . SER A 1 464 ? 26.113 18.954 -30.038 1.00 37.17 ? 482 SER A O 1 +ATOM 3624 C CB . SER A 1 464 ? 27.523 16.112 -30.047 1.00 38.74 ? 482 SER A CB 1 +ATOM 3625 O OG . SER A 1 464 ? 27.193 15.648 -31.343 1.00 45.39 ? 482 SER A OG 1 +ATOM 3626 N N . TYR A 1 465 ? 27.193 18.782 -31.991 1.00 36.69 ? 483 TYR A N 1 +ATOM 3627 C CA . TYR A 1 465 ? 26.249 19.664 -32.669 1.00 36.12 ? 483 TYR A CA 1 +ATOM 3628 C C . TYR A 1 465 ? 26.251 19.442 -34.164 1.00 36.43 ? 483 TYR A C 1 +ATOM 3629 O O . TYR A 1 465 ? 27.177 18.851 -34.717 1.00 36.02 ? 483 TYR A O 1 +ATOM 3630 C CB . TYR A 1 465 ? 26.568 21.137 -32.361 1.00 36.30 ? 483 TYR A CB 1 +ATOM 3631 C CG . TYR A 1 465 ? 27.863 21.654 -32.963 1.00 36.47 ? 483 TYR A CG 1 +ATOM 3632 C CD1 . TYR A 1 465 ? 27.872 22.307 -34.210 1.00 36.52 ? 483 TYR A CD1 1 +ATOM 3633 C CD2 . TYR A 1 465 ? 29.086 21.475 -32.301 1.00 35.73 ? 483 TYR A CD2 1 +ATOM 3634 C CE1 . TYR A 1 465 ? 29.075 22.771 -34.783 1.00 37.51 ? 483 TYR A CE1 1 +ATOM 3635 C CE2 . TYR A 1 465 ? 30.300 21.931 -32.867 1.00 35.45 ? 483 TYR A CE2 1 +ATOM 3636 C CZ . TYR A 1 465 ? 30.285 22.576 -34.103 1.00 36.81 ? 483 TYR A CZ 1 +ATOM 3637 O OH . TYR A 1 465 ? 31.463 23.012 -34.662 1.00 34.07 ? 483 TYR A OH 1 +ATOM 3638 N N . GLN A 1 466 ? 25.186 19.898 -34.807 1.00 37.68 ? 484 GLN A N 1 +ATOM 3639 C CA . GLN A 1 466 ? 25.069 19.802 -36.247 1.00 40.23 ? 484 GLN A CA 1 +ATOM 3640 C C . GLN A 1 466 ? 25.084 21.226 -36.768 1.00 38.59 ? 484 GLN A C 1 +ATOM 3641 O O . GLN A 1 466 ? 24.699 22.153 -36.060 1.00 37.60 ? 484 GLN A O 1 +ATOM 3642 C CB . GLN A 1 466 ? 23.773 19.096 -36.644 1.00 43.98 ? 484 GLN A CB 1 +ATOM 3643 C CG . GLN A 1 466 ? 23.763 17.621 -36.281 1.00 47.90 ? 484 GLN A CG 1 +ATOM 3644 C CD . GLN A 1 466 ? 22.936 16.801 -37.242 1.00 51.68 ? 484 GLN A CD 1 +ATOM 3645 O OE1 . GLN A 1 466 ? 21.747 17.062 -37.433 1.00 54.79 ? 484 GLN A OE1 1 +ATOM 3646 N NE2 . GLN A 1 466 ? 23.561 15.803 -37.861 1.00 52.79 ? 484 GLN A NE2 1 +ATOM 3647 N N . ILE A 1 467 ? 25.523 21.398 -38.007 1.00 39.71 ? 485 ILE A N 1 +ATOM 3648 C CA . ILE A 1 467 ? 25.611 22.726 -38.600 1.00 38.53 ? 485 ILE A CA 1 +ATOM 3649 C C . ILE A 1 467 ? 25.449 22.643 -40.122 1.00 38.67 ? 485 ILE A C 1 +ATOM 3650 O O . ILE A 1 467 ? 25.735 21.617 -40.727 1.00 39.03 ? 485 ILE A O 1 +ATOM 3651 C CB . ILE A 1 467 ? 26.988 23.359 -38.207 1.00 38.37 ? 485 ILE A CB 1 +ATOM 3652 C CG1 . ILE A 1 467 ? 27.091 24.818 -38.676 1.00 37.11 ? 485 ILE A CG1 1 +ATOM 3653 C CG2 . ILE A 1 467 ? 28.121 22.487 -38.749 1.00 35.42 ? 485 ILE A CG2 1 +ATOM 3654 C CD1 . ILE A 1 467 ? 28.309 25.556 -38.095 1.00 36.05 ? 485 ILE A CD1 1 +ATOM 3655 N N . CYS A 1 468 ? 24.960 23.721 -40.726 1.00 40.12 ? 486 CYS A N 1 +ATOM 3656 C CA . CYS A 1 468 ? 24.783 23.786 -42.171 1.00 40.06 ? 486 CYS A CA 1 +ATOM 3657 C C . CYS A 1 468 ? 25.722 24.850 -42.730 1.00 39.43 ? 486 CYS A C 1 +ATOM 3658 O O . CYS A 1 468 ? 25.701 26.004 -42.291 1.00 35.92 ? 486 CYS A O 1 +ATOM 3659 C CB . CYS A 1 468 ? 23.343 24.168 -42.539 1.00 42.47 ? 486 CYS A CB 1 +ATOM 3660 S SG . CYS A 1 468 ? 22.049 23.078 -41.929 1.00 46.94 ? 486 CYS A SG 1 +ATOM 3661 N N . PHE A 1 469 ? 26.544 24.449 -43.695 1.00 39.04 ? 487 PHE A N 1 +ATOM 3662 C CA . PHE A 1 469 ? 27.476 25.357 -44.345 1.00 39.69 ? 487 PHE A CA 1 +ATOM 3663 C C . PHE A 1 469 ? 26.815 25.859 -45.637 1.00 40.70 ? 487 PHE A C 1 +ATOM 3664 O O . PHE A 1 469 ? 26.801 25.165 -46.660 1.00 39.43 ? 487 PHE A O 1 +ATOM 3665 C CB . PHE A 1 469 ? 28.792 24.634 -44.648 1.00 39.00 ? 487 PHE A CB 1 +ATOM 3666 C CG . PHE A 1 469 ? 29.550 24.214 -43.417 1.00 40.49 ? 487 PHE A CG 1 +ATOM 3667 C CD1 . PHE A 1 469 ? 29.350 22.945 -42.849 1.00 41.07 ? 487 PHE A CD1 1 +ATOM 3668 C CD2 . PHE A 1 469 ? 30.454 25.096 -42.805 1.00 39.03 ? 487 PHE A CD2 1 +ATOM 3669 C CE1 . PHE A 1 469 ? 30.047 22.557 -41.679 1.00 40.61 ? 487 PHE A CE1 1 +ATOM 3670 C CE2 . PHE A 1 469 ? 31.156 24.724 -41.636 1.00 39.01 ? 487 PHE A CE2 1 +ATOM 3671 C CZ . PHE A 1 469 ? 30.951 23.452 -41.073 1.00 40.76 ? 487 PHE A CZ 1 +ATOM 3672 N N . ILE A 1 470 ? 26.259 27.064 -45.569 1.00 41.19 ? 488 ILE A N 1 +ATOM 3673 C CA . ILE A 1 470 ? 25.565 27.672 -46.697 1.00 43.92 ? 488 ILE A CA 1 +ATOM 3674 C C . ILE A 1 470 ? 26.493 28.581 -47.506 1.00 45.56 ? 488 ILE A C 1 +ATOM 3675 O O . ILE A 1 470 ? 26.901 29.635 -47.026 1.00 45.21 ? 488 ILE A O 1 +ATOM 3676 C CB . ILE A 1 470 ? 24.330 28.491 -46.199 1.00 44.70 ? 488 ILE A CB 1 +ATOM 3677 C CG1 . ILE A 1 470 ? 23.384 27.566 -45.424 1.00 44.84 ? 488 ILE A CG1 1 +ATOM 3678 C CG2 . ILE A 1 470 ? 23.584 29.145 -47.389 1.00 41.57 ? 488 ILE A CG2 1 +ATOM 3679 C CD1 . ILE A 1 470 ? 22.215 28.280 -44.797 1.00 48.22 ? 488 ILE A CD1 1 +ATOM 3680 N N . PRO A 1 471 ? 26.827 28.185 -48.751 1.00 48.26 ? 489 PRO A N 1 +ATOM 3681 C CA . PRO A 1 471 ? 27.712 28.996 -49.601 1.00 50.44 ? 489 PRO A CA 1 +ATOM 3682 C C . PRO A 1 471 ? 27.225 30.431 -49.765 1.00 51.98 ? 489 PRO A C 1 +ATOM 3683 O O . PRO A 1 471 ? 26.052 30.663 -50.059 1.00 53.17 ? 489 PRO A O 1 +ATOM 3684 C CB . PRO A 1 471 ? 27.737 28.223 -50.919 1.00 50.85 ? 489 PRO A CB 1 +ATOM 3685 C CG . PRO A 1 471 ? 26.443 27.448 -50.905 1.00 51.76 ? 489 PRO A CG 1 +ATOM 3686 C CD . PRO A 1 471 ? 26.355 26.993 -49.479 1.00 48.86 ? 489 PRO A CD 1 +ATOM 3687 N N . VAL A 1 472 ? 28.127 31.390 -49.552 1.00 53.48 ? 490 VAL A N 1 +ATOM 3688 C CA . VAL A 1 472 ? 27.774 32.807 -49.657 1.00 55.13 ? 490 VAL A CA 1 +ATOM 3689 C C . VAL A 1 472 ? 27.398 33.211 -51.081 1.00 55.79 ? 490 VAL A C 1 +ATOM 3690 O O . VAL A 1 472 ? 27.864 32.547 -52.036 1.00 55.73 ? 490 VAL A O 1 +ATOM 3691 C CB . VAL A 1 472 ? 28.932 33.736 -49.162 1.00 54.95 ? 490 VAL A CB 1 +ATOM 3692 C CG1 . VAL A 1 472 ? 29.294 33.396 -47.723 1.00 55.15 ? 490 VAL A CG1 1 +ATOM 3693 C CG2 . VAL A 1 472 ? 30.154 33.608 -50.070 1.00 54.95 ? 490 VAL A CG2 1 +HETATM 3694 S S . SO4 B 2 . ? 37.138 41.946 -54.352 1.00 66.55 ? 503 SO4 A S 1 +HETATM 3695 O O1 . SO4 B 2 . ? 38.238 41.013 -54.657 1.00 67.50 ? 503 SO4 A O1 1 +HETATM 3696 O O2 . SO4 B 2 . ? 36.570 42.463 -55.613 1.00 69.56 ? 503 SO4 A O2 1 +HETATM 3697 O O3 . SO4 B 2 . ? 36.088 41.230 -53.606 1.00 66.05 ? 503 SO4 A O3 1 +HETATM 3698 O O4 . SO4 B 2 . ? 37.641 43.081 -53.550 1.00 65.00 ? 503 SO4 A O4 1 +HETATM 3699 S S . SO4 C 2 . ? 58.980 32.285 -38.137 1.00 75.66 ? 504 SO4 A S 1 +HETATM 3700 O O1 . SO4 C 2 . ? 59.861 32.054 -36.973 1.00 76.55 ? 504 SO4 A O1 1 +HETATM 3701 O O2 . SO4 C 2 . ? 58.222 31.060 -38.435 1.00 74.06 ? 504 SO4 A O2 1 +HETATM 3702 O O3 . SO4 C 2 . ? 58.033 33.374 -37.826 1.00 76.20 ? 504 SO4 A O3 1 +HETATM 3703 O O4 . SO4 C 2 . ? 59.802 32.655 -39.304 1.00 75.22 ? 504 SO4 A O4 1 +HETATM 3704 S S . SO4 D 2 . ? 44.279 43.063 -51.493 1.00 94.08 ? 505 SO4 A S 1 +HETATM 3705 O O1 . SO4 D 2 . ? 45.644 42.566 -51.734 1.00 94.49 ? 505 SO4 A O1 1 +HETATM 3706 O O2 . SO4 D 2 . ? 43.774 43.713 -52.715 1.00 94.52 ? 505 SO4 A O2 1 +HETATM 3707 O O3 . SO4 D 2 . ? 43.393 41.939 -51.148 1.00 94.25 ? 505 SO4 A O3 1 +HETATM 3708 O O4 . SO4 D 2 . ? 44.298 44.036 -50.382 1.00 93.75 ? 505 SO4 A O4 1 +HETATM 3709 C CHA . HEM E 3 . ? 52.765 21.150 -26.192 1.00 30.90 ? 500 HEM A CHA 1 +HETATM 3710 C CHB . HEM E 3 . ? 48.648 23.462 -26.628 1.00 28.73 ? 500 HEM A CHB 1 +HETATM 3711 C CHC . HEM E 3 . ? 48.696 22.515 -31.250 1.00 27.65 ? 500 HEM A CHC 1 +HETATM 3712 C CHD . HEM E 3 . ? 52.985 20.621 -30.876 1.00 28.75 ? 500 HEM A CHD 1 +HETATM 3713 C C1A . HEM E 3 . ? 51.619 21.864 -25.827 1.00 30.11 ? 500 HEM A C1A 1 +HETATM 3714 C C2A . HEM E 3 . ? 51.204 22.166 -24.539 1.00 29.52 ? 500 HEM A C2A 1 +HETATM 3715 C C3A . HEM E 3 . ? 50.021 22.881 -24.681 1.00 27.54 ? 500 HEM A C3A 1 +HETATM 3716 C C4A . HEM E 3 . ? 49.790 22.973 -26.049 1.00 29.47 ? 500 HEM A C4A 1 +HETATM 3717 C CMA . HEM E 3 . ? 49.097 23.485 -23.554 1.00 28.48 ? 500 HEM A CMA 1 +HETATM 3718 C CAA . HEM E 3 . ? 51.956 21.765 -23.259 1.00 30.30 ? 500 HEM A CAA 1 +HETATM 3719 C CBA . HEM E 3 . ? 52.962 22.775 -22.816 1.00 29.13 ? 500 HEM A CBA 1 +HETATM 3720 C CGA . HEM E 3 . ? 53.684 22.418 -21.550 1.00 29.94 ? 500 HEM A CGA 1 +HETATM 3721 O O1A . HEM E 3 . ? 53.468 23.076 -20.548 1.00 29.54 ? 500 HEM A O1A 1 +HETATM 3722 O O2A . HEM E 3 . ? 54.474 21.502 -21.504 1.00 29.54 ? 500 HEM A O2A 1 +HETATM 3723 C C1B . HEM E 3 . ? 48.240 23.493 -27.954 1.00 27.33 ? 500 HEM A C1B 1 +HETATM 3724 C C2B . HEM E 3 . ? 47.006 23.991 -28.441 1.00 22.03 ? 500 HEM A C2B 1 +HETATM 3725 C C3B . HEM E 3 . ? 46.968 23.587 -29.789 1.00 24.09 ? 500 HEM A C3B 1 +HETATM 3726 C C4B . HEM E 3 . ? 48.184 22.880 -30.004 1.00 26.46 ? 500 HEM A C4B 1 +HETATM 3727 C CMB . HEM E 3 . ? 46.004 24.785 -27.625 1.00 19.40 ? 500 HEM A CMB 1 +HETATM 3728 C CAB . HEM E 3 . ? 45.967 23.816 -30.763 1.00 24.93 ? 500 HEM A CAB 1 +HETATM 3729 C CBB . HEM E 3 . ? 45.164 25.024 -31.009 1.00 26.38 ? 500 HEM A CBB 1 +HETATM 3730 C C1C . HEM E 3 . ? 49.983 22.205 -31.655 1.00 31.63 ? 500 HEM A C1C 1 +HETATM 3731 C C2C . HEM E 3 . ? 50.348 21.909 -32.967 1.00 32.22 ? 500 HEM A C2C 1 +HETATM 3732 C C3C . HEM E 3 . ? 51.554 21.188 -32.892 1.00 30.45 ? 500 HEM A C3C 1 +HETATM 3733 C C4C . HEM E 3 . ? 51.838 21.104 -31.499 1.00 31.22 ? 500 HEM A C4C 1 +HETATM 3734 C CMC . HEM E 3 . ? 49.566 22.299 -34.273 1.00 29.34 ? 500 HEM A CMC 1 +HETATM 3735 C CAC . HEM E 3 . ? 52.352 20.640 -33.876 1.00 32.38 ? 500 HEM A CAC 1 +HETATM 3736 C CBC . HEM E 3 . ? 53.604 21.062 -34.390 1.00 31.15 ? 500 HEM A CBC 1 +HETATM 3737 C C1D . HEM E 3 . ? 53.313 20.581 -29.559 1.00 30.71 ? 500 HEM A C1D 1 +HETATM 3738 C C2D . HEM E 3 . ? 54.367 19.827 -29.029 1.00 28.41 ? 500 HEM A C2D 1 +HETATM 3739 C C3D . HEM E 3 . ? 54.325 19.972 -27.675 1.00 29.45 ? 500 HEM A C3D 1 +HETATM 3740 C C4D . HEM E 3 . ? 53.232 20.812 -27.442 1.00 29.53 ? 500 HEM A C4D 1 +HETATM 3741 C CMD . HEM E 3 . ? 55.396 18.989 -29.810 1.00 27.36 ? 500 HEM A CMD 1 +HETATM 3742 C CAD . HEM E 3 . ? 55.272 19.359 -26.601 1.00 31.24 ? 500 HEM A CAD 1 +HETATM 3743 C CBD . HEM E 3 . ? 56.465 20.327 -26.323 1.00 32.22 ? 500 HEM A CBD 1 +HETATM 3744 C CGD . HEM E 3 . ? 57.530 19.927 -25.280 1.00 33.60 ? 500 HEM A CGD 1 +HETATM 3745 O O1D . HEM E 3 . ? 57.315 19.040 -24.482 1.00 33.76 ? 500 HEM A O1D 1 +HETATM 3746 O O2D . HEM E 3 . ? 58.616 20.537 -25.261 1.00 30.32 ? 500 HEM A O2D 1 +HETATM 3747 N NA . HEM E 3 . ? 50.736 22.371 -26.737 1.00 31.27 ? 500 HEM A NA 1 +HETATM 3748 N NB . HEM E 3 . ? 48.907 22.848 -28.901 1.00 28.09 ? 500 HEM A NB 1 +HETATM 3749 N NC . HEM E 3 . ? 50.867 21.730 -30.792 1.00 31.46 ? 500 HEM A NC 1 +HETATM 3750 N ND . HEM E 3 . ? 52.648 21.162 -28.589 1.00 29.79 ? 500 HEM A ND 1 +HETATM 3751 FE FE . HEM E 3 . ? 50.836 22.122 -28.769 1.00 27.67 ? 500 HEM A FE 1 +HETATM 3752 C C15 . 225 F 4 . ? 45.660 15.639 -27.955 1.00 50.88 ? 501 225 A C15 1 +HETATM 3753 C C14 . 225 F 4 . ? 46.132 14.285 -27.418 1.00 52.44 ? 501 225 A C14 1 +HETATM 3754 O O2 . 225 F 4 . ? 47.181 14.472 -26.450 1.00 51.88 ? 501 225 A O2 1 +HETATM 3755 C C13 . 225 F 4 . ? 47.695 13.381 -25.808 1.00 51.27 ? 501 225 A C13 1 +HETATM 3756 O O1 . 225 F 4 . ? 47.249 12.251 -26.016 1.00 51.96 ? 501 225 A O1 1 +HETATM 3757 C C2 . 225 F 4 . ? 48.813 13.600 -24.771 1.00 48.62 ? 501 225 A C2 1 +HETATM 3758 C C1 . 225 F 4 . ? 49.847 12.686 -24.513 1.00 49.15 ? 501 225 A C1 1 +HETATM 3759 C C12 . 225 F 4 . ? 50.310 11.602 -25.495 1.00 49.85 ? 501 225 A C12 1 +HETATM 3760 N N1 . 225 F 4 . ? 50.545 12.776 -23.362 1.00 49.44 ? 501 225 A N1 1 +HETATM 3761 C C5 . 225 F 4 . ? 50.363 13.675 -22.373 1.00 47.56 ? 501 225 A C5 1 +HETATM 3762 C C18 . 225 F 4 . ? 51.395 13.664 -21.239 1.00 47.99 ? 501 225 A C18 1 +HETATM 3763 C C4 . 225 F 4 . ? 49.337 14.625 -22.486 1.00 48.21 ? 501 225 A C4 1 +HETATM 3764 C C16 . 225 F 4 . ? 48.591 15.227 -21.280 1.00 48.38 ? 501 225 A C16 1 +HETATM 3765 O O3 . 225 F 4 . ? 48.627 14.665 -20.184 1.00 52.81 ? 501 225 A O3 1 +HETATM 3766 O O4 . 225 F 4 . ? 47.858 16.365 -21.457 1.00 48.95 ? 501 225 A O4 1 +HETATM 3767 C C17 . 225 F 4 . ? 47.171 16.917 -20.325 1.00 49.14 ? 501 225 A C17 1 +HETATM 3768 C C3 . 225 F 4 . ? 48.817 14.891 -23.918 1.00 46.38 ? 501 225 A C3 1 +HETATM 3769 C C6 . 225 F 4 . ? 49.286 16.196 -24.608 1.00 39.33 ? 501 225 A C6 1 +HETATM 3770 C C7 . 225 F 4 . ? 50.626 16.299 -25.013 1.00 39.23 ? 501 225 A C7 1 +HETATM 3771 C C8 . 225 F 4 . ? 51.128 17.425 -25.665 1.00 37.90 ? 501 225 A C8 1 +HETATM 3772 C C9 . 225 F 4 . ? 50.259 18.487 -25.919 1.00 35.71 ? 501 225 A C9 1 +HETATM 3773 C C10 . 225 F 4 . ? 48.922 18.421 -25.521 1.00 33.17 ? 501 225 A C10 1 +HETATM 3774 CL CL1 . 225 F 4 . ? 47.978 19.841 -25.818 1.00 17.95 ? 501 225 A CL1 1 +HETATM 3775 C C11 . 225 F 4 . ? 48.426 17.280 -24.871 1.00 35.60 ? 501 225 A C11 1 +HETATM 3776 CL CL2 . 225 F 4 . ? 46.748 17.251 -24.433 1.00 19.78 ? 501 225 A CL2 1 +HETATM 3777 C C1 . PLM G 5 . ? 34.928 3.852 -21.413 1.00 54.41 ? 502 PLM A C1 1 +HETATM 3778 O O1 . PLM G 5 . ? 34.325 3.215 -22.274 1.00 54.37 ? 502 PLM A O1 1 +HETATM 3779 O O2 . PLM G 5 . ? 34.612 5.025 -21.222 1.00 52.03 ? 502 PLM A O2 1 +HETATM 3780 C C2 . PLM G 5 . ? 36.009 3.166 -20.572 1.00 54.16 ? 502 PLM A C2 1 +HETATM 3781 C C3 . PLM G 5 . ? 37.437 3.506 -21.008 1.00 55.16 ? 502 PLM A C3 1 +HETATM 3782 C C4 . PLM G 5 . ? 38.465 2.667 -20.243 1.00 54.09 ? 502 PLM A C4 1 +HETATM 3783 C C5 . PLM G 5 . ? 39.882 3.181 -20.505 1.00 52.21 ? 502 PLM A C5 1 +HETATM 3784 C C6 . PLM G 5 . ? 40.951 2.322 -19.823 1.00 49.64 ? 502 PLM A C6 1 +HETATM 3785 C C7 . PLM G 5 . ? 42.331 2.950 -20.032 1.00 49.96 ? 502 PLM A C7 1 +HETATM 3786 C C8 . PLM G 5 . ? 43.481 1.979 -19.755 1.00 51.34 ? 502 PLM A C8 1 +HETATM 3787 C C9 . PLM G 5 . ? 44.788 2.597 -20.258 1.00 55.63 ? 502 PLM A C9 1 +HETATM 3788 C CA . PLM G 5 . ? 45.900 1.566 -20.459 1.00 56.75 ? 502 PLM A CA 1 +HETATM 3789 C CB . PLM G 5 . ? 47.053 2.190 -21.251 1.00 59.79 ? 502 PLM A CB 1 +HETATM 3790 C CC . PLM G 5 . ? 48.105 1.148 -21.637 1.00 61.62 ? 502 PLM A CC 1 +HETATM 3791 C CD . PLM G 5 . ? 49.187 1.744 -22.540 1.00 63.36 ? 502 PLM A CD 1 +HETATM 3792 C CE . PLM G 5 . ? 50.178 0.670 -22.996 1.00 66.84 ? 502 PLM A CE 1 +HETATM 3793 C CF . PLM G 5 . ? 51.220 1.237 -23.963 1.00 69.44 ? 502 PLM A CF 1 +HETATM 3794 C CG . PLM G 5 . ? 52.158 0.144 -24.480 1.00 71.35 ? 502 PLM A CG 1 +HETATM 3795 O O . HOH H 6 . ? 45.356 34.326 -33.321 1.00 41.05 ? 506 HOH A O 1 +HETATM 3796 O O . HOH H 6 . ? 56.515 27.936 -29.403 1.00 36.55 ? 507 HOH A O 1 +HETATM 3797 O O . HOH H 6 . ? 42.811 26.359 -28.226 1.00 21.55 ? 508 HOH A O 1 +HETATM 3798 O O . HOH H 6 . ? 60.262 19.006 0.412 1.00 53.16 ? 509 HOH A O 1 +HETATM 3799 O O . HOH H 6 . ? 29.193 38.913 -26.502 1.00 57.04 ? 510 HOH A O 1 +HETATM 3800 O O . HOH H 6 . ? 31.581 24.307 -6.632 1.00 51.01 ? 511 HOH A O 1 +HETATM 3801 O O . HOH H 6 . ? 38.494 16.606 -31.019 1.00 39.71 ? 512 HOH A O 1 +HETATM 3802 O O . HOH H 6 . ? 57.483 11.883 -26.510 1.00 38.64 ? 513 HOH A O 1 +HETATM 3803 O O . HOH H 6 . ? 28.403 30.878 -25.763 1.00 38.34 ? 514 HOH A O 1 +HETATM 3804 O O . HOH H 6 . ? 29.746 18.255 -33.554 1.00 42.79 ? 515 HOH A O 1 +HETATM 3805 O O . HOH H 6 . ? 62.465 15.730 -14.745 1.00 58.59 ? 516 HOH A O 1 +HETATM 3806 O O . HOH H 6 . ? 56.953 26.240 -33.531 1.00 41.02 ? 517 HOH A O 1 +HETATM 3807 O O . HOH H 6 . ? 65.030 27.910 -39.675 1.00 45.89 ? 518 HOH A O 1 +HETATM 3808 O O . HOH H 6 . ? 49.483 9.728 -19.730 1.00 47.24 ? 519 HOH A O 1 +HETATM 3809 O O . HOH H 6 . ? 48.307 38.686 -31.987 1.00 47.81 ? 520 HOH A O 1 +HETATM 3810 O O . HOH H 6 . ? 35.550 9.467 -21.519 1.00 49.47 ? 521 HOH A O 1 +HETATM 3811 O O . HOH H 6 . ? 51.275 32.348 -36.537 1.00 35.60 ? 522 HOH A O 1 +HETATM 3812 O O . HOH H 6 . ? 48.827 6.004 -33.040 1.00 60.33 ? 523 HOH A O 1 +HETATM 3813 O O . HOH H 6 . ? 46.572 16.320 -53.068 1.00 49.36 ? 524 HOH A O 1 +HETATM 3814 O O . HOH H 6 . ? 52.740 33.113 -21.864 1.00 49.53 ? 525 HOH A O 1 +HETATM 3815 O O . HOH H 6 . ? 51.699 31.924 -49.110 1.00 48.75 ? 526 HOH A O 1 +HETATM 3816 O O . HOH H 6 . ? 62.731 25.989 -26.561 1.00 44.90 ? 527 HOH A O 1 +HETATM 3817 O O . HOH H 6 . ? 60.508 28.303 -26.570 1.00 42.76 ? 528 HOH A O 1 +HETATM 3818 O O . HOH H 6 . ? 43.291 41.305 -23.471 1.00 40.12 ? 529 HOH A O 1 +HETATM 3819 O O . HOH H 6 . ? 63.965 18.646 -18.814 1.00 46.11 ? 530 HOH A O 1 +HETATM 3820 O O . HOH H 6 . ? 44.163 31.244 -6.095 1.00 51.10 ? 531 HOH A O 1 +HETATM 3821 O O . HOH H 6 . ? 49.396 7.823 -29.334 1.00 51.04 ? 532 HOH A O 1 +HETATM 3822 O O . HOH H 6 . ? 63.133 26.325 -23.706 1.00 45.28 ? 533 HOH A O 1 +HETATM 3823 O O . HOH H 6 . ? 47.130 -4.877 -19.301 1.00 51.54 ? 534 HOH A O 1 +HETATM 3824 O O . HOH H 6 . ? 47.830 20.337 -37.082 1.00 36.65 ? 535 HOH A O 1 +HETATM 3825 O O . HOH H 6 . ? 25.590 36.584 -39.036 1.00 36.08 ? 536 HOH A O 1 +HETATM 3826 O O . HOH H 6 . ? 36.654 12.925 -31.472 1.00 74.93 ? 537 HOH A O 1 +HETATM 3827 O O . HOH H 6 . ? 51.764 7.059 -31.870 1.00 61.98 ? 538 HOH A O 1 +HETATM 3828 O O . HOH H 6 . ? 36.490 46.574 -25.387 1.00 61.56 ? 539 HOH A O 1 +HETATM 3829 O O . HOH H 6 . ? 73.717 10.360 -36.575 1.00 55.30 ? 540 HOH A O 1 +HETATM 3830 O O . HOH H 6 . ? 50.044 33.361 -6.004 1.00 43.62 ? 541 HOH A O 1 +HETATM 3831 O O . HOH H 6 . ? 32.954 16.906 -28.972 1.00 44.87 ? 542 HOH A O 1 +HETATM 3832 O O . HOH H 6 . ? 44.843 19.784 -54.099 1.00 60.48 ? 543 HOH A O 1 +HETATM 3833 O O . HOH H 6 . ? 50.948 32.531 -25.828 1.00 41.62 ? 544 HOH A O 1 +HETATM 3834 O O . HOH H 6 . ? 29.948 37.110 -52.718 1.00 72.89 ? 545 HOH A O 1 +HETATM 3835 O O . HOH H 6 . ? 51.228 36.110 -45.137 1.00 47.78 ? 546 HOH A O 1 +HETATM 3836 O O . HOH H 6 . ? 33.607 20.786 -54.015 1.00 60.47 ? 547 HOH A O 1 +HETATM 3837 O O . HOH H 6 . ? 47.647 27.053 -51.978 1.00 57.65 ? 548 HOH A O 1 +HETATM 3838 O O . HOH H 6 . ? 48.570 41.283 -13.324 1.00 67.60 ? 549 HOH A O 1 +HETATM 3839 O O . HOH H 6 . ? 27.013 14.399 -40.775 1.00 55.17 ? 550 HOH A O 1 +HETATM 3840 O O . HOH H 6 . ? 64.178 11.472 -22.352 1.00 43.86 ? 551 HOH A O 1 +HETATM 3841 O O . HOH H 6 . ? 24.856 16.401 -32.918 1.00 50.11 ? 552 HOH A O 1 +HETATM 3842 O O . HOH H 6 . ? 29.651 14.616 -32.216 1.00 53.09 ? 553 HOH A O 1 +HETATM 3843 O O . HOH H 6 . ? 34.731 38.363 -48.544 1.00 47.21 ? 554 HOH A O 1 +HETATM 3844 O O . HOH H 6 . ? 36.978 11.858 -25.522 1.00 43.46 ? 555 HOH A O 1 +HETATM 3845 O O . HOH H 6 . ? 51.480 9.954 -12.392 1.00 70.87 ? 556 HOH A O 1 +HETATM 3846 O O . HOH H 6 . ? 22.573 20.595 -33.116 1.00 49.59 ? 557 HOH A O 1 +HETATM 3847 O O . HOH H 6 . ? 27.038 35.363 -41.021 1.00 40.32 ? 558 HOH A O 1 +HETATM 3848 O O . HOH H 6 . ? 47.917 41.749 -19.263 1.00 44.46 ? 559 HOH A O 1 +HETATM 3849 O O . HOH H 6 . ? 58.103 29.926 -35.762 1.00 47.72 ? 560 HOH A O 1 +HETATM 3850 O O . HOH H 6 . ? 34.175 39.242 -13.275 1.00 57.59 ? 561 HOH A O 1 +HETATM 3851 O O . HOH H 6 . ? 61.941 11.150 -19.446 1.00 61.37 ? 562 HOH A O 1 +HETATM 3852 O O . HOH H 6 . ? 51.065 12.020 -17.490 1.00 62.35 ? 563 HOH A O 1 +HETATM 3853 O O . HOH H 6 . ? 48.982 28.219 -0.857 1.00 41.87 ? 564 HOH A O 1 +HETATM 3854 O O . HOH H 6 . ? 22.976 36.796 -30.593 1.00 66.11 ? 565 HOH A O 1 +HETATM 3855 O O . HOH H 6 . ? 43.825 4.685 -51.635 1.00 71.01 ? 566 HOH A O 1 +HETATM 3856 O O . HOH H 6 . ? 65.389 26.684 -6.539 1.00 55.38 ? 567 HOH A O 1 +HETATM 3857 O O . HOH H 6 . ? 68.361 17.978 -6.427 1.00 51.31 ? 568 HOH A O 1 +HETATM 3858 O O . HOH H 6 . ? 45.022 32.915 -30.759 1.00 40.20 ? 569 HOH A O 1 +HETATM 3859 O O . HOH H 6 . ? 25.539 28.248 -23.959 1.00 66.75 ? 570 HOH A O 1 +HETATM 3860 O O . HOH H 6 . ? 39.582 34.821 -10.917 1.00 41.02 ? 571 HOH A O 1 +HETATM 3861 O O . HOH H 6 . ? 33.450 34.037 -52.037 1.00 66.17 ? 572 HOH A O 1 +HETATM 3862 O O . HOH H 6 . ? 52.670 17.004 1.985 1.00 51.45 ? 573 HOH A O 1 +HETATM 3863 O O . HOH H 6 . ? 67.906 22.564 -13.461 1.00 63.79 ? 574 HOH A O 1 +HETATM 3864 O O . HOH H 6 . ? 52.032 36.462 -48.233 1.00 56.79 ? 575 HOH A O 1 +HETATM 3865 O O . HOH H 6 . ? 52.910 34.460 -29.610 1.00 59.55 ? 576 HOH A O 1 +HETATM 3866 O O . HOH H 6 . ? 48.157 32.731 -8.158 1.00 35.89 ? 577 HOH A O 1 +HETATM 3867 O O . HOH H 6 . ? 43.665 41.009 -53.635 1.00 54.45 ? 578 HOH A O 1 +HETATM 3868 O O . HOH H 6 . ? 41.409 44.417 -51.128 1.00 59.08 ? 579 HOH A O 1 +HETATM 3869 O O . HOH H 6 . ? 31.385 19.036 -31.109 1.00 30.53 ? 580 HOH A O 1 +HETATM 3870 O O . HOH H 6 . ? 52.655 35.711 -19.926 1.00 45.33 ? 581 HOH A O 1 +HETATM 3871 O O . HOH H 6 . ? 42.161 26.567 -25.361 1.00 29.80 ? 582 HOH A O 1 +HETATM 3872 O O . HOH H 6 . ? 50.922 22.928 -19.838 1.00 33.05 ? 583 HOH A O 1 +HETATM 3873 O O . HOH H 6 . ? 28.707 32.905 -23.622 1.00 34.90 ? 584 HOH A O 1 +HETATM 3874 O O . HOH H 6 . ? 35.889 11.983 -28.489 1.00 63.99 ? 585 HOH A O 1 +HETATM 3875 O O . HOH H 6 . ? 21.007 30.001 -37.666 1.00 44.43 ? 586 HOH A O 1 +HETATM 3876 O O . HOH H 6 . ? 58.387 14.437 -4.161 1.00 51.72 ? 587 HOH A O 1 +HETATM 3877 O O . HOH H 6 . ? 52.940 -3.612 -39.124 1.00 66.03 ? 588 HOH A O 1 +HETATM 3878 O O . HOH H 6 . ? 41.153 10.213 -0.581 1.00 37.98 ? 589 HOH A O 1 +HETATM 3879 O O . HOH H 6 . ? 28.413 17.507 -18.854 1.00 63.25 ? 590 HOH A O 1 +HETATM 3880 O O . HOH H 6 . ? 11.199 30.823 -31.611 1.00 66.35 ? 591 HOH A O 1 +HETATM 3881 O O . HOH H 6 . ? 55.849 29.370 -50.604 1.00 49.76 ? 592 HOH A O 1 +HETATM 3882 O O . HOH H 6 . ? 69.401 20.800 -31.372 1.00 52.01 ? 593 HOH A O 1 +HETATM 3883 O O . HOH H 6 . ? 49.831 17.727 2.693 1.00 57.60 ? 594 HOH A O 1 +HETATM 3884 O O . HOH H 6 . ? 55.310 13.290 -8.046 1.00 35.00 ? 595 HOH A O 1 +HETATM 3885 O O . HOH H 6 . ? 31.629 15.783 -47.769 1.00 62.41 ? 596 HOH A O 1 +HETATM 3886 O O . HOH H 6 . ? 46.443 0.590 -48.066 1.00 74.44 ? 597 HOH A O 1 +HETATM 3887 O O . HOH H 6 . ? 44.278 42.941 -21.238 1.00 50.22 ? 598 HOH A O 1 +HETATM 3888 O O . HOH H 6 . ? 50.613 5.213 -6.178 1.00 45.71 ? 599 HOH A O 1 +HETATM 3889 O O . HOH H 6 . ? 63.961 12.905 -15.616 1.00 62.29 ? 600 HOH A O 1 +HETATM 3890 O O . HOH H 6 . ? 59.998 23.141 -48.755 1.00 47.42 ? 601 HOH A O 1 +HETATM 3891 O O . HOH H 6 . ? 31.386 35.008 -15.923 1.00 45.61 ? 602 HOH A O 1 +HETATM 3892 O O . HOH H 6 . ? 24.841 17.811 -27.669 1.00 48.63 ? 603 HOH A O 1 +HETATM 3893 O O . HOH H 6 . ? 31.483 35.632 -46.342 1.00 40.99 ? 604 HOH A O 1 +HETATM 3894 O O . HOH H 6 . ? 23.987 31.504 -36.993 1.00 46.16 ? 605 HOH A O 1 +HETATM 3895 O O . HOH H 6 . ? 59.235 26.628 -17.768 1.00 45.67 ? 606 HOH A O 1 +HETATM 3896 O O . HOH H 6 . ? 23.453 34.266 -39.539 1.00 55.52 ? 607 HOH A O 1 +HETATM 3897 O O . HOH H 6 . ? 26.834 32.409 -37.244 1.00 42.66 ? 608 HOH A O 1 +HETATM 3898 O O . HOH H 6 . ? 34.487 47.883 -43.059 1.00 70.87 ? 609 HOH A O 1 +HETATM 3899 O O . HOH H 6 . ? 47.991 17.024 0.468 1.00 32.99 ? 610 HOH A O 1 +HETATM 3900 O O . HOH H 6 . ? 28.035 34.632 -54.313 1.00 65.63 ? 611 HOH A O 1 +HETATM 3901 O O . HOH H 6 . ? 26.817 32.589 -40.160 1.00 31.28 ? 612 HOH A O 1 +HETATM 3902 O O . HOH H 6 . ? 31.412 13.984 -38.115 1.00 43.01 ? 613 HOH A O 1 +HETATM 3903 O O . HOH H 6 . ? 55.649 -1.503 -24.678 1.00 58.60 ? 614 HOH A O 1 +HETATM 3904 O O . HOH H 6 . ? 59.379 27.664 -34.329 1.00 32.92 ? 615 HOH A O 1 +HETATM 3905 O O . HOH H 6 . ? 56.073 1.652 -17.953 1.00 69.03 ? 616 HOH A O 1 +HETATM 3906 O O . HOH H 6 . ? 55.686 28.365 -32.157 1.00 40.52 ? 617 HOH A O 1 +HETATM 3907 O O . HOH H 6 . ? 45.347 41.886 -35.276 1.00 51.43 ? 618 HOH A O 1 +HETATM 3908 O O . HOH H 6 . ? 54.276 32.889 -46.149 1.00 47.09 ? 619 HOH A O 1 +HETATM 3909 O O . HOH H 6 . ? 22.565 33.040 -45.588 1.00 56.33 ? 620 HOH A O 1 +HETATM 3910 O O . HOH H 6 . ? 26.239 25.105 -17.944 1.00 71.24 ? 621 HOH A O 1 +HETATM 3911 O O . HOH H 6 . ? 37.246 19.549 -4.034 1.00 61.96 ? 622 HOH A O 1 +HETATM 3912 O O . HOH H 6 . ? 33.594 37.597 -45.854 1.00 43.12 ? 623 HOH A O 1 +HETATM 3913 O O . HOH H 6 . ? 22.425 23.158 -35.024 1.00 45.97 ? 624 HOH A O 1 +HETATM 3914 O O . HOH H 6 . ? 58.245 1.892 -48.456 1.00 72.48 ? 625 HOH A O 1 +HETATM 3915 O O . HOH H 6 . ? 55.065 26.348 -35.732 1.00 55.68 ? 626 HOH A O 1 +HETATM 3916 O O . HOH H 6 . ? 37.224 9.271 -24.059 1.00 43.36 ? 627 HOH A O 1 +HETATM 3917 O O . HOH H 6 . ? 45.064 29.083 -51.757 1.00 66.59 ? 628 HOH A O 1 +HETATM 3918 O O . HOH H 6 . ? 47.979 10.903 -15.713 1.00 69.04 ? 629 HOH A O 1 +HETATM 3919 O O . HOH H 6 . ? 54.620 3.164 -47.272 1.00 67.40 ? 630 HOH A O 1 +HETATM 3920 O O . HOH H 6 . ? 60.794 31.189 -41.371 1.00 36.08 ? 631 HOH A O 1 +HETATM 3921 O O . HOH H 6 . ? 27.750 23.414 -48.529 1.00 45.00 ? 632 HOH A O 1 +HETATM 3922 O O . HOH H 6 . ? 68.323 20.479 -41.056 1.00 57.09 ? 633 HOH A O 1 +HETATM 3923 O O . HOH H 6 . ? 69.898 8.887 -43.293 1.00 70.26 ? 634 HOH A O 1 +HETATM 3924 O O . HOH H 6 . ? 44.419 33.967 -12.508 1.00 36.91 ? 635 HOH A O 1 +HETATM 3925 O O . HOH H 6 . ? 64.477 16.063 -0.955 1.00 65.44 ? 636 HOH A O 1 +HETATM 3926 O O . HOH H 6 . ? 37.032 46.184 -49.911 1.00 56.43 ? 637 HOH A O 1 +HETATM 3927 O O . HOH H 6 . ? 41.938 44.366 -19.885 1.00 65.02 ? 638 HOH A O 1 +HETATM 3928 O O . HOH H 6 . ? 65.111 16.318 -50.309 1.00 44.04 ? 639 HOH A O 1 +HETATM 3929 O O . HOH H 6 . ? 43.344 44.827 -16.464 1.00 60.12 ? 640 HOH A O 1 +HETATM 3930 O O . HOH H 6 . ? 43.384 28.919 -48.706 1.00 43.83 ? 641 HOH A O 1 +HETATM 3931 O O . HOH H 6 . ? 43.633 25.625 -21.151 1.00 25.19 ? 642 HOH A O 1 +HETATM 3932 O O . HOH H 6 . ? 44.446 25.520 -23.902 1.00 29.90 ? 643 HOH A O 1 +HETATM 3933 O O . HOH H 6 . ? 43.740 30.563 -46.367 1.00 34.77 ? 644 HOH A O 1 +HETATM 3934 O O . HOH H 6 . ? 42.009 18.584 5.664 1.00 45.23 ? 645 HOH A O 1 +HETATM 3935 O O . HOH H 6 . ? 26.322 36.487 -52.604 1.00 58.99 ? 646 HOH A O 1 +HETATM 3936 O O . HOH H 6 . ? 39.495 24.324 -27.862 1.00 32.54 ? 647 HOH A O 1 +HETATM 3937 O O . HOH H 6 . ? 38.065 23.073 -25.696 1.00 36.57 ? 648 HOH A O 1 +HETATM 3938 O O . HOH H 6 . ? 46.894 35.637 -9.329 1.00 45.24 ? 649 HOH A O 1 +HETATM 3939 O O . HOH H 6 . ? 60.176 31.443 -5.599 1.00 70.57 ? 650 HOH A O 1 +HETATM 3940 O O . HOH H 6 . ? 40.021 28.130 -12.108 1.00 56.75 ? 651 HOH A O 1 +HETATM 3941 O O . HOH H 6 . ? 48.149 3.150 -42.912 1.00 58.55 ? 652 HOH A O 1 +HETATM 3942 O O . HOH H 6 . ? 57.031 25.634 -19.464 1.00 36.79 ? 653 HOH A O 1 +HETATM 3943 O O . HOH H 6 . ? 50.625 24.219 -17.396 1.00 39.89 ? 654 HOH A O 1 +HETATM 3944 O O . HOH H 6 . ? 49.986 30.222 -24.153 1.00 29.44 ? 655 HOH A O 1 +HETATM 3945 O O . HOH H 6 . ? 47.210 37.967 -25.968 1.00 45.41 ? 656 HOH A O 1 +HETATM 3946 O O . HOH H 6 . ? 34.860 29.206 -20.781 1.00 48.75 ? 657 HOH A O 1 +HETATM 3947 O O . HOH H 6 . ? 43.801 19.239 -18.939 1.00 44.30 ? 658 HOH A O 1 +HETATM 3948 O O . HOH H 6 . ? 42.535 11.467 -19.462 1.00 47.39 ? 659 HOH A O 1 +HETATM 3949 O O . HOH H 6 . ? 36.087 6.917 -20.074 1.00 41.49 ? 660 HOH A O 1 +HETATM 3950 O O . HOH H 6 . ? 50.499 21.495 -15.918 1.00 31.63 ? 661 HOH A O 1 +HETATM 3951 O O . HOH H 6 . ? 36.709 18.200 -35.376 1.00 46.04 ? 662 HOH A O 1 +HETATM 3952 O O . HOH H 6 . ? 73.474 14.905 -30.458 1.00 72.07 ? 663 HOH A O 1 +HETATM 3953 O O . HOH H 6 . ? 39.434 41.693 -21.126 1.00 45.44 ? 664 HOH A O 1 +HETATM 3954 O O . HOH H 6 . ? 38.134 44.558 -22.527 1.00 58.43 ? 665 HOH A O 1 +HETATM 3955 O O . HOH H 6 . ? 59.925 25.860 -45.356 1.00 41.12 ? 666 HOH A O 1 +HETATM 3956 O O . HOH H 6 . ? 30.964 29.104 -51.577 1.00 46.82 ? 667 HOH A O 1 +HETATM 3957 O O . HOH H 6 . ? 38.838 47.771 -23.682 1.00 86.35 ? 668 HOH A O 1 +HETATM 3958 O O . HOH H 6 . ? 34.725 7.509 -17.451 1.00 55.11 ? 669 HOH A O 1 +HETATM 3959 O O . HOH H 6 . ? 38.552 43.854 -51.010 1.00 69.64 ? 670 HOH A O 1 +HETATM 3960 O O . HOH H 6 . ? 35.903 47.411 -35.995 1.00 67.71 ? 671 HOH A O 1 +HETATM 3961 O O . HOH H 6 . ? 38.017 46.105 -37.720 1.00 66.95 ? 672 HOH A O 1 +HETATM 3962 O O . HOH H 6 . ? 74.772 23.786 -47.632 1.00 38.14 ? 673 HOH A O 1 +HETATM 3963 O O . HOH H 6 . ? 72.151 23.542 -49.328 1.00 56.27 ? 674 HOH A O 1 +HETATM 3964 O O . HOH H 6 . ? 53.319 10.514 -27.602 1.00 49.75 ? 675 HOH A O 1 +HETATM 3965 O O . HOH H 6 . ? 35.154 14.090 -18.030 1.00 58.63 ? 676 HOH A O 1 +HETATM 3966 O O . HOH H 6 . ? 26.641 29.131 -21.188 1.00 64.77 ? 677 HOH A O 1 +HETATM 3967 O O . HOH H 6 . ? 24.955 21.489 -29.342 1.00 66.70 ? 678 HOH A O 1 +HETATM 3968 O O . HOH H 6 . ? 23.673 21.885 -26.665 1.00 70.56 ? 679 HOH A O 1 +HETATM 3969 O O . HOH H 6 . ? 45.805 44.902 -34.704 1.00 55.95 ? 680 HOH A O 1 +HETATM 3970 O O . HOH H 6 . ? 69.124 11.956 -9.264 1.00 67.69 ? 681 HOH A O 1 +HETATM 3971 O O . HOH H 6 . ? 51.930 31.629 -1.279 1.00 58.28 ? 682 HOH A O 1 +HETATM 3972 O O . HOH H 6 . ? 39.016 7.658 -40.274 1.00 56.26 ? 683 HOH A O 1 +HETATM 3973 O O . HOH H 6 . ? 55.054 28.970 -38.106 1.00 42.74 ? 684 HOH A O 1 +# +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.ndb_seq_num +_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 +_pdbx_poly_seq_scheme.hetero +A 1 1 MET 1 19 ? ? ? A . n +A 1 2 ALA 2 20 ? ? ? A . n +A 1 3 LYS 3 21 ? ? ? A . n +A 1 4 LYS 4 22 ? ? ? A . n +A 1 5 THR 5 23 ? ? ? A . n +A 1 6 SER 6 24 ? ? ? A . n +A 1 7 SER 7 25 ? ? ? A . n +A 1 8 LYS 8 26 ? ? ? A . n +A 1 9 GLY 9 27 ? ? ? A . n +A 1 10 LYS 10 28 28 LYS LYS A . n +A 1 11 LEU 11 29 29 LEU LEU A . n +A 1 12 PRO 12 30 30 PRO PRO A . n +A 1 13 PRO 13 31 31 PRO PRO A . n +A 1 14 GLY 14 32 32 GLY GLY A . n +A 1 15 PRO 15 33 33 PRO PRO A . n +A 1 16 THR 16 34 34 THR THR A . n +A 1 17 PRO 17 35 35 PRO PRO A . n +A 1 18 LEU 18 36 36 LEU LEU A . n +A 1 19 PRO 19 37 37 PRO PRO A . n +A 1 20 ILE 20 38 38 ILE ILE A . n +A 1 21 ILE 21 39 39 ILE ILE A . n +A 1 22 GLY 22 40 40 GLY GLY A . n +A 1 23 ASN 23 41 41 ASN ASN A . n +A 1 24 MET 24 42 42 MET MET A . n +A 1 25 LEU 25 43 43 LEU LEU A . n +A 1 26 GLN 26 44 44 GLN GLN A . n +A 1 27 ILE 27 45 45 ILE ILE A . n +A 1 28 ASP 28 46 46 ASP ASP A . n +A 1 29 VAL 29 47 47 VAL VAL A . n +A 1 30 LYS 30 48 48 LYS LYS A . n +A 1 31 ASP 31 49 49 ASP ASP A . n +A 1 32 ILE 32 50 50 ILE ILE A . n +A 1 33 CYS 33 51 51 CYS CYS A . n +A 1 34 LYS 34 52 52 LYS LYS A . n +A 1 35 SER 35 53 53 SER SER A . n +A 1 36 PHE 36 54 54 PHE PHE A . n +A 1 37 THR 37 55 55 THR THR A . n +A 1 38 ASN 38 56 56 ASN ASN A . n +A 1 39 PHE 39 57 57 PHE PHE A . n +A 1 40 SER 40 58 58 SER SER A . n +A 1 41 LYS 41 59 59 LYS LYS A . n +A 1 42 VAL 42 60 60 VAL VAL A . n +A 1 43 TYR 43 61 61 TYR TYR A . n +A 1 44 GLY 44 62 62 GLY GLY A . n +A 1 45 PRO 45 63 63 PRO PRO A . n +A 1 46 VAL 46 64 64 VAL VAL A . n +A 1 47 PHE 47 65 65 PHE PHE A . n +A 1 48 THR 48 66 66 THR THR A . n +A 1 49 VAL 49 67 67 VAL VAL A . n +A 1 50 TYR 50 68 68 TYR TYR A . n +A 1 51 PHE 51 69 69 PHE PHE A . n +A 1 52 GLY 52 70 70 GLY GLY A . n +A 1 53 MET 53 71 71 MET MET A . n +A 1 54 ASN 54 72 72 ASN ASN A . n +A 1 55 PRO 55 73 73 PRO PRO A . n +A 1 56 ILE 56 74 74 ILE ILE A . n +A 1 57 VAL 57 75 75 VAL VAL A . n +A 1 58 VAL 58 76 76 VAL VAL A . n +A 1 59 PHE 59 77 77 PHE PHE A . n +A 1 60 HIS 60 78 78 HIS HIS A . n +A 1 61 GLY 61 79 79 GLY GLY A . n +A 1 62 TYR 62 80 80 TYR TYR A . n +A 1 63 GLU 63 81 81 GLU GLU A . n +A 1 64 ALA 64 82 82 ALA ALA A . n +A 1 65 VAL 65 83 83 VAL VAL A . n +A 1 66 LYS 66 84 84 LYS LYS A . n +A 1 67 GLU 67 85 85 GLU GLU A . n +A 1 68 ALA 68 86 86 ALA ALA A . n +A 1 69 LEU 69 87 87 LEU LEU A . n +A 1 70 ILE 70 88 88 ILE ILE A . n +A 1 71 ASP 71 89 89 ASP ASP A . n +A 1 72 ASN 72 90 90 ASN ASN A . n +A 1 73 GLY 73 91 91 GLY GLY A . n +A 1 74 GLU 74 92 92 GLU GLU A . n +A 1 75 GLU 75 93 93 GLU GLU A . n +A 1 76 PHE 76 94 94 PHE PHE A . n +A 1 77 SER 77 95 95 SER SER A . n +A 1 78 GLY 78 96 96 GLY GLY A . n +A 1 79 ARG 79 97 97 ARG ARG A . n +A 1 80 GLY 80 98 98 GLY GLY A . n +A 1 81 ASN 81 99 99 ASN ASN A . n +A 1 82 SER 82 100 100 SER SER A . n +A 1 83 PRO 83 101 101 PRO PRO A . n +A 1 84 ILE 84 102 102 ILE ILE A . n +A 1 85 SER 85 103 103 SER SER A . n +A 1 86 GLN 86 104 104 GLN GLN A . n +A 1 87 ARG 87 105 105 ARG ARG A . n +A 1 88 ILE 88 106 106 ILE ILE A . n +A 1 89 THR 89 107 107 THR THR A . n +A 1 90 LYS 90 108 108 LYS LYS A . n +A 1 91 GLY 91 109 109 GLY GLY A . n +A 1 92 LEU 92 110 110 LEU LEU A . n +A 1 93 GLY 93 111 111 GLY GLY A . n +A 1 94 ILE 94 112 112 ILE ILE A . n +A 1 95 ILE 95 113 113 ILE ILE A . n +A 1 96 SER 96 114 114 SER SER A . n +A 1 97 SER 97 115 115 SER SER A . n +A 1 98 ASN 98 116 116 ASN ASN A . n +A 1 99 GLY 99 117 117 GLY GLY A . n +A 1 100 LYS 100 118 118 LYS LYS A . n +A 1 101 ARG 101 119 119 ARG ARG A . n +A 1 102 TRP 102 120 120 TRP TRP A . n +A 1 103 LYS 103 121 121 LYS LYS A . n +A 1 104 GLU 104 122 122 GLU GLU A . n +A 1 105 ILE 105 123 123 ILE ILE A . n +A 1 106 ARG 106 124 124 ARG ARG A . n +A 1 107 ARG 107 125 125 ARG ARG A . n +A 1 108 PHE 108 126 126 PHE PHE A . n +A 1 109 SER 109 127 127 SER SER A . n +A 1 110 LEU 110 128 128 LEU LEU A . n +A 1 111 THR 111 129 129 THR THR A . n +A 1 112 THR 112 130 130 THR THR A . n +A 1 113 LEU 113 131 131 LEU LEU A . n +A 1 114 ARG 114 132 132 ARG ARG A . n +A 1 115 ASN 115 133 133 ASN ASN A . n +A 1 116 PHE 116 134 134 PHE PHE A . n +A 1 117 GLY 117 135 135 GLY GLY A . n +A 1 118 MET 118 136 136 MET MET A . n +A 1 119 GLY 119 137 137 GLY GLY A . n +A 1 120 LYS 120 138 138 LYS LYS A . n +A 1 121 ARG 121 139 139 ARG ARG A . n +A 1 122 SER 122 140 140 SER SER A . n +A 1 123 ILE 123 141 141 ILE ILE A . n +A 1 124 GLU 124 142 142 GLU GLU A . n +A 1 125 ASP 125 143 143 ASP ASP A . n +A 1 126 ARG 126 144 144 ARG ARG A . n +A 1 127 VAL 127 145 145 VAL VAL A . n +A 1 128 GLN 128 146 146 GLN GLN A . n +A 1 129 GLU 129 147 147 GLU GLU A . n +A 1 130 GLU 130 148 148 GLU GLU A . n +A 1 131 ALA 131 149 149 ALA ALA A . n +A 1 132 HIS 132 150 150 HIS HIS A . n +A 1 133 CYS 133 151 151 CYS CYS A . n +A 1 134 LEU 134 152 152 LEU LEU A . n +A 1 135 VAL 135 153 153 VAL VAL A . n +A 1 136 GLU 136 154 154 GLU GLU A . n +A 1 137 GLU 137 155 155 GLU GLU A . n +A 1 138 LEU 138 156 156 LEU LEU A . n +A 1 139 ARG 139 157 157 ARG ARG A . n +A 1 140 LYS 140 158 158 LYS LYS A . n +A 1 141 THR 141 159 159 THR THR A . n +A 1 142 LYS 142 160 160 LYS LYS A . n +A 1 143 ALA 143 161 161 ALA ALA A . n +A 1 144 SER 144 162 162 SER SER A . n +A 1 145 PRO 145 163 163 PRO PRO A . n +A 1 146 CYS 146 164 164 CYS CYS A . n +A 1 147 ASP 147 165 165 ASP ASP A . n +A 1 148 PRO 148 166 166 PRO PRO A . n +A 1 149 THR 149 167 167 THR THR A . n +A 1 150 PHE 150 168 168 PHE PHE A . n +A 1 151 ILE 151 169 169 ILE ILE A . n +A 1 152 LEU 152 170 170 LEU LEU A . n +A 1 153 GLY 153 171 171 GLY GLY A . n +A 1 154 CYS 154 172 172 CYS CYS A . n +A 1 155 ALA 155 173 173 ALA ALA A . n +A 1 156 PRO 156 174 174 PRO PRO A . n +A 1 157 CYS 157 175 175 CYS CYS A . n +A 1 158 ASN 158 176 176 ASN ASN A . n +A 1 159 VAL 159 177 177 VAL VAL A . n +A 1 160 ILE 160 178 178 ILE ILE A . n +A 1 161 CYS 161 179 179 CYS CYS A . n +A 1 162 SER 162 180 180 SER SER A . n +A 1 163 VAL 163 181 181 VAL VAL A . n +A 1 164 VAL 164 182 182 VAL VAL A . n +A 1 165 PHE 165 183 183 PHE PHE A . n +A 1 166 GLN 166 184 184 GLN GLN A . n +A 1 167 LYS 167 185 185 LYS LYS A . n +A 1 168 ARG 168 186 186 ARG ARG A . n +A 1 169 PHE 169 187 187 PHE PHE A . n +A 1 170 ASP 170 188 188 ASP ASP A . n +A 1 171 TYR 171 189 189 TYR TYR A . n +A 1 172 LYS 172 190 190 LYS LYS A . n +A 1 173 ASP 173 191 191 ASP ASP A . n +A 1 174 GLN 174 192 192 GLN GLN A . n +A 1 175 ASN 175 193 193 ASN ASN A . n +A 1 176 PHE 176 194 194 PHE PHE A . n +A 1 177 LEU 177 195 195 LEU LEU A . n +A 1 178 THR 178 196 196 THR THR A . n +A 1 179 LEU 179 197 197 LEU LEU A . n +A 1 180 MET 180 198 198 MET MET A . n +A 1 181 LYS 181 199 199 LYS LYS A . n +A 1 182 ARG 182 200 200 ARG ARG A . n +A 1 183 PHE 183 201 201 PHE PHE A . n +A 1 184 ASN 184 202 202 ASN ASN A . n +A 1 185 GLU 185 203 203 GLU GLU A . n +A 1 186 ASN 186 204 204 ASN ASN A . n +A 1 187 PHE 187 205 205 PHE PHE A . n +A 1 188 ARG 188 206 206 ARG ARG A . n +A 1 189 ILE 189 207 207 ILE ILE A . n +A 1 190 LEU 190 208 208 LEU LEU A . n +A 1 191 ASN 191 209 209 ASN ASN A . n +A 1 192 SER 192 210 210 SER SER A . n +A 1 193 PRO 193 211 211 PRO PRO A . n +A 1 194 TRP 194 212 212 TRP TRP A . n +A 1 195 ILE 195 213 213 ILE ILE A . n +A 1 196 GLN 196 214 214 GLN GLN A . n +A 1 197 VAL 197 215 215 VAL VAL A . n +A 1 198 CYS 198 216 216 CYS CYS A . n +A 1 199 ASN 199 217 217 ASN ASN A . n +A 1 200 ASN 200 218 218 ASN ASN A . n +A 1 201 PHE 201 219 219 PHE PHE A . n +A 1 202 PRO 202 220 220 PRO PRO A . n +A 1 203 LEU 203 221 221 LEU LEU A . n +A 1 204 LEU 204 222 222 LEU LEU A . n +A 1 205 ILE 205 223 223 ILE ILE A . n +A 1 206 ASP 206 224 224 ASP ASP A . n +A 1 207 CYS 207 225 225 CYS CYS A . n +A 1 208 PHE 208 226 226 PHE PHE A . n +A 1 209 PRO 209 227 227 PRO PRO A . n +A 1 210 GLY 210 228 228 GLY GLY A . n +A 1 211 THR 211 229 229 THR THR A . n +A 1 212 HIS 212 230 230 HIS HIS A . n +A 1 213 ASN 213 231 231 ASN ASN A . n +A 1 214 LYS 214 232 232 LYS LYS A . n +A 1 215 VAL 215 233 233 VAL VAL A . n +A 1 216 LEU 216 234 234 LEU LEU A . n +A 1 217 LYS 217 235 235 LYS LYS A . n +A 1 218 ASN 218 236 236 ASN ASN A . n +A 1 219 VAL 219 237 237 VAL VAL A . n +A 1 220 ALA 220 238 238 ALA ALA A . n +A 1 221 LEU 221 239 239 LEU LEU A . n +A 1 222 THR 222 240 240 THR THR A . n +A 1 223 ARG 223 241 241 ARG ARG A . n +A 1 224 SER 224 242 242 SER SER A . n +A 1 225 TYR 225 243 243 TYR TYR A . n +A 1 226 ILE 226 244 244 ILE ILE A . n +A 1 227 ARG 227 245 245 ARG ARG A . n +A 1 228 GLU 228 246 246 GLU GLU A . n +A 1 229 LYS 229 247 247 LYS LYS A . n +A 1 230 VAL 230 248 248 VAL VAL A . n +A 1 231 LYS 231 249 249 LYS LYS A . n +A 1 232 GLU 232 250 250 GLU GLU A . n +A 1 233 HIS 233 251 251 HIS HIS A . n +A 1 234 GLN 234 252 252 GLN GLN A . n +A 1 235 ALA 235 253 253 ALA ALA A . n +A 1 236 SER 236 254 254 SER SER A . n +A 1 237 LEU 237 255 255 LEU LEU A . n +A 1 238 ASP 238 256 256 ASP ASP A . n +A 1 239 VAL 239 257 257 VAL VAL A . n +A 1 240 ASN 240 258 258 ASN ASN A . n +A 1 241 ASN 241 259 259 ASN ASN A . n +A 1 242 PRO 242 260 260 PRO PRO A . n +A 1 243 ARG 243 261 261 ARG ARG A . n +A 1 244 ASP 244 262 262 ASP ASP A . n +A 1 245 PHE 245 263 263 PHE PHE A . n +A 1 246 ILE 246 264 264 ILE ILE A . n +A 1 247 ASP 247 265 265 ASP ASP A . n +A 1 248 CYS 248 266 266 CYS CYS A . n +A 1 249 PHE 249 267 267 PHE PHE A . n +A 1 250 LEU 250 268 268 LEU LEU A . n +A 1 251 ILE 251 269 269 ILE ILE A . n +A 1 252 LYS 252 270 270 LYS LYS A . n +A 1 253 MET 253 271 271 MET MET A . n +A 1 254 GLU 254 272 272 GLU GLU A . n +A 1 255 GLN 255 273 273 GLN GLN A . n +A 1 256 GLU 256 274 274 GLU GLU A . n +A 1 257 LYS 257 275 275 LYS LYS A . n +A 1 258 ASP 258 276 276 ASP ASP A . n +A 1 259 ASN 259 277 277 ASN ASN A . n +A 1 260 GLN 260 278 278 GLN GLN A . n +A 1 261 LYS 261 279 279 LYS LYS A . n +A 1 262 SER 262 280 280 SER SER A . n +A 1 263 GLU 263 281 281 GLU GLU A . n +A 1 264 PHE 264 282 282 PHE PHE A . n +A 1 265 ASN 265 283 283 ASN ASN A . n +A 1 266 ILE 266 284 284 ILE ILE A . n +A 1 267 GLU 267 285 285 GLU GLU A . n +A 1 268 ASN 268 286 286 ASN ASN A . n +A 1 269 LEU 269 287 287 LEU LEU A . n +A 1 270 VAL 270 288 288 VAL VAL A . n +A 1 271 GLY 271 289 289 GLY GLY A . n +A 1 272 THR 272 290 290 THR THR A . n +A 1 273 VAL 273 291 291 VAL VAL A . n +A 1 274 ALA 274 292 292 ALA ALA A . n +A 1 275 ASP 275 293 293 ASP ASP A . n +A 1 276 LEU 276 294 294 LEU LEU A . n +A 1 277 PHE 277 295 295 PHE PHE A . n +A 1 278 VAL 278 296 296 VAL VAL A . n +A 1 279 ALA 279 297 297 ALA ALA A . n +A 1 280 GLY 280 298 298 GLY GLY A . n +A 1 281 THR 281 299 299 THR THR A . n +A 1 282 GLU 282 300 300 GLU GLU A . n +A 1 283 THR 283 301 301 THR THR A . n +A 1 284 THR 284 302 302 THR THR A . n +A 1 285 SER 285 303 303 SER SER A . n +A 1 286 THR 286 304 304 THR THR A . n +A 1 287 THR 287 305 305 THR THR A . n +A 1 288 LEU 288 306 306 LEU LEU A . n +A 1 289 ARG 289 307 307 ARG ARG A . n +A 1 290 TYR 290 308 308 TYR TYR A . n +A 1 291 GLY 291 309 309 GLY GLY A . n +A 1 292 LEU 292 310 310 LEU LEU A . n +A 1 293 LEU 293 311 311 LEU LEU A . n +A 1 294 LEU 294 312 312 LEU LEU A . n +A 1 295 LEU 295 313 313 LEU LEU A . n +A 1 296 LEU 296 314 314 LEU LEU A . n +A 1 297 LYS 297 315 315 LYS LYS A . n +A 1 298 HIS 298 316 316 HIS HIS A . n +A 1 299 PRO 299 317 317 PRO PRO A . n +A 1 300 GLU 300 318 318 GLU GLU A . n +A 1 301 VAL 301 319 319 VAL VAL A . n +A 1 302 THR 302 320 320 THR THR A . n +A 1 303 ALA 303 321 321 ALA ALA A . n +A 1 304 LYS 304 322 322 LYS LYS A . n +A 1 305 VAL 305 323 323 VAL VAL A . n +A 1 306 GLN 306 324 324 GLN GLN A . n +A 1 307 GLU 307 325 325 GLU GLU A . n +A 1 308 GLU 308 326 326 GLU GLU A . n +A 1 309 ILE 309 327 327 ILE ILE A . n +A 1 310 ASP 310 328 328 ASP ASP A . n +A 1 311 HIS 311 329 329 HIS HIS A . n +A 1 312 VAL 312 330 330 VAL VAL A . n +A 1 313 ILE 313 331 331 ILE ILE A . n +A 1 314 GLY 314 332 332 GLY GLY A . n +A 1 315 ARG 315 333 333 ARG ARG A . n +A 1 316 HIS 316 334 334 HIS HIS A . n +A 1 317 ARG 317 335 335 ARG ARG A . n +A 1 318 SER 318 336 336 SER SER A . n +A 1 319 PRO 319 337 337 PRO PRO A . n +A 1 320 CYS 320 338 338 CYS CYS A . n +A 1 321 MET 321 339 339 MET MET A . n +A 1 322 GLN 322 340 340 GLN GLN A . n +A 1 323 ASP 323 341 341 ASP ASP A . n +A 1 324 ARG 324 342 342 ARG ARG A . n +A 1 325 SER 325 343 343 SER SER A . n +A 1 326 HIS 326 344 344 HIS HIS A . n +A 1 327 MET 327 345 345 MET MET A . n +A 1 328 PRO 328 346 346 PRO PRO A . n +A 1 329 TYR 329 347 347 TYR TYR A . n +A 1 330 THR 330 348 348 THR THR A . n +A 1 331 ASP 331 349 349 ASP ASP A . n +A 1 332 ALA 332 350 350 ALA ALA A . n +A 1 333 VAL 333 351 351 VAL VAL A . n +A 1 334 VAL 334 352 352 VAL VAL A . n +A 1 335 HIS 335 353 353 HIS HIS A . n +A 1 336 GLU 336 354 354 GLU GLU A . n +A 1 337 ILE 337 355 355 ILE ILE A . n +A 1 338 GLN 338 356 356 GLN GLN A . n +A 1 339 ARG 339 357 357 ARG ARG A . n +A 1 340 TYR 340 358 358 TYR TYR A . n +A 1 341 SER 341 359 359 SER SER A . n +A 1 342 ASP 342 360 360 ASP ASP A . n +A 1 343 LEU 343 361 361 LEU LEU A . n +A 1 344 VAL 344 362 362 VAL VAL A . n +A 1 345 PRO 345 363 363 PRO PRO A . n +A 1 346 THR 346 364 364 THR THR A . n +A 1 347 GLY 347 365 365 GLY GLY A . n +A 1 348 VAL 348 366 366 VAL VAL A . n +A 1 349 PRO 349 367 367 PRO PRO A . n +A 1 350 HIS 350 368 368 HIS HIS A . n +A 1 351 ALA 351 369 369 ALA ALA A . n +A 1 352 VAL 352 370 370 VAL VAL A . n +A 1 353 THR 353 371 371 THR THR A . n +A 1 354 THR 354 372 372 THR THR A . n +A 1 355 ASP 355 373 373 ASP ASP A . n +A 1 356 THR 356 374 374 THR THR A . n +A 1 357 LYS 357 375 375 LYS LYS A . n +A 1 358 PHE 358 376 376 PHE PHE A . n +A 1 359 ARG 359 377 377 ARG ARG A . n +A 1 360 ASN 360 378 378 ASN ASN A . n +A 1 361 TYR 361 379 379 TYR TYR A . n +A 1 362 LEU 362 380 380 LEU LEU A . n +A 1 363 ILE 363 381 381 ILE ILE A . n +A 1 364 PRO 364 382 382 PRO PRO A . n +A 1 365 LYS 365 383 383 LYS LYS A . n +A 1 366 GLY 366 384 384 GLY GLY A . n +A 1 367 THR 367 385 385 THR THR A . n +A 1 368 THR 368 386 386 THR THR A . n +A 1 369 ILE 369 387 387 ILE ILE A . n +A 1 370 MET 370 388 388 MET MET A . n +A 1 371 ALA 371 389 389 ALA ALA A . n +A 1 372 LEU 372 390 390 LEU LEU A . n +A 1 373 LEU 373 391 391 LEU LEU A . n +A 1 374 THR 374 392 392 THR THR A . n +A 1 375 SER 375 393 393 SER SER A . n +A 1 376 VAL 376 394 394 VAL VAL A . n +A 1 377 LEU 377 395 395 LEU LEU A . n +A 1 378 HIS 378 396 396 HIS HIS A . n +A 1 379 ASP 379 397 397 ASP ASP A . n +A 1 380 ASP 380 398 398 ASP ASP A . n +A 1 381 LYS 381 399 399 LYS LYS A . n +A 1 382 GLU 382 400 400 GLU GLU A . n +A 1 383 PHE 383 401 401 PHE PHE A . n +A 1 384 PRO 384 402 402 PRO PRO A . n +A 1 385 ASN 385 403 403 ASN ASN A . n +A 1 386 PRO 386 404 404 PRO PRO A . n +A 1 387 ASN 387 405 405 ASN ASN A . n +A 1 388 ILE 388 406 406 ILE ILE A . n +A 1 389 PHE 389 407 407 PHE PHE A . n +A 1 390 ASP 390 408 408 ASP ASP A . n +A 1 391 PRO 391 409 409 PRO PRO A . n +A 1 392 GLY 392 410 410 GLY GLY A . n +A 1 393 HIS 393 411 411 HIS HIS A . n +A 1 394 PHE 394 412 412 PHE PHE A . n +A 1 395 LEU 395 413 413 LEU LEU A . n +A 1 396 ASP 396 414 414 ASP ASP A . n +A 1 397 LYS 397 415 415 LYS LYS A . n +A 1 398 ASN 398 416 416 ASN ASN A . n +A 1 399 GLY 399 417 417 GLY GLY A . n +A 1 400 ASN 400 418 418 ASN ASN A . n +A 1 401 PHE 401 419 419 PHE PHE A . n +A 1 402 LYS 402 420 420 LYS LYS A . n +A 1 403 LYS 403 421 421 LYS LYS A . n +A 1 404 SER 404 422 422 SER SER A . n +A 1 405 ASP 405 423 423 ASP ASP A . n +A 1 406 TYR 406 424 424 TYR TYR A . n +A 1 407 PHE 407 425 425 PHE PHE A . n +A 1 408 MET 408 426 426 MET MET A . n +A 1 409 PRO 409 427 427 PRO PRO A . n +A 1 410 PHE 410 428 428 PHE PHE A . n +A 1 411 SER 411 429 429 SER SER A . n +A 1 412 ALA 412 430 430 ALA ALA A . n +A 1 413 GLY 413 431 431 GLY GLY A . n +A 1 414 LYS 414 432 432 LYS LYS A . n +A 1 415 ARG 415 433 433 ARG ARG A . n +A 1 416 ILE 416 434 434 ILE ILE A . n +A 1 417 CYS 417 435 435 CYS CYS A . n +A 1 418 ALA 418 436 436 ALA ALA A . n +A 1 419 GLY 419 437 437 GLY GLY A . n +A 1 420 GLU 420 438 438 GLU GLU A . n +A 1 421 GLY 421 439 439 GLY GLY A . n +A 1 422 LEU 422 440 440 LEU LEU A . n +A 1 423 ALA 423 441 441 ALA ALA A . n +A 1 424 ARG 424 442 442 ARG ARG A . n +A 1 425 MET 425 443 443 MET MET A . n +A 1 426 GLU 426 444 444 GLU GLU A . n +A 1 427 LEU 427 445 445 LEU LEU A . n +A 1 428 PHE 428 446 446 PHE PHE A . n +A 1 429 LEU 429 447 447 LEU LEU A . n +A 1 430 PHE 430 448 448 PHE PHE A . n +A 1 431 LEU 431 449 449 LEU LEU A . n +A 1 432 THR 432 450 450 THR THR A . n +A 1 433 THR 433 451 451 THR THR A . n +A 1 434 ILE 434 452 452 ILE ILE A . n +A 1 435 LEU 435 453 453 LEU LEU A . n +A 1 436 GLN 436 454 454 GLN GLN A . n +A 1 437 ASN 437 455 455 ASN ASN A . n +A 1 438 PHE 438 456 456 PHE PHE A . n +A 1 439 ASN 439 457 457 ASN ASN A . n +A 1 440 LEU 440 458 458 LEU LEU A . n +A 1 441 LYS 441 459 459 LYS LYS A . n +A 1 442 SER 442 460 460 SER SER A . n +A 1 443 VAL 443 461 461 VAL VAL A . n +A 1 444 ASP 444 462 462 ASP ASP A . n +A 1 445 ASP 445 463 463 ASP ASP A . n +A 1 446 LEU 446 464 464 LEU LEU A . n +A 1 447 LYS 447 465 465 LYS LYS A . n +A 1 448 ASN 448 466 466 ASN ASN A . n +A 1 449 LEU 449 467 467 LEU LEU A . n +A 1 450 ASN 450 468 468 ASN ASN A . n +A 1 451 THR 451 469 469 THR THR A . n +A 1 452 THR 452 470 470 THR THR A . n +A 1 453 ALA 453 471 471 ALA ALA A . n +A 1 454 VAL 454 472 472 VAL VAL A . n +A 1 455 THR 455 473 473 THR THR A . n +A 1 456 LYS 456 474 474 LYS LYS A . n +A 1 457 GLY 457 475 475 GLY GLY A . n +A 1 458 ILE 458 476 476 ILE ILE A . n +A 1 459 VAL 459 477 477 VAL VAL A . n +A 1 460 SER 460 478 478 SER SER A . n +A 1 461 LEU 461 479 479 LEU LEU A . n +A 1 462 PRO 462 480 480 PRO PRO A . n +A 1 463 PRO 463 481 481 PRO PRO A . n +A 1 464 SER 464 482 482 SER SER A . n +A 1 465 TYR 465 483 483 TYR TYR A . n +A 1 466 GLN 466 484 484 GLN GLN A . n +A 1 467 ILE 467 485 485 ILE ILE A . n +A 1 468 CYS 468 486 486 CYS CYS A . n +A 1 469 PHE 469 487 487 PHE PHE A . n +A 1 470 ILE 470 488 488 ILE ILE A . n +A 1 471 PRO 471 489 489 PRO PRO A . n +A 1 472 VAL 472 490 490 VAL VAL A . n +A 1 473 HIS 473 491 ? ? ? A . n +A 1 474 HIS 474 492 ? ? ? A . n +A 1 475 HIS 475 493 ? ? ? A . n +A 1 476 HIS 476 494 ? ? ? A . n +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details monomeric +_pdbx_struct_assembly.oligomeric_count 1 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +loop_ +_pdbx_struct_conn_angle.id +_pdbx_struct_conn_angle.ptnr1_label_atom_id +_pdbx_struct_conn_angle.ptnr1_label_alt_id +_pdbx_struct_conn_angle.ptnr1_label_asym_id +_pdbx_struct_conn_angle.ptnr1_label_comp_id +_pdbx_struct_conn_angle.ptnr1_label_seq_id +_pdbx_struct_conn_angle.ptnr1_auth_atom_id +_pdbx_struct_conn_angle.ptnr1_auth_asym_id +_pdbx_struct_conn_angle.ptnr1_auth_comp_id +_pdbx_struct_conn_angle.ptnr1_auth_seq_id +_pdbx_struct_conn_angle.ptnr1_PDB_ins_code +_pdbx_struct_conn_angle.ptnr1_symmetry +_pdbx_struct_conn_angle.ptnr2_label_atom_id +_pdbx_struct_conn_angle.ptnr2_label_alt_id +_pdbx_struct_conn_angle.ptnr2_label_asym_id +_pdbx_struct_conn_angle.ptnr2_label_comp_id +_pdbx_struct_conn_angle.ptnr2_label_seq_id +_pdbx_struct_conn_angle.ptnr2_auth_atom_id +_pdbx_struct_conn_angle.ptnr2_auth_asym_id +_pdbx_struct_conn_angle.ptnr2_auth_comp_id +_pdbx_struct_conn_angle.ptnr2_auth_seq_id +_pdbx_struct_conn_angle.ptnr2_PDB_ins_code +_pdbx_struct_conn_angle.ptnr2_symmetry +_pdbx_struct_conn_angle.ptnr3_label_atom_id +_pdbx_struct_conn_angle.ptnr3_label_alt_id +_pdbx_struct_conn_angle.ptnr3_label_asym_id +_pdbx_struct_conn_angle.ptnr3_label_comp_id +_pdbx_struct_conn_angle.ptnr3_label_seq_id +_pdbx_struct_conn_angle.ptnr3_auth_atom_id +_pdbx_struct_conn_angle.ptnr3_auth_asym_id +_pdbx_struct_conn_angle.ptnr3_auth_comp_id +_pdbx_struct_conn_angle.ptnr3_auth_seq_id +_pdbx_struct_conn_angle.ptnr3_PDB_ins_code +_pdbx_struct_conn_angle.ptnr3_symmetry +_pdbx_struct_conn_angle.value +_pdbx_struct_conn_angle.value_esd +1 SG ? A CYS 417 ? A CYS 435 ? 1_555 FE ? E HEM . ? A HEM 500 ? 1_555 NA ? E HEM . ? A HEM 500 ? 1_555 98.3 ? +2 SG ? A CYS 417 ? A CYS 435 ? 1_555 FE ? E HEM . ? A HEM 500 ? 1_555 NB ? E HEM . ? A HEM 500 ? 1_555 93.7 ? +3 NA ? E HEM . ? A HEM 500 ? 1_555 FE ? E HEM . ? A HEM 500 ? 1_555 NB ? E HEM . ? A HEM 500 ? 1_555 88.6 ? +4 SG ? A CYS 417 ? A CYS 435 ? 1_555 FE ? E HEM . ? A HEM 500 ? 1_555 NC ? E HEM . ? A HEM 500 ? 1_555 86.1 ? +5 NA ? E HEM . ? A HEM 500 ? 1_555 FE ? E HEM . ? A HEM 500 ? 1_555 NC ? E HEM . ? A HEM 500 ? 1_555 175.6 ? +6 NB ? E HEM . ? A HEM 500 ? 1_555 FE ? E HEM . ? A HEM 500 ? 1_555 NC ? E HEM . ? A HEM 500 ? 1_555 91.0 ? +7 SG ? A CYS 417 ? A CYS 435 ? 1_555 FE ? E HEM . ? A HEM 500 ? 1_555 ND ? E HEM . ? A HEM 500 ? 1_555 93.7 ? +8 NA ? E HEM . ? A HEM 500 ? 1_555 FE ? E HEM . ? A HEM 500 ? 1_555 ND ? E HEM . ? A HEM 500 ? 1_555 90.7 ? +9 NB ? E HEM . ? A HEM 500 ? 1_555 FE ? E HEM . ? A HEM 500 ? 1_555 ND ? E HEM . ? A HEM 500 ? 1_555 172.6 ? +10 NC ? E HEM . ? A HEM 500 ? 1_555 FE ? E HEM . ? A HEM 500 ? 1_555 ND ? E HEM . ? A HEM 500 ? 1_555 89.1 ? +# +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 2007-10-23 +2 'Structure model' 1 1 2011-07-13 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +# +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' 'Non-polymer description' +2 2 'Structure model' 'Version format compliance' +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +Blu-Ice 'data collection' . ? 1 +MOLREP phasing . ? 2 +CNS refinement . ? 3 +MOSFLM 'data reduction' . ? 4 +SCALA 'data scaling' . ? 5 +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 ASP A 49 ? ? -153.40 68.42 +2 1 MET A 136 ? ? -142.26 45.32 +3 1 GLN A 184 ? ? 71.66 -52.62 +4 1 SER A 254 ? ? -154.58 17.30 +5 1 ARG A 377 ? ? 55.84 -123.24 +6 1 SER A 429 ? ? 76.48 -165.33 +7 1 CYS A 435 ? ? -32.82 122.72 +8 1 ILE A 476 ? ? 91.76 -45.65 +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 1 Y 1 A MET 19 ? A MET 1 +2 1 Y 1 A ALA 20 ? A ALA 2 +3 1 Y 1 A LYS 21 ? A LYS 3 +4 1 Y 1 A LYS 22 ? A LYS 4 +5 1 Y 1 A THR 23 ? A THR 5 +6 1 Y 1 A SER 24 ? A SER 6 +7 1 Y 1 A SER 25 ? A SER 7 +8 1 Y 1 A LYS 26 ? A LYS 8 +9 1 Y 1 A GLY 27 ? A GLY 9 +10 1 Y 1 A HIS 491 ? A HIS 473 +11 1 Y 1 A HIS 492 ? A HIS 474 +12 1 Y 1 A HIS 493 ? A HIS 475 +13 1 Y 1 A HIS 494 ? A HIS 476 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +2 'SULFATE ION' SO4 +3 'PROTOPORPHYRIN IX CONTAINING FE' HEM +4 FELODIPINE 225 +5 'PALMITIC ACID' PLM +6 water HOH +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 SO4 1 503 503 SO4 SO4 A . +C 2 SO4 1 504 504 SO4 SO4 A . +D 2 SO4 1 505 505 SO4 SO4 A . +E 3 HEM 1 500 500 HEM HEM A . +F 4 225 1 501 501 225 225 A . +G 5 PLM 1 502 502 PLM PLM A . +H 6 HOH 1 506 506 HOH HOH A . +H 6 HOH 2 507 507 HOH HOH A . +H 6 HOH 3 508 508 HOH HOH A . +H 6 HOH 4 509 509 HOH HOH A . +H 6 HOH 5 510 510 HOH HOH A . +H 6 HOH 6 511 511 HOH HOH A . +H 6 HOH 7 512 512 HOH HOH A . +H 6 HOH 8 513 513 HOH HOH A . +H 6 HOH 9 514 514 HOH HOH A . +H 6 HOH 10 515 515 HOH HOH A . +H 6 HOH 11 516 516 HOH HOH A . +H 6 HOH 12 517 517 HOH HOH A . +H 6 HOH 13 518 518 HOH HOH A . +H 6 HOH 14 519 519 HOH HOH A . +H 6 HOH 15 520 520 HOH HOH A . +H 6 HOH 16 521 521 HOH HOH A . +H 6 HOH 17 522 522 HOH HOH A . +H 6 HOH 18 523 523 HOH HOH A . +H 6 HOH 19 524 524 HOH HOH A . +H 6 HOH 20 525 525 HOH HOH A . +H 6 HOH 21 526 526 HOH HOH A . +H 6 HOH 22 527 527 HOH HOH A . +H 6 HOH 23 528 528 HOH HOH A . +H 6 HOH 24 529 529 HOH HOH A . +H 6 HOH 25 530 530 HOH HOH A . +H 6 HOH 26 531 531 HOH HOH A . +H 6 HOH 27 532 532 HOH HOH A . +H 6 HOH 28 533 533 HOH HOH A . +H 6 HOH 29 534 534 HOH HOH A . +H 6 HOH 30 535 535 HOH HOH A . +H 6 HOH 31 536 536 HOH HOH A . +H 6 HOH 32 537 537 HOH HOH A . +H 6 HOH 33 538 538 HOH HOH A . +H 6 HOH 34 539 539 HOH HOH A . +H 6 HOH 35 540 540 HOH HOH A . +H 6 HOH 36 541 541 HOH HOH A . +H 6 HOH 37 542 542 HOH HOH A . +H 6 HOH 38 543 543 HOH HOH A . +H 6 HOH 39 544 544 HOH HOH A . +H 6 HOH 40 545 545 HOH HOH A . +H 6 HOH 41 546 546 HOH HOH A . +H 6 HOH 42 547 547 HOH HOH A . +H 6 HOH 43 548 548 HOH HOH A . +H 6 HOH 44 549 549 HOH HOH A . +H 6 HOH 45 550 550 HOH HOH A . +H 6 HOH 46 551 551 HOH HOH A . +H 6 HOH 47 552 552 HOH HOH A . +H 6 HOH 48 553 553 HOH HOH A . +H 6 HOH 49 554 554 HOH HOH A . +H 6 HOH 50 555 555 HOH HOH A . +H 6 HOH 51 556 556 HOH HOH A . +H 6 HOH 52 557 557 HOH HOH A . +H 6 HOH 53 558 558 HOH HOH A . +H 6 HOH 54 559 559 HOH HOH A . +H 6 HOH 55 560 560 HOH HOH A . +H 6 HOH 56 561 561 HOH HOH A . +H 6 HOH 57 562 562 HOH HOH A . +H 6 HOH 58 563 563 HOH HOH A . +H 6 HOH 59 564 564 HOH HOH A . +H 6 HOH 60 565 565 HOH HOH A . +H 6 HOH 61 566 566 HOH HOH A . +H 6 HOH 62 567 567 HOH HOH A . +H 6 HOH 63 568 568 HOH HOH A . +H 6 HOH 64 569 569 HOH HOH A . +H 6 HOH 65 570 570 HOH HOH A . +H 6 HOH 66 571 571 HOH HOH A . +H 6 HOH 67 572 572 HOH HOH A . +H 6 HOH 68 573 573 HOH HOH A . +H 6 HOH 69 574 574 HOH HOH A . +H 6 HOH 70 575 575 HOH HOH A . +H 6 HOH 71 576 576 HOH HOH A . +H 6 HOH 72 577 577 HOH HOH A . +H 6 HOH 73 578 578 HOH HOH A . +H 6 HOH 74 579 579 HOH HOH A . +H 6 HOH 75 580 580 HOH HOH A . +H 6 HOH 76 581 581 HOH HOH A . +H 6 HOH 77 582 582 HOH HOH A . +H 6 HOH 78 583 583 HOH HOH A . +H 6 HOH 79 584 584 HOH HOH A . +H 6 HOH 80 585 585 HOH HOH A . +H 6 HOH 81 586 586 HOH HOH A . +H 6 HOH 82 587 587 HOH HOH A . +H 6 HOH 83 588 588 HOH HOH A . +H 6 HOH 84 589 589 HOH HOH A . +H 6 HOH 85 590 590 HOH HOH A . +H 6 HOH 86 591 591 HOH HOH A . +H 6 HOH 87 592 592 HOH HOH A . +H 6 HOH 88 593 593 HOH HOH A . +H 6 HOH 89 594 594 HOH HOH A . +H 6 HOH 90 595 595 HOH HOH A . +H 6 HOH 91 596 596 HOH HOH A . +H 6 HOH 92 597 597 HOH HOH A . +H 6 HOH 93 598 598 HOH HOH A . +H 6 HOH 94 599 599 HOH HOH A . +H 6 HOH 95 600 600 HOH HOH A . +H 6 HOH 96 601 601 HOH HOH A . +H 6 HOH 97 602 602 HOH HOH A . +H 6 HOH 98 603 603 HOH HOH A . +H 6 HOH 99 604 604 HOH HOH A . +H 6 HOH 100 605 605 HOH HOH A . +H 6 HOH 101 606 606 HOH HOH A . +H 6 HOH 102 607 607 HOH HOH A . +H 6 HOH 103 608 608 HOH HOH A . +H 6 HOH 104 609 609 HOH HOH A . +H 6 HOH 105 610 610 HOH HOH A . +H 6 HOH 106 611 611 HOH HOH A . +H 6 HOH 107 612 612 HOH HOH A . +H 6 HOH 108 613 613 HOH HOH A . +H 6 HOH 109 614 614 HOH HOH A . +H 6 HOH 110 615 615 HOH HOH A . +H 6 HOH 111 616 616 HOH HOH A . +H 6 HOH 112 617 617 HOH HOH A . +H 6 HOH 113 618 618 HOH HOH A . +H 6 HOH 114 619 619 HOH HOH A . +H 6 HOH 115 620 620 HOH HOH A . +H 6 HOH 116 621 621 HOH HOH A . +H 6 HOH 117 622 622 HOH HOH A . +H 6 HOH 118 623 623 HOH HOH A . +H 6 HOH 119 624 624 HOH HOH A . +H 6 HOH 120 625 625 HOH HOH A . +H 6 HOH 121 626 626 HOH HOH A . +H 6 HOH 122 627 627 HOH HOH A . +H 6 HOH 123 628 628 HOH HOH A . +H 6 HOH 124 629 629 HOH HOH A . +H 6 HOH 125 630 630 HOH HOH A . +H 6 HOH 126 631 631 HOH HOH A . +H 6 HOH 127 632 632 HOH HOH A . +H 6 HOH 128 633 633 HOH HOH A . +H 6 HOH 129 634 634 HOH HOH A . +H 6 HOH 130 635 635 HOH HOH A . +H 6 HOH 131 636 636 HOH HOH A . +H 6 HOH 132 637 637 HOH HOH A . +H 6 HOH 133 638 638 HOH HOH A . +H 6 HOH 134 639 639 HOH HOH A . +H 6 HOH 135 640 640 HOH HOH A . +H 6 HOH 136 641 641 HOH HOH A . +H 6 HOH 137 642 642 HOH HOH A . +H 6 HOH 138 643 643 HOH HOH A . +H 6 HOH 139 644 644 HOH HOH A . +H 6 HOH 140 645 645 HOH HOH A . +H 6 HOH 141 646 646 HOH HOH A . +H 6 HOH 142 647 647 HOH HOH A . +H 6 HOH 143 648 648 HOH HOH A . +H 6 HOH 144 649 649 HOH HOH A . +H 6 HOH 145 650 650 HOH HOH A . +H 6 HOH 146 651 651 HOH HOH A . +H 6 HOH 147 652 652 HOH HOH A . +H 6 HOH 148 653 653 HOH HOH A . +H 6 HOH 149 654 654 HOH HOH A . +H 6 HOH 150 655 655 HOH HOH A . +H 6 HOH 151 656 656 HOH HOH A . +H 6 HOH 152 657 657 HOH HOH A . +H 6 HOH 153 658 658 HOH HOH A . +H 6 HOH 154 659 659 HOH HOH A . +H 6 HOH 155 660 660 HOH HOH A . +H 6 HOH 156 661 661 HOH HOH A . +H 6 HOH 157 662 662 HOH HOH A . +H 6 HOH 158 663 663 HOH HOH A . +H 6 HOH 159 664 664 HOH HOH A . +H 6 HOH 160 665 665 HOH HOH A . +H 6 HOH 161 666 666 HOH HOH A . +H 6 HOH 162 667 667 HOH HOH A . +H 6 HOH 163 668 668 HOH HOH A . +H 6 HOH 164 669 669 HOH HOH A . +H 6 HOH 165 670 670 HOH HOH A . +H 6 HOH 166 671 671 HOH HOH A . +H 6 HOH 167 672 672 HOH HOH A . +H 6 HOH 168 673 673 HOH HOH A . +H 6 HOH 169 674 674 HOH HOH A . +H 6 HOH 170 675 675 HOH HOH A . +H 6 HOH 171 676 676 HOH HOH A . +H 6 HOH 172 677 677 HOH HOH A . +H 6 HOH 173 678 678 HOH HOH A . +H 6 HOH 174 679 679 HOH HOH A . +H 6 HOH 175 680 680 HOH HOH A . +H 6 HOH 176 681 681 HOH HOH A . +H 6 HOH 177 682 682 HOH HOH A . +H 6 HOH 178 683 683 HOH HOH A . +H 6 HOH 179 684 684 HOH HOH A . +# +data_1TQN +# +_entry.id 1TQN +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.281 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +PDB 1TQN +RCSB RCSB022844 +WWPDB D_1000022844 +# +_pdbx_database_related.db_name PDB +_pdbx_database_related.db_id 1PQ2 +_pdbx_database_related.details 'Isoform of family 2 human drug metabolizing P450' +_pdbx_database_related.content_type unspecified +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 1TQN +_pdbx_database_status.recvd_initial_deposition_date 2004-06-17 +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.SG_entry . +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.status_code_cs ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Yano, J.K.' 1 +'Wester, M.R.' 2 +'Schoch, G.A.' 3 +'Griffin, K.J.' 4 +'Stout, C.D.' 5 +'Johnson, E.F.' 6 +# +_citation.id primary +_citation.title +'The Structure of Human Microsomal Cytochrome P450 3A4 Determined by X-ray Crystallography to 2.05-A Resolution' +_citation.journal_abbrev J.Biol.Chem. +_citation.journal_volume 279 +_citation.page_first 38091 +_citation.page_last 38094 +_citation.year 2004 +_citation.journal_id_ASTM JBCHA3 +_citation.country US +_citation.journal_id_ISSN 0021-9258 +_citation.journal_id_CSD 0071 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed 15258162 +_citation.pdbx_database_id_DOI 10.1074/jbc.C400293200 +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Yano, J.K.' 1 +primary 'Wester, M.R.' 2 +primary 'Schoch, G.A.' 3 +primary 'Griffin, K.J.' 4 +primary 'Stout, C.D.' 5 +primary 'Johnson, E.F.' 6 +# +_cell.entry_id 1TQN +_cell.length_a 77.153 +_cell.length_b 99.615 +_cell.length_c 132.684 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 90.00 +_cell.Z_PDB 8 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1TQN +_symmetry.space_group_name_H-M 'I 2 2 2' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 23 +_symmetry.space_group_name_Hall ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer man 'cytochrome P450 3A4' 55594.637 1 1.14.14.1 ? ? ? +2 non-polymer syn 'PROTOPORPHYRIN IX CONTAINING FE' 616.487 1 ? ? ? ? +3 water nat water 18.015 190 ? ? ? ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code +;MALYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSV +FTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSM +DVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRL +EDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPN +KAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSK +KNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVS +GAHHHH +; +_entity_poly.pdbx_seq_one_letter_code_can +;MALYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSV +FTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSM +DVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRL +EDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPN +KAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSK +KNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVS +GAHHHH +; +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 MET n +1 2 ALA n +1 3 LEU n +1 4 TYR n +1 5 GLY n +1 6 THR n +1 7 HIS n +1 8 SER n +1 9 HIS n +1 10 GLY n +1 11 LEU n +1 12 PHE n +1 13 LYS n +1 14 LYS n +1 15 LEU n +1 16 GLY n +1 17 ILE n +1 18 PRO n +1 19 GLY n +1 20 PRO n +1 21 THR n +1 22 PRO n +1 23 LEU n +1 24 PRO n +1 25 PHE n +1 26 LEU n +1 27 GLY n +1 28 ASN n +1 29 ILE n +1 30 LEU n +1 31 SER n +1 32 TYR n +1 33 HIS n +1 34 LYS n +1 35 GLY n +1 36 PHE n +1 37 CYS n +1 38 MET n +1 39 PHE n +1 40 ASP n +1 41 MET n +1 42 GLU n +1 43 CYS n +1 44 HIS n +1 45 LYS n +1 46 LYS n +1 47 TYR n +1 48 GLY n +1 49 LYS n +1 50 VAL n +1 51 TRP n +1 52 GLY n +1 53 PHE n +1 54 TYR n +1 55 ASP n +1 56 GLY n +1 57 GLN n +1 58 GLN n +1 59 PRO n +1 60 VAL n +1 61 LEU n +1 62 ALA n +1 63 ILE n +1 64 THR n +1 65 ASP n +1 66 PRO n +1 67 ASP n +1 68 MET n +1 69 ILE n +1 70 LYS n +1 71 THR n +1 72 VAL n +1 73 LEU n +1 74 VAL n +1 75 LYS n +1 76 GLU n +1 77 CYS n +1 78 TYR n +1 79 SER n +1 80 VAL n +1 81 PHE n +1 82 THR n +1 83 ASN n +1 84 ARG n +1 85 ARG n +1 86 PRO n +1 87 PHE n +1 88 GLY n +1 89 PRO n +1 90 VAL n +1 91 GLY n +1 92 PHE n +1 93 MET n +1 94 LYS n +1 95 SER n +1 96 ALA n +1 97 ILE n +1 98 SER n +1 99 ILE n +1 100 ALA n +1 101 GLU n +1 102 ASP n +1 103 GLU n +1 104 GLU n +1 105 TRP n +1 106 LYS n +1 107 ARG n +1 108 LEU n +1 109 ARG n +1 110 SER n +1 111 LEU n +1 112 LEU n +1 113 SER n +1 114 PRO n +1 115 THR n +1 116 PHE n +1 117 THR n +1 118 SER n +1 119 GLY n +1 120 LYS n +1 121 LEU n +1 122 LYS n +1 123 GLU n +1 124 MET n +1 125 VAL n +1 126 PRO n +1 127 ILE n +1 128 ILE n +1 129 ALA n +1 130 GLN n +1 131 TYR n +1 132 GLY n +1 133 ASP n +1 134 VAL n +1 135 LEU n +1 136 VAL n +1 137 ARG n +1 138 ASN n +1 139 LEU n +1 140 ARG n +1 141 ARG n +1 142 GLU n +1 143 ALA n +1 144 GLU n +1 145 THR n +1 146 GLY n +1 147 LYS n +1 148 PRO n +1 149 VAL n +1 150 THR n +1 151 LEU n +1 152 LYS n +1 153 ASP n +1 154 VAL n +1 155 PHE n +1 156 GLY n +1 157 ALA n +1 158 TYR n +1 159 SER n +1 160 MET n +1 161 ASP n +1 162 VAL n +1 163 ILE n +1 164 THR n +1 165 SER n +1 166 THR n +1 167 SER n +1 168 PHE n +1 169 GLY n +1 170 VAL n +1 171 ASN n +1 172 ILE n +1 173 ASP n +1 174 SER n +1 175 LEU n +1 176 ASN n +1 177 ASN n +1 178 PRO n +1 179 GLN n +1 180 ASP n +1 181 PRO n +1 182 PHE n +1 183 VAL n +1 184 GLU n +1 185 ASN n +1 186 THR n +1 187 LYS n +1 188 LYS n +1 189 LEU n +1 190 LEU n +1 191 ARG n +1 192 PHE n +1 193 ASP n +1 194 PHE n +1 195 LEU n +1 196 ASP n +1 197 PRO n +1 198 PHE n +1 199 PHE n +1 200 LEU n +1 201 SER n +1 202 ILE n +1 203 THR n +1 204 VAL n +1 205 PHE n +1 206 PRO n +1 207 PHE n +1 208 LEU n +1 209 ILE n +1 210 PRO n +1 211 ILE n +1 212 LEU n +1 213 GLU n +1 214 VAL n +1 215 LEU n +1 216 ASN n +1 217 ILE n +1 218 CYS n +1 219 VAL n +1 220 PHE n +1 221 PRO n +1 222 ARG n +1 223 GLU n +1 224 VAL n +1 225 THR n +1 226 ASN n +1 227 PHE n +1 228 LEU n +1 229 ARG n +1 230 LYS n +1 231 SER n +1 232 VAL n +1 233 LYS n +1 234 ARG n +1 235 MET n +1 236 LYS n +1 237 GLU n +1 238 SER n +1 239 ARG n +1 240 LEU n +1 241 GLU n +1 242 ASP n +1 243 THR n +1 244 GLN n +1 245 LYS n +1 246 HIS n +1 247 ARG n +1 248 VAL n +1 249 ASP n +1 250 PHE n +1 251 LEU n +1 252 GLN n +1 253 LEU n +1 254 MET n +1 255 ILE n +1 256 ASP n +1 257 SER n +1 258 GLN n +1 259 ASN n +1 260 SER n +1 261 LYS n +1 262 GLU n +1 263 THR n +1 264 GLU n +1 265 SER n +1 266 HIS n +1 267 LYS n +1 268 ALA n +1 269 LEU n +1 270 SER n +1 271 ASP n +1 272 LEU n +1 273 GLU n +1 274 LEU n +1 275 VAL n +1 276 ALA n +1 277 GLN n +1 278 SER n +1 279 ILE n +1 280 ILE n +1 281 PHE n +1 282 ILE n +1 283 PHE n +1 284 ALA n +1 285 GLY n +1 286 TYR n +1 287 GLU n +1 288 THR n +1 289 THR n +1 290 SER n +1 291 SER n +1 292 VAL n +1 293 LEU n +1 294 SER n +1 295 PHE n +1 296 ILE n +1 297 MET n +1 298 TYR n +1 299 GLU n +1 300 LEU n +1 301 ALA n +1 302 THR n +1 303 HIS n +1 304 PRO n +1 305 ASP n +1 306 VAL n +1 307 GLN n +1 308 GLN n +1 309 LYS n +1 310 LEU n +1 311 GLN n +1 312 GLU n +1 313 GLU n +1 314 ILE n +1 315 ASP n +1 316 ALA n +1 317 VAL n +1 318 LEU n +1 319 PRO n +1 320 ASN n +1 321 LYS n +1 322 ALA n +1 323 PRO n +1 324 PRO n +1 325 THR n +1 326 TYR n +1 327 ASP n +1 328 THR n +1 329 VAL n +1 330 LEU n +1 331 GLN n +1 332 MET n +1 333 GLU n +1 334 TYR n +1 335 LEU n +1 336 ASP n +1 337 MET n +1 338 VAL n +1 339 VAL n +1 340 ASN n +1 341 GLU n +1 342 THR n +1 343 LEU n +1 344 ARG n +1 345 LEU n +1 346 PHE n +1 347 PRO n +1 348 ILE n +1 349 ALA n +1 350 MET n +1 351 ARG n +1 352 LEU n +1 353 GLU n +1 354 ARG n +1 355 VAL n +1 356 CYS n +1 357 LYS n +1 358 LYS n +1 359 ASP n +1 360 VAL n +1 361 GLU n +1 362 ILE n +1 363 ASN n +1 364 GLY n +1 365 MET n +1 366 PHE n +1 367 ILE n +1 368 PRO n +1 369 LYS n +1 370 GLY n +1 371 VAL n +1 372 VAL n +1 373 VAL n +1 374 MET n +1 375 ILE n +1 376 PRO n +1 377 SER n +1 378 TYR n +1 379 ALA n +1 380 LEU n +1 381 HIS n +1 382 ARG n +1 383 ASP n +1 384 PRO n +1 385 LYS n +1 386 TYR n +1 387 TRP n +1 388 THR n +1 389 GLU n +1 390 PRO n +1 391 GLU n +1 392 LYS n +1 393 PHE n +1 394 LEU n +1 395 PRO n +1 396 GLU n +1 397 ARG n +1 398 PHE n +1 399 SER n +1 400 LYS n +1 401 LYS n +1 402 ASN n +1 403 LYS n +1 404 ASP n +1 405 ASN n +1 406 ILE n +1 407 ASP n +1 408 PRO n +1 409 TYR n +1 410 ILE n +1 411 TYR n +1 412 THR n +1 413 PRO n +1 414 PHE n +1 415 GLY n +1 416 SER n +1 417 GLY n +1 418 PRO n +1 419 ARG n +1 420 ASN n +1 421 CYS n +1 422 ILE n +1 423 GLY n +1 424 MET n +1 425 ARG n +1 426 PHE n +1 427 ALA n +1 428 LEU n +1 429 MET n +1 430 ASN n +1 431 MET n +1 432 LYS n +1 433 LEU n +1 434 ALA n +1 435 LEU n +1 436 ILE n +1 437 ARG n +1 438 VAL n +1 439 LEU n +1 440 GLN n +1 441 ASN n +1 442 PHE n +1 443 SER n +1 444 PHE n +1 445 LYS n +1 446 PRO n +1 447 CYS n +1 448 LYS n +1 449 GLU n +1 450 THR n +1 451 GLN n +1 452 ILE n +1 453 PRO n +1 454 LEU n +1 455 LYS n +1 456 LEU n +1 457 SER n +1 458 LEU n +1 459 GLY n +1 460 GLY n +1 461 LEU n +1 462 LEU n +1 463 GLN n +1 464 PRO n +1 465 GLU n +1 466 LYS n +1 467 PRO n +1 468 VAL n +1 469 VAL n +1 470 LEU n +1 471 LYS n +1 472 VAL n +1 473 GLU n +1 474 SER n +1 475 ARG n +1 476 ASP n +1 477 GLY n +1 478 THR n +1 479 VAL n +1 480 SER n +1 481 GLY n +1 482 ALA n +1 483 HIS n +1 484 HIS n +1 485 HIS n +1 486 HIS n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_alt_source_flag sample +_entity_src_gen.pdbx_seq_type ? +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? +_entity_src_gen.gene_src_common_name human +_entity_src_gen.gene_src_genus Homo +_entity_src_gen.pdbx_gene_src_gene CYP3A4 +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain ? +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 +_entity_src_gen.pdbx_gene_src_variant ? +_entity_src_gen.pdbx_gene_src_cell_line ? +_entity_src_gen.pdbx_gene_src_atcc ? +_entity_src_gen.pdbx_gene_src_organ ? +_entity_src_gen.pdbx_gene_src_organelle ? +_entity_src_gen.pdbx_gene_src_cell ? +_entity_src_gen.pdbx_gene_src_cellular_location ? +_entity_src_gen.host_org_common_name ? +_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 +_entity_src_gen.host_org_genus Escherichia +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species ? +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain 'DH5 alpha' +_entity_src_gen.pdbx_host_org_variant ? +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type Plasmid +_entity_src_gen.pdbx_host_org_vector ? +_entity_src_gen.host_org_details ? +_entity_src_gen.expression_system_id ? +_entity_src_gen.plasmid_name pSE3A4dHHis +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code CP3A4_HUMAN +_struct_ref.pdbx_db_accession P08684 +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code +;MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQP +VLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNL +RREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV +FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYE +LATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYA +LHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG +GLLQPEKPVVLKVESRDGTVSGA +; +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_db_isoform ? +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1TQN +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 482 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession P08684 +_struct_ref_seq.db_align_beg 1 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 503 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 22 +_struct_ref_seq.pdbx_auth_seq_align_end 503 +# +loop_ +_struct_ref_seq_dif.align_id +_struct_ref_seq_dif.pdbx_pdb_id_code +_struct_ref_seq_dif.mon_id +_struct_ref_seq_dif.pdbx_pdb_strand_id +_struct_ref_seq_dif.seq_num +_struct_ref_seq_dif.pdbx_pdb_ins_code +_struct_ref_seq_dif.pdbx_seq_db_name +_struct_ref_seq_dif.pdbx_seq_db_accession_code +_struct_ref_seq_dif.db_mon_id +_struct_ref_seq_dif.pdbx_seq_db_seq_num +_struct_ref_seq_dif.details +_struct_ref_seq_dif.pdbx_auth_seq_num +_struct_ref_seq_dif.pdbx_ordinal +1 1TQN ? A ? ? UNP P08684 LEU 3 DELETION ? 1 +1 1TQN ? A ? ? UNP P08684 ILE 4 DELETION ? 2 +1 1TQN ? A ? ? UNP P08684 PRO 5 DELETION ? 3 +1 1TQN ? A ? ? UNP P08684 ASP 6 DELETION ? 4 +1 1TQN ? A ? ? UNP P08684 LEU 7 DELETION ? 5 +1 1TQN ? A ? ? UNP P08684 ALA 8 DELETION ? 6 +1 1TQN ? A ? ? UNP P08684 MET 9 DELETION ? 7 +1 1TQN ? A ? ? UNP P08684 GLU 10 DELETION ? 8 +1 1TQN ? A ? ? UNP P08684 THR 11 DELETION ? 9 +1 1TQN ? A ? ? UNP P08684 TRP 12 DELETION ? 10 +1 1TQN ? A ? ? UNP P08684 LEU 13 DELETION ? 11 +1 1TQN ? A ? ? UNP P08684 LEU 14 DELETION ? 12 +1 1TQN ? A ? ? UNP P08684 LEU 15 DELETION ? 13 +1 1TQN ? A ? ? UNP P08684 ALA 16 DELETION ? 14 +1 1TQN ? A ? ? UNP P08684 VAL 17 DELETION ? 15 +1 1TQN ? A ? ? UNP P08684 SER 18 DELETION ? 16 +1 1TQN ? A ? ? UNP P08684 LEU 19 DELETION ? 17 +1 1TQN ? A ? ? UNP P08684 VAL 20 DELETION ? 18 +1 1TQN ? A ? ? UNP P08684 LEU 21 DELETION ? 19 +1 1TQN ? A ? ? UNP P08684 LEU 22 DELETION ? 20 +1 1TQN ? A ? ? UNP P08684 TYR 23 DELETION ? 21 +1 1TQN HIS A 483 ? UNP P08684 ? ? 'EXPRESSION TAG' 504 22 +1 1TQN HIS A 484 ? UNP P08684 ? ? 'EXPRESSION TAG' 505 23 +1 1TQN HIS A 485 ? UNP P08684 ? ? 'EXPRESSION TAG' 506 24 +1 1TQN HIS A 486 ? UNP P08684 ? ? 'EXPRESSION TAG' 507 25 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HEM non-polymer . 'PROTOPORPHYRIN IX CONTAINING FE' HEME 'C34 H32 Fe N4 O4' 616.487 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 +HOH non-polymer . WATER ? 'H2 O' 18.015 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +# +_exptl.entry_id 1TQN +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 2.3 +_exptl_crystal.density_percent_sol 47.2 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' +_exptl_crystal_grow.temp 298 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pH 7.0 +_exptl_crystal_grow.pdbx_details 'PEG 5000 MME, Hepes, erythromycin, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K' +_exptl_crystal_grow.pdbx_pH_range . +# +_diffrn.id 1 +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type 'ADSC QUANTUM 4' +_diffrn_detector.pdbx_collection_date 2003-12-12 +_diffrn_detector.details ? +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator 'Single crystal, cylindrically bent, Si(220)' +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.979 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'ALS BEAMLINE 5.0.2' +_diffrn_source.pdbx_synchrotron_site ALS +_diffrn_source.pdbx_synchrotron_beamline 5.0.2 +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_wavelength_list 0.979 +# +_reflns.entry_id 1TQN +_reflns.observed_criterion_sigma_F 0 +_reflns.observed_criterion_sigma_I 0 +_reflns.d_resolution_high 2.0 +_reflns.d_resolution_low 50.0 +_reflns.number_all 34912 +_reflns.number_obs 34583 +_reflns.percent_possible_obs 99.1 +_reflns.pdbx_Rmerge_I_obs ? +_reflns.pdbx_Rsym_value 0.062 +_reflns.pdbx_netI_over_sigmaI 17.8 +_reflns.B_iso_Wilson_estimate ? +_reflns.pdbx_redundancy ? +_reflns.R_free_details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.pdbx_chi_squared ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_ordinal 1 +_reflns.pdbx_diffrn_id 1 +# +_reflns_shell.d_res_high 2.0 +_reflns_shell.d_res_low 2.11 +_reflns_shell.percent_possible_all 94.7 +_reflns_shell.Rmerge_I_obs ? +_reflns_shell.pdbx_Rsym_value 0.635 +_reflns_shell.meanI_over_sigI_obs ? +_reflns_shell.pdbx_redundancy 3.8 +_reflns_shell.percent_possible_obs ? +_reflns_shell.number_unique_all ? +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.number_unique_obs ? +_reflns_shell.pdbx_chi_squared ? +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.pdbx_diffrn_id 1 +# +_refine.entry_id 1TQN +_refine.ls_d_res_high 2.05 +_refine.ls_d_res_low 50.0 +_refine.pdbx_ls_sigma_F 0.0 +_refine.pdbx_ls_sigma_I ? +_refine.ls_number_reflns_all 32467 +_refine.ls_number_reflns_obs 32347 +_refine.ls_number_reflns_R_free 1634 +_refine.ls_percent_reflns_obs 99.6 +_refine.ls_R_factor_all 0.2411 +_refine.ls_R_factor_obs 0.2411 +_refine.ls_R_factor_R_work 0.2385 +_refine.ls_R_factor_R_free 0.2935 +_refine.ls_redundancy_reflns_obs ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_starting_model ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_stereochemistry_target_values 'Engh & Huber' +_refine.solvent_model_details ? +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.pdbx_isotropic_thermal_model ? +_refine.B_iso_mean ? +_refine.aniso_B[1][1] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[2][3] ? +_refine.aniso_B[3][3] ? +_refine.details ? +_refine.B_iso_min ? +_refine.B_iso_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_SU_B ? +_refine.overall_SU_ML ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_overall_phase_error ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_analyze.entry_id 1TQN +_refine_analyze.Luzzati_coordinate_error_obs 0.31 +_refine_analyze.Luzzati_sigma_a_obs 0.30 +_refine_analyze.Luzzati_d_res_low_obs 5.0 +_refine_analyze.Luzzati_coordinate_error_free 0.40 +_refine_analyze.Luzzati_sigma_a_free 0.34 +_refine_analyze.Luzzati_d_res_low_free ? +_refine_analyze.number_disordered_residues ? +_refine_analyze.occupancy_sum_non_hydrogen ? +_refine_analyze.occupancy_sum_hydrogen ? +_refine_analyze.pdbx_Luzzati_d_res_high_obs ? +_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 3766 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 43 +_refine_hist.number_atoms_solvent 190 +_refine_hist.number_atoms_total 3999 +_refine_hist.d_res_high 2.05 +_refine_hist.d_res_low 50.0 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +c_angle_deg 1.61935 ? ? ? 'X-RAY DIFFRACTION' ? +c_dihedral_angle_d 21.79575 ? ? ? 'X-RAY DIFFRACTION' ? +c_bond_d 0.011389 ? ? ? 'X-RAY DIFFRACTION' ? +# +_struct.entry_id 1TQN +_struct.title 'Crystal Structure of Human Microsomal P450 3A4' +_struct.pdbx_descriptor 'cytochrome P450 3A4 (E.C.1.14.14.1)' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1TQN +_struct_keywords.pdbx_keywords OXIDOREDUCTASE +_struct_keywords.text 'P450, CYP3A4, monooxygenase, drug metabolizing enzyme, oxidoreductase, heme' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 3 ? +# +_struct_biol.id 1 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 1 GLY A 10 ? LEU A 15 ? GLY A 31 LEU A 36 1 ? 6 +HELX_P HELX_P2 2 ASN A 28 ? LYS A 34 ? ASN A 49 LYS A 55 5 ? 7 +HELX_P HELX_P3 3 GLY A 35 ? GLY A 48 ? GLY A 56 GLY A 69 1 ? 14 +HELX_P HELX_P4 4 ASP A 65 ? VAL A 74 ? ASP A 86 VAL A 95 1 ? 10 +HELX_P HELX_P5 5 VAL A 90 ? ALA A 96 ? VAL A 111 ALA A 117 5 ? 7 +HELX_P HELX_P6 6 GLU A 101 ? LEU A 112 ? GLU A 122 LEU A 133 1 ? 12 +HELX_P HELX_P7 7 SER A 113 ? PHE A 116 ? SER A 134 PHE A 137 5 ? 4 +HELX_P HELX_P8 8 THR A 117 ? GLU A 123 ? THR A 138 GLU A 144 1 ? 7 +HELX_P HELX_P9 9 MET A 124 ? GLY A 146 ? MET A 145 GLY A 167 1 ? 23 +HELX_P HELX_P10 10 LEU A 151 ? THR A 166 ? LEU A 172 THR A 187 1 ? 16 +HELX_P HELX_P11 11 ASP A 173 ? ASN A 177 ? ASP A 194 ASN A 198 5 ? 5 +HELX_P HELX_P12 12 ASP A 180 ? LYS A 187 ? ASP A 201 LYS A 208 1 ? 8 +HELX_P HELX_P13 13 ASP A 196 ? PHE A 205 ? ASP A 217 PHE A 226 1 ? 10 +HELX_P HELX_P14 14 LEU A 208 ? LEU A 215 ? LEU A 229 LEU A 236 1 ? 8 +HELX_P HELX_P15 15 PRO A 221 ? GLU A 237 ? PRO A 242 GLU A 258 1 ? 17 +HELX_P HELX_P16 16 ASP A 249 ? ASN A 259 ? ASP A 270 ASN A 280 1 ? 11 +HELX_P HELX_P17 17 SER A 270 ? HIS A 303 ? SER A 291 HIS A 324 1 ? 34 +HELX_P HELX_P18 18 HIS A 303 ? LEU A 318 ? HIS A 324 LEU A 339 1 ? 16 +HELX_P HELX_P19 19 THR A 325 ? MET A 332 ? THR A 346 MET A 353 1 ? 8 +HELX_P HELX_P20 20 MET A 332 ? PHE A 346 ? MET A 353 PHE A 367 1 ? 15 +HELX_P HELX_P21 21 PRO A 376 ? ARG A 382 ? PRO A 397 ARG A 403 1 ? 7 +HELX_P HELX_P22 22 LEU A 394 ? SER A 399 ? LEU A 415 SER A 420 5 ? 6 +HELX_P HELX_P23 23 ASN A 402 ? ILE A 406 ? ASN A 423 ILE A 427 5 ? 5 +HELX_P HELX_P24 24 GLY A 423 ? GLN A 440 ? GLY A 444 GLN A 461 1 ? 18 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +metalc1 metalc ? ? A CYS 421 SG ? ? ? 1_555 B HEM . FE ? ? A CYS 442 A HEM 508 1_555 ? ? ? ? ? ? ? 2.355 ? +metalc2 metalc ? ? B HEM . FE ? ? ? 1_555 C HOH . O ? ? A HEM 508 A HOH 509 1_555 ? ? ? ? ? ? ? 2.067 ? +metalcFake metalc ? ? A CYS 421 SG ? ? ? 1_555 B HEM . FE ? ? A CYS 442 A HEM 508 1_555 CB 421 CYS A ? ? ? 2.355 ? +# +_struct_conn_type.id metalc +_struct_conn_type.criteria ? +_struct_conn_type.reference ? +# +_struct_mon_prot_cis.pdbx_id 1 +_struct_mon_prot_cis.label_comp_id ILE +_struct_mon_prot_cis.label_seq_id 452 +_struct_mon_prot_cis.label_asym_id A +_struct_mon_prot_cis.label_alt_id . +_struct_mon_prot_cis.pdbx_PDB_ins_code ? +_struct_mon_prot_cis.auth_comp_id ILE +_struct_mon_prot_cis.auth_seq_id 473 +_struct_mon_prot_cis.auth_asym_id A +_struct_mon_prot_cis.pdbx_label_comp_id_2 PRO +_struct_mon_prot_cis.pdbx_label_seq_id_2 453 +_struct_mon_prot_cis.pdbx_label_asym_id_2 A +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? +_struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO +_struct_mon_prot_cis.pdbx_auth_seq_id_2 474 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 A +_struct_mon_prot_cis.pdbx_PDB_model_num 1 +_struct_mon_prot_cis.pdbx_omega_angle -0.16 +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +A ? 4 ? +B ? 3 ? +C ? 2 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 ? anti-parallel +A 2 3 ? parallel +A 3 4 ? anti-parallel +B 1 2 ? anti-parallel +B 2 3 ? anti-parallel +C 1 2 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +A 1 VAL A 50 ? ASP A 55 ? VAL A 71 ASP A 76 +A 2 GLN A 58 ? ILE A 63 ? GLN A 79 ILE A 84 +A 3 VAL A 372 ? ILE A 375 ? VAL A 393 ILE A 396 +A 4 LEU A 352 ? VAL A 355 ? LEU A 373 VAL A 376 +B 1 VAL A 149 ? THR A 150 ? VAL A 170 THR A 171 +B 2 VAL A 469 ? SER A 474 ? VAL A 490 SER A 495 +B 3 PHE A 442 ? LYS A 445 ? PHE A 463 LYS A 466 +C 1 VAL A 360 ? ILE A 362 ? VAL A 381 ILE A 383 +C 2 MET A 365 ? ILE A 367 ? MET A 386 ILE A 388 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 N PHE A 53 ? N PHE A 74 O VAL A 60 ? O VAL A 81 +A 2 3 N LEU A 61 ? N LEU A 82 O VAL A 372 ? O VAL A 393 +A 3 4 O VAL A 373 ? O VAL A 394 N ARG A 354 ? N ARG A 375 +B 1 2 N VAL A 149 ? N VAL A 170 O LEU A 470 ? O LEU A 491 +B 2 3 O GLU A 473 ? O GLU A 494 N SER A 443 ? N SER A 464 +C 1 2 N VAL A 360 ? N VAL A 381 O ILE A 367 ? O ILE A 388 +# +_struct_site.id AC1 +_struct_site.pdbx_evidence_code Software +_struct_site.pdbx_auth_asym_id ? +_struct_site.pdbx_auth_comp_id ? +_struct_site.pdbx_auth_seq_id ? +_struct_site.pdbx_auth_ins_code ? +_struct_site.pdbx_num_residues 20 +_struct_site.details 'BINDING SITE FOR RESIDUE HEM A 508' +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 20 ARG A 84 ? ARG A 105 . ? 1_555 ? +2 AC1 20 SER A 98 ? SER A 119 . ? 1_555 ? +3 AC1 20 TRP A 105 ? TRP A 126 . ? 1_555 ? +4 AC1 20 ARG A 109 ? ARG A 130 . ? 1_555 ? +5 AC1 20 PHE A 116 ? PHE A 137 . ? 1_555 ? +6 AC1 20 ALA A 284 ? ALA A 305 . ? 1_555 ? +7 AC1 20 GLY A 285 ? GLY A 306 . ? 1_555 ? +8 AC1 20 VAL A 292 ? VAL A 313 . ? 1_555 ? +9 AC1 20 ALA A 349 ? ALA A 370 . ? 1_555 ? +10 AC1 20 ARG A 354 ? ARG A 375 . ? 1_555 ? +11 AC1 20 PRO A 413 ? PRO A 434 . ? 1_555 ? +12 AC1 20 PHE A 414 ? PHE A 435 . ? 1_555 ? +13 AC1 20 GLY A 415 ? GLY A 436 . ? 1_555 ? +14 AC1 20 SER A 416 ? SER A 437 . ? 1_555 ? +15 AC1 20 ARG A 419 ? ARG A 440 . ? 1_555 ? +16 AC1 20 CYS A 421 ? CYS A 442 . ? 1_555 ? +17 AC1 20 ILE A 422 ? ILE A 443 . ? 1_555 ? +18 AC1 20 MET A 431 ? MET A 452 . ? 1_555 ? +19 AC1 20 HOH C . ? HOH A 509 . ? 1_555 ? +20 AC1 20 HOH C . ? HOH A 646 . ? 1_555 ? +# +_database_PDB_matrix.entry_id 1TQN +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_atom_sites.entry_id 1TQN +_atom_sites.fract_transf_matrix[1][1] 0.012961 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.010039 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.007537 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +FE +N +O +S +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . HIS A 1 7 ? -30.070 8.178 -13.891 1.00 62.96 ? 28 HIS A N 1 +ATOM 2 C CA . HIS A 1 7 ? -29.618 8.226 -15.315 1.00 62.61 ? 28 HIS A CA 1 +ATOM 3 C C . HIS A 1 7 ? -28.098 8.416 -15.437 1.00 60.27 ? 28 HIS A C 1 +ATOM 4 O O . HIS A 1 7 ? -27.574 9.544 -15.459 1.00 60.60 ? 28 HIS A O 1 +ATOM 5 C CB . HIS A 1 7 ? -30.349 9.350 -16.065 1.00 65.70 ? 28 HIS A CB 1 +ATOM 6 C CG . HIS A 1 7 ? -31.223 8.866 -17.185 1.00 68.78 ? 28 HIS A CG 1 +ATOM 7 N ND1 . HIS A 1 7 ? -32.203 7.912 -17.008 1.00 70.34 ? 28 HIS A ND1 1 +ATOM 8 C CD2 . HIS A 1 7 ? -31.276 9.222 -18.492 1.00 70.01 ? 28 HIS A CD2 1 +ATOM 9 C CE1 . HIS A 1 7 ? -32.823 7.701 -18.158 1.00 69.94 ? 28 HIS A CE1 1 +ATOM 10 N NE2 . HIS A 1 7 ? -32.281 8.484 -19.074 1.00 70.77 ? 28 HIS A NE2 1 +ATOM 11 N N . SER A 1 8 ? -27.405 7.284 -15.471 1.00 56.14 ? 29 SER A N 1 +ATOM 12 C CA . SER A 1 8 ? -25.961 7.227 -15.632 1.00 50.52 ? 29 SER A CA 1 +ATOM 13 C C . SER A 1 8 ? -25.884 6.716 -17.068 1.00 47.47 ? 29 SER A C 1 +ATOM 14 O O . SER A 1 8 ? -24.833 6.316 -17.568 1.00 43.73 ? 29 SER A O 1 +ATOM 15 C CB . SER A 1 8 ? -25.377 6.189 -14.689 1.00 51.49 ? 29 SER A CB 1 +ATOM 16 O OG . SER A 1 8 ? -25.964 4.927 -14.960 1.00 52.27 ? 29 SER A OG 1 +ATOM 17 N N . HIS A 1 9 ? -27.045 6.741 -17.714 1.00 42.43 ? 30 HIS A N 1 +ATOM 18 C CA . HIS A 1 9 ? -27.193 6.283 -19.076 1.00 41.49 ? 30 HIS A CA 1 +ATOM 19 C C . HIS A 1 9 ? -26.488 7.136 -20.130 1.00 40.79 ? 30 HIS A C 1 +ATOM 20 O O . HIS A 1 9 ? -26.658 6.919 -21.330 1.00 39.07 ? 30 HIS A O 1 +ATOM 21 C CB . HIS A 1 9 ? -28.682 6.170 -19.398 1.00 38.39 ? 30 HIS A CB 1 +ATOM 22 C CG . HIS A 1 9 ? -29.338 4.990 -18.756 1.00 38.11 ? 30 HIS A CG 1 +ATOM 23 N ND1 . HIS A 1 9 ? -30.663 4.677 -18.953 1.00 36.41 ? 30 HIS A ND1 1 +ATOM 24 C CD2 . HIS A 1 9 ? -28.835 4.018 -17.957 1.00 34.59 ? 30 HIS A CD2 1 +ATOM 25 C CE1 . HIS A 1 9 ? -30.950 3.563 -18.307 1.00 34.05 ? 30 HIS A CE1 1 +ATOM 26 N NE2 . HIS A 1 9 ? -29.857 3.143 -17.696 1.00 33.10 ? 30 HIS A NE2 1 +ATOM 27 N N . GLY A 1 10 ? -25.701 8.107 -19.694 1.00 41.10 ? 31 GLY A N 1 +ATOM 28 C CA . GLY A 1 10 ? -25.022 8.941 -20.665 1.00 41.27 ? 31 GLY A CA 1 +ATOM 29 C C . GLY A 1 10 ? -23.535 8.699 -20.627 1.00 40.54 ? 31 GLY A C 1 +ATOM 30 O O . GLY A 1 10 ? -22.779 9.229 -21.448 1.00 40.06 ? 31 GLY A O 1 +ATOM 31 N N . LEU A 1 11 ? -23.134 7.880 -19.663 1.00 40.22 ? 32 LEU A N 1 +ATOM 32 C CA . LEU A 1 11 ? -21.749 7.556 -19.428 1.00 41.56 ? 32 LEU A CA 1 +ATOM 33 C C . LEU A 1 11 ? -21.026 7.108 -20.665 1.00 42.04 ? 32 LEU A C 1 +ATOM 34 O O . LEU A 1 11 ? -20.024 7.709 -21.059 1.00 43.20 ? 32 LEU A O 1 +ATOM 35 C CB . LEU A 1 11 ? -21.634 6.479 -18.359 1.00 43.00 ? 32 LEU A CB 1 +ATOM 36 C CG . LEU A 1 11 ? -20.227 5.896 -18.290 1.00 45.18 ? 32 LEU A CG 1 +ATOM 37 C CD1 . LEU A 1 11 ? -19.273 7.042 -18.072 1.00 47.12 ? 32 LEU A CD1 1 +ATOM 38 C CD2 . LEU A 1 11 ? -20.105 4.859 -17.183 1.00 42.73 ? 32 LEU A CD2 1 +ATOM 39 N N . PHE A 1 12 ? -21.530 6.070 -21.305 1.00 40.90 ? 33 PHE A N 1 +ATOM 40 C CA . PHE A 1 12 ? -20.855 5.586 -22.490 1.00 41.86 ? 33 PHE A CA 1 +ATOM 41 C C . PHE A 1 12 ? -20.740 6.569 -23.669 1.00 42.49 ? 33 PHE A C 1 +ATOM 42 O O . PHE A 1 12 ? -19.680 6.637 -24.296 1.00 41.75 ? 33 PHE A O 1 +ATOM 43 C CB . PHE A 1 12 ? -21.443 4.226 -22.892 1.00 38.29 ? 33 PHE A CB 1 +ATOM 44 C CG . PHE A 1 12 ? -21.066 3.121 -21.928 1.00 37.28 ? 33 PHE A CG 1 +ATOM 45 C CD1 . PHE A 1 12 ? -22.036 2.274 -21.373 1.00 34.57 ? 33 PHE A CD1 1 +ATOM 46 C CD2 . PHE A 1 12 ? -19.731 2.970 -21.516 1.00 34.84 ? 33 PHE A CD2 1 +ATOM 47 C CE1 . PHE A 1 12 ? -21.687 1.301 -20.421 1.00 32.06 ? 33 PHE A CE1 1 +ATOM 48 C CE2 . PHE A 1 12 ? -19.361 1.997 -20.561 1.00 36.38 ? 33 PHE A CE2 1 +ATOM 49 C CZ . PHE A 1 12 ? -20.344 1.154 -20.006 1.00 33.13 ? 33 PHE A CZ 1 +ATOM 50 N N . LYS A 1 13 ? -21.768 7.342 -23.994 1.00 43.23 ? 34 LYS A N 1 +ATOM 51 C CA . LYS A 1 13 ? -21.544 8.264 -25.101 1.00 46.41 ? 34 LYS A CA 1 +ATOM 52 C C . LYS A 1 13 ? -20.629 9.401 -24.634 1.00 46.34 ? 34 LYS A C 1 +ATOM 53 O O . LYS A 1 13 ? -19.864 9.963 -25.414 1.00 47.02 ? 34 LYS A O 1 +ATOM 54 C CB . LYS A 1 13 ? -22.850 8.788 -25.724 1.00 46.48 ? 34 LYS A CB 1 +ATOM 55 C CG . LYS A 1 13 ? -23.867 9.409 -24.806 1.00 49.70 ? 34 LYS A CG 1 +ATOM 56 C CD . LYS A 1 13 ? -25.147 9.745 -25.597 1.00 50.15 ? 34 LYS A CD 1 +ATOM 57 C CE . LYS A 1 13 ? -25.646 8.529 -26.386 1.00 52.68 ? 34 LYS A CE 1 +ATOM 58 N NZ . LYS A 1 13 ? -26.951 8.756 -27.105 1.00 52.55 ? 34 LYS A NZ 1 +ATOM 59 N N . LYS A 1 14 ? -20.668 9.702 -23.348 1.00 45.82 ? 35 LYS A N 1 +ATOM 60 C CA . LYS A 1 14 ? -19.799 10.741 -22.828 1.00 47.64 ? 35 LYS A CA 1 +ATOM 61 C C . LYS A 1 14 ? -18.323 10.342 -23.039 1.00 47.60 ? 35 LYS A C 1 +ATOM 62 O O . LYS A 1 14 ? -17.464 11.205 -23.244 1.00 46.26 ? 35 LYS A O 1 +ATOM 63 C CB . LYS A 1 14 ? -20.097 10.964 -21.347 1.00 48.25 ? 35 LYS A CB 1 +ATOM 64 C CG . LYS A 1 14 ? -19.387 12.140 -20.703 1.00 50.61 ? 35 LYS A CG 1 +ATOM 65 C CD . LYS A 1 14 ? -19.878 12.316 -19.258 1.00 53.80 ? 35 LYS A CD 1 +ATOM 66 C CE . LYS A 1 14 ? -19.629 11.054 -18.397 1.00 55.00 ? 35 LYS A CE 1 +ATOM 67 N NZ . LYS A 1 14 ? -20.636 10.864 -17.294 1.00 55.76 ? 35 LYS A NZ 1 +ATOM 68 N N . LEU A 1 15 ? -18.039 9.038 -23.021 1.00 46.20 ? 36 LEU A N 1 +ATOM 69 C CA . LEU A 1 15 ? -16.673 8.536 -23.195 1.00 44.95 ? 36 LEU A CA 1 +ATOM 70 C C . LEU A 1 15 ? -16.432 8.111 -24.627 1.00 44.34 ? 36 LEU A C 1 +ATOM 71 O O . LEU A 1 15 ? -15.370 7.571 -24.957 1.00 45.10 ? 36 LEU A O 1 +ATOM 72 C CB . LEU A 1 15 ? -16.429 7.321 -22.291 1.00 46.46 ? 36 LEU A CB 1 +ATOM 73 C CG . LEU A 1 15 ? -16.571 7.489 -20.779 1.00 47.49 ? 36 LEU A CG 1 +ATOM 74 C CD1 . LEU A 1 15 ? -16.718 6.126 -20.131 1.00 49.38 ? 36 LEU A CD1 1 +ATOM 75 C CD2 . LEU A 1 15 ? -15.357 8.218 -20.217 1.00 48.70 ? 36 LEU A CD2 1 +ATOM 76 N N . GLY A 1 16 ? -17.426 8.325 -25.479 1.00 42.79 ? 37 GLY A N 1 +ATOM 77 C CA . GLY A 1 16 ? -17.288 7.931 -26.866 1.00 41.01 ? 37 GLY A CA 1 +ATOM 78 C C . GLY A 1 16 ? -17.286 6.421 -27.067 1.00 40.33 ? 37 GLY A C 1 +ATOM 79 O O . GLY A 1 16 ? -16.832 5.933 -28.101 1.00 37.63 ? 37 GLY A O 1 +ATOM 80 N N . ILE A 1 17 ? -17.775 5.667 -26.080 1.00 39.87 ? 38 ILE A N 1 +ATOM 81 C CA . ILE A 1 17 ? -17.816 4.204 -26.203 1.00 38.15 ? 38 ILE A CA 1 +ATOM 82 C C . ILE A 1 17 ? -19.154 3.859 -26.799 1.00 37.27 ? 38 ILE A C 1 +ATOM 83 O O . ILE A 1 17 ? -20.191 4.280 -26.298 1.00 40.01 ? 38 ILE A O 1 +ATOM 84 C CB . ILE A 1 17 ? -17.619 3.511 -24.846 1.00 39.48 ? 38 ILE A CB 1 +ATOM 85 C CG1 . ILE A 1 17 ? -16.152 3.661 -24.424 1.00 38.60 ? 38 ILE A CG1 1 +ATOM 86 C CG2 . ILE A 1 17 ? -17.998 2.020 -24.935 1.00 38.43 ? 38 ILE A CG2 1 +ATOM 87 C CD1 . ILE A 1 17 ? -15.875 3.303 -22.979 1.00 42.21 ? 38 ILE A CD1 1 +ATOM 88 N N . PRO A 1 18 ? -19.149 3.116 -27.911 1.00 35.80 ? 39 PRO A N 1 +ATOM 89 C CA . PRO A 1 18 ? -20.393 2.731 -28.577 1.00 34.99 ? 39 PRO A CA 1 +ATOM 90 C C . PRO A 1 18 ? -21.178 1.688 -27.788 1.00 33.85 ? 39 PRO A C 1 +ATOM 91 O O . PRO A 1 18 ? -20.707 1.133 -26.795 1.00 33.23 ? 39 PRO A O 1 +ATOM 92 C CB . PRO A 1 18 ? -19.907 2.190 -29.913 1.00 32.98 ? 39 PRO A CB 1 +ATOM 93 C CG . PRO A 1 18 ? -18.695 1.451 -29.508 1.00 33.36 ? 39 PRO A CG 1 +ATOM 94 C CD . PRO A 1 18 ? -18.002 2.427 -28.531 1.00 34.92 ? 39 PRO A CD 1 +ATOM 95 N N . GLY A 1 19 ? -22.381 1.424 -28.262 1.00 35.25 ? 40 GLY A N 1 +ATOM 96 C CA . GLY A 1 19 ? -23.237 0.462 -27.604 1.00 36.08 ? 40 GLY A CA 1 +ATOM 97 C C . GLY A 1 19 ? -24.697 0.782 -27.859 1.00 34.84 ? 40 GLY A C 1 +ATOM 98 O O . GLY A 1 19 ? -25.030 1.875 -28.332 1.00 36.09 ? 40 GLY A O 1 +ATOM 99 N N . PRO A 1 20 ? -25.599 -0.154 -27.547 1.00 33.41 ? 41 PRO A N 1 +ATOM 100 C CA . PRO A 1 20 ? -27.032 0.060 -27.765 1.00 32.14 ? 41 PRO A CA 1 +ATOM 101 C C . PRO A 1 20 ? -27.567 1.170 -26.859 1.00 32.15 ? 41 PRO A C 1 +ATOM 102 O O . PRO A 1 20 ? -27.107 1.344 -25.743 1.00 31.97 ? 41 PRO A O 1 +ATOM 103 C CB . PRO A 1 20 ? -27.623 -1.308 -27.461 1.00 33.87 ? 41 PRO A CB 1 +ATOM 104 C CG . PRO A 1 20 ? -26.693 -1.827 -26.322 1.00 30.54 ? 41 PRO A CG 1 +ATOM 105 C CD . PRO A 1 20 ? -25.333 -1.451 -26.880 1.00 33.66 ? 41 PRO A CD 1 +ATOM 106 N N . THR A 1 21 ? -28.512 1.947 -27.368 1.00 33.99 ? 42 THR A N 1 +ATOM 107 C CA . THR A 1 21 ? -29.090 3.046 -26.599 1.00 35.72 ? 42 THR A CA 1 +ATOM 108 C C . THR A 1 21 ? -29.975 2.507 -25.467 1.00 32.26 ? 42 THR A C 1 +ATOM 109 O O . THR A 1 21 ? -30.896 1.761 -25.724 1.00 31.68 ? 42 THR A O 1 +ATOM 110 C CB . THR A 1 21 ? -29.971 3.921 -27.470 1.00 37.37 ? 42 THR A CB 1 +ATOM 111 O OG1 . THR A 1 21 ? -29.295 4.209 -28.705 1.00 44.56 ? 42 THR A OG1 1 +ATOM 112 C CG2 . THR A 1 21 ? -30.278 5.209 -26.734 1.00 38.26 ? 42 THR A CG2 1 +ATOM 113 N N . PRO A 1 22 ? -29.697 2.881 -24.211 1.00 32.18 ? 43 PRO A N 1 +ATOM 114 C CA . PRO A 1 22 ? -30.522 2.384 -23.091 1.00 33.03 ? 43 PRO A CA 1 +ATOM 115 C C . PRO A 1 22 ? -31.885 3.072 -22.981 1.00 33.84 ? 43 PRO A C 1 +ATOM 116 O O . PRO A 1 22 ? -32.039 4.221 -23.401 1.00 31.55 ? 43 PRO A O 1 +ATOM 117 C CB . PRO A 1 22 ? -29.659 2.673 -21.874 1.00 33.40 ? 43 PRO A CB 1 +ATOM 118 C CG . PRO A 1 22 ? -28.969 3.989 -22.284 1.00 35.56 ? 43 PRO A CG 1 +ATOM 119 C CD . PRO A 1 22 ? -28.562 3.684 -23.722 1.00 31.83 ? 43 PRO A CD 1 +ATOM 120 N N . LEU A 1 23 ? -32.862 2.347 -22.430 1.00 34.63 ? 44 LEU A N 1 +ATOM 121 C CA . LEU A 1 23 ? -34.194 2.885 -22.217 1.00 33.11 ? 44 LEU A CA 1 +ATOM 122 C C . LEU A 1 23 ? -34.242 3.310 -20.762 1.00 33.03 ? 44 LEU A C 1 +ATOM 123 O O . LEU A 1 23 ? -33.542 2.750 -19.907 1.00 33.09 ? 44 LEU A O 1 +ATOM 124 C CB . LEU A 1 23 ? -35.273 1.836 -22.450 1.00 34.64 ? 44 LEU A CB 1 +ATOM 125 C CG . LEU A 1 23 ? -35.393 1.116 -23.811 1.00 38.11 ? 44 LEU A CG 1 +ATOM 126 C CD1 . LEU A 1 23 ? -36.493 0.088 -23.727 1.00 35.25 ? 44 LEU A CD1 1 +ATOM 127 C CD2 . LEU A 1 23 ? -35.702 2.086 -24.932 1.00 38.17 ? 44 LEU A CD2 1 +ATOM 128 N N . PRO A 1 24 ? -35.037 4.344 -20.463 1.00 33.19 ? 45 PRO A N 1 +ATOM 129 C CA . PRO A 1 24 ? -35.133 4.795 -19.076 1.00 32.59 ? 45 PRO A CA 1 +ATOM 130 C C . PRO A 1 24 ? -35.476 3.590 -18.204 1.00 30.59 ? 45 PRO A C 1 +ATOM 131 O O . PRO A 1 24 ? -36.258 2.714 -18.623 1.00 31.99 ? 45 PRO A O 1 +ATOM 132 C CB . PRO A 1 24 ? -36.258 5.825 -19.131 1.00 33.56 ? 45 PRO A CB 1 +ATOM 133 C CG . PRO A 1 24 ? -36.108 6.406 -20.533 1.00 34.56 ? 45 PRO A CG 1 +ATOM 134 C CD . PRO A 1 24 ? -35.837 5.189 -21.373 1.00 32.31 ? 45 PRO A CD 1 +ATOM 135 N N . PHE A 1 25 ? -34.865 3.543 -17.023 1.00 27.81 ? 46 PHE A N 1 +ATOM 136 C CA . PHE A 1 25 ? -35.050 2.484 -16.025 1.00 28.07 ? 46 PHE A CA 1 +ATOM 137 C C . PHE A 1 25 ? -34.558 1.116 -16.415 1.00 28.74 ? 46 PHE A C 1 +ATOM 138 O O . PHE A 1 25 ? -33.846 0.477 -15.659 1.00 28.50 ? 46 PHE A O 1 +ATOM 139 C CB . PHE A 1 25 ? -36.526 2.318 -15.612 1.00 29.15 ? 46 PHE A CB 1 +ATOM 140 C CG . PHE A 1 25 ? -37.178 3.593 -15.141 1.00 31.74 ? 46 PHE A CG 1 +ATOM 141 C CD1 . PHE A 1 25 ? -37.953 4.361 -16.014 1.00 32.60 ? 46 PHE A CD1 1 +ATOM 142 C CD2 . PHE A 1 25 ? -37.028 4.018 -13.829 1.00 30.14 ? 46 PHE A CD2 1 +ATOM 143 C CE1 . PHE A 1 25 ? -38.580 5.549 -15.571 1.00 33.60 ? 46 PHE A CE1 1 +ATOM 144 C CE2 . PHE A 1 25 ? -37.643 5.195 -13.374 1.00 31.51 ? 46 PHE A CE2 1 +ATOM 145 C CZ . PHE A 1 25 ? -38.425 5.963 -14.248 1.00 30.04 ? 46 PHE A CZ 1 +ATOM 146 N N . LEU A 1 26 ? -34.991 0.637 -17.568 1.00 27.80 ? 47 LEU A N 1 +ATOM 147 C CA . LEU A 1 26 ? -34.590 -0.687 -18.025 1.00 29.60 ? 47 LEU A CA 1 +ATOM 148 C C . LEU A 1 26 ? -33.133 -0.803 -18.533 1.00 28.76 ? 47 LEU A C 1 +ATOM 149 O O . LEU A 1 26 ? -32.532 -1.871 -18.470 1.00 26.84 ? 47 LEU A O 1 +ATOM 150 C CB . LEU A 1 26 ? -35.528 -1.126 -19.140 1.00 30.56 ? 47 LEU A CB 1 +ATOM 151 C CG . LEU A 1 26 ? -36.717 -1.961 -18.692 1.00 33.34 ? 47 LEU A CG 1 +ATOM 152 C CD1 . LEU A 1 26 ? -37.193 -1.543 -17.323 1.00 33.30 ? 47 LEU A CD1 1 +ATOM 153 C CD2 . LEU A 1 26 ? -37.770 -1.807 -19.729 1.00 33.74 ? 47 LEU A CD2 1 +ATOM 154 N N . GLY A 1 27 ? -32.577 0.299 -19.023 1.00 30.03 ? 48 GLY A N 1 +ATOM 155 C CA . GLY A 1 27 ? -31.231 0.241 -19.579 1.00 29.04 ? 48 GLY A CA 1 +ATOM 156 C C . GLY A 1 27 ? -31.428 -0.574 -20.835 1.00 26.59 ? 48 GLY A C 1 +ATOM 157 O O . GLY A 1 27 ? -32.356 -0.304 -21.612 1.00 25.77 ? 48 GLY A O 1 +ATOM 158 N N . ASN A 1 28 ? -30.595 -1.598 -21.021 1.00 27.92 ? 49 ASN A N 1 +ATOM 159 C CA . ASN A 1 28 ? -30.708 -2.467 -22.192 1.00 25.90 ? 49 ASN A CA 1 +ATOM 160 C C . ASN A 1 28 ? -31.244 -3.861 -21.932 1.00 24.39 ? 49 ASN A C 1 +ATOM 161 O O . ASN A 1 28 ? -31.090 -4.736 -22.771 1.00 26.28 ? 49 ASN A O 1 +ATOM 162 C CB . ASN A 1 28 ? -29.331 -2.585 -22.872 1.00 25.87 ? 49 ASN A CB 1 +ATOM 163 C CG . ASN A 1 28 ? -28.759 -1.232 -23.223 1.00 23.18 ? 49 ASN A CG 1 +ATOM 164 O OD1 . ASN A 1 28 ? -27.903 -0.679 -22.511 1.00 23.59 ? 49 ASN A OD1 1 +ATOM 165 N ND2 . ASN A 1 28 ? -29.248 -0.678 -24.310 1.00 26.18 ? 49 ASN A ND2 1 +ATOM 166 N N . ILE A 1 29 ? -31.924 -4.094 -20.817 1.00 25.52 ? 50 ILE A N 1 +ATOM 167 C CA . ILE A 1 29 ? -32.342 -5.452 -20.570 1.00 25.13 ? 50 ILE A CA 1 +ATOM 168 C C . ILE A 1 29 ? -33.355 -6.086 -21.496 1.00 25.67 ? 50 ILE A C 1 +ATOM 169 O O . ILE A 1 29 ? -33.406 -7.295 -21.572 1.00 26.71 ? 50 ILE A O 1 +ATOM 170 C CB . ILE A 1 29 ? -32.802 -5.663 -19.096 1.00 27.05 ? 50 ILE A CB 1 +ATOM 171 C CG1 . ILE A 1 29 ? -34.054 -4.843 -18.797 1.00 25.26 ? 50 ILE A CG1 1 +ATOM 172 C CG2 . ILE A 1 29 ? -31.681 -5.246 -18.146 1.00 26.71 ? 50 ILE A CG2 1 +ATOM 173 C CD1 . ILE A 1 29 ? -34.592 -5.131 -17.415 1.00 34.34 ? 50 ILE A CD1 1 +ATOM 174 N N . LEU A 1 30 ? -34.151 -5.313 -22.212 1.00 27.16 ? 51 LEU A N 1 +ATOM 175 C CA . LEU A 1 30 ? -35.099 -5.976 -23.101 1.00 29.65 ? 51 LEU A CA 1 +ATOM 176 C C . LEU A 1 30 ? -34.311 -6.653 -24.259 1.00 30.55 ? 51 LEU A C 1 +ATOM 177 O O . LEU A 1 30 ? -34.841 -7.536 -24.935 1.00 29.48 ? 51 LEU A O 1 +ATOM 178 C CB . LEU A 1 30 ? -36.135 -4.982 -23.673 1.00 29.76 ? 51 LEU A CB 1 +ATOM 179 C CG . LEU A 1 30 ? -37.013 -4.235 -22.649 1.00 32.98 ? 51 LEU A CG 1 +ATOM 180 C CD1 . LEU A 1 30 ? -38.028 -3.407 -23.395 1.00 32.03 ? 51 LEU A CD1 1 +ATOM 181 C CD2 . LEU A 1 30 ? -37.710 -5.214 -21.717 1.00 30.23 ? 51 LEU A CD2 1 +ATOM 182 N N . SER A 1 31 ? -33.057 -6.259 -24.483 1.00 31.07 ? 52 SER A N 1 +ATOM 183 C CA . SER A 1 31 ? -32.311 -6.919 -25.563 1.00 33.33 ? 52 SER A CA 1 +ATOM 184 C C . SER A 1 31 ? -31.853 -8.315 -25.139 1.00 33.63 ? 52 SER A C 1 +ATOM 185 O O . SER A 1 31 ? -31.180 -9.011 -25.908 1.00 36.50 ? 52 SER A O 1 +ATOM 186 C CB . SER A 1 31 ? -31.093 -6.101 -25.995 1.00 33.28 ? 52 SER A CB 1 +ATOM 187 O OG . SER A 1 31 ? -31.503 -4.863 -26.540 1.00 34.66 ? 52 SER A OG 1 +ATOM 188 N N . TYR A 1 32 ? -32.207 -8.723 -23.917 1.00 31.98 ? 53 TYR A N 1 +ATOM 189 C CA . TYR A 1 32 ? -31.845 -10.047 -23.435 1.00 31.65 ? 53 TYR A CA 1 +ATOM 190 C C . TYR A 1 32 ? -32.935 -11.035 -23.789 1.00 31.54 ? 53 TYR A C 1 +ATOM 191 O O . TYR A 1 32 ? -32.909 -12.172 -23.318 1.00 33.85 ? 53 TYR A O 1 +ATOM 192 C CB . TYR A 1 32 ? -31.670 -10.056 -21.908 1.00 30.45 ? 53 TYR A CB 1 +ATOM 193 C CG . TYR A 1 32 ? -30.381 -9.462 -21.402 1.00 31.31 ? 53 TYR A CG 1 +ATOM 194 C CD1 . TYR A 1 32 ? -30.352 -8.731 -20.214 1.00 30.22 ? 53 TYR A CD1 1 +ATOM 195 C CD2 . TYR A 1 32 ? -29.170 -9.661 -22.091 1.00 34.51 ? 53 TYR A CD2 1 +ATOM 196 C CE1 . TYR A 1 32 ? -29.160 -8.207 -19.708 1.00 31.73 ? 53 TYR A CE1 1 +ATOM 197 C CE2 . TYR A 1 32 ? -27.956 -9.142 -21.588 1.00 33.06 ? 53 TYR A CE2 1 +ATOM 198 C CZ . TYR A 1 32 ? -27.957 -8.422 -20.407 1.00 31.59 ? 53 TYR A CZ 1 +ATOM 199 O OH . TYR A 1 32 ? -26.770 -7.928 -19.905 1.00 31.18 ? 53 TYR A OH 1 +ATOM 200 N N . HIS A 1 33 ? -33.895 -10.628 -24.614 1.00 33.87 ? 54 HIS A N 1 +ATOM 201 C CA . HIS A 1 33 ? -34.990 -11.530 -24.952 1.00 36.27 ? 54 HIS A CA 1 +ATOM 202 C C . HIS A 1 33 ? -34.495 -12.795 -25.634 1.00 37.60 ? 54 HIS A C 1 +ATOM 203 O O . HIS A 1 33 ? -35.221 -13.789 -25.733 1.00 36.86 ? 54 HIS A O 1 +ATOM 204 C CB . HIS A 1 33 ? -36.062 -10.833 -25.813 1.00 39.09 ? 54 HIS A CB 1 +ATOM 205 C CG . HIS A 1 33 ? -35.581 -10.418 -27.170 1.00 43.78 ? 54 HIS A CG 1 +ATOM 206 N ND1 . HIS A 1 33 ? -34.895 -9.242 -27.391 1.00 45.88 ? 54 HIS A ND1 1 +ATOM 207 C CD2 . HIS A 1 33 ? -35.669 -11.036 -28.371 1.00 44.56 ? 54 HIS A CD2 1 +ATOM 208 C CE1 . HIS A 1 33 ? -34.585 -9.153 -28.673 1.00 47.40 ? 54 HIS A CE1 1 +ATOM 209 N NE2 . HIS A 1 33 ? -35.042 -10.229 -29.290 1.00 47.69 ? 54 HIS A NE2 1 +ATOM 210 N N . LYS A 1 34 ? -33.264 -12.781 -26.129 1.00 38.42 ? 55 LYS A N 1 +ATOM 211 C CA . LYS A 1 34 ? -32.774 -14.011 -26.709 1.00 38.74 ? 55 LYS A CA 1 +ATOM 212 C C . LYS A 1 34 ? -31.640 -14.603 -25.907 1.00 36.92 ? 55 LYS A C 1 +ATOM 213 O O . LYS A 1 34 ? -30.998 -15.529 -26.364 1.00 38.12 ? 55 LYS A O 1 +ATOM 214 C CB . LYS A 1 34 ? -32.379 -13.820 -28.166 1.00 41.72 ? 55 LYS A CB 1 +ATOM 215 C CG . LYS A 1 34 ? -33.590 -13.818 -29.085 1.00 43.41 ? 55 LYS A CG 1 +ATOM 216 C CD . LYS A 1 34 ? -33.173 -13.873 -30.523 1.00 47.36 ? 55 LYS A CD 1 +ATOM 217 C CE . LYS A 1 34 ? -34.338 -13.528 -31.436 1.00 49.24 ? 55 LYS A CE 1 +ATOM 218 N NZ . LYS A 1 34 ? -33.812 -13.109 -32.769 1.00 51.28 ? 55 LYS A NZ 1 +ATOM 219 N N . GLY A 1 35 ? -31.399 -14.086 -24.700 1.00 35.09 ? 56 GLY A N 1 +ATOM 220 C CA . GLY A 1 35 ? -30.332 -14.635 -23.874 1.00 30.57 ? 56 GLY A CA 1 +ATOM 221 C C . GLY A 1 35 ? -29.075 -13.790 -23.873 1.00 28.89 ? 56 GLY A C 1 +ATOM 222 O O . GLY A 1 35 ? -28.877 -12.976 -24.768 1.00 30.52 ? 56 GLY A O 1 +ATOM 223 N N . PHE A 1 36 ? -28.214 -13.975 -22.883 1.00 27.26 ? 57 PHE A N 1 +ATOM 224 C CA . PHE A 1 36 ? -26.988 -13.193 -22.812 1.00 28.67 ? 57 PHE A CA 1 +ATOM 225 C C . PHE A 1 36 ? -26.069 -13.391 -24.036 1.00 30.46 ? 57 PHE A C 1 +ATOM 226 O O . PHE A 1 36 ? -25.579 -12.423 -24.612 1.00 30.72 ? 57 PHE A O 1 +ATOM 227 C CB . PHE A 1 36 ? -26.155 -13.546 -21.573 1.00 28.37 ? 57 PHE A CB 1 +ATOM 228 C CG . PHE A 1 36 ? -26.815 -13.232 -20.264 1.00 31.29 ? 57 PHE A CG 1 +ATOM 229 C CD1 . PHE A 1 36 ? -27.245 -14.267 -19.425 1.00 30.32 ? 57 PHE A CD1 1 +ATOM 230 C CD2 . PHE A 1 36 ? -26.982 -11.911 -19.853 1.00 30.43 ? 57 PHE A CD2 1 +ATOM 231 C CE1 . PHE A 1 36 ? -27.835 -13.995 -18.195 1.00 32.90 ? 57 PHE A CE1 1 +ATOM 232 C CE2 . PHE A 1 36 ? -27.581 -11.608 -18.608 1.00 33.17 ? 57 PHE A CE2 1 +ATOM 233 C CZ . PHE A 1 36 ? -28.009 -12.655 -17.780 1.00 33.12 ? 57 PHE A CZ 1 +ATOM 234 N N . CYS A 1 37 ? -25.843 -14.643 -24.414 1.00 30.02 ? 58 CYS A N 1 +ATOM 235 C CA . CYS A 1 37 ? -24.940 -14.954 -25.521 1.00 34.69 ? 58 CYS A CA 1 +ATOM 236 C C . CYS A 1 37 ? -25.340 -14.378 -26.871 1.00 34.23 ? 58 CYS A C 1 +ATOM 237 O O . CYS A 1 37 ? -24.493 -13.929 -27.618 1.00 34.83 ? 58 CYS A O 1 +ATOM 238 C CB . CYS A 1 37 ? -24.771 -16.469 -25.616 1.00 36.27 ? 58 CYS A CB 1 +ATOM 239 S SG . CYS A 1 37 ? -24.125 -17.126 -24.058 1.00 44.19 ? 58 CYS A SG 1 +ATOM 240 N N . MET A 1 38 ? -26.625 -14.367 -27.186 1.00 34.37 ? 59 MET A N 1 +ATOM 241 C CA . MET A 1 38 ? -27.025 -13.819 -28.468 1.00 34.07 ? 59 MET A CA 1 +ATOM 242 C C . MET A 1 38 ? -26.807 -12.308 -28.397 1.00 33.71 ? 59 MET A C 1 +ATOM 243 O O . MET A 1 38 ? -26.367 -11.684 -29.351 1.00 31.44 ? 59 MET A O 1 +ATOM 244 C CB . MET A 1 38 ? -28.489 -14.140 -28.754 1.00 38.41 ? 59 MET A CB 1 +ATOM 245 C CG . MET A 1 38 ? -28.787 -15.623 -28.864 1.00 46.19 ? 59 MET A CG 1 +ATOM 246 S SD . MET A 1 38 ? -27.662 -16.503 -30.029 1.00 56.09 ? 59 MET A SD 1 +ATOM 247 C CE . MET A 1 38 ? -26.720 -17.637 -28.841 1.00 52.56 ? 59 MET A CE 1 +ATOM 248 N N . PHE A 1 39 ? -27.094 -11.726 -27.242 1.00 31.37 ? 60 PHE A N 1 +ATOM 249 C CA . PHE A 1 39 ? -26.908 -10.296 -27.085 1.00 30.30 ? 60 PHE A CA 1 +ATOM 250 C C . PHE A 1 39 ? -25.432 -9.917 -27.251 1.00 28.57 ? 60 PHE A C 1 +ATOM 251 O O . PHE A 1 39 ? -25.108 -8.938 -27.928 1.00 26.15 ? 60 PHE A O 1 +ATOM 252 C CB . PHE A 1 39 ? -27.398 -9.841 -25.713 1.00 28.80 ? 60 PHE A CB 1 +ATOM 253 C CG . PHE A 1 39 ? -27.085 -8.385 -25.399 1.00 31.12 ? 60 PHE A CG 1 +ATOM 254 C CD1 . PHE A 1 39 ? -27.718 -7.344 -26.084 1.00 30.56 ? 60 PHE A CD1 1 +ATOM 255 C CD2 . PHE A 1 39 ? -26.194 -8.067 -24.393 1.00 27.53 ? 60 PHE A CD2 1 +ATOM 256 C CE1 . PHE A 1 39 ? -27.467 -6.001 -25.760 1.00 30.09 ? 60 PHE A CE1 1 +ATOM 257 C CE2 . PHE A 1 39 ? -25.935 -6.735 -24.054 1.00 29.25 ? 60 PHE A CE2 1 +ATOM 258 C CZ . PHE A 1 39 ? -26.571 -5.703 -24.736 1.00 27.78 ? 60 PHE A CZ 1 +ATOM 259 N N . ASP A 1 40 ? -24.545 -10.683 -26.624 1.00 28.10 ? 61 ASP A N 1 +ATOM 260 C CA . ASP A 1 40 ? -23.119 -10.405 -26.722 1.00 31.49 ? 61 ASP A CA 1 +ATOM 261 C C . ASP A 1 40 ? -22.533 -10.608 -28.152 1.00 31.25 ? 61 ASP A C 1 +ATOM 262 O O . ASP A 1 40 ? -21.596 -9.904 -28.553 1.00 31.01 ? 61 ASP A O 1 +ATOM 263 C CB . ASP A 1 40 ? -22.345 -11.283 -25.750 1.00 30.60 ? 61 ASP A CB 1 +ATOM 264 C CG . ASP A 1 40 ? -22.541 -10.884 -24.292 1.00 32.34 ? 61 ASP A CG 1 +ATOM 265 O OD1 . ASP A 1 40 ? -23.126 -9.806 -23.978 1.00 31.46 ? 61 ASP A OD1 1 +ATOM 266 O OD2 . ASP A 1 40 ? -22.081 -11.680 -23.448 1.00 30.40 ? 61 ASP A OD2 1 +ATOM 267 N N . MET A 1 41 ? -23.085 -11.565 -28.897 1.00 32.31 ? 62 MET A N 1 +ATOM 268 C CA . MET A 1 41 ? -22.599 -11.838 -30.246 1.00 36.39 ? 62 MET A CA 1 +ATOM 269 C C . MET A 1 41 ? -23.021 -10.710 -31.136 1.00 34.87 ? 62 MET A C 1 +ATOM 270 O O . MET A 1 41 ? -22.229 -10.231 -31.932 1.00 35.11 ? 62 MET A O 1 +ATOM 271 C CB . MET A 1 41 ? -23.189 -13.116 -30.807 1.00 35.91 ? 62 MET A CB 1 +ATOM 272 C CG . MET A 1 41 ? -22.864 -14.295 -29.986 1.00 41.37 ? 62 MET A CG 1 +ATOM 273 S SD . MET A 1 41 ? -21.985 -15.470 -30.947 1.00 47.13 ? 62 MET A SD 1 +ATOM 274 C CE . MET A 1 41 ? -20.368 -15.165 -30.388 1.00 41.29 ? 62 MET A CE 1 +ATOM 275 N N . GLU A 1 42 ? -24.265 -10.274 -30.976 1.00 34.26 ? 63 GLU A N 1 +ATOM 276 C CA . GLU A 1 42 ? -24.765 -9.200 -31.807 1.00 37.14 ? 63 GLU A CA 1 +ATOM 277 C C . GLU A 1 42 ? -24.071 -7.894 -31.481 1.00 36.94 ? 63 GLU A C 1 +ATOM 278 O O . GLU A 1 42 ? -23.818 -7.078 -32.389 1.00 37.52 ? 63 GLU A O 1 +ATOM 279 C CB . GLU A 1 42 ? -26.271 -9.050 -31.677 1.00 39.85 ? 63 GLU A CB 1 +ATOM 280 C CG . GLU A 1 42 ? -27.050 -10.282 -32.079 1.00 46.81 ? 63 GLU A CG 1 +ATOM 281 C CD . GLU A 1 42 ? -28.565 -10.050 -32.038 1.00 52.64 ? 63 GLU A CD 1 +ATOM 282 O OE1 . GLU A 1 42 ? -28.999 -8.985 -31.520 1.00 54.73 ? 63 GLU A OE1 1 +ATOM 283 O OE2 . GLU A 1 42 ? -29.321 -10.932 -32.519 1.00 54.10 ? 63 GLU A OE2 1 +ATOM 284 N N . CYS A 1 43 ? -23.727 -7.672 -30.217 1.00 35.21 ? 64 CYS A N 1 +ATOM 285 C CA . CYS A 1 43 ? -23.042 -6.418 -29.911 1.00 34.31 ? 64 CYS A CA 1 +ATOM 286 C C . CYS A 1 43 ? -21.628 -6.465 -30.472 1.00 34.62 ? 64 CYS A C 1 +ATOM 287 O O . CYS A 1 43 ? -21.119 -5.461 -30.972 1.00 34.13 ? 64 CYS A O 1 +ATOM 288 C CB . CYS A 1 43 ? -22.967 -6.150 -28.404 1.00 33.03 ? 64 CYS A CB 1 +ATOM 289 S SG . CYS A 1 43 ? -24.513 -5.599 -27.670 1.00 32.39 ? 64 CYS A SG 1 +ATOM 290 N N . HIS A 1 44 ? -20.982 -7.619 -30.346 1.00 34.96 ? 65 HIS A N 1 +ATOM 291 C CA . HIS A 1 44 ? -19.612 -7.765 -30.829 1.00 36.10 ? 65 HIS A CA 1 +ATOM 292 C C . HIS A 1 44 ? -19.578 -7.399 -32.301 1.00 37.08 ? 65 HIS A C 1 +ATOM 293 O O . HIS A 1 44 ? -18.756 -6.631 -32.749 1.00 38.36 ? 65 HIS A O 1 +ATOM 294 C CB . HIS A 1 44 ? -19.123 -9.203 -30.686 1.00 34.83 ? 65 HIS A CB 1 +ATOM 295 C CG . HIS A 1 44 ? -17.653 -9.357 -30.913 1.00 37.49 ? 65 HIS A CG 1 +ATOM 296 N ND1 . HIS A 1 44 ? -17.066 -10.569 -31.205 1.00 37.19 ? 65 HIS A ND1 1 +ATOM 297 C CD2 . HIS A 1 44 ? -16.636 -8.467 -30.798 1.00 37.65 ? 65 HIS A CD2 1 +ATOM 298 C CE1 . HIS A 1 44 ? -15.754 -10.423 -31.252 1.00 38.80 ? 65 HIS A CE1 1 +ATOM 299 N NE2 . HIS A 1 44 ? -15.465 -9.159 -31.007 1.00 39.32 ? 65 HIS A NE2 1 +ATOM 300 N N . LYS A 1 45 ? -20.514 -7.970 -33.029 1.00 39.08 ? 66 LYS A N 1 +ATOM 301 C CA . LYS A 1 45 ? -20.651 -7.776 -34.439 1.00 42.83 ? 66 LYS A CA 1 +ATOM 302 C C . LYS A 1 45 ? -20.878 -6.317 -34.839 1.00 45.16 ? 66 LYS A C 1 +ATOM 303 O O . LYS A 1 45 ? -20.157 -5.800 -35.697 1.00 45.73 ? 66 LYS A O 1 +ATOM 304 C CB . LYS A 1 45 ? -21.787 -8.676 -34.919 1.00 45.22 ? 66 LYS A CB 1 +ATOM 305 C CG . LYS A 1 45 ? -22.259 -8.463 -36.332 1.00 48.62 ? 66 LYS A CG 1 +ATOM 306 C CD . LYS A 1 45 ? -23.781 -8.505 -36.352 1.00 50.70 ? 66 LYS A CD 1 +ATOM 307 C CE . LYS A 1 45 ? -24.347 -7.566 -35.273 1.00 50.56 ? 66 LYS A CE 1 +ATOM 308 N NZ . LYS A 1 45 ? -25.840 -7.522 -35.179 1.00 50.55 ? 66 LYS A NZ 1 +ATOM 309 N N . LYS A 1 46 ? -21.839 -5.626 -34.220 1.00 45.89 ? 67 LYS A N 1 +ATOM 310 C CA . LYS A 1 46 ? -22.077 -4.253 -34.637 1.00 44.62 ? 67 LYS A CA 1 +ATOM 311 C C . LYS A 1 46 ? -21.244 -3.167 -33.980 1.00 43.74 ? 67 LYS A C 1 +ATOM 312 O O . LYS A 1 46 ? -21.105 -2.081 -34.534 1.00 43.74 ? 67 LYS A O 1 +ATOM 313 C CB . LYS A 1 46 ? -23.572 -3.897 -34.548 1.00 46.38 ? 67 LYS A CB 1 +ATOM 314 C CG . LYS A 1 46 ? -24.217 -4.086 -33.213 1.00 48.84 ? 67 LYS A CG 1 +ATOM 315 C CD . LYS A 1 46 ? -25.678 -3.601 -33.203 1.00 50.46 ? 67 LYS A CD 1 +ATOM 316 C CE . LYS A 1 46 ? -26.569 -4.387 -34.170 1.00 52.54 ? 67 LYS A CE 1 +ATOM 317 N NZ . LYS A 1 46 ? -28.031 -4.008 -34.014 1.00 53.25 ? 67 LYS A NZ 1 +ATOM 318 N N . TYR A 1 47 ? -20.644 -3.437 -32.837 1.00 40.58 ? 68 TYR A N 1 +ATOM 319 C CA . TYR A 1 47 ? -19.893 -2.376 -32.210 1.00 39.35 ? 68 TYR A CA 1 +ATOM 320 C C . TYR A 1 47 ? -18.397 -2.477 -32.260 1.00 38.82 ? 68 TYR A C 1 +ATOM 321 O O . TYR A 1 47 ? -17.700 -1.477 -32.055 1.00 38.25 ? 68 TYR A O 1 +ATOM 322 C CB . TYR A 1 47 ? -20.364 -2.208 -30.771 1.00 36.70 ? 68 TYR A CB 1 +ATOM 323 C CG . TYR A 1 47 ? -21.837 -1.896 -30.733 1.00 39.05 ? 68 TYR A CG 1 +ATOM 324 C CD1 . TYR A 1 47 ? -22.731 -2.709 -30.019 1.00 36.69 ? 68 TYR A CD1 1 +ATOM 325 C CD2 . TYR A 1 47 ? -22.352 -0.793 -31.436 1.00 38.61 ? 68 TYR A CD2 1 +ATOM 326 C CE1 . TYR A 1 47 ? -24.085 -2.435 -30.012 1.00 35.91 ? 68 TYR A CE1 1 +ATOM 327 C CE2 . TYR A 1 47 ? -23.713 -0.505 -31.430 1.00 38.48 ? 68 TYR A CE2 1 +ATOM 328 C CZ . TYR A 1 47 ? -24.572 -1.333 -30.717 1.00 36.75 ? 68 TYR A CZ 1 +ATOM 329 O OH . TYR A 1 47 ? -25.908 -1.072 -30.708 1.00 38.53 ? 68 TYR A OH 1 +ATOM 330 N N . GLY A 1 48 ? -17.882 -3.672 -32.511 1.00 39.40 ? 69 GLY A N 1 +ATOM 331 C CA . GLY A 1 48 ? -16.433 -3.793 -32.584 1.00 38.14 ? 69 GLY A CA 1 +ATOM 332 C C . GLY A 1 48 ? -15.782 -4.420 -31.380 1.00 38.69 ? 69 GLY A C 1 +ATOM 333 O O . GLY A 1 48 ? -16.360 -5.290 -30.725 1.00 40.38 ? 69 GLY A O 1 +ATOM 334 N N . LYS A 1 49 ? -14.580 -3.957 -31.070 1.00 38.81 ? 70 LYS A N 1 +ATOM 335 C CA . LYS A 1 49 ? -13.792 -4.489 -29.968 1.00 39.53 ? 70 LYS A CA 1 +ATOM 336 C C . LYS A 1 49 ? -14.227 -4.128 -28.547 1.00 38.25 ? 70 LYS A C 1 +ATOM 337 O O . LYS A 1 49 ? -13.884 -4.827 -27.599 1.00 37.97 ? 70 LYS A O 1 +ATOM 338 C CB . LYS A 1 49 ? -12.337 -4.069 -30.147 1.00 39.81 ? 70 LYS A CB 1 +ATOM 339 C CG . LYS A 1 49 ? -12.121 -2.552 -30.125 1.00 44.09 ? 70 LYS A CG 1 +ATOM 340 C CD . LYS A 1 49 ? -11.564 -2.059 -28.768 1.00 46.45 ? 70 LYS A CD 1 +ATOM 341 C CE . LYS A 1 49 ? -10.377 -2.929 -28.289 1.00 47.41 ? 70 LYS A CE 1 +ATOM 342 N NZ . LYS A 1 49 ? -9.693 -2.443 -27.040 1.00 49.91 ? 70 LYS A NZ 1 +ATOM 343 N N . VAL A 1 50 ? -14.945 -3.025 -28.393 1.00 37.51 ? 71 VAL A N 1 +ATOM 344 C CA . VAL A 1 50 ? -15.371 -2.591 -27.073 1.00 35.75 ? 71 VAL A CA 1 +ATOM 345 C C . VAL A 1 50 ? -16.725 -1.937 -27.197 1.00 34.56 ? 71 VAL A C 1 +ATOM 346 O O . VAL A 1 50 ? -17.028 -1.281 -28.188 1.00 32.40 ? 71 VAL A O 1 +ATOM 347 C CB . VAL A 1 50 ? -14.349 -1.605 -26.447 1.00 38.42 ? 71 VAL A CB 1 +ATOM 348 C CG1 . VAL A 1 50 ? -14.915 -0.964 -25.216 1.00 39.31 ? 71 VAL A CG1 1 +ATOM 349 C CG2 . VAL A 1 50 ? -13.108 -2.346 -26.037 1.00 40.04 ? 71 VAL A CG2 1 +ATOM 350 N N . TRP A 1 51 ? -17.577 -2.164 -26.210 1.00 31.35 ? 72 TRP A N 1 +ATOM 351 C CA . TRP A 1 51 ? -18.891 -1.570 -26.255 1.00 30.42 ? 72 TRP A CA 1 +ATOM 352 C C . TRP A 1 51 ? -19.473 -1.503 -24.855 1.00 29.80 ? 72 TRP A C 1 +ATOM 353 O O . TRP A 1 51 ? -19.008 -2.166 -23.929 1.00 30.81 ? 72 TRP A O 1 +ATOM 354 C CB . TRP A 1 51 ? -19.809 -2.327 -27.229 1.00 28.52 ? 72 TRP A CB 1 +ATOM 355 C CG . TRP A 1 51 ? -20.162 -3.706 -26.824 1.00 32.75 ? 72 TRP A CG 1 +ATOM 356 C CD1 . TRP A 1 51 ? -21.196 -4.092 -26.008 1.00 32.96 ? 72 TRP A CD1 1 +ATOM 357 C CD2 . TRP A 1 51 ? -19.484 -4.894 -27.206 1.00 33.97 ? 72 TRP A CD2 1 +ATOM 358 N NE1 . TRP A 1 51 ? -21.194 -5.448 -25.865 1.00 34.46 ? 72 TRP A NE1 1 +ATOM 359 C CE2 . TRP A 1 51 ? -20.155 -5.971 -26.589 1.00 35.73 ? 72 TRP A CE2 1 +ATOM 360 C CE3 . TRP A 1 51 ? -18.363 -5.160 -28.015 1.00 34.09 ? 72 TRP A CE3 1 +ATOM 361 C CZ2 . TRP A 1 51 ? -19.750 -7.298 -26.753 1.00 34.21 ? 72 TRP A CZ2 1 +ATOM 362 C CZ3 . TRP A 1 51 ? -17.958 -6.476 -28.175 1.00 32.41 ? 72 TRP A CZ3 1 +ATOM 363 C CH2 . TRP A 1 51 ? -18.655 -7.534 -27.542 1.00 35.55 ? 72 TRP A CH2 1 +ATOM 364 N N . GLY A 1 52 ? -20.492 -0.683 -24.703 1.00 31.03 ? 73 GLY A N 1 +ATOM 365 C CA . GLY A 1 52 ? -21.064 -0.512 -23.387 1.00 31.13 ? 73 GLY A CA 1 +ATOM 366 C C . GLY A 1 52 ? -22.560 -0.646 -23.423 1.00 31.04 ? 73 GLY A C 1 +ATOM 367 O O . GLY A 1 52 ? -23.204 -0.403 -24.453 1.00 32.42 ? 73 GLY A O 1 +ATOM 368 N N . PHE A 1 53 ? -23.106 -1.108 -22.302 1.00 30.77 ? 74 PHE A N 1 +ATOM 369 C CA . PHE A 1 53 ? -24.527 -1.223 -22.191 1.00 27.71 ? 74 PHE A CA 1 +ATOM 370 C C . PHE A 1 53 ? -24.911 -1.103 -20.714 1.00 26.21 ? 74 PHE A C 1 +ATOM 371 O O . PHE A 1 53 ? -24.047 -1.013 -19.819 1.00 24.04 ? 74 PHE A O 1 +ATOM 372 C CB . PHE A 1 53 ? -25.030 -2.512 -22.849 1.00 26.27 ? 74 PHE A CB 1 +ATOM 373 C CG . PHE A 1 53 ? -24.507 -3.762 -22.227 1.00 28.72 ? 74 PHE A CG 1 +ATOM 374 C CD1 . PHE A 1 53 ? -25.183 -4.369 -21.177 1.00 27.27 ? 74 PHE A CD1 1 +ATOM 375 C CD2 . PHE A 1 53 ? -23.302 -4.308 -22.653 1.00 28.82 ? 74 PHE A CD2 1 +ATOM 376 C CE1 . PHE A 1 53 ? -24.660 -5.504 -20.548 1.00 28.33 ? 74 PHE A CE1 1 +ATOM 377 C CE2 . PHE A 1 53 ? -22.770 -5.428 -22.039 1.00 29.07 ? 74 PHE A CE2 1 +ATOM 378 C CZ . PHE A 1 53 ? -23.452 -6.033 -20.975 1.00 31.58 ? 74 PHE A CZ 1 +ATOM 379 N N . TYR A 1 54 ? -26.209 -1.082 -20.466 1.00 26.44 ? 75 TYR A N 1 +ATOM 380 C CA . TYR A 1 54 ? -26.685 -0.886 -19.084 1.00 26.80 ? 75 TYR A CA 1 +ATOM 381 C C . TYR A 1 54 ? -27.677 -1.945 -18.600 1.00 23.74 ? 75 TYR A C 1 +ATOM 382 O O . TYR A 1 54 ? -28.691 -2.183 -19.256 1.00 24.75 ? 75 TYR A O 1 +ATOM 383 C CB . TYR A 1 54 ? -27.329 0.516 -18.963 1.00 27.03 ? 75 TYR A CB 1 +ATOM 384 C CG . TYR A 1 54 ? -26.410 1.662 -19.351 1.00 30.39 ? 75 TYR A CG 1 +ATOM 385 C CD1 . TYR A 1 54 ? -26.244 2.040 -20.696 1.00 29.99 ? 75 TYR A CD1 1 +ATOM 386 C CD2 . TYR A 1 54 ? -25.710 2.380 -18.371 1.00 33.18 ? 75 TYR A CD2 1 +ATOM 387 C CE1 . TYR A 1 54 ? -25.399 3.116 -21.056 1.00 31.33 ? 75 TYR A CE1 1 +ATOM 388 C CE2 . TYR A 1 54 ? -24.876 3.457 -18.711 1.00 33.65 ? 75 TYR A CE2 1 +ATOM 389 C CZ . TYR A 1 54 ? -24.725 3.811 -20.056 1.00 32.41 ? 75 TYR A CZ 1 +ATOM 390 O OH . TYR A 1 54 ? -23.888 4.846 -20.373 1.00 30.18 ? 75 TYR A OH 1 +ATOM 391 N N . ASP A 1 55 ? -27.355 -2.611 -17.492 1.00 22.63 ? 76 ASP A N 1 +ATOM 392 C CA . ASP A 1 55 ? -28.258 -3.594 -16.899 1.00 25.65 ? 76 ASP A CA 1 +ATOM 393 C C . ASP A 1 55 ? -28.989 -2.711 -15.862 1.00 24.97 ? 76 ASP A C 1 +ATOM 394 O O . ASP A 1 55 ? -28.536 -2.538 -14.735 1.00 27.97 ? 76 ASP A O 1 +ATOM 395 C CB . ASP A 1 55 ? -27.466 -4.721 -16.231 1.00 26.19 ? 76 ASP A CB 1 +ATOM 396 C CG . ASP A 1 55 ? -26.855 -5.690 -17.253 1.00 28.70 ? 76 ASP A CG 1 +ATOM 397 O OD1 . ASP A 1 55 ? -27.348 -5.790 -18.424 1.00 25.67 ? 76 ASP A OD1 1 +ATOM 398 O OD2 . ASP A 1 55 ? -25.889 -6.370 -16.875 1.00 29.69 ? 76 ASP A OD2 1 +ATOM 399 N N . GLY A 1 56 ? -30.095 -2.122 -16.285 1.00 26.36 ? 77 GLY A N 1 +ATOM 400 C CA . GLY A 1 56 ? -30.792 -1.170 -15.429 1.00 29.05 ? 77 GLY A CA 1 +ATOM 401 C C . GLY A 1 56 ? -29.952 0.122 -15.442 1.00 28.19 ? 77 GLY A C 1 +ATOM 402 O O . GLY A 1 56 ? -29.751 0.732 -16.481 1.00 25.93 ? 77 GLY A O 1 +ATOM 403 N N . GLN A 1 57 ? -29.430 0.537 -14.301 1.00 29.67 ? 78 GLN A N 1 +ATOM 404 C CA . GLN A 1 57 ? -28.609 1.745 -14.255 1.00 32.22 ? 78 GLN A CA 1 +ATOM 405 C C . GLN A 1 57 ? -27.116 1.392 -14.183 1.00 30.82 ? 78 GLN A C 1 +ATOM 406 O O . GLN A 1 57 ? -26.264 2.278 -14.174 1.00 32.35 ? 78 GLN A O 1 +ATOM 407 C CB . GLN A 1 57 ? -29.002 2.583 -13.028 1.00 33.60 ? 78 GLN A CB 1 +ATOM 408 C CG . GLN A 1 57 ? -30.451 3.069 -13.046 1.00 40.36 ? 78 GLN A CG 1 +ATOM 409 C CD . GLN A 1 57 ? -30.741 3.994 -14.211 1.00 41.69 ? 78 GLN A CD 1 +ATOM 410 O OE1 . GLN A 1 57 ? -31.893 4.199 -14.577 1.00 46.49 ? 78 GLN A OE1 1 +ATOM 411 N NE2 . GLN A 1 57 ? -29.693 4.564 -14.794 1.00 43.94 ? 78 GLN A NE2 1 +ATOM 412 N N . GLN A 1 58 ? -26.823 0.098 -14.070 1.00 29.54 ? 79 GLN A N 1 +ATOM 413 C CA . GLN A 1 58 ? -25.447 -0.409 -13.984 1.00 29.35 ? 79 GLN A CA 1 +ATOM 414 C C . GLN A 1 58 ? -24.715 -0.429 -15.349 1.00 26.89 ? 79 GLN A C 1 +ATOM 415 O O . GLN A 1 58 ? -25.112 -1.140 -16.269 1.00 27.71 ? 79 GLN A O 1 +ATOM 416 C CB . GLN A 1 58 ? -25.465 -1.817 -13.378 1.00 27.97 ? 79 GLN A CB 1 +ATOM 417 C CG . GLN A 1 58 ? -24.100 -2.474 -13.326 1.00 30.41 ? 79 GLN A CG 1 +ATOM 418 C CD . GLN A 1 58 ? -23.121 -1.667 -12.480 1.00 31.88 ? 79 GLN A CD 1 +ATOM 419 O OE1 . GLN A 1 58 ? -23.260 -1.625 -11.272 1.00 36.05 ? 79 GLN A OE1 1 +ATOM 420 N NE2 . GLN A 1 58 ? -22.137 -1.014 -13.119 1.00 29.77 ? 79 GLN A NE2 1 +ATOM 421 N N . PRO A 1 59 ? -23.655 0.381 -15.493 1.00 28.10 ? 80 PRO A N 1 +ATOM 422 C CA . PRO A 1 59 ? -22.892 0.443 -16.754 1.00 28.48 ? 80 PRO A CA 1 +ATOM 423 C C . PRO A 1 59 ? -22.062 -0.792 -16.933 1.00 25.70 ? 80 PRO A C 1 +ATOM 424 O O . PRO A 1 59 ? -21.389 -1.209 -16.014 1.00 26.57 ? 80 PRO A O 1 +ATOM 425 C CB . PRO A 1 59 ? -21.973 1.664 -16.582 1.00 28.70 ? 80 PRO A CB 1 +ATOM 426 C CG . PRO A 1 59 ? -22.539 2.399 -15.400 1.00 31.91 ? 80 PRO A CG 1 +ATOM 427 C CD . PRO A 1 59 ? -23.111 1.337 -14.512 1.00 29.66 ? 80 PRO A CD 1 +ATOM 428 N N . VAL A 1 60 ? -22.114 -1.385 -18.107 1.00 26.86 ? 81 VAL A N 1 +ATOM 429 C CA . VAL A 1 60 ? -21.289 -2.565 -18.319 1.00 26.96 ? 81 VAL A CA 1 +ATOM 430 C C . VAL A 1 60 ? -20.461 -2.303 -19.576 1.00 26.80 ? 81 VAL A C 1 +ATOM 431 O O . VAL A 1 60 ? -21.017 -1.966 -20.619 1.00 27.68 ? 81 VAL A O 1 +ATOM 432 C CB . VAL A 1 60 ? -22.126 -3.842 -18.557 1.00 24.26 ? 81 VAL A CB 1 +ATOM 433 C CG1 . VAL A 1 60 ? -21.196 -5.053 -18.676 1.00 24.25 ? 81 VAL A CG1 1 +ATOM 434 C CG2 . VAL A 1 60 ? -23.117 -4.054 -17.379 1.00 26.28 ? 81 VAL A CG2 1 +ATOM 435 N N . LEU A 1 61 ? -19.149 -2.476 -19.465 1.00 26.77 ? 82 LEU A N 1 +ATOM 436 C CA . LEU A 1 61 ? -18.258 -2.256 -20.602 1.00 28.84 ? 82 LEU A CA 1 +ATOM 437 C C . LEU A 1 61 ? -17.675 -3.603 -21.059 1.00 25.37 ? 82 LEU A C 1 +ATOM 438 O O . LEU A 1 61 ? -16.880 -4.217 -20.374 1.00 27.26 ? 82 LEU A O 1 +ATOM 439 C CB . LEU A 1 61 ? -17.123 -1.300 -20.221 1.00 30.36 ? 82 LEU A CB 1 +ATOM 440 C CG . LEU A 1 61 ? -16.023 -1.260 -21.306 1.00 30.64 ? 82 LEU A CG 1 +ATOM 441 C CD1 . LEU A 1 61 ? -16.567 -0.639 -22.565 1.00 30.69 ? 82 LEU A CD1 1 +ATOM 442 C CD2 . LEU A 1 61 ? -14.844 -0.508 -20.797 1.00 34.10 ? 82 LEU A CD2 1 +ATOM 443 N N . ALA A 1 62 ? -18.110 -4.067 -22.208 1.00 25.68 ? 83 ALA A N 1 +ATOM 444 C CA . ALA A 1 62 ? -17.608 -5.313 -22.747 1.00 28.60 ? 83 ALA A CA 1 +ATOM 445 C C . ALA A 1 62 ? -16.212 -5.061 -23.372 1.00 29.66 ? 83 ALA A C 1 +ATOM 446 O O . ALA A 1 62 ? -15.990 -4.022 -23.995 1.00 29.98 ? 83 ALA A O 1 +ATOM 447 C CB . ALA A 1 62 ? -18.584 -5.832 -23.823 1.00 29.64 ? 83 ALA A CB 1 +ATOM 448 N N . ILE A 1 63 ? -15.262 -5.966 -23.160 1.00 32.07 ? 84 ILE A N 1 +ATOM 449 C CA . ILE A 1 63 ? -13.957 -5.807 -23.806 1.00 34.08 ? 84 ILE A CA 1 +ATOM 450 C C . ILE A 1 63 ? -13.591 -7.110 -24.524 1.00 36.20 ? 84 ILE A C 1 +ATOM 451 O O . ILE A 1 63 ? -13.960 -8.207 -24.068 1.00 36.79 ? 84 ILE A O 1 +ATOM 452 C CB . ILE A 1 63 ? -12.835 -5.440 -22.815 1.00 33.07 ? 84 ILE A CB 1 +ATOM 453 C CG1 . ILE A 1 63 ? -12.716 -6.511 -21.745 1.00 32.67 ? 84 ILE A CG1 1 +ATOM 454 C CG2 . ILE A 1 63 ? -13.084 -4.049 -22.229 1.00 34.03 ? 84 ILE A CG2 1 +ATOM 455 C CD1 . ILE A 1 63 ? -11.515 -6.352 -20.876 1.00 31.95 ? 84 ILE A CD1 1 +ATOM 456 N N . THR A 1 64 ? -12.877 -6.994 -25.646 1.00 36.73 ? 85 THR A N 1 +ATOM 457 C CA . THR A 1 64 ? -12.475 -8.163 -26.424 1.00 38.34 ? 85 THR A CA 1 +ATOM 458 C C . THR A 1 64 ? -10.975 -8.271 -26.723 1.00 41.03 ? 85 THR A C 1 +ATOM 459 O O . THR A 1 64 ? -10.511 -9.309 -27.229 1.00 40.94 ? 85 THR A O 1 +ATOM 460 C CB . THR A 1 64 ? -13.206 -8.200 -27.754 1.00 37.01 ? 85 THR A CB 1 +ATOM 461 O OG1 . THR A 1 64 ? -12.871 -7.024 -28.498 1.00 38.47 ? 85 THR A OG1 1 +ATOM 462 C CG2 . THR A 1 64 ? -14.727 -8.252 -27.532 1.00 39.55 ? 85 THR A CG2 1 +ATOM 463 N N . ASP A 1 65 ? -10.217 -7.223 -26.420 1.00 42.80 ? 86 ASP A N 1 +ATOM 464 C CA . ASP A 1 65 ? -8.776 -7.242 -26.675 1.00 45.30 ? 86 ASP A CA 1 +ATOM 465 C C . ASP A 1 65 ? -8.011 -8.119 -25.678 1.00 44.79 ? 86 ASP A C 1 +ATOM 466 O O . ASP A 1 65 ? -8.006 -7.844 -24.480 1.00 46.48 ? 86 ASP A O 1 +ATOM 467 C CB . ASP A 1 65 ? -8.198 -5.829 -26.625 1.00 47.67 ? 86 ASP A CB 1 +ATOM 468 C CG . ASP A 1 65 ? -6.750 -5.793 -27.070 1.00 49.63 ? 86 ASP A CG 1 +ATOM 469 O OD1 . ASP A 1 65 ? -6.519 -5.664 -28.288 1.00 52.29 ? 86 ASP A OD1 1 +ATOM 470 O OD2 . ASP A 1 65 ? -5.845 -5.921 -26.206 1.00 53.33 ? 86 ASP A OD2 1 +ATOM 471 N N . PRO A 1 66 ? -7.306 -9.156 -26.172 1.00 43.08 ? 87 PRO A N 1 +ATOM 472 C CA . PRO A 1 66 ? -6.556 -10.053 -25.290 1.00 42.52 ? 87 PRO A CA 1 +ATOM 473 C C . PRO A 1 66 ? -5.663 -9.395 -24.258 1.00 41.82 ? 87 PRO A C 1 +ATOM 474 O O . PRO A 1 66 ? -5.598 -9.859 -23.124 1.00 41.00 ? 87 PRO A O 1 +ATOM 475 C CB . PRO A 1 66 ? -5.757 -10.923 -26.260 1.00 42.06 ? 87 PRO A CB 1 +ATOM 476 C CG . PRO A 1 66 ? -6.581 -10.893 -27.512 1.00 43.33 ? 87 PRO A CG 1 +ATOM 477 C CD . PRO A 1 66 ? -7.053 -9.479 -27.588 1.00 42.87 ? 87 PRO A CD 1 +ATOM 478 N N . ASP A 1 67 ? -4.961 -8.324 -24.620 1.00 42.53 ? 88 ASP A N 1 +ATOM 479 C CA . ASP A 1 67 ? -4.074 -7.706 -23.630 1.00 43.05 ? 88 ASP A CA 1 +ATOM 480 C C . ASP A 1 67 ? -4.866 -7.001 -22.538 1.00 41.74 ? 88 ASP A C 1 +ATOM 481 O O . ASP A 1 67 ? -4.519 -7.051 -21.365 1.00 40.89 ? 88 ASP A O 1 +ATOM 482 C CB . ASP A 1 67 ? -3.114 -6.717 -24.302 1.00 45.15 ? 88 ASP A CB 1 +ATOM 483 C CG . ASP A 1 67 ? -2.061 -7.422 -25.167 1.00 48.73 ? 88 ASP A CG 1 +ATOM 484 O OD1 . ASP A 1 67 ? -1.308 -8.273 -24.629 1.00 50.09 ? 88 ASP A OD1 1 +ATOM 485 O OD2 . ASP A 1 67 ? -1.997 -7.124 -26.379 1.00 48.98 ? 88 ASP A OD2 1 +ATOM 486 N N . MET A 1 68 ? -5.940 -6.345 -22.937 1.00 42.46 ? 89 MET A N 1 +ATOM 487 C CA . MET A 1 68 ? -6.789 -5.641 -21.971 1.00 43.33 ? 89 MET A CA 1 +ATOM 488 C C . MET A 1 68 ? -7.385 -6.657 -21.001 1.00 42.62 ? 89 MET A C 1 +ATOM 489 O O . MET A 1 68 ? -7.437 -6.421 -19.801 1.00 42.83 ? 89 MET A O 1 +ATOM 490 C CB . MET A 1 68 ? -7.903 -4.902 -22.708 1.00 43.73 ? 89 MET A CB 1 +ATOM 491 C CG . MET A 1 68 ? -8.557 -3.796 -21.910 1.00 45.74 ? 89 MET A CG 1 +ATOM 492 S SD . MET A 1 68 ? -9.734 -2.924 -22.960 1.00 47.07 ? 89 MET A SD 1 +ATOM 493 C CE . MET A 1 68 ? -8.602 -2.329 -24.307 1.00 47.54 ? 89 MET A CE 1 +ATOM 494 N N . ILE A 1 69 ? -7.804 -7.802 -21.541 1.00 42.83 ? 90 ILE A N 1 +ATOM 495 C CA . ILE A 1 69 ? -8.404 -8.869 -20.751 1.00 40.60 ? 90 ILE A CA 1 +ATOM 496 C C . ILE A 1 69 ? -7.414 -9.378 -19.731 1.00 41.30 ? 90 ILE A C 1 +ATOM 497 O O . ILE A 1 69 ? -7.779 -9.619 -18.569 1.00 40.08 ? 90 ILE A O 1 +ATOM 498 C CB . ILE A 1 69 ? -8.884 -10.018 -21.661 1.00 38.61 ? 90 ILE A CB 1 +ATOM 499 C CG1 . ILE A 1 69 ? -10.034 -9.504 -22.537 1.00 38.64 ? 90 ILE A CG1 1 +ATOM 500 C CG2 . ILE A 1 69 ? -9.317 -11.225 -20.827 1.00 37.11 ? 90 ILE A CG2 1 +ATOM 501 C CD1 . ILE A 1 69 ? -10.483 -10.468 -23.641 1.00 37.65 ? 90 ILE A CD1 1 +ATOM 502 N N . LYS A 1 70 ? -6.157 -9.531 -20.153 1.00 41.24 ? 91 LYS A N 1 +ATOM 503 C CA . LYS A 1 70 ? -5.126 -10.005 -19.230 1.00 41.52 ? 91 LYS A CA 1 +ATOM 504 C C . LYS A 1 70 ? -4.886 -8.966 -18.134 1.00 39.63 ? 91 LYS A C 1 +ATOM 505 O O . LYS A 1 70 ? -4.652 -9.299 -16.968 1.00 41.59 ? 91 LYS A O 1 +ATOM 506 C CB . LYS A 1 70 ? -3.802 -10.293 -19.976 1.00 42.89 ? 91 LYS A CB 1 +ATOM 507 C CG . LYS A 1 70 ? -2.676 -10.787 -19.046 1.00 43.15 ? 91 LYS A CG 1 +ATOM 508 C CD . LYS A 1 70 ? -1.365 -10.945 -19.807 1.00 47.95 ? 91 LYS A CD 1 +ATOM 509 C CE . LYS A 1 70 ? -0.239 -11.474 -18.910 1.00 49.29 ? 91 LYS A CE 1 +ATOM 510 N NZ . LYS A 1 70 ? 0.994 -11.790 -19.718 1.00 49.23 ? 91 LYS A NZ 1 +ATOM 511 N N . THR A 1 71 ? -4.919 -7.703 -18.527 1.00 40.40 ? 92 THR A N 1 +ATOM 512 C CA . THR A 1 71 ? -4.723 -6.589 -17.601 1.00 40.80 ? 92 THR A CA 1 +ATOM 513 C C . THR A 1 71 ? -5.813 -6.642 -16.521 1.00 40.33 ? 92 THR A C 1 +ATOM 514 O O . THR A 1 71 ? -5.522 -6.541 -15.334 1.00 36.84 ? 92 THR A O 1 +ATOM 515 C CB . THR A 1 71 ? -4.839 -5.251 -18.350 1.00 43.01 ? 92 THR A CB 1 +ATOM 516 O OG1 . THR A 1 71 ? -3.828 -5.173 -19.358 1.00 45.53 ? 92 THR A OG1 1 +ATOM 517 C CG2 . THR A 1 71 ? -4.710 -4.079 -17.385 1.00 43.57 ? 92 THR A CG2 1 +ATOM 518 N N . VAL A 1 72 ? -7.069 -6.823 -16.959 1.00 39.62 ? 93 VAL A N 1 +ATOM 519 C CA . VAL A 1 72 ? -8.221 -6.904 -16.053 1.00 39.62 ? 93 VAL A CA 1 +ATOM 520 C C . VAL A 1 72 ? -8.222 -8.180 -15.203 1.00 38.74 ? 93 VAL A C 1 +ATOM 521 O O . VAL A 1 72 ? -8.283 -8.108 -13.987 1.00 39.69 ? 93 VAL A O 1 +ATOM 522 C CB . VAL A 1 72 ? -9.572 -6.842 -16.837 1.00 38.81 ? 93 VAL A CB 1 +ATOM 523 C CG1 . VAL A 1 72 ? -10.710 -7.330 -15.952 1.00 39.74 ? 93 VAL A CG1 1 +ATOM 524 C CG2 . VAL A 1 72 ? -9.866 -5.416 -17.289 1.00 39.77 ? 93 VAL A CG2 1 +ATOM 525 N N . LEU A 1 73 ? -8.131 -9.340 -15.850 1.00 39.33 ? 94 LEU A N 1 +ATOM 526 C CA . LEU A 1 73 ? -8.176 -10.630 -15.155 1.00 39.24 ? 94 LEU A CA 1 +ATOM 527 C C . LEU A 1 73 ? -6.900 -10.990 -14.421 1.00 41.87 ? 94 LEU A C 1 +ATOM 528 O O . LEU A 1 73 ? -6.927 -11.668 -13.379 1.00 39.42 ? 94 LEU A O 1 +ATOM 529 C CB . LEU A 1 73 ? -8.485 -11.763 -16.147 1.00 38.41 ? 94 LEU A CB 1 +ATOM 530 C CG . LEU A 1 73 ? -9.747 -11.629 -17.018 1.00 40.00 ? 94 LEU A CG 1 +ATOM 531 C CD1 . LEU A 1 73 ? -9.909 -12.845 -17.923 1.00 39.62 ? 94 LEU A CD1 1 +ATOM 532 C CD2 . LEU A 1 73 ? -10.964 -11.514 -16.094 1.00 40.82 ? 94 LEU A CD2 1 +ATOM 533 N N . VAL A 1 74 ? -5.775 -10.546 -14.962 1.00 43.42 ? 95 VAL A N 1 +ATOM 534 C CA . VAL A 1 74 ? -4.514 -10.896 -14.344 1.00 48.12 ? 95 VAL A CA 1 +ATOM 535 C C . VAL A 1 74 ? -3.779 -9.732 -13.696 1.00 48.66 ? 95 VAL A C 1 +ATOM 536 O O . VAL A 1 74 ? -3.773 -9.589 -12.477 1.00 50.59 ? 95 VAL A O 1 +ATOM 537 C CB . VAL A 1 74 ? -3.593 -11.594 -15.383 1.00 48.79 ? 95 VAL A CB 1 +ATOM 538 C CG1 . VAL A 1 74 ? -2.317 -12.070 -14.715 1.00 50.34 ? 95 VAL A CG1 1 +ATOM 539 C CG2 . VAL A 1 74 ? -4.321 -12.773 -16.005 1.00 47.76 ? 95 VAL A CG2 1 +ATOM 540 N N . LYS A 1 75 ? -3.199 -8.889 -14.531 1.00 51.85 ? 96 LYS A N 1 +ATOM 541 C CA . LYS A 1 75 ? -2.399 -7.762 -14.084 1.00 54.02 ? 96 LYS A CA 1 +ATOM 542 C C . LYS A 1 75 ? -2.977 -6.928 -12.959 1.00 54.82 ? 96 LYS A C 1 +ATOM 543 O O . LYS A 1 75 ? -2.323 -6.718 -11.934 1.00 55.81 ? 96 LYS A O 1 +ATOM 544 C CB . LYS A 1 75 ? -2.074 -6.880 -15.292 1.00 55.00 ? 96 LYS A CB 1 +ATOM 545 C CG . LYS A 1 75 ? -1.366 -7.667 -16.402 1.00 57.59 ? 96 LYS A CG 1 +ATOM 546 C CD . LYS A 1 75 ? -0.950 -6.795 -17.587 1.00 58.35 ? 96 LYS A CD 1 +ATOM 547 C CE . LYS A 1 75 ? -0.273 -7.632 -18.685 1.00 58.74 ? 96 LYS A CE 1 +ATOM 548 N NZ . LYS A 1 75 ? 0.139 -6.815 -19.870 1.00 58.16 ? 96 LYS A NZ 1 +ATOM 549 N N . GLU A 1 76 ? -4.209 -6.472 -13.134 1.00 54.71 ? 97 GLU A N 1 +ATOM 550 C CA . GLU A 1 76 ? -4.842 -5.621 -12.140 1.00 53.86 ? 97 GLU A CA 1 +ATOM 551 C C . GLU A 1 76 ? -5.982 -6.252 -11.373 1.00 53.58 ? 97 GLU A C 1 +ATOM 552 O O . GLU A 1 76 ? -7.003 -5.619 -11.134 1.00 54.60 ? 97 GLU A O 1 +ATOM 553 C CB . GLU A 1 76 ? -5.317 -4.356 -12.832 1.00 53.60 ? 97 GLU A CB 1 +ATOM 554 C CG . GLU A 1 76 ? -4.172 -3.528 -13.341 1.00 55.88 ? 97 GLU A CG 1 +ATOM 555 C CD . GLU A 1 76 ? -3.460 -2.796 -12.219 1.00 57.21 ? 97 GLU A CD 1 +ATOM 556 O OE1 . GLU A 1 76 ? -3.864 -1.652 -11.925 1.00 60.15 ? 97 GLU A OE1 1 +ATOM 557 O OE2 . GLU A 1 76 ? -2.518 -3.360 -11.616 1.00 58.35 ? 97 GLU A OE2 1 +ATOM 558 N N . CYS A 1 77 ? -5.799 -7.498 -10.974 1.00 53.49 ? 98 CYS A N 1 +ATOM 559 C CA . CYS A 1 77 ? -6.817 -8.216 -10.230 1.00 52.83 ? 98 CYS A CA 1 +ATOM 560 C C . CYS A 1 77 ? -6.964 -7.705 -8.801 1.00 52.89 ? 98 CYS A C 1 +ATOM 561 O O . CYS A 1 77 ? -8.034 -7.271 -8.383 1.00 51.29 ? 98 CYS A O 1 +ATOM 562 C CB . CYS A 1 77 ? -6.461 -9.697 -10.199 1.00 52.33 ? 98 CYS A CB 1 +ATOM 563 S SG . CYS A 1 77 ? -7.643 -10.721 -9.313 1.00 53.56 ? 98 CYS A SG 1 +ATOM 564 N N . TYR A 1 78 ? -5.869 -7.770 -8.057 1.00 53.95 ? 99 TYR A N 1 +ATOM 565 C CA . TYR A 1 78 ? -5.830 -7.360 -6.657 1.00 54.61 ? 99 TYR A CA 1 +ATOM 566 C C . TYR A 1 78 ? -6.061 -5.875 -6.415 1.00 53.38 ? 99 TYR A C 1 +ATOM 567 O O . TYR A 1 78 ? -6.645 -5.475 -5.412 1.00 53.03 ? 99 TYR A O 1 +ATOM 568 C CB . TYR A 1 78 ? -4.481 -7.752 -6.058 1.00 56.40 ? 99 TYR A CB 1 +ATOM 569 C CG . TYR A 1 78 ? -4.248 -9.240 -5.997 1.00 58.34 ? 99 TYR A CG 1 +ATOM 570 C CD1 . TYR A 1 78 ? -3.133 -9.821 -6.610 1.00 59.43 ? 99 TYR A CD1 1 +ATOM 571 C CD2 . TYR A 1 78 ? -5.135 -10.069 -5.318 1.00 58.81 ? 99 TYR A CD2 1 +ATOM 572 C CE1 . TYR A 1 78 ? -2.912 -11.195 -6.545 1.00 59.35 ? 99 TYR A CE1 1 +ATOM 573 C CE2 . TYR A 1 78 ? -4.924 -11.439 -5.244 1.00 60.52 ? 99 TYR A CE2 1 +ATOM 574 C CZ . TYR A 1 78 ? -3.813 -12.000 -5.858 1.00 60.73 ? 99 TYR A CZ 1 +ATOM 575 O OH . TYR A 1 78 ? -3.616 -13.366 -5.773 1.00 61.19 ? 99 TYR A OH 1 +ATOM 576 N N . SER A 1 79 ? -5.598 -5.065 -7.351 1.00 52.51 ? 100 SER A N 1 +ATOM 577 C CA . SER A 1 79 ? -5.715 -3.627 -7.236 1.00 51.77 ? 100 SER A CA 1 +ATOM 578 C C . SER A 1 79 ? -7.026 -3.001 -7.679 1.00 51.00 ? 100 SER A C 1 +ATOM 579 O O . SER A 1 79 ? -7.633 -2.237 -6.937 1.00 52.05 ? 100 SER A O 1 +ATOM 580 C CB . SER A 1 79 ? -4.577 -2.973 -8.026 1.00 52.27 ? 100 SER A CB 1 +ATOM 581 O OG . SER A 1 79 ? -4.456 -3.572 -9.312 1.00 51.12 ? 100 SER A OG 1 +ATOM 582 N N . VAL A 1 80 ? -7.467 -3.333 -8.887 1.00 49.64 ? 101 VAL A N 1 +ATOM 583 C CA . VAL A 1 80 ? -8.658 -2.710 -9.451 1.00 47.74 ? 101 VAL A CA 1 +ATOM 584 C C . VAL A 1 80 ? -9.877 -3.577 -9.772 1.00 46.77 ? 101 VAL A C 1 +ATOM 585 O O . VAL A 1 80 ? -11.010 -3.206 -9.456 1.00 46.00 ? 101 VAL A O 1 +ATOM 586 C CB . VAL A 1 80 ? -8.266 -1.968 -10.728 1.00 46.87 ? 101 VAL A CB 1 +ATOM 587 C CG1 . VAL A 1 80 ? -9.472 -1.267 -11.348 1.00 45.56 ? 101 VAL A CG1 1 +ATOM 588 C CG2 . VAL A 1 80 ? -7.146 -0.986 -10.408 1.00 47.61 ? 101 VAL A CG2 1 +ATOM 589 N N . PHE A 1 81 ? -9.644 -4.711 -10.412 1.00 43.32 ? 102 PHE A N 1 +ATOM 590 C CA . PHE A 1 81 ? -10.730 -5.581 -10.796 1.00 43.25 ? 102 PHE A CA 1 +ATOM 591 C C . PHE A 1 81 ? -10.804 -6.816 -9.933 1.00 41.13 ? 102 PHE A C 1 +ATOM 592 O O . PHE A 1 81 ? -10.722 -7.948 -10.412 1.00 42.25 ? 102 PHE A O 1 +ATOM 593 C CB . PHE A 1 81 ? -10.568 -5.947 -12.261 1.00 41.88 ? 102 PHE A CB 1 +ATOM 594 C CG . PHE A 1 81 ? -10.455 -4.760 -13.152 1.00 43.05 ? 102 PHE A CG 1 +ATOM 595 C CD1 . PHE A 1 81 ? -9.202 -4.273 -13.537 1.00 45.10 ? 102 PHE A CD1 1 +ATOM 596 C CD2 . PHE A 1 81 ? -11.595 -4.101 -13.583 1.00 43.46 ? 102 PHE A CD2 1 +ATOM 597 C CE1 . PHE A 1 81 ? -9.092 -3.132 -14.347 1.00 46.96 ? 102 PHE A CE1 1 +ATOM 598 C CE2 . PHE A 1 81 ? -11.515 -2.973 -14.385 1.00 44.18 ? 102 PHE A CE2 1 +ATOM 599 C CZ . PHE A 1 81 ? -10.260 -2.476 -14.776 1.00 46.77 ? 102 PHE A CZ 1 +ATOM 600 N N . THR A 1 82 ? -10.995 -6.591 -8.648 1.00 39.01 ? 103 THR A N 1 +ATOM 601 C CA . THR A 1 82 ? -11.022 -7.689 -7.702 1.00 38.31 ? 103 THR A CA 1 +ATOM 602 C C . THR A 1 82 ? -12.340 -8.425 -7.527 1.00 35.76 ? 103 THR A C 1 +ATOM 603 O O . THR A 1 82 ? -12.352 -9.615 -7.261 1.00 34.26 ? 103 THR A O 1 +ATOM 604 C CB . THR A 1 82 ? -10.589 -7.218 -6.300 1.00 37.20 ? 103 THR A CB 1 +ATOM 605 O OG1 . THR A 1 82 ? -9.470 -6.339 -6.421 1.00 39.92 ? 103 THR A OG1 1 +ATOM 606 C CG2 . THR A 1 82 ? -10.205 -8.407 -5.449 1.00 39.04 ? 103 THR A CG2 1 +ATOM 607 N N . ASN A 1 83 ? -13.453 -7.738 -7.682 1.00 34.86 ? 104 ASN A N 1 +ATOM 608 C CA . ASN A 1 83 ? -14.701 -8.435 -7.413 1.00 36.15 ? 104 ASN A CA 1 +ATOM 609 C C . ASN A 1 83 ? -15.692 -8.580 -8.556 1.00 34.61 ? 104 ASN A C 1 +ATOM 610 O O . ASN A 1 83 ? -15.609 -7.873 -9.554 1.00 33.83 ? 104 ASN A O 1 +ATOM 611 C CB . ASN A 1 83 ? -15.361 -7.766 -6.205 1.00 37.96 ? 104 ASN A CB 1 +ATOM 612 C CG . ASN A 1 83 ? -14.353 -7.458 -5.096 1.00 41.62 ? 104 ASN A CG 1 +ATOM 613 O OD1 . ASN A 1 83 ? -13.557 -8.318 -4.702 1.00 41.78 ? 104 ASN A OD1 1 +ATOM 614 N ND2 . ASN A 1 83 ? -14.389 -6.231 -4.588 1.00 45.04 ? 104 ASN A ND2 1 +ATOM 615 N N . ARG A 1 84 ? -16.594 -9.544 -8.392 1.00 35.26 ? 105 ARG A N 1 +ATOM 616 C CA . ARG A 1 84 ? -17.661 -9.830 -9.344 1.00 36.04 ? 105 ARG A CA 1 +ATOM 617 C C . ARG A 1 84 ? -18.729 -8.831 -8.918 1.00 35.35 ? 105 ARG A C 1 +ATOM 618 O O . ARG A 1 84 ? -18.602 -8.236 -7.853 1.00 35.33 ? 105 ARG A O 1 +ATOM 619 C CB . ARG A 1 84 ? -18.182 -11.260 -9.159 1.00 36.06 ? 105 ARG A CB 1 +ATOM 620 C CG . ARG A 1 84 ? -17.124 -12.343 -9.323 1.00 41.25 ? 105 ARG A CG 1 +ATOM 621 C CD . ARG A 1 84 ? -17.637 -13.594 -10.062 1.00 43.45 ? 105 ARG A CD 1 +ATOM 622 N NE . ARG A 1 84 ? -16.529 -14.472 -10.437 1.00 45.01 ? 105 ARG A NE 1 +ATOM 623 C CZ . ARG A 1 84 ? -15.783 -15.118 -9.548 1.00 47.37 ? 105 ARG A CZ 1 +ATOM 624 N NH1 . ARG A 1 84 ? -16.049 -14.978 -8.260 1.00 46.01 ? 105 ARG A NH1 1 +ATOM 625 N NH2 . ARG A 1 84 ? -14.771 -15.888 -9.932 1.00 47.59 ? 105 ARG A NH2 1 +ATOM 626 N N . ARG A 1 85 ? -19.777 -8.643 -9.712 1.00 36.02 ? 106 ARG A N 1 +ATOM 627 C CA . ARG A 1 85 ? -20.788 -7.675 -9.316 1.00 36.89 ? 106 ARG A CA 1 +ATOM 628 C C . ARG A 1 85 ? -21.751 -8.255 -8.261 1.00 38.44 ? 106 ARG A C 1 +ATOM 629 O O . ARG A 1 85 ? -22.025 -9.455 -8.241 1.00 37.25 ? 106 ARG A O 1 +ATOM 630 C CB . ARG A 1 85 ? -21.557 -7.185 -10.552 1.00 37.60 ? 106 ARG A CB 1 +ATOM 631 C CG . ARG A 1 85 ? -22.703 -8.075 -11.025 1.00 39.01 ? 106 ARG A CG 1 +ATOM 632 C CD . ARG A 1 85 ? -23.602 -7.305 -12.036 1.00 40.50 ? 106 ARG A CD 1 +ATOM 633 N NE . ARG A 1 85 ? -23.290 -7.615 -13.444 1.00 36.43 ? 106 ARG A NE 1 +ATOM 634 C CZ . ARG A 1 85 ? -23.970 -7.131 -14.482 1.00 35.91 ? 106 ARG A CZ 1 +ATOM 635 N NH1 . ARG A 1 85 ? -24.999 -6.311 -14.274 1.00 30.40 ? 106 ARG A NH1 1 +ATOM 636 N NH2 . ARG A 1 85 ? -23.625 -7.466 -15.723 1.00 34.26 ? 106 ARG A NH2 1 +ATOM 637 N N . PRO A 1 86 ? -22.252 -7.410 -7.349 1.00 40.80 ? 107 PRO A N 1 +ATOM 638 C CA . PRO A 1 86 ? -23.193 -7.870 -6.308 1.00 41.34 ? 107 PRO A CA 1 +ATOM 639 C C . PRO A 1 86 ? -24.402 -8.359 -7.091 1.00 40.80 ? 107 PRO A C 1 +ATOM 640 O O . PRO A 1 86 ? -24.645 -7.849 -8.183 1.00 40.64 ? 107 PRO A O 1 +ATOM 641 C CB . PRO A 1 86 ? -23.542 -6.590 -5.557 1.00 41.82 ? 107 PRO A CB 1 +ATOM 642 C CG . PRO A 1 86 ? -22.369 -5.631 -5.903 1.00 43.98 ? 107 PRO A CG 1 +ATOM 643 C CD . PRO A 1 86 ? -22.120 -5.944 -7.346 1.00 40.25 ? 107 PRO A CD 1 +ATOM 644 N N . PHE A 1 87 ? -25.178 -9.313 -6.584 1.00 41.68 ? 108 PHE A N 1 +ATOM 645 C CA . PHE A 1 87 ? -26.318 -9.750 -7.401 1.00 41.54 ? 108 PHE A CA 1 +ATOM 646 C C . PHE A 1 87 ? -27.714 -9.827 -6.764 1.00 42.88 ? 108 PHE A C 1 +ATOM 647 O O . PHE A 1 87 ? -28.733 -9.917 -7.474 1.00 43.80 ? 108 PHE A O 1 +ATOM 648 C CB . PHE A 1 87 ? -25.980 -11.081 -8.099 1.00 39.69 ? 108 PHE A CB 1 +ATOM 649 C CG . PHE A 1 87 ? -25.642 -12.204 -7.164 1.00 37.64 ? 108 PHE A CG 1 +ATOM 650 C CD1 . PHE A 1 87 ? -26.619 -13.110 -6.766 1.00 36.31 ? 108 PHE A CD1 1 +ATOM 651 C CD2 . PHE A 1 87 ? -24.336 -12.395 -6.728 1.00 39.02 ? 108 PHE A CD2 1 +ATOM 652 C CE1 . PHE A 1 87 ? -26.307 -14.203 -5.949 1.00 36.25 ? 108 PHE A CE1 1 +ATOM 653 C CE2 . PHE A 1 87 ? -24.011 -13.484 -5.907 1.00 39.08 ? 108 PHE A CE2 1 +ATOM 654 C CZ . PHE A 1 87 ? -25.001 -14.390 -5.520 1.00 37.72 ? 108 PHE A CZ 1 +ATOM 655 N N . GLY A 1 88 ? -27.783 -9.770 -5.445 1.00 41.19 ? 109 GLY A N 1 +ATOM 656 C CA . GLY A 1 88 ? -29.091 -9.861 -4.820 1.00 40.45 ? 109 GLY A CA 1 +ATOM 657 C C . GLY A 1 88 ? -28.872 -10.152 -3.366 1.00 40.68 ? 109 GLY A C 1 +ATOM 658 O O . GLY A 1 88 ? -27.713 -10.214 -2.919 1.00 41.10 ? 109 GLY A O 1 +ATOM 659 N N . PRO A 1 89 ? -29.951 -10.370 -2.600 1.00 39.00 ? 110 PRO A N 1 +ATOM 660 C CA . PRO A 1 89 ? -29.786 -10.647 -1.170 1.00 38.95 ? 110 PRO A CA 1 +ATOM 661 C C . PRO A 1 89 ? -29.146 -12.022 -0.954 1.00 38.05 ? 110 PRO A C 1 +ATOM 662 O O . PRO A 1 89 ? -29.672 -13.034 -1.402 1.00 36.39 ? 110 PRO A O 1 +ATOM 663 C CB . PRO A 1 89 ? -31.216 -10.517 -0.635 1.00 36.16 ? 110 PRO A CB 1 +ATOM 664 C CG . PRO A 1 89 ? -32.062 -11.076 -1.797 1.00 37.57 ? 110 PRO A CG 1 +ATOM 665 C CD . PRO A 1 89 ? -31.348 -10.555 -3.049 1.00 38.51 ? 110 PRO A CD 1 +ATOM 666 N N . VAL A 1 90 ? -28.034 -12.029 -0.231 1.00 39.53 ? 111 VAL A N 1 +ATOM 667 C CA . VAL A 1 90 ? -27.231 -13.225 0.013 1.00 43.89 ? 111 VAL A CA 1 +ATOM 668 C C . VAL A 1 90 ? -27.040 -13.727 1.465 1.00 45.15 ? 111 VAL A C 1 +ATOM 669 O O . VAL A 1 90 ? -26.561 -14.847 1.676 1.00 43.65 ? 111 VAL A O 1 +ATOM 670 C CB . VAL A 1 90 ? -25.828 -12.999 -0.626 1.00 46.03 ? 111 VAL A CB 1 +ATOM 671 C CG1 . VAL A 1 90 ? -25.241 -11.700 -0.093 1.00 48.43 ? 111 VAL A CG1 1 +ATOM 672 C CG2 . VAL A 1 90 ? -24.884 -14.160 -0.320 1.00 47.75 ? 111 VAL A CG2 1 +ATOM 673 N N . GLY A 1 91 ? -27.387 -12.919 2.464 1.00 44.95 ? 112 GLY A N 1 +ATOM 674 C CA . GLY A 1 91 ? -27.208 -13.373 3.834 1.00 45.23 ? 112 GLY A CA 1 +ATOM 675 C C . GLY A 1 91 ? -25.802 -13.853 4.183 1.00 44.71 ? 112 GLY A C 1 +ATOM 676 O O . GLY A 1 91 ? -24.814 -13.298 3.719 1.00 44.96 ? 112 GLY A O 1 +ATOM 677 N N . PHE A 1 92 ? -25.700 -14.909 4.982 1.00 45.72 ? 113 PHE A N 1 +ATOM 678 C CA . PHE A 1 92 ? -24.385 -15.398 5.394 1.00 46.97 ? 113 PHE A CA 1 +ATOM 679 C C . PHE A 1 92 ? -23.531 -15.929 4.245 1.00 46.43 ? 113 PHE A C 1 +ATOM 680 O O . PHE A 1 92 ? -22.302 -16.046 4.374 1.00 46.32 ? 113 PHE A O 1 +ATOM 681 C CB . PHE A 1 92 ? -24.538 -16.470 6.481 1.00 48.23 ? 113 PHE A CB 1 +ATOM 682 C CG . PHE A 1 92 ? -24.734 -17.852 5.952 1.00 49.62 ? 113 PHE A CG 1 +ATOM 683 C CD1 . PHE A 1 92 ? -23.633 -18.687 5.722 1.00 49.81 ? 113 PHE A CD1 1 +ATOM 684 C CD2 . PHE A 1 92 ? -26.014 -18.323 5.666 1.00 49.83 ? 113 PHE A CD2 1 +ATOM 685 C CE1 . PHE A 1 92 ? -23.805 -19.978 5.213 1.00 49.59 ? 113 PHE A CE1 1 +ATOM 686 C CE2 . PHE A 1 92 ? -26.203 -19.612 5.155 1.00 50.68 ? 113 PHE A CE2 1 +ATOM 687 C CZ . PHE A 1 92 ? -25.092 -20.442 4.928 1.00 51.93 ? 113 PHE A CZ 1 +ATOM 688 N N . MET A 1 93 ? -24.171 -16.253 3.127 1.00 44.90 ? 114 MET A N 1 +ATOM 689 C CA . MET A 1 93 ? -23.434 -16.740 1.965 1.00 43.54 ? 114 MET A CA 1 +ATOM 690 C C . MET A 1 93 ? -22.543 -15.609 1.452 1.00 43.17 ? 114 MET A C 1 +ATOM 691 O O . MET A 1 93 ? -21.695 -15.808 0.580 1.00 42.38 ? 114 MET A O 1 +ATOM 692 C CB . MET A 1 93 ? -24.399 -17.231 0.882 1.00 42.64 ? 114 MET A CB 1 +ATOM 693 C CG . MET A 1 93 ? -24.896 -18.663 1.127 1.00 42.98 ? 114 MET A CG 1 +ATOM 694 S SD . MET A 1 93 ? -23.493 -19.869 1.279 1.00 42.43 ? 114 MET A SD 1 +ATOM 695 C CE . MET A 1 93 ? -22.847 -19.811 -0.435 1.00 43.43 ? 114 MET A CE 1 +ATOM 696 N N . LYS A 1 94 ? -22.731 -14.422 2.013 1.00 42.10 ? 115 LYS A N 1 +ATOM 697 C CA . LYS A 1 94 ? -21.917 -13.278 1.642 1.00 44.78 ? 115 LYS A CA 1 +ATOM 698 C C . LYS A 1 94 ? -20.450 -13.678 1.805 1.00 44.36 ? 115 LYS A C 1 +ATOM 699 O O . LYS A 1 94 ? -19.559 -13.091 1.178 1.00 43.24 ? 115 LYS A O 1 +ATOM 700 C CB . LYS A 1 94 ? -22.204 -12.091 2.563 1.00 48.26 ? 115 LYS A CB 1 +ATOM 701 C CG . LYS A 1 94 ? -21.904 -12.397 4.036 1.00 52.69 ? 115 LYS A CG 1 +ATOM 702 C CD . LYS A 1 94 ? -22.142 -11.194 4.947 1.00 56.59 ? 115 LYS A CD 1 +ATOM 703 C CE . LYS A 1 94 ? -22.244 -11.624 6.419 1.00 57.73 ? 115 LYS A CE 1 +ATOM 704 N NZ . LYS A 1 94 ? -22.444 -10.446 7.322 1.00 60.28 ? 115 LYS A NZ 1 +ATOM 705 N N . SER A 1 95 ? -20.217 -14.682 2.649 1.00 44.67 ? 116 SER A N 1 +ATOM 706 C CA . SER A 1 95 ? -18.873 -15.190 2.928 1.00 44.91 ? 116 SER A CA 1 +ATOM 707 C C . SER A 1 95 ? -18.379 -16.320 2.000 1.00 43.84 ? 116 SER A C 1 +ATOM 708 O O . SER A 1 95 ? -17.238 -16.769 2.144 1.00 43.83 ? 116 SER A O 1 +ATOM 709 C CB . SER A 1 95 ? -18.771 -15.646 4.390 1.00 45.67 ? 116 SER A CB 1 +ATOM 710 O OG . SER A 1 95 ? -19.708 -16.674 4.687 1.00 48.14 ? 116 SER A OG 1 +ATOM 711 N N . ALA A 1 96 ? -19.214 -16.776 1.063 1.00 40.46 ? 117 ALA A N 1 +ATOM 712 C CA . ALA A 1 96 ? -18.772 -17.815 0.116 1.00 40.60 ? 117 ALA A CA 1 +ATOM 713 C C . ALA A 1 96 ? -17.637 -17.186 -0.687 1.00 39.38 ? 117 ALA A C 1 +ATOM 714 O O . ALA A 1 96 ? -17.729 -16.032 -1.093 1.00 36.84 ? 117 ALA A O 1 +ATOM 715 C CB . ALA A 1 96 ? -19.901 -18.227 -0.825 1.00 37.29 ? 117 ALA A CB 1 +ATOM 716 N N . ILE A 1 97 ? -16.570 -17.942 -0.926 1.00 39.88 ? 118 ILE A N 1 +ATOM 717 C CA . ILE A 1 97 ? -15.433 -17.384 -1.634 1.00 39.99 ? 118 ILE A CA 1 +ATOM 718 C C . ILE A 1 97 ? -15.761 -16.661 -2.960 1.00 38.75 ? 118 ILE A C 1 +ATOM 719 O O . ILE A 1 97 ? -15.120 -15.668 -3.284 1.00 39.16 ? 118 ILE A O 1 +ATOM 720 C CB . ILE A 1 97 ? -14.333 -18.471 -1.828 1.00 41.02 ? 118 ILE A CB 1 +ATOM 721 C CG1 . ILE A 1 97 ? -13.142 -17.871 -2.582 1.00 43.14 ? 118 ILE A CG1 1 +ATOM 722 C CG2 . ILE A 1 97 ? -14.910 -19.706 -2.521 1.00 40.90 ? 118 ILE A CG2 1 +ATOM 723 C CD1 . ILE A 1 97 ? -12.010 -18.856 -2.835 1.00 44.92 ? 118 ILE A CD1 1 +ATOM 724 N N . SER A 1 98 ? -16.785 -17.116 -3.688 1.00 38.48 ? 119 SER A N 1 +ATOM 725 C CA . SER A 1 98 ? -17.153 -16.501 -4.964 1.00 37.87 ? 119 SER A CA 1 +ATOM 726 C C . SER A 1 98 ? -17.942 -15.186 -4.845 1.00 37.98 ? 119 SER A C 1 +ATOM 727 O O . SER A 1 98 ? -18.015 -14.395 -5.795 1.00 37.04 ? 119 SER A O 1 +ATOM 728 C CB . SER A 1 98 ? -17.949 -17.501 -5.826 1.00 37.33 ? 119 SER A CB 1 +ATOM 729 O OG . SER A 1 98 ? -19.192 -17.825 -5.232 1.00 37.97 ? 119 SER A OG 1 +ATOM 730 N N . ILE A 1 99 ? -18.507 -14.946 -3.672 1.00 36.00 ? 120 ILE A N 1 +ATOM 731 C CA . ILE A 1 99 ? -19.300 -13.748 -3.416 1.00 36.78 ? 120 ILE A CA 1 +ATOM 732 C C . ILE A 1 99 ? -18.474 -12.769 -2.584 1.00 37.16 ? 120 ILE A C 1 +ATOM 733 O O . ILE A 1 99 ? -18.709 -11.567 -2.616 1.00 35.89 ? 120 ILE A O 1 +ATOM 734 C CB . ILE A 1 99 ? -20.625 -14.146 -2.676 1.00 36.20 ? 120 ILE A CB 1 +ATOM 735 C CG1 . ILE A 1 99 ? -21.446 -15.088 -3.579 1.00 36.22 ? 120 ILE A CG1 1 +ATOM 736 C CG2 . ILE A 1 99 ? -21.432 -12.918 -2.335 1.00 36.40 ? 120 ILE A CG2 1 +ATOM 737 C CD1 . ILE A 1 99 ? -22.585 -15.848 -2.881 1.00 35.26 ? 120 ILE A CD1 1 +ATOM 738 N N . ALA A 1 100 ? -17.485 -13.298 -1.867 1.00 39.23 ? 121 ALA A N 1 +ATOM 739 C CA . ALA A 1 100 ? -16.608 -12.487 -1.025 1.00 42.26 ? 121 ALA A CA 1 +ATOM 740 C C . ALA A 1 100 ? -15.873 -11.441 -1.871 1.00 44.23 ? 121 ALA A C 1 +ATOM 741 O O . ALA A 1 100 ? -15.674 -11.634 -3.074 1.00 44.42 ? 121 ALA A O 1 +ATOM 742 C CB . ALA A 1 100 ? -15.610 -13.387 -0.303 1.00 42.46 ? 121 ALA A CB 1 +ATOM 743 N N . GLU A 1 101 ? -15.483 -10.333 -1.243 1.00 44.71 ? 122 GLU A N 1 +ATOM 744 C CA . GLU A 1 101 ? -14.802 -9.256 -1.938 1.00 46.36 ? 122 GLU A CA 1 +ATOM 745 C C . GLU A 1 101 ? -13.474 -8.845 -1.307 1.00 47.79 ? 122 GLU A C 1 +ATOM 746 O O . GLU A 1 101 ? -13.187 -9.175 -0.154 1.00 48.35 ? 122 GLU A O 1 +ATOM 747 C CB . GLU A 1 101 ? -15.733 -8.039 -2.013 1.00 49.16 ? 122 GLU A CB 1 +ATOM 748 C CG . GLU A 1 101 ? -17.023 -8.302 -2.790 1.00 47.97 ? 122 GLU A CG 1 +ATOM 749 C CD . GLU A 1 101 ? -17.895 -7.076 -2.921 1.00 51.39 ? 122 GLU A CD 1 +ATOM 750 O OE1 . GLU A 1 101 ? -19.020 -7.223 -3.449 1.00 53.66 ? 122 GLU A OE1 1 +ATOM 751 O OE2 . GLU A 1 101 ? -17.470 -5.969 -2.509 1.00 49.98 ? 122 GLU A OE2 1 +ATOM 752 N N . ASP A 1 102 ? -12.669 -8.137 -2.093 1.00 49.33 ? 123 ASP A N 1 +ATOM 753 C CA . ASP A 1 102 ? -11.357 -7.623 -1.682 1.00 52.12 ? 123 ASP A CA 1 +ATOM 754 C C . ASP A 1 102 ? -10.578 -8.509 -0.716 1.00 52.67 ? 123 ASP A C 1 +ATOM 755 O O . ASP A 1 102 ? -10.525 -9.719 -0.897 1.00 52.30 ? 123 ASP A O 1 +ATOM 756 C CB . ASP A 1 102 ? -11.541 -6.231 -1.089 1.00 52.59 ? 123 ASP A CB 1 +ATOM 757 C CG . ASP A 1 102 ? -12.392 -5.347 -1.976 1.00 55.77 ? 123 ASP A CG 1 +ATOM 758 O OD1 . ASP A 1 102 ? -11.991 -5.124 -3.136 1.00 58.71 ? 123 ASP A OD1 1 +ATOM 759 O OD2 . ASP A 1 102 ? -13.468 -4.882 -1.532 1.00 57.85 ? 123 ASP A OD2 1 +ATOM 760 N N . GLU A 1 103 ? -9.973 -7.895 0.302 1.00 54.64 ? 124 GLU A N 1 +ATOM 761 C CA . GLU A 1 103 ? -9.180 -8.610 1.312 1.00 56.06 ? 124 GLU A CA 1 +ATOM 762 C C . GLU A 1 103 ? -9.889 -9.834 1.854 1.00 56.88 ? 124 GLU A C 1 +ATOM 763 O O . GLU A 1 103 ? -9.266 -10.863 2.136 1.00 57.69 ? 124 GLU A O 1 +ATOM 764 C CB . GLU A 1 103 ? -8.868 -7.699 2.506 1.00 57.47 ? 124 GLU A CB 1 +ATOM 765 C CG . GLU A 1 103 ? -8.188 -6.399 2.171 1.00 60.03 ? 124 GLU A CG 1 +ATOM 766 C CD . GLU A 1 103 ? -6.860 -6.620 1.498 1.00 60.85 ? 124 GLU A CD 1 +ATOM 767 O OE1 . GLU A 1 103 ? -6.155 -7.577 1.888 1.00 61.27 ? 124 GLU A OE1 1 +ATOM 768 O OE2 . GLU A 1 103 ? -6.518 -5.833 0.587 1.00 62.20 ? 124 GLU A OE2 1 +ATOM 769 N N . GLU A 1 104 ? -11.194 -9.704 2.050 1.00 57.25 ? 125 GLU A N 1 +ATOM 770 C CA . GLU A 1 104 ? -11.971 -10.807 2.575 1.00 58.54 ? 125 GLU A CA 1 +ATOM 771 C C . GLU A 1 104 ? -11.804 -11.981 1.626 1.00 57.87 ? 125 GLU A C 1 +ATOM 772 O O . GLU A 1 104 ? -11.519 -13.098 2.053 1.00 58.61 ? 125 GLU A O 1 +ATOM 773 C CB . GLU A 1 104 ? -13.448 -10.400 2.711 1.00 61.48 ? 125 GLU A CB 1 +ATOM 774 C CG . GLU A 1 104 ? -14.421 -11.556 2.991 1.00 65.39 ? 125 GLU A CG 1 +ATOM 775 C CD . GLU A 1 104 ? -14.100 -12.335 4.269 1.00 67.14 ? 125 GLU A CD 1 +ATOM 776 O OE1 . GLU A 1 104 ? -12.929 -12.745 4.433 1.00 68.42 ? 125 GLU A OE1 1 +ATOM 777 O OE2 . GLU A 1 104 ? -15.021 -12.550 5.097 1.00 67.90 ? 125 GLU A OE2 1 +ATOM 778 N N . TRP A 1 105 ? -11.962 -11.724 0.331 1.00 56.96 ? 126 TRP A N 1 +ATOM 779 C CA . TRP A 1 105 ? -11.807 -12.778 -0.667 1.00 54.75 ? 126 TRP A CA 1 +ATOM 780 C C . TRP A 1 105 ? -10.383 -13.340 -0.703 1.00 55.02 ? 126 TRP A C 1 +ATOM 781 O O . TRP A 1 105 ? -10.185 -14.552 -0.813 1.00 52.59 ? 126 TRP A O 1 +ATOM 782 C CB . TRP A 1 105 ? -12.137 -12.260 -2.068 1.00 52.36 ? 126 TRP A CB 1 +ATOM 783 C CG . TRP A 1 105 ? -11.641 -13.206 -3.139 1.00 48.70 ? 126 TRP A CG 1 +ATOM 784 C CD1 . TRP A 1 105 ? -12.177 -14.416 -3.477 1.00 46.99 ? 126 TRP A CD1 1 +ATOM 785 C CD2 . TRP A 1 105 ? -10.451 -13.061 -3.927 1.00 47.43 ? 126 TRP A CD2 1 +ATOM 786 N NE1 . TRP A 1 105 ? -11.396 -15.037 -4.418 1.00 47.17 ? 126 TRP A NE1 1 +ATOM 787 C CE2 . TRP A 1 105 ? -10.328 -14.230 -4.718 1.00 45.96 ? 126 TRP A CE2 1 +ATOM 788 C CE3 . TRP A 1 105 ? -9.473 -12.059 -4.042 1.00 44.74 ? 126 TRP A CE3 1 +ATOM 789 C CZ2 . TRP A 1 105 ? -9.260 -14.428 -5.618 1.00 44.40 ? 126 TRP A CZ2 1 +ATOM 790 C CZ3 . TRP A 1 105 ? -8.414 -12.254 -4.937 1.00 44.41 ? 126 TRP A CZ3 1 +ATOM 791 C CH2 . TRP A 1 105 ? -8.318 -13.433 -5.712 1.00 42.28 ? 126 TRP A CH2 1 +ATOM 792 N N . LYS A 1 106 ? -9.400 -12.446 -0.636 1.00 55.72 ? 127 LYS A N 1 +ATOM 793 C CA . LYS A 1 106 ? -8.000 -12.839 -0.699 1.00 56.94 ? 127 LYS A CA 1 +ATOM 794 C C . LYS A 1 106 ? -7.671 -13.858 0.372 1.00 57.21 ? 127 LYS A C 1 +ATOM 795 O O . LYS A 1 106 ? -6.995 -14.852 0.106 1.00 56.80 ? 127 LYS A O 1 +ATOM 796 C CB . LYS A 1 106 ? -7.109 -11.607 -0.563 1.00 59.09 ? 127 LYS A CB 1 +ATOM 797 C CG . LYS A 1 106 ? -5.857 -11.646 -1.423 1.00 60.91 ? 127 LYS A CG 1 +ATOM 798 C CD . LYS A 1 106 ? -5.094 -10.334 -1.353 1.00 62.27 ? 127 LYS A CD 1 +ATOM 799 C CE . LYS A 1 106 ? -5.979 -9.152 -1.736 1.00 64.38 ? 127 LYS A CE 1 +ATOM 800 N NZ . LYS A 1 106 ? -5.217 -7.869 -1.838 1.00 64.79 ? 127 LYS A NZ 1 +ATOM 801 N N . ARG A 1 107 ? -8.165 -13.617 1.579 1.00 57.73 ? 128 ARG A N 1 +ATOM 802 C CA . ARG A 1 107 ? -7.920 -14.527 2.688 1.00 59.08 ? 128 ARG A CA 1 +ATOM 803 C C . ARG A 1 107 ? -8.573 -15.879 2.462 1.00 59.36 ? 128 ARG A C 1 +ATOM 804 O O . ARG A 1 107 ? -7.963 -16.925 2.713 1.00 59.37 ? 128 ARG A O 1 +ATOM 805 C CB . ARG A 1 107 ? -8.428 -13.926 3.998 1.00 59.81 ? 128 ARG A CB 1 +ATOM 806 C CG . ARG A 1 107 ? -8.770 -14.951 5.059 1.00 61.06 ? 128 ARG A CG 1 +ATOM 807 C CD . ARG A 1 107 ? -8.986 -14.280 6.402 1.00 62.34 ? 128 ARG A CD 1 +ATOM 808 N NE . ARG A 1 107 ? -9.720 -15.142 7.323 1.00 64.22 ? 128 ARG A NE 1 +ATOM 809 C CZ . ARG A 1 107 ? -11.036 -15.323 7.288 1.00 65.18 ? 128 ARG A CZ 1 +ATOM 810 N NH1 . ARG A 1 107 ? -11.771 -14.694 6.381 1.00 66.63 ? 128 ARG A NH1 1 +ATOM 811 N NH2 . ARG A 1 107 ? -11.618 -16.150 8.145 1.00 65.66 ? 128 ARG A NH2 1 +ATOM 812 N N . LEU A 1 108 ? -9.819 -15.860 2.001 1.00 58.67 ? 129 LEU A N 1 +ATOM 813 C CA . LEU A 1 108 ? -10.532 -17.100 1.745 1.00 57.70 ? 129 LEU A CA 1 +ATOM 814 C C . LEU A 1 108 ? -9.852 -17.872 0.629 1.00 57.54 ? 129 LEU A C 1 +ATOM 815 O O . LEU A 1 108 ? -9.890 -19.101 0.618 1.00 57.76 ? 129 LEU A O 1 +ATOM 816 C CB . LEU A 1 108 ? -11.983 -16.817 1.353 1.00 56.70 ? 129 LEU A CB 1 +ATOM 817 C CG . LEU A 1 108 ? -12.937 -16.297 2.425 1.00 56.82 ? 129 LEU A CG 1 +ATOM 818 C CD1 . LEU A 1 108 ? -14.255 -15.898 1.779 1.00 55.44 ? 129 LEU A CD1 1 +ATOM 819 C CD2 . LEU A 1 108 ? -13.156 -17.373 3.479 1.00 55.03 ? 129 LEU A CD2 1 +ATOM 820 N N . ARG A 1 109 ? -9.233 -17.147 -0.302 1.00 57.83 ? 130 ARG A N 1 +ATOM 821 C CA . ARG A 1 109 ? -8.551 -17.764 -1.436 1.00 59.41 ? 130 ARG A CA 1 +ATOM 822 C C . ARG A 1 109 ? -7.251 -18.420 -1.000 1.00 60.91 ? 130 ARG A C 1 +ATOM 823 O O . ARG A 1 109 ? -6.600 -19.108 -1.790 1.00 62.00 ? 130 ARG A O 1 +ATOM 824 C CB . ARG A 1 109 ? -8.238 -16.736 -2.528 1.00 56.89 ? 130 ARG A CB 1 +ATOM 825 C CG . ARG A 1 109 ? -7.656 -17.356 -3.811 1.00 55.99 ? 130 ARG A CG 1 +ATOM 826 C CD . ARG A 1 109 ? -8.751 -17.846 -4.795 1.00 54.16 ? 130 ARG A CD 1 +ATOM 827 N NE . ARG A 1 109 ? -8.202 -18.496 -5.986 1.00 51.82 ? 130 ARG A NE 1 +ATOM 828 C CZ . ARG A 1 109 ? -8.865 -18.691 -7.130 1.00 53.41 ? 130 ARG A CZ 1 +ATOM 829 N NH1 . ARG A 1 109 ? -10.120 -18.283 -7.279 1.00 51.48 ? 130 ARG A NH1 1 +ATOM 830 N NH2 . ARG A 1 109 ? -8.277 -19.316 -8.137 1.00 52.92 ? 130 ARG A NH2 1 +ATOM 831 N N . SER A 1 110 ? -6.854 -18.188 0.246 1.00 61.83 ? 131 SER A N 1 +ATOM 832 C CA . SER A 1 110 ? -5.633 -18.796 0.758 1.00 62.15 ? 131 SER A CA 1 +ATOM 833 C C . SER A 1 110 ? -6.045 -20.047 1.498 1.00 62.30 ? 131 SER A C 1 +ATOM 834 O O . SER A 1 110 ? -5.601 -21.148 1.176 1.00 62.57 ? 131 SER A O 1 +ATOM 835 C CB . SER A 1 110 ? -4.892 -17.848 1.704 1.00 62.11 ? 131 SER A CB 1 +ATOM 836 O OG . SER A 1 110 ? -4.118 -16.906 0.980 1.00 62.13 ? 131 SER A OG 1 +ATOM 837 N N . LEU A 1 111 ? -6.923 -19.875 2.476 1.00 62.45 ? 132 LEU A N 1 +ATOM 838 C CA . LEU A 1 111 ? -7.393 -21.005 3.262 1.00 63.27 ? 132 LEU A CA 1 +ATOM 839 C C . LEU A 1 111 ? -7.824 -22.166 2.363 1.00 63.01 ? 132 LEU A C 1 +ATOM 840 O O . LEU A 1 111 ? -7.651 -23.331 2.714 1.00 62.20 ? 132 LEU A O 1 +ATOM 841 C CB . LEU A 1 111 ? -8.568 -20.574 4.156 1.00 64.04 ? 132 LEU A CB 1 +ATOM 842 C CG . LEU A 1 111 ? -8.280 -19.566 5.279 1.00 65.09 ? 132 LEU A CG 1 +ATOM 843 C CD1 . LEU A 1 111 ? -9.577 -18.967 5.801 1.00 64.42 ? 132 LEU A CD1 1 +ATOM 844 C CD2 . LEU A 1 111 ? -7.516 -20.257 6.400 1.00 65.03 ? 132 LEU A CD2 1 +ATOM 845 N N . LEU A 1 112 ? -8.355 -21.848 1.189 1.00 63.04 ? 133 LEU A N 1 +ATOM 846 C CA . LEU A 1 112 ? -8.848 -22.883 0.297 1.00 63.38 ? 133 LEU A CA 1 +ATOM 847 C C . LEU A 1 112 ? -7.916 -23.456 -0.759 1.00 63.68 ? 133 LEU A C 1 +ATOM 848 O O . LEU A 1 112 ? -8.149 -24.565 -1.237 1.00 63.65 ? 133 LEU A O 1 +ATOM 849 C CB . LEU A 1 112 ? -10.131 -22.396 -0.374 1.00 63.75 ? 133 LEU A CB 1 +ATOM 850 C CG . LEU A 1 112 ? -11.322 -22.287 0.572 1.00 63.88 ? 133 LEU A CG 1 +ATOM 851 C CD1 . LEU A 1 112 ? -12.555 -21.873 -0.208 1.00 64.80 ? 133 LEU A CD1 1 +ATOM 852 C CD2 . LEU A 1 112 ? -11.549 -23.632 1.253 1.00 64.80 ? 133 LEU A CD2 1 +ATOM 853 N N . SER A 1 113 ? -6.876 -22.722 -1.136 1.00 64.43 ? 134 SER A N 1 +ATOM 854 C CA . SER A 1 113 ? -5.960 -23.222 -2.156 1.00 64.85 ? 134 SER A CA 1 +ATOM 855 C C . SER A 1 113 ? -5.575 -24.688 -1.931 1.00 64.73 ? 134 SER A C 1 +ATOM 856 O O . SER A 1 113 ? -5.891 -25.558 -2.752 1.00 64.81 ? 134 SER A O 1 +ATOM 857 C CB . SER A 1 113 ? -4.692 -22.369 -2.207 1.00 65.30 ? 134 SER A CB 1 +ATOM 858 O OG . SER A 1 113 ? -4.992 -21.040 -2.580 1.00 66.97 ? 134 SER A OG 1 +ATOM 859 N N . PRO A 1 114 ? -4.906 -24.985 -0.805 1.00 64.13 ? 135 PRO A N 1 +ATOM 860 C CA . PRO A 1 114 ? -4.496 -26.362 -0.519 1.00 63.59 ? 135 PRO A CA 1 +ATOM 861 C C . PRO A 1 114 ? -5.567 -27.401 -0.819 1.00 63.10 ? 135 PRO A C 1 +ATOM 862 O O . PRO A 1 114 ? -5.272 -28.450 -1.386 1.00 63.33 ? 135 PRO A O 1 +ATOM 863 C CB . PRO A 1 114 ? -4.141 -26.310 0.959 1.00 63.17 ? 135 PRO A CB 1 +ATOM 864 C CG . PRO A 1 114 ? -3.602 -24.928 1.110 1.00 64.42 ? 135 PRO A CG 1 +ATOM 865 C CD . PRO A 1 114 ? -4.612 -24.112 0.343 1.00 63.67 ? 135 PRO A CD 1 +ATOM 866 N N . THR A 1 115 ? -6.808 -27.099 -0.444 1.00 62.09 ? 136 THR A N 1 +ATOM 867 C CA . THR A 1 115 ? -7.931 -28.009 -0.651 1.00 61.08 ? 136 THR A CA 1 +ATOM 868 C C . THR A 1 115 ? -8.113 -28.438 -2.107 1.00 60.18 ? 136 THR A C 1 +ATOM 869 O O . THR A 1 115 ? -8.712 -29.481 -2.367 1.00 60.30 ? 136 THR A O 1 +ATOM 870 C CB . THR A 1 115 ? -9.254 -27.364 -0.178 1.00 61.84 ? 136 THR A CB 1 +ATOM 871 O OG1 . THR A 1 115 ? -9.000 -26.554 0.975 1.00 62.81 ? 136 THR A OG1 1 +ATOM 872 C CG2 . THR A 1 115 ? -10.278 -28.434 0.189 1.00 60.44 ? 136 THR A CG2 1 +ATOM 873 N N . PHE A 1 116 ? -7.592 -27.638 -3.044 1.00 60.31 ? 137 PHE A N 1 +ATOM 874 C CA . PHE A 1 116 ? -7.714 -27.912 -4.487 1.00 59.71 ? 137 PHE A CA 1 +ATOM 875 C C . PHE A 1 116 ? -6.396 -28.182 -5.224 1.00 60.38 ? 137 PHE A C 1 +ATOM 876 O O . PHE A 1 116 ? -6.262 -27.905 -6.421 1.00 59.78 ? 137 PHE A O 1 +ATOM 877 C CB . PHE A 1 116 ? -8.446 -26.755 -5.183 1.00 58.38 ? 137 PHE A CB 1 +ATOM 878 C CG . PHE A 1 116 ? -9.854 -26.567 -4.711 1.00 57.47 ? 137 PHE A CG 1 +ATOM 879 C CD1 . PHE A 1 116 ? -10.141 -25.695 -3.667 1.00 55.98 ? 137 PHE A CD1 1 +ATOM 880 C CD2 . PHE A 1 116 ? -10.892 -27.302 -5.280 1.00 56.25 ? 137 PHE A CD2 1 +ATOM 881 C CE1 . PHE A 1 116 ? -11.445 -25.559 -3.189 1.00 56.17 ? 137 PHE A CE1 1 +ATOM 882 C CE2 . PHE A 1 116 ? -12.192 -27.172 -4.811 1.00 55.70 ? 137 PHE A CE2 1 +ATOM 883 C CZ . PHE A 1 116 ? -12.469 -26.298 -3.761 1.00 56.40 ? 137 PHE A CZ 1 +ATOM 884 N N . THR A 1 117 ? -5.424 -28.714 -4.497 1.00 60.39 ? 138 THR A N 1 +ATOM 885 C CA . THR A 1 117 ? -4.128 -29.054 -5.062 1.00 60.59 ? 138 THR A CA 1 +ATOM 886 C C . THR A 1 117 ? -4.282 -30.422 -5.729 1.00 59.95 ? 138 THR A C 1 +ATOM 887 O O . THR A 1 117 ? -5.193 -31.178 -5.382 1.00 59.91 ? 138 THR A O 1 +ATOM 888 C CB . THR A 1 117 ? -3.076 -29.169 -3.947 1.00 60.80 ? 138 THR A CB 1 +ATOM 889 O OG1 . THR A 1 117 ? -3.213 -28.053 -3.060 1.00 61.94 ? 138 THR A OG1 1 +ATOM 890 C CG2 . THR A 1 117 ? -1.675 -29.197 -4.535 1.00 61.50 ? 138 THR A CG2 1 +ATOM 891 N N . SER A 1 118 ? -3.391 -30.753 -6.659 1.00 59.34 ? 139 SER A N 1 +ATOM 892 C CA . SER A 1 118 ? -3.480 -32.040 -7.342 1.00 59.98 ? 139 SER A CA 1 +ATOM 893 C C . SER A 1 118 ? -3.409 -33.214 -6.360 1.00 60.77 ? 139 SER A C 1 +ATOM 894 O O . SER A 1 118 ? -4.195 -34.158 -6.456 1.00 61.07 ? 139 SER A O 1 +ATOM 895 C CB . SER A 1 118 ? -2.376 -32.160 -8.395 1.00 59.49 ? 139 SER A CB 1 +ATOM 896 O OG . SER A 1 118 ? -1.096 -32.030 -7.809 1.00 58.95 ? 139 SER A OG 1 +ATOM 897 N N . GLY A 1 119 ? -2.486 -33.149 -5.407 1.00 60.90 ? 140 GLY A N 1 +ATOM 898 C CA . GLY A 1 119 ? -2.365 -34.227 -4.442 1.00 61.74 ? 140 GLY A CA 1 +ATOM 899 C C . GLY A 1 119 ? -3.693 -34.506 -3.773 1.00 62.40 ? 140 GLY A C 1 +ATOM 900 O O . GLY A 1 119 ? -4.201 -35.629 -3.793 1.00 62.12 ? 140 GLY A O 1 +ATOM 901 N N . LYS A 1 120 ? -4.264 -33.475 -3.171 1.00 63.45 ? 141 LYS A N 1 +ATOM 902 C CA . LYS A 1 120 ? -5.544 -33.625 -2.511 1.00 64.47 ? 141 LYS A CA 1 +ATOM 903 C C . LYS A 1 120 ? -6.490 -34.208 -3.550 1.00 64.71 ? 141 LYS A C 1 +ATOM 904 O O . LYS A 1 120 ? -7.318 -35.061 -3.238 1.00 65.36 ? 141 LYS A O 1 +ATOM 905 C CB . LYS A 1 120 ? -6.074 -32.266 -2.053 1.00 65.30 ? 141 LYS A CB 1 +ATOM 906 C CG . LYS A 1 120 ? -5.022 -31.327 -1.475 1.00 66.22 ? 141 LYS A CG 1 +ATOM 907 C CD . LYS A 1 120 ? -4.752 -31.562 0.007 1.00 67.03 ? 141 LYS A CD 1 +ATOM 908 C CE . LYS A 1 120 ? -3.828 -30.473 0.545 1.00 67.43 ? 141 LYS A CE 1 +ATOM 909 N NZ . LYS A 1 120 ? -3.691 -30.470 2.029 1.00 68.14 ? 141 LYS A NZ 1 +ATOM 910 N N . LEU A 1 121 ? -6.354 -33.743 -4.792 1.00 65.32 ? 142 LEU A N 1 +ATOM 911 C CA . LEU A 1 121 ? -7.205 -34.204 -5.893 1.00 65.96 ? 142 LEU A CA 1 +ATOM 912 C C . LEU A 1 121 ? -7.023 -35.690 -6.169 1.00 66.02 ? 142 LEU A C 1 +ATOM 913 O O . LEU A 1 121 ? -7.957 -36.480 -6.028 1.00 65.65 ? 142 LEU A O 1 +ATOM 914 C CB . LEU A 1 121 ? -6.905 -33.410 -7.172 1.00 64.94 ? 142 LEU A CB 1 +ATOM 915 C CG . LEU A 1 121 ? -7.586 -33.897 -8.456 1.00 64.99 ? 142 LEU A CG 1 +ATOM 916 C CD1 . LEU A 1 121 ? -9.091 -33.984 -8.236 1.00 63.55 ? 142 LEU A CD1 1 +ATOM 917 C CD2 . LEU A 1 121 ? -7.253 -32.962 -9.615 1.00 63.73 ? 142 LEU A CD2 1 +ATOM 918 N N . LYS A 1 122 ? -5.816 -36.058 -6.575 1.00 66.46 ? 143 LYS A N 1 +ATOM 919 C CA . LYS A 1 122 ? -5.495 -37.447 -6.865 1.00 66.63 ? 143 LYS A CA 1 +ATOM 920 C C . LYS A 1 122 ? -6.134 -38.339 -5.798 1.00 66.42 ? 143 LYS A C 1 +ATOM 921 O O . LYS A 1 122 ? -6.838 -39.305 -6.108 1.00 67.14 ? 143 LYS A O 1 +ATOM 922 C CB . LYS A 1 122 ? -3.974 -37.612 -6.876 1.00 67.11 ? 143 LYS A CB 1 +ATOM 923 C CG . LYS A 1 122 ? -3.482 -38.983 -7.273 1.00 67.57 ? 143 LYS A CG 1 +ATOM 924 C CD . LYS A 1 122 ? -1.990 -38.944 -7.594 1.00 67.94 ? 143 LYS A CD 1 +ATOM 925 C CE . LYS A 1 122 ? -1.484 -40.311 -8.065 1.00 67.58 ? 143 LYS A CE 1 +ATOM 926 N NZ . LYS A 1 122 ? -0.142 -40.232 -8.706 1.00 66.42 ? 143 LYS A NZ 1 +ATOM 927 N N . GLU A 1 123 ? -5.919 -37.982 -4.537 1.00 65.70 ? 144 GLU A N 1 +ATOM 928 C CA . GLU A 1 123 ? -6.464 -38.747 -3.429 1.00 64.62 ? 144 GLU A CA 1 +ATOM 929 C C . GLU A 1 123 ? -7.980 -38.834 -3.409 1.00 63.03 ? 144 GLU A C 1 +ATOM 930 O O . GLU A 1 123 ? -8.539 -39.678 -2.720 1.00 62.86 ? 144 GLU A O 1 +ATOM 931 C CB . GLU A 1 123 ? -5.972 -38.170 -2.111 1.00 66.96 ? 144 GLU A CB 1 +ATOM 932 C CG . GLU A 1 123 ? -4.458 -38.092 -2.024 1.00 70.41 ? 144 GLU A CG 1 +ATOM 933 C CD . GLU A 1 123 ? -3.977 -37.655 -0.653 1.00 72.33 ? 144 GLU A CD 1 +ATOM 934 O OE1 . GLU A 1 123 ? -2.794 -37.260 -0.531 1.00 73.91 ? 144 GLU A OE1 1 +ATOM 935 O OE2 . GLU A 1 123 ? -4.781 -37.717 0.305 1.00 73.79 ? 144 GLU A OE2 1 +ATOM 936 N N . MET A 1 124 ? -8.649 -37.966 -4.159 1.00 61.33 ? 145 MET A N 1 +ATOM 937 C CA . MET A 1 124 ? -10.107 -37.986 -4.208 1.00 60.11 ? 145 MET A CA 1 +ATOM 938 C C . MET A 1 124 ? -10.585 -38.846 -5.386 1.00 57.90 ? 145 MET A C 1 +ATOM 939 O O . MET A 1 124 ? -11.756 -39.224 -5.460 1.00 56.99 ? 145 MET A O 1 +ATOM 940 C CB . MET A 1 124 ? -10.659 -36.542 -4.316 1.00 62.14 ? 145 MET A CB 1 +ATOM 941 C CG . MET A 1 124 ? -10.202 -35.616 -3.160 1.00 63.70 ? 145 MET A CG 1 +ATOM 942 S SD . MET A 1 124 ? -10.648 -33.831 -3.238 1.00 65.81 ? 145 MET A SD 1 +ATOM 943 C CE . MET A 1 124 ? -12.151 -33.793 -2.156 1.00 63.69 ? 145 MET A CE 1 +ATOM 944 N N . VAL A 1 125 ? -9.673 -39.169 -6.299 1.00 56.66 ? 146 VAL A N 1 +ATOM 945 C CA . VAL A 1 125 ? -10.032 -39.981 -7.464 1.00 55.87 ? 146 VAL A CA 1 +ATOM 946 C C . VAL A 1 125 ? -10.759 -41.283 -7.119 1.00 56.00 ? 146 VAL A C 1 +ATOM 947 O O . VAL A 1 125 ? -11.823 -41.586 -7.679 1.00 56.34 ? 146 VAL A O 1 +ATOM 948 C CB . VAL A 1 125 ? -8.788 -40.327 -8.320 1.00 55.03 ? 146 VAL A CB 1 +ATOM 949 C CG1 . VAL A 1 125 ? -9.126 -41.417 -9.317 1.00 51.82 ? 146 VAL A CG1 1 +ATOM 950 C CG2 . VAL A 1 125 ? -8.301 -39.080 -9.049 1.00 56.23 ? 146 VAL A CG2 1 +ATOM 951 N N . PRO A 1 126 ? -10.204 -42.073 -6.190 1.00 55.50 ? 147 PRO A N 1 +ATOM 952 C CA . PRO A 1 126 ? -10.871 -43.331 -5.839 1.00 55.23 ? 147 PRO A CA 1 +ATOM 953 C C . PRO A 1 126 ? -12.339 -43.142 -5.506 1.00 55.22 ? 147 PRO A C 1 +ATOM 954 O O . PRO A 1 126 ? -13.169 -43.980 -5.856 1.00 55.58 ? 147 PRO A O 1 +ATOM 955 C CB . PRO A 1 126 ? -10.063 -43.827 -4.649 1.00 55.67 ? 147 PRO A CB 1 +ATOM 956 C CG . PRO A 1 126 ? -8.686 -43.292 -4.941 1.00 56.07 ? 147 PRO A CG 1 +ATOM 957 C CD . PRO A 1 126 ? -8.991 -41.876 -5.380 1.00 56.41 ? 147 PRO A CD 1 +ATOM 958 N N . ILE A 1 127 ? -12.668 -42.035 -4.842 1.00 55.37 ? 148 ILE A N 1 +ATOM 959 C CA . ILE A 1 127 ? -14.057 -41.779 -4.478 1.00 56.10 ? 148 ILE A CA 1 +ATOM 960 C C . ILE A 1 127 ? -14.889 -41.496 -5.714 1.00 55.02 ? 148 ILE A C 1 +ATOM 961 O O . ILE A 1 127 ? -15.911 -42.135 -5.947 1.00 54.39 ? 148 ILE A O 1 +ATOM 962 C CB . ILE A 1 127 ? -14.222 -40.558 -3.544 1.00 57.02 ? 148 ILE A CB 1 +ATOM 963 C CG1 . ILE A 1 127 ? -13.272 -40.659 -2.358 1.00 58.20 ? 148 ILE A CG1 1 +ATOM 964 C CG2 . ILE A 1 127 ? -15.670 -40.478 -3.049 1.00 57.87 ? 148 ILE A CG2 1 +ATOM 965 C CD1 . ILE A 1 127 ? -11.840 -40.324 -2.705 1.00 60.81 ? 148 ILE A CD1 1 +ATOM 966 N N . ILE A 1 128 ? -14.451 -40.518 -6.499 1.00 55.03 ? 149 ILE A N 1 +ATOM 967 C CA . ILE A 1 128 ? -15.184 -40.152 -7.700 1.00 54.71 ? 149 ILE A CA 1 +ATOM 968 C C . ILE A 1 128 ? -15.245 -41.322 -8.671 1.00 53.96 ? 149 ILE A C 1 +ATOM 969 O O . ILE A 1 128 ? -16.311 -41.633 -9.207 1.00 52.25 ? 149 ILE A O 1 +ATOM 970 C CB . ILE A 1 128 ? -14.577 -38.873 -8.371 1.00 54.67 ? 149 ILE A CB 1 +ATOM 971 C CG1 . ILE A 1 128 ? -13.087 -39.032 -8.636 1.00 55.83 ? 149 ILE A CG1 1 +ATOM 972 C CG2 . ILE A 1 128 ? -14.716 -37.690 -7.435 1.00 55.43 ? 149 ILE A CG2 1 +ATOM 973 C CD1 . ILE A 1 128 ? -12.391 -37.708 -8.977 1.00 56.85 ? 149 ILE A CD1 1 +ATOM 974 N N . ALA A 1 129 ? -14.109 -41.992 -8.861 1.00 54.52 ? 150 ALA A N 1 +ATOM 975 C CA . ALA A 1 129 ? -14.040 -43.131 -9.764 1.00 55.16 ? 150 ALA A CA 1 +ATOM 976 C C . ALA A 1 129 ? -15.095 -44.129 -9.328 1.00 54.76 ? 150 ALA A C 1 +ATOM 977 O O . ALA A 1 129 ? -15.850 -44.660 -10.142 1.00 55.40 ? 150 ALA A O 1 +ATOM 978 C CB . ALA A 1 129 ? -12.646 -43.759 -9.713 1.00 56.21 ? 150 ALA A CB 1 +ATOM 979 N N . GLN A 1 130 ? -15.155 -44.362 -8.023 1.00 55.19 ? 151 GLN A N 1 +ATOM 980 C CA . GLN A 1 130 ? -16.126 -45.283 -7.452 1.00 53.91 ? 151 GLN A CA 1 +ATOM 981 C C . GLN A 1 130 ? -17.525 -44.974 -7.975 1.00 51.59 ? 151 GLN A C 1 +ATOM 982 O O . GLN A 1 130 ? -18.287 -45.886 -8.282 1.00 51.94 ? 151 GLN A O 1 +ATOM 983 C CB . GLN A 1 130 ? -16.072 -45.181 -5.931 1.00 56.77 ? 151 GLN A CB 1 +ATOM 984 C CG . GLN A 1 130 ? -17.269 -45.734 -5.192 1.00 60.49 ? 151 GLN A CG 1 +ATOM 985 C CD . GLN A 1 130 ? -17.166 -45.458 -3.706 1.00 63.07 ? 151 GLN A CD 1 +ATOM 986 O OE1 . GLN A 1 130 ? -18.127 -45.634 -2.954 1.00 64.06 ? 151 GLN A OE1 1 +ATOM 987 N NE2 . GLN A 1 130 ? -15.986 -45.022 -3.273 1.00 65.44 ? 151 GLN A NE2 1 +ATOM 988 N N . TYR A 1 131 ? -17.865 -43.692 -8.099 1.00 49.63 ? 152 TYR A N 1 +ATOM 989 C CA . TYR A 1 131 ? -19.188 -43.338 -8.605 1.00 47.48 ? 152 TYR A CA 1 +ATOM 990 C C . TYR A 1 131 ? -19.314 -43.438 -10.112 1.00 46.50 ? 152 TYR A C 1 +ATOM 991 O O . TYR A 1 131 ? -20.426 -43.465 -10.664 1.00 44.44 ? 152 TYR A O 1 +ATOM 992 C CB . TYR A 1 131 ? -19.622 -41.968 -8.077 1.00 48.55 ? 152 TYR A CB 1 +ATOM 993 C CG . TYR A 1 131 ? -20.029 -42.125 -6.635 1.00 49.32 ? 152 TYR A CG 1 +ATOM 994 C CD1 . TYR A 1 131 ? -19.091 -41.972 -5.609 1.00 50.23 ? 152 TYR A CD1 1 +ATOM 995 C CD2 . TYR A 1 131 ? -21.293 -42.624 -6.306 1.00 48.82 ? 152 TYR A CD2 1 +ATOM 996 C CE1 . TYR A 1 131 ? -19.395 -42.327 -4.298 1.00 51.91 ? 152 TYR A CE1 1 +ATOM 997 C CE2 . TYR A 1 131 ? -21.609 -42.981 -5.003 1.00 50.39 ? 152 TYR A CE2 1 +ATOM 998 C CZ . TYR A 1 131 ? -20.652 -42.835 -4.007 1.00 51.27 ? 152 TYR A CZ 1 +ATOM 999 O OH . TYR A 1 131 ? -20.929 -43.236 -2.725 1.00 54.42 ? 152 TYR A OH 1 +ATOM 1000 N N . GLY A 1 132 ? -18.172 -43.511 -10.783 1.00 46.51 ? 153 GLY A N 1 +ATOM 1001 C CA . GLY A 1 132 ? -18.211 -43.699 -12.218 1.00 46.83 ? 153 GLY A CA 1 +ATOM 1002 C C . GLY A 1 132 ? -18.753 -45.115 -12.372 1.00 46.58 ? 153 GLY A C 1 +ATOM 1003 O O . GLY A 1 132 ? -19.604 -45.392 -13.235 1.00 45.58 ? 153 GLY A O 1 +ATOM 1004 N N . ASP A 1 133 ? -18.289 -46.021 -11.509 1.00 47.43 ? 154 ASP A N 1 +ATOM 1005 C CA . ASP A 1 133 ? -18.785 -47.402 -11.576 1.00 48.39 ? 154 ASP A CA 1 +ATOM 1006 C C . ASP A 1 133 ? -20.288 -47.386 -11.356 1.00 47.66 ? 154 ASP A C 1 +ATOM 1007 O O . ASP A 1 133 ? -21.038 -48.078 -12.062 1.00 47.47 ? 154 ASP A O 1 +ATOM 1008 C CB . ASP A 1 133 ? -18.133 -48.307 -10.525 1.00 49.92 ? 154 ASP A CB 1 +ATOM 1009 C CG . ASP A 1 133 ? -16.633 -48.503 -10.749 1.00 52.78 ? 154 ASP A CG 1 +ATOM 1010 O OD1 . ASP A 1 133 ? -16.156 -48.373 -11.902 1.00 52.70 ? 154 ASP A OD1 1 +ATOM 1011 O OD2 . ASP A 1 133 ? -15.928 -48.804 -9.754 1.00 54.89 ? 154 ASP A OD2 1 +ATOM 1012 N N . VAL A 1 134 ? -20.728 -46.586 -10.381 1.00 46.50 ? 155 VAL A N 1 +ATOM 1013 C CA . VAL A 1 134 ? -22.150 -46.471 -10.084 1.00 44.68 ? 155 VAL A CA 1 +ATOM 1014 C C . VAL A 1 134 ? -22.941 -45.937 -11.287 1.00 43.80 ? 155 VAL A C 1 +ATOM 1015 O O . VAL A 1 134 ? -24.032 -46.433 -11.604 1.00 41.91 ? 155 VAL A O 1 +ATOM 1016 C CB . VAL A 1 134 ? -22.400 -45.517 -8.871 1.00 46.52 ? 155 VAL A CB 1 +ATOM 1017 C CG1 . VAL A 1 134 ? -23.906 -45.377 -8.614 1.00 43.97 ? 155 VAL A CG1 1 +ATOM 1018 C CG2 . VAL A 1 134 ? -21.680 -46.044 -7.618 1.00 45.06 ? 155 VAL A CG2 1 +ATOM 1019 N N . LEU A 1 135 ? -22.407 -44.910 -11.952 1.00 42.45 ? 156 LEU A N 1 +ATOM 1020 C CA . LEU A 1 135 ? -23.106 -44.334 -13.105 1.00 42.37 ? 156 LEU A CA 1 +ATOM 1021 C C . LEU A 1 135 ? -23.208 -45.358 -14.218 1.00 41.31 ? 156 LEU A C 1 +ATOM 1022 O O . LEU A 1 135 ? -24.232 -45.483 -14.881 1.00 39.83 ? 156 LEU A O 1 +ATOM 1023 C CB . LEU A 1 135 ? -22.373 -43.095 -13.629 1.00 42.93 ? 156 LEU A CB 1 +ATOM 1024 C CG . LEU A 1 135 ? -22.693 -42.707 -15.077 1.00 43.93 ? 156 LEU A CG 1 +ATOM 1025 C CD1 . LEU A 1 135 ? -24.137 -42.222 -15.216 1.00 42.28 ? 156 LEU A CD1 1 +ATOM 1026 C CD2 . LEU A 1 135 ? -21.711 -41.632 -15.514 1.00 44.26 ? 156 LEU A CD2 1 +ATOM 1027 N N . VAL A 1 136 ? -22.127 -46.090 -14.432 1.00 43.24 ? 157 VAL A N 1 +ATOM 1028 C CA . VAL A 1 136 ? -22.160 -47.101 -15.476 1.00 44.17 ? 157 VAL A CA 1 +ATOM 1029 C C . VAL A 1 136 ? -23.175 -48.161 -15.089 1.00 45.02 ? 157 VAL A C 1 +ATOM 1030 O O . VAL A 1 136 ? -24.045 -48.533 -15.882 1.00 42.05 ? 157 VAL A O 1 +ATOM 1031 C CB . VAL A 1 136 ? -20.778 -47.723 -15.677 1.00 43.66 ? 157 VAL A CB 1 +ATOM 1032 C CG1 . VAL A 1 136 ? -20.899 -49.191 -16.111 1.00 45.86 ? 157 VAL A CG1 1 +ATOM 1033 C CG2 . VAL A 1 136 ? -20.051 -46.934 -16.764 1.00 44.21 ? 157 VAL A CG2 1 +ATOM 1034 N N . ARG A 1 137 ? -23.056 -48.626 -13.848 1.00 46.53 ? 158 ARG A N 1 +ATOM 1035 C CA . ARG A 1 137 ? -23.958 -49.637 -13.336 1.00 48.52 ? 158 ARG A CA 1 +ATOM 1036 C C . ARG A 1 137 ? -25.343 -49.097 -13.600 1.00 48.29 ? 158 ARG A C 1 +ATOM 1037 O O . ARG A 1 137 ? -26.226 -49.805 -14.078 1.00 48.72 ? 158 ARG A O 1 +ATOM 1038 C CB . ARG A 1 137 ? -23.741 -49.807 -11.838 1.00 51.87 ? 158 ARG A CB 1 +ATOM 1039 C CG . ARG A 1 137 ? -24.083 -51.174 -11.293 1.00 56.30 ? 158 ARG A CG 1 +ATOM 1040 C CD . ARG A 1 137 ? -22.933 -52.158 -11.485 1.00 60.55 ? 158 ARG A CD 1 +ATOM 1041 N NE . ARG A 1 137 ? -21.657 -51.661 -10.956 1.00 63.75 ? 158 ARG A NE 1 +ATOM 1042 C CZ . ARG A 1 137 ? -21.508 -51.026 -9.793 1.00 64.05 ? 158 ARG A CZ 1 +ATOM 1043 N NH1 . ARG A 1 137 ? -22.554 -50.790 -9.011 1.00 64.73 ? 158 ARG A NH1 1 +ATOM 1044 N NH2 . ARG A 1 137 ? -20.304 -50.625 -9.406 1.00 65.29 ? 158 ARG A NH2 1 +ATOM 1045 N N . ASN A 1 138 ? -25.518 -47.811 -13.317 1.00 48.51 ? 159 ASN A N 1 +ATOM 1046 C CA . ASN A 1 138 ? -26.807 -47.189 -13.513 1.00 48.57 ? 159 ASN A CA 1 +ATOM 1047 C C . ASN A 1 138 ? -27.206 -47.060 -14.965 1.00 50.22 ? 159 ASN A C 1 +ATOM 1048 O O . ASN A 1 138 ? -28.309 -47.456 -15.353 1.00 49.63 ? 159 ASN A O 1 +ATOM 1049 C CB . ASN A 1 138 ? -26.834 -45.832 -12.813 1.00 48.68 ? 159 ASN A CB 1 +ATOM 1050 C CG . ASN A 1 138 ? -27.508 -45.910 -11.449 1.00 48.58 ? 159 ASN A CG 1 +ATOM 1051 O OD1 . ASN A 1 138 ? -28.660 -46.342 -11.352 1.00 49.04 ? 159 ASN A OD1 1 +ATOM 1052 N ND2 . ASN A 1 138 ? -26.795 -45.513 -10.396 1.00 44.08 ? 159 ASN A ND2 1 +ATOM 1053 N N . LEU A 1 139 ? -26.301 -46.519 -15.774 1.00 51.11 ? 160 LEU A N 1 +ATOM 1054 C CA . LEU A 1 139 ? -26.587 -46.350 -17.186 1.00 54.37 ? 160 LEU A CA 1 +ATOM 1055 C C . LEU A 1 139 ? -26.860 -47.705 -17.836 1.00 55.24 ? 160 LEU A C 1 +ATOM 1056 O O . LEU A 1 139 ? -27.697 -47.823 -18.745 1.00 52.49 ? 160 LEU A O 1 +ATOM 1057 C CB . LEU A 1 139 ? -25.416 -45.639 -17.875 1.00 54.76 ? 160 LEU A CB 1 +ATOM 1058 C CG . LEU A 1 139 ? -25.756 -44.952 -19.194 1.00 53.66 ? 160 LEU A CG 1 +ATOM 1059 C CD1 . LEU A 1 139 ? -27.011 -44.093 -19.050 1.00 54.36 ? 160 LEU A CD1 1 +ATOM 1060 C CD2 . LEU A 1 139 ? -24.583 -44.120 -19.626 1.00 53.69 ? 160 LEU A CD2 1 +ATOM 1061 N N . ARG A 1 140 ? -26.164 -48.730 -17.357 1.00 57.43 ? 161 ARG A N 1 +ATOM 1062 C CA . ARG A 1 140 ? -26.361 -50.073 -17.896 1.00 61.84 ? 161 ARG A CA 1 +ATOM 1063 C C . ARG A 1 140 ? -27.861 -50.372 -17.975 1.00 64.35 ? 161 ARG A C 1 +ATOM 1064 O O . ARG A 1 140 ? -28.379 -50.772 -19.022 1.00 64.16 ? 161 ARG A O 1 +ATOM 1065 C CB . ARG A 1 140 ? -25.684 -51.111 -16.996 1.00 61.86 ? 161 ARG A CB 1 +ATOM 1066 C CG . ARG A 1 140 ? -25.914 -52.554 -17.422 1.00 61.91 ? 161 ARG A CG 1 +ATOM 1067 C CD . ARG A 1 140 ? -24.876 -52.965 -18.434 1.00 60.54 ? 161 ARG A CD 1 +ATOM 1068 N NE . ARG A 1 140 ? -23.533 -52.826 -17.879 1.00 60.12 ? 161 ARG A NE 1 +ATOM 1069 C CZ . ARG A 1 140 ? -22.444 -52.669 -18.622 1.00 59.82 ? 161 ARG A CZ 1 +ATOM 1070 N NH1 . ARG A 1 140 ? -22.558 -52.632 -19.945 1.00 58.68 ? 161 ARG A NH1 1 +ATOM 1071 N NH2 . ARG A 1 140 ? -21.250 -52.552 -18.047 1.00 59.12 ? 161 ARG A NH2 1 +ATOM 1072 N N . ARG A 1 141 ? -28.551 -50.159 -16.858 1.00 66.59 ? 162 ARG A N 1 +ATOM 1073 C CA . ARG A 1 141 ? -29.982 -50.408 -16.787 1.00 70.14 ? 162 ARG A CA 1 +ATOM 1074 C C . ARG A 1 141 ? -30.821 -49.564 -17.744 1.00 71.80 ? 162 ARG A C 1 +ATOM 1075 O O . ARG A 1 141 ? -31.612 -50.104 -18.511 1.00 72.66 ? 162 ARG A O 1 +ATOM 1076 C CB . ARG A 1 141 ? -30.489 -50.188 -15.355 1.00 70.29 ? 162 ARG A CB 1 +ATOM 1077 C CG . ARG A 1 141 ? -30.230 -51.350 -14.407 1.00 71.74 ? 162 ARG A CG 1 +ATOM 1078 C CD . ARG A 1 141 ? -31.041 -51.196 -13.117 1.00 73.19 ? 162 ARG A CD 1 +ATOM 1079 N NE . ARG A 1 141 ? -30.390 -50.312 -12.157 1.00 74.17 ? 162 ARG A NE 1 +ATOM 1080 C CZ . ARG A 1 141 ? -29.445 -50.707 -11.311 1.00 75.39 ? 162 ARG A CZ 1 +ATOM 1081 N NH1 . ARG A 1 141 ? -28.897 -49.837 -10.472 1.00 75.57 ? 162 ARG A NH1 1 +ATOM 1082 N NH2 . ARG A 1 141 ? -29.061 -51.979 -11.289 1.00 75.17 ? 162 ARG A NH2 1 +ATOM 1083 N N . GLU A 1 142 ? -30.645 -48.244 -17.693 1.00 74.22 ? 163 GLU A N 1 +ATOM 1084 C CA . GLU A 1 142 ? -31.419 -47.313 -18.526 1.00 75.37 ? 163 GLU A CA 1 +ATOM 1085 C C . GLU A 1 142 ? -31.348 -47.592 -20.030 1.00 75.20 ? 163 GLU A C 1 +ATOM 1086 O O . GLU A 1 142 ? -32.285 -47.283 -20.775 1.00 74.16 ? 163 GLU A O 1 +ATOM 1087 C CB . GLU A 1 142 ? -30.981 -45.868 -18.245 1.00 76.72 ? 163 GLU A CB 1 +ATOM 1088 C CG . GLU A 1 142 ? -32.041 -44.802 -18.590 1.00 78.82 ? 163 GLU A CG 1 +ATOM 1089 C CD . GLU A 1 142 ? -32.903 -44.379 -17.392 1.00 80.35 ? 163 GLU A CD 1 +ATOM 1090 O OE1 . GLU A 1 142 ? -32.355 -43.810 -16.415 1.00 80.63 ? 163 GLU A OE1 1 +ATOM 1091 O OE2 . GLU A 1 142 ? -34.135 -44.612 -17.429 1.00 80.98 ? 163 GLU A OE2 1 +ATOM 1092 N N . ALA A 1 143 ? -30.240 -48.170 -20.475 1.00 75.70 ? 164 ALA A N 1 +ATOM 1093 C CA . ALA A 1 143 ? -30.084 -48.488 -21.890 1.00 76.46 ? 164 ALA A CA 1 +ATOM 1094 C C . ALA A 1 143 ? -30.608 -49.884 -22.085 1.00 76.81 ? 164 ALA A C 1 +ATOM 1095 O O . ALA A 1 143 ? -31.484 -50.129 -22.913 1.00 76.94 ? 164 ALA A O 1 +ATOM 1096 C CB . ALA A 1 143 ? -28.625 -48.432 -22.292 1.00 76.43 ? 164 ALA A CB 1 +ATOM 1097 N N . GLU A 1 144 ? -30.043 -50.798 -21.304 1.00 77.74 ? 165 GLU A N 1 +ATOM 1098 C CA . GLU A 1 144 ? -30.408 -52.213 -21.324 1.00 78.02 ? 165 GLU A CA 1 +ATOM 1099 C C . GLU A 1 144 ? -31.910 -52.338 -21.536 1.00 78.15 ? 165 GLU A C 1 +ATOM 1100 O O . GLU A 1 144 ? -32.378 -53.244 -22.221 1.00 78.27 ? 165 GLU A O 1 +ATOM 1101 C CB . GLU A 1 144 ? -30.010 -52.837 -19.987 1.00 78.25 ? 165 GLU A CB 1 +ATOM 1102 C CG . GLU A 1 144 ? -29.893 -54.341 -19.941 1.00 77.70 ? 165 GLU A CG 1 +ATOM 1103 C CD . GLU A 1 144 ? -29.232 -54.788 -18.643 1.00 78.89 ? 165 GLU A CD 1 +ATOM 1104 O OE1 . GLU A 1 144 ? -29.548 -54.180 -17.584 1.00 79.21 ? 165 GLU A OE1 1 +ATOM 1105 O OE2 . GLU A 1 144 ? -28.408 -55.733 -18.669 1.00 77.85 ? 165 GLU A OE2 1 +ATOM 1106 N N . THR A 1 145 ? -32.653 -51.405 -20.944 1.00 78.08 ? 166 THR A N 1 +ATOM 1107 C CA . THR A 1 145 ? -34.105 -51.379 -21.048 1.00 78.26 ? 166 THR A CA 1 +ATOM 1108 C C . THR A 1 145 ? -34.558 -51.211 -22.490 1.00 77.55 ? 166 THR A C 1 +ATOM 1109 O O . THR A 1 145 ? -35.150 -52.121 -23.067 1.00 77.70 ? 166 THR A O 1 +ATOM 1110 C CB . THR A 1 145 ? -34.696 -50.232 -20.206 1.00 79.27 ? 166 THR A CB 1 +ATOM 1111 O OG1 . THR A 1 145 ? -34.351 -50.433 -18.826 1.00 78.87 ? 166 THR A OG1 1 +ATOM 1112 C CG2 . THR A 1 145 ? -36.224 -50.181 -20.360 1.00 78.99 ? 166 THR A CG2 1 +ATOM 1113 N N . GLY A 1 146 ? -34.294 -50.040 -23.064 1.00 76.95 ? 167 GLY A N 1 +ATOM 1114 C CA . GLY A 1 146 ? -34.679 -49.799 -24.445 1.00 75.08 ? 167 GLY A CA 1 +ATOM 1115 C C . GLY A 1 146 ? -34.894 -48.341 -24.805 1.00 73.17 ? 167 GLY A C 1 +ATOM 1116 O O . GLY A 1 146 ? -34.499 -47.898 -25.890 1.00 74.16 ? 167 GLY A O 1 +ATOM 1117 N N . LYS A 1 147 ? -35.510 -47.595 -23.891 1.00 70.96 ? 168 LYS A N 1 +ATOM 1118 C CA . LYS A 1 147 ? -35.809 -46.180 -24.113 1.00 68.00 ? 168 LYS A CA 1 +ATOM 1119 C C . LYS A 1 147 ? -34.591 -45.265 -24.088 1.00 65.10 ? 168 LYS A C 1 +ATOM 1120 O O . LYS A 1 147 ? -33.571 -45.588 -23.466 1.00 64.59 ? 168 LYS A O 1 +ATOM 1121 C CB . LYS A 1 147 ? -36.844 -45.697 -23.083 1.00 68.62 ? 168 LYS A CB 1 +ATOM 1122 C CG . LYS A 1 147 ? -38.282 -46.126 -23.411 1.00 68.57 ? 168 LYS A CG 1 +ATOM 1123 C CD . LYS A 1 147 ? -39.226 -46.033 -22.207 1.00 68.97 ? 168 LYS A CD 1 +ATOM 1124 C CE . LYS A 1 147 ? -39.301 -44.622 -21.625 1.00 69.75 ? 168 LYS A CE 1 +ATOM 1125 N NZ . LYS A 1 147 ? -38.041 -44.211 -20.937 1.00 69.57 ? 168 LYS A NZ 1 +ATOM 1126 N N . PRO A 1 148 ? -34.683 -44.119 -24.787 1.00 62.27 ? 169 PRO A N 1 +ATOM 1127 C CA . PRO A 1 148 ? -33.621 -43.111 -24.883 1.00 60.59 ? 169 PRO A CA 1 +ATOM 1128 C C . PRO A 1 148 ? -33.298 -42.583 -23.494 1.00 58.00 ? 169 PRO A C 1 +ATOM 1129 O O . PRO A 1 148 ? -34.181 -42.519 -22.643 1.00 57.92 ? 169 PRO A O 1 +ATOM 1130 C CB . PRO A 1 148 ? -34.246 -42.032 -25.765 1.00 60.56 ? 169 PRO A CB 1 +ATOM 1131 C CG . PRO A 1 148 ? -35.162 -42.796 -26.624 1.00 62.38 ? 169 PRO A CG 1 +ATOM 1132 C CD . PRO A 1 148 ? -35.815 -43.747 -25.649 1.00 62.09 ? 169 PRO A CD 1 +ATOM 1133 N N . VAL A 1 149 ? -32.041 -42.212 -23.268 1.00 55.23 ? 170 VAL A N 1 +ATOM 1134 C CA . VAL A 1 149 ? -31.617 -41.690 -21.975 1.00 52.54 ? 170 VAL A CA 1 +ATOM 1135 C C . VAL A 1 149 ? -31.552 -40.157 -21.964 1.00 51.23 ? 170 VAL A C 1 +ATOM 1136 O O . VAL A 1 149 ? -31.065 -39.543 -22.915 1.00 50.07 ? 170 VAL A O 1 +ATOM 1137 C CB . VAL A 1 149 ? -30.247 -42.267 -21.586 1.00 51.81 ? 170 VAL A CB 1 +ATOM 1138 C CG1 . VAL A 1 149 ? -29.762 -41.673 -20.271 1.00 52.31 ? 170 VAL A CG1 1 +ATOM 1139 C CG2 . VAL A 1 149 ? -30.358 -43.764 -21.452 1.00 53.39 ? 170 VAL A CG2 1 +ATOM 1140 N N . THR A 1 150 ? -32.087 -39.547 -20.903 1.00 49.39 ? 171 THR A N 1 +ATOM 1141 C CA . THR A 1 150 ? -32.056 -38.091 -20.762 1.00 48.19 ? 171 THR A CA 1 +ATOM 1142 C C . THR A 1 150 ? -30.787 -37.803 -19.974 1.00 46.34 ? 171 THR A C 1 +ATOM 1143 O O . THR A 1 150 ? -30.701 -38.079 -18.776 1.00 45.15 ? 171 THR A O 1 +ATOM 1144 C CB . THR A 1 150 ? -33.280 -37.540 -19.982 1.00 50.06 ? 171 THR A CB 1 +ATOM 1145 O OG1 . THR A 1 150 ? -34.491 -37.848 -20.689 1.00 48.53 ? 171 THR A OG1 1 +ATOM 1146 C CG2 . THR A 1 150 ? -33.166 -36.019 -19.843 1.00 49.34 ? 171 THR A CG2 1 +ATOM 1147 N N . LEU A 1 151 ? -29.798 -37.252 -20.669 1.00 44.36 ? 172 LEU A N 1 +ATOM 1148 C CA . LEU A 1 151 ? -28.492 -36.962 -20.077 1.00 43.48 ? 172 LEU A CA 1 +ATOM 1149 C C . LEU A 1 151 ? -28.490 -36.148 -18.783 1.00 42.37 ? 172 LEU A C 1 +ATOM 1150 O O . LEU A 1 151 ? -27.858 -36.552 -17.810 1.00 41.88 ? 172 LEU A O 1 +ATOM 1151 C CB . LEU A 1 151 ? -27.592 -36.277 -21.121 1.00 40.38 ? 172 LEU A CB 1 +ATOM 1152 C CG . LEU A 1 151 ? -27.504 -36.996 -22.476 1.00 40.01 ? 172 LEU A CG 1 +ATOM 1153 C CD1 . LEU A 1 151 ? -26.501 -36.267 -23.389 1.00 35.43 ? 172 LEU A CD1 1 +ATOM 1154 C CD2 . LEU A 1 151 ? -27.074 -38.453 -22.260 1.00 39.73 ? 172 LEU A CD2 1 +ATOM 1155 N N . LYS A 1 152 ? -29.176 -35.009 -18.762 1.00 43.52 ? 173 LYS A N 1 +ATOM 1156 C CA . LYS A 1 152 ? -29.197 -34.180 -17.540 1.00 46.06 ? 173 LYS A CA 1 +ATOM 1157 C C . LYS A 1 152 ? -29.413 -35.035 -16.291 1.00 44.00 ? 173 LYS A C 1 +ATOM 1158 O O . LYS A 1 152 ? -28.750 -34.842 -15.276 1.00 43.87 ? 173 LYS A O 1 +ATOM 1159 C CB . LYS A 1 152 ? -30.295 -33.111 -17.613 1.00 47.42 ? 173 LYS A CB 1 +ATOM 1160 C CG . LYS A 1 152 ? -31.709 -33.664 -17.780 1.00 52.72 ? 173 LYS A CG 1 +ATOM 1161 C CD . LYS A 1 152 ? -32.757 -32.541 -17.792 1.00 55.69 ? 173 LYS A CD 1 +ATOM 1162 C CE . LYS A 1 152 ? -34.187 -33.086 -17.701 1.00 57.64 ? 173 LYS A CE 1 +ATOM 1163 N NZ . LYS A 1 152 ? -34.475 -33.849 -16.436 1.00 57.30 ? 173 LYS A NZ 1 +ATOM 1164 N N . ASP A 1 153 ? -30.332 -35.990 -16.378 1.00 44.02 ? 174 ASP A N 1 +ATOM 1165 C CA . ASP A 1 153 ? -30.606 -36.867 -15.242 1.00 44.19 ? 174 ASP A CA 1 +ATOM 1166 C C . ASP A 1 153 ? -29.464 -37.801 -14.867 1.00 43.13 ? 174 ASP A C 1 +ATOM 1167 O O . ASP A 1 153 ? -29.022 -37.798 -13.711 1.00 41.99 ? 174 ASP A O 1 +ATOM 1168 C CB . ASP A 1 153 ? -31.873 -37.667 -15.497 1.00 44.27 ? 174 ASP A CB 1 +ATOM 1169 C CG . ASP A 1 153 ? -33.059 -36.777 -15.732 1.00 45.21 ? 174 ASP A CG 1 +ATOM 1170 O OD1 . ASP A 1 153 ? -33.054 -35.650 -15.194 1.00 45.81 ? 174 ASP A OD1 1 +ATOM 1171 O OD2 . ASP A 1 153 ? -33.994 -37.194 -16.442 1.00 45.61 ? 174 ASP A OD2 1 +ATOM 1172 N N . VAL A 1 154 ? -28.968 -38.583 -15.832 1.00 42.60 ? 175 VAL A N 1 +ATOM 1173 C CA . VAL A 1 154 ? -27.874 -39.495 -15.530 1.00 41.08 ? 175 VAL A CA 1 +ATOM 1174 C C . VAL A 1 154 ? -26.658 -38.736 -15.033 1.00 39.55 ? 175 VAL A C 1 +ATOM 1175 O O . VAL A 1 154 ? -25.995 -39.156 -14.067 1.00 37.26 ? 175 VAL A O 1 +ATOM 1176 C CB . VAL A 1 154 ? -27.456 -40.360 -16.753 1.00 43.44 ? 175 VAL A CB 1 +ATOM 1177 C CG1 . VAL A 1 154 ? -27.687 -41.828 -16.435 1.00 44.72 ? 175 VAL A CG1 1 +ATOM 1178 C CG2 . VAL A 1 154 ? -28.237 -39.941 -17.999 1.00 45.48 ? 175 VAL A CG2 1 +ATOM 1179 N N . PHE A 1 155 ? -26.344 -37.617 -15.680 1.00 37.68 ? 176 PHE A N 1 +ATOM 1180 C CA . PHE A 1 155 ? -25.188 -36.844 -15.232 1.00 39.60 ? 176 PHE A CA 1 +ATOM 1181 C C . PHE A 1 155 ? -25.520 -36.017 -13.995 1.00 38.05 ? 176 PHE A C 1 +ATOM 1182 O O . PHE A 1 155 ? -24.648 -35.763 -13.156 1.00 38.70 ? 176 PHE A O 1 +ATOM 1183 C CB . PHE A 1 155 ? -24.653 -35.980 -16.366 1.00 40.49 ? 176 PHE A CB 1 +ATOM 1184 C CG . PHE A 1 155 ? -24.065 -36.789 -17.485 1.00 44.06 ? 176 PHE A CG 1 +ATOM 1185 C CD1 . PHE A 1 155 ? -23.071 -37.724 -17.217 1.00 43.79 ? 176 PHE A CD1 1 +ATOM 1186 C CD2 . PHE A 1 155 ? -24.479 -36.592 -18.800 1.00 45.08 ? 176 PHE A CD2 1 +ATOM 1187 C CE1 . PHE A 1 155 ? -22.483 -38.449 -18.234 1.00 45.05 ? 176 PHE A CE1 1 +ATOM 1188 C CE2 . PHE A 1 155 ? -23.898 -37.313 -19.836 1.00 46.99 ? 176 PHE A CE2 1 +ATOM 1189 C CZ . PHE A 1 155 ? -22.894 -38.244 -19.553 1.00 46.63 ? 176 PHE A CZ 1 +ATOM 1190 N N . GLY A 1 156 ? -26.772 -35.587 -13.885 1.00 38.23 ? 177 GLY A N 1 +ATOM 1191 C CA . GLY A 1 156 ? -27.177 -34.870 -12.678 1.00 38.70 ? 177 GLY A CA 1 +ATOM 1192 C C . GLY A 1 156 ? -26.841 -35.746 -11.465 1.00 38.28 ? 177 GLY A C 1 +ATOM 1193 O O . GLY A 1 156 ? -26.121 -35.323 -10.552 1.00 37.89 ? 177 GLY A O 1 +ATOM 1194 N N . ALA A 1 157 ? -27.325 -36.993 -11.471 1.00 40.13 ? 178 ALA A N 1 +ATOM 1195 C CA . ALA A 1 157 ? -27.074 -37.925 -10.361 1.00 38.38 ? 178 ALA A CA 1 +ATOM 1196 C C . ALA A 1 157 ? -25.591 -38.170 -10.143 1.00 39.28 ? 178 ALA A C 1 +ATOM 1197 O O . ALA A 1 157 ? -25.110 -38.164 -8.998 1.00 36.89 ? 178 ALA A O 1 +ATOM 1198 C CB . ALA A 1 157 ? -27.751 -39.238 -10.620 1.00 40.34 ? 178 ALA A CB 1 +ATOM 1199 N N . TYR A 1 158 ? -24.868 -38.398 -11.246 1.00 37.29 ? 179 TYR A N 1 +ATOM 1200 C CA . TYR A 1 158 ? -23.444 -38.643 -11.156 1.00 37.22 ? 179 TYR A CA 1 +ATOM 1201 C C . TYR A 1 158 ? -22.772 -37.442 -10.515 1.00 37.22 ? 179 TYR A C 1 +ATOM 1202 O O . TYR A 1 158 ? -21.939 -37.585 -9.615 1.00 37.62 ? 179 TYR A O 1 +ATOM 1203 C CB . TYR A 1 158 ? -22.832 -38.878 -12.546 1.00 37.99 ? 179 TYR A CB 1 +ATOM 1204 C CG . TYR A 1 158 ? -21.320 -38.851 -12.499 1.00 36.56 ? 179 TYR A CG 1 +ATOM 1205 C CD1 . TYR A 1 158 ? -20.594 -39.945 -12.014 1.00 38.41 ? 179 TYR A CD1 1 +ATOM 1206 C CD2 . TYR A 1 158 ? -20.619 -37.706 -12.866 1.00 35.60 ? 179 TYR A CD2 1 +ATOM 1207 C CE1 . TYR A 1 158 ? -19.191 -39.890 -11.889 1.00 38.59 ? 179 TYR A CE1 1 +ATOM 1208 C CE2 . TYR A 1 158 ? -19.230 -37.639 -12.752 1.00 38.51 ? 179 TYR A CE2 1 +ATOM 1209 C CZ . TYR A 1 158 ? -18.526 -38.726 -12.267 1.00 38.01 ? 179 TYR A CZ 1 +ATOM 1210 O OH . TYR A 1 158 ? -17.171 -38.641 -12.169 1.00 37.29 ? 179 TYR A OH 1 +ATOM 1211 N N . SER A 1 159 ? -23.125 -36.251 -11.006 1.00 37.65 ? 180 SER A N 1 +ATOM 1212 C CA . SER A 1 159 ? -22.575 -35.016 -10.474 1.00 36.89 ? 180 SER A CA 1 +ATOM 1213 C C . SER A 1 159 ? -22.890 -34.927 -8.980 1.00 36.61 ? 180 SER A C 1 +ATOM 1214 O O . SER A 1 159 ? -22.036 -34.612 -8.161 1.00 34.28 ? 180 SER A O 1 +ATOM 1215 C CB . SER A 1 159 ? -23.181 -33.819 -11.199 1.00 35.54 ? 180 SER A CB 1 +ATOM 1216 O OG . SER A 1 159 ? -22.574 -32.643 -10.719 1.00 38.50 ? 180 SER A OG 1 +ATOM 1217 N N . MET A 1 160 ? -24.133 -35.213 -8.645 1.00 39.38 ? 181 MET A N 1 +ATOM 1218 C CA . MET A 1 160 ? -24.566 -35.181 -7.242 1.00 44.36 ? 181 MET A CA 1 +ATOM 1219 C C . MET A 1 160 ? -23.706 -36.134 -6.405 1.00 45.81 ? 181 MET A C 1 +ATOM 1220 O O . MET A 1 160 ? -23.080 -35.718 -5.419 1.00 46.49 ? 181 MET A O 1 +ATOM 1221 C CB . MET A 1 160 ? -26.020 -35.621 -7.153 1.00 45.69 ? 181 MET A CB 1 +ATOM 1222 C CG . MET A 1 160 ? -26.560 -35.729 -5.737 1.00 48.23 ? 181 MET A CG 1 +ATOM 1223 S SD . MET A 1 160 ? -27.048 -34.130 -5.129 1.00 53.51 ? 181 MET A SD 1 +ATOM 1224 C CE . MET A 1 160 ? -25.422 -33.519 -4.434 1.00 47.90 ? 181 MET A CE 1 +ATOM 1225 N N . ASP A 1 161 ? -23.666 -37.407 -6.817 1.00 46.96 ? 182 ASP A N 1 +ATOM 1226 C CA . ASP A 1 161 ? -22.893 -38.434 -6.105 1.00 48.25 ? 182 ASP A CA 1 +ATOM 1227 C C . ASP A 1 161 ? -21.455 -38.032 -5.836 1.00 49.73 ? 182 ASP A C 1 +ATOM 1228 O O . ASP A 1 161 ? -20.919 -38.286 -4.744 1.00 50.34 ? 182 ASP A O 1 +ATOM 1229 C CB . ASP A 1 161 ? -22.873 -39.740 -6.888 1.00 51.06 ? 182 ASP A CB 1 +ATOM 1230 C CG . ASP A 1 161 ? -24.228 -40.365 -6.999 1.00 52.57 ? 182 ASP A CG 1 +ATOM 1231 O OD1 . ASP A 1 161 ? -24.346 -41.432 -7.635 1.00 54.01 ? 182 ASP A OD1 1 +ATOM 1232 O OD2 . ASP A 1 161 ? -25.178 -39.788 -6.445 1.00 54.64 ? 182 ASP A OD2 1 +ATOM 1233 N N . VAL A 1 162 ? -20.808 -37.422 -6.825 1.00 48.33 ? 183 VAL A N 1 +ATOM 1234 C CA . VAL A 1 162 ? -19.425 -37.024 -6.622 1.00 47.68 ? 183 VAL A CA 1 +ATOM 1235 C C . VAL A 1 162 ? -19.347 -35.913 -5.576 1.00 48.16 ? 183 VAL A C 1 +ATOM 1236 O O . VAL A 1 162 ? -18.417 -35.856 -4.755 1.00 48.08 ? 183 VAL A O 1 +ATOM 1237 C CB . VAL A 1 162 ? -18.788 -36.532 -7.928 1.00 47.29 ? 183 VAL A CB 1 +ATOM 1238 C CG1 . VAL A 1 162 ? -17.351 -36.115 -7.680 1.00 46.40 ? 183 VAL A CG1 1 +ATOM 1239 C CG2 . VAL A 1 162 ? -18.865 -37.627 -8.984 1.00 49.19 ? 183 VAL A CG2 1 +ATOM 1240 N N . ILE A 1 163 ? -20.336 -35.031 -5.596 1.00 48.19 ? 184 ILE A N 1 +ATOM 1241 C CA . ILE A 1 163 ? -20.336 -33.920 -4.661 1.00 48.91 ? 184 ILE A CA 1 +ATOM 1242 C C . ILE A 1 163 ? -20.428 -34.379 -3.201 1.00 49.73 ? 184 ILE A C 1 +ATOM 1243 O O . ILE A 1 163 ? -19.520 -34.124 -2.399 1.00 49.97 ? 184 ILE A O 1 +ATOM 1244 C CB . ILE A 1 163 ? -21.466 -32.958 -5.006 1.00 48.51 ? 184 ILE A CB 1 +ATOM 1245 C CG1 . ILE A 1 163 ? -21.151 -32.287 -6.340 1.00 49.20 ? 184 ILE A CG1 1 +ATOM 1246 C CG2 . ILE A 1 163 ? -21.619 -31.902 -3.915 1.00 47.59 ? 184 ILE A CG2 1 +ATOM 1247 C CD1 . ILE A 1 163 ? -22.303 -31.492 -6.874 1.00 50.75 ? 184 ILE A CD1 1 +ATOM 1248 N N . THR A 1 164 ? -21.516 -35.056 -2.865 1.00 49.60 ? 185 THR A N 1 +ATOM 1249 C CA . THR A 1 164 ? -21.710 -35.545 -1.509 1.00 53.56 ? 185 THR A CA 1 +ATOM 1250 C C . THR A 1 164 ? -20.477 -36.302 -1.026 1.00 55.57 ? 185 THR A C 1 +ATOM 1251 O O . THR A 1 164 ? -19.879 -35.966 0.004 1.00 56.71 ? 185 THR A O 1 +ATOM 1252 C CB . THR A 1 164 ? -22.914 -36.469 -1.448 1.00 53.16 ? 185 THR A CB 1 +ATOM 1253 O OG1 . THR A 1 164 ? -22.710 -37.573 -2.341 1.00 54.50 ? 185 THR A OG1 1 +ATOM 1254 C CG2 . THR A 1 164 ? -24.179 -35.706 -1.861 1.00 53.94 ? 185 THR A CG2 1 +ATOM 1255 N N . SER A 1 165 ? -20.099 -37.316 -1.797 1.00 57.89 ? 186 SER A N 1 +ATOM 1256 C CA . SER A 1 165 ? -18.944 -38.165 -1.520 1.00 59.34 ? 186 SER A CA 1 +ATOM 1257 C C . SER A 1 165 ? -17.645 -37.403 -1.276 1.00 60.74 ? 186 SER A C 1 +ATOM 1258 O O . SER A 1 165 ? -16.884 -37.757 -0.381 1.00 61.98 ? 186 SER A O 1 +ATOM 1259 C CB . SER A 1 165 ? -18.749 -39.130 -2.687 1.00 59.70 ? 186 SER A CB 1 +ATOM 1260 O OG . SER A 1 165 ? -19.994 -39.701 -3.053 1.00 59.52 ? 186 SER A OG 1 +ATOM 1261 N N . THR A 1 166 ? -17.386 -36.366 -2.069 1.00 62.04 ? 187 THR A N 1 +ATOM 1262 C CA . THR A 1 166 ? -16.164 -35.585 -1.918 1.00 62.75 ? 187 THR A CA 1 +ATOM 1263 C C . THR A 1 166 ? -16.185 -34.514 -0.822 1.00 64.39 ? 187 THR A C 1 +ATOM 1264 O O . THR A 1 166 ? -15.355 -33.614 -0.801 1.00 63.66 ? 187 THR A O 1 +ATOM 1265 C CB . THR A 1 166 ? -15.740 -34.957 -3.256 1.00 62.34 ? 187 THR A CB 1 +ATOM 1266 O OG1 . THR A 1 166 ? -16.777 -34.094 -3.743 1.00 59.81 ? 187 THR A OG1 1 +ATOM 1267 C CG2 . THR A 1 166 ? -15.457 -36.053 -4.273 1.00 61.53 ? 187 THR A CG2 1 +ATOM 1268 N N . SER A 1 167 ? -17.139 -34.633 0.095 1.00 68.30 ? 188 SER A N 1 +ATOM 1269 C CA . SER A 1 167 ? -17.251 -33.750 1.267 1.00 70.42 ? 188 SER A CA 1 +ATOM 1270 C C . SER A 1 167 ? -17.958 -34.591 2.336 1.00 71.91 ? 188 SER A C 1 +ATOM 1271 O O . SER A 1 167 ? -19.131 -34.382 2.672 1.00 72.18 ? 188 SER A O 1 +ATOM 1272 C CB . SER A 1 167 ? -18.048 -32.483 0.957 1.00 71.82 ? 188 SER A CB 1 +ATOM 1273 O OG . SER A 1 167 ? -18.018 -31.591 2.067 1.00 72.82 ? 188 SER A OG 1 +ATOM 1274 N N . PHE A 1 168 ? -17.200 -35.562 2.840 1.00 73.06 ? 189 PHE A N 1 +ATOM 1275 C CA . PHE A 1 168 ? -17.617 -36.534 3.842 1.00 73.18 ? 189 PHE A CA 1 +ATOM 1276 C C . PHE A 1 168 ? -18.431 -37.642 3.210 1.00 73.08 ? 189 PHE A C 1 +ATOM 1277 O O . PHE A 1 168 ? -19.359 -37.407 2.436 1.00 71.98 ? 189 PHE A O 1 +ATOM 1278 C CB . PHE A 1 168 ? -18.386 -35.891 5.005 1.00 74.48 ? 189 PHE A CB 1 +ATOM 1279 C CG . PHE A 1 168 ? -17.643 -35.946 6.334 1.00 75.07 ? 189 PHE A CG 1 +ATOM 1280 C CD1 . PHE A 1 168 ? -16.454 -35.229 6.520 1.00 74.36 ? 189 PHE A CD1 1 +ATOM 1281 C CD2 . PHE A 1 168 ? -18.148 -36.687 7.405 1.00 75.24 ? 189 PHE A CD2 1 +ATOM 1282 C CE1 . PHE A 1 168 ? -15.788 -35.245 7.744 1.00 74.02 ? 189 PHE A CE1 1 +ATOM 1283 C CE2 . PHE A 1 168 ? -17.480 -36.708 8.639 1.00 74.69 ? 189 PHE A CE2 1 +ATOM 1284 C CZ . PHE A 1 168 ? -16.303 -35.985 8.806 1.00 74.44 ? 189 PHE A CZ 1 +ATOM 1285 N N . GLY A 1 169 ? -18.036 -38.858 3.563 1.00 73.35 ? 190 GLY A N 1 +ATOM 1286 C CA . GLY A 1 169 ? -18.652 -40.064 3.056 1.00 73.15 ? 190 GLY A CA 1 +ATOM 1287 C C . GLY A 1 169 ? -20.154 -40.163 2.912 1.00 72.69 ? 190 GLY A C 1 +ATOM 1288 O O . GLY A 1 169 ? -20.718 -41.219 3.194 1.00 73.28 ? 190 GLY A O 1 +ATOM 1289 N N . VAL A 1 170 ? -20.833 -39.099 2.513 1.00 71.45 ? 191 VAL A N 1 +ATOM 1290 C CA . VAL A 1 170 ? -22.257 -39.270 2.325 1.00 70.77 ? 191 VAL A CA 1 +ATOM 1291 C C . VAL A 1 170 ? -22.282 -39.989 0.994 1.00 70.51 ? 191 VAL A C 1 +ATOM 1292 O O . VAL A 1 170 ? -22.332 -39.360 -0.066 1.00 71.67 ? 191 VAL A O 1 +ATOM 1293 C CB . VAL A 1 170 ? -23.018 -37.954 2.199 1.00 70.42 ? 191 VAL A CB 1 +ATOM 1294 C CG1 . VAL A 1 170 ? -24.456 -38.238 1.755 1.00 69.23 ? 191 VAL A CG1 1 +ATOM 1295 C CG2 . VAL A 1 170 ? -23.014 -37.230 3.529 1.00 70.28 ? 191 VAL A CG2 1 +ATOM 1296 N N . ASN A 1 171 ? -22.205 -41.312 1.043 1.00 68.72 ? 192 ASN A N 1 +ATOM 1297 C CA . ASN A 1 171 ? -22.197 -42.089 -0.180 1.00 67.70 ? 192 ASN A CA 1 +ATOM 1298 C C . ASN A 1 171 ? -23.575 -42.625 -0.527 1.00 66.31 ? 192 ASN A C 1 +ATOM 1299 O O . ASN A 1 171 ? -24.050 -43.605 0.034 1.00 66.47 ? 192 ASN A O 1 +ATOM 1300 C CB . ASN A 1 171 ? -21.149 -43.192 -0.058 1.00 68.08 ? 192 ASN A CB 1 +ATOM 1301 C CG . ASN A 1 171 ? -19.723 -42.641 -0.144 1.00 69.68 ? 192 ASN A CG 1 +ATOM 1302 O OD1 . ASN A 1 171 ? -19.278 -42.191 -1.207 1.00 69.62 ? 192 ASN A OD1 1 +ATOM 1303 N ND2 . ASN A 1 171 ? -19.008 -42.662 0.980 1.00 69.67 ? 192 ASN A ND2 1 +ATOM 1304 N N . ILE A 1 172 ? -24.216 -41.951 -1.469 1.00 64.82 ? 193 ILE A N 1 +ATOM 1305 C CA . ILE A 1 172 ? -25.559 -42.322 -1.890 1.00 63.37 ? 193 ILE A CA 1 +ATOM 1306 C C . ILE A 1 172 ? -25.642 -42.522 -3.383 1.00 61.44 ? 193 ILE A C 1 +ATOM 1307 O O . ILE A 1 172 ? -24.932 -41.874 -4.142 1.00 60.90 ? 193 ILE A O 1 +ATOM 1308 C CB . ILE A 1 172 ? -26.578 -41.216 -1.528 1.00 63.57 ? 193 ILE A CB 1 +ATOM 1309 C CG1 . ILE A 1 172 ? -26.574 -40.978 -0.015 1.00 63.60 ? 193 ILE A CG1 1 +ATOM 1310 C CG2 . ILE A 1 172 ? -27.967 -41.593 -2.032 1.00 62.40 ? 193 ILE A CG2 1 +ATOM 1311 C CD1 . ILE A 1 172 ? -27.531 -39.903 0.426 1.00 63.81 ? 193 ILE A CD1 1 +ATOM 1312 N N . ASP A 1 173 ? -26.528 -43.421 -3.786 1.00 60.69 ? 194 ASP A N 1 +ATOM 1313 C CA . ASP A 1 173 ? -26.774 -43.695 -5.187 1.00 60.25 ? 194 ASP A CA 1 +ATOM 1314 C C . ASP A 1 173 ? -27.878 -42.702 -5.534 1.00 59.68 ? 194 ASP A C 1 +ATOM 1315 O O . ASP A 1 173 ? -29.000 -43.092 -5.864 1.00 60.62 ? 194 ASP A O 1 +ATOM 1316 C CB . ASP A 1 173 ? -27.282 -45.127 -5.364 1.00 60.84 ? 194 ASP A CB 1 +ATOM 1317 C CG . ASP A 1 173 ? -27.475 -45.507 -6.821 1.00 62.09 ? 194 ASP A CG 1 +ATOM 1318 O OD1 . ASP A 1 173 ? -27.929 -44.654 -7.614 1.00 60.46 ? 194 ASP A OD1 1 +ATOM 1319 O OD2 . ASP A 1 173 ? -27.186 -46.672 -7.171 1.00 63.70 ? 194 ASP A OD2 1 +ATOM 1320 N N . SER A 1 174 ? -27.548 -41.416 -5.450 1.00 58.21 ? 195 SER A N 1 +ATOM 1321 C CA . SER A 1 174 ? -28.504 -40.337 -5.706 1.00 57.02 ? 195 SER A CA 1 +ATOM 1322 C C . SER A 1 174 ? -29.609 -40.628 -6.706 1.00 56.40 ? 195 SER A C 1 +ATOM 1323 O O . SER A 1 174 ? -30.759 -40.229 -6.509 1.00 56.02 ? 195 SER A O 1 +ATOM 1324 C CB . SER A 1 174 ? -27.763 -39.066 -6.137 1.00 58.82 ? 195 SER A CB 1 +ATOM 1325 O OG . SER A 1 174 ? -26.966 -38.560 -5.071 1.00 58.11 ? 195 SER A OG 1 +ATOM 1326 N N . LEU A 1 175 ? -29.270 -41.326 -7.779 1.00 56.47 ? 196 LEU A N 1 +ATOM 1327 C CA . LEU A 1 175 ? -30.250 -41.639 -8.808 1.00 56.56 ? 196 LEU A CA 1 +ATOM 1328 C C . LEU A 1 175 ? -31.394 -42.562 -8.352 1.00 57.28 ? 196 LEU A C 1 +ATOM 1329 O O . LEU A 1 175 ? -32.529 -42.462 -8.840 1.00 56.03 ? 196 LEU A O 1 +ATOM 1330 C CB . LEU A 1 175 ? -29.533 -42.258 -10.017 1.00 56.11 ? 196 LEU A CB 1 +ATOM 1331 C CG . LEU A 1 175 ? -30.415 -42.649 -11.211 1.00 55.90 ? 196 LEU A CG 1 +ATOM 1332 C CD1 . LEU A 1 175 ? -31.090 -41.417 -11.786 1.00 55.26 ? 196 LEU A CD1 1 +ATOM 1333 C CD2 . LEU A 1 175 ? -29.569 -43.335 -12.266 1.00 55.71 ? 196 LEU A CD2 1 +ATOM 1334 N N . ASN A 1 176 ? -31.109 -43.461 -7.419 1.00 58.13 ? 197 ASN A N 1 +ATOM 1335 C CA . ASN A 1 176 ? -32.140 -44.391 -6.976 1.00 60.19 ? 197 ASN A CA 1 +ATOM 1336 C C . ASN A 1 176 ? -32.664 -44.086 -5.569 1.00 61.37 ? 197 ASN A C 1 +ATOM 1337 O O . ASN A 1 176 ? -33.425 -44.863 -4.991 1.00 61.55 ? 197 ASN A O 1 +ATOM 1338 C CB . ASN A 1 176 ? -31.613 -45.833 -7.054 1.00 59.80 ? 197 ASN A CB 1 +ATOM 1339 C CG . ASN A 1 176 ? -31.257 -46.253 -8.472 1.00 58.96 ? 197 ASN A CG 1 +ATOM 1340 O OD1 . ASN A 1 176 ? -32.106 -46.249 -9.373 1.00 59.20 ? 197 ASN A OD1 1 +ATOM 1341 N ND2 . ASN A 1 176 ? -29.996 -46.618 -8.677 1.00 57.59 ? 197 ASN A ND2 1 +ATOM 1342 N N . ASN A 1 177 ? -32.250 -42.943 -5.036 1.00 61.99 ? 198 ASN A N 1 +ATOM 1343 C CA . ASN A 1 177 ? -32.667 -42.474 -3.719 1.00 62.35 ? 198 ASN A CA 1 +ATOM 1344 C C . ASN A 1 177 ? -33.159 -41.050 -3.940 1.00 62.07 ? 198 ASN A C 1 +ATOM 1345 O O . ASN A 1 177 ? -32.731 -40.132 -3.252 1.00 61.75 ? 198 ASN A O 1 +ATOM 1346 C CB . ASN A 1 177 ? -31.471 -42.460 -2.763 1.00 62.60 ? 198 ASN A CB 1 +ATOM 1347 C CG . ASN A 1 177 ? -30.876 -43.842 -2.549 1.00 64.44 ? 198 ASN A CG 1 +ATOM 1348 O OD1 . ASN A 1 177 ? -30.501 -44.528 -3.501 1.00 65.08 ? 198 ASN A OD1 1 +ATOM 1349 N ND2 . ASN A 1 177 ? -30.785 -44.257 -1.289 1.00 64.93 ? 198 ASN A ND2 1 +ATOM 1350 N N . PRO A 1 178 ? -34.076 -40.855 -4.907 1.00 63.19 ? 199 PRO A N 1 +ATOM 1351 C CA . PRO A 1 178 ? -34.645 -39.549 -5.259 1.00 64.02 ? 199 PRO A CA 1 +ATOM 1352 C C . PRO A 1 178 ? -35.210 -38.820 -4.067 1.00 65.08 ? 199 PRO A C 1 +ATOM 1353 O O . PRO A 1 178 ? -35.355 -37.595 -4.084 1.00 65.55 ? 199 PRO A O 1 +ATOM 1354 C CB . PRO A 1 178 ? -35.760 -39.897 -6.245 1.00 63.42 ? 199 PRO A CB 1 +ATOM 1355 C CG . PRO A 1 178 ? -35.369 -41.211 -6.779 1.00 63.83 ? 199 PRO A CG 1 +ATOM 1356 C CD . PRO A 1 178 ? -34.841 -41.923 -5.571 1.00 63.40 ? 199 PRO A CD 1 +ATOM 1357 N N . GLN A 1 179 ? -35.542 -39.577 -3.031 1.00 66.05 ? 200 GLN A N 1 +ATOM 1358 C CA . GLN A 1 179 ? -36.144 -38.972 -1.867 1.00 67.20 ? 200 GLN A CA 1 +ATOM 1359 C C . GLN A 1 179 ? -35.294 -38.901 -0.628 1.00 67.10 ? 200 GLN A C 1 +ATOM 1360 O O . GLN A 1 179 ? -35.779 -38.460 0.407 1.00 66.96 ? 200 GLN A O 1 +ATOM 1361 C CB . GLN A 1 179 ? -37.487 -39.643 -1.551 1.00 67.51 ? 200 GLN A CB 1 +ATOM 1362 C CG . GLN A 1 179 ? -38.607 -39.252 -2.520 1.00 68.28 ? 200 GLN A CG 1 +ATOM 1363 C CD . GLN A 1 179 ? -38.578 -37.764 -2.902 1.00 69.47 ? 200 GLN A CD 1 +ATOM 1364 O OE1 . GLN A 1 179 ? -38.202 -36.906 -2.095 1.00 68.90 ? 200 GLN A OE1 1 +ATOM 1365 N NE2 . GLN A 1 179 ? -38.987 -37.459 -4.135 1.00 69.18 ? 200 GLN A NE2 1 +ATOM 1366 N N . ASP A 1 180 ? -34.041 -39.333 -0.706 1.00 67.03 ? 201 ASP A N 1 +ATOM 1367 C CA . ASP A 1 180 ? -33.193 -39.218 0.469 1.00 67.80 ? 201 ASP A CA 1 +ATOM 1368 C C . ASP A 1 180 ? -33.091 -37.715 0.740 1.00 69.15 ? 201 ASP A C 1 +ATOM 1369 O O . ASP A 1 180 ? -32.419 -36.991 0.007 1.00 68.67 ? 201 ASP A O 1 +ATOM 1370 C CB . ASP A 1 180 ? -31.804 -39.773 0.201 1.00 67.05 ? 201 ASP A CB 1 +ATOM 1371 C CG . ASP A 1 180 ? -30.835 -39.464 1.327 1.00 66.99 ? 201 ASP A CG 1 +ATOM 1372 O OD1 . ASP A 1 180 ? -30.763 -38.284 1.740 1.00 66.30 ? 201 ASP A OD1 1 +ATOM 1373 O OD2 . ASP A 1 180 ? -30.140 -40.396 1.793 1.00 67.54 ? 201 ASP A OD2 1 +ATOM 1374 N N . PRO A 1 181 ? -33.756 -37.225 1.801 1.00 70.40 ? 202 PRO A N 1 +ATOM 1375 C CA . PRO A 1 181 ? -33.733 -35.796 2.148 1.00 70.08 ? 202 PRO A CA 1 +ATOM 1376 C C . PRO A 1 181 ? -32.402 -35.050 1.964 1.00 69.16 ? 202 PRO A C 1 +ATOM 1377 O O . PRO A 1 181 ? -32.385 -33.946 1.420 1.00 68.71 ? 202 PRO A O 1 +ATOM 1378 C CB . PRO A 1 181 ? -34.220 -35.792 3.596 1.00 70.29 ? 202 PRO A CB 1 +ATOM 1379 C CG . PRO A 1 181 ? -35.248 -36.888 3.571 1.00 70.64 ? 202 PRO A CG 1 +ATOM 1380 C CD . PRO A 1 181 ? -34.508 -37.990 2.815 1.00 70.73 ? 202 PRO A CD 1 +ATOM 1381 N N . PHE A 1 182 ? -31.296 -35.643 2.408 1.00 68.07 ? 203 PHE A N 1 +ATOM 1382 C CA . PHE A 1 182 ? -29.996 -34.990 2.277 1.00 67.27 ? 203 PHE A CA 1 +ATOM 1383 C C . PHE A 1 182 ? -29.644 -34.669 0.826 1.00 67.45 ? 203 PHE A C 1 +ATOM 1384 O O . PHE A 1 182 ? -28.936 -33.698 0.543 1.00 67.15 ? 203 PHE A O 1 +ATOM 1385 C CB . PHE A 1 182 ? -28.893 -35.861 2.866 1.00 66.77 ? 203 PHE A CB 1 +ATOM 1386 C CG . PHE A 1 182 ? -27.543 -35.250 2.755 1.00 66.00 ? 203 PHE A CG 1 +ATOM 1387 C CD1 . PHE A 1 182 ? -27.150 -34.245 3.626 1.00 66.56 ? 203 PHE A CD1 1 +ATOM 1388 C CD2 . PHE A 1 182 ? -26.678 -35.633 1.740 1.00 66.87 ? 203 PHE A CD2 1 +ATOM 1389 C CE1 . PHE A 1 182 ? -25.913 -33.624 3.490 1.00 66.11 ? 203 PHE A CE1 1 +ATOM 1390 C CE2 . PHE A 1 182 ? -25.437 -35.018 1.594 1.00 66.45 ? 203 PHE A CE2 1 +ATOM 1391 C CZ . PHE A 1 182 ? -25.055 -34.011 2.471 1.00 66.23 ? 203 PHE A CZ 1 +ATOM 1392 N N . VAL A 1 183 ? -30.135 -35.501 -0.087 1.00 66.86 ? 204 VAL A N 1 +ATOM 1393 C CA . VAL A 1 183 ? -29.883 -35.322 -1.504 1.00 66.16 ? 204 VAL A CA 1 +ATOM 1394 C C . VAL A 1 183 ? -31.007 -34.481 -2.074 1.00 66.09 ? 204 VAL A C 1 +ATOM 1395 O O . VAL A 1 183 ? -30.828 -33.745 -3.048 1.00 65.35 ? 204 VAL A O 1 +ATOM 1396 C CB . VAL A 1 183 ? -29.826 -36.701 -2.247 1.00 66.61 ? 204 VAL A CB 1 +ATOM 1397 C CG1 . VAL A 1 183 ? -31.181 -37.053 -2.873 1.00 66.36 ? 204 VAL A CG1 1 +ATOM 1398 C CG2 . VAL A 1 183 ? -28.743 -36.669 -3.304 1.00 67.31 ? 204 VAL A CG2 1 +ATOM 1399 N N . GLU A 1 184 ? -32.176 -34.590 -1.454 1.00 65.84 ? 205 GLU A N 1 +ATOM 1400 C CA . GLU A 1 184 ? -33.323 -33.838 -1.923 1.00 65.52 ? 205 GLU A CA 1 +ATOM 1401 C C . GLU A 1 184 ? -33.131 -32.361 -1.604 1.00 63.75 ? 205 GLU A C 1 +ATOM 1402 O O . GLU A 1 184 ? -33.833 -31.494 -2.137 1.00 62.75 ? 205 GLU A O 1 +ATOM 1403 C CB . GLU A 1 184 ? -34.618 -34.367 -1.297 1.00 67.57 ? 205 GLU A CB 1 +ATOM 1404 C CG . GLU A 1 184 ? -35.834 -33.997 -2.121 1.00 70.99 ? 205 GLU A CG 1 +ATOM 1405 C CD . GLU A 1 184 ? -35.441 -33.654 -3.555 1.00 73.70 ? 205 GLU A CD 1 +ATOM 1406 O OE1 . GLU A 1 184 ? -35.206 -32.454 -3.841 1.00 74.31 ? 205 GLU A OE1 1 +ATOM 1407 O OE2 . GLU A 1 184 ? -35.337 -34.585 -4.388 1.00 75.31 ? 205 GLU A OE2 1 +ATOM 1408 N N . ASN A 1 185 ? -32.171 -32.076 -0.733 1.00 61.42 ? 206 ASN A N 1 +ATOM 1409 C CA . ASN A 1 185 ? -31.888 -30.699 -0.390 1.00 59.46 ? 206 ASN A CA 1 +ATOM 1410 C C . ASN A 1 185 ? -30.741 -30.182 -1.268 1.00 57.58 ? 206 ASN A C 1 +ATOM 1411 O O . ASN A 1 185 ? -30.928 -29.190 -1.986 1.00 56.50 ? 206 ASN A O 1 +ATOM 1412 C CB . ASN A 1 185 ? -31.567 -30.565 1.103 1.00 60.65 ? 206 ASN A CB 1 +ATOM 1413 C CG . ASN A 1 185 ? -32.835 -30.585 1.986 1.00 61.34 ? 206 ASN A CG 1 +ATOM 1414 O OD1 . ASN A 1 185 ? -33.698 -29.701 1.890 1.00 60.75 ? 206 ASN A OD1 1 +ATOM 1415 N ND2 . ASN A 1 185 ? -32.943 -31.596 2.840 1.00 59.42 ? 206 ASN A ND2 1 +ATOM 1416 N N . THR A 1 186 ? -29.586 -30.862 -1.243 1.00 54.45 ? 207 THR A N 1 +ATOM 1417 C CA . THR A 1 186 ? -28.428 -30.445 -2.053 1.00 51.89 ? 207 THR A CA 1 +ATOM 1418 C C . THR A 1 186 ? -28.808 -30.300 -3.533 1.00 49.59 ? 207 THR A C 1 +ATOM 1419 O O . THR A 1 186 ? -28.232 -29.492 -4.259 1.00 46.56 ? 207 THR A O 1 +ATOM 1420 C CB . THR A 1 186 ? -27.239 -31.441 -1.950 1.00 52.13 ? 207 THR A CB 1 +ATOM 1421 O OG1 . THR A 1 186 ? -27.584 -32.666 -2.602 1.00 51.06 ? 207 THR A OG1 1 +ATOM 1422 C CG2 . THR A 1 186 ? -26.899 -31.730 -0.494 1.00 50.88 ? 207 THR A CG2 1 +ATOM 1423 N N . LYS A 1 187 ? -29.796 -31.077 -3.953 1.00 47.33 ? 208 LYS A N 1 +ATOM 1424 C CA . LYS A 1 187 ? -30.294 -31.061 -5.311 1.00 46.90 ? 208 LYS A CA 1 +ATOM 1425 C C . LYS A 1 187 ? -30.800 -29.682 -5.700 1.00 46.61 ? 208 LYS A C 1 +ATOM 1426 O O . LYS A 1 187 ? -30.661 -29.269 -6.836 1.00 47.00 ? 208 LYS A O 1 +ATOM 1427 C CB . LYS A 1 187 ? -31.457 -32.034 -5.435 1.00 48.61 ? 208 LYS A CB 1 +ATOM 1428 C CG . LYS A 1 187 ? -31.936 -32.244 -6.844 1.00 51.94 ? 208 LYS A CG 1 +ATOM 1429 C CD . LYS A 1 187 ? -31.106 -33.338 -7.511 1.00 55.47 ? 208 LYS A CD 1 +ATOM 1430 C CE . LYS A 1 187 ? -31.594 -34.733 -7.143 1.00 55.88 ? 208 LYS A CE 1 +ATOM 1431 N NZ . LYS A 1 187 ? -32.808 -35.114 -7.929 1.00 56.19 ? 208 LYS A NZ 1 +ATOM 1432 N N . LYS A 1 188 ? -31.410 -28.982 -4.751 1.00 46.02 ? 209 LYS A N 1 +ATOM 1433 C CA . LYS A 1 188 ? -31.985 -27.660 -5.003 1.00 45.15 ? 209 LYS A CA 1 +ATOM 1434 C C . LYS A 1 188 ? -30.972 -26.550 -5.245 1.00 43.26 ? 209 LYS A C 1 +ATOM 1435 O O . LYS A 1 188 ? -31.354 -25.446 -5.611 1.00 44.62 ? 209 LYS A O 1 +ATOM 1436 C CB . LYS A 1 188 ? -32.902 -27.252 -3.843 1.00 46.71 ? 209 LYS A CB 1 +ATOM 1437 C CG . LYS A 1 188 ? -33.892 -28.336 -3.390 1.00 46.64 ? 209 LYS A CG 1 +ATOM 1438 C CD . LYS A 1 188 ? -34.845 -27.767 -2.340 1.00 49.37 ? 209 LYS A CD 1 +ATOM 1439 C CE . LYS A 1 188 ? -35.627 -28.849 -1.586 1.00 50.41 ? 209 LYS A CE 1 +ATOM 1440 N NZ . LYS A 1 188 ? -36.511 -28.254 -0.514 1.00 50.53 ? 209 LYS A NZ 1 +ATOM 1441 N N . LEU A 1 189 ? -29.690 -26.840 -5.036 1.00 43.00 ? 210 LEU A N 1 +ATOM 1442 C CA . LEU A 1 189 ? -28.618 -25.873 -5.246 1.00 41.94 ? 210 LEU A CA 1 +ATOM 1443 C C . LEU A 1 189 ? -28.278 -25.688 -6.736 1.00 40.88 ? 210 LEU A C 1 +ATOM 1444 O O . LEU A 1 189 ? -27.167 -25.976 -7.191 1.00 37.68 ? 210 LEU A O 1 +ATOM 1445 C CB . LEU A 1 189 ? -27.375 -26.307 -4.461 1.00 42.71 ? 210 LEU A CB 1 +ATOM 1446 C CG . LEU A 1 189 ? -27.509 -26.165 -2.950 1.00 43.16 ? 210 LEU A CG 1 +ATOM 1447 C CD1 . LEU A 1 189 ? -26.360 -26.839 -2.229 1.00 41.86 ? 210 LEU A CD1 1 +ATOM 1448 C CD2 . LEU A 1 189 ? -27.565 -24.685 -2.610 1.00 42.69 ? 210 LEU A CD2 1 +ATOM 1449 N N . LEU A 1 190 ? -29.255 -25.198 -7.483 1.00 40.49 ? 211 LEU A N 1 +ATOM 1450 C CA . LEU A 1 190 ? -29.109 -24.956 -8.911 1.00 41.41 ? 211 LEU A CA 1 +ATOM 1451 C C . LEU A 1 190 ? -28.573 -23.557 -9.251 1.00 39.27 ? 211 LEU A C 1 +ATOM 1452 O O . LEU A 1 190 ? -28.798 -22.598 -8.530 1.00 37.68 ? 211 LEU A O 1 +ATOM 1453 C CB . LEU A 1 190 ? -30.459 -25.142 -9.594 1.00 42.31 ? 211 LEU A CB 1 +ATOM 1454 C CG . LEU A 1 190 ? -31.172 -26.432 -9.195 1.00 46.26 ? 211 LEU A CG 1 +ATOM 1455 C CD1 . LEU A 1 190 ? -32.488 -26.545 -9.945 1.00 46.94 ? 211 LEU A CD1 1 +ATOM 1456 C CD2 . LEU A 1 190 ? -30.265 -27.618 -9.495 1.00 45.78 ? 211 LEU A CD2 1 +ATOM 1457 N N . ARG A 1 191 ? -27.870 -23.456 -10.373 1.00 39.54 ? 212 ARG A N 1 +ATOM 1458 C CA . ARG A 1 191 ? -27.323 -22.187 -10.837 1.00 38.74 ? 212 ARG A CA 1 +ATOM 1459 C C . ARG A 1 191 ? -28.430 -21.176 -11.082 1.00 35.46 ? 212 ARG A C 1 +ATOM 1460 O O . ARG A 1 191 ? -29.499 -21.523 -11.567 1.00 37.24 ? 212 ARG A O 1 +ATOM 1461 C CB . ARG A 1 191 ? -26.535 -22.410 -12.132 1.00 40.73 ? 212 ARG A CB 1 +ATOM 1462 C CG . ARG A 1 191 ? -25.470 -23.448 -11.962 1.00 42.92 ? 212 ARG A CG 1 +ATOM 1463 C CD . ARG A 1 191 ? -24.481 -23.009 -10.921 1.00 45.88 ? 212 ARG A CD 1 +ATOM 1464 N NE . ARG A 1 191 ? -23.898 -21.725 -11.280 1.00 48.08 ? 212 ARG A NE 1 +ATOM 1465 C CZ . ARG A 1 191 ? -22.785 -21.240 -10.746 1.00 49.10 ? 212 ARG A CZ 1 +ATOM 1466 N NH1 . ARG A 1 191 ? -22.139 -21.943 -9.825 1.00 50.15 ? 212 ARG A NH1 1 +ATOM 1467 N NH2 . ARG A 1 191 ? -22.312 -20.065 -11.144 1.00 49.58 ? 212 ARG A NH2 1 +ATOM 1468 N N . PHE A 1 192 ? -28.172 -19.923 -10.735 1.00 34.26 ? 213 PHE A N 1 +ATOM 1469 C CA . PHE A 1 192 ? -29.160 -18.874 -10.920 1.00 34.13 ? 213 PHE A CA 1 +ATOM 1470 C C . PHE A 1 192 ? -29.382 -18.487 -12.377 1.00 34.29 ? 213 PHE A C 1 +ATOM 1471 O O . PHE A 1 192 ? -28.457 -18.480 -13.187 1.00 36.01 ? 213 PHE A O 1 +ATOM 1472 C CB . PHE A 1 192 ? -28.741 -17.617 -10.145 1.00 33.06 ? 213 PHE A CB 1 +ATOM 1473 C CG . PHE A 1 192 ? -28.653 -17.819 -8.674 1.00 32.89 ? 213 PHE A CG 1 +ATOM 1474 C CD1 . PHE A 1 192 ? -27.468 -17.558 -7.997 1.00 32.33 ? 213 PHE A CD1 1 +ATOM 1475 C CD2 . PHE A 1 192 ? -29.750 -18.306 -7.963 1.00 31.49 ? 213 PHE A CD2 1 +ATOM 1476 C CE1 . PHE A 1 192 ? -27.370 -17.781 -6.638 1.00 34.96 ? 213 PHE A CE1 1 +ATOM 1477 C CE2 . PHE A 1 192 ? -29.668 -18.533 -6.610 1.00 34.06 ? 213 PHE A CE2 1 +ATOM 1478 C CZ . PHE A 1 192 ? -28.470 -18.273 -5.926 1.00 33.88 ? 213 PHE A CZ 1 +ATOM 1479 N N . ASP A 1 193 ? -30.620 -18.179 -12.709 1.00 33.56 ? 214 ASP A N 1 +ATOM 1480 C CA . ASP A 1 193 ? -30.947 -17.706 -14.034 1.00 32.93 ? 214 ASP A CA 1 +ATOM 1481 C C . ASP A 1 193 ? -31.164 -16.215 -13.793 1.00 32.41 ? 214 ASP A C 1 +ATOM 1482 O O . ASP A 1 193 ? -32.233 -15.781 -13.293 1.00 28.00 ? 214 ASP A O 1 +ATOM 1483 C CB . ASP A 1 193 ? -32.223 -18.365 -14.560 1.00 34.33 ? 214 ASP A CB 1 +ATOM 1484 C CG . ASP A 1 193 ? -32.720 -17.738 -15.862 1.00 35.84 ? 214 ASP A CG 1 +ATOM 1485 O OD1 . ASP A 1 193 ? -32.085 -16.801 -16.395 1.00 35.72 ? 214 ASP A OD1 1 +ATOM 1486 O OD2 . ASP A 1 193 ? -33.773 -18.190 -16.362 1.00 40.21 ? 214 ASP A OD2 1 +ATOM 1487 N N . PHE A 1 194 ? -30.154 -15.422 -14.145 1.00 31.06 ? 215 PHE A N 1 +ATOM 1488 C CA . PHE A 1 194 ? -30.260 -13.997 -13.918 1.00 31.77 ? 215 PHE A CA 1 +ATOM 1489 C C . PHE A 1 194 ? -31.219 -13.333 -14.852 1.00 29.36 ? 215 PHE A C 1 +ATOM 1490 O O . PHE A 1 194 ? -31.388 -12.135 -14.825 1.00 29.85 ? 215 PHE A O 1 +ATOM 1491 C CB . PHE A 1 194 ? -28.889 -13.328 -13.930 1.00 31.93 ? 215 PHE A CB 1 +ATOM 1492 C CG . PHE A 1 194 ? -28.044 -13.718 -12.763 1.00 33.69 ? 215 PHE A CG 1 +ATOM 1493 C CD1 . PHE A 1 194 ? -28.357 -13.267 -11.478 1.00 35.69 ? 215 PHE A CD1 1 +ATOM 1494 C CD2 . PHE A 1 194 ? -26.992 -14.610 -12.914 1.00 37.09 ? 215 PHE A CD2 1 +ATOM 1495 C CE1 . PHE A 1 194 ? -27.632 -13.710 -10.366 1.00 35.06 ? 215 PHE A CE1 1 +ATOM 1496 C CE2 . PHE A 1 194 ? -26.262 -15.059 -11.800 1.00 35.61 ? 215 PHE A CE2 1 +ATOM 1497 C CZ . PHE A 1 194 ? -26.597 -14.598 -10.522 1.00 35.50 ? 215 PHE A CZ 1 +ATOM 1498 N N . LEU A 1 195 ? -31.882 -14.121 -15.674 1.00 29.94 ? 216 LEU A N 1 +ATOM 1499 C CA . LEU A 1 195 ? -32.862 -13.528 -16.540 1.00 29.75 ? 216 LEU A CA 1 +ATOM 1500 C C . LEU A 1 195 ? -34.280 -13.860 -16.084 1.00 30.14 ? 216 LEU A C 1 +ATOM 1501 O O . LEU A 1 195 ? -35.243 -13.499 -16.763 1.00 30.88 ? 216 LEU A O 1 +ATOM 1502 C CB . LEU A 1 195 ? -32.649 -13.955 -17.993 1.00 29.64 ? 216 LEU A CB 1 +ATOM 1503 C CG . LEU A 1 195 ? -31.462 -13.298 -18.711 1.00 28.81 ? 216 LEU A CG 1 +ATOM 1504 C CD1 . LEU A 1 195 ? -31.361 -13.855 -20.169 1.00 25.62 ? 216 LEU A CD1 1 +ATOM 1505 C CD2 . LEU A 1 195 ? -31.645 -11.773 -18.693 1.00 25.61 ? 216 LEU A CD2 1 +ATOM 1506 N N . ASP A 1 196 ? -34.424 -14.567 -14.966 1.00 30.98 ? 217 ASP A N 1 +ATOM 1507 C CA . ASP A 1 196 ? -35.787 -14.835 -14.495 1.00 33.62 ? 217 ASP A CA 1 +ATOM 1508 C C . ASP A 1 196 ? -36.372 -13.550 -13.891 1.00 34.67 ? 217 ASP A C 1 +ATOM 1509 O O . ASP A 1 196 ? -35.637 -12.619 -13.541 1.00 33.56 ? 217 ASP A O 1 +ATOM 1510 C CB . ASP A 1 196 ? -35.853 -16.027 -13.519 1.00 32.97 ? 217 ASP A CB 1 +ATOM 1511 C CG . ASP A 1 196 ? -35.182 -15.771 -12.200 1.00 34.16 ? 217 ASP A CG 1 +ATOM 1512 O OD1 . ASP A 1 196 ? -34.924 -16.774 -11.498 1.00 36.84 ? 217 ASP A OD1 1 +ATOM 1513 O OD2 . ASP A 1 196 ? -34.914 -14.600 -11.854 1.00 36.83 ? 217 ASP A OD2 1 +ATOM 1514 N N . PRO A 1 197 ? -37.707 -13.482 -13.772 1.00 36.00 ? 218 PRO A N 1 +ATOM 1515 C CA . PRO A 1 197 ? -38.412 -12.309 -13.233 1.00 35.24 ? 218 PRO A CA 1 +ATOM 1516 C C . PRO A 1 197 ? -37.813 -11.668 -11.987 1.00 33.77 ? 218 PRO A C 1 +ATOM 1517 O O . PRO A 1 197 ? -37.640 -10.435 -11.924 1.00 32.65 ? 218 PRO A O 1 +ATOM 1518 C CB . PRO A 1 197 ? -39.838 -12.835 -13.005 1.00 36.65 ? 218 PRO A CB 1 +ATOM 1519 C CG . PRO A 1 197 ? -39.996 -13.859 -14.117 1.00 37.17 ? 218 PRO A CG 1 +ATOM 1520 C CD . PRO A 1 197 ? -38.650 -14.588 -14.045 1.00 36.72 ? 218 PRO A CD 1 +ATOM 1521 N N . PHE A 1 198 ? -37.502 -12.489 -10.993 1.00 31.39 ? 219 PHE A N 1 +ATOM 1522 C CA . PHE A 1 198 ? -36.945 -11.952 -9.768 1.00 30.58 ? 219 PHE A CA 1 +ATOM 1523 C C . PHE A 1 198 ? -35.670 -11.184 -10.047 1.00 28.21 ? 219 PHE A C 1 +ATOM 1524 O O . PHE A 1 198 ? -35.545 -10.037 -9.652 1.00 26.68 ? 219 PHE A O 1 +ATOM 1525 C CB . PHE A 1 198 ? -36.666 -13.070 -8.745 1.00 28.85 ? 219 PHE A CB 1 +ATOM 1526 C CG . PHE A 1 198 ? -35.946 -12.603 -7.501 1.00 31.95 ? 219 PHE A CG 1 +ATOM 1527 C CD1 . PHE A 1 198 ? -36.634 -11.927 -6.487 1.00 33.13 ? 219 PHE A CD1 1 +ATOM 1528 C CD2 . PHE A 1 198 ? -34.580 -12.819 -7.351 1.00 31.25 ? 219 PHE A CD2 1 +ATOM 1529 C CE1 . PHE A 1 198 ? -35.973 -11.478 -5.355 1.00 33.99 ? 219 PHE A CE1 1 +ATOM 1530 C CE2 . PHE A 1 198 ? -33.897 -12.375 -6.220 1.00 33.70 ? 219 PHE A CE2 1 +ATOM 1531 C CZ . PHE A 1 198 ? -34.597 -11.696 -5.207 1.00 36.39 ? 219 PHE A CZ 1 +ATOM 1532 N N . PHE A 1 199 ? -34.715 -11.812 -10.725 1.00 28.07 ? 220 PHE A N 1 +ATOM 1533 C CA . PHE A 1 199 ? -33.460 -11.116 -10.980 1.00 26.47 ? 220 PHE A CA 1 +ATOM 1534 C C . PHE A 1 199 ? -33.605 -9.925 -11.896 1.00 23.73 ? 220 PHE A C 1 +ATOM 1535 O O . PHE A 1 199 ? -32.958 -8.919 -11.682 1.00 27.37 ? 220 PHE A O 1 +ATOM 1536 C CB . PHE A 1 199 ? -32.377 -12.108 -11.454 1.00 25.77 ? 220 PHE A CB 1 +ATOM 1537 C CG . PHE A 1 199 ? -31.829 -12.951 -10.340 1.00 24.15 ? 220 PHE A CG 1 +ATOM 1538 C CD1 . PHE A 1 199 ? -32.080 -14.317 -10.289 1.00 24.02 ? 220 PHE A CD1 1 +ATOM 1539 C CD2 . PHE A 1 199 ? -31.061 -12.376 -9.331 1.00 25.36 ? 220 PHE A CD2 1 +ATOM 1540 C CE1 . PHE A 1 199 ? -31.587 -15.098 -9.272 1.00 24.76 ? 220 PHE A CE1 1 +ATOM 1541 C CE2 . PHE A 1 199 ? -30.552 -13.166 -8.297 1.00 22.47 ? 220 PHE A CE2 1 +ATOM 1542 C CZ . PHE A 1 199 ? -30.823 -14.534 -8.277 1.00 25.43 ? 220 PHE A CZ 1 +ATOM 1543 N N . LEU A 1 200 ? -34.489 -9.999 -12.882 1.00 26.13 ? 221 LEU A N 1 +ATOM 1544 C CA . LEU A 1 200 ? -34.689 -8.848 -13.739 1.00 27.24 ? 221 LEU A CA 1 +ATOM 1545 C C . LEU A 1 200 ? -35.246 -7.746 -12.883 1.00 25.78 ? 221 LEU A C 1 +ATOM 1546 O O . LEU A 1 200 ? -34.882 -6.586 -13.032 1.00 24.99 ? 221 LEU A O 1 +ATOM 1547 C CB . LEU A 1 200 ? -35.675 -9.160 -14.854 1.00 32.61 ? 221 LEU A CB 1 +ATOM 1548 C CG . LEU A 1 200 ? -35.020 -10.066 -15.903 1.00 36.49 ? 221 LEU A CG 1 +ATOM 1549 C CD1 . LEU A 1 200 ? -36.043 -10.373 -17.006 1.00 38.83 ? 221 LEU A CD1 1 +ATOM 1550 C CD2 . LEU A 1 200 ? -33.756 -9.361 -16.488 1.00 37.40 ? 221 LEU A CD2 1 +ATOM 1551 N N . SER A 1 201 ? -36.134 -8.101 -11.962 1.00 24.30 ? 222 SER A N 1 +ATOM 1552 C CA . SER A 1 201 ? -36.701 -7.079 -11.098 1.00 24.40 ? 222 SER A CA 1 +ATOM 1553 C C . SER A 1 201 ? -35.630 -6.435 -10.219 1.00 24.26 ? 222 SER A C 1 +ATOM 1554 O O . SER A 1 201 ? -35.609 -5.213 -10.105 1.00 26.24 ? 222 SER A O 1 +ATOM 1555 C CB . SER A 1 201 ? -37.822 -7.670 -10.222 1.00 24.47 ? 222 SER A CB 1 +ATOM 1556 O OG . SER A 1 201 ? -38.887 -8.084 -11.063 1.00 28.13 ? 222 SER A OG 1 +ATOM 1557 N N . ILE A 1 202 ? -34.750 -7.239 -9.612 1.00 23.21 ? 223 ILE A N 1 +ATOM 1558 C CA . ILE A 1 202 ? -33.702 -6.681 -8.760 1.00 26.27 ? 223 ILE A CA 1 +ATOM 1559 C C . ILE A 1 202 ? -32.734 -5.847 -9.597 1.00 27.87 ? 223 ILE A C 1 +ATOM 1560 O O . ILE A 1 202 ? -32.132 -4.900 -9.100 1.00 26.67 ? 223 ILE A O 1 +ATOM 1561 C CB . ILE A 1 202 ? -32.908 -7.772 -8.017 1.00 27.49 ? 223 ILE A CB 1 +ATOM 1562 C CG1 . ILE A 1 202 ? -33.803 -8.412 -6.956 1.00 32.95 ? 223 ILE A CG1 1 +ATOM 1563 C CG2 . ILE A 1 202 ? -31.701 -7.167 -7.334 1.00 32.40 ? 223 ILE A CG2 1 +ATOM 1564 C CD1 . ILE A 1 202 ? -34.468 -7.413 -6.043 1.00 29.18 ? 223 ILE A CD1 1 +ATOM 1565 N N . THR A 1 203 ? -32.583 -6.211 -10.869 1.00 30.53 ? 224 THR A N 1 +ATOM 1566 C CA . THR A 1 203 ? -31.710 -5.426 -11.745 1.00 31.48 ? 224 THR A CA 1 +ATOM 1567 C C . THR A 1 203 ? -32.360 -4.035 -11.960 1.00 29.90 ? 224 THR A C 1 +ATOM 1568 O O . THR A 1 203 ? -31.704 -3.012 -11.898 1.00 31.12 ? 224 THR A O 1 +ATOM 1569 C CB . THR A 1 203 ? -31.510 -6.178 -13.093 1.00 32.13 ? 224 THR A CB 1 +ATOM 1570 O OG1 . THR A 1 203 ? -30.739 -7.362 -12.849 1.00 28.84 ? 224 THR A OG1 1 +ATOM 1571 C CG2 . THR A 1 203 ? -30.797 -5.293 -14.129 1.00 31.64 ? 224 THR A CG2 1 +ATOM 1572 N N . VAL A 1 204 ? -33.665 -3.999 -12.176 1.00 32.73 ? 225 VAL A N 1 +ATOM 1573 C CA . VAL A 1 204 ? -34.336 -2.723 -12.380 1.00 33.50 ? 225 VAL A CA 1 +ATOM 1574 C C . VAL A 1 204 ? -34.571 -1.961 -11.047 1.00 33.92 ? 225 VAL A C 1 +ATOM 1575 O O . VAL A 1 204 ? -34.625 -0.719 -11.045 1.00 33.54 ? 225 VAL A O 1 +ATOM 1576 C CB . VAL A 1 204 ? -35.684 -2.929 -13.087 1.00 34.79 ? 225 VAL A CB 1 +ATOM 1577 C CG1 . VAL A 1 204 ? -36.329 -1.578 -13.415 1.00 36.67 ? 225 VAL A CG1 1 +ATOM 1578 C CG2 . VAL A 1 204 ? -35.480 -3.756 -14.346 1.00 38.42 ? 225 VAL A CG2 1 +ATOM 1579 N N . PHE A 1 205 ? -34.721 -2.696 -9.937 1.00 29.88 ? 226 PHE A N 1 +ATOM 1580 C CA . PHE A 1 205 ? -34.930 -2.090 -8.601 1.00 31.14 ? 226 PHE A CA 1 +ATOM 1581 C C . PHE A 1 205 ? -33.785 -2.543 -7.647 1.00 29.86 ? 226 PHE A C 1 +ATOM 1582 O O . PHE A 1 205 ? -34.058 -3.172 -6.625 1.00 29.48 ? 226 PHE A O 1 +ATOM 1583 C CB . PHE A 1 205 ? -36.246 -2.570 -7.938 1.00 31.67 ? 226 PHE A CB 1 +ATOM 1584 C CG . PHE A 1 205 ? -37.465 -2.664 -8.859 1.00 35.31 ? 226 PHE A CG 1 +ATOM 1585 C CD1 . PHE A 1 205 ? -38.320 -3.781 -8.768 1.00 36.02 ? 226 PHE A CD1 1 +ATOM 1586 C CD2 . PHE A 1 205 ? -37.825 -1.628 -9.710 1.00 36.08 ? 226 PHE A CD2 1 +ATOM 1587 C CE1 . PHE A 1 205 ? -39.528 -3.856 -9.510 1.00 37.75 ? 226 PHE A CE1 1 +ATOM 1588 C CE2 . PHE A 1 205 ? -39.043 -1.692 -10.462 1.00 38.47 ? 226 PHE A CE2 1 +ATOM 1589 C CZ . PHE A 1 205 ? -39.891 -2.808 -10.354 1.00 35.37 ? 226 PHE A CZ 1 +ATOM 1590 N N . PRO A 1 206 ? -32.510 -2.285 -7.982 1.00 29.61 ? 227 PRO A N 1 +ATOM 1591 C CA . PRO A 1 206 ? -31.417 -2.713 -7.084 1.00 29.28 ? 227 PRO A CA 1 +ATOM 1592 C C . PRO A 1 206 ? -31.554 -2.149 -5.673 1.00 29.42 ? 227 PRO A C 1 +ATOM 1593 O O . PRO A 1 206 ? -31.061 -2.724 -4.699 1.00 27.80 ? 227 PRO A O 1 +ATOM 1594 C CB . PRO A 1 206 ? -30.154 -2.187 -7.779 1.00 29.62 ? 227 PRO A CB 1 +ATOM 1595 C CG . PRO A 1 206 ? -30.655 -0.987 -8.528 1.00 27.73 ? 227 PRO A CG 1 +ATOM 1596 C CD . PRO A 1 206 ? -31.987 -1.465 -9.094 1.00 29.90 ? 227 PRO A CD 1 +ATOM 1597 N N . PHE A 1 207 ? -32.202 -0.999 -5.574 1.00 29.65 ? 228 PHE A N 1 +ATOM 1598 C CA . PHE A 1 207 ? -32.432 -0.392 -4.287 1.00 32.83 ? 228 PHE A CA 1 +ATOM 1599 C C . PHE A 1 207 ? -33.292 -1.285 -3.382 1.00 32.49 ? 228 PHE A C 1 +ATOM 1600 O O . PHE A 1 207 ? -33.449 -0.979 -2.217 1.00 34.41 ? 228 PHE A O 1 +ATOM 1601 C CB . PHE A 1 207 ? -33.080 0.993 -4.463 1.00 34.34 ? 228 PHE A CB 1 +ATOM 1602 C CG . PHE A 1 207 ? -34.362 0.973 -5.267 1.00 35.91 ? 228 PHE A CG 1 +ATOM 1603 C CD1 . PHE A 1 207 ? -35.577 0.679 -4.659 1.00 34.53 ? 228 PHE A CD1 1 +ATOM 1604 C CD2 . PHE A 1 207 ? -34.349 1.260 -6.636 1.00 37.37 ? 228 PHE A CD2 1 +ATOM 1605 C CE1 . PHE A 1 207 ? -36.758 0.677 -5.392 1.00 36.34 ? 228 PHE A CE1 1 +ATOM 1606 C CE2 . PHE A 1 207 ? -35.539 1.258 -7.376 1.00 37.32 ? 228 PHE A CE2 1 +ATOM 1607 C CZ . PHE A 1 207 ? -36.737 0.969 -6.748 1.00 37.86 ? 228 PHE A CZ 1 +ATOM 1608 N N . LEU A 1 208 ? -33.848 -2.383 -3.898 1.00 30.55 ? 229 LEU A N 1 +ATOM 1609 C CA . LEU A 1 208 ? -34.642 -3.259 -3.045 1.00 30.56 ? 229 LEU A CA 1 +ATOM 1610 C C . LEU A 1 208 ? -33.801 -4.339 -2.302 1.00 30.74 ? 229 LEU A C 1 +ATOM 1611 O O . LEU A 1 208 ? -34.297 -5.019 -1.382 1.00 28.70 ? 229 LEU A O 1 +ATOM 1612 C CB . LEU A 1 208 ? -35.756 -3.944 -3.849 1.00 28.20 ? 229 LEU A CB 1 +ATOM 1613 C CG . LEU A 1 208 ? -36.798 -2.993 -4.475 1.00 30.58 ? 229 LEU A CG 1 +ATOM 1614 C CD1 . LEU A 1 208 ? -37.921 -3.798 -5.105 1.00 28.77 ? 229 LEU A CD1 1 +ATOM 1615 C CD2 . LEU A 1 208 ? -37.351 -2.055 -3.412 1.00 32.18 ? 229 LEU A CD2 1 +ATOM 1616 N N . ILE A 1 209 ? -32.546 -4.505 -2.694 1.00 26.47 ? 230 ILE A N 1 +ATOM 1617 C CA . ILE A 1 209 ? -31.722 -5.512 -2.044 1.00 29.07 ? 230 ILE A CA 1 +ATOM 1618 C C . ILE A 1 209 ? -31.534 -5.281 -0.528 1.00 28.75 ? 230 ILE A C 1 +ATOM 1619 O O . ILE A 1 209 ? -31.613 -6.227 0.247 1.00 28.67 ? 230 ILE A O 1 +ATOM 1620 C CB . ILE A 1 209 ? -30.333 -5.645 -2.752 1.00 31.75 ? 230 ILE A CB 1 +ATOM 1621 C CG1 . ILE A 1 209 ? -30.545 -6.184 -4.171 1.00 32.05 ? 230 ILE A CG1 1 +ATOM 1622 C CG2 . ILE A 1 209 ? -29.410 -6.605 -1.960 1.00 32.16 ? 230 ILE A CG2 1 +ATOM 1623 C CD1 . ILE A 1 209 ? -29.288 -6.160 -5.053 1.00 35.76 ? 230 ILE A CD1 1 +ATOM 1624 N N . PRO A 1 210 ? -31.274 -4.037 -0.089 1.00 28.90 ? 231 PRO A N 1 +ATOM 1625 C CA . PRO A 1 210 ? -31.110 -3.893 1.367 1.00 31.26 ? 231 PRO A CA 1 +ATOM 1626 C C . PRO A 1 210 ? -32.401 -4.253 2.116 1.00 30.28 ? 231 PRO A C 1 +ATOM 1627 O O . PRO A 1 210 ? -32.340 -4.791 3.214 1.00 30.51 ? 231 PRO A O 1 +ATOM 1628 C CB . PRO A 1 210 ? -30.724 -2.425 1.538 1.00 29.52 ? 231 PRO A CB 1 +ATOM 1629 C CG . PRO A 1 210 ? -29.943 -2.148 0.264 1.00 30.27 ? 231 PRO A CG 1 +ATOM 1630 C CD . PRO A 1 210 ? -30.852 -2.806 -0.786 1.00 29.16 ? 231 PRO A CD 1 +ATOM 1631 N N . ILE A 1 211 ? -33.549 -3.998 1.494 1.00 28.54 ? 232 ILE A N 1 +ATOM 1632 C CA . ILE A 1 211 ? -34.837 -4.323 2.107 1.00 30.00 ? 232 ILE A CA 1 +ATOM 1633 C C . ILE A 1 211 ? -35.006 -5.832 2.239 1.00 30.61 ? 232 ILE A C 1 +ATOM 1634 O O . ILE A 1 211 ? -35.514 -6.327 3.270 1.00 31.90 ? 232 ILE A O 1 +ATOM 1635 C CB . ILE A 1 211 ? -35.996 -3.708 1.298 1.00 31.38 ? 232 ILE A CB 1 +ATOM 1636 C CG1 . ILE A 1 211 ? -36.059 -2.210 1.601 1.00 31.71 ? 232 ILE A CG1 1 +ATOM 1637 C CG2 . ILE A 1 211 ? -37.311 -4.418 1.608 1.00 34.00 ? 232 ILE A CG2 1 +ATOM 1638 C CD1 . ILE A 1 211 ? -37.054 -1.438 0.780 1.00 29.94 ? 232 ILE A CD1 1 +ATOM 1639 N N . LEU A 1 212 ? -34.565 -6.590 1.235 1.00 27.39 ? 233 LEU A N 1 +ATOM 1640 C CA . LEU A 1 212 ? -34.682 -8.027 1.337 1.00 28.88 ? 233 LEU A CA 1 +ATOM 1641 C C . LEU A 1 212 ? -33.678 -8.565 2.343 1.00 29.20 ? 233 LEU A C 1 +ATOM 1642 O O . LEU A 1 212 ? -33.972 -9.512 3.039 1.00 28.30 ? 233 LEU A O 1 +ATOM 1643 C CB . LEU A 1 212 ? -34.476 -8.708 -0.019 1.00 31.42 ? 233 LEU A CB 1 +ATOM 1644 C CG . LEU A 1 212 ? -35.544 -8.310 -1.050 1.00 35.16 ? 233 LEU A CG 1 +ATOM 1645 C CD1 . LEU A 1 212 ? -35.195 -8.851 -2.438 1.00 37.95 ? 233 LEU A CD1 1 +ATOM 1646 C CD2 . LEU A 1 212 ? -36.894 -8.829 -0.600 1.00 35.45 ? 233 LEU A CD2 1 +ATOM 1647 N N . GLU A 1 213 ? -32.495 -7.972 2.422 1.00 30.46 ? 234 GLU A N 1 +ATOM 1648 C CA . GLU A 1 213 ? -31.504 -8.465 3.371 1.00 35.29 ? 234 GLU A CA 1 +ATOM 1649 C C . GLU A 1 213 ? -32.015 -8.315 4.813 1.00 34.90 ? 234 GLU A C 1 +ATOM 1650 O O . GLU A 1 213 ? -31.910 -9.250 5.605 1.00 34.89 ? 234 GLU A O 1 +ATOM 1651 C CB . GLU A 1 213 ? -30.156 -7.725 3.210 1.00 37.04 ? 234 GLU A CB 1 +ATOM 1652 C CG . GLU A 1 213 ? -29.453 -7.924 1.843 1.00 42.19 ? 234 GLU A CG 1 +ATOM 1653 C CD . GLU A 1 213 ? -28.671 -9.240 1.716 1.00 47.29 ? 234 GLU A CD 1 +ATOM 1654 O OE1 . GLU A 1 213 ? -29.012 -10.238 2.408 1.00 48.10 ? 234 GLU A OE1 1 +ATOM 1655 O OE2 . GLU A 1 213 ? -27.710 -9.281 0.901 1.00 48.07 ? 234 GLU A OE2 1 +ATOM 1656 N N . VAL A 1 214 ? -32.579 -7.154 5.150 1.00 34.76 ? 235 VAL A N 1 +ATOM 1657 C CA . VAL A 1 214 ? -33.060 -6.944 6.515 1.00 36.15 ? 235 VAL A CA 1 +ATOM 1658 C C . VAL A 1 214 ? -34.151 -7.949 6.867 1.00 34.94 ? 235 VAL A C 1 +ATOM 1659 O O . VAL A 1 214 ? -34.229 -8.396 8.001 1.00 37.82 ? 235 VAL A O 1 +ATOM 1660 C CB . VAL A 1 214 ? -33.562 -5.476 6.752 1.00 36.09 ? 235 VAL A CB 1 +ATOM 1661 C CG1 . VAL A 1 214 ? -34.997 -5.293 6.260 1.00 37.12 ? 235 VAL A CG1 1 +ATOM 1662 C CG2 . VAL A 1 214 ? -33.484 -5.131 8.235 1.00 39.40 ? 235 VAL A CG2 1 +ATOM 1663 N N . LEU A 1 215 ? -34.988 -8.315 5.906 1.00 34.41 ? 236 LEU A N 1 +ATOM 1664 C CA . LEU A 1 215 ? -36.037 -9.299 6.158 1.00 33.57 ? 236 LEU A CA 1 +ATOM 1665 C C . LEU A 1 215 ? -35.460 -10.728 6.097 1.00 33.13 ? 236 LEU A C 1 +ATOM 1666 O O . LEU A 1 215 ? -36.179 -11.725 6.186 1.00 32.02 ? 236 LEU A O 1 +ATOM 1667 C CB . LEU A 1 215 ? -37.158 -9.145 5.128 1.00 30.99 ? 236 LEU A CB 1 +ATOM 1668 C CG . LEU A 1 215 ? -37.924 -7.843 5.322 1.00 32.18 ? 236 LEU A CG 1 +ATOM 1669 C CD1 . LEU A 1 215 ? -38.940 -7.656 4.218 1.00 27.86 ? 236 LEU A CD1 1 +ATOM 1670 C CD2 . LEU A 1 215 ? -38.624 -7.858 6.689 1.00 30.75 ? 236 LEU A CD2 1 +ATOM 1671 N N . ASN A 1 216 ? -34.155 -10.822 5.942 1.00 33.18 ? 237 ASN A N 1 +ATOM 1672 C CA . ASN A 1 216 ? -33.517 -12.123 5.863 1.00 36.69 ? 237 ASN A CA 1 +ATOM 1673 C C . ASN A 1 216 ? -33.972 -12.926 4.641 1.00 35.25 ? 237 ASN A C 1 +ATOM 1674 O O . ASN A 1 216 ? -34.047 -14.155 4.704 1.00 33.30 ? 237 ASN A O 1 +ATOM 1675 C CB . ASN A 1 216 ? -33.829 -12.924 7.125 1.00 40.99 ? 237 ASN A CB 1 +ATOM 1676 C CG . ASN A 1 216 ? -32.596 -13.251 7.906 1.00 45.79 ? 237 ASN A CG 1 +ATOM 1677 O OD1 . ASN A 1 216 ? -31.782 -12.363 8.196 1.00 51.83 ? 237 ASN A OD1 1 +ATOM 1678 N ND2 . ASN A 1 216 ? -32.432 -14.527 8.258 1.00 48.30 ? 237 ASN A ND2 1 +ATOM 1679 N N . ILE A 1 217 ? -34.332 -12.243 3.558 1.00 35.04 ? 238 ILE A N 1 +ATOM 1680 C CA . ILE A 1 217 ? -34.724 -12.938 2.345 1.00 35.80 ? 238 ILE A CA 1 +ATOM 1681 C C . ILE A 1 217 ? -33.430 -13.197 1.572 1.00 37.50 ? 238 ILE A C 1 +ATOM 1682 O O . ILE A 1 217 ? -32.662 -12.276 1.301 1.00 38.96 ? 238 ILE A O 1 +ATOM 1683 C CB . ILE A 1 217 ? -35.708 -12.101 1.537 1.00 35.88 ? 238 ILE A CB 1 +ATOM 1684 C CG1 . ILE A 1 217 ? -37.021 -12.012 2.325 1.00 37.52 ? 238 ILE A CG1 1 +ATOM 1685 C CG2 . ILE A 1 217 ? -35.923 -12.717 0.177 1.00 34.35 ? 238 ILE A CG2 1 +ATOM 1686 C CD1 . ILE A 1 217 ? -37.958 -10.975 1.811 1.00 40.40 ? 238 ILE A CD1 1 +ATOM 1687 N N . CYS A 1 218 ? -33.181 -14.453 1.229 1.00 38.47 ? 239 CYS A N 1 +ATOM 1688 C CA . CYS A 1 218 ? -31.938 -14.827 0.554 1.00 39.51 ? 239 CYS A CA 1 +ATOM 1689 C C . CYS A 1 218 ? -32.131 -15.621 -0.743 1.00 37.80 ? 239 CYS A C 1 +ATOM 1690 O O . CYS A 1 218 ? -33.039 -16.440 -0.835 1.00 35.61 ? 239 CYS A O 1 +ATOM 1691 C CB . CYS A 1 218 ? -31.077 -15.643 1.538 1.00 41.07 ? 239 CYS A CB 1 +ATOM 1692 S SG . CYS A 1 218 ? -29.451 -16.178 0.935 1.00 47.12 ? 239 CYS A SG 1 +ATOM 1693 N N . VAL A 1 219 ? -31.253 -15.389 -1.726 1.00 35.04 ? 240 VAL A N 1 +ATOM 1694 C CA . VAL A 1 219 ? -31.338 -16.102 -3.000 1.00 36.05 ? 240 VAL A CA 1 +ATOM 1695 C C . VAL A 1 219 ? -31.077 -17.582 -2.847 1.00 35.38 ? 240 VAL A C 1 +ATOM 1696 O O . VAL A 1 219 ? -31.615 -18.370 -3.613 1.00 35.69 ? 240 VAL A O 1 +ATOM 1697 C CB . VAL A 1 219 ? -30.386 -15.511 -4.093 1.00 32.91 ? 240 VAL A CB 1 +ATOM 1698 C CG1 . VAL A 1 219 ? -30.993 -14.244 -4.623 1.00 34.94 ? 240 VAL A CG1 1 +ATOM 1699 C CG2 . VAL A 1 219 ? -29.021 -15.248 -3.514 1.00 31.16 ? 240 VAL A CG2 1 +ATOM 1700 N N . PHE A 1 220 ? -30.249 -17.970 -1.884 1.00 36.58 ? 241 PHE A N 1 +ATOM 1701 C CA . PHE A 1 220 ? -30.054 -19.394 -1.647 1.00 39.72 ? 241 PHE A CA 1 +ATOM 1702 C C . PHE A 1 220 ? -31.203 -19.831 -0.708 1.00 42.50 ? 241 PHE A C 1 +ATOM 1703 O O . PHE A 1 220 ? -31.457 -19.178 0.297 1.00 44.05 ? 241 PHE A O 1 +ATOM 1704 C CB . PHE A 1 220 ? -28.707 -19.655 -0.983 1.00 37.74 ? 241 PHE A CB 1 +ATOM 1705 C CG . PHE A 1 220 ? -27.533 -19.301 -1.845 1.00 36.54 ? 241 PHE A CG 1 +ATOM 1706 C CD1 . PHE A 1 220 ? -26.998 -18.019 -1.820 1.00 34.65 ? 241 PHE A CD1 1 +ATOM 1707 C CD2 . PHE A 1 220 ? -26.982 -20.244 -2.716 1.00 34.83 ? 241 PHE A CD2 1 +ATOM 1708 C CE1 . PHE A 1 220 ? -25.936 -17.674 -2.645 1.00 34.12 ? 241 PHE A CE1 1 +ATOM 1709 C CE2 . PHE A 1 220 ? -25.903 -19.896 -3.555 1.00 31.61 ? 241 PHE A CE2 1 +ATOM 1710 C CZ . PHE A 1 220 ? -25.388 -18.617 -3.512 1.00 28.25 ? 241 PHE A CZ 1 +ATOM 1711 N N . PRO A 1 221 ? -31.910 -20.927 -1.030 1.00 45.37 ? 242 PRO A N 1 +ATOM 1712 C CA . PRO A 1 221 ? -33.026 -21.419 -0.200 1.00 47.68 ? 242 PRO A CA 1 +ATOM 1713 C C . PRO A 1 221 ? -32.618 -21.685 1.243 1.00 49.98 ? 242 PRO A C 1 +ATOM 1714 O O . PRO A 1 221 ? -31.857 -22.605 1.498 1.00 50.15 ? 242 PRO A O 1 +ATOM 1715 C CB . PRO A 1 221 ? -33.431 -22.704 -0.896 1.00 46.34 ? 242 PRO A CB 1 +ATOM 1716 C CG . PRO A 1 221 ? -33.059 -22.430 -2.341 1.00 47.61 ? 242 PRO A CG 1 +ATOM 1717 C CD . PRO A 1 221 ? -31.708 -21.803 -2.197 1.00 45.71 ? 242 PRO A CD 1 +ATOM 1718 N N . ARG A 1 222 ? -33.112 -20.879 2.184 1.00 52.89 ? 243 ARG A N 1 +ATOM 1719 C CA . ARG A 1 222 ? -32.776 -21.074 3.599 1.00 54.64 ? 243 ARG A CA 1 +ATOM 1720 C C . ARG A 1 222 ? -33.202 -22.487 3.983 1.00 54.53 ? 243 ARG A C 1 +ATOM 1721 O O . ARG A 1 222 ? -32.561 -23.149 4.803 1.00 54.36 ? 243 ARG A O 1 +ATOM 1722 C CB . ARG A 1 222 ? -33.502 -20.046 4.461 1.00 56.94 ? 243 ARG A CB 1 +ATOM 1723 C CG . ARG A 1 222 ? -33.172 -20.088 5.953 1.00 59.52 ? 243 ARG A CG 1 +ATOM 1724 C CD . ARG A 1 222 ? -33.958 -18.996 6.666 1.00 63.16 ? 243 ARG A CD 1 +ATOM 1725 N NE . ARG A 1 222 ? -34.839 -18.314 5.712 1.00 67.58 ? 243 ARG A NE 1 +ATOM 1726 C CZ . ARG A 1 222 ? -35.584 -17.244 5.982 1.00 68.67 ? 243 ARG A CZ 1 +ATOM 1727 N NH1 . ARG A 1 222 ? -35.569 -16.704 7.198 1.00 69.22 ? 243 ARG A NH1 1 +ATOM 1728 N NH2 . ARG A 1 222 ? -36.348 -16.716 5.025 1.00 68.09 ? 243 ARG A NH2 1 +ATOM 1729 N N . GLU A 1 223 ? -34.289 -22.935 3.366 1.00 54.65 ? 244 GLU A N 1 +ATOM 1730 C CA . GLU A 1 223 ? -34.805 -24.282 3.555 1.00 56.70 ? 244 GLU A CA 1 +ATOM 1731 C C . GLU A 1 223 ? -33.635 -25.268 3.464 1.00 56.77 ? 244 GLU A C 1 +ATOM 1732 O O . GLU A 1 223 ? -33.487 -26.168 4.290 1.00 55.98 ? 244 GLU A O 1 +ATOM 1733 C CB . GLU A 1 223 ? -35.781 -24.584 2.425 1.00 59.30 ? 244 GLU A CB 1 +ATOM 1734 C CG . GLU A 1 223 ? -36.327 -25.994 2.388 1.00 62.71 ? 244 GLU A CG 1 +ATOM 1735 C CD . GLU A 1 223 ? -37.633 -26.101 3.136 1.00 65.04 ? 244 GLU A CD 1 +ATOM 1736 O OE1 . GLU A 1 223 ? -38.341 -27.119 2.956 1.00 66.91 ? 244 GLU A OE1 1 +ATOM 1737 O OE2 . GLU A 1 223 ? -37.947 -25.162 3.904 1.00 65.86 ? 244 GLU A OE2 1 +ATOM 1738 N N . VAL A 1 224 ? -32.819 -25.078 2.426 1.00 56.24 ? 245 VAL A N 1 +ATOM 1739 C CA . VAL A 1 224 ? -31.655 -25.909 2.140 1.00 54.65 ? 245 VAL A CA 1 +ATOM 1740 C C . VAL A 1 224 ? -30.399 -25.446 2.874 1.00 54.68 ? 245 VAL A C 1 +ATOM 1741 O O . VAL A 1 224 ? -29.629 -26.263 3.375 1.00 52.08 ? 245 VAL A O 1 +ATOM 1742 C CB . VAL A 1 224 ? -31.369 -25.916 0.620 1.00 55.32 ? 245 VAL A CB 1 +ATOM 1743 C CG1 . VAL A 1 224 ? -30.089 -26.682 0.323 1.00 53.17 ? 245 VAL A CG1 1 +ATOM 1744 C CG2 . VAL A 1 224 ? -32.559 -26.512 -0.117 1.00 55.34 ? 245 VAL A CG2 1 +ATOM 1745 N N . THR A 1 225 ? -30.175 -24.139 2.932 1.00 55.19 ? 246 THR A N 1 +ATOM 1746 C CA . THR A 1 225 ? -28.994 -23.643 3.620 1.00 56.80 ? 246 THR A CA 1 +ATOM 1747 C C . THR A 1 225 ? -29.062 -24.014 5.105 1.00 58.53 ? 246 THR A C 1 +ATOM 1748 O O . THR A 1 225 ? -28.041 -24.345 5.721 1.00 58.42 ? 246 THR A O 1 +ATOM 1749 C CB . THR A 1 225 ? -28.862 -22.130 3.458 1.00 56.51 ? 246 THR A CB 1 +ATOM 1750 O OG1 . THR A 1 225 ? -29.963 -21.475 4.097 1.00 56.73 ? 246 THR A OG1 1 +ATOM 1751 C CG2 . THR A 1 225 ? -28.857 -21.773 1.980 1.00 58.27 ? 246 THR A CG2 1 +ATOM 1752 N N . ASN A 1 226 ? -30.263 -23.968 5.676 1.00 59.55 ? 247 ASN A N 1 +ATOM 1753 C CA . ASN A 1 226 ? -30.440 -24.333 7.079 1.00 61.23 ? 247 ASN A CA 1 +ATOM 1754 C C . ASN A 1 226 ? -29.998 -25.783 7.222 1.00 61.14 ? 247 ASN A C 1 +ATOM 1755 O O . ASN A 1 226 ? -29.059 -26.100 7.959 1.00 60.79 ? 247 ASN A O 1 +ATOM 1756 C CB . ASN A 1 226 ? -31.914 -24.205 7.491 1.00 62.58 ? 247 ASN A CB 1 +ATOM 1757 C CG . ASN A 1 226 ? -32.279 -22.799 7.967 1.00 63.82 ? 247 ASN A CG 1 +ATOM 1758 O OD1 . ASN A 1 226 ? -33.463 -22.457 8.078 1.00 63.83 ? 247 ASN A OD1 1 +ATOM 1759 N ND2 . ASN A 1 226 ? -31.266 -21.984 8.262 1.00 63.16 ? 247 ASN A ND2 1 +ATOM 1760 N N . PHE A 1 227 ? -30.684 -26.653 6.493 1.00 61.29 ? 248 PHE A N 1 +ATOM 1761 C CA . PHE A 1 227 ? -30.400 -28.081 6.503 1.00 62.35 ? 248 PHE A CA 1 +ATOM 1762 C C . PHE A 1 227 ? -28.905 -28.446 6.478 1.00 62.81 ? 248 PHE A C 1 +ATOM 1763 O O . PHE A 1 227 ? -28.411 -29.132 7.371 1.00 62.45 ? 248 PHE A O 1 +ATOM 1764 C CB . PHE A 1 227 ? -31.111 -28.745 5.324 1.00 62.75 ? 248 PHE A CB 1 +ATOM 1765 C CG . PHE A 1 227 ? -30.742 -30.176 5.136 1.00 63.90 ? 248 PHE A CG 1 +ATOM 1766 C CD1 . PHE A 1 227 ? -31.177 -31.141 6.035 1.00 64.87 ? 248 PHE A CD1 1 +ATOM 1767 C CD2 . PHE A 1 227 ? -29.909 -30.557 4.095 1.00 64.44 ? 248 PHE A CD2 1 +ATOM 1768 C CE1 . PHE A 1 227 ? -30.781 -32.465 5.898 1.00 65.47 ? 248 PHE A CE1 1 +ATOM 1769 C CE2 . PHE A 1 227 ? -29.508 -31.877 3.951 1.00 64.72 ? 248 PHE A CE2 1 +ATOM 1770 C CZ . PHE A 1 227 ? -29.942 -32.832 4.852 1.00 65.62 ? 248 PHE A CZ 1 +ATOM 1771 N N . LEU A 1 228 ? -28.182 -27.994 5.461 1.00 62.79 ? 249 LEU A N 1 +ATOM 1772 C CA . LEU A 1 228 ? -26.764 -28.314 5.365 1.00 63.96 ? 249 LEU A CA 1 +ATOM 1773 C C . LEU A 1 228 ? -25.956 -27.687 6.490 1.00 65.59 ? 249 LEU A C 1 +ATOM 1774 O O . LEU A 1 228 ? -24.930 -28.240 6.912 1.00 65.32 ? 249 LEU A O 1 +ATOM 1775 C CB . LEU A 1 228 ? -26.198 -27.835 4.027 1.00 63.71 ? 249 LEU A CB 1 +ATOM 1776 C CG . LEU A 1 228 ? -26.898 -28.353 2.777 1.00 62.89 ? 249 LEU A CG 1 +ATOM 1777 C CD1 . LEU A 1 228 ? -26.324 -27.665 1.549 1.00 63.46 ? 249 LEU A CD1 1 +ATOM 1778 C CD2 . LEU A 1 228 ? -26.726 -29.862 2.691 1.00 63.50 ? 249 LEU A CD2 1 +ATOM 1779 N N . ARG A 1 229 ? -26.401 -26.521 6.958 1.00 66.78 ? 250 ARG A N 1 +ATOM 1780 C CA . ARG A 1 229 ? -25.699 -25.817 8.028 1.00 68.12 ? 250 ARG A CA 1 +ATOM 1781 C C . ARG A 1 229 ? -25.679 -26.733 9.241 1.00 68.18 ? 250 ARG A C 1 +ATOM 1782 O O . ARG A 1 229 ? -24.665 -26.857 9.937 1.00 67.18 ? 250 ARG A O 1 +ATOM 1783 C CB . ARG A 1 229 ? -26.416 -24.503 8.366 1.00 69.32 ? 250 ARG A CB 1 +ATOM 1784 C CG . ARG A 1 229 ? -25.503 -23.426 8.959 1.00 72.10 ? 250 ARG A CG 1 +ATOM 1785 C CD . ARG A 1 229 ? -25.566 -22.113 8.140 1.00 74.57 ? 250 ARG A CD 1 +ATOM 1786 N NE . ARG A 1 229 ? -26.737 -21.282 8.445 1.00 76.27 ? 250 ARG A NE 1 +ATOM 1787 C CZ . ARG A 1 229 ? -26.789 -20.379 9.426 1.00 76.68 ? 250 ARG A CZ 1 +ATOM 1788 N NH1 . ARG A 1 229 ? -25.734 -20.171 10.209 1.00 76.41 ? 250 ARG A NH1 1 +ATOM 1789 N NH2 . ARG A 1 229 ? -27.902 -19.687 9.635 1.00 76.75 ? 250 ARG A NH2 1 +ATOM 1790 N N . LYS A 1 230 ? -26.814 -27.383 9.467 1.00 68.57 ? 251 LYS A N 1 +ATOM 1791 C CA . LYS A 1 230 ? -26.972 -28.304 10.579 1.00 69.87 ? 251 LYS A CA 1 +ATOM 1792 C C . LYS A 1 230 ? -26.283 -29.636 10.291 1.00 70.09 ? 251 LYS A C 1 +ATOM 1793 O O . LYS A 1 230 ? -25.641 -30.206 11.173 1.00 70.57 ? 251 LYS A O 1 +ATOM 1794 C CB . LYS A 1 230 ? -28.464 -28.522 10.873 1.00 70.05 ? 251 LYS A CB 1 +ATOM 1795 C CG . LYS A 1 230 ? -29.112 -27.477 11.817 1.00 70.51 ? 251 LYS A CG 1 +ATOM 1796 C CD . LYS A 1 230 ? -29.270 -26.074 11.211 1.00 70.55 ? 251 LYS A CD 1 +ATOM 1797 C CE . LYS A 1 230 ? -27.980 -25.239 11.239 1.00 71.14 ? 251 LYS A CE 1 +ATOM 1798 N NZ . LYS A 1 230 ? -27.557 -24.769 12.597 1.00 71.57 ? 251 LYS A NZ 1 +ATOM 1799 N N . SER A 1 231 ? -26.398 -30.117 9.054 1.00 70.04 ? 252 SER A N 1 +ATOM 1800 C CA . SER A 1 231 ? -25.778 -31.384 8.671 1.00 69.83 ? 252 SER A CA 1 +ATOM 1801 C C . SER A 1 231 ? -24.264 -31.348 8.849 1.00 69.65 ? 252 SER A C 1 +ATOM 1802 O O . SER A 1 231 ? -23.668 -32.311 9.328 1.00 69.56 ? 252 SER A O 1 +ATOM 1803 C CB . SER A 1 231 ? -26.122 -31.729 7.221 1.00 70.03 ? 252 SER A CB 1 +ATOM 1804 O OG . SER A 1 231 ? -27.509 -31.981 7.066 1.00 70.64 ? 252 SER A OG 1 +ATOM 1805 N N . VAL A 1 232 ? -23.645 -30.240 8.456 1.00 69.79 ? 253 VAL A N 1 +ATOM 1806 C CA . VAL A 1 232 ? -22.194 -30.081 8.592 1.00 70.38 ? 253 VAL A CA 1 +ATOM 1807 C C . VAL A 1 232 ? -21.837 -30.035 10.071 1.00 71.30 ? 253 VAL A C 1 +ATOM 1808 O O . VAL A 1 232 ? -20.835 -30.609 10.507 1.00 70.75 ? 253 VAL A O 1 +ATOM 1809 C CB . VAL A 1 232 ? -21.702 -28.761 7.947 1.00 69.90 ? 253 VAL A CB 1 +ATOM 1810 C CG1 . VAL A 1 232 ? -20.201 -28.582 8.187 1.00 68.48 ? 253 VAL A CG1 1 +ATOM 1811 C CG2 . VAL A 1 232 ? -22.027 -28.756 6.461 1.00 69.27 ? 253 VAL A CG2 1 +ATOM 1812 N N . LYS A 1 233 ? -22.678 -29.334 10.826 1.00 72.49 ? 254 LYS A N 1 +ATOM 1813 C CA . LYS A 1 233 ? -22.501 -29.166 12.257 1.00 73.00 ? 254 LYS A CA 1 +ATOM 1814 C C . LYS A 1 233 ? -22.256 -30.511 12.920 1.00 73.79 ? 254 LYS A C 1 +ATOM 1815 O O . LYS A 1 233 ? -21.203 -30.717 13.527 1.00 73.14 ? 254 LYS A O 1 +ATOM 1816 C CB . LYS A 1 233 ? -23.741 -28.510 12.876 1.00 71.92 ? 254 LYS A CB 1 +ATOM 1817 C CG . LYS A 1 233 ? -23.499 -27.904 14.250 1.00 70.89 ? 254 LYS A CG 1 +ATOM 1818 C CD . LYS A 1 233 ? -22.501 -26.749 14.163 1.00 70.71 ? 254 LYS A CD 1 +ATOM 1819 C CE . LYS A 1 233 ? -21.212 -27.039 14.923 1.00 69.95 ? 254 LYS A CE 1 +ATOM 1820 N NZ . LYS A 1 233 ? -20.522 -28.274 14.456 1.00 70.04 ? 254 LYS A NZ 1 +ATOM 1821 N N . ARG A 1 234 ? -23.224 -31.421 12.787 1.00 74.70 ? 255 ARG A N 1 +ATOM 1822 C CA . ARG A 1 234 ? -23.122 -32.743 13.394 1.00 76.46 ? 255 ARG A CA 1 +ATOM 1823 C C . ARG A 1 234 ? -21.967 -33.596 12.862 1.00 76.98 ? 255 ARG A C 1 +ATOM 1824 O O . ARG A 1 234 ? -21.086 -33.990 13.627 1.00 76.70 ? 255 ARG A O 1 +ATOM 1825 C CB . ARG A 1 234 ? -24.448 -33.503 13.254 1.00 77.32 ? 255 ARG A CB 1 +ATOM 1826 C CG . ARG A 1 234 ? -24.871 -33.798 11.840 1.00 78.73 ? 255 ARG A CG 1 +ATOM 1827 C CD . ARG A 1 234 ? -25.924 -34.884 11.815 1.00 80.03 ? 255 ARG A CD 1 +ATOM 1828 N NE . ARG A 1 234 ? -26.207 -35.305 10.446 1.00 82.83 ? 255 ARG A NE 1 +ATOM 1829 C CZ . ARG A 1 234 ? -26.907 -36.390 10.121 1.00 83.44 ? 255 ARG A CZ 1 +ATOM 1830 N NH1 . ARG A 1 234 ? -27.401 -37.178 11.069 1.00 84.19 ? 255 ARG A NH1 1 +ATOM 1831 N NH2 . ARG A 1 234 ? -27.111 -36.692 8.844 1.00 84.52 ? 255 ARG A NH2 1 +ATOM 1832 N N . MET A 1 235 ? -21.960 -33.882 11.565 1.00 77.42 ? 256 MET A N 1 +ATOM 1833 C CA . MET A 1 235 ? -20.882 -34.684 11.009 1.00 77.88 ? 256 MET A CA 1 +ATOM 1834 C C . MET A 1 235 ? -19.518 -34.063 11.312 1.00 77.97 ? 256 MET A C 1 +ATOM 1835 O O . MET A 1 235 ? -18.523 -34.772 11.407 1.00 78.06 ? 256 MET A O 1 +ATOM 1836 C CB . MET A 1 235 ? -21.060 -34.857 9.499 1.00 77.76 ? 256 MET A CB 1 +ATOM 1837 C CG . MET A 1 235 ? -21.057 -33.576 8.703 1.00 78.23 ? 256 MET A CG 1 +ATOM 1838 S SD . MET A 1 235 ? -21.102 -33.913 6.927 1.00 78.99 ? 256 MET A SD 1 +ATOM 1839 C CE . MET A 1 235 ? -22.800 -34.524 6.762 1.00 77.60 ? 256 MET A CE 1 +ATOM 1840 N N . LYS A 1 236 ? -19.464 -32.743 11.466 1.00 78.48 ? 257 LYS A N 1 +ATOM 1841 C CA . LYS A 1 236 ? -18.197 -32.089 11.782 1.00 78.93 ? 257 LYS A CA 1 +ATOM 1842 C C . LYS A 1 236 ? -17.799 -32.494 13.199 1.00 79.96 ? 257 LYS A C 1 +ATOM 1843 O O . LYS A 1 236 ? -16.622 -32.457 13.572 1.00 79.48 ? 257 LYS A O 1 +ATOM 1844 C CB . LYS A 1 236 ? -18.328 -30.567 11.702 1.00 78.45 ? 257 LYS A CB 1 +ATOM 1845 C CG . LYS A 1 236 ? -17.022 -29.836 11.993 1.00 77.91 ? 257 LYS A CG 1 +ATOM 1846 C CD . LYS A 1 236 ? -17.103 -28.342 11.690 1.00 76.82 ? 257 LYS A CD 1 +ATOM 1847 C CE . LYS A 1 236 ? -15.727 -27.698 11.813 1.00 76.41 ? 257 LYS A CE 1 +ATOM 1848 N NZ . LYS A 1 236 ? -15.751 -26.236 11.565 1.00 75.42 ? 257 LYS A NZ 1 +ATOM 1849 N N . GLU A 1 237 ? -18.803 -32.870 13.984 1.00 80.57 ? 258 GLU A N 1 +ATOM 1850 C CA . GLU A 1 237 ? -18.591 -33.308 15.349 1.00 82.01 ? 258 GLU A CA 1 +ATOM 1851 C C . GLU A 1 237 ? -18.898 -34.792 15.324 1.00 82.95 ? 258 GLU A C 1 +ATOM 1852 O O . GLU A 1 237 ? -18.025 -35.616 15.017 1.00 83.18 ? 258 GLU A O 1 +ATOM 1853 C CB . GLU A 1 237 ? -19.554 -32.589 16.302 1.00 82.49 ? 258 GLU A CB 1 +ATOM 1854 C CG . GLU A 1 237 ? -19.718 -31.101 16.025 1.00 83.43 ? 258 GLU A CG 1 +ATOM 1855 C CD . GLU A 1 237 ? -18.404 -30.325 16.065 1.00 84.28 ? 258 GLU A CD 1 +ATOM 1856 O OE1 . GLU A 1 237 ? -17.340 -30.911 15.765 1.00 85.16 ? 258 GLU A OE1 1 +ATOM 1857 O OE2 . GLU A 1 237 ? -18.441 -29.115 16.376 1.00 83.80 ? 258 GLU A OE2 1 +ATOM 1858 N N . SER A 1 238 ? -20.158 -35.104 15.626 1.00 83.75 ? 259 SER A N 1 +ATOM 1859 C CA . SER A 1 238 ? -20.705 -36.463 15.647 1.00 83.91 ? 259 SER A CA 1 +ATOM 1860 C C . SER A 1 238 ? -19.792 -37.512 15.039 1.00 84.61 ? 259 SER A C 1 +ATOM 1861 O O . SER A 1 238 ? -19.386 -38.474 15.698 1.00 85.15 ? 259 SER A O 1 +ATOM 1862 C CB . SER A 1 238 ? -22.029 -36.505 14.883 1.00 83.29 ? 259 SER A CB 1 +ATOM 1863 O OG . SER A 1 238 ? -21.980 -37.494 13.860 1.00 82.32 ? 259 SER A OG 1 +ATOM 1864 N N . ARG A 1 239 ? -19.494 -37.330 13.760 1.00 84.55 ? 260 ARG A N 1 +ATOM 1865 C CA . ARG A 1 239 ? -18.649 -38.267 13.061 1.00 84.17 ? 260 ARG A CA 1 +ATOM 1866 C C . ARG A 1 239 ? -17.209 -38.178 13.542 1.00 84.32 ? 260 ARG A C 1 +ATOM 1867 O O . ARG A 1 239 ? -16.911 -38.533 14.687 1.00 84.25 ? 260 ARG A O 1 +ATOM 1868 C CB . ARG A 1 239 ? -18.733 -38.018 11.558 1.00 83.82 ? 260 ARG A CB 1 +ATOM 1869 C CG . ARG A 1 239 ? -20.161 -37.947 11.054 1.00 83.27 ? 260 ARG A CG 1 +ATOM 1870 C CD . ARG A 1 239 ? -20.193 -38.059 9.555 1.00 82.82 ? 260 ARG A CD 1 +ATOM 1871 N NE . ARG A 1 239 ? -21.552 -37.992 9.038 1.00 82.97 ? 260 ARG A NE 1 +ATOM 1872 C CZ . ARG A 1 239 ? -21.888 -38.280 7.783 1.00 82.45 ? 260 ARG A CZ 1 +ATOM 1873 N NH1 . ARG A 1 239 ? -20.954 -38.661 6.916 1.00 81.93 ? 260 ARG A NH1 1 +ATOM 1874 N NH2 . ARG A 1 239 ? -23.158 -38.184 7.396 1.00 81.55 ? 260 ARG A NH2 1 +ATOM 1875 N N . LEU A 1 240 ? -16.325 -37.672 12.685 1.00 84.12 ? 261 LEU A N 1 +ATOM 1876 C CA . LEU A 1 240 ? -14.911 -37.608 13.022 1.00 83.22 ? 261 LEU A CA 1 +ATOM 1877 C C . LEU A 1 240 ? -14.490 -37.006 14.350 1.00 82.87 ? 261 LEU A C 1 +ATOM 1878 O O . LEU A 1 240 ? -13.290 -36.875 14.613 1.00 82.44 ? 261 LEU A O 1 +ATOM 1879 C CB . LEU A 1 240 ? -14.117 -36.991 11.866 1.00 82.70 ? 261 LEU A CB 1 +ATOM 1880 C CG . LEU A 1 240 ? -13.995 -37.980 10.689 1.00 81.52 ? 261 LEU A CG 1 +ATOM 1881 C CD1 . LEU A 1 240 ? -12.691 -37.732 9.959 1.00 81.05 ? 261 LEU A CD1 1 +ATOM 1882 C CD2 . LEU A 1 240 ? -14.018 -39.430 11.192 1.00 80.73 ? 261 LEU A CD2 1 +ATOM 1883 N N . GLU A 1 241 ? -15.453 -36.643 15.197 1.00 82.93 ? 262 GLU A N 1 +ATOM 1884 C CA . GLU A 1 241 ? -15.084 -36.150 16.520 1.00 83.07 ? 262 GLU A CA 1 +ATOM 1885 C C . GLU A 1 241 ? -14.904 -37.386 17.387 1.00 83.07 ? 262 GLU A C 1 +ATOM 1886 O O . GLU A 1 241 ? -15.131 -37.371 18.599 1.00 82.73 ? 262 GLU A O 1 +ATOM 1887 C CB . GLU A 1 241 ? -16.139 -35.209 17.102 1.00 82.58 ? 262 GLU A CB 1 +ATOM 1888 C CG . GLU A 1 241 ? -15.888 -33.770 16.693 1.00 82.75 ? 262 GLU A CG 1 +ATOM 1889 C CD . GLU A 1 241 ? -14.444 -33.309 16.952 1.00 83.44 ? 262 GLU A CD 1 +ATOM 1890 O OE1 . GLU A 1 241 ? -13.487 -34.028 16.579 1.00 82.79 ? 262 GLU A OE1 1 +ATOM 1891 O OE2 . GLU A 1 241 ? -14.265 -32.209 17.519 1.00 83.85 ? 262 GLU A OE2 1 +ATOM 1892 N N . ASP A 1 242 ? -14.488 -38.452 16.702 1.00 83.34 ? 263 ASP A N 1 +ATOM 1893 C CA . ASP A 1 242 ? -14.208 -39.762 17.238 1.00 83.10 ? 263 ASP A CA 1 +ATOM 1894 C C . ASP A 1 242 ? -12.805 -40.171 16.785 1.00 83.41 ? 263 ASP A C 1 +ATOM 1895 O O . ASP A 1 242 ? -12.174 -41.063 17.365 1.00 83.70 ? 263 ASP A O 1 +ATOM 1896 C CB . ASP A 1 242 ? -15.273 -40.783 16.789 1.00 82.31 ? 263 ASP A CB 1 +ATOM 1897 C CG . ASP A 1 242 ? -15.309 -40.991 15.302 1.00 82.43 ? 263 ASP A CG 1 +ATOM 1898 O OD1 . ASP A 1 242 ? -16.296 -41.591 14.820 1.00 81.52 ? 263 ASP A OD1 1 +ATOM 1899 O OD2 . ASP A 1 242 ? -14.361 -40.571 14.626 1.00 82.28 ? 263 ASP A OD2 1 +ATOM 1900 N N . THR A 1 243 ? -12.338 -39.511 15.718 1.00 83.18 ? 264 THR A N 1 +ATOM 1901 C CA . THR A 1 243 ? -10.973 -39.723 15.136 1.00 83.31 ? 264 THR A CA 1 +ATOM 1902 C C . THR A 1 243 ? -10.776 -40.994 14.351 1.00 83.51 ? 264 THR A C 1 +ATOM 1903 O O . THR A 1 243 ? -11.715 -41.628 13.875 1.00 83.06 ? 264 THR A O 1 +ATOM 1904 C CB . THR A 1 243 ? -9.899 -39.621 16.243 1.00 83.47 ? 264 THR A CB 1 +ATOM 1905 O OG1 . THR A 1 243 ? -10.197 -38.524 17.117 1.00 84.32 ? 264 THR A OG1 1 +ATOM 1906 C CG2 . THR A 1 243 ? -8.516 -39.442 15.626 1.00 82.99 ? 264 THR A CG2 1 +ATOM 1907 N N . GLN A 1 244 ? -9.500 -41.353 14.189 1.00 83.86 ? 265 GLN A N 1 +ATOM 1908 C CA . GLN A 1 244 ? -9.166 -42.655 13.648 1.00 84.06 ? 265 GLN A CA 1 +ATOM 1909 C C . GLN A 1 244 ? -9.846 -43.035 12.372 1.00 84.22 ? 265 GLN A C 1 +ATOM 1910 O O . GLN A 1 244 ? -10.899 -43.669 12.431 1.00 83.72 ? 265 GLN A O 1 +ATOM 1911 C CB . GLN A 1 244 ? -9.692 -43.778 14.562 1.00 84.09 ? 265 GLN A CB 1 +ATOM 1912 C CG . GLN A 1 244 ? -9.201 -45.127 14.151 1.00 83.83 ? 265 GLN A CG 1 +ATOM 1913 C CD . GLN A 1 244 ? -7.896 -45.229 14.817 1.00 84.70 ? 265 GLN A CD 1 +ATOM 1914 O OE1 . GLN A 1 244 ? -7.804 -45.192 16.047 1.00 84.52 ? 265 GLN A OE1 1 +ATOM 1915 N NE2 . GLN A 1 244 ? -6.714 -45.365 14.224 1.00 84.59 ? 265 GLN A NE2 1 +ATOM 1916 N N . LYS A 1 245 ? -9.310 -42.733 11.206 1.00 84.33 ? 266 LYS A N 1 +ATOM 1917 C CA . LYS A 1 245 ? -9.967 -43.023 9.892 1.00 84.17 ? 266 LYS A CA 1 +ATOM 1918 C C . LYS A 1 245 ? -10.769 -41.820 9.442 1.00 83.84 ? 266 LYS A C 1 +ATOM 1919 O O . LYS A 1 245 ? -11.807 -41.465 10.011 1.00 83.85 ? 266 LYS A O 1 +ATOM 1920 C CB . LYS A 1 245 ? -10.837 -44.300 9.896 1.00 84.12 ? 266 LYS A CB 1 +ATOM 1921 C CG . LYS A 1 245 ? -10.108 -45.572 10.332 1.00 84.84 ? 266 LYS A CG 1 +ATOM 1922 C CD . LYS A 1 245 ? -9.627 -46.425 9.171 1.00 83.98 ? 266 LYS A CD 1 +ATOM 1923 C CE . LYS A 1 245 ? -8.880 -47.646 9.670 1.00 83.25 ? 266 LYS A CE 1 +ATOM 1924 N NZ . LYS A 1 245 ? -8.482 -48.549 8.554 1.00 81.90 ? 266 LYS A NZ 1 +ATOM 1925 N N . HIS A 1 246 ? -10.268 -41.204 8.397 1.00 83.72 ? 267 HIS A N 1 +ATOM 1926 C CA . HIS A 1 246 ? -10.873 -40.026 7.803 1.00 83.73 ? 267 HIS A CA 1 +ATOM 1927 C C . HIS A 1 246 ? -10.817 -40.178 6.285 1.00 83.25 ? 267 HIS A C 1 +ATOM 1928 O O . HIS A 1 246 ? -9.939 -40.876 5.767 1.00 83.00 ? 267 HIS A O 1 +ATOM 1929 C CB . HIS A 1 246 ? -10.158 -38.757 8.265 1.00 84.38 ? 267 HIS A CB 1 +ATOM 1930 C CG . HIS A 1 246 ? -9.582 -37.949 7.093 1.00 84.83 ? 267 HIS A CG 1 +ATOM 1931 N ND1 . HIS A 1 246 ? -10.386 -37.207 6.252 1.00 84.58 ? 267 HIS A ND1 1 +ATOM 1932 C CD2 . HIS A 1 246 ? -8.310 -37.757 6.663 1.00 84.91 ? 267 HIS A CD2 1 +ATOM 1933 C CE1 . HIS A 1 246 ? -9.632 -36.588 5.360 1.00 84.41 ? 267 HIS A CE1 1 +ATOM 1934 N NE2 . HIS A 1 246 ? -8.370 -36.904 5.586 1.00 84.45 ? 267 HIS A NE2 1 +ATOM 1935 N N . ARG A 1 247 ? -11.746 -39.551 5.567 1.00 82.51 ? 268 ARG A N 1 +ATOM 1936 C CA . ARG A 1 247 ? -11.713 -39.644 4.106 1.00 81.49 ? 268 ARG A CA 1 +ATOM 1937 C C . ARG A 1 247 ? -11.520 -38.281 3.465 1.00 80.44 ? 268 ARG A C 1 +ATOM 1938 O O . ARG A 1 247 ? -12.420 -37.447 3.478 1.00 80.75 ? 268 ARG A O 1 +ATOM 1939 C CB . ARG A 1 247 ? -12.970 -40.347 3.576 1.00 81.48 ? 268 ARG A CB 1 +ATOM 1940 C CG . ARG A 1 247 ? -12.778 -41.870 3.511 1.00 81.35 ? 268 ARG A CG 1 +ATOM 1941 C CD . ARG A 1 247 ? -14.044 -42.642 3.172 1.00 80.95 ? 268 ARG A CD 1 +ATOM 1942 N NE . ARG A 1 247 ? -14.855 -42.942 4.354 1.00 81.01 ? 268 ARG A NE 1 +ATOM 1943 C CZ . ARG A 1 247 ? -15.576 -42.048 5.027 1.00 81.13 ? 268 ARG A CZ 1 +ATOM 1944 N NH1 . ARG A 1 247 ? -15.597 -40.777 4.642 1.00 80.89 ? 268 ARG A NH1 1 +ATOM 1945 N NH2 . ARG A 1 247 ? -16.285 -42.428 6.086 1.00 81.32 ? 268 ARG A NH2 1 +ATOM 1946 N N . VAL A 1 248 ? -10.325 -38.084 2.906 1.00 79.41 ? 269 VAL A N 1 +ATOM 1947 C CA . VAL A 1 248 ? -9.902 -36.831 2.278 1.00 78.32 ? 269 VAL A CA 1 +ATOM 1948 C C . VAL A 1 248 ? -10.909 -36.123 1.368 1.00 77.02 ? 269 VAL A C 1 +ATOM 1949 O O . VAL A 1 248 ? -10.750 -36.066 0.146 1.00 77.30 ? 269 VAL A O 1 +ATOM 1950 C CB . VAL A 1 248 ? -8.548 -37.025 1.520 1.00 78.85 ? 269 VAL A CB 1 +ATOM 1951 C CG1 . VAL A 1 248 ? -8.720 -37.998 0.340 1.00 79.03 ? 269 VAL A CG1 1 +ATOM 1952 C CG2 . VAL A 1 248 ? -8.005 -35.667 1.064 1.00 79.33 ? 269 VAL A CG2 1 +ATOM 1953 N N . ASP A 1 249 ? -11.936 -35.561 1.994 1.00 74.71 ? 270 ASP A N 1 +ATOM 1954 C CA . ASP A 1 249 ? -12.979 -34.830 1.295 1.00 72.12 ? 270 ASP A CA 1 +ATOM 1955 C C . ASP A 1 249 ? -12.770 -33.356 1.606 1.00 70.01 ? 270 ASP A C 1 +ATOM 1956 O O . ASP A 1 249 ? -11.922 -33.007 2.424 1.00 69.03 ? 270 ASP A O 1 +ATOM 1957 C CB . ASP A 1 249 ? -14.348 -35.296 1.784 1.00 72.15 ? 270 ASP A CB 1 +ATOM 1958 C CG . ASP A 1 249 ? -14.504 -35.168 3.288 1.00 73.04 ? 270 ASP A CG 1 +ATOM 1959 O OD1 . ASP A 1 249 ? -15.081 -36.089 3.903 1.00 73.06 ? 270 ASP A OD1 1 +ATOM 1960 O OD2 . ASP A 1 249 ? -14.059 -34.149 3.859 1.00 72.80 ? 270 ASP A OD2 1 +ATOM 1961 N N . PHE A 1 250 ? -13.543 -32.491 0.964 1.00 68.02 ? 271 PHE A N 1 +ATOM 1962 C CA . PHE A 1 250 ? -13.388 -31.064 1.187 1.00 66.43 ? 271 PHE A CA 1 +ATOM 1963 C C . PHE A 1 250 ? -13.680 -30.669 2.629 1.00 66.12 ? 271 PHE A C 1 +ATOM 1964 O O . PHE A 1 250 ? -12.895 -29.941 3.239 1.00 65.41 ? 271 PHE A O 1 +ATOM 1965 C CB . PHE A 1 250 ? -14.275 -30.290 0.212 1.00 65.29 ? 271 PHE A CB 1 +ATOM 1966 C CG . PHE A 1 250 ? -13.889 -30.483 -1.229 1.00 63.99 ? 271 PHE A CG 1 +ATOM 1967 C CD1 . PHE A 1 250 ? -12.666 -30.013 -1.702 1.00 63.40 ? 271 PHE A CD1 1 +ATOM 1968 C CD2 . PHE A 1 250 ? -14.730 -31.171 -2.107 1.00 63.45 ? 271 PHE A CD2 1 +ATOM 1969 C CE1 . PHE A 1 250 ? -12.287 -30.228 -3.026 1.00 62.90 ? 271 PHE A CE1 1 +ATOM 1970 C CE2 . PHE A 1 250 ? -14.357 -31.390 -3.432 1.00 62.89 ? 271 PHE A CE2 1 +ATOM 1971 C CZ . PHE A 1 250 ? -13.134 -30.918 -3.889 1.00 62.55 ? 271 PHE A CZ 1 +ATOM 1972 N N . LEU A 1 251 ? -14.792 -31.157 3.177 1.00 66.07 ? 272 LEU A N 1 +ATOM 1973 C CA . LEU A 1 251 ? -15.161 -30.849 4.563 1.00 66.41 ? 272 LEU A CA 1 +ATOM 1974 C C . LEU A 1 251 ? -14.012 -31.155 5.521 1.00 66.64 ? 272 LEU A C 1 +ATOM 1975 O O . LEU A 1 251 ? -13.609 -30.300 6.320 1.00 66.37 ? 272 LEU A O 1 +ATOM 1976 C CB . LEU A 1 251 ? -16.411 -31.639 4.977 1.00 66.10 ? 272 LEU A CB 1 +ATOM 1977 C CG . LEU A 1 251 ? -16.862 -31.618 6.452 1.00 65.93 ? 272 LEU A CG 1 +ATOM 1978 C CD1 . LEU A 1 251 ? -16.814 -30.206 7.027 1.00 64.48 ? 272 LEU A CD1 1 +ATOM 1979 C CD2 . LEU A 1 251 ? -18.276 -32.186 6.540 1.00 65.41 ? 272 LEU A CD2 1 +ATOM 1980 N N . GLN A 1 252 ? -13.485 -32.375 5.437 1.00 67.09 ? 273 GLN A N 1 +ATOM 1981 C CA . GLN A 1 252 ? -12.381 -32.764 6.291 1.00 67.05 ? 273 GLN A CA 1 +ATOM 1982 C C . GLN A 1 252 ? -11.215 -31.837 6.035 1.00 66.98 ? 273 GLN A C 1 +ATOM 1983 O O . GLN A 1 252 ? -10.601 -31.344 6.973 1.00 67.24 ? 273 GLN A O 1 +ATOM 1984 C CB . GLN A 1 252 ? -11.971 -34.214 6.037 1.00 67.75 ? 273 GLN A CB 1 +ATOM 1985 C CG . GLN A 1 252 ? -12.583 -35.183 7.030 1.00 67.86 ? 273 GLN A CG 1 +ATOM 1986 C CD . GLN A 1 252 ? -12.212 -34.842 8.469 1.00 68.29 ? 273 GLN A CD 1 +ATOM 1987 O OE1 . GLN A 1 252 ? -13.048 -34.911 9.373 1.00 68.48 ? 273 GLN A OE1 1 +ATOM 1988 N NE2 . GLN A 1 252 ? -10.959 -34.473 8.684 1.00 66.77 ? 273 GLN A NE2 1 +ATOM 1989 N N . LEU A 1 253 ? -10.912 -31.591 4.765 1.00 67.14 ? 274 LEU A N 1 +ATOM 1990 C CA . LEU A 1 253 ? -9.819 -30.689 4.436 1.00 67.76 ? 274 LEU A CA 1 +ATOM 1991 C C . LEU A 1 253 ? -10.113 -29.313 5.046 1.00 68.86 ? 274 LEU A C 1 +ATOM 1992 O O . LEU A 1 253 ? -9.192 -28.575 5.400 1.00 68.94 ? 274 LEU A O 1 +ATOM 1993 C CB . LEU A 1 253 ? -9.654 -30.567 2.917 1.00 66.99 ? 274 LEU A CB 1 +ATOM 1994 C CG . LEU A 1 253 ? -8.938 -31.706 2.179 1.00 67.41 ? 274 LEU A CG 1 +ATOM 1995 C CD1 . LEU A 1 253 ? -9.036 -31.486 0.673 1.00 66.16 ? 274 LEU A CD1 1 +ATOM 1996 C CD2 . LEU A 1 253 ? -7.477 -31.762 2.616 1.00 65.27 ? 274 LEU A CD2 1 +ATOM 1997 N N . MET A 1 254 ? -11.399 -28.978 5.167 1.00 68.55 ? 275 MET A N 1 +ATOM 1998 C CA . MET A 1 254 ? -11.805 -27.696 5.739 1.00 69.37 ? 275 MET A CA 1 +ATOM 1999 C C . MET A 1 254 ? -11.764 -27.773 7.259 1.00 70.12 ? 275 MET A C 1 +ATOM 2000 O O . MET A 1 254 ? -11.405 -26.805 7.938 1.00 69.42 ? 275 MET A O 1 +ATOM 2001 C CB . MET A 1 254 ? -13.221 -27.318 5.283 1.00 67.94 ? 275 MET A CB 1 +ATOM 2002 C CG . MET A 1 254 ? -13.391 -27.244 3.773 1.00 68.06 ? 275 MET A CG 1 +ATOM 2003 S SD . MET A 1 254 ? -14.693 -26.109 3.277 1.00 65.42 ? 275 MET A SD 1 +ATOM 2004 C CE . MET A 1 254 ? -13.798 -24.594 3.459 1.00 65.59 ? 275 MET A CE 1 +ATOM 2005 N N . ILE A 1 255 ? -12.148 -28.932 7.785 1.00 70.86 ? 276 ILE A N 1 +ATOM 2006 C CA . ILE A 1 255 ? -12.140 -29.149 9.220 1.00 72.30 ? 276 ILE A CA 1 +ATOM 2007 C C . ILE A 1 255 ? -10.709 -29.182 9.720 1.00 73.50 ? 276 ILE A C 1 +ATOM 2008 O O . ILE A 1 255 ? -10.329 -28.419 10.602 1.00 73.62 ? 276 ILE A O 1 +ATOM 2009 C CB . ILE A 1 255 ? -12.825 -30.470 9.585 1.00 71.51 ? 276 ILE A CB 1 +ATOM 2010 C CG1 . ILE A 1 255 ? -14.345 -30.280 9.565 1.00 71.41 ? 276 ILE A CG1 1 +ATOM 2011 C CG2 . ILE A 1 255 ? -12.328 -30.955 10.942 1.00 71.65 ? 276 ILE A CG2 1 +ATOM 2012 C CD1 . ILE A 1 255 ? -15.144 -31.548 9.823 1.00 71.07 ? 276 ILE A CD1 1 +ATOM 2013 N N . ASP A 1 256 ? -9.910 -30.070 9.150 1.00 75.51 ? 277 ASP A N 1 +ATOM 2014 C CA . ASP A 1 256 ? -8.523 -30.179 9.560 1.00 77.72 ? 277 ASP A CA 1 +ATOM 2015 C C . ASP A 1 256 ? -7.773 -28.882 9.295 1.00 79.08 ? 277 ASP A C 1 +ATOM 2016 O O . ASP A 1 256 ? -6.926 -28.482 10.085 1.00 79.72 ? 277 ASP A O 1 +ATOM 2017 C CB . ASP A 1 256 ? -7.847 -31.348 8.847 1.00 77.75 ? 277 ASP A CB 1 +ATOM 2018 C CG . ASP A 1 256 ? -8.357 -32.694 9.333 1.00 78.35 ? 277 ASP A CG 1 +ATOM 2019 O OD1 . ASP A 1 256 ? -8.336 -32.929 10.563 1.00 78.38 ? 277 ASP A OD1 1 +ATOM 2020 O OD2 . ASP A 1 256 ? -8.774 -33.516 8.490 1.00 77.94 ? 277 ASP A OD2 1 +ATOM 2021 N N . SER A 1 257 ? -8.085 -28.221 8.187 1.00 80.35 ? 278 SER A N 1 +ATOM 2022 C CA . SER A 1 257 ? -7.428 -26.956 7.873 1.00 81.36 ? 278 SER A CA 1 +ATOM 2023 C C . SER A 1 257 ? -7.683 -26.016 9.046 1.00 82.17 ? 278 SER A C 1 +ATOM 2024 O O . SER A 1 257 ? -6.844 -25.190 9.406 1.00 82.56 ? 278 SER A O 1 +ATOM 2025 C CB . SER A 1 257 ? -8.013 -26.349 6.593 1.00 81.63 ? 278 SER A CB 1 +ATOM 2026 O OG . SER A 1 257 ? -9.415 -26.145 6.707 1.00 80.95 ? 278 SER A OG 1 +ATOM 2027 N N . GLN A 1 258 ? -8.862 -26.156 9.636 1.00 82.47 ? 279 GLN A N 1 +ATOM 2028 C CA . GLN A 1 258 ? -9.249 -25.334 10.766 1.00 83.44 ? 279 GLN A CA 1 +ATOM 2029 C C . GLN A 1 258 ? -8.317 -25.663 11.922 1.00 84.75 ? 279 GLN A C 1 +ATOM 2030 O O . GLN A 1 258 ? -7.562 -24.809 12.399 1.00 84.55 ? 279 GLN A O 1 +ATOM 2031 C CB . GLN A 1 258 ? -10.691 -25.651 11.155 1.00 82.15 ? 279 GLN A CB 1 +ATOM 2032 C CG . GLN A 1 258 ? -11.652 -24.485 11.068 1.00 80.14 ? 279 GLN A CG 1 +ATOM 2033 C CD . GLN A 1 258 ? -13.083 -24.931 11.218 1.00 78.86 ? 279 GLN A CD 1 +ATOM 2034 O OE1 . GLN A 1 258 ? -13.980 -24.124 11.458 1.00 79.01 ? 279 GLN A OE1 1 +ATOM 2035 N NE2 . GLN A 1 258 ? -13.310 -26.229 11.067 1.00 78.32 ? 279 GLN A NE2 1 +ATOM 2036 N N . ASN A 1 259 ? -8.378 -26.926 12.342 1.00 85.96 ? 280 ASN A N 1 +ATOM 2037 C CA . ASN A 1 259 ? -7.578 -27.446 13.447 1.00 86.85 ? 280 ASN A CA 1 +ATOM 2038 C C . ASN A 1 259 ? -6.081 -27.477 13.118 1.00 87.16 ? 280 ASN A C 1 +ATOM 2039 O O . ASN A 1 259 ? -5.520 -28.541 12.854 1.00 87.32 ? 280 ASN A O 1 +ATOM 2040 C CB . ASN A 1 259 ? -8.054 -28.864 13.812 1.00 86.99 ? 280 ASN A CB 1 +ATOM 2041 C CG . ASN A 1 259 ? -9.580 -28.973 13.924 1.00 86.90 ? 280 ASN A CG 1 +ATOM 2042 O OD1 . ASN A 1 259 ? -10.226 -28.210 14.648 1.00 86.54 ? 280 ASN A OD1 1 +ATOM 2043 N ND2 . ASN A 1 259 ? -10.155 -29.935 13.207 1.00 86.68 ? 280 ASN A ND2 1 +ATOM 2044 N N . SER A 1 260 ? -5.446 -26.305 13.140 1.00 87.60 ? 281 SER A N 1 +ATOM 2045 C CA . SER A 1 260 ? -4.017 -26.169 12.854 1.00 87.65 ? 281 SER A CA 1 +ATOM 2046 C C . SER A 1 260 ? -3.648 -26.674 11.465 1.00 87.31 ? 281 SER A C 1 +ATOM 2047 O O . SER A 1 260 ? -2.485 -26.620 11.063 1.00 87.21 ? 281 SER A O 1 +ATOM 2048 C CB . SER A 1 260 ? -3.185 -26.915 13.907 1.00 88.24 ? 281 SER A CB 1 +ATOM 2049 O OG . SER A 1 260 ? -3.365 -28.321 13.822 1.00 88.57 ? 281 SER A OG 1 +ATOM 2050 N N . SER A 1 265 ? -0.565 -17.019 6.643 1.00 79.01 ? 286 SER A N 1 +ATOM 2051 C CA . SER A 1 265 ? -0.867 -15.738 7.270 1.00 79.10 ? 286 SER A CA 1 +ATOM 2052 C C . SER A 1 265 ? -2.281 -15.763 7.879 1.00 79.69 ? 286 SER A C 1 +ATOM 2053 O O . SER A 1 265 ? -2.550 -16.557 8.784 1.00 80.15 ? 286 SER A O 1 +ATOM 2054 C CB . SER A 1 265 ? -0.748 -14.620 6.232 1.00 77.94 ? 286 SER A CB 1 +ATOM 2055 O OG . SER A 1 265 ? -0.734 -13.346 6.850 1.00 77.32 ? 286 SER A OG 1 +ATOM 2056 N N . HIS A 1 266 ? -3.167 -14.893 7.385 1.00 79.62 ? 287 HIS A N 1 +ATOM 2057 C CA . HIS A 1 266 ? -4.564 -14.794 7.841 1.00 79.22 ? 287 HIS A CA 1 +ATOM 2058 C C . HIS A 1 266 ? -5.296 -16.141 7.771 1.00 79.13 ? 287 HIS A C 1 +ATOM 2059 O O . HIS A 1 266 ? -5.376 -16.744 6.699 1.00 79.77 ? 287 HIS A O 1 +ATOM 2060 C CB . HIS A 1 266 ? -5.314 -13.762 6.979 1.00 78.76 ? 287 HIS A CB 1 +ATOM 2061 C CG . HIS A 1 266 ? -5.006 -13.858 5.513 1.00 78.01 ? 287 HIS A CG 1 +ATOM 2062 N ND1 . HIS A 1 266 ? -5.205 -15.010 4.781 1.00 77.47 ? 287 HIS A ND1 1 +ATOM 2063 C CD2 . HIS A 1 266 ? -4.480 -12.954 4.652 1.00 77.45 ? 287 HIS A CD2 1 +ATOM 2064 C CE1 . HIS A 1 266 ? -4.810 -14.813 3.536 1.00 77.39 ? 287 HIS A CE1 1 +ATOM 2065 N NE2 . HIS A 1 266 ? -4.367 -13.573 3.430 1.00 77.09 ? 287 HIS A NE2 1 +ATOM 2066 N N . LYS A 1 267 ? -5.848 -16.607 8.893 1.00 78.27 ? 288 LYS A N 1 +ATOM 2067 C CA . LYS A 1 267 ? -6.535 -17.901 8.891 1.00 77.57 ? 288 LYS A CA 1 +ATOM 2068 C C . LYS A 1 267 ? -7.749 -18.033 9.800 1.00 76.46 ? 288 LYS A C 1 +ATOM 2069 O O . LYS A 1 267 ? -8.342 -17.043 10.211 1.00 75.78 ? 288 LYS A O 1 +ATOM 2070 C CB . LYS A 1 267 ? -5.538 -19.015 9.238 1.00 78.34 ? 288 LYS A CB 1 +ATOM 2071 C CG . LYS A 1 267 ? -4.744 -18.773 10.526 1.00 78.89 ? 288 LYS A CG 1 +ATOM 2072 C CD . LYS A 1 267 ? -4.171 -20.068 11.100 1.00 79.11 ? 288 LYS A CD 1 +ATOM 2073 C CE . LYS A 1 267 ? -5.274 -20.961 11.665 1.00 79.00 ? 288 LYS A CE 1 +ATOM 2074 N NZ . LYS A 1 267 ? -6.030 -20.282 12.754 1.00 78.80 ? 288 LYS A NZ 1 +ATOM 2075 N N . ALA A 1 268 ? -8.102 -19.283 10.094 1.00 75.45 ? 289 ALA A N 1 +ATOM 2076 C CA . ALA A 1 268 ? -9.225 -19.625 10.958 1.00 74.84 ? 289 ALA A CA 1 +ATOM 2077 C C . ALA A 1 268 ? -10.581 -19.459 10.282 1.00 74.52 ? 289 ALA A C 1 +ATOM 2078 O O . ALA A 1 268 ? -11.217 -18.417 10.407 1.00 74.09 ? 289 ALA A O 1 +ATOM 2079 C CB . ALA A 1 268 ? -9.177 -18.789 12.216 1.00 75.40 ? 289 ALA A CB 1 +ATOM 2080 N N . LEU A 1 269 ? -11.033 -20.491 9.579 1.00 73.57 ? 290 LEU A N 1 +ATOM 2081 C CA . LEU A 1 269 ? -12.321 -20.412 8.907 1.00 73.54 ? 290 LEU A CA 1 +ATOM 2082 C C . LEU A 1 269 ? -13.493 -20.554 9.861 1.00 73.33 ? 290 LEU A C 1 +ATOM 2083 O O . LEU A 1 269 ? -13.654 -21.578 10.528 1.00 73.90 ? 290 LEU A O 1 +ATOM 2084 C CB . LEU A 1 269 ? -12.431 -21.467 7.803 1.00 73.07 ? 290 LEU A CB 1 +ATOM 2085 C CG . LEU A 1 269 ? -12.046 -20.953 6.411 1.00 72.75 ? 290 LEU A CG 1 +ATOM 2086 C CD1 . LEU A 1 269 ? -12.008 -22.094 5.416 1.00 72.61 ? 290 LEU A CD1 1 +ATOM 2087 C CD2 . LEU A 1 269 ? -13.057 -19.898 5.974 1.00 72.45 ? 290 LEU A CD2 1 +ATOM 2088 N N . SER A 1 270 ? -14.303 -19.502 9.921 1.00 72.72 ? 291 SER A N 1 +ATOM 2089 C CA . SER A 1 270 ? -15.485 -19.471 10.767 1.00 71.56 ? 291 SER A CA 1 +ATOM 2090 C C . SER A 1 270 ? -16.373 -20.661 10.432 1.00 70.42 ? 291 SER A C 1 +ATOM 2091 O O . SER A 1 270 ? -16.653 -20.926 9.273 1.00 70.06 ? 291 SER A O 1 +ATOM 2092 C CB . SER A 1 270 ? -16.252 -18.167 10.534 1.00 71.22 ? 291 SER A CB 1 +ATOM 2093 O OG . SER A 1 270 ? -17.465 -18.158 11.259 1.00 71.93 ? 291 SER A OG 1 +ATOM 2094 N N . ASP A 1 271 ? -16.815 -21.386 11.448 1.00 70.00 ? 292 ASP A N 1 +ATOM 2095 C CA . ASP A 1 271 ? -17.662 -22.538 11.200 1.00 69.49 ? 292 ASP A CA 1 +ATOM 2096 C C . ASP A 1 271 ? -18.774 -22.148 10.241 1.00 67.98 ? 292 ASP A C 1 +ATOM 2097 O O . ASP A 1 271 ? -19.302 -22.983 9.507 1.00 66.91 ? 292 ASP A O 1 +ATOM 2098 C CB . ASP A 1 271 ? -18.243 -23.056 12.513 1.00 71.10 ? 292 ASP A CB 1 +ATOM 2099 C CG . ASP A 1 271 ? -17.162 -23.479 13.496 1.00 73.09 ? 292 ASP A CG 1 +ATOM 2100 O OD1 . ASP A 1 271 ? -17.518 -24.069 14.541 1.00 74.13 ? 292 ASP A OD1 1 +ATOM 2101 O OD2 . ASP A 1 271 ? -15.962 -23.215 13.222 1.00 72.20 ? 292 ASP A OD2 1 +ATOM 2102 N N . LEU A 1 272 ? -19.127 -20.870 10.245 1.00 66.26 ? 293 LEU A N 1 +ATOM 2103 C CA . LEU A 1 272 ? -20.170 -20.399 9.351 1.00 64.97 ? 293 LEU A CA 1 +ATOM 2104 C C . LEU A 1 272 ? -19.557 -20.251 7.964 1.00 63.09 ? 293 LEU A C 1 +ATOM 2105 O O . LEU A 1 272 ? -20.161 -20.633 6.962 1.00 63.20 ? 293 LEU A O 1 +ATOM 2106 C CB . LEU A 1 272 ? -20.736 -19.057 9.825 1.00 64.52 ? 293 LEU A CB 1 +ATOM 2107 C CG . LEU A 1 272 ? -22.094 -18.709 9.212 1.00 64.02 ? 293 LEU A CG 1 +ATOM 2108 C CD1 . LEU A 1 272 ? -23.028 -19.898 9.346 1.00 63.71 ? 293 LEU A CD1 1 +ATOM 2109 C CD2 . LEU A 1 272 ? -22.671 -17.478 9.898 1.00 64.84 ? 293 LEU A CD2 1 +ATOM 2110 N N . GLU A 1 273 ? -18.354 -19.694 7.908 1.00 60.99 ? 294 GLU A N 1 +ATOM 2111 C CA . GLU A 1 273 ? -17.685 -19.540 6.631 1.00 59.60 ? 294 GLU A CA 1 +ATOM 2112 C C . GLU A 1 273 ? -17.632 -20.926 6.001 1.00 58.70 ? 294 GLU A C 1 +ATOM 2113 O O . GLU A 1 273 ? -18.230 -21.161 4.949 1.00 57.45 ? 294 GLU A O 1 +ATOM 2114 C CB . GLU A 1 273 ? -16.273 -18.979 6.822 1.00 59.30 ? 294 GLU A CB 1 +ATOM 2115 C CG . GLU A 1 273 ? -16.256 -17.549 7.342 1.00 61.34 ? 294 GLU A CG 1 +ATOM 2116 C CD . GLU A 1 273 ? -14.860 -16.951 7.417 1.00 62.66 ? 294 GLU A CD 1 +ATOM 2117 O OE1 . GLU A 1 273 ? -13.958 -17.614 7.969 1.00 63.83 ? 294 GLU A OE1 1 +ATOM 2118 O OE2 . GLU A 1 273 ? -14.664 -15.812 6.934 1.00 62.94 ? 294 GLU A OE2 1 +ATOM 2119 N N . LEU A 1 274 ? -16.940 -21.845 6.676 1.00 57.40 ? 295 LEU A N 1 +ATOM 2120 C CA . LEU A 1 274 ? -16.794 -23.217 6.211 1.00 54.82 ? 295 LEU A CA 1 +ATOM 2121 C C . LEU A 1 274 ? -18.111 -23.773 5.645 1.00 53.74 ? 295 LEU A C 1 +ATOM 2122 O O . LEU A 1 274 ? -18.119 -24.405 4.591 1.00 54.10 ? 295 LEU A O 1 +ATOM 2123 C CB . LEU A 1 274 ? -16.284 -24.083 7.365 1.00 54.54 ? 295 LEU A CB 1 +ATOM 2124 C CG . LEU A 1 274 ? -16.117 -25.591 7.181 1.00 54.12 ? 295 LEU A CG 1 +ATOM 2125 C CD1 . LEU A 1 274 ? -15.447 -26.151 8.419 1.00 55.37 ? 295 LEU A CD1 1 +ATOM 2126 C CD2 . LEU A 1 274 ? -17.453 -26.268 6.965 1.00 52.11 ? 295 LEU A CD2 1 +ATOM 2127 N N . VAL A 1 275 ? -19.219 -23.544 6.337 1.00 51.31 ? 296 VAL A N 1 +ATOM 2128 C CA . VAL A 1 275 ? -20.506 -24.022 5.856 1.00 50.44 ? 296 VAL A CA 1 +ATOM 2129 C C . VAL A 1 275 ? -20.841 -23.309 4.542 1.00 49.61 ? 296 VAL A C 1 +ATOM 2130 O O . VAL A 1 275 ? -21.439 -23.896 3.634 1.00 49.24 ? 296 VAL A O 1 +ATOM 2131 C CB . VAL A 1 275 ? -21.626 -23.763 6.898 1.00 51.32 ? 296 VAL A CB 1 +ATOM 2132 C CG1 . VAL A 1 275 ? -22.984 -24.127 6.319 1.00 50.81 ? 296 VAL A CG1 1 +ATOM 2133 C CG2 . VAL A 1 275 ? -21.367 -24.582 8.150 1.00 50.66 ? 296 VAL A CG2 1 +ATOM 2134 N N . ALA A 1 276 ? -20.445 -22.041 4.447 1.00 48.23 ? 297 ALA A N 1 +ATOM 2135 C CA . ALA A 1 276 ? -20.675 -21.253 3.246 1.00 46.98 ? 297 ALA A CA 1 +ATOM 2136 C C . ALA A 1 276 ? -19.845 -21.852 2.115 1.00 46.29 ? 297 ALA A C 1 +ATOM 2137 O O . ALA A 1 276 ? -20.326 -21.969 0.997 1.00 43.45 ? 297 ALA A O 1 +ATOM 2138 C CB . ALA A 1 276 ? -20.274 -19.794 3.474 1.00 47.12 ? 297 ALA A CB 1 +ATOM 2139 N N . GLN A 1 277 ? -18.605 -22.240 2.409 1.00 45.89 ? 298 GLN A N 1 +ATOM 2140 C CA . GLN A 1 277 ? -17.754 -22.833 1.386 1.00 47.24 ? 298 GLN A CA 1 +ATOM 2141 C C . GLN A 1 277 ? -18.336 -24.143 0.849 1.00 47.66 ? 298 GLN A C 1 +ATOM 2142 O O . GLN A 1 277 ? -18.467 -24.338 -0.369 1.00 47.86 ? 298 GLN A O 1 +ATOM 2143 C CB . GLN A 1 277 ? -16.361 -23.115 1.936 1.00 48.41 ? 298 GLN A CB 1 +ATOM 2144 C CG . GLN A 1 277 ? -15.683 -21.923 2.532 1.00 49.11 ? 298 GLN A CG 1 +ATOM 2145 C CD . GLN A 1 277 ? -15.988 -20.658 1.768 1.00 50.44 ? 298 GLN A CD 1 +ATOM 2146 O OE1 . GLN A 1 277 ? -16.006 -20.649 0.530 1.00 49.90 ? 298 GLN A OE1 1 +ATOM 2147 N NE2 . GLN A 1 277 ? -16.222 -19.572 2.502 1.00 49.09 ? 298 GLN A NE2 1 +ATOM 2148 N N . SER A 1 278 ? -18.672 -25.047 1.764 1.00 47.21 ? 299 SER A N 1 +ATOM 2149 C CA . SER A 1 278 ? -19.208 -26.341 1.388 1.00 44.67 ? 299 SER A CA 1 +ATOM 2150 C C . SER A 1 278 ? -20.392 -26.177 0.437 1.00 44.53 ? 299 SER A C 1 +ATOM 2151 O O . SER A 1 278 ? -20.486 -26.871 -0.584 1.00 43.43 ? 299 SER A O 1 +ATOM 2152 C CB . SER A 1 278 ? -19.644 -27.118 2.642 1.00 46.40 ? 299 SER A CB 1 +ATOM 2153 O OG . SER A 1 278 ? -18.575 -27.250 3.575 1.00 46.22 ? 299 SER A OG 1 +ATOM 2154 N N . ILE A 1 279 ? -21.296 -25.263 0.778 1.00 41.81 ? 300 ILE A N 1 +ATOM 2155 C CA . ILE A 1 279 ? -22.468 -25.006 -0.041 1.00 40.04 ? 300 ILE A CA 1 +ATOM 2156 C C . ILE A 1 279 ? -22.117 -24.447 -1.437 1.00 38.05 ? 300 ILE A C 1 +ATOM 2157 O O . ILE A 1 279 ? -22.669 -24.873 -2.442 1.00 37.70 ? 300 ILE A O 1 +ATOM 2158 C CB . ILE A 1 279 ? -23.406 -24.005 0.675 1.00 41.01 ? 300 ILE A CB 1 +ATOM 2159 C CG1 . ILE A 1 279 ? -24.119 -24.709 1.842 1.00 43.98 ? 300 ILE A CG1 1 +ATOM 2160 C CG2 . ILE A 1 279 ? -24.380 -23.401 -0.314 1.00 40.01 ? 300 ILE A CG2 1 +ATOM 2161 C CD1 . ILE A 1 279 ? -24.922 -23.759 2.762 1.00 44.40 ? 300 ILE A CD1 1 +ATOM 2162 N N . ILE A 1 280 ? -21.206 -23.488 -1.480 1.00 35.93 ? 301 ILE A N 1 +ATOM 2163 C CA . ILE A 1 280 ? -20.831 -22.861 -2.734 1.00 36.40 ? 301 ILE A CA 1 +ATOM 2164 C C . ILE A 1 280 ? -20.107 -23.876 -3.615 1.00 36.48 ? 301 ILE A C 1 +ATOM 2165 O O . ILE A 1 280 ? -20.294 -23.882 -4.811 1.00 35.26 ? 301 ILE A O 1 +ATOM 2166 C CB . ILE A 1 280 ? -19.978 -21.567 -2.482 1.00 32.57 ? 301 ILE A CB 1 +ATOM 2167 C CG1 . ILE A 1 280 ? -20.140 -20.565 -3.635 1.00 33.83 ? 301 ILE A CG1 1 +ATOM 2168 C CG2 . ILE A 1 280 ? -18.498 -21.904 -2.296 1.00 37.15 ? 301 ILE A CG2 1 +ATOM 2169 C CD1 . ILE A 1 280 ? -21.554 -20.058 -3.836 1.00 34.30 ? 301 ILE A CD1 1 +ATOM 2170 N N . PHE A 1 281 ? -19.329 -24.765 -3.013 1.00 37.87 ? 302 PHE A N 1 +ATOM 2171 C CA . PHE A 1 281 ? -18.608 -25.765 -3.795 1.00 37.91 ? 302 PHE A CA 1 +ATOM 2172 C C . PHE A 1 281 ? -19.609 -26.652 -4.483 1.00 36.70 ? 302 PHE A C 1 +ATOM 2173 O O . PHE A 1 281 ? -19.376 -27.101 -5.586 1.00 36.70 ? 302 PHE A O 1 +ATOM 2174 C CB . PHE A 1 281 ? -17.696 -26.615 -2.909 1.00 37.75 ? 302 PHE A CB 1 +ATOM 2175 C CG . PHE A 1 281 ? -16.531 -25.863 -2.340 1.00 38.82 ? 302 PHE A CG 1 +ATOM 2176 C CD1 . PHE A 1 281 ? -16.057 -24.716 -2.961 1.00 38.59 ? 302 PHE A CD1 1 +ATOM 2177 C CD2 . PHE A 1 281 ? -15.877 -26.331 -1.199 1.00 40.33 ? 302 PHE A CD2 1 +ATOM 2178 C CE1 . PHE A 1 281 ? -14.944 -24.034 -2.461 1.00 40.57 ? 302 PHE A CE1 1 +ATOM 2179 C CE2 . PHE A 1 281 ? -14.770 -25.672 -0.688 1.00 40.71 ? 302 PHE A CE2 1 +ATOM 2180 C CZ . PHE A 1 281 ? -14.293 -24.512 -1.323 1.00 41.04 ? 302 PHE A CZ 1 +ATOM 2181 N N . ILE A 1 282 ? -20.735 -26.894 -3.820 1.00 37.69 ? 303 ILE A N 1 +ATOM 2182 C CA . ILE A 1 282 ? -21.800 -27.725 -4.368 1.00 36.21 ? 303 ILE A CA 1 +ATOM 2183 C C . ILE A 1 282 ? -22.475 -26.960 -5.484 1.00 37.17 ? 303 ILE A C 1 +ATOM 2184 O O . ILE A 1 282 ? -22.746 -27.470 -6.588 1.00 36.87 ? 303 ILE A O 1 +ATOM 2185 C CB . ILE A 1 282 ? -22.847 -28.020 -3.299 1.00 37.85 ? 303 ILE A CB 1 +ATOM 2186 C CG1 . ILE A 1 282 ? -22.239 -28.931 -2.235 1.00 38.83 ? 303 ILE A CG1 1 +ATOM 2187 C CG2 . ILE A 1 282 ? -24.106 -28.590 -3.923 1.00 35.14 ? 303 ILE A CG2 1 +ATOM 2188 C CD1 . ILE A 1 282 ? -23.212 -29.299 -1.128 1.00 41.37 ? 303 ILE A CD1 1 +ATOM 2189 N N . PHE A 1 283 ? -22.765 -25.711 -5.175 1.00 35.64 ? 304 PHE A N 1 +ATOM 2190 C CA . PHE A 1 283 ? -23.416 -24.844 -6.120 1.00 35.99 ? 304 PHE A CA 1 +ATOM 2191 C C . PHE A 1 283 ? -22.513 -24.670 -7.363 1.00 34.27 ? 304 PHE A C 1 +ATOM 2192 O O . PHE A 1 283 ? -22.985 -24.664 -8.481 1.00 33.01 ? 304 PHE A O 1 +ATOM 2193 C CB . PHE A 1 283 ? -23.673 -23.515 -5.413 1.00 37.38 ? 304 PHE A CB 1 +ATOM 2194 C CG . PHE A 1 283 ? -24.262 -22.455 -6.276 1.00 38.32 ? 304 PHE A CG 1 +ATOM 2195 C CD1 . PHE A 1 283 ? -25.629 -22.435 -6.543 1.00 40.05 ? 304 PHE A CD1 1 +ATOM 2196 C CD2 . PHE A 1 283 ? -23.460 -21.421 -6.754 1.00 39.66 ? 304 PHE A CD2 1 +ATOM 2197 C CE1 . PHE A 1 283 ? -26.197 -21.384 -7.275 1.00 43.02 ? 304 PHE A CE1 1 +ATOM 2198 C CE2 . PHE A 1 283 ? -24.003 -20.357 -7.488 1.00 42.30 ? 304 PHE A CE2 1 +ATOM 2199 C CZ . PHE A 1 283 ? -25.383 -20.337 -7.749 1.00 43.23 ? 304 PHE A CZ 1 +ATOM 2200 N N . ALA A 1 284 ? -21.213 -24.562 -7.156 1.00 34.36 ? 305 ALA A N 1 +ATOM 2201 C CA . ALA A 1 284 ? -20.295 -24.353 -8.276 1.00 36.33 ? 305 ALA A CA 1 +ATOM 2202 C C . ALA A 1 284 ? -20.091 -25.574 -9.140 1.00 36.61 ? 305 ALA A C 1 +ATOM 2203 O O . ALA A 1 284 ? -19.869 -25.458 -10.351 1.00 38.49 ? 305 ALA A O 1 +ATOM 2204 C CB . ALA A 1 284 ? -18.976 -23.889 -7.776 1.00 35.25 ? 305 ALA A CB 1 +ATOM 2205 N N . GLY A 1 285 ? -20.181 -26.748 -8.537 1.00 36.38 ? 306 GLY A N 1 +ATOM 2206 C CA . GLY A 1 285 ? -19.936 -27.938 -9.314 1.00 36.35 ? 306 GLY A CA 1 +ATOM 2207 C C . GLY A 1 285 ? -21.085 -28.794 -9.727 1.00 34.92 ? 306 GLY A C 1 +ATOM 2208 O O . GLY A 1 285 ? -20.933 -29.583 -10.627 1.00 35.64 ? 306 GLY A O 1 +ATOM 2209 N N . TYR A 1 286 ? -22.244 -28.643 -9.108 1.00 35.97 ? 307 TYR A N 1 +ATOM 2210 C CA . TYR A 1 286 ? -23.360 -29.530 -9.425 1.00 35.58 ? 307 TYR A CA 1 +ATOM 2211 C C . TYR A 1 286 ? -23.928 -29.482 -10.833 1.00 35.80 ? 307 TYR A C 1 +ATOM 2212 O O . TYR A 1 286 ? -23.825 -30.437 -11.598 1.00 36.10 ? 307 TYR A O 1 +ATOM 2213 C CB . TYR A 1 286 ? -24.483 -29.318 -8.408 1.00 36.78 ? 307 TYR A CB 1 +ATOM 2214 C CG . TYR A 1 286 ? -25.733 -30.125 -8.671 1.00 36.25 ? 307 TYR A CG 1 +ATOM 2215 C CD1 . TYR A 1 286 ? -26.992 -29.585 -8.417 1.00 37.61 ? 307 TYR A CD1 1 +ATOM 2216 C CD2 . TYR A 1 286 ? -25.661 -31.439 -9.164 1.00 37.87 ? 307 TYR A CD2 1 +ATOM 2217 C CE1 . TYR A 1 286 ? -28.152 -30.327 -8.653 1.00 38.13 ? 307 TYR A CE1 1 +ATOM 2218 C CE2 . TYR A 1 286 ? -26.810 -32.186 -9.400 1.00 35.39 ? 307 TYR A CE2 1 +ATOM 2219 C CZ . TYR A 1 286 ? -28.042 -31.627 -9.147 1.00 37.37 ? 307 TYR A CZ 1 +ATOM 2220 O OH . TYR A 1 286 ? -29.178 -32.340 -9.413 1.00 38.98 ? 307 TYR A OH 1 +ATOM 2221 N N . GLU A 1 287 ? -24.546 -28.371 -11.182 1.00 35.67 ? 308 GLU A N 1 +ATOM 2222 C CA . GLU A 1 287 ? -25.147 -28.249 -12.483 1.00 34.60 ? 308 GLU A CA 1 +ATOM 2223 C C . GLU A 1 287 ? -24.123 -27.951 -13.589 1.00 33.45 ? 308 GLU A C 1 +ATOM 2224 O O . GLU A 1 287 ? -24.387 -28.196 -14.749 1.00 32.83 ? 308 GLU A O 1 +ATOM 2225 C CB . GLU A 1 287 ? -26.190 -27.149 -12.427 1.00 41.00 ? 308 GLU A CB 1 +ATOM 2226 C CG . GLU A 1 287 ? -27.179 -27.138 -13.566 1.00 45.36 ? 308 GLU A CG 1 +ATOM 2227 C CD . GLU A 1 287 ? -28.517 -26.590 -13.107 1.00 51.62 ? 308 GLU A CD 1 +ATOM 2228 O OE1 . GLU A 1 287 ? -29.527 -27.342 -13.171 1.00 49.66 ? 308 GLU A OE1 1 +ATOM 2229 O OE2 . GLU A 1 287 ? -28.542 -25.408 -12.667 1.00 51.38 ? 308 GLU A OE2 1 +ATOM 2230 N N . THR A 1 288 ? -22.973 -27.404 -13.222 1.00 31.03 ? 309 THR A N 1 +ATOM 2231 C CA . THR A 1 288 ? -21.938 -27.072 -14.200 1.00 31.18 ? 309 THR A CA 1 +ATOM 2232 C C . THR A 1 288 ? -21.403 -28.371 -14.827 1.00 31.93 ? 309 THR A C 1 +ATOM 2233 O O . THR A 1 288 ? -21.484 -28.567 -16.039 1.00 31.51 ? 309 THR A O 1 +ATOM 2234 C CB . THR A 1 288 ? -20.806 -26.323 -13.526 1.00 30.83 ? 309 THR A CB 1 +ATOM 2235 O OG1 . THR A 1 288 ? -20.367 -27.077 -12.383 1.00 30.40 ? 309 THR A OG1 1 +ATOM 2236 C CG2 . THR A 1 288 ? -21.278 -24.910 -13.087 1.00 32.32 ? 309 THR A CG2 1 +ATOM 2237 N N . THR A 1 289 ? -20.916 -29.262 -13.968 1.00 32.52 ? 310 THR A N 1 +ATOM 2238 C CA . THR A 1 289 ? -20.391 -30.557 -14.362 1.00 33.51 ? 310 THR A CA 1 +ATOM 2239 C C . THR A 1 289 ? -21.385 -31.337 -15.179 1.00 32.81 ? 310 THR A C 1 +ATOM 2240 O O . THR A 1 289 ? -21.057 -31.881 -16.236 1.00 31.99 ? 310 THR A O 1 +ATOM 2241 C CB . THR A 1 289 ? -20.061 -31.424 -13.163 1.00 32.94 ? 310 THR A CB 1 +ATOM 2242 O OG1 . THR A 1 289 ? -19.183 -30.718 -12.296 1.00 32.63 ? 310 THR A OG1 1 +ATOM 2243 C CG2 . THR A 1 289 ? -19.375 -32.699 -13.625 1.00 33.76 ? 310 THR A CG2 1 +ATOM 2244 N N . SER A 1 290 ? -22.608 -31.405 -14.680 1.00 32.43 ? 311 SER A N 1 +ATOM 2245 C CA . SER A 1 290 ? -23.631 -32.143 -15.382 1.00 32.49 ? 311 SER A CA 1 +ATOM 2246 C C . SER A 1 290 ? -23.908 -31.573 -16.784 1.00 31.67 ? 311 SER A C 1 +ATOM 2247 O O . SER A 1 290 ? -24.039 -32.332 -17.748 1.00 32.73 ? 311 SER A O 1 +ATOM 2248 C CB . SER A 1 290 ? -24.919 -32.154 -14.559 1.00 35.24 ? 311 SER A CB 1 +ATOM 2249 O OG . SER A 1 290 ? -26.006 -32.589 -15.361 1.00 39.90 ? 311 SER A OG 1 +ATOM 2250 N N . SER A 1 291 ? -24.001 -30.247 -16.886 1.00 27.98 ? 312 SER A N 1 +ATOM 2251 C CA . SER A 1 291 ? -24.270 -29.591 -18.163 1.00 30.42 ? 312 SER A CA 1 +ATOM 2252 C C . SER A 1 291 ? -23.134 -29.793 -19.159 1.00 28.71 ? 312 SER A C 1 +ATOM 2253 O O . SER A 1 291 ? -23.376 -29.977 -20.340 1.00 27.47 ? 312 SER A O 1 +ATOM 2254 C CB . SER A 1 291 ? -24.444 -28.077 -17.994 1.00 31.03 ? 312 SER A CB 1 +ATOM 2255 O OG . SER A 1 291 ? -25.657 -27.786 -17.335 1.00 42.04 ? 312 SER A OG 1 +ATOM 2256 N N . VAL A 1 292 ? -21.906 -29.728 -18.670 1.00 29.29 ? 313 VAL A N 1 +ATOM 2257 C CA . VAL A 1 292 ? -20.776 -29.865 -19.558 1.00 29.63 ? 313 VAL A CA 1 +ATOM 2258 C C . VAL A 1 292 ? -20.756 -31.299 -20.075 1.00 32.65 ? 313 VAL A C 1 +ATOM 2259 O O . VAL A 1 292 ? -20.705 -31.513 -21.294 1.00 33.71 ? 313 VAL A O 1 +ATOM 2260 C CB . VAL A 1 292 ? -19.464 -29.467 -18.849 1.00 28.80 ? 313 VAL A CB 1 +ATOM 2261 C CG1 . VAL A 1 292 ? -18.266 -29.766 -19.769 1.00 28.91 ? 313 VAL A CG1 1 +ATOM 2262 C CG2 . VAL A 1 292 ? -19.499 -27.949 -18.520 1.00 23.77 ? 313 VAL A CG2 1 +ATOM 2263 N N . LEU A 1 293 ? -20.874 -32.271 -19.167 1.00 32.26 ? 314 LEU A N 1 +ATOM 2264 C CA . LEU A 1 293 ? -20.897 -33.672 -19.573 1.00 34.69 ? 314 LEU A CA 1 +ATOM 2265 C C . LEU A 1 293 ? -21.960 -33.923 -20.624 1.00 33.60 ? 314 LEU A C 1 +ATOM 2266 O O . LEU A 1 293 ? -21.725 -34.662 -21.568 1.00 33.07 ? 314 LEU A O 1 +ATOM 2267 C CB . LEU A 1 293 ? -21.125 -34.605 -18.372 1.00 33.45 ? 314 LEU A CB 1 +ATOM 2268 C CG . LEU A 1 293 ? -19.845 -34.673 -17.540 1.00 37.44 ? 314 LEU A CG 1 +ATOM 2269 C CD1 . LEU A 1 293 ? -20.106 -35.338 -16.221 1.00 35.66 ? 314 LEU A CD1 1 +ATOM 2270 C CD2 . LEU A 1 293 ? -18.768 -35.427 -18.348 1.00 37.27 ? 314 LEU A CD2 1 +ATOM 2271 N N . SER A 1 294 ? -23.120 -33.305 -20.461 1.00 32.45 ? 315 SER A N 1 +ATOM 2272 C CA . SER A 1 294 ? -24.211 -33.469 -21.414 1.00 33.13 ? 315 SER A CA 1 +ATOM 2273 C C . SER A 1 294 ? -23.865 -32.853 -22.762 1.00 33.30 ? 315 SER A C 1 +ATOM 2274 O O . SER A 1 294 ? -24.193 -33.417 -23.807 1.00 32.01 ? 315 SER A O 1 +ATOM 2275 C CB . SER A 1 294 ? -25.510 -32.837 -20.876 1.00 34.48 ? 315 SER A CB 1 +ATOM 2276 O OG . SER A 1 294 ? -25.976 -33.548 -19.724 1.00 41.43 ? 315 SER A OG 1 +ATOM 2277 N N . PHE A 1 295 ? -23.252 -31.675 -22.755 1.00 30.26 ? 316 PHE A N 1 +ATOM 2278 C CA . PHE A 1 295 ? -22.883 -31.088 -24.036 1.00 32.03 ? 316 PHE A CA 1 +ATOM 2279 C C . PHE A 1 295 ? -21.895 -32.036 -24.747 1.00 31.19 ? 316 PHE A C 1 +ATOM 2280 O O . PHE A 1 295 ? -22.064 -32.351 -25.924 1.00 32.32 ? 316 PHE A O 1 +ATOM 2281 C CB . PHE A 1 295 ? -22.254 -29.698 -23.846 1.00 28.93 ? 316 PHE A CB 1 +ATOM 2282 C CG . PHE A 1 295 ? -23.268 -28.592 -23.616 1.00 31.43 ? 316 PHE A CG 1 +ATOM 2283 C CD1 . PHE A 1 295 ? -23.222 -27.813 -22.465 1.00 31.03 ? 316 PHE A CD1 1 +ATOM 2284 C CD2 . PHE A 1 295 ? -24.247 -28.328 -24.550 1.00 30.37 ? 316 PHE A CD2 1 +ATOM 2285 C CE1 . PHE A 1 295 ? -24.140 -26.796 -22.260 1.00 33.22 ? 316 PHE A CE1 1 +ATOM 2286 C CE2 . PHE A 1 295 ? -25.176 -27.303 -24.346 1.00 33.93 ? 316 PHE A CE2 1 +ATOM 2287 C CZ . PHE A 1 295 ? -25.112 -26.537 -23.186 1.00 30.05 ? 316 PHE A CZ 1 +ATOM 2288 N N . ILE A 1 296 ? -20.898 -32.517 -24.011 1.00 31.68 ? 317 ILE A N 1 +ATOM 2289 C CA . ILE A 1 296 ? -19.893 -33.403 -24.576 1.00 32.13 ? 317 ILE A CA 1 +ATOM 2290 C C . ILE A 1 296 ? -20.523 -34.640 -25.183 1.00 35.11 ? 317 ILE A C 1 +ATOM 2291 O O . ILE A 1 296 ? -20.198 -35.018 -26.317 1.00 36.51 ? 317 ILE A O 1 +ATOM 2292 C CB . ILE A 1 296 ? -18.873 -33.795 -23.521 1.00 29.62 ? 317 ILE A CB 1 +ATOM 2293 C CG1 . ILE A 1 296 ? -18.153 -32.538 -23.073 1.00 26.51 ? 317 ILE A CG1 1 +ATOM 2294 C CG2 . ILE A 1 296 ? -17.887 -34.859 -24.066 1.00 30.54 ? 317 ILE A CG2 1 +ATOM 2295 C CD1 . ILE A 1 296 ? -17.192 -32.772 -21.944 1.00 27.17 ? 317 ILE A CD1 1 +ATOM 2296 N N . MET A 1 297 ? -21.440 -35.262 -24.455 1.00 34.68 ? 318 MET A N 1 +ATOM 2297 C CA . MET A 1 297 ? -22.093 -36.449 -24.967 1.00 37.60 ? 318 MET A CA 1 +ATOM 2298 C C . MET A 1 297 ? -22.916 -36.136 -26.183 1.00 36.76 ? 318 MET A C 1 +ATOM 2299 O O . MET A 1 297 ? -23.055 -36.974 -27.074 1.00 36.75 ? 318 MET A O 1 +ATOM 2300 C CB . MET A 1 297 ? -22.953 -37.117 -23.895 1.00 37.23 ? 318 MET A CB 1 +ATOM 2301 C CG . MET A 1 297 ? -22.089 -37.647 -22.767 1.00 39.83 ? 318 MET A CG 1 +ATOM 2302 S SD . MET A 1 297 ? -20.600 -38.469 -23.415 1.00 47.07 ? 318 MET A SD 1 +ATOM 2303 C CE . MET A 1 297 ? -21.360 -39.869 -24.265 1.00 34.10 ? 318 MET A CE 1 +ATOM 2304 N N . TYR A 1 298 ? -23.466 -34.934 -26.236 1.00 35.69 ? 319 TYR A N 1 +ATOM 2305 C CA . TYR A 1 298 ? -24.240 -34.571 -27.406 1.00 35.96 ? 319 TYR A CA 1 +ATOM 2306 C C . TYR A 1 298 ? -23.296 -34.523 -28.616 1.00 36.34 ? 319 TYR A C 1 +ATOM 2307 O O . TYR A 1 298 ? -23.628 -35.035 -29.686 1.00 33.25 ? 319 TYR A O 1 +ATOM 2308 C CB . TYR A 1 298 ? -24.897 -33.204 -27.258 1.00 33.32 ? 319 TYR A CB 1 +ATOM 2309 C CG . TYR A 1 298 ? -25.521 -32.735 -28.547 1.00 37.21 ? 319 TYR A CG 1 +ATOM 2310 C CD1 . TYR A 1 298 ? -26.785 -33.189 -28.937 1.00 38.72 ? 319 TYR A CD1 1 +ATOM 2311 C CD2 . TYR A 1 298 ? -24.837 -31.855 -29.409 1.00 37.32 ? 319 TYR A CD2 1 +ATOM 2312 C CE1 . TYR A 1 298 ? -27.353 -32.782 -30.143 1.00 40.51 ? 319 TYR A CE1 1 +ATOM 2313 C CE2 . TYR A 1 298 ? -25.399 -31.441 -30.612 1.00 37.66 ? 319 TYR A CE2 1 +ATOM 2314 C CZ . TYR A 1 298 ? -26.658 -31.909 -30.967 1.00 39.90 ? 319 TYR A CZ 1 +ATOM 2315 O OH . TYR A 1 298 ? -27.248 -31.500 -32.131 1.00 43.57 ? 319 TYR A OH 1 +ATOM 2316 N N . GLU A 1 299 ? -22.135 -33.893 -28.435 1.00 35.99 ? 320 GLU A N 1 +ATOM 2317 C CA . GLU A 1 299 ? -21.165 -33.776 -29.524 1.00 37.79 ? 320 GLU A CA 1 +ATOM 2318 C C . GLU A 1 299 ? -20.678 -35.156 -29.992 1.00 37.39 ? 320 GLU A C 1 +ATOM 2319 O O . GLU A 1 299 ? -20.670 -35.438 -31.187 1.00 38.17 ? 320 GLU A O 1 +ATOM 2320 C CB . GLU A 1 299 ? -19.977 -32.906 -29.082 1.00 37.46 ? 320 GLU A CB 1 +ATOM 2321 C CG . GLU A 1 299 ? -20.369 -31.459 -28.758 1.00 39.96 ? 320 GLU A CG 1 +ATOM 2322 C CD . GLU A 1 299 ? -21.078 -30.756 -29.916 1.00 44.35 ? 320 GLU A CD 1 +ATOM 2323 O OE1 . GLU A 1 299 ? -21.746 -29.736 -29.663 1.00 45.89 ? 320 GLU A OE1 1 +ATOM 2324 O OE2 . GLU A 1 299 ? -20.975 -31.198 -31.085 1.00 43.90 ? 320 GLU A OE2 1 +ATOM 2325 N N . LEU A 1 300 ? -20.287 -36.011 -29.048 1.00 37.79 ? 321 LEU A N 1 +ATOM 2326 C CA . LEU A 1 300 ? -19.823 -37.342 -29.383 1.00 38.81 ? 321 LEU A CA 1 +ATOM 2327 C C . LEU A 1 300 ? -20.862 -38.159 -30.136 1.00 41.41 ? 321 LEU A C 1 +ATOM 2328 O O . LEU A 1 300 ? -20.518 -38.944 -31.027 1.00 40.71 ? 321 LEU A O 1 +ATOM 2329 C CB . LEU A 1 300 ? -19.417 -38.080 -28.127 1.00 37.48 ? 321 LEU A CB 1 +ATOM 2330 C CG . LEU A 1 300 ? -18.219 -37.438 -27.455 1.00 34.10 ? 321 LEU A CG 1 +ATOM 2331 C CD1 . LEU A 1 300 ? -17.835 -38.251 -26.252 1.00 33.09 ? 321 LEU A CD1 1 +ATOM 2332 C CD2 . LEU A 1 300 ? -17.080 -37.354 -28.448 1.00 37.69 ? 321 LEU A CD2 1 +ATOM 2333 N N . ALA A 1 301 ? -22.134 -37.971 -29.787 1.00 41.65 ? 322 ALA A N 1 +ATOM 2334 C CA . ALA A 1 301 ? -23.219 -38.710 -30.418 1.00 41.77 ? 322 ALA A CA 1 +ATOM 2335 C C . ALA A 1 301 ? -23.459 -38.221 -31.833 1.00 41.74 ? 322 ALA A C 1 +ATOM 2336 O O . ALA A 1 301 ? -23.762 -39.017 -32.724 1.00 42.27 ? 322 ALA A O 1 +ATOM 2337 C CB . ALA A 1 301 ? -24.511 -38.584 -29.585 1.00 41.55 ? 322 ALA A CB 1 +ATOM 2338 N N . THR A 1 302 ? -23.341 -36.914 -32.045 1.00 39.96 ? 323 THR A N 1 +ATOM 2339 C CA . THR A 1 302 ? -23.545 -36.360 -33.371 1.00 39.95 ? 323 THR A CA 1 +ATOM 2340 C C . THR A 1 302 ? -22.259 -36.382 -34.221 1.00 40.00 ? 323 THR A C 1 +ATOM 2341 O O . THR A 1 302 ? -22.250 -35.884 -35.354 1.00 39.12 ? 323 THR A O 1 +ATOM 2342 C CB . THR A 1 302 ? -24.073 -34.924 -33.306 1.00 41.33 ? 323 THR A CB 1 +ATOM 2343 O OG1 . THR A 1 302 ? -23.096 -34.089 -32.672 1.00 43.77 ? 323 THR A OG1 1 +ATOM 2344 C CG2 . THR A 1 302 ? -25.395 -34.885 -32.525 1.00 41.36 ? 323 THR A CG2 1 +ATOM 2345 N N . HIS A 1 303 ? -21.183 -36.936 -33.662 1.00 38.40 ? 324 HIS A N 1 +ATOM 2346 C CA . HIS A 1 303 ? -19.917 -37.067 -34.387 1.00 38.78 ? 324 HIS A CA 1 +ATOM 2347 C C . HIS A 1 303 ? -19.339 -38.442 -34.047 1.00 36.22 ? 324 HIS A C 1 +ATOM 2348 O O . HIS A 1 303 ? -18.365 -38.578 -33.290 1.00 36.01 ? 324 HIS A O 1 +ATOM 2349 C CB . HIS A 1 303 ? -18.938 -35.948 -34.011 1.00 40.32 ? 324 HIS A CB 1 +ATOM 2350 C CG . HIS A 1 303 ? -19.439 -34.580 -34.344 1.00 43.55 ? 324 HIS A CG 1 +ATOM 2351 N ND1 . HIS A 1 303 ? -20.580 -34.048 -33.782 1.00 44.60 ? 324 HIS A ND1 1 +ATOM 2352 C CD2 . HIS A 1 303 ? -18.952 -33.629 -35.174 1.00 45.52 ? 324 HIS A CD2 1 +ATOM 2353 C CE1 . HIS A 1 303 ? -20.772 -32.827 -34.249 1.00 44.73 ? 324 HIS A CE1 1 +ATOM 2354 N NE2 . HIS A 1 303 ? -19.797 -32.548 -35.096 1.00 45.92 ? 324 HIS A NE2 1 +ATOM 2355 N N . PRO A 1 304 ? -19.956 -39.491 -34.598 1.00 37.36 ? 325 PRO A N 1 +ATOM 2356 C CA . PRO A 1 304 ? -19.548 -40.880 -34.386 1.00 39.69 ? 325 PRO A CA 1 +ATOM 2357 C C . PRO A 1 304 ? -18.048 -41.115 -34.481 1.00 39.79 ? 325 PRO A C 1 +ATOM 2358 O O . PRO A 1 304 ? -17.478 -41.791 -33.627 1.00 40.12 ? 325 PRO A O 1 +ATOM 2359 C CB . PRO A 1 304 ? -20.310 -41.635 -35.476 1.00 41.10 ? 325 PRO A CB 1 +ATOM 2360 C CG . PRO A 1 304 ? -21.567 -40.864 -35.594 1.00 39.62 ? 325 PRO A CG 1 +ATOM 2361 C CD . PRO A 1 304 ? -21.062 -39.421 -35.570 1.00 39.01 ? 325 PRO A CD 1 +ATOM 2362 N N . ASP A 1 305 ? -17.421 -40.545 -35.512 1.00 40.38 ? 326 ASP A N 1 +ATOM 2363 C CA . ASP A 1 305 ? -15.980 -40.708 -35.733 1.00 40.53 ? 326 ASP A CA 1 +ATOM 2364 C C . ASP A 1 305 ? -15.179 -40.286 -34.514 1.00 36.78 ? 326 ASP A C 1 +ATOM 2365 O O . ASP A 1 305 ? -14.283 -41.014 -34.059 1.00 36.32 ? 326 ASP A O 1 +ATOM 2366 C CB . ASP A 1 305 ? -15.543 -39.930 -36.993 1.00 44.00 ? 326 ASP A CB 1 +ATOM 2367 C CG . ASP A 1 305 ? -15.914 -38.444 -36.937 1.00 48.01 ? 326 ASP A CG 1 +ATOM 2368 O OD1 . ASP A 1 305 ? -17.053 -38.099 -36.520 1.00 50.50 ? 326 ASP A OD1 1 +ATOM 2369 O OD2 . ASP A 1 305 ? -15.064 -37.618 -37.327 1.00 49.27 ? 326 ASP A OD2 1 +ATOM 2370 N N . VAL A 1 306 ? -15.500 -39.115 -33.970 1.00 35.12 ? 327 VAL A N 1 +ATOM 2371 C CA . VAL A 1 306 ? -14.823 -38.649 -32.764 1.00 33.62 ? 327 VAL A CA 1 +ATOM 2372 C C . VAL A 1 306 ? -15.087 -39.630 -31.623 1.00 32.06 ? 327 VAL A C 1 +ATOM 2373 O O . VAL A 1 306 ? -14.168 -40.035 -30.893 1.00 31.60 ? 327 VAL A O 1 +ATOM 2374 C CB . VAL A 1 306 ? -15.317 -37.214 -32.314 1.00 33.22 ? 327 VAL A CB 1 +ATOM 2375 C CG1 . VAL A 1 306 ? -14.638 -36.818 -30.993 1.00 30.23 ? 327 VAL A CG1 1 +ATOM 2376 C CG2 . VAL A 1 306 ? -14.982 -36.181 -33.386 1.00 34.68 ? 327 VAL A CG2 1 +ATOM 2377 N N . GLN A 1 307 ? -16.347 -40.015 -31.459 1.00 34.14 ? 328 GLN A N 1 +ATOM 2378 C CA . GLN A 1 307 ? -16.670 -40.960 -30.382 1.00 34.94 ? 328 GLN A CA 1 +ATOM 2379 C C . GLN A 1 307 ? -15.769 -42.204 -30.491 1.00 35.55 ? 328 GLN A C 1 +ATOM 2380 O O . GLN A 1 307 ? -15.103 -42.595 -29.526 1.00 33.97 ? 328 GLN A O 1 +ATOM 2381 C CB . GLN A 1 307 ? -18.137 -41.386 -30.439 1.00 33.58 ? 328 GLN A CB 1 +ATOM 2382 C CG . GLN A 1 307 ? -18.514 -42.324 -29.263 1.00 36.50 ? 328 GLN A CG 1 +ATOM 2383 C CD . GLN A 1 307 ? -19.995 -42.387 -28.984 1.00 35.91 ? 328 GLN A CD 1 +ATOM 2384 O OE1 . GLN A 1 307 ? -20.435 -43.166 -28.138 1.00 39.58 ? 328 GLN A OE1 1 +ATOM 2385 N NE2 . GLN A 1 307 ? -20.779 -41.578 -29.692 1.00 36.20 ? 328 GLN A NE2 1 +ATOM 2386 N N . GLN A 1 308 ? -15.718 -42.800 -31.682 1.00 37.52 ? 329 GLN A N 1 +ATOM 2387 C CA . GLN A 1 308 ? -14.889 -44.007 -31.893 1.00 36.64 ? 329 GLN A CA 1 +ATOM 2388 C C . GLN A 1 308 ? -13.422 -43.765 -31.537 1.00 36.89 ? 329 GLN A C 1 +ATOM 2389 O O . GLN A 1 308 ? -12.804 -44.518 -30.776 1.00 36.39 ? 329 GLN A O 1 +ATOM 2390 C CB . GLN A 1 308 ? -14.993 -44.480 -33.355 1.00 39.18 ? 329 GLN A CB 1 +ATOM 2391 C CG . GLN A 1 308 ? -14.234 -45.791 -33.616 1.00 39.67 ? 329 GLN A CG 1 +ATOM 2392 C CD . GLN A 1 308 ? -14.337 -46.297 -35.056 1.00 41.01 ? 329 GLN A CD 1 +ATOM 2393 O OE1 . GLN A 1 308 ? -15.430 -46.351 -35.637 1.00 39.31 ? 329 GLN A OE1 1 +ATOM 2394 N NE2 . GLN A 1 308 ? -13.183 -46.691 -35.634 1.00 40.78 ? 329 GLN A NE2 1 +ATOM 2395 N N . LYS A 1 309 ? -12.858 -42.704 -32.098 1.00 38.61 ? 330 LYS A N 1 +ATOM 2396 C CA . LYS A 1 309 ? -11.478 -42.382 -31.837 1.00 36.89 ? 330 LYS A CA 1 +ATOM 2397 C C . LYS A 1 309 ? -11.236 -42.235 -30.347 1.00 36.99 ? 330 LYS A C 1 +ATOM 2398 O O . LYS A 1 309 ? -10.197 -42.684 -29.821 1.00 35.67 ? 330 LYS A O 1 +ATOM 2399 C CB . LYS A 1 309 ? -11.085 -41.085 -32.564 1.00 40.34 ? 330 LYS A CB 1 +ATOM 2400 C CG . LYS A 1 309 ? -9.617 -40.669 -32.339 1.00 41.93 ? 330 LYS A CG 1 +ATOM 2401 C CD . LYS A 1 309 ? -9.154 -39.612 -33.341 1.00 45.14 ? 330 LYS A CD 1 +ATOM 2402 C CE . LYS A 1 309 ? -7.713 -39.185 -33.047 1.00 45.83 ? 330 LYS A CE 1 +ATOM 2403 N NZ . LYS A 1 309 ? -7.194 -38.160 -34.017 1.00 47.63 ? 330 LYS A NZ 1 +ATOM 2404 N N . LEU A 1 310 ? -12.184 -41.598 -29.649 1.00 36.08 ? 331 LEU A N 1 +ATOM 2405 C CA . LEU A 1 310 ? -12.011 -41.414 -28.216 1.00 32.48 ? 331 LEU A CA 1 +ATOM 2406 C C . LEU A 1 310 ? -11.986 -42.773 -27.557 1.00 30.41 ? 331 LEU A C 1 +ATOM 2407 O O . LEU A 1 310 ? -11.176 -43.047 -26.660 1.00 30.29 ? 331 LEU A O 1 +ATOM 2408 C CB . LEU A 1 310 ? -13.139 -40.536 -27.613 1.00 31.71 ? 331 LEU A CB 1 +ATOM 2409 C CG . LEU A 1 310 ? -13.094 -40.255 -26.089 1.00 33.73 ? 331 LEU A CG 1 +ATOM 2410 C CD1 . LEU A 1 310 ? -11.661 -40.139 -25.619 1.00 31.87 ? 331 LEU A CD1 1 +ATOM 2411 C CD2 . LEU A 1 310 ? -13.846 -38.921 -25.753 1.00 31.19 ? 331 LEU A CD2 1 +ATOM 2412 N N . GLN A 1 311 ? -12.889 -43.621 -27.996 1.00 32.66 ? 332 GLN A N 1 +ATOM 2413 C CA . GLN A 1 311 ? -12.969 -44.955 -27.445 1.00 37.08 ? 332 GLN A CA 1 +ATOM 2414 C C . GLN A 1 311 ? -11.714 -45.793 -27.700 1.00 38.01 ? 332 GLN A C 1 +ATOM 2415 O O . GLN A 1 311 ? -11.315 -46.600 -26.852 1.00 39.36 ? 332 GLN A O 1 +ATOM 2416 C CB . GLN A 1 311 ? -14.198 -45.656 -27.997 1.00 37.15 ? 332 GLN A CB 1 +ATOM 2417 C CG . GLN A 1 311 ? -15.494 -45.202 -27.340 1.00 37.01 ? 332 GLN A CG 1 +ATOM 2418 C CD . GLN A 1 311 ? -16.698 -45.713 -28.093 1.00 39.46 ? 332 GLN A CD 1 +ATOM 2419 O OE1 . GLN A 1 311 ? -16.690 -45.746 -29.329 1.00 39.01 ? 332 GLN A OE1 1 +ATOM 2420 N NE2 . GLN A 1 311 ? -17.748 -46.110 -27.363 1.00 37.79 ? 332 GLN A NE2 1 +ATOM 2421 N N . GLU A 1 312 ? -11.082 -45.584 -28.849 1.00 38.38 ? 333 GLU A N 1 +ATOM 2422 C CA . GLU A 1 312 ? -9.887 -46.330 -29.170 1.00 40.27 ? 333 GLU A CA 1 +ATOM 2423 C C . GLU A 1 312 ? -8.748 -45.872 -28.273 1.00 41.44 ? 333 GLU A C 1 +ATOM 2424 O O . GLU A 1 312 ? -7.988 -46.703 -27.775 1.00 43.28 ? 333 GLU A O 1 +ATOM 2425 C CB . GLU A 1 312 ? -9.553 -46.167 -30.665 1.00 41.83 ? 333 GLU A CB 1 +ATOM 2426 C CG . GLU A 1 312 ? -10.659 -46.756 -31.557 1.00 44.90 ? 333 GLU A CG 1 +ATOM 2427 C CD . GLU A 1 312 ? -10.385 -46.652 -33.051 1.00 48.95 ? 333 GLU A CD 1 +ATOM 2428 O OE1 . GLU A 1 312 ? -9.611 -45.761 -33.469 1.00 50.67 ? 333 GLU A OE1 1 +ATOM 2429 O OE2 . GLU A 1 312 ? -10.966 -47.458 -33.816 1.00 51.59 ? 333 GLU A OE2 1 +ATOM 2430 N N . GLU A 1 313 ? -8.652 -44.566 -28.019 1.00 41.09 ? 334 GLU A N 1 +ATOM 2431 C CA . GLU A 1 313 ? -7.592 -44.056 -27.154 1.00 40.88 ? 334 GLU A CA 1 +ATOM 2432 C C . GLU A 1 313 ? -7.787 -44.600 -25.744 1.00 41.55 ? 334 GLU A C 1 +ATOM 2433 O O . GLU A 1 313 ? -6.857 -45.049 -25.100 1.00 42.54 ? 334 GLU A O 1 +ATOM 2434 C CB . GLU A 1 313 ? -7.609 -42.527 -27.130 1.00 40.30 ? 334 GLU A CB 1 +ATOM 2435 C CG . GLU A 1 313 ? -6.725 -41.920 -26.030 1.00 41.56 ? 334 GLU A CG 1 +ATOM 2436 C CD . GLU A 1 313 ? -6.707 -40.395 -26.062 1.00 44.74 ? 334 GLU A CD 1 +ATOM 2437 O OE1 . GLU A 1 313 ? -5.944 -39.825 -26.885 1.00 45.50 ? 334 GLU A OE1 1 +ATOM 2438 O OE2 . GLU A 1 313 ? -7.463 -39.769 -25.272 1.00 42.74 ? 334 GLU A OE2 1 +ATOM 2439 N N . ILE A 1 314 ? -9.019 -44.559 -25.264 1.00 42.59 ? 335 ILE A N 1 +ATOM 2440 C CA . ILE A 1 314 ? -9.319 -45.067 -23.936 1.00 42.38 ? 335 ILE A CA 1 +ATOM 2441 C C . ILE A 1 314 ? -8.953 -46.548 -23.895 1.00 42.43 ? 335 ILE A C 1 +ATOM 2442 O O . ILE A 1 314 ? -8.245 -47.003 -22.999 1.00 40.19 ? 335 ILE A O 1 +ATOM 2443 C CB . ILE A 1 314 ? -10.812 -44.934 -23.626 1.00 40.56 ? 335 ILE A CB 1 +ATOM 2444 C CG1 . ILE A 1 314 ? -11.181 -43.458 -23.438 1.00 42.03 ? 335 ILE A CG1 1 +ATOM 2445 C CG2 . ILE A 1 314 ? -11.159 -45.779 -22.414 1.00 42.33 ? 335 ILE A CG2 1 +ATOM 2446 C CD1 . ILE A 1 314 ? -12.623 -43.163 -23.802 1.00 39.82 ? 335 ILE A CD1 1 +ATOM 2447 N N . ASP A 1 315 ? -9.464 -47.302 -24.857 1.00 43.42 ? 336 ASP A N 1 +ATOM 2448 C CA . ASP A 1 315 ? -9.152 -48.722 -24.893 1.00 47.05 ? 336 ASP A CA 1 +ATOM 2449 C C . ASP A 1 315 ? -7.646 -48.952 -24.933 1.00 48.33 ? 336 ASP A C 1 +ATOM 2450 O O . ASP A 1 315 ? -7.143 -49.918 -24.375 1.00 50.60 ? 336 ASP A O 1 +ATOM 2451 C CB . ASP A 1 315 ? -9.842 -49.382 -26.077 1.00 46.62 ? 336 ASP A CB 1 +ATOM 2452 C CG . ASP A 1 315 ? -11.332 -49.486 -25.869 1.00 48.90 ? 336 ASP A CG 1 +ATOM 2453 O OD1 . ASP A 1 315 ? -11.764 -49.396 -24.697 1.00 50.59 ? 336 ASP A OD1 1 +ATOM 2454 O OD2 . ASP A 1 315 ? -12.074 -49.668 -26.856 1.00 51.31 ? 336 ASP A OD2 1 +ATOM 2455 N N . ALA A 1 316 ? -6.916 -48.041 -25.559 1.00 50.10 ? 337 ALA A N 1 +ATOM 2456 C CA . ALA A 1 316 ? -5.471 -48.185 -25.631 1.00 51.59 ? 337 ALA A CA 1 +ATOM 2457 C C . ALA A 1 316 ? -4.818 -47.980 -24.258 1.00 52.18 ? 337 ALA A C 1 +ATOM 2458 O O . ALA A 1 316 ? -4.084 -48.848 -23.777 1.00 53.24 ? 337 ALA A O 1 +ATOM 2459 C CB . ALA A 1 316 ? -4.891 -47.196 -26.648 1.00 49.88 ? 337 ALA A CB 1 +ATOM 2460 N N . VAL A 1 317 ? -5.099 -46.846 -23.624 1.00 51.14 ? 338 VAL A N 1 +ATOM 2461 C CA . VAL A 1 317 ? -4.506 -46.515 -22.330 1.00 50.05 ? 338 VAL A CA 1 +ATOM 2462 C C . VAL A 1 317 ? -4.975 -47.415 -21.192 1.00 51.05 ? 338 VAL A C 1 +ATOM 2463 O O . VAL A 1 317 ? -4.307 -47.527 -20.160 1.00 47.90 ? 338 VAL A O 1 +ATOM 2464 C CB . VAL A 1 317 ? -4.811 -45.056 -21.961 1.00 50.05 ? 338 VAL A CB 1 +ATOM 2465 C CG1 . VAL A 1 317 ? -3.869 -44.586 -20.867 1.00 49.47 ? 338 VAL A CG1 1 +ATOM 2466 C CG2 . VAL A 1 317 ? -4.702 -44.177 -23.203 1.00 48.86 ? 338 VAL A CG2 1 +ATOM 2467 N N . LEU A 1 318 ? -6.125 -48.054 -21.384 1.00 51.57 ? 339 LEU A N 1 +ATOM 2468 C CA . LEU A 1 318 ? -6.692 -48.940 -20.371 1.00 54.98 ? 339 LEU A CA 1 +ATOM 2469 C C . LEU A 1 318 ? -7.296 -50.167 -21.045 1.00 56.81 ? 339 LEU A C 1 +ATOM 2470 O O . LEU A 1 318 ? -8.517 -50.291 -21.143 1.00 57.62 ? 339 LEU A O 1 +ATOM 2471 C CB . LEU A 1 318 ? -7.778 -48.207 -19.573 1.00 55.34 ? 339 LEU A CB 1 +ATOM 2472 C CG . LEU A 1 318 ? -7.343 -46.989 -18.754 1.00 56.07 ? 339 LEU A CG 1 +ATOM 2473 C CD1 . LEU A 1 318 ? -8.574 -46.214 -18.275 1.00 56.90 ? 339 LEU A CD1 1 +ATOM 2474 C CD2 . LEU A 1 318 ? -6.497 -47.438 -17.580 1.00 57.27 ? 339 LEU A CD2 1 +ATOM 2475 N N . PRO A 1 319 ? -6.443 -51.095 -21.519 1.00 58.99 ? 340 PRO A N 1 +ATOM 2476 C CA . PRO A 1 319 ? -6.903 -52.315 -22.194 1.00 59.83 ? 340 PRO A CA 1 +ATOM 2477 C C . PRO A 1 319 ? -7.994 -53.053 -21.427 1.00 60.83 ? 340 PRO A C 1 +ATOM 2478 O O . PRO A 1 319 ? -7.910 -53.222 -20.209 1.00 61.75 ? 340 PRO A O 1 +ATOM 2479 C CB . PRO A 1 319 ? -5.626 -53.131 -22.325 1.00 60.09 ? 340 PRO A CB 1 +ATOM 2480 C CG . PRO A 1 319 ? -4.577 -52.055 -22.523 1.00 60.54 ? 340 PRO A CG 1 +ATOM 2481 C CD . PRO A 1 319 ? -4.971 -51.066 -21.443 1.00 59.25 ? 340 PRO A CD 1 +ATOM 2482 N N . ASN A 1 320 ? -9.017 -53.493 -22.151 1.00 61.37 ? 341 ASN A N 1 +ATOM 2483 C CA . ASN A 1 320 ? -10.142 -54.200 -21.545 1.00 61.66 ? 341 ASN A CA 1 +ATOM 2484 C C . ASN A 1 320 ? -10.658 -53.543 -20.265 1.00 60.68 ? 341 ASN A C 1 +ATOM 2485 O O . ASN A 1 320 ? -10.323 -53.957 -19.152 1.00 60.81 ? 341 ASN A O 1 +ATOM 2486 C CB . ASN A 1 320 ? -9.784 -55.657 -21.245 1.00 63.81 ? 341 ASN A CB 1 +ATOM 2487 C CG . ASN A 1 320 ? -10.923 -56.400 -20.551 1.00 66.56 ? 341 ASN A CG 1 +ATOM 2488 O OD1 . ASN A 1 320 ? -12.067 -56.396 -21.026 1.00 67.36 ? 341 ASN A OD1 1 +ATOM 2489 N ND2 . ASN A 1 320 ? -10.617 -57.040 -19.420 1.00 67.74 ? 341 ASN A ND2 1 +ATOM 2490 N N . LYS A 1 321 ? -11.464 -52.503 -20.447 1.00 59.13 ? 342 LYS A N 1 +ATOM 2491 C CA . LYS A 1 321 ? -12.097 -51.763 -19.355 1.00 55.88 ? 342 LYS A CA 1 +ATOM 2492 C C . LYS A 1 321 ? -11.307 -51.568 -18.053 1.00 54.70 ? 342 LYS A C 1 +ATOM 2493 O O . LYS A 1 321 ? -11.868 -51.647 -16.963 1.00 54.27 ? 342 LYS A O 1 +ATOM 2494 C CB . LYS A 1 321 ? -13.453 -52.413 -19.066 1.00 53.96 ? 342 LYS A CB 1 +ATOM 2495 C CG . LYS A 1 321 ? -14.322 -52.523 -20.318 1.00 52.72 ? 342 LYS A CG 1 +ATOM 2496 C CD . LYS A 1 321 ? -15.708 -53.055 -20.018 1.00 53.73 ? 342 LYS A CD 1 +ATOM 2497 C CE . LYS A 1 321 ? -16.509 -53.230 -21.295 1.00 54.57 ? 342 LYS A CE 1 +ATOM 2498 N NZ . LYS A 1 321 ? -17.939 -53.592 -21.043 1.00 56.27 ? 342 LYS A NZ 1 +ATOM 2499 N N . ALA A 1 322 ? -10.012 -51.290 -18.160 1.00 54.24 ? 343 ALA A N 1 +ATOM 2500 C CA . ALA A 1 322 ? -9.194 -51.067 -16.970 1.00 55.17 ? 343 ALA A CA 1 +ATOM 2501 C C . ALA A 1 322 ? -9.608 -49.774 -16.247 1.00 57.23 ? 343 ALA A C 1 +ATOM 2502 O O . ALA A 1 322 ? -9.676 -48.701 -16.851 1.00 56.94 ? 343 ALA A O 1 +ATOM 2503 C CB . ALA A 1 322 ? -7.734 -50.984 -17.356 1.00 54.94 ? 343 ALA A CB 1 +ATOM 2504 N N . PRO A 1 323 ? -9.881 -49.859 -14.942 1.00 57.52 ? 344 PRO A N 1 +ATOM 2505 C CA . PRO A 1 323 ? -10.282 -48.667 -14.196 1.00 58.16 ? 344 PRO A CA 1 +ATOM 2506 C C . PRO A 1 323 ? -9.376 -47.468 -14.437 1.00 57.57 ? 344 PRO A C 1 +ATOM 2507 O O . PRO A 1 323 ? -8.153 -47.592 -14.402 1.00 57.11 ? 344 PRO A O 1 +ATOM 2508 C CB . PRO A 1 323 ? -10.244 -49.145 -12.751 1.00 58.96 ? 344 PRO A CB 1 +ATOM 2509 C CG . PRO A 1 323 ? -10.718 -50.580 -12.888 1.00 59.44 ? 344 PRO A CG 1 +ATOM 2510 C CD . PRO A 1 323 ? -9.914 -51.056 -14.081 1.00 58.30 ? 344 PRO A CD 1 +ATOM 2511 N N . PRO A 1 324 ? -9.978 -46.288 -14.691 1.00 56.99 ? 345 PRO A N 1 +ATOM 2512 C CA . PRO A 1 324 ? -9.248 -45.039 -14.942 1.00 56.09 ? 345 PRO A CA 1 +ATOM 2513 C C . PRO A 1 324 ? -8.456 -44.671 -13.697 1.00 55.91 ? 345 PRO A C 1 +ATOM 2514 O O . PRO A 1 324 ? -8.768 -45.127 -12.600 1.00 54.84 ? 345 PRO A O 1 +ATOM 2515 C CB . PRO A 1 324 ? -10.354 -44.020 -15.202 1.00 55.28 ? 345 PRO A CB 1 +ATOM 2516 C CG . PRO A 1 324 ? -11.547 -44.843 -15.570 1.00 57.17 ? 345 PRO A CG 1 +ATOM 2517 C CD . PRO A 1 324 ? -11.431 -46.053 -14.695 1.00 57.17 ? 345 PRO A CD 1 +ATOM 2518 N N . THR A 1 325 ? -7.443 -43.835 -13.867 1.00 56.40 ? 346 THR A N 1 +ATOM 2519 C CA . THR A 1 325 ? -6.620 -43.411 -12.748 1.00 57.32 ? 346 THR A CA 1 +ATOM 2520 C C . THR A 1 325 ? -6.098 -42.011 -13.005 1.00 57.45 ? 346 THR A C 1 +ATOM 2521 O O . THR A 1 325 ? -5.957 -41.584 -14.149 1.00 57.18 ? 346 THR A O 1 +ATOM 2522 C CB . THR A 1 325 ? -5.404 -44.310 -12.578 1.00 58.08 ? 346 THR A CB 1 +ATOM 2523 O OG1 . THR A 1 325 ? -4.465 -44.025 -13.627 1.00 59.30 ? 346 THR A OG1 1 +ATOM 2524 C CG2 . THR A 1 325 ? -5.814 -45.786 -12.633 1.00 58.54 ? 346 THR A CG2 1 +ATOM 2525 N N . TYR A 1 326 ? -5.779 -41.309 -11.932 1.00 58.77 ? 347 TYR A N 1 +ATOM 2526 C CA . TYR A 1 326 ? -5.274 -39.960 -12.056 1.00 59.53 ? 347 TYR A CA 1 +ATOM 2527 C C . TYR A 1 326 ? -4.348 -39.821 -13.263 1.00 60.46 ? 347 TYR A C 1 +ATOM 2528 O O . TYR A 1 326 ? -4.706 -39.187 -14.256 1.00 61.70 ? 347 TYR A O 1 +ATOM 2529 C CB . TYR A 1 326 ? -4.530 -39.556 -10.779 1.00 58.66 ? 347 TYR A CB 1 +ATOM 2530 C CG . TYR A 1 326 ? -4.133 -38.100 -10.754 1.00 58.85 ? 347 TYR A CG 1 +ATOM 2531 C CD1 . TYR A 1 326 ? -5.054 -37.108 -10.404 1.00 59.58 ? 347 TYR A CD1 1 +ATOM 2532 C CD2 . TYR A 1 326 ? -2.855 -37.704 -11.141 1.00 59.08 ? 347 TYR A CD2 1 +ATOM 2533 C CE1 . TYR A 1 326 ? -4.709 -35.760 -10.446 1.00 59.58 ? 347 TYR A CE1 1 +ATOM 2534 C CE2 . TYR A 1 326 ? -2.501 -36.360 -11.189 1.00 59.34 ? 347 TYR A CE2 1 +ATOM 2535 C CZ . TYR A 1 326 ? -3.430 -35.391 -10.843 1.00 59.40 ? 347 TYR A CZ 1 +ATOM 2536 O OH . TYR A 1 326 ? -3.075 -34.059 -10.915 1.00 58.52 ? 347 TYR A OH 1 +ATOM 2537 N N . ASP A 1 327 ? -3.172 -40.440 -13.191 1.00 61.82 ? 348 ASP A N 1 +ATOM 2538 C CA . ASP A 1 327 ? -2.177 -40.342 -14.261 1.00 62.60 ? 348 ASP A CA 1 +ATOM 2539 C C . ASP A 1 327 ? -2.672 -40.847 -15.610 1.00 61.91 ? 348 ASP A C 1 +ATOM 2540 O O . ASP A 1 327 ? -2.261 -40.343 -16.657 1.00 61.53 ? 348 ASP A O 1 +ATOM 2541 C CB . ASP A 1 327 ? -0.900 -41.104 -13.890 1.00 65.03 ? 348 ASP A CB 1 +ATOM 2542 C CG . ASP A 1 327 ? -0.571 -41.021 -12.406 1.00 68.03 ? 348 ASP A CG 1 +ATOM 2543 O OD1 . ASP A 1 327 ? 0.593 -41.304 -12.041 1.00 69.48 ? 348 ASP A OD1 1 +ATOM 2544 O OD2 . ASP A 1 327 ? -1.469 -40.695 -11.598 1.00 67.82 ? 348 ASP A OD2 1 +ATOM 2545 N N . THR A 1 328 ? -3.533 -41.858 -15.578 1.00 60.61 ? 349 THR A N 1 +ATOM 2546 C CA . THR A 1 328 ? -4.080 -42.425 -16.796 1.00 59.89 ? 349 THR A CA 1 +ATOM 2547 C C . THR A 1 328 ? -4.971 -41.397 -17.464 1.00 58.92 ? 349 THR A C 1 +ATOM 2548 O O . THR A 1 328 ? -5.027 -41.291 -18.695 1.00 58.11 ? 349 THR A O 1 +ATOM 2549 C CB . THR A 1 328 ? -4.905 -43.665 -16.487 1.00 59.76 ? 349 THR A CB 1 +ATOM 2550 O OG1 . THR A 1 328 ? -4.031 -44.701 -16.037 1.00 64.51 ? 349 THR A OG1 1 +ATOM 2551 C CG2 . THR A 1 328 ? -5.624 -44.141 -17.706 1.00 59.58 ? 349 THR A CG2 1 +ATOM 2552 N N . VAL A 1 329 ? -5.678 -40.639 -16.638 1.00 57.93 ? 350 VAL A N 1 +ATOM 2553 C CA . VAL A 1 329 ? -6.562 -39.619 -17.155 1.00 56.10 ? 350 VAL A CA 1 +ATOM 2554 C C . VAL A 1 329 ? -5.728 -38.560 -17.840 1.00 56.24 ? 350 VAL A C 1 +ATOM 2555 O O . VAL A 1 329 ? -5.952 -38.224 -19.003 1.00 54.31 ? 350 VAL A O 1 +ATOM 2556 C CB . VAL A 1 329 ? -7.371 -38.957 -16.032 1.00 55.75 ? 350 VAL A CB 1 +ATOM 2557 C CG1 . VAL A 1 329 ? -8.080 -37.714 -16.573 1.00 53.96 ? 350 VAL A CG1 1 +ATOM 2558 C CG2 . VAL A 1 329 ? -8.387 -39.949 -15.474 1.00 52.89 ? 350 VAL A CG2 1 +ATOM 2559 N N . LEU A 1 330 ? -4.749 -38.043 -17.113 1.00 56.59 ? 351 LEU A N 1 +ATOM 2560 C CA . LEU A 1 330 ? -3.901 -37.004 -17.653 1.00 58.30 ? 351 LEU A CA 1 +ATOM 2561 C C . LEU A 1 330 ? -3.262 -37.394 -18.972 1.00 57.73 ? 351 LEU A C 1 +ATOM 2562 O O . LEU A 1 330 ? -3.075 -36.553 -19.860 1.00 58.93 ? 351 LEU A O 1 +ATOM 2563 C CB . LEU A 1 330 ? -2.820 -36.634 -16.640 1.00 59.44 ? 351 LEU A CB 1 +ATOM 2564 C CG . LEU A 1 330 ? -3.345 -36.000 -15.350 1.00 61.54 ? 351 LEU A CG 1 +ATOM 2565 C CD1 . LEU A 1 330 ? -2.177 -35.333 -14.634 1.00 60.44 ? 351 LEU A CD1 1 +ATOM 2566 C CD2 . LEU A 1 330 ? -4.441 -34.966 -15.664 1.00 61.16 ? 351 LEU A CD2 1 +ATOM 2567 N N . GLN A 1 331 ? -2.951 -38.675 -19.101 1.00 56.14 ? 352 GLN A N 1 +ATOM 2568 C CA . GLN A 1 331 ? -2.317 -39.196 -20.300 1.00 55.53 ? 352 GLN A CA 1 +ATOM 2569 C C . GLN A 1 331 ? -3.152 -39.171 -21.584 1.00 53.30 ? 352 GLN A C 1 +ATOM 2570 O O . GLN A 1 331 ? -2.586 -39.178 -22.677 1.00 54.44 ? 352 GLN A O 1 +ATOM 2571 C CB . GLN A 1 331 ? -1.847 -40.621 -20.049 1.00 56.69 ? 352 GLN A CB 1 +ATOM 2572 C CG . GLN A 1 331 ? -1.022 -41.185 -21.182 1.00 60.59 ? 352 GLN A CG 1 +ATOM 2573 C CD . GLN A 1 331 ? -0.692 -42.656 -20.988 1.00 61.50 ? 352 GLN A CD 1 +ATOM 2574 O OE1 . GLN A 1 331 ? -1.044 -43.257 -19.965 1.00 61.94 ? 352 GLN A OE1 1 +ATOM 2575 N NE2 . GLN A 1 331 ? -0.015 -43.244 -21.973 1.00 61.56 ? 352 GLN A NE2 1 +ATOM 2576 N N . MET A 1 332 ? -4.474 -39.146 -21.475 1.00 49.67 ? 353 MET A N 1 +ATOM 2577 C CA . MET A 1 332 ? -5.311 -39.136 -22.679 1.00 48.17 ? 353 MET A CA 1 +ATOM 2578 C C . MET A 1 332 ? -5.489 -37.765 -23.355 1.00 47.74 ? 353 MET A C 1 +ATOM 2579 O O . MET A 1 332 ? -6.202 -36.876 -22.849 1.00 44.98 ? 353 MET A O 1 +ATOM 2580 C CB . MET A 1 332 ? -6.665 -39.736 -22.353 1.00 48.41 ? 353 MET A CB 1 +ATOM 2581 C CG . MET A 1 332 ? -6.584 -41.207 -21.971 1.00 51.28 ? 353 MET A CG 1 +ATOM 2582 S SD . MET A 1 332 ? -8.132 -41.809 -21.331 1.00 51.46 ? 353 MET A SD 1 +ATOM 2583 C CE . MET A 1 332 ? -7.563 -42.552 -19.807 1.00 53.93 ? 353 MET A CE 1 +ATOM 2584 N N . GLU A 1 333 ? -4.867 -37.620 -24.523 1.00 44.62 ? 354 GLU A N 1 +ATOM 2585 C CA . GLU A 1 333 ? -4.909 -36.375 -25.257 1.00 44.29 ? 354 GLU A CA 1 +ATOM 2586 C C . GLU A 1 333 ? -6.163 -36.098 -26.068 1.00 41.35 ? 354 GLU A C 1 +ATOM 2587 O O . GLU A 1 333 ? -6.670 -34.971 -26.033 1.00 41.78 ? 354 GLU A O 1 +ATOM 2588 C CB . GLU A 1 333 ? -3.666 -36.245 -26.147 1.00 48.82 ? 354 GLU A CB 1 +ATOM 2589 C CG . GLU A 1 333 ? -2.470 -35.639 -25.417 1.00 55.81 ? 354 GLU A CG 1 +ATOM 2590 C CD . GLU A 1 333 ? -1.288 -35.360 -26.344 1.00 59.87 ? 354 GLU A CD 1 +ATOM 2591 O OE1 . GLU A 1 333 ? -0.586 -36.326 -26.729 1.00 62.42 ? 354 GLU A OE1 1 +ATOM 2592 O OE2 . GLU A 1 333 ? -1.068 -34.174 -26.694 1.00 61.59 ? 354 GLU A OE2 1 +ATOM 2593 N N . TYR A 1 334 ? -6.671 -37.083 -26.803 1.00 36.10 ? 355 TYR A N 1 +ATOM 2594 C CA . TYR A 1 334 ? -7.880 -36.830 -27.564 1.00 35.12 ? 355 TYR A CA 1 +ATOM 2595 C C . TYR A 1 334 ? -9.006 -36.523 -26.570 1.00 35.05 ? 355 TYR A C 1 +ATOM 2596 O O . TYR A 1 334 ? -9.855 -35.678 -26.845 1.00 33.19 ? 355 TYR A O 1 +ATOM 2597 C CB . TYR A 1 334 ? -8.289 -38.016 -28.414 1.00 29.49 ? 355 TYR A CB 1 +ATOM 2598 C CG . TYR A 1 334 ? -9.227 -37.651 -29.524 1.00 28.69 ? 355 TYR A CG 1 +ATOM 2599 C CD1 . TYR A 1 334 ? -8.871 -36.692 -30.489 1.00 29.19 ? 355 TYR A CD1 1 +ATOM 2600 C CD2 . TYR A 1 334 ? -10.435 -38.292 -29.663 1.00 24.78 ? 355 TYR A CD2 1 +ATOM 2601 C CE1 . TYR A 1 334 ? -9.707 -36.410 -31.553 1.00 30.90 ? 355 TYR A CE1 1 +ATOM 2602 C CE2 . TYR A 1 334 ? -11.280 -38.014 -30.709 1.00 28.56 ? 355 TYR A CE2 1 +ATOM 2603 C CZ . TYR A 1 334 ? -10.916 -37.076 -31.657 1.00 29.22 ? 355 TYR A CZ 1 +ATOM 2604 O OH . TYR A 1 334 ? -11.769 -36.832 -32.694 1.00 32.57 ? 355 TYR A OH 1 +ATOM 2605 N N . LEU A 1 335 ? -9.014 -37.212 -25.432 1.00 35.24 ? 356 LEU A N 1 +ATOM 2606 C CA . LEU A 1 335 ? -10.041 -36.950 -24.413 1.00 37.87 ? 356 LEU A CA 1 +ATOM 2607 C C . LEU A 1 335 ? -9.977 -35.454 -24.063 1.00 37.14 ? 356 LEU A C 1 +ATOM 2608 O O . LEU A 1 335 ? -10.965 -34.733 -24.159 1.00 37.55 ? 356 LEU A O 1 +ATOM 2609 C CB . LEU A 1 335 ? -9.782 -37.769 -23.149 1.00 36.30 ? 356 LEU A CB 1 +ATOM 2610 C CG . LEU A 1 335 ? -10.799 -37.492 -22.032 1.00 37.37 ? 356 LEU A CG 1 +ATOM 2611 C CD1 . LEU A 1 335 ? -12.202 -37.907 -22.516 1.00 35.72 ? 356 LEU A CD1 1 +ATOM 2612 C CD2 . LEU A 1 335 ? -10.411 -38.260 -20.767 1.00 36.22 ? 356 LEU A CD2 1 +ATOM 2613 N N . ASP A 1 336 ? -8.792 -35.013 -23.665 1.00 38.61 ? 357 ASP A N 1 +ATOM 2614 C CA . ASP A 1 336 ? -8.550 -33.625 -23.319 1.00 39.52 ? 357 ASP A CA 1 +ATOM 2615 C C . ASP A 1 336 ? -8.989 -32.672 -24.437 1.00 39.98 ? 357 ASP A C 1 +ATOM 2616 O O . ASP A 1 336 ? -9.554 -31.609 -24.158 1.00 38.61 ? 357 ASP A O 1 +ATOM 2617 C CB . ASP A 1 336 ? -7.079 -33.418 -23.021 1.00 41.59 ? 357 ASP A CB 1 +ATOM 2618 C CG . ASP A 1 336 ? -6.823 -32.130 -22.290 1.00 44.95 ? 357 ASP A CG 1 +ATOM 2619 O OD1 . ASP A 1 336 ? -7.432 -31.948 -21.218 1.00 47.43 ? 357 ASP A OD1 1 +ATOM 2620 O OD2 . ASP A 1 336 ? -6.017 -31.300 -22.774 1.00 47.94 ? 357 ASP A OD2 1 +ATOM 2621 N N . MET A 1 337 ? -8.734 -33.049 -25.694 1.00 37.96 ? 358 MET A N 1 +ATOM 2622 C CA . MET A 1 337 ? -9.130 -32.251 -26.850 1.00 36.59 ? 358 MET A CA 1 +ATOM 2623 C C . MET A 1 337 ? -10.650 -32.150 -27.018 1.00 36.26 ? 358 MET A C 1 +ATOM 2624 O O . MET A 1 337 ? -11.182 -31.097 -27.374 1.00 33.78 ? 358 MET A O 1 +ATOM 2625 C CB . MET A 1 337 ? -8.546 -32.850 -28.135 1.00 38.83 ? 358 MET A CB 1 +ATOM 2626 C CG . MET A 1 337 ? -7.038 -32.644 -28.283 1.00 38.88 ? 358 MET A CG 1 +ATOM 2627 S SD . MET A 1 337 ? -6.359 -33.813 -29.477 1.00 38.94 ? 358 MET A SD 1 +ATOM 2628 C CE . MET A 1 337 ? -7.025 -33.216 -31.027 1.00 34.20 ? 358 MET A CE 1 +ATOM 2629 N N . VAL A 1 338 ? -11.337 -33.261 -26.784 1.00 34.82 ? 359 VAL A N 1 +ATOM 2630 C CA . VAL A 1 338 ? -12.788 -33.311 -26.904 1.00 35.23 ? 359 VAL A CA 1 +ATOM 2631 C C . VAL A 1 338 ? -13.466 -32.417 -25.822 1.00 33.43 ? 359 VAL A C 1 +ATOM 2632 O O . VAL A 1 338 ? -14.400 -31.667 -26.115 1.00 30.37 ? 359 VAL A O 1 +ATOM 2633 C CB . VAL A 1 338 ? -13.268 -34.764 -26.751 1.00 34.51 ? 359 VAL A CB 1 +ATOM 2634 C CG1 . VAL A 1 338 ? -14.767 -34.812 -26.531 1.00 31.83 ? 359 VAL A CG1 1 +ATOM 2635 C CG2 . VAL A 1 338 ? -12.868 -35.566 -27.984 1.00 36.44 ? 359 VAL A CG2 1 +ATOM 2636 N N . VAL A 1 339 ? -12.963 -32.518 -24.598 1.00 32.61 ? 360 VAL A N 1 +ATOM 2637 C CA . VAL A 1 339 ? -13.456 -31.747 -23.456 1.00 32.66 ? 360 VAL A CA 1 +ATOM 2638 C C . VAL A 1 339 ? -13.289 -30.253 -23.762 1.00 33.18 ? 360 VAL A C 1 +ATOM 2639 O O . VAL A 1 339 ? -14.252 -29.484 -23.672 1.00 29.25 ? 360 VAL A O 1 +ATOM 2640 C CB . VAL A 1 339 ? -12.666 -32.076 -22.137 1.00 29.67 ? 360 VAL A CB 1 +ATOM 2641 C CG1 . VAL A 1 339 ? -13.064 -31.080 -21.052 1.00 32.93 ? 360 VAL A CG1 1 +ATOM 2642 C CG2 . VAL A 1 339 ? -12.997 -33.484 -21.631 1.00 28.49 ? 360 VAL A CG2 1 +ATOM 2643 N N . ASN A 1 340 ? -12.071 -29.867 -24.163 1.00 31.99 ? 361 ASN A N 1 +ATOM 2644 C CA . ASN A 1 340 ? -11.774 -28.483 -24.485 1.00 33.36 ? 361 ASN A CA 1 +ATOM 2645 C C . ASN A 1 340 ? -12.615 -27.941 -25.609 1.00 32.26 ? 361 ASN A C 1 +ATOM 2646 O O . ASN A 1 340 ? -13.134 -26.823 -25.504 1.00 32.33 ? 361 ASN A O 1 +ATOM 2647 C CB . ASN A 1 340 ? -10.289 -28.313 -24.797 1.00 34.69 ? 361 ASN A CB 1 +ATOM 2648 C CG . ASN A 1 340 ? -9.434 -28.559 -23.577 1.00 37.50 ? 361 ASN A CG 1 +ATOM 2649 O OD1 . ASN A 1 340 ? -9.950 -28.575 -22.454 1.00 34.21 ? 361 ASN A OD1 1 +ATOM 2650 N ND2 . ASN A 1 340 ? -8.128 -28.759 -23.778 1.00 35.99 ? 361 ASN A ND2 1 +ATOM 2651 N N . GLU A 1 341 ? -12.778 -28.728 -26.675 1.00 32.76 ? 362 GLU A N 1 +ATOM 2652 C CA . GLU A 1 341 ? -13.594 -28.259 -27.805 1.00 32.53 ? 362 GLU A CA 1 +ATOM 2653 C C . GLU A 1 341 ? -15.020 -28.020 -27.361 1.00 30.52 ? 362 GLU A C 1 +ATOM 2654 O O . GLU A 1 341 ? -15.660 -27.085 -27.810 1.00 33.47 ? 362 GLU A O 1 +ATOM 2655 C CB . GLU A 1 341 ? -13.633 -29.259 -28.957 1.00 33.39 ? 362 GLU A CB 1 +ATOM 2656 C CG . GLU A 1 341 ? -13.008 -28.739 -30.239 1.00 38.30 ? 362 GLU A CG 1 +ATOM 2657 C CD . GLU A 1 341 ? -13.470 -27.348 -30.644 1.00 34.81 ? 362 GLU A CD 1 +ATOM 2658 O OE1 . GLU A 1 341 ? -14.311 -27.218 -31.552 1.00 39.94 ? 362 GLU A OE1 1 +ATOM 2659 O OE2 . GLU A 1 341 ? -12.986 -26.383 -30.055 1.00 38.19 ? 362 GLU A OE2 1 +ATOM 2660 N N . THR A 1 342 ? -15.527 -28.874 -26.490 1.00 30.91 ? 363 THR A N 1 +ATOM 2661 C CA . THR A 1 342 ? -16.893 -28.697 -26.029 1.00 30.33 ? 363 THR A CA 1 +ATOM 2662 C C . THR A 1 342 ? -16.983 -27.425 -25.217 1.00 27.90 ? 363 THR A C 1 +ATOM 2663 O O . THR A 1 342 ? -17.903 -26.641 -25.394 1.00 27.34 ? 363 THR A O 1 +ATOM 2664 C CB . THR A 1 342 ? -17.355 -29.879 -25.199 1.00 28.88 ? 363 THR A CB 1 +ATOM 2665 O OG1 . THR A 1 342 ? -17.150 -31.068 -25.965 1.00 31.31 ? 363 THR A OG1 1 +ATOM 2666 C CG2 . THR A 1 342 ? -18.858 -29.748 -24.853 1.00 24.83 ? 363 THR A CG2 1 +ATOM 2667 N N . LEU A 1 343 ? -15.994 -27.192 -24.367 1.00 27.37 ? 364 LEU A N 1 +ATOM 2668 C CA . LEU A 1 343 ? -16.014 -25.986 -23.555 1.00 27.54 ? 364 LEU A CA 1 +ATOM 2669 C C . LEU A 1 343 ? -15.880 -24.730 -24.400 1.00 28.40 ? 364 LEU A C 1 +ATOM 2670 O O . LEU A 1 343 ? -16.275 -23.641 -23.956 1.00 25.28 ? 364 LEU A O 1 +ATOM 2671 C CB . LEU A 1 343 ? -14.921 -26.026 -22.481 1.00 24.08 ? 364 LEU A CB 1 +ATOM 2672 C CG . LEU A 1 343 ? -15.370 -26.984 -21.374 1.00 26.71 ? 364 LEU A CG 1 +ATOM 2673 C CD1 . LEU A 1 343 ? -14.202 -27.332 -20.475 1.00 28.12 ? 364 LEU A CD1 1 +ATOM 2674 C CD2 . LEU A 1 343 ? -16.517 -26.335 -20.584 1.00 27.57 ? 364 LEU A CD2 1 +ATOM 2675 N N . ARG A 1 344 ? -15.301 -24.864 -25.598 1.00 26.62 ? 365 ARG A N 1 +ATOM 2676 C CA . ARG A 1 344 ? -15.167 -23.699 -26.458 1.00 26.35 ? 365 ARG A CA 1 +ATOM 2677 C C . ARG A 1 344 ? -16.561 -23.404 -26.984 1.00 25.72 ? 365 ARG A C 1 +ATOM 2678 O O . ARG A 1 344 ? -17.009 -22.261 -26.976 1.00 28.43 ? 365 ARG A O 1 +ATOM 2679 C CB . ARG A 1 344 ? -14.220 -23.938 -27.662 1.00 26.05 ? 365 ARG A CB 1 +ATOM 2680 C CG . ARG A 1 344 ? -14.305 -22.787 -28.715 1.00 30.11 ? 365 ARG A CG 1 +ATOM 2681 C CD . ARG A 1 344 ? -13.590 -23.097 -30.062 1.00 28.01 ? 365 ARG A CD 1 +ATOM 2682 N NE . ARG A 1 344 ? -14.344 -24.058 -30.868 1.00 27.86 ? 365 ARG A NE 1 +ATOM 2683 C CZ . ARG A 1 344 ? -15.365 -23.752 -31.667 1.00 27.44 ? 365 ARG A CZ 1 +ATOM 2684 N NH1 . ARG A 1 344 ? -15.779 -22.488 -31.786 1.00 29.65 ? 365 ARG A NH1 1 +ATOM 2685 N NH2 . ARG A 1 344 ? -15.976 -24.714 -32.352 1.00 26.66 ? 365 ARG A NH2 1 +ATOM 2686 N N . LEU A 1 345 ? -17.255 -24.436 -27.456 1.00 25.70 ? 366 LEU A N 1 +ATOM 2687 C CA . LEU A 1 345 ? -18.583 -24.209 -27.956 1.00 27.06 ? 366 LEU A CA 1 +ATOM 2688 C C . LEU A 1 345 ? -19.583 -23.822 -26.826 1.00 25.97 ? 366 LEU A C 1 +ATOM 2689 O O . LEU A 1 345 ? -20.476 -23.019 -27.024 1.00 25.88 ? 366 LEU A O 1 +ATOM 2690 C CB . LEU A 1 345 ? -19.067 -25.464 -28.667 1.00 28.43 ? 366 LEU A CB 1 +ATOM 2691 C CG . LEU A 1 345 ? -18.503 -25.668 -30.078 1.00 33.77 ? 366 LEU A CG 1 +ATOM 2692 C CD1 . LEU A 1 345 ? -18.735 -27.120 -30.540 1.00 30.62 ? 366 LEU A CD1 1 +ATOM 2693 C CD2 . LEU A 1 345 ? -19.176 -24.679 -31.013 1.00 33.60 ? 366 LEU A CD2 1 +ATOM 2694 N N . PHE A 1 346 ? -19.414 -24.393 -25.652 1.00 26.02 ? 367 PHE A N 1 +ATOM 2695 C CA . PHE A 1 346 ? -20.352 -24.129 -24.557 1.00 26.64 ? 367 PHE A CA 1 +ATOM 2696 C C . PHE A 1 346 ? -19.667 -23.710 -23.264 1.00 24.38 ? 367 PHE A C 1 +ATOM 2697 O O . PHE A 1 346 ? -19.593 -24.468 -22.301 1.00 27.88 ? 367 PHE A O 1 +ATOM 2698 C CB . PHE A 1 346 ? -21.217 -25.370 -24.339 1.00 26.47 ? 367 PHE A CB 1 +ATOM 2699 C CG . PHE A 1 346 ? -21.866 -25.848 -25.596 1.00 29.95 ? 367 PHE A CG 1 +ATOM 2700 C CD1 . PHE A 1 346 ? -21.328 -26.913 -26.312 1.00 30.66 ? 367 PHE A CD1 1 +ATOM 2701 C CD2 . PHE A 1 346 ? -22.960 -25.179 -26.114 1.00 31.74 ? 367 PHE A CD2 1 +ATOM 2702 C CE1 . PHE A 1 346 ? -21.870 -27.300 -27.533 1.00 34.44 ? 367 PHE A CE1 1 +ATOM 2703 C CE2 . PHE A 1 346 ? -23.526 -25.551 -27.346 1.00 34.80 ? 367 PHE A CE2 1 +ATOM 2704 C CZ . PHE A 1 346 ? -22.980 -26.617 -28.068 1.00 32.49 ? 367 PHE A CZ 1 +ATOM 2705 N N . PRO A 1 347 ? -19.154 -22.481 -23.235 1.00 22.94 ? 368 PRO A N 1 +ATOM 2706 C CA . PRO A 1 347 ? -18.487 -21.983 -22.052 1.00 22.87 ? 368 PRO A CA 1 +ATOM 2707 C C . PRO A 1 347 ? -19.671 -21.568 -21.163 1.00 26.89 ? 368 PRO A C 1 +ATOM 2708 O O . PRO A 1 347 ? -20.217 -20.476 -21.303 1.00 25.15 ? 368 PRO A O 1 +ATOM 2709 C CB . PRO A 1 347 ? -17.700 -20.830 -22.593 1.00 20.91 ? 368 PRO A CB 1 +ATOM 2710 C CG . PRO A 1 347 ? -18.623 -20.263 -23.628 1.00 22.74 ? 368 PRO A CG 1 +ATOM 2711 C CD . PRO A 1 347 ? -19.204 -21.460 -24.294 1.00 23.00 ? 368 PRO A CD 1 +ATOM 2712 N N . ILE A 1 348 ? -20.069 -22.465 -20.267 1.00 27.30 ? 369 ILE A N 1 +ATOM 2713 C CA . ILE A 1 348 ? -21.239 -22.197 -19.449 1.00 29.02 ? 369 ILE A CA 1 +ATOM 2714 C C . ILE A 1 348 ? -21.296 -20.938 -18.589 1.00 28.44 ? 369 ILE A C 1 +ATOM 2715 O O . ILE A 1 348 ? -22.393 -20.498 -18.287 1.00 31.24 ? 369 ILE A O 1 +ATOM 2716 C CB . ILE A 1 348 ? -21.627 -23.434 -18.627 1.00 29.88 ? 369 ILE A CB 1 +ATOM 2717 C CG1 . ILE A 1 348 ? -20.483 -23.816 -17.690 1.00 31.06 ? 369 ILE A CG1 1 +ATOM 2718 C CG2 . ILE A 1 348 ? -22.041 -24.569 -19.585 1.00 26.55 ? 369 ILE A CG2 1 +ATOM 2719 C CD1 . ILE A 1 348 ? -20.937 -24.708 -16.611 1.00 34.34 ? 369 ILE A CD1 1 +ATOM 2720 N N . ALA A 1 349 ? -20.159 -20.354 -18.190 1.00 27.67 ? 370 ALA A N 1 +ATOM 2721 C CA . ALA A 1 349 ? -20.204 -19.105 -17.441 1.00 26.68 ? 370 ALA A CA 1 +ATOM 2722 C C . ALA A 1 349 ? -20.695 -17.962 -18.341 1.00 26.43 ? 370 ALA A C 1 +ATOM 2723 O O . ALA A 1 349 ? -21.131 -16.916 -17.848 1.00 27.65 ? 370 ALA A O 1 +ATOM 2724 C CB . ALA A 1 349 ? -18.861 -18.743 -16.885 1.00 27.57 ? 370 ALA A CB 1 +ATOM 2725 N N . MET A 1 350 ? -20.604 -18.164 -19.644 1.00 24.49 ? 371 MET A N 1 +ATOM 2726 C CA . MET A 1 350 ? -21.041 -17.192 -20.648 1.00 27.02 ? 371 MET A CA 1 +ATOM 2727 C C . MET A 1 350 ? -20.237 -15.902 -20.739 1.00 27.29 ? 371 MET A C 1 +ATOM 2728 O O . MET A 1 350 ? -19.828 -15.495 -21.832 1.00 28.19 ? 371 MET A O 1 +ATOM 2729 C CB . MET A 1 350 ? -22.526 -16.853 -20.439 1.00 30.15 ? 371 MET A CB 1 +ATOM 2730 C CG . MET A 1 350 ? -23.462 -18.049 -20.701 1.00 32.62 ? 371 MET A CG 1 +ATOM 2731 S SD . MET A 1 350 ? -25.191 -17.784 -20.111 1.00 40.16 ? 371 MET A SD 1 +ATOM 2732 C CE . MET A 1 350 ? -24.881 -17.553 -18.329 1.00 32.04 ? 371 MET A CE 1 +ATOM 2733 N N . ARG A 1 351 ? -20.003 -15.278 -19.592 1.00 26.31 ? 372 ARG A N 1 +ATOM 2734 C CA . ARG A 1 351 ? -19.297 -14.006 -19.486 1.00 27.75 ? 372 ARG A CA 1 +ATOM 2735 C C . ARG A 1 351 ? -18.426 -14.079 -18.234 1.00 26.56 ? 372 ARG A C 1 +ATOM 2736 O O . ARG A 1 351 ? -18.720 -14.834 -17.338 1.00 27.88 ? 372 ARG A O 1 +ATOM 2737 C CB . ARG A 1 351 ? -20.279 -12.865 -19.275 1.00 26.25 ? 372 ARG A CB 1 +ATOM 2738 C CG . ARG A 1 351 ? -21.340 -12.689 -20.315 1.00 31.27 ? 372 ARG A CG 1 +ATOM 2739 C CD . ARG A 1 351 ? -22.373 -11.719 -19.770 1.00 30.65 ? 372 ARG A CD 1 +ATOM 2740 N NE . ARG A 1 351 ? -23.099 -11.035 -20.838 1.00 30.16 ? 372 ARG A NE 1 +ATOM 2741 C CZ . ARG A 1 351 ? -23.983 -10.070 -20.631 1.00 28.99 ? 372 ARG A CZ 1 +ATOM 2742 N NH1 . ARG A 1 351 ? -24.266 -9.676 -19.400 1.00 31.57 ? 372 ARG A NH1 1 +ATOM 2743 N NH2 . ARG A 1 351 ? -24.565 -9.469 -21.655 1.00 28.54 ? 372 ARG A NH2 1 +ATOM 2744 N N . LEU A 1 352 ? -17.376 -13.274 -18.184 1.00 26.82 ? 373 LEU A N 1 +ATOM 2745 C CA . LEU A 1 352 ? -16.479 -13.198 -17.052 1.00 27.10 ? 373 LEU A CA 1 +ATOM 2746 C C . LEU A 1 352 ? -16.692 -11.749 -16.634 1.00 28.49 ? 373 LEU A C 1 +ATOM 2747 O O . LEU A 1 352 ? -16.838 -10.882 -17.487 1.00 30.40 ? 373 LEU A O 1 +ATOM 2748 C CB . LEU A 1 352 ? -15.027 -13.425 -17.511 1.00 31.37 ? 373 LEU A CB 1 +ATOM 2749 C CG . LEU A 1 352 ? -14.403 -14.841 -17.513 1.00 34.29 ? 373 LEU A CG 1 +ATOM 2750 C CD1 . LEU A 1 352 ? -15.434 -15.933 -17.350 1.00 33.88 ? 373 LEU A CD1 1 +ATOM 2751 C CD2 . LEU A 1 352 ? -13.603 -15.045 -18.787 1.00 37.28 ? 373 LEU A CD2 1 +ATOM 2752 N N . GLU A 1 353 ? -16.747 -11.481 -15.335 1.00 26.79 ? 374 GLU A N 1 +ATOM 2753 C CA . GLU A 1 353 ? -16.992 -10.120 -14.876 1.00 29.36 ? 374 GLU A CA 1 +ATOM 2754 C C . GLU A 1 353 ? -16.150 -9.663 -13.735 1.00 24.78 ? 374 GLU A C 1 +ATOM 2755 O O . GLU A 1 353 ? -15.763 -10.431 -12.886 1.00 30.98 ? 374 GLU A O 1 +ATOM 2756 C CB . GLU A 1 353 ? -18.465 -9.923 -14.493 1.00 30.45 ? 374 GLU A CB 1 +ATOM 2757 C CG . GLU A 1 353 ? -19.324 -9.614 -15.691 1.00 37.02 ? 374 GLU A CG 1 +ATOM 2758 C CD . GLU A 1 353 ? -20.819 -9.604 -15.400 1.00 40.04 ? 374 GLU A CD 1 +ATOM 2759 O OE1 . GLU A 1 353 ? -21.216 -9.503 -14.213 1.00 40.24 ? 374 GLU A OE1 1 +ATOM 2760 O OE2 . GLU A 1 353 ? -21.588 -9.683 -16.389 1.00 43.24 ? 374 GLU A OE2 1 +ATOM 2761 N N . ARG A 1 354 ? -15.903 -8.370 -13.732 1.00 27.88 ? 375 ARG A N 1 +ATOM 2762 C CA . ARG A 1 354 ? -15.113 -7.725 -12.718 1.00 29.11 ? 375 ARG A CA 1 +ATOM 2763 C C . ARG A 1 354 ? -15.585 -6.287 -12.569 1.00 30.41 ? 375 ARG A C 1 +ATOM 2764 O O . ARG A 1 354 ? -15.854 -5.584 -13.563 1.00 32.74 ? 375 ARG A O 1 +ATOM 2765 C CB . ARG A 1 354 ? -13.635 -7.742 -13.130 1.00 31.53 ? 375 ARG A CB 1 +ATOM 2766 C CG . ARG A 1 354 ? -13.022 -9.130 -13.237 1.00 30.69 ? 375 ARG A CG 1 +ATOM 2767 C CD . ARG A 1 354 ? -12.820 -9.783 -11.896 1.00 32.17 ? 375 ARG A CD 1 +ATOM 2768 N NE . ARG A 1 354 ? -12.048 -10.997 -12.093 1.00 35.58 ? 375 ARG A NE 1 +ATOM 2769 C CZ . ARG A 1 354 ? -12.544 -12.152 -12.522 1.00 38.42 ? 375 ARG A CZ 1 +ATOM 2770 N NH1 . ARG A 1 354 ? -13.846 -12.265 -12.790 1.00 36.84 ? 375 ARG A NH1 1 +ATOM 2771 N NH2 . ARG A 1 354 ? -11.725 -13.185 -12.724 1.00 37.47 ? 375 ARG A NH2 1 +ATOM 2772 N N . VAL A 1 355 ? -15.705 -5.847 -11.324 1.00 31.54 ? 376 VAL A N 1 +ATOM 2773 C CA . VAL A 1 355 ? -16.122 -4.486 -11.057 1.00 32.31 ? 376 VAL A CA 1 +ATOM 2774 C C . VAL A 1 355 ? -14.858 -3.633 -11.008 1.00 34.16 ? 376 VAL A C 1 +ATOM 2775 O O . VAL A 1 355 ? -13.843 -4.053 -10.449 1.00 35.67 ? 376 VAL A O 1 +ATOM 2776 C CB . VAL A 1 355 ? -16.820 -4.353 -9.673 1.00 31.32 ? 376 VAL A CB 1 +ATOM 2777 C CG1 . VAL A 1 355 ? -16.951 -2.902 -9.324 1.00 30.97 ? 376 VAL A CG1 1 +ATOM 2778 C CG2 . VAL A 1 355 ? -18.196 -5.063 -9.684 1.00 29.81 ? 376 VAL A CG2 1 +ATOM 2779 N N . CYS A 1 356 ? -14.923 -2.447 -11.595 1.00 35.42 ? 377 CYS A N 1 +ATOM 2780 C CA . CYS A 1 356 ? -13.786 -1.533 -11.584 1.00 38.39 ? 377 CYS A CA 1 +ATOM 2781 C C . CYS A 1 356 ? -13.908 -0.762 -10.288 1.00 38.53 ? 377 CYS A C 1 +ATOM 2782 O O . CYS A 1 356 ? -14.807 0.061 -10.140 1.00 38.84 ? 377 CYS A O 1 +ATOM 2783 C CB . CYS A 1 356 ? -13.858 -0.572 -12.760 1.00 38.95 ? 377 CYS A CB 1 +ATOM 2784 S SG . CYS A 1 356 ? -12.487 0.580 -12.857 1.00 41.75 ? 377 CYS A SG 1 +ATOM 2785 N N . LYS A 1 357 ? -13.020 -1.056 -9.350 1.00 41.14 ? 378 LYS A N 1 +ATOM 2786 C CA . LYS A 1 357 ? -13.021 -0.416 -8.034 1.00 46.92 ? 378 LYS A CA 1 +ATOM 2787 C C . LYS A 1 357 ? -12.600 1.045 -8.053 1.00 48.35 ? 378 LYS A C 1 +ATOM 2788 O O . LYS A 1 357 ? -12.750 1.741 -7.050 1.00 49.40 ? 378 LYS A O 1 +ATOM 2789 C CB . LYS A 1 357 ? -12.073 -1.146 -7.089 1.00 47.54 ? 378 LYS A CB 1 +ATOM 2790 C CG . LYS A 1 357 ? -12.400 -2.582 -6.861 1.00 51.50 ? 378 LYS A CG 1 +ATOM 2791 C CD . LYS A 1 357 ? -11.164 -3.387 -6.435 1.00 52.83 ? 378 LYS A CD 1 +ATOM 2792 C CE . LYS A 1 357 ? -10.605 -2.926 -5.112 1.00 54.44 ? 378 LYS A CE 1 +ATOM 2793 N NZ . LYS A 1 357 ? -9.633 -3.937 -4.586 1.00 55.21 ? 378 LYS A NZ 1 +ATOM 2794 N N . LYS A 1 358 ? -12.057 1.510 -9.175 1.00 50.30 ? 379 LYS A N 1 +ATOM 2795 C CA . LYS A 1 358 ? -11.597 2.885 -9.240 1.00 51.39 ? 379 LYS A CA 1 +ATOM 2796 C C . LYS A 1 358 ? -11.180 3.307 -10.630 1.00 52.02 ? 379 LYS A C 1 +ATOM 2797 O O . LYS A 1 358 ? -10.781 2.480 -11.449 1.00 50.74 ? 379 LYS A O 1 +ATOM 2798 C CB . LYS A 1 358 ? -10.418 3.077 -8.295 1.00 50.92 ? 379 LYS A CB 1 +ATOM 2799 C CG . LYS A 1 358 ? -9.230 2.191 -8.599 1.00 52.45 ? 379 LYS A CG 1 +ATOM 2800 C CD . LYS A 1 358 ? -8.085 2.468 -7.632 1.00 55.49 ? 379 LYS A CD 1 +ATOM 2801 C CE . LYS A 1 358 ? -6.838 1.673 -7.982 1.00 56.79 ? 379 LYS A CE 1 +ATOM 2802 N NZ . LYS A 1 358 ? -5.737 1.912 -6.997 1.00 58.99 ? 379 LYS A NZ 1 +ATOM 2803 N N . ASP A 1 359 ? -11.281 4.611 -10.880 1.00 52.94 ? 380 ASP A N 1 +ATOM 2804 C CA . ASP A 1 359 ? -10.907 5.183 -12.161 1.00 53.77 ? 380 ASP A CA 1 +ATOM 2805 C C . ASP A 1 359 ? -9.552 4.635 -12.560 1.00 53.28 ? 380 ASP A C 1 +ATOM 2806 O O . ASP A 1 359 ? -8.630 4.565 -11.751 1.00 51.90 ? 380 ASP A O 1 +ATOM 2807 C CB . ASP A 1 359 ? -10.840 6.708 -12.056 1.00 55.73 ? 380 ASP A CB 1 +ATOM 2808 C CG . ASP A 1 359 ? -12.202 7.365 -12.184 1.00 57.88 ? 380 ASP A CG 1 +ATOM 2809 O OD1 . ASP A 1 359 ? -13.219 6.664 -11.993 1.00 59.06 ? 380 ASP A OD1 1 +ATOM 2810 O OD2 . ASP A 1 359 ? -12.260 8.587 -12.468 1.00 58.06 ? 380 ASP A OD2 1 +ATOM 2811 N N . VAL A 1 360 ? -9.448 4.208 -13.807 1.00 54.45 ? 381 VAL A N 1 +ATOM 2812 C CA . VAL A 1 360 ? -8.203 3.675 -14.315 1.00 54.40 ? 381 VAL A CA 1 +ATOM 2813 C C . VAL A 1 360 ? -8.150 3.749 -15.809 1.00 55.89 ? 381 VAL A C 1 +ATOM 2814 O O . VAL A 1 360 ? -9.144 4.040 -16.497 1.00 55.70 ? 381 VAL A O 1 +ATOM 2815 C CB . VAL A 1 360 ? -7.991 2.206 -13.945 1.00 54.16 ? 381 VAL A CB 1 +ATOM 2816 C CG1 . VAL A 1 360 ? -7.738 2.083 -12.487 1.00 56.34 ? 381 VAL A CG1 1 +ATOM 2817 C CG2 . VAL A 1 360 ? -9.203 1.382 -14.349 1.00 52.80 ? 381 VAL A CG2 1 +ATOM 2818 N N . GLU A 1 361 ? -6.954 3.495 -16.304 1.00 57.97 ? 382 GLU A N 1 +ATOM 2819 C CA . GLU A 1 361 ? -6.708 3.477 -17.716 1.00 59.07 ? 382 GLU A CA 1 +ATOM 2820 C C . GLU A 1 361 ? -5.944 2.193 -17.888 1.00 59.32 ? 382 GLU A C 1 +ATOM 2821 O O . GLU A 1 361 ? -4.981 1.923 -17.160 1.00 59.13 ? 382 GLU A O 1 +ATOM 2822 C CB . GLU A 1 361 ? -5.845 4.660 -18.151 1.00 61.36 ? 382 GLU A CB 1 +ATOM 2823 C CG . GLU A 1 361 ? -5.626 4.716 -19.667 1.00 64.64 ? 382 GLU A CG 1 +ATOM 2824 C CD . GLU A 1 361 ? -4.693 5.841 -20.087 1.00 66.86 ? 382 GLU A CD 1 +ATOM 2825 O OE1 . GLU A 1 361 ? -4.436 5.979 -21.303 1.00 67.44 ? 382 GLU A OE1 1 +ATOM 2826 O OE2 . GLU A 1 361 ? -4.216 6.587 -19.199 1.00 67.43 ? 382 GLU A OE2 1 +ATOM 2827 N N . ILE A 1 362 ? -6.416 1.376 -18.815 1.00 58.60 ? 383 ILE A N 1 +ATOM 2828 C CA . ILE A 1 362 ? -5.766 0.126 -19.109 1.00 58.07 ? 383 ILE A CA 1 +ATOM 2829 C C . ILE A 1 362 ? -5.566 0.196 -20.607 1.00 58.06 ? 383 ILE A C 1 +ATOM 2830 O O . ILE A 1 362 ? -6.508 0.456 -21.360 1.00 56.92 ? 383 ILE A O 1 +ATOM 2831 C CB . ILE A 1 362 ? -6.638 -1.060 -18.664 1.00 57.99 ? 383 ILE A CB 1 +ATOM 2832 C CG1 . ILE A 1 362 ? -8.052 -0.934 -19.223 1.00 57.90 ? 383 ILE A CG1 1 +ATOM 2833 C CG2 . ILE A 1 362 ? -6.708 -1.082 -17.148 1.00 57.78 ? 383 ILE A CG2 1 +ATOM 2834 C CD1 . ILE A 1 362 ? -8.939 -2.093 -18.833 1.00 59.93 ? 383 ILE A CD1 1 +ATOM 2835 N N . ASN A 1 363 ? -4.311 0.019 -21.017 1.00 58.94 ? 384 ASN A N 1 +ATOM 2836 C CA . ASN A 1 363 ? -3.899 0.110 -22.411 1.00 58.45 ? 384 ASN A CA 1 +ATOM 2837 C C . ASN A 1 363 ? -4.734 0.994 -23.332 1.00 58.38 ? 384 ASN A C 1 +ATOM 2838 O O . ASN A 1 363 ? -5.348 0.523 -24.291 1.00 58.46 ? 384 ASN A O 1 +ATOM 2839 C CB . ASN A 1 363 ? -3.710 -1.286 -23.029 1.00 61.00 ? 384 ASN A CB 1 +ATOM 2840 C CG . ASN A 1 363 ? -4.699 -2.297 -22.522 1.00 62.05 ? 384 ASN A CG 1 +ATOM 2841 O OD1 . ASN A 1 363 ? -5.853 -2.322 -22.951 1.00 64.97 ? 384 ASN A OD1 1 +ATOM 2842 N ND2 . ASN A 1 363 ? -4.253 -3.147 -21.599 1.00 62.67 ? 384 ASN A ND2 1 +ATOM 2843 N N . GLY A 1 364 ? -4.754 2.288 -23.034 1.00 57.48 ? 385 GLY A N 1 +ATOM 2844 C CA . GLY A 1 364 ? -5.462 3.209 -23.899 1.00 58.58 ? 385 GLY A CA 1 +ATOM 2845 C C . GLY A 1 364 ? -6.761 3.849 -23.461 1.00 58.96 ? 385 GLY A C 1 +ATOM 2846 O O . GLY A 1 364 ? -6.954 5.052 -23.664 1.00 60.24 ? 385 GLY A O 1 +ATOM 2847 N N . MET A 1 365 ? -7.663 3.071 -22.870 1.00 59.06 ? 386 MET A N 1 +ATOM 2848 C CA . MET A 1 365 ? -8.940 3.633 -22.456 1.00 56.89 ? 386 MET A CA 1 +ATOM 2849 C C . MET A 1 365 ? -9.131 3.729 -20.958 1.00 54.41 ? 386 MET A C 1 +ATOM 2850 O O . MET A 1 365 ? -8.665 2.889 -20.184 1.00 53.66 ? 386 MET A O 1 +ATOM 2851 C CB . MET A 1 365 ? -10.094 2.833 -23.049 1.00 58.60 ? 386 MET A CB 1 +ATOM 2852 C CG . MET A 1 365 ? -10.394 1.542 -22.317 1.00 58.24 ? 386 MET A CG 1 +ATOM 2853 S SD . MET A 1 365 ? -11.601 0.622 -23.266 1.00 59.16 ? 386 MET A SD 1 +ATOM 2854 C CE . MET A 1 365 ? -12.868 1.836 -23.440 1.00 58.46 ? 386 MET A CE 1 +ATOM 2855 N N . PHE A 1 366 ? -9.843 4.779 -20.583 1.00 51.34 ? 387 PHE A N 1 +ATOM 2856 C CA . PHE A 1 366 ? -10.161 5.075 -19.209 1.00 50.03 ? 387 PHE A CA 1 +ATOM 2857 C C . PHE A 1 366 ? -11.474 4.360 -18.830 1.00 48.45 ? 387 PHE A C 1 +ATOM 2858 O O . PHE A 1 366 ? -12.472 4.404 -19.566 1.00 47.82 ? 387 PHE A O 1 +ATOM 2859 C CB . PHE A 1 366 ? -10.264 6.600 -19.065 1.00 49.00 ? 387 PHE A CB 1 +ATOM 2860 C CG . PHE A 1 366 ? -11.052 7.065 -17.877 1.00 49.26 ? 387 PHE A CG 1 +ATOM 2861 C CD1 . PHE A 1 366 ? -12.409 7.367 -18.002 1.00 49.29 ? 387 PHE A CD1 1 +ATOM 2862 C CD2 . PHE A 1 366 ? -10.439 7.226 -16.640 1.00 49.09 ? 387 PHE A CD2 1 +ATOM 2863 C CE1 . PHE A 1 366 ? -13.140 7.826 -16.909 1.00 49.09 ? 387 PHE A CE1 1 +ATOM 2864 C CE2 . PHE A 1 366 ? -11.163 7.685 -15.538 1.00 49.98 ? 387 PHE A CE2 1 +ATOM 2865 C CZ . PHE A 1 366 ? -12.519 7.988 -15.670 1.00 48.93 ? 387 PHE A CZ 1 +ATOM 2866 N N . ILE A 1 367 ? -11.438 3.679 -17.691 1.00 46.61 ? 388 ILE A N 1 +ATOM 2867 C CA . ILE A 1 367 ? -12.589 2.957 -17.173 1.00 44.73 ? 388 ILE A CA 1 +ATOM 2868 C C . ILE A 1 367 ? -12.991 3.634 -15.866 1.00 43.72 ? 388 ILE A C 1 +ATOM 2869 O O . ILE A 1 367 ? -12.214 3.678 -14.916 1.00 44.94 ? 388 ILE A O 1 +ATOM 2870 C CB . ILE A 1 367 ? -12.239 1.514 -16.854 1.00 45.43 ? 388 ILE A CB 1 +ATOM 2871 C CG1 . ILE A 1 367 ? -11.430 0.892 -17.993 1.00 45.42 ? 388 ILE A CG1 1 +ATOM 2872 C CG2 . ILE A 1 367 ? -13.523 0.735 -16.584 1.00 45.18 ? 388 ILE A CG2 1 +ATOM 2873 C CD1 . ILE A 1 367 ? -12.176 0.791 -19.287 1.00 47.45 ? 388 ILE A CD1 1 +ATOM 2874 N N . PRO A 1 368 ? -14.212 4.181 -15.798 1.00 43.50 ? 389 PRO A N 1 +ATOM 2875 C CA . PRO A 1 368 ? -14.639 4.846 -14.558 1.00 42.59 ? 389 PRO A CA 1 +ATOM 2876 C C . PRO A 1 368 ? -14.846 3.875 -13.400 1.00 42.11 ? 389 PRO A C 1 +ATOM 2877 O O . PRO A 1 368 ? -15.028 2.675 -13.607 1.00 42.69 ? 389 PRO A O 1 +ATOM 2878 C CB . PRO A 1 368 ? -15.960 5.520 -14.954 1.00 42.35 ? 389 PRO A CB 1 +ATOM 2879 C CG . PRO A 1 368 ? -15.943 5.553 -16.444 1.00 41.43 ? 389 PRO A CG 1 +ATOM 2880 C CD . PRO A 1 368 ? -15.247 4.298 -16.840 1.00 41.78 ? 389 PRO A CD 1 +ATOM 2881 N N . LYS A 1 369 ? -14.820 4.398 -12.180 1.00 41.45 ? 390 LYS A N 1 +ATOM 2882 C CA . LYS A 1 369 ? -15.055 3.587 -10.991 1.00 40.90 ? 390 LYS A CA 1 +ATOM 2883 C C . LYS A 1 369 ? -16.487 3.054 -11.091 1.00 39.44 ? 390 LYS A C 1 +ATOM 2884 O O . LYS A 1 369 ? -17.348 3.710 -11.677 1.00 37.86 ? 390 LYS A O 1 +ATOM 2885 C CB . LYS A 1 369 ? -14.923 4.466 -9.749 1.00 44.05 ? 390 LYS A CB 1 +ATOM 2886 C CG . LYS A 1 369 ? -15.400 3.855 -8.432 1.00 47.18 ? 390 LYS A CG 1 +ATOM 2887 C CD . LYS A 1 369 ? -14.977 4.763 -7.272 1.00 49.19 ? 390 LYS A CD 1 +ATOM 2888 C CE . LYS A 1 369 ? -15.652 4.403 -5.964 1.00 51.12 ? 390 LYS A CE 1 +ATOM 2889 N NZ . LYS A 1 369 ? -17.036 4.981 -5.840 1.00 54.79 ? 390 LYS A NZ 1 +ATOM 2890 N N . GLY A 1 370 ? -16.730 1.863 -10.541 1.00 38.54 ? 391 GLY A N 1 +ATOM 2891 C CA . GLY A 1 370 ? -18.070 1.286 -10.565 1.00 35.98 ? 391 GLY A CA 1 +ATOM 2892 C C . GLY A 1 370 ? -18.573 0.588 -11.823 1.00 33.56 ? 391 GLY A C 1 +ATOM 2893 O O . GLY A 1 370 ? -19.592 -0.095 -11.776 1.00 33.84 ? 391 GLY A O 1 +ATOM 2894 N N . VAL A 1 371 ? -17.896 0.785 -12.950 1.00 31.42 ? 392 VAL A N 1 +ATOM 2895 C CA . VAL A 1 371 ? -18.294 0.147 -14.193 1.00 30.62 ? 392 VAL A CA 1 +ATOM 2896 C C . VAL A 1 371 ? -18.035 -1.348 -14.064 1.00 28.32 ? 392 VAL A C 1 +ATOM 2897 O O . VAL A 1 371 ? -17.095 -1.785 -13.387 1.00 29.33 ? 392 VAL A O 1 +ATOM 2898 C CB . VAL A 1 371 ? -17.483 0.719 -15.406 1.00 33.69 ? 392 VAL A CB 1 +ATOM 2899 C CG1 . VAL A 1 371 ? -17.562 -0.218 -16.617 1.00 30.99 ? 392 VAL A CG1 1 +ATOM 2900 C CG2 . VAL A 1 371 ? -18.033 2.087 -15.771 1.00 33.99 ? 392 VAL A CG2 1 +ATOM 2901 N N . VAL A 1 372 ? -18.886 -2.147 -14.675 1.00 26.73 ? 393 VAL A N 1 +ATOM 2902 C CA . VAL A 1 372 ? -18.653 -3.580 -14.607 1.00 28.36 ? 393 VAL A CA 1 +ATOM 2903 C C . VAL A 1 372 ? -17.878 -3.948 -15.880 1.00 27.70 ? 393 VAL A C 1 +ATOM 2904 O O . VAL A 1 372 ? -18.380 -3.746 -16.979 1.00 30.10 ? 393 VAL A O 1 +ATOM 2905 C CB . VAL A 1 372 ? -19.967 -4.400 -14.572 1.00 27.65 ? 393 VAL A CB 1 +ATOM 2906 C CG1 . VAL A 1 372 ? -19.635 -5.902 -14.671 1.00 25.79 ? 393 VAL A CG1 1 +ATOM 2907 C CG2 . VAL A 1 372 ? -20.744 -4.142 -13.216 1.00 28.18 ? 393 VAL A CG2 1 +ATOM 2908 N N . VAL A 1 373 ? -16.669 -4.480 -15.743 1.00 28.09 ? 394 VAL A N 1 +ATOM 2909 C CA . VAL A 1 373 ? -15.926 -4.866 -16.955 1.00 27.40 ? 394 VAL A CA 1 +ATOM 2910 C C . VAL A 1 373 ? -16.272 -6.304 -17.268 1.00 27.28 ? 394 VAL A C 1 +ATOM 2911 O O . VAL A 1 373 ? -16.085 -7.201 -16.453 1.00 28.62 ? 394 VAL A O 1 +ATOM 2912 C CB . VAL A 1 373 ? -14.408 -4.652 -16.781 1.00 26.43 ? 394 VAL A CB 1 +ATOM 2913 C CG1 . VAL A 1 373 ? -13.617 -5.207 -17.997 1.00 28.25 ? 394 VAL A CG1 1 +ATOM 2914 C CG2 . VAL A 1 373 ? -14.162 -3.182 -16.679 1.00 28.26 ? 394 VAL A CG2 1 +ATOM 2915 N N . MET A 1 374 ? -16.826 -6.503 -18.452 1.00 28.76 ? 395 MET A N 1 +ATOM 2916 C CA . MET A 1 374 ? -17.264 -7.826 -18.874 1.00 29.99 ? 395 MET A CA 1 +ATOM 2917 C C . MET A 1 374 ? -16.532 -8.397 -20.085 1.00 29.09 ? 395 MET A C 1 +ATOM 2918 O O . MET A 1 374 ? -16.313 -7.689 -21.074 1.00 29.39 ? 395 MET A O 1 +ATOM 2919 C CB . MET A 1 374 ? -18.737 -7.787 -19.191 1.00 27.38 ? 395 MET A CB 1 +ATOM 2920 C CG . MET A 1 374 ? -19.378 -9.142 -19.518 1.00 30.99 ? 395 MET A CG 1 +ATOM 2921 S SD . MET A 1 374 ? -19.319 -9.621 -21.257 1.00 33.78 ? 395 MET A SD 1 +ATOM 2922 C CE . MET A 1 374 ? -20.635 -8.612 -21.923 1.00 30.37 ? 395 MET A CE 1 +ATOM 2923 N N . ILE A 1 375 ? -16.161 -9.673 -19.980 1.00 28.79 ? 396 ILE A N 1 +ATOM 2924 C CA . ILE A 1 375 ? -15.475 -10.387 -21.063 1.00 28.84 ? 396 ILE A CA 1 +ATOM 2925 C C . ILE A 1 375 ? -16.462 -11.414 -21.587 1.00 27.45 ? 396 ILE A C 1 +ATOM 2926 O O . ILE A 1 375 ? -16.779 -12.406 -20.920 1.00 27.01 ? 396 ILE A O 1 +ATOM 2927 C CB . ILE A 1 375 ? -14.234 -11.071 -20.532 1.00 30.37 ? 396 ILE A CB 1 +ATOM 2928 C CG1 . ILE A 1 375 ? -13.278 -9.998 -20.013 1.00 32.39 ? 396 ILE A CG1 1 +ATOM 2929 C CG2 . ILE A 1 375 ? -13.584 -11.956 -21.629 1.00 31.72 ? 396 ILE A CG2 1 +ATOM 2930 C CD1 . ILE A 1 375 ? -12.462 -10.467 -18.867 1.00 35.88 ? 396 ILE A CD1 1 +ATOM 2931 N N . PRO A 1 376 ? -16.942 -11.204 -22.814 1.00 26.56 ? 397 PRO A N 1 +ATOM 2932 C CA . PRO A 1 376 ? -17.911 -12.115 -23.412 1.00 27.63 ? 397 PRO A CA 1 +ATOM 2933 C C . PRO A 1 376 ? -17.337 -13.411 -23.961 1.00 27.97 ? 397 PRO A C 1 +ATOM 2934 O O . PRO A 1 376 ? -17.201 -13.562 -25.169 1.00 30.36 ? 397 PRO A O 1 +ATOM 2935 C CB . PRO A 1 376 ? -18.578 -11.246 -24.462 1.00 26.76 ? 397 PRO A CB 1 +ATOM 2936 C CG . PRO A 1 376 ? -17.455 -10.343 -24.905 1.00 27.55 ? 397 PRO A CG 1 +ATOM 2937 C CD . PRO A 1 376 ? -16.735 -10.006 -23.638 1.00 26.89 ? 397 PRO A CD 1 +ATOM 2938 N N . SER A 1 377 ? -17.043 -14.332 -23.047 1.00 28.41 ? 398 SER A N 1 +ATOM 2939 C CA . SER A 1 377 ? -16.480 -15.626 -23.363 1.00 28.96 ? 398 SER A CA 1 +ATOM 2940 C C . SER A 1 377 ? -17.265 -16.313 -24.470 1.00 30.87 ? 398 SER A C 1 +ATOM 2941 O O . SER A 1 377 ? -16.687 -16.711 -25.488 1.00 28.04 ? 398 SER A O 1 +ATOM 2942 C CB . SER A 1 377 ? -16.433 -16.535 -22.117 1.00 28.85 ? 398 SER A CB 1 +ATOM 2943 O OG . SER A 1 377 ? -15.631 -15.967 -21.079 1.00 28.90 ? 398 SER A OG 1 +ATOM 2944 N N . TYR A 1 378 ? -18.578 -16.445 -24.308 1.00 27.08 ? 399 TYR A N 1 +ATOM 2945 C CA . TYR A 1 378 ? -19.307 -17.121 -25.351 1.00 28.45 ? 399 TYR A CA 1 +ATOM 2946 C C . TYR A 1 378 ? -19.024 -16.524 -26.727 1.00 31.81 ? 399 TYR A C 1 +ATOM 2947 O O . TYR A 1 378 ? -18.828 -17.264 -27.709 1.00 32.07 ? 399 TYR A O 1 +ATOM 2948 C CB . TYR A 1 378 ? -20.793 -17.069 -25.120 1.00 28.57 ? 399 TYR A CB 1 +ATOM 2949 C CG . TYR A 1 378 ? -21.535 -17.907 -26.103 1.00 27.06 ? 399 TYR A CG 1 +ATOM 2950 C CD1 . TYR A 1 378 ? -21.640 -19.274 -25.931 1.00 25.49 ? 399 TYR A CD1 1 +ATOM 2951 C CD2 . TYR A 1 378 ? -22.119 -17.332 -27.222 1.00 30.72 ? 399 TYR A CD2 1 +ATOM 2952 C CE1 . TYR A 1 378 ? -22.312 -20.053 -26.844 1.00 28.93 ? 399 TYR A CE1 1 +ATOM 2953 C CE2 . TYR A 1 378 ? -22.788 -18.104 -28.141 1.00 32.53 ? 399 TYR A CE2 1 +ATOM 2954 C CZ . TYR A 1 378 ? -22.879 -19.461 -27.938 1.00 28.98 ? 399 TYR A CZ 1 +ATOM 2955 O OH . TYR A 1 378 ? -23.565 -20.216 -28.833 1.00 36.47 ? 399 TYR A OH 1 +ATOM 2956 N N . ALA A 1 379 ? -18.995 -15.193 -26.791 1.00 31.98 ? 400 ALA A N 1 +ATOM 2957 C CA . ALA A 1 379 ? -18.761 -14.521 -28.056 1.00 33.21 ? 400 ALA A CA 1 +ATOM 2958 C C . ALA A 1 379 ? -17.318 -14.660 -28.557 1.00 31.68 ? 400 ALA A C 1 +ATOM 2959 O O . ALA A 1 379 ? -17.103 -14.887 -29.742 1.00 32.23 ? 400 ALA A O 1 +ATOM 2960 C CB . ALA A 1 379 ? -19.175 -13.029 -27.961 1.00 31.80 ? 400 ALA A CB 1 +ATOM 2961 N N . LEU A 1 380 ? -16.333 -14.536 -27.671 1.00 32.56 ? 401 LEU A N 1 +ATOM 2962 C CA . LEU A 1 380 ? -14.941 -14.677 -28.103 1.00 31.29 ? 401 LEU A CA 1 +ATOM 2963 C C . LEU A 1 380 ? -14.650 -16.121 -28.562 1.00 31.80 ? 401 LEU A C 1 +ATOM 2964 O O . LEU A 1 380 ? -13.818 -16.351 -29.450 1.00 27.48 ? 401 LEU A O 1 +ATOM 2965 C CB . LEU A 1 380 ? -13.988 -14.264 -26.970 1.00 31.12 ? 401 LEU A CB 1 +ATOM 2966 C CG . LEU A 1 380 ? -14.130 -12.781 -26.569 1.00 32.76 ? 401 LEU A CG 1 +ATOM 2967 C CD1 . LEU A 1 380 ? -13.162 -12.428 -25.484 1.00 29.48 ? 401 LEU A CD1 1 +ATOM 2968 C CD2 . LEU A 1 380 ? -13.897 -11.889 -27.774 1.00 34.08 ? 401 LEU A CD2 1 +ATOM 2969 N N . HIS A 1 381 ? -15.357 -17.085 -27.972 1.00 29.32 ? 402 HIS A N 1 +ATOM 2970 C CA . HIS A 1 381 ? -15.158 -18.486 -28.323 1.00 29.91 ? 402 HIS A CA 1 +ATOM 2971 C C . HIS A 1 381 ? -15.686 -18.839 -29.693 1.00 31.18 ? 402 HIS A C 1 +ATOM 2972 O O . HIS A 1 381 ? -15.239 -19.822 -30.290 1.00 29.58 ? 402 HIS A O 1 +ATOM 2973 C CB . HIS A 1 381 ? -15.815 -19.415 -27.298 1.00 24.28 ? 402 HIS A CB 1 +ATOM 2974 C CG . HIS A 1 381 ? -15.062 -19.507 -26.013 1.00 25.10 ? 402 HIS A CG 1 +ATOM 2975 N ND1 . HIS A 1 381 ? -15.209 -20.564 -25.139 1.00 25.00 ? 402 HIS A ND1 1 +ATOM 2976 C CD2 . HIS A 1 381 ? -14.145 -18.676 -25.457 1.00 23.55 ? 402 HIS A CD2 1 +ATOM 2977 C CE1 . HIS A 1 381 ? -14.404 -20.382 -24.101 1.00 24.31 ? 402 HIS A CE1 1 +ATOM 2978 N NE2 . HIS A 1 381 ? -13.748 -19.243 -24.272 1.00 24.30 ? 402 HIS A NE2 1 +ATOM 2979 N N . ARG A 1 382 ? -16.643 -18.058 -30.182 1.00 33.09 ? 403 ARG A N 1 +ATOM 2980 C CA . ARG A 1 382 ? -17.221 -18.311 -31.480 1.00 37.10 ? 403 ARG A CA 1 +ATOM 2981 C C . ARG A 1 382 ? -16.917 -17.225 -32.480 1.00 39.35 ? 403 ARG A C 1 +ATOM 2982 O O . ARG A 1 382 ? -17.593 -17.123 -33.507 1.00 38.81 ? 403 ARG A O 1 +ATOM 2983 C CB . ARG A 1 382 ? -18.722 -18.459 -31.346 1.00 37.90 ? 403 ARG A CB 1 +ATOM 2984 C CG . ARG A 1 382 ? -19.084 -19.753 -30.710 1.00 35.57 ? 403 ARG A CG 1 +ATOM 2985 C CD . ARG A 1 382 ? -20.487 -19.710 -30.165 1.00 36.18 ? 403 ARG A CD 1 +ATOM 2986 N NE . ARG A 1 382 ? -20.828 -21.004 -29.577 1.00 35.27 ? 403 ARG A NE 1 +ATOM 2987 C CZ . ARG A 1 382 ? -21.512 -21.950 -30.192 1.00 34.90 ? 403 ARG A CZ 1 +ATOM 2988 N NH1 . ARG A 1 382 ? -21.933 -21.765 -31.428 1.00 36.45 ? 403 ARG A NH1 1 +ATOM 2989 N NH2 . ARG A 1 382 ? -21.827 -23.062 -29.543 1.00 36.13 ? 403 ARG A NH2 1 +ATOM 2990 N N . ASP A 1 383 ? -15.916 -16.408 -32.166 1.00 40.47 ? 404 ASP A N 1 +ATOM 2991 C CA . ASP A 1 383 ? -15.538 -15.305 -33.028 1.00 44.85 ? 404 ASP A CA 1 +ATOM 2992 C C . ASP A 1 383 ? -14.793 -15.784 -34.282 1.00 47.46 ? 404 ASP A C 1 +ATOM 2993 O O . ASP A 1 383 ? -13.681 -16.298 -34.194 1.00 47.47 ? 404 ASP A O 1 +ATOM 2994 C CB . ASP A 1 383 ? -14.640 -14.333 -32.254 1.00 45.28 ? 404 ASP A CB 1 +ATOM 2995 C CG . ASP A 1 383 ? -14.251 -13.114 -33.083 1.00 46.34 ? 404 ASP A CG 1 +ATOM 2996 O OD1 . ASP A 1 383 ? -14.759 -12.976 -34.227 1.00 47.05 ? 404 ASP A OD1 1 +ATOM 2997 O OD2 . ASP A 1 383 ? -13.449 -12.298 -32.582 1.00 47.12 ? 404 ASP A OD2 1 +ATOM 2998 N N . PRO A 1 384 ? -15.401 -15.624 -35.461 1.00 50.70 ? 405 PRO A N 1 +ATOM 2999 C CA . PRO A 1 384 ? -14.726 -16.060 -36.693 1.00 53.65 ? 405 PRO A CA 1 +ATOM 3000 C C . PRO A 1 384 ? -13.264 -15.616 -36.752 1.00 54.50 ? 405 PRO A C 1 +ATOM 3001 O O . PRO A 1 384 ? -12.389 -16.397 -37.097 1.00 56.57 ? 405 PRO A O 1 +ATOM 3002 C CB . PRO A 1 384 ? -15.575 -15.424 -37.783 1.00 52.59 ? 405 PRO A CB 1 +ATOM 3003 C CG . PRO A 1 384 ? -16.972 -15.563 -37.188 1.00 53.86 ? 405 PRO A CG 1 +ATOM 3004 C CD . PRO A 1 384 ? -16.746 -15.095 -35.754 1.00 50.53 ? 405 PRO A CD 1 +ATOM 3005 N N . LYS A 1 385 ? -13.009 -14.364 -36.398 1.00 55.47 ? 406 LYS A N 1 +ATOM 3006 C CA . LYS A 1 385 ? -11.653 -13.816 -36.403 1.00 57.50 ? 406 LYS A CA 1 +ATOM 3007 C C . LYS A 1 385 ? -10.619 -14.703 -35.697 1.00 57.69 ? 406 LYS A C 1 +ATOM 3008 O O . LYS A 1 385 ? -9.412 -14.545 -35.910 1.00 58.34 ? 406 LYS A O 1 +ATOM 3009 C CB . LYS A 1 385 ? -11.635 -12.431 -35.736 1.00 60.07 ? 406 LYS A CB 1 +ATOM 3010 C CG . LYS A 1 385 ? -12.686 -11.431 -36.253 1.00 63.78 ? 406 LYS A CG 1 +ATOM 3011 C CD . LYS A 1 385 ? -12.497 -11.090 -37.735 1.00 66.31 ? 406 LYS A CD 1 +ATOM 3012 C CE . LYS A 1 385 ? -13.297 -9.849 -38.152 1.00 68.37 ? 406 LYS A CE 1 +ATOM 3013 N NZ . LYS A 1 385 ? -14.775 -10.045 -38.093 1.00 69.57 ? 406 LYS A NZ 1 +ATOM 3014 N N . TYR A 1 386 ? -11.068 -15.614 -34.836 1.00 56.10 ? 407 TYR A N 1 +ATOM 3015 C CA . TYR A 1 386 ? -10.119 -16.473 -34.134 1.00 55.48 ? 407 TYR A CA 1 +ATOM 3016 C C . TYR A 1 386 ? -10.376 -17.927 -34.411 1.00 53.80 ? 407 TYR A C 1 +ATOM 3017 O O . TYR A 1 386 ? -9.516 -18.767 -34.163 1.00 55.10 ? 407 TYR A O 1 +ATOM 3018 C CB . TYR A 1 386 ? -10.195 -16.303 -32.613 1.00 55.15 ? 407 TYR A CB 1 +ATOM 3019 C CG . TYR A 1 386 ? -9.678 -15.011 -32.047 1.00 55.99 ? 407 TYR A CG 1 +ATOM 3020 C CD1 . TYR A 1 386 ? -10.562 -14.004 -31.650 1.00 55.98 ? 407 TYR A CD1 1 +ATOM 3021 C CD2 . TYR A 1 386 ? -8.314 -14.811 -31.842 1.00 55.73 ? 407 TYR A CD2 1 +ATOM 3022 C CE1 . TYR A 1 386 ? -10.107 -12.829 -31.056 1.00 55.16 ? 407 TYR A CE1 1 +ATOM 3023 C CE2 . TYR A 1 386 ? -7.844 -13.634 -31.244 1.00 57.29 ? 407 TYR A CE2 1 +ATOM 3024 C CZ . TYR A 1 386 ? -8.750 -12.644 -30.852 1.00 56.41 ? 407 TYR A CZ 1 +ATOM 3025 O OH . TYR A 1 386 ? -8.307 -11.476 -30.252 1.00 55.51 ? 407 TYR A OH 1 +ATOM 3026 N N . TRP A 1 387 ? -11.564 -18.242 -34.896 1.00 52.58 ? 408 TRP A N 1 +ATOM 3027 C CA . TRP A 1 387 ? -11.885 -19.640 -35.126 1.00 50.84 ? 408 TRP A CA 1 +ATOM 3028 C C . TRP A 1 387 ? -12.470 -19.959 -36.483 1.00 50.72 ? 408 TRP A C 1 +ATOM 3029 O O . TRP A 1 387 ? -13.484 -19.390 -36.901 1.00 51.28 ? 408 TRP A O 1 +ATOM 3030 C CB . TRP A 1 387 ? -12.851 -20.150 -34.048 1.00 48.32 ? 408 TRP A CB 1 +ATOM 3031 C CG . TRP A 1 387 ? -12.554 -19.631 -32.683 1.00 44.85 ? 408 TRP A CG 1 +ATOM 3032 C CD1 . TRP A 1 387 ? -13.005 -18.458 -32.139 1.00 44.58 ? 408 TRP A CD1 1 +ATOM 3033 C CD2 . TRP A 1 387 ? -11.741 -20.255 -31.675 1.00 42.43 ? 408 TRP A CD2 1 +ATOM 3034 N NE1 . TRP A 1 387 ? -12.526 -18.316 -30.861 1.00 39.71 ? 408 TRP A NE1 1 +ATOM 3035 C CE2 . TRP A 1 387 ? -11.752 -19.403 -30.547 1.00 41.37 ? 408 TRP A CE2 1 +ATOM 3036 C CE3 . TRP A 1 387 ? -11.006 -21.447 -31.617 1.00 41.57 ? 408 TRP A CE3 1 +ATOM 3037 C CZ2 . TRP A 1 387 ? -11.061 -19.708 -29.368 1.00 39.28 ? 408 TRP A CZ2 1 +ATOM 3038 C CZ3 . TRP A 1 387 ? -10.311 -21.749 -30.444 1.00 40.93 ? 408 TRP A CZ3 1 +ATOM 3039 C CH2 . TRP A 1 387 ? -10.349 -20.880 -29.335 1.00 40.78 ? 408 TRP A CH2 1 +ATOM 3040 N N . THR A 1 388 ? -11.822 -20.903 -37.153 1.00 49.95 ? 409 THR A N 1 +ATOM 3041 C CA . THR A 1 388 ? -12.259 -21.361 -38.457 1.00 49.36 ? 409 THR A CA 1 +ATOM 3042 C C . THR A 1 388 ? -13.555 -22.082 -38.220 1.00 47.23 ? 409 THR A C 1 +ATOM 3043 O O . THR A 1 388 ? -13.611 -22.952 -37.364 1.00 45.64 ? 409 THR A O 1 +ATOM 3044 C CB . THR A 1 388 ? -11.295 -22.391 -39.028 1.00 50.52 ? 409 THR A CB 1 +ATOM 3045 O OG1 . THR A 1 388 ? -9.950 -21.941 -38.832 1.00 52.38 ? 409 THR A OG1 1 +ATOM 3046 C CG2 . THR A 1 388 ? -11.589 -22.610 -40.503 1.00 52.71 ? 409 THR A CG2 1 +ATOM 3047 N N . GLU A 1 389 ? -14.580 -21.748 -38.991 1.00 46.70 ? 410 GLU A N 1 +ATOM 3048 C CA . GLU A 1 389 ? -15.870 -22.389 -38.827 1.00 48.49 ? 410 GLU A CA 1 +ATOM 3049 C C . GLU A 1 389 ? -16.100 -22.511 -37.307 1.00 47.99 ? 410 GLU A C 1 +ATOM 3050 O O . GLU A 1 389 ? -16.006 -23.591 -36.721 1.00 47.51 ? 410 GLU A O 1 +ATOM 3051 C CB . GLU A 1 389 ? -15.836 -23.761 -39.488 1.00 50.35 ? 410 GLU A CB 1 +ATOM 3052 C CG . GLU A 1 389 ? -14.869 -23.845 -40.664 1.00 53.14 ? 410 GLU A CG 1 +ATOM 3053 C CD . GLU A 1 389 ? -15.111 -25.070 -41.526 1.00 53.85 ? 410 GLU A CD 1 +ATOM 3054 O OE1 . GLU A 1 389 ? -16.092 -25.059 -42.313 1.00 54.66 ? 410 GLU A OE1 1 +ATOM 3055 O OE2 . GLU A 1 389 ? -14.330 -26.041 -41.407 1.00 53.75 ? 410 GLU A OE2 1 +ATOM 3056 N N . PRO A 1 390 ? -16.376 -21.381 -36.653 1.00 46.87 ? 411 PRO A N 1 +ATOM 3057 C CA . PRO A 1 390 ? -16.610 -21.315 -35.207 1.00 46.10 ? 411 PRO A CA 1 +ATOM 3058 C C . PRO A 1 390 ? -17.744 -22.199 -34.733 1.00 43.77 ? 411 PRO A C 1 +ATOM 3059 O O . PRO A 1 390 ? -17.706 -22.722 -33.626 1.00 43.81 ? 411 PRO A O 1 +ATOM 3060 C CB . PRO A 1 390 ? -16.910 -19.830 -34.960 1.00 47.89 ? 411 PRO A CB 1 +ATOM 3061 C CG . PRO A 1 390 ? -16.305 -19.124 -36.158 1.00 47.90 ? 411 PRO A CG 1 +ATOM 3062 C CD . PRO A 1 390 ? -16.622 -20.076 -37.286 1.00 47.68 ? 411 PRO A CD 1 +ATOM 3063 N N . GLU A 1 391 ? -18.754 -22.361 -35.570 1.00 43.13 ? 412 GLU A N 1 +ATOM 3064 C CA . GLU A 1 391 ? -19.914 -23.166 -35.224 1.00 44.25 ? 412 GLU A CA 1 +ATOM 3065 C C . GLU A 1 391 ? -19.675 -24.688 -35.251 1.00 43.23 ? 412 GLU A C 1 +ATOM 3066 O O . GLU A 1 391 ? -20.524 -25.455 -34.804 1.00 44.63 ? 412 GLU A O 1 +ATOM 3067 C CB . GLU A 1 391 ? -21.070 -22.811 -36.163 1.00 47.25 ? 412 GLU A CB 1 +ATOM 3068 C CG . GLU A 1 391 ? -21.446 -21.327 -36.180 1.00 53.11 ? 412 GLU A CG 1 +ATOM 3069 C CD . GLU A 1 391 ? -22.346 -20.911 -35.010 1.00 56.83 ? 412 GLU A CD 1 +ATOM 3070 O OE1 . GLU A 1 391 ? -23.560 -21.245 -35.060 1.00 58.94 ? 412 GLU A OE1 1 +ATOM 3071 O OE2 . GLU A 1 391 ? -21.841 -20.257 -34.052 1.00 56.48 ? 412 GLU A OE2 1 +ATOM 3072 N N . LYS A 1 392 ? -18.518 -25.121 -35.744 1.00 41.95 ? 413 LYS A N 1 +ATOM 3073 C CA . LYS A 1 392 ? -18.216 -26.551 -35.863 1.00 41.18 ? 413 LYS A CA 1 +ATOM 3074 C C . LYS A 1 392 ? -17.438 -27.162 -34.703 1.00 37.90 ? 413 LYS A C 1 +ATOM 3075 O O . LYS A 1 392 ? -16.563 -26.523 -34.142 1.00 37.77 ? 413 LYS A O 1 +ATOM 3076 C CB . LYS A 1 392 ? -17.418 -26.807 -37.151 1.00 42.75 ? 413 LYS A CB 1 +ATOM 3077 C CG . LYS A 1 392 ? -18.024 -26.217 -38.402 1.00 47.06 ? 413 LYS A CG 1 +ATOM 3078 C CD . LYS A 1 392 ? -19.135 -27.094 -38.947 1.00 50.97 ? 413 LYS A CD 1 +ATOM 3079 C CE . LYS A 1 392 ? -19.393 -26.784 -40.429 1.00 52.57 ? 413 LYS A CE 1 +ATOM 3080 N NZ . LYS A 1 392 ? -18.187 -27.053 -41.292 1.00 51.61 ? 413 LYS A NZ 1 +ATOM 3081 N N . PHE A 1 393 ? -17.764 -28.418 -34.389 1.00 36.63 ? 414 PHE A N 1 +ATOM 3082 C CA . PHE A 1 393 ? -17.101 -29.182 -33.338 1.00 36.49 ? 414 PHE A CA 1 +ATOM 3083 C C . PHE A 1 393 ? -15.901 -29.898 -33.977 1.00 37.46 ? 414 PHE A C 1 +ATOM 3084 O O . PHE A 1 393 ? -16.048 -30.951 -34.581 1.00 38.28 ? 414 PHE A O 1 +ATOM 3085 C CB . PHE A 1 393 ? -18.076 -30.208 -32.741 1.00 33.55 ? 414 PHE A CB 1 +ATOM 3086 C CG . PHE A 1 393 ? -17.472 -31.073 -31.666 1.00 34.40 ? 414 PHE A CG 1 +ATOM 3087 C CD1 . PHE A 1 393 ? -17.098 -30.529 -30.432 1.00 34.15 ? 414 PHE A CD1 1 +ATOM 3088 C CD2 . PHE A 1 393 ? -17.279 -32.444 -31.884 1.00 36.34 ? 414 PHE A CD2 1 +ATOM 3089 C CE1 . PHE A 1 393 ? -16.542 -31.330 -29.424 1.00 32.62 ? 414 PHE A CE1 1 +ATOM 3090 C CE2 . PHE A 1 393 ? -16.722 -33.265 -30.890 1.00 34.36 ? 414 PHE A CE2 1 +ATOM 3091 C CZ . PHE A 1 393 ? -16.351 -32.701 -29.650 1.00 35.29 ? 414 PHE A CZ 1 +ATOM 3092 N N . LEU A 1 394 ? -14.721 -29.315 -33.832 1.00 39.03 ? 415 LEU A N 1 +ATOM 3093 C CA . LEU A 1 394 ? -13.503 -29.863 -34.412 1.00 38.44 ? 415 LEU A CA 1 +ATOM 3094 C C . LEU A 1 394 ? -12.420 -29.913 -33.343 1.00 38.33 ? 415 LEU A C 1 +ATOM 3095 O O . LEU A 1 394 ? -11.718 -28.930 -33.105 1.00 38.86 ? 415 LEU A O 1 +ATOM 3096 C CB . LEU A 1 394 ? -13.022 -28.977 -35.566 1.00 39.91 ? 415 LEU A CB 1 +ATOM 3097 C CG . LEU A 1 394 ? -13.982 -28.744 -36.738 1.00 42.82 ? 415 LEU A CG 1 +ATOM 3098 C CD1 . LEU A 1 394 ? -13.349 -27.771 -37.733 1.00 42.48 ? 415 LEU A CD1 1 +ATOM 3099 C CD2 . LEU A 1 394 ? -14.314 -30.073 -37.434 1.00 44.10 ? 415 LEU A CD2 1 +ATOM 3100 N N . PRO A 1 395 ? -12.262 -31.069 -32.694 1.00 36.73 ? 416 PRO A N 1 +ATOM 3101 C CA . PRO A 1 395 ? -11.273 -31.270 -31.639 1.00 37.65 ? 416 PRO A CA 1 +ATOM 3102 C C . PRO A 1 395 ? -9.841 -30.969 -32.012 1.00 38.24 ? 416 PRO A C 1 +ATOM 3103 O O . PRO A 1 395 ? -9.072 -30.509 -31.159 1.00 37.45 ? 416 PRO A O 1 +ATOM 3104 C CB . PRO A 1 395 ? -11.464 -32.730 -31.271 1.00 38.18 ? 416 PRO A CB 1 +ATOM 3105 C CG . PRO A 1 395 ? -12.918 -32.949 -31.539 1.00 36.90 ? 416 PRO A CG 1 +ATOM 3106 C CD . PRO A 1 395 ? -13.100 -32.266 -32.853 1.00 36.60 ? 416 PRO A CD 1 +ATOM 3107 N N . GLU A 1 396 ? -9.469 -31.240 -33.266 1.00 38.41 ? 417 GLU A N 1 +ATOM 3108 C CA . GLU A 1 396 ? -8.088 -30.998 -33.696 1.00 40.30 ? 417 GLU A CA 1 +ATOM 3109 C C . GLU A 1 396 ? -7.645 -29.600 -33.324 1.00 39.94 ? 417 GLU A C 1 +ATOM 3110 O O . GLU A 1 396 ? -6.445 -29.321 -33.175 1.00 39.03 ? 417 GLU A O 1 +ATOM 3111 C CB . GLU A 1 396 ? -7.929 -31.219 -35.209 1.00 43.30 ? 417 GLU A CB 1 +ATOM 3112 C CG . GLU A 1 396 ? -8.058 -32.660 -35.653 1.00 44.39 ? 417 GLU A CG 1 +ATOM 3113 C CD . GLU A 1 396 ? -7.282 -33.632 -34.779 1.00 47.31 ? 417 GLU A CD 1 +ATOM 3114 O OE1 . GLU A 1 396 ? -6.150 -33.302 -34.339 1.00 49.77 ? 417 GLU A OE1 1 +ATOM 3115 O OE2 . GLU A 1 396 ? -7.807 -34.748 -34.536 1.00 50.10 ? 417 GLU A OE2 1 +ATOM 3116 N N . ARG A 1 397 ? -8.630 -28.720 -33.169 1.00 39.24 ? 418 ARG A N 1 +ATOM 3117 C CA . ARG A 1 397 ? -8.398 -27.344 -32.763 1.00 37.27 ? 418 ARG A CA 1 +ATOM 3118 C C . ARG A 1 397 ? -7.436 -27.324 -31.575 1.00 36.68 ? 418 ARG A C 1 +ATOM 3119 O O . ARG A 1 397 ? -6.577 -26.445 -31.477 1.00 36.65 ? 418 ARG A O 1 +ATOM 3120 C CB . ARG A 1 397 ? -9.735 -26.721 -32.328 1.00 40.40 ? 418 ARG A CB 1 +ATOM 3121 C CG . ARG A 1 397 ? -10.094 -25.401 -32.978 1.00 40.27 ? 418 ARG A CG 1 +ATOM 3122 C CD . ARG A 1 397 ? -11.428 -24.901 -32.455 1.00 36.72 ? 418 ARG A CD 1 +ATOM 3123 N NE . ARG A 1 397 ? -12.613 -25.329 -33.209 1.00 34.11 ? 418 ARG A NE 1 +ATOM 3124 C CZ . ARG A 1 397 ? -12.934 -24.886 -34.414 1.00 34.67 ? 418 ARG A CZ 1 +ATOM 3125 N NH1 . ARG A 1 397 ? -12.140 -24.006 -35.023 1.00 36.23 ? 418 ARG A NH1 1 +ATOM 3126 N NH2 . ARG A 1 397 ? -14.061 -25.279 -34.992 1.00 32.61 ? 418 ARG A NH2 1 +ATOM 3127 N N . PHE A 1 398 ? -7.588 -28.285 -30.662 1.00 36.18 ? 419 PHE A N 1 +ATOM 3128 C CA . PHE A 1 398 ? -6.764 -28.338 -29.450 1.00 37.00 ? 419 PHE A CA 1 +ATOM 3129 C C . PHE A 1 398 ? -5.668 -29.388 -29.455 1.00 39.74 ? 419 PHE A C 1 +ATOM 3130 O O . PHE A 1 398 ? -5.053 -29.656 -28.410 1.00 37.97 ? 419 PHE A O 1 +ATOM 3131 C CB . PHE A 1 398 ? -7.654 -28.554 -28.205 1.00 35.68 ? 419 PHE A CB 1 +ATOM 3132 C CG . PHE A 1 398 ? -8.524 -27.368 -27.870 1.00 32.92 ? 419 PHE A CG 1 +ATOM 3133 C CD1 . PHE A 1 398 ? -8.099 -26.415 -26.960 1.00 30.07 ? 419 PHE A CD1 1 +ATOM 3134 C CD2 . PHE A 1 398 ? -9.731 -27.169 -28.539 1.00 32.81 ? 419 PHE A CD2 1 +ATOM 3135 C CE1 . PHE A 1 398 ? -8.859 -25.267 -26.729 1.00 30.66 ? 419 PHE A CE1 1 +ATOM 3136 C CE2 . PHE A 1 398 ? -10.495 -26.027 -28.311 1.00 30.00 ? 419 PHE A CE2 1 +ATOM 3137 C CZ . PHE A 1 398 ? -10.050 -25.079 -27.409 1.00 28.76 ? 419 PHE A CZ 1 +ATOM 3138 N N . SER A 1 399 ? -5.415 -29.983 -30.620 1.00 43.98 ? 420 SER A N 1 +ATOM 3139 C CA . SER A 1 399 ? -4.364 -31.002 -30.710 1.00 49.28 ? 420 SER A CA 1 +ATOM 3140 C C . SER A 1 399 ? -3.040 -30.449 -30.173 1.00 51.38 ? 420 SER A C 1 +ATOM 3141 O O . SER A 1 399 ? -2.853 -29.231 -30.035 1.00 52.32 ? 420 SER A O 1 +ATOM 3142 C CB . SER A 1 399 ? -4.177 -31.477 -32.154 1.00 47.26 ? 420 SER A CB 1 +ATOM 3143 O OG . SER A 1 399 ? -3.568 -30.484 -32.937 1.00 47.36 ? 420 SER A OG 1 +ATOM 3144 N N . LYS A 1 400 ? -2.137 -31.360 -29.854 1.00 54.97 ? 421 LYS A N 1 +ATOM 3145 C CA . LYS A 1 400 ? -0.835 -31.018 -29.300 1.00 58.91 ? 421 LYS A CA 1 +ATOM 3146 C C . LYS A 1 400 ? -0.086 -29.958 -30.115 1.00 60.55 ? 421 LYS A C 1 +ATOM 3147 O O . LYS A 1 400 ? 0.428 -28.979 -29.566 1.00 60.85 ? 421 LYS A O 1 +ATOM 3148 C CB . LYS A 1 400 ? 0.005 -32.292 -29.196 1.00 59.67 ? 421 LYS A CB 1 +ATOM 3149 C CG . LYS A 1 400 ? 1.096 -32.243 -28.156 1.00 62.06 ? 421 LYS A CG 1 +ATOM 3150 C CD . LYS A 1 400 ? 1.679 -33.639 -27.948 1.00 64.18 ? 421 LYS A CD 1 +ATOM 3151 C CE . LYS A 1 400 ? 2.824 -33.620 -26.938 1.00 65.60 ? 421 LYS A CE 1 +ATOM 3152 N NZ . LYS A 1 400 ? 3.405 -34.980 -26.745 1.00 67.04 ? 421 LYS A NZ 1 +ATOM 3153 N N . LYS A 1 401 ? -0.030 -30.157 -31.425 1.00 62.36 ? 422 LYS A N 1 +ATOM 3154 C CA . LYS A 1 401 ? 0.671 -29.227 -32.295 1.00 64.92 ? 422 LYS A CA 1 +ATOM 3155 C C . LYS A 1 401 ? -0.334 -28.294 -32.934 1.00 65.17 ? 422 LYS A C 1 +ATOM 3156 O O . LYS A 1 401 ? -0.429 -28.198 -34.160 1.00 65.76 ? 422 LYS A O 1 +ATOM 3157 C CB . LYS A 1 401 ? 1.450 -29.997 -33.375 1.00 68.11 ? 422 LYS A CB 1 +ATOM 3158 C CG . LYS A 1 401 ? 1.092 -31.496 -33.495 1.00 71.07 ? 422 LYS A CG 1 +ATOM 3159 C CD . LYS A 1 401 ? 2.238 -32.419 -33.037 1.00 72.22 ? 422 LYS A CD 1 +ATOM 3160 C CE . LYS A 1 401 ? 2.636 -32.156 -31.585 1.00 73.39 ? 422 LYS A CE 1 +ATOM 3161 N NZ . LYS A 1 401 ? 3.731 -33.050 -31.103 1.00 74.56 ? 422 LYS A NZ 1 +ATOM 3162 N N . ASN A 1 402 ? -1.083 -27.590 -32.098 1.00 63.99 ? 423 ASN A N 1 +ATOM 3163 C CA . ASN A 1 402 ? -2.102 -26.701 -32.620 1.00 62.93 ? 423 ASN A CA 1 +ATOM 3164 C C . ASN A 1 402 ? -2.649 -25.843 -31.491 1.00 62.05 ? 423 ASN A C 1 +ATOM 3165 O O . ASN A 1 402 ? -3.105 -24.726 -31.712 1.00 62.36 ? 423 ASN A O 1 +ATOM 3166 C CB . ASN A 1 402 ? -3.225 -27.544 -33.211 1.00 62.83 ? 423 ASN A CB 1 +ATOM 3167 C CG . ASN A 1 402 ? -3.964 -26.838 -34.313 1.00 62.79 ? 423 ASN A CG 1 +ATOM 3168 O OD1 . ASN A 1 402 ? -3.543 -26.861 -35.473 1.00 62.19 ? 423 ASN A OD1 1 +ATOM 3169 N ND2 . ASN A 1 402 ? -5.070 -26.195 -33.963 1.00 62.16 ? 423 ASN A ND2 1 +ATOM 3170 N N . LYS A 1 403 ? -2.586 -26.381 -30.277 1.00 61.71 ? 424 LYS A N 1 +ATOM 3171 C CA . LYS A 1 403 ? -3.082 -25.697 -29.093 1.00 60.59 ? 424 LYS A CA 1 +ATOM 3172 C C . LYS A 1 403 ? -2.209 -24.525 -28.641 1.00 60.72 ? 424 LYS A C 1 +ATOM 3173 O O . LYS A 1 403 ? -2.575 -23.791 -27.724 1.00 60.83 ? 424 LYS A O 1 +ATOM 3174 C CB . LYS A 1 403 ? -3.240 -26.700 -27.946 1.00 60.31 ? 424 LYS A CB 1 +ATOM 3175 C CG . LYS A 1 403 ? -1.944 -27.278 -27.382 1.00 59.28 ? 424 LYS A CG 1 +ATOM 3176 C CD . LYS A 1 403 ? -2.268 -28.225 -26.238 1.00 57.51 ? 424 LYS A CD 1 +ATOM 3177 C CE . LYS A 1 403 ? -1.059 -28.512 -25.360 1.00 57.72 ? 424 LYS A CE 1 +ATOM 3178 N NZ . LYS A 1 403 ? -1.433 -29.337 -24.168 1.00 55.97 ? 424 LYS A NZ 1 +ATOM 3179 N N . ASP A 1 404 ? -1.062 -24.346 -29.286 1.00 59.58 ? 425 ASP A N 1 +ATOM 3180 C CA . ASP A 1 404 ? -0.142 -23.262 -28.936 1.00 58.81 ? 425 ASP A CA 1 +ATOM 3181 C C . ASP A 1 404 ? -0.597 -21.930 -29.525 1.00 56.64 ? 425 ASP A C 1 +ATOM 3182 O O . ASP A 1 404 ? -0.262 -20.855 -29.008 1.00 56.10 ? 425 ASP A O 1 +ATOM 3183 C CB . ASP A 1 404 ? 1.273 -23.593 -29.430 1.00 62.17 ? 425 ASP A CB 1 +ATOM 3184 C CG . ASP A 1 404 ? 1.271 -24.329 -30.773 1.00 65.21 ? 425 ASP A CG 1 +ATOM 3185 O OD1 . ASP A 1 404 ? 1.005 -25.559 -30.781 1.00 65.84 ? 425 ASP A OD1 1 +ATOM 3186 O OD2 . ASP A 1 404 ? 1.530 -23.676 -31.815 1.00 68.00 ? 425 ASP A OD2 1 +ATOM 3187 N N . ASN A 1 405 ? -1.364 -22.009 -30.608 1.00 52.67 ? 426 ASN A N 1 +ATOM 3188 C CA . ASN A 1 405 ? -1.881 -20.827 -31.265 1.00 50.47 ? 426 ASN A CA 1 +ATOM 3189 C C . ASN A 1 405 ? -3.122 -20.239 -30.547 1.00 48.78 ? 426 ASN A C 1 +ATOM 3190 O O . ASN A 1 405 ? -3.638 -19.187 -30.944 1.00 48.18 ? 426 ASN A O 1 +ATOM 3191 C CB . ASN A 1 405 ? -2.245 -21.166 -32.711 1.00 52.77 ? 426 ASN A CB 1 +ATOM 3192 C CG . ASN A 1 405 ? -1.050 -21.671 -33.514 1.00 56.61 ? 426 ASN A CG 1 +ATOM 3193 O OD1 . ASN A 1 405 ? 0.040 -21.082 -33.470 1.00 59.59 ? 426 ASN A OD1 1 +ATOM 3194 N ND2 . ASN A 1 405 ? -1.250 -22.757 -34.261 1.00 56.92 ? 426 ASN A ND2 1 +ATOM 3195 N N . ILE A 1 406 ? -3.597 -20.915 -29.503 1.00 45.86 ? 427 ILE A N 1 +ATOM 3196 C CA . ILE A 1 406 ? -4.786 -20.458 -28.768 1.00 42.96 ? 427 ILE A CA 1 +ATOM 3197 C C . ILE A 1 406 ? -4.493 -19.446 -27.691 1.00 41.45 ? 427 ILE A C 1 +ATOM 3198 O O . ILE A 1 406 ? -3.812 -19.764 -26.724 1.00 40.54 ? 427 ILE A O 1 +ATOM 3199 C CB . ILE A 1 406 ? -5.516 -21.625 -28.094 1.00 41.52 ? 427 ILE A CB 1 +ATOM 3200 C CG1 . ILE A 1 406 ? -6.091 -22.560 -29.161 1.00 41.85 ? 427 ILE A CG1 1 +ATOM 3201 C CG2 . ILE A 1 406 ? -6.645 -21.072 -27.189 1.00 41.32 ? 427 ILE A CG2 1 +ATOM 3202 C CD1 . ILE A 1 406 ? -6.557 -23.897 -28.621 1.00 42.11 ? 427 ILE A CD1 1 +ATOM 3203 N N . ASP A 1 407 ? -5.012 -18.231 -27.834 1.00 41.25 ? 428 ASP A N 1 +ATOM 3204 C CA . ASP A 1 407 ? -4.777 -17.225 -26.794 1.00 42.38 ? 428 ASP A CA 1 +ATOM 3205 C C . ASP A 1 407 ? -5.656 -17.568 -25.571 1.00 41.59 ? 428 ASP A C 1 +ATOM 3206 O O . ASP A 1 407 ? -6.870 -17.733 -25.705 1.00 39.12 ? 428 ASP A O 1 +ATOM 3207 C CB . ASP A 1 407 ? -5.105 -15.823 -27.309 1.00 44.42 ? 428 ASP A CB 1 +ATOM 3208 C CG . ASP A 1 407 ? -4.463 -14.743 -26.466 1.00 46.07 ? 428 ASP A CG 1 +ATOM 3209 O OD1 . ASP A 1 407 ? -4.440 -14.908 -25.233 1.00 46.41 ? 428 ASP A OD1 1 +ATOM 3210 O OD2 . ASP A 1 407 ? -3.982 -13.734 -27.030 1.00 50.71 ? 428 ASP A OD2 1 +ATOM 3211 N N . PRO A 1 408 ? -5.041 -17.691 -24.372 1.00 41.80 ? 429 PRO A N 1 +ATOM 3212 C CA . PRO A 1 408 ? -5.722 -18.025 -23.116 1.00 41.51 ? 429 PRO A CA 1 +ATOM 3213 C C . PRO A 1 408 ? -6.632 -16.920 -22.603 1.00 41.33 ? 429 PRO A C 1 +ATOM 3214 O O . PRO A 1 408 ? -7.333 -17.116 -21.610 1.00 42.51 ? 429 PRO A O 1 +ATOM 3215 C CB . PRO A 1 408 ? -4.575 -18.285 -22.130 1.00 43.53 ? 429 PRO A CB 1 +ATOM 3216 C CG . PRO A 1 408 ? -3.289 -18.124 -22.959 1.00 42.47 ? 429 PRO A CG 1 +ATOM 3217 C CD . PRO A 1 408 ? -3.666 -17.244 -24.092 1.00 42.47 ? 429 PRO A CD 1 +ATOM 3218 N N . TYR A 1 409 ? -6.599 -15.761 -23.253 1.00 38.82 ? 430 TYR A N 1 +ATOM 3219 C CA . TYR A 1 409 ? -7.445 -14.663 -22.844 1.00 38.88 ? 430 TYR A CA 1 +ATOM 3220 C C . TYR A 1 409 ? -8.562 -14.558 -23.833 1.00 37.53 ? 430 TYR A C 1 +ATOM 3221 O O . TYR A 1 409 ? -9.388 -13.675 -23.746 1.00 38.30 ? 430 TYR A O 1 +ATOM 3222 C CB . TYR A 1 409 ? -6.656 -13.347 -22.708 1.00 41.46 ? 430 TYR A CB 1 +ATOM 3223 C CG . TYR A 1 409 ? -5.629 -13.472 -21.617 1.00 44.67 ? 430 TYR A CG 1 +ATOM 3224 C CD1 . TYR A 1 409 ? -4.294 -13.744 -21.925 1.00 47.31 ? 430 TYR A CD1 1 +ATOM 3225 C CD2 . TYR A 1 409 ? -6.013 -13.498 -20.279 1.00 44.52 ? 430 TYR A CD2 1 +ATOM 3226 C CE1 . TYR A 1 409 ? -3.371 -14.056 -20.934 1.00 47.99 ? 430 TYR A CE1 1 +ATOM 3227 C CE2 . TYR A 1 409 ? -5.102 -13.810 -19.273 1.00 48.29 ? 430 TYR A CE2 1 +ATOM 3228 C CZ . TYR A 1 409 ? -3.775 -14.093 -19.614 1.00 50.75 ? 430 TYR A CZ 1 +ATOM 3229 O OH . TYR A 1 409 ? -2.861 -14.442 -18.643 1.00 51.50 ? 430 TYR A OH 1 +ATOM 3230 N N . ILE A 1 410 ? -8.581 -15.478 -24.788 1.00 35.98 ? 431 ILE A N 1 +ATOM 3231 C CA . ILE A 1 410 ? -9.670 -15.529 -25.756 1.00 36.55 ? 431 ILE A CA 1 +ATOM 3232 C C . ILE A 1 410 ? -10.500 -16.765 -25.362 1.00 35.03 ? 431 ILE A C 1 +ATOM 3233 O O . ILE A 1 410 ? -11.721 -16.677 -25.252 1.00 34.93 ? 431 ILE A O 1 +ATOM 3234 C CB . ILE A 1 410 ? -9.174 -15.682 -27.196 1.00 36.88 ? 431 ILE A CB 1 +ATOM 3235 C CG1 . ILE A 1 410 ? -8.432 -14.420 -27.621 1.00 37.73 ? 431 ILE A CG1 1 +ATOM 3236 C CG2 . ILE A 1 410 ? -10.361 -15.918 -28.140 1.00 35.30 ? 431 ILE A CG2 1 +ATOM 3237 C CD1 . ILE A 1 410 ? -9.286 -13.156 -27.623 1.00 38.20 ? 431 ILE A CD1 1 +ATOM 3238 N N . TYR A 1 411 ? -9.814 -17.886 -25.126 1.00 33.45 ? 432 TYR A N 1 +ATOM 3239 C CA . TYR A 1 411 ? -10.412 -19.167 -24.716 1.00 34.35 ? 432 TYR A CA 1 +ATOM 3240 C C . TYR A 1 411 ? -10.316 -19.116 -23.191 1.00 35.35 ? 432 TYR A C 1 +ATOM 3241 O O . TYR A 1 411 ? -9.232 -19.265 -22.615 1.00 36.63 ? 432 TYR A O 1 +ATOM 3242 C CB . TYR A 1 411 ? -9.618 -20.374 -25.290 1.00 31.16 ? 432 TYR A CB 1 +ATOM 3243 C CG . TYR A 1 411 ? -10.167 -21.732 -24.854 1.00 30.42 ? 432 TYR A CG 1 +ATOM 3244 C CD1 . TYR A 1 411 ? -9.460 -22.541 -23.980 1.00 27.98 ? 432 TYR A CD1 1 +ATOM 3245 C CD2 . TYR A 1 411 ? -11.404 -22.195 -25.314 1.00 28.86 ? 432 TYR A CD2 1 +ATOM 3246 C CE1 . TYR A 1 411 ? -9.956 -23.772 -23.574 1.00 28.03 ? 432 TYR A CE1 1 +ATOM 3247 C CE2 . TYR A 1 411 ? -11.908 -23.423 -24.910 1.00 29.11 ? 432 TYR A CE2 1 +ATOM 3248 C CZ . TYR A 1 411 ? -11.177 -24.212 -24.040 1.00 29.99 ? 432 TYR A CZ 1 +ATOM 3249 O OH . TYR A 1 411 ? -11.641 -25.465 -23.647 1.00 31.68 ? 432 TYR A OH 1 +ATOM 3250 N N . THR A 1 412 ? -11.456 -18.887 -22.537 1.00 34.06 ? 433 THR A N 1 +ATOM 3251 C CA . THR A 1 412 ? -11.452 -18.711 -21.093 1.00 34.27 ? 433 THR A CA 1 +ATOM 3252 C C . THR A 1 412 ? -12.580 -19.418 -20.326 1.00 33.15 ? 433 THR A C 1 +ATOM 3253 O O . THR A 1 412 ? -13.115 -18.847 -19.367 1.00 35.55 ? 433 THR A O 1 +ATOM 3254 C CB . THR A 1 412 ? -11.529 -17.184 -20.779 1.00 35.82 ? 433 THR A CB 1 +ATOM 3255 O OG1 . THR A 1 412 ? -12.762 -16.643 -21.318 1.00 36.60 ? 433 THR A OG1 1 +ATOM 3256 C CG2 . THR A 1 412 ? -10.333 -16.437 -21.445 1.00 35.94 ? 433 THR A CG2 1 +ATOM 3257 N N . PRO A 1 413 ? -12.927 -20.664 -20.706 1.00 31.60 ? 434 PRO A N 1 +ATOM 3258 C CA . PRO A 1 413 ? -14.000 -21.436 -20.049 1.00 31.11 ? 434 PRO A CA 1 +ATOM 3259 C C . PRO A 1 413 ? -13.953 -21.492 -18.517 1.00 30.74 ? 434 PRO A C 1 +ATOM 3260 O O . PRO A 1 413 ? -14.963 -21.715 -17.867 1.00 31.37 ? 434 PRO A O 1 +ATOM 3261 C CB . PRO A 1 413 ? -13.872 -22.823 -20.687 1.00 32.01 ? 434 PRO A CB 1 +ATOM 3262 C CG . PRO A 1 413 ? -12.352 -22.905 -21.047 1.00 33.84 ? 434 PRO A CG 1 +ATOM 3263 C CD . PRO A 1 413 ? -12.191 -21.515 -21.667 1.00 31.96 ? 434 PRO A CD 1 +ATOM 3264 N N . PHE A 1 414 ? -12.780 -21.286 -17.946 1.00 29.63 ? 435 PHE A N 1 +ATOM 3265 C CA . PHE A 1 414 ? -12.622 -21.298 -16.511 1.00 29.60 ? 435 PHE A CA 1 +ATOM 3266 C C . PHE A 1 414 ? -12.105 -19.947 -16.025 1.00 29.31 ? 435 PHE A C 1 +ATOM 3267 O O . PHE A 1 414 ? -11.492 -19.853 -14.947 1.00 29.64 ? 435 PHE A O 1 +ATOM 3268 C CB . PHE A 1 414 ? -11.629 -22.396 -16.114 1.00 29.57 ? 435 PHE A CB 1 +ATOM 3269 C CG . PHE A 1 414 ? -12.164 -23.768 -16.247 1.00 31.32 ? 435 PHE A CG 1 +ATOM 3270 C CD1 . PHE A 1 414 ? -13.072 -24.262 -15.316 1.00 30.36 ? 435 PHE A CD1 1 +ATOM 3271 C CD2 . PHE A 1 414 ? -11.768 -24.585 -17.307 1.00 31.10 ? 435 PHE A CD2 1 +ATOM 3272 C CE1 . PHE A 1 414 ? -13.581 -25.556 -15.435 1.00 33.08 ? 435 PHE A CE1 1 +ATOM 3273 C CE2 . PHE A 1 414 ? -12.267 -25.876 -17.443 1.00 33.66 ? 435 PHE A CE2 1 +ATOM 3274 C CZ . PHE A 1 414 ? -13.180 -26.374 -16.501 1.00 34.75 ? 435 PHE A CZ 1 +ATOM 3275 N N . GLY A 1 415 ? -12.318 -18.923 -16.842 1.00 30.82 ? 436 GLY A N 1 +ATOM 3276 C CA . GLY A 1 415 ? -11.852 -17.594 -16.524 1.00 33.37 ? 436 GLY A CA 1 +ATOM 3277 C C . GLY A 1 415 ? -10.336 -17.625 -16.458 1.00 36.38 ? 436 GLY A C 1 +ATOM 3278 O O . GLY A 1 415 ? -9.693 -18.592 -16.889 1.00 36.57 ? 436 GLY A O 1 +ATOM 3279 N N . SER A 1 416 ? -9.758 -16.586 -15.893 1.00 37.35 ? 437 SER A N 1 +ATOM 3280 C CA . SER A 1 416 ? -8.309 -16.507 -15.786 1.00 38.25 ? 437 SER A CA 1 +ATOM 3281 C C . SER A 1 416 ? -7.901 -15.556 -14.669 1.00 39.04 ? 437 SER A C 1 +ATOM 3282 O O . SER A 1 416 ? -8.716 -14.790 -14.136 1.00 35.51 ? 437 SER A O 1 +ATOM 3283 C CB . SER A 1 416 ? -7.723 -16.010 -17.111 1.00 39.89 ? 437 SER A CB 1 +ATOM 3284 O OG . SER A 1 416 ? -6.356 -16.385 -17.226 1.00 42.79 ? 437 SER A OG 1 +ATOM 3285 N N . GLY A 1 417 ? -6.621 -15.608 -14.322 1.00 41.08 ? 438 GLY A N 1 +ATOM 3286 C CA . GLY A 1 417 ? -6.107 -14.742 -13.282 1.00 39.61 ? 438 GLY A CA 1 +ATOM 3287 C C . GLY A 1 417 ? -6.291 -15.335 -11.908 1.00 39.55 ? 438 GLY A C 1 +ATOM 3288 O O . GLY A 1 417 ? -6.712 -16.483 -11.778 1.00 37.27 ? 438 GLY A O 1 +ATOM 3289 N N . PRO A 1 418 ? -5.973 -14.565 -10.851 1.00 39.87 ? 439 PRO A N 1 +ATOM 3290 C CA . PRO A 1 418 ? -6.106 -15.023 -9.467 1.00 40.28 ? 439 PRO A CA 1 +ATOM 3291 C C . PRO A 1 418 ? -7.533 -15.450 -9.114 1.00 40.06 ? 439 PRO A C 1 +ATOM 3292 O O . PRO A 1 418 ? -7.743 -16.298 -8.256 1.00 40.42 ? 439 PRO A O 1 +ATOM 3293 C CB . PRO A 1 418 ? -5.666 -13.809 -8.664 1.00 40.94 ? 439 PRO A CB 1 +ATOM 3294 C CG . PRO A 1 418 ? -4.640 -13.174 -9.554 1.00 41.22 ? 439 PRO A CG 1 +ATOM 3295 C CD . PRO A 1 418 ? -5.305 -13.251 -10.911 1.00 39.01 ? 439 PRO A CD 1 +ATOM 3296 N N . ARG A 1 419 ? -8.516 -14.884 -9.797 1.00 40.48 ? 440 ARG A N 1 +ATOM 3297 C CA . ARG A 1 419 ? -9.889 -15.232 -9.463 1.00 41.41 ? 440 ARG A CA 1 +ATOM 3298 C C . ARG A 1 419 ? -10.561 -16.185 -10.445 1.00 39.51 ? 440 ARG A C 1 +ATOM 3299 O O . ARG A 1 419 ? -11.779 -16.134 -10.641 1.00 39.45 ? 440 ARG A O 1 +ATOM 3300 C CB . ARG A 1 419 ? -10.724 -13.958 -9.298 1.00 41.32 ? 440 ARG A CB 1 +ATOM 3301 C CG . ARG A 1 419 ? -11.929 -14.214 -8.416 1.00 43.27 ? 440 ARG A CG 1 +ATOM 3302 C CD . ARG A 1 419 ? -12.260 -13.080 -7.433 1.00 42.87 ? 440 ARG A CD 1 +ATOM 3303 N NE . ARG A 1 419 ? -13.319 -13.543 -6.543 1.00 40.94 ? 440 ARG A NE 1 +ATOM 3304 C CZ . ARG A 1 419 ? -14.076 -12.770 -5.777 1.00 39.93 ? 440 ARG A CZ 1 +ATOM 3305 N NH1 . ARG A 1 419 ? -13.914 -11.448 -5.764 1.00 36.81 ? 440 ARG A NH1 1 +ATOM 3306 N NH2 . ARG A 1 419 ? -15.013 -13.344 -5.034 1.00 39.27 ? 440 ARG A NH2 1 +ATOM 3307 N N . ASN A 1 420 ? -9.772 -17.071 -11.044 1.00 37.43 ? 441 ASN A N 1 +ATOM 3308 C CA . ASN A 1 420 ? -10.324 -18.026 -12.001 1.00 37.78 ? 441 ASN A CA 1 +ATOM 3309 C C . ASN A 1 420 ? -10.993 -19.161 -11.262 1.00 34.39 ? 441 ASN A C 1 +ATOM 3310 O O . ASN A 1 420 ? -10.994 -19.181 -10.042 1.00 35.31 ? 441 ASN A O 1 +ATOM 3311 C CB . ASN A 1 420 ? -9.230 -18.586 -12.920 1.00 38.11 ? 441 ASN A CB 1 +ATOM 3312 C CG . ASN A 1 420 ? -8.266 -19.547 -12.198 1.00 43.18 ? 441 ASN A CG 1 +ATOM 3313 O OD1 . ASN A 1 420 ? -7.591 -20.345 -12.859 1.00 45.07 ? 441 ASN A OD1 1 +ATOM 3314 N ND2 . ASN A 1 420 ? -8.181 -19.463 -10.857 1.00 38.85 ? 441 ASN A ND2 1 +ATOM 3315 N N . CYS A 1 421 ? -11.557 -20.109 -11.995 1.00 32.77 ? 442 CYS A N 1 +ATOM 3316 C CA . CYS A 1 421 ? -12.218 -21.241 -11.354 1.00 34.46 ? 442 CYS A CA 1 +ATOM 3317 C C . CYS A 1 421 ? -11.213 -21.994 -10.487 1.00 37.29 ? 442 CYS A C 1 +ATOM 3318 O O . CYS A 1 421 ? -10.211 -22.493 -10.993 1.00 37.09 ? 442 CYS A O 1 +ATOM 3319 C CB . CYS A 1 421 ? -12.773 -22.206 -12.382 1.00 30.15 ? 442 CYS A CB 1 +ATOM 3320 S SG . CYS A 1 421 ? -13.590 -23.609 -11.643 1.00 35.00 ? 442 CYS A SG 1 +ATOM 3321 N N . ILE A 1 422 ? -11.492 -22.070 -9.190 1.00 38.82 ? 443 ILE A N 1 +ATOM 3322 C CA . ILE A 1 422 ? -10.616 -22.751 -8.244 1.00 39.30 ? 443 ILE A CA 1 +ATOM 3323 C C . ILE A 1 422 ? -10.824 -24.266 -8.296 1.00 40.20 ? 443 ILE A C 1 +ATOM 3324 O O . ILE A 1 422 ? -10.014 -25.023 -7.782 1.00 41.31 ? 443 ILE A O 1 +ATOM 3325 C CB . ILE A 1 422 ? -10.885 -22.295 -6.806 1.00 38.85 ? 443 ILE A CB 1 +ATOM 3326 C CG1 . ILE A 1 422 ? -9.691 -22.667 -5.917 1.00 40.42 ? 443 ILE A CG1 1 +ATOM 3327 C CG2 . ILE A 1 422 ? -12.153 -22.955 -6.291 1.00 36.30 ? 443 ILE A CG2 1 +ATOM 3328 C CD1 . ILE A 1 422 ? -9.899 -22.402 -4.421 1.00 41.19 ? 443 ILE A CD1 1 +ATOM 3329 N N . GLY A 1 423 ? -11.931 -24.710 -8.877 1.00 39.75 ? 444 GLY A N 1 +ATOM 3330 C CA . GLY A 1 423 ? -12.148 -26.139 -8.967 1.00 38.99 ? 444 GLY A CA 1 +ATOM 3331 C C . GLY A 1 423 ? -11.928 -26.673 -10.373 1.00 38.90 ? 444 GLY A C 1 +ATOM 3332 O O . GLY A 1 423 ? -12.343 -27.792 -10.663 1.00 38.18 ? 444 GLY A O 1 +ATOM 3333 N N . MET A 1 424 ? -11.282 -25.887 -11.239 1.00 37.06 ? 445 MET A N 1 +ATOM 3334 C CA . MET A 1 424 ? -11.058 -26.296 -12.627 1.00 39.26 ? 445 MET A CA 1 +ATOM 3335 C C . MET A 1 424 ? -10.434 -27.698 -12.796 1.00 40.07 ? 445 MET A C 1 +ATOM 3336 O O . MET A 1 424 ? -10.998 -28.557 -13.496 1.00 36.56 ? 445 MET A O 1 +ATOM 3337 C CB . MET A 1 424 ? -10.200 -25.248 -13.366 1.00 38.40 ? 445 MET A CB 1 +ATOM 3338 C CG . MET A 1 424 ? -9.641 -25.705 -14.720 1.00 40.03 ? 445 MET A CG 1 +ATOM 3339 S SD . MET A 1 424 ? -8.713 -24.441 -15.669 1.00 45.14 ? 445 MET A SD 1 +ATOM 3340 C CE . MET A 1 424 ? -7.490 -23.888 -14.433 1.00 45.21 ? 445 MET A CE 1 +ATOM 3341 N N . ARG A 1 425 ? -9.287 -27.942 -12.159 1.00 41.91 ? 446 ARG A N 1 +ATOM 3342 C CA . ARG A 1 425 ? -8.651 -29.250 -12.317 1.00 44.71 ? 446 ARG A CA 1 +ATOM 3343 C C . ARG A 1 425 ? -9.556 -30.346 -11.738 1.00 43.05 ? 446 ARG A C 1 +ATOM 3344 O O . ARG A 1 425 ? -9.691 -31.430 -12.327 1.00 41.03 ? 446 ARG A O 1 +ATOM 3345 C CB . ARG A 1 425 ? -7.230 -29.259 -11.705 1.00 47.29 ? 446 ARG A CB 1 +ATOM 3346 C CG . ARG A 1 425 ? -7.134 -29.475 -10.204 1.00 53.27 ? 446 ARG A CG 1 +ATOM 3347 C CD . ARG A 1 425 ? -5.688 -29.293 -9.686 1.00 57.63 ? 446 ARG A CD 1 +ATOM 3348 N NE . ARG A 1 425 ? -4.698 -30.172 -10.329 1.00 61.69 ? 446 ARG A NE 1 +ATOM 3349 C CZ . ARG A 1 425 ? -3.990 -29.870 -11.425 1.00 63.08 ? 446 ARG A CZ 1 +ATOM 3350 N NH1 . ARG A 1 425 ? -4.143 -28.695 -12.040 1.00 63.67 ? 446 ARG A NH1 1 +ATOM 3351 N NH2 . ARG A 1 425 ? -3.107 -30.746 -11.901 1.00 63.24 ? 446 ARG A NH2 1 +ATOM 3352 N N . PHE A 1 426 ? -10.227 -30.053 -10.622 1.00 42.10 ? 447 PHE A N 1 +ATOM 3353 C CA . PHE A 1 426 ? -11.139 -31.041 -10.046 1.00 38.71 ? 447 PHE A CA 1 +ATOM 3354 C C . PHE A 1 426 ? -12.258 -31.313 -11.040 1.00 36.62 ? 447 PHE A C 1 +ATOM 3355 O O . PHE A 1 426 ? -12.645 -32.463 -11.284 1.00 36.42 ? 447 PHE A O 1 +ATOM 3356 C CB . PHE A 1 426 ? -11.742 -30.541 -8.725 1.00 39.65 ? 447 PHE A CB 1 +ATOM 3357 C CG . PHE A 1 426 ? -12.767 -31.484 -8.133 1.00 40.27 ? 447 PHE A CG 1 +ATOM 3358 C CD1 . PHE A 1 426 ? -14.041 -31.592 -8.692 1.00 37.34 ? 447 PHE A CD1 1 +ATOM 3359 C CD2 . PHE A 1 426 ? -12.440 -32.295 -7.031 1.00 41.18 ? 447 PHE A CD2 1 +ATOM 3360 C CE1 . PHE A 1 426 ? -14.970 -32.480 -8.181 1.00 39.31 ? 447 PHE A CE1 1 +ATOM 3361 C CE2 . PHE A 1 426 ? -13.369 -33.200 -6.506 1.00 41.70 ? 447 PHE A CE2 1 +ATOM 3362 C CZ . PHE A 1 426 ? -14.637 -33.297 -7.078 1.00 40.37 ? 447 PHE A CZ 1 +ATOM 3363 N N . ALA A 1 427 ? -12.801 -30.248 -11.614 1.00 35.01 ? 448 ALA A N 1 +ATOM 3364 C CA . ALA A 1 427 ? -13.882 -30.415 -12.570 1.00 33.86 ? 448 ALA A CA 1 +ATOM 3365 C C . ALA A 1 427 ? -13.442 -31.229 -13.814 1.00 32.09 ? 448 ALA A C 1 +ATOM 3366 O O . ALA A 1 427 ? -14.165 -32.101 -14.300 1.00 31.34 ? 448 ALA A O 1 +ATOM 3367 C CB . ALA A 1 427 ? -14.412 -29.048 -12.975 1.00 32.22 ? 448 ALA A CB 1 +ATOM 3368 N N . LEU A 1 428 ? -12.263 -30.914 -14.338 1.00 34.26 ? 449 LEU A N 1 +ATOM 3369 C CA . LEU A 1 428 ? -11.749 -31.615 -15.504 1.00 35.92 ? 449 LEU A CA 1 +ATOM 3370 C C . LEU A 1 428 ? -11.561 -33.071 -15.167 1.00 35.99 ? 449 LEU A C 1 +ATOM 3371 O O . LEU A 1 428 ? -11.980 -33.943 -15.918 1.00 35.71 ? 449 LEU A O 1 +ATOM 3372 C CB . LEU A 1 428 ? -10.428 -31.008 -15.939 1.00 34.72 ? 449 LEU A CB 1 +ATOM 3373 C CG . LEU A 1 428 ? -10.654 -29.624 -16.544 1.00 36.23 ? 449 LEU A CG 1 +ATOM 3374 C CD1 . LEU A 1 428 ? -9.313 -28.972 -16.790 1.00 36.27 ? 449 LEU A CD1 1 +ATOM 3375 C CD2 . LEU A 1 428 ? -11.500 -29.735 -17.847 1.00 33.90 ? 449 LEU A CD2 1 +ATOM 3376 N N . MET A 1 429 ? -10.962 -33.323 -14.005 1.00 39.13 ? 450 MET A N 1 +ATOM 3377 C CA . MET A 1 429 ? -10.702 -34.692 -13.565 1.00 40.65 ? 450 MET A CA 1 +ATOM 3378 C C . MET A 1 429 ? -12.004 -35.457 -13.409 1.00 39.74 ? 450 MET A C 1 +ATOM 3379 O O . MET A 1 429 ? -12.153 -36.564 -13.907 1.00 40.80 ? 450 MET A O 1 +ATOM 3380 C CB . MET A 1 429 ? -9.913 -34.667 -12.255 1.00 41.56 ? 450 MET A CB 1 +ATOM 3381 C CG . MET A 1 429 ? -9.492 -36.028 -11.735 1.00 45.06 ? 450 MET A CG 1 +ATOM 3382 S SD . MET A 1 429 ? -8.646 -37.040 -12.992 1.00 47.27 ? 450 MET A SD 1 +ATOM 3383 C CE . MET A 1 429 ? -7.014 -36.374 -12.871 1.00 46.30 ? 450 MET A CE 1 +ATOM 3384 N N . ASN A 1 430 ? -12.961 -34.836 -12.736 1.00 39.70 ? 451 ASN A N 1 +ATOM 3385 C CA . ASN A 1 430 ? -14.271 -35.420 -12.494 1.00 38.63 ? 451 ASN A CA 1 +ATOM 3386 C C . ASN A 1 430 ? -14.934 -35.829 -13.806 1.00 38.08 ? 451 ASN A C 1 +ATOM 3387 O O . ASN A 1 430 ? -15.376 -36.963 -13.984 1.00 37.01 ? 451 ASN A O 1 +ATOM 3388 C CB . ASN A 1 430 ? -15.159 -34.378 -11.804 1.00 41.63 ? 451 ASN A CB 1 +ATOM 3389 C CG . ASN A 1 430 ? -16.492 -34.939 -11.380 1.00 42.62 ? 451 ASN A CG 1 +ATOM 3390 O OD1 . ASN A 1 430 ? -17.418 -34.198 -11.048 1.00 46.54 ? 451 ASN A OD1 1 +ATOM 3391 N ND2 . ASN A 1 430 ? -16.597 -36.253 -11.371 1.00 44.37 ? 451 ASN A ND2 1 +ATOM 3392 N N . MET A 1 431 ? -15.000 -34.880 -14.725 1.00 38.00 ? 452 MET A N 1 +ATOM 3393 C CA . MET A 1 431 ? -15.639 -35.126 -16.001 1.00 37.18 ? 452 MET A CA 1 +ATOM 3394 C C . MET A 1 431 ? -14.942 -36.192 -16.838 1.00 36.94 ? 452 MET A C 1 +ATOM 3395 O O . MET A 1 431 ? -15.604 -37.013 -17.460 1.00 35.30 ? 452 MET A O 1 +ATOM 3396 C CB . MET A 1 431 ? -15.747 -33.823 -16.803 1.00 36.62 ? 452 MET A CB 1 +ATOM 3397 C CG . MET A 1 431 ? -16.573 -32.745 -16.102 1.00 36.71 ? 452 MET A CG 1 +ATOM 3398 S SD . MET A 1 431 ? -17.011 -31.367 -17.214 1.00 39.68 ? 452 MET A SD 1 +ATOM 3399 C CE . MET A 1 431 ? -15.435 -30.473 -17.222 1.00 37.27 ? 452 MET A CE 1 +ATOM 3400 N N . LYS A 1 432 ? -13.617 -36.184 -16.859 1.00 37.37 ? 453 LYS A N 1 +ATOM 3401 C CA . LYS A 1 432 ? -12.914 -37.175 -17.672 1.00 39.21 ? 453 LYS A CA 1 +ATOM 3402 C C . LYS A 1 432 ? -13.150 -38.578 -17.114 1.00 40.02 ? 453 LYS A C 1 +ATOM 3403 O O . LYS A 1 432 ? -13.591 -39.483 -17.836 1.00 41.73 ? 453 LYS A O 1 +ATOM 3404 C CB . LYS A 1 432 ? -11.425 -36.845 -17.724 1.00 37.01 ? 453 LYS A CB 1 +ATOM 3405 C CG . LYS A 1 432 ? -11.122 -35.632 -18.542 1.00 32.76 ? 453 LYS A CG 1 +ATOM 3406 C CD . LYS A 1 432 ? -9.728 -35.154 -18.308 1.00 31.18 ? 453 LYS A CD 1 +ATOM 3407 C CE . LYS A 1 432 ? -9.311 -34.213 -19.442 1.00 32.13 ? 453 LYS A CE 1 +ATOM 3408 N NZ . LYS A 1 432 ? -7.965 -33.634 -19.224 1.00 33.24 ? 453 LYS A NZ 1 +ATOM 3409 N N . LEU A 1 433 ? -12.866 -38.744 -15.823 1.00 40.54 ? 454 LEU A N 1 +ATOM 3410 C CA . LEU A 1 433 ? -13.075 -40.024 -15.150 1.00 40.57 ? 454 LEU A CA 1 +ATOM 3411 C C . LEU A 1 433 ? -14.429 -40.591 -15.509 1.00 39.46 ? 454 LEU A C 1 +ATOM 3412 O O . LEU A 1 433 ? -14.565 -41.776 -15.787 1.00 40.12 ? 454 LEU A O 1 +ATOM 3413 C CB . LEU A 1 433 ? -12.965 -39.855 -13.635 1.00 40.45 ? 454 LEU A CB 1 +ATOM 3414 C CG . LEU A 1 433 ? -11.506 -39.840 -13.198 1.00 40.02 ? 454 LEU A CG 1 +ATOM 3415 C CD1 . LEU A 1 433 ? -11.340 -39.342 -11.784 1.00 41.37 ? 454 LEU A CD1 1 +ATOM 3416 C CD2 . LEU A 1 433 ? -10.983 -41.260 -13.349 1.00 40.83 ? 454 LEU A CD2 1 +ATOM 3417 N N . ALA A 1 434 ? -15.424 -39.723 -15.540 1.00 39.17 ? 455 ALA A N 1 +ATOM 3418 C CA . ALA A 1 434 ? -16.773 -40.129 -15.871 1.00 38.00 ? 455 ALA A CA 1 +ATOM 3419 C C . ALA A 1 434 ? -16.874 -40.503 -17.333 1.00 38.18 ? 455 ALA A C 1 +ATOM 3420 O O . ALA A 1 434 ? -17.422 -41.537 -17.684 1.00 38.00 ? 455 ALA A O 1 +ATOM 3421 C CB . ALA A 1 434 ? -17.740 -39.000 -15.569 1.00 40.02 ? 455 ALA A CB 1 +ATOM 3422 N N . LEU A 1 435 ? -16.352 -39.638 -18.192 1.00 37.65 ? 456 LEU A N 1 +ATOM 3423 C CA . LEU A 1 435 ? -16.413 -39.871 -19.621 1.00 37.31 ? 456 LEU A CA 1 +ATOM 3424 C C . LEU A 1 435 ? -15.725 -41.189 -19.984 1.00 36.97 ? 456 LEU A C 1 +ATOM 3425 O O . LEU A 1 435 ? -16.240 -41.964 -20.802 1.00 35.12 ? 456 LEU A O 1 +ATOM 3426 C CB . LEU A 1 435 ? -15.768 -38.704 -20.360 1.00 34.79 ? 456 LEU A CB 1 +ATOM 3427 C CG . LEU A 1 435 ? -16.648 -37.455 -20.437 1.00 38.47 ? 456 LEU A CG 1 +ATOM 3428 C CD1 . LEU A 1 435 ? -15.826 -36.265 -20.984 1.00 36.72 ? 456 LEU A CD1 1 +ATOM 3429 C CD2 . LEU A 1 435 ? -17.862 -37.762 -21.323 1.00 33.11 ? 456 LEU A CD2 1 +ATOM 3430 N N . ILE A 1 436 ? -14.586 -41.435 -19.348 1.00 35.89 ? 457 ILE A N 1 +ATOM 3431 C CA . ILE A 1 436 ? -13.827 -42.649 -19.596 1.00 37.96 ? 457 ILE A CA 1 +ATOM 3432 C C . ILE A 1 436 ? -14.631 -43.875 -19.228 1.00 40.51 ? 457 ILE A C 1 +ATOM 3433 O O . ILE A 1 436 ? -14.800 -44.805 -20.036 1.00 40.05 ? 457 ILE A O 1 +ATOM 3434 C CB . ILE A 1 436 ? -12.525 -42.650 -18.785 1.00 37.22 ? 457 ILE A CB 1 +ATOM 3435 C CG1 . ILE A 1 436 ? -11.545 -41.675 -19.436 1.00 33.99 ? 457 ILE A CG1 1 +ATOM 3436 C CG2 . ILE A 1 436 ? -11.945 -44.079 -18.692 1.00 36.45 ? 457 ILE A CG2 1 +ATOM 3437 C CD1 . ILE A 1 436 ? -10.371 -41.316 -18.568 1.00 33.26 ? 457 ILE A CD1 1 +ATOM 3438 N N . ARG A 1 437 ? -15.133 -43.872 -18.002 1.00 42.31 ? 458 ARG A N 1 +ATOM 3439 C CA . ARG A 1 437 ? -15.905 -44.991 -17.528 1.00 43.48 ? 458 ARG A CA 1 +ATOM 3440 C C . ARG A 1 437 ? -17.071 -45.269 -18.443 1.00 42.17 ? 458 ARG A C 1 +ATOM 3441 O O . ARG A 1 437 ? -17.293 -46.404 -18.851 1.00 42.38 ? 458 ARG A O 1 +ATOM 3442 C CB . ARG A 1 437 ? -16.384 -44.743 -16.090 1.00 46.00 ? 458 ARG A CB 1 +ATOM 3443 C CG . ARG A 1 437 ? -15.606 -45.555 -15.064 1.00 48.54 ? 458 ARG A CG 1 +ATOM 3444 C CD . ARG A 1 437 ? -15.705 -47.032 -15.403 1.00 50.92 ? 458 ARG A CD 1 +ATOM 3445 N NE . ARG A 1 437 ? -14.749 -47.859 -14.669 1.00 54.95 ? 458 ARG A NE 1 +ATOM 3446 C CZ . ARG A 1 437 ? -14.494 -49.132 -14.965 1.00 55.81 ? 458 ARG A CZ 1 +ATOM 3447 N NH1 . ARG A 1 437 ? -13.610 -49.821 -14.254 1.00 56.11 ? 458 ARG A NH1 1 +ATOM 3448 N NH2 . ARG A 1 437 ? -15.130 -49.718 -15.976 1.00 57.00 ? 458 ARG A NH2 1 +ATOM 3449 N N . VAL A 1 438 ? -17.812 -44.235 -18.794 1.00 41.12 ? 459 VAL A N 1 +ATOM 3450 C CA . VAL A 1 438 ? -18.967 -44.430 -19.662 1.00 41.93 ? 459 VAL A CA 1 +ATOM 3451 C C . VAL A 1 438 ? -18.635 -44.922 -21.078 1.00 43.80 ? 459 VAL A C 1 +ATOM 3452 O O . VAL A 1 438 ? -19.230 -45.899 -21.549 1.00 46.76 ? 459 VAL A O 1 +ATOM 3453 C CB . VAL A 1 438 ? -19.787 -43.147 -19.768 1.00 41.81 ? 459 VAL A CB 1 +ATOM 3454 C CG1 . VAL A 1 438 ? -21.028 -43.395 -20.593 1.00 43.29 ? 459 VAL A CG1 1 +ATOM 3455 C CG2 . VAL A 1 438 ? -20.165 -42.658 -18.376 1.00 39.92 ? 459 VAL A CG2 1 +ATOM 3456 N N . LEU A 1 439 ? -17.693 -44.273 -21.759 1.00 43.32 ? 460 LEU A N 1 +ATOM 3457 C CA . LEU A 1 439 ? -17.341 -44.683 -23.129 1.00 42.54 ? 460 LEU A CA 1 +ATOM 3458 C C . LEU A 1 439 ? -16.646 -46.051 -23.127 1.00 44.40 ? 460 LEU A C 1 +ATOM 3459 O O . LEU A 1 439 ? -16.642 -46.774 -24.117 1.00 42.95 ? 460 LEU A O 1 +ATOM 3460 C CB . LEU A 1 439 ? -16.439 -43.630 -23.788 1.00 39.00 ? 460 LEU A CB 1 +ATOM 3461 C CG . LEU A 1 439 ? -17.085 -42.284 -24.126 1.00 35.73 ? 460 LEU A CG 1 +ATOM 3462 C CD1 . LEU A 1 439 ? -16.054 -41.288 -24.576 1.00 37.66 ? 460 LEU A CD1 1 +ATOM 3463 C CD2 . LEU A 1 439 ? -18.119 -42.496 -25.222 1.00 38.97 ? 460 LEU A CD2 1 +ATOM 3464 N N . GLN A 1 440 ? -16.066 -46.387 -21.988 1.00 46.64 ? 461 GLN A N 1 +ATOM 3465 C CA . GLN A 1 440 ? -15.373 -47.650 -21.791 1.00 47.61 ? 461 GLN A CA 1 +ATOM 3466 C C . GLN A 1 440 ? -16.428 -48.747 -21.601 1.00 48.34 ? 461 GLN A C 1 +ATOM 3467 O O . GLN A 1 440 ? -16.103 -49.862 -21.195 1.00 51.07 ? 461 GLN A O 1 +ATOM 3468 C CB . GLN A 1 440 ? -14.527 -47.514 -20.537 1.00 48.00 ? 461 GLN A CB 1 +ATOM 3469 C CG . GLN A 1 440 ? -13.379 -48.430 -20.354 1.00 48.48 ? 461 GLN A CG 1 +ATOM 3470 C CD . GLN A 1 440 ? -12.690 -48.136 -19.034 1.00 49.90 ? 461 GLN A CD 1 +ATOM 3471 O OE1 . GLN A 1 440 ? -13.338 -48.099 -17.982 1.00 52.87 ? 461 GLN A OE1 1 +ATOM 3472 N NE2 . GLN A 1 440 ? -11.387 -47.917 -19.076 1.00 48.83 ? 461 GLN A NE2 1 +ATOM 3473 N N . ASN A 1 441 ? -17.687 -48.438 -21.915 1.00 47.27 ? 462 ASN A N 1 +ATOM 3474 C CA . ASN A 1 441 ? -18.769 -49.403 -21.737 1.00 45.28 ? 462 ASN A CA 1 +ATOM 3475 C C . ASN A 1 441 ? -19.943 -49.271 -22.699 1.00 43.33 ? 462 ASN A C 1 +ATOM 3476 O O . ASN A 1 441 ? -20.656 -50.244 -22.942 1.00 43.23 ? 462 ASN A O 1 +ATOM 3477 C CB . ASN A 1 441 ? -19.326 -49.304 -20.304 1.00 45.88 ? 462 ASN A CB 1 +ATOM 3478 C CG . ASN A 1 441 ? -18.783 -50.370 -19.395 1.00 47.31 ? 462 ASN A CG 1 +ATOM 3479 O OD1 . ASN A 1 441 ? -19.139 -51.542 -19.521 1.00 50.18 ? 462 ASN A OD1 1 +ATOM 3480 N ND2 . ASN A 1 441 ? -17.906 -49.978 -18.469 1.00 49.91 ? 462 ASN A ND2 1 +ATOM 3481 N N . PHE A 1 442 ? -20.151 -48.074 -23.234 1.00 42.30 ? 463 PHE A N 1 +ATOM 3482 C CA . PHE A 1 442 ? -21.290 -47.820 -24.112 1.00 41.58 ? 463 PHE A CA 1 +ATOM 3483 C C . PHE A 1 442 ? -20.974 -46.908 -25.274 1.00 41.78 ? 463 PHE A C 1 +ATOM 3484 O O . PHE A 1 442 ? -19.940 -46.256 -25.312 1.00 39.57 ? 463 PHE A O 1 +ATOM 3485 C CB . PHE A 1 442 ? -22.418 -47.109 -23.351 1.00 44.83 ? 463 PHE A CB 1 +ATOM 3486 C CG . PHE A 1 442 ? -22.750 -47.697 -22.003 1.00 44.28 ? 463 PHE A CG 1 +ATOM 3487 C CD1 . PHE A 1 442 ? -23.805 -48.583 -21.864 1.00 47.25 ? 463 PHE A CD1 1 +ATOM 3488 C CD2 . PHE A 1 442 ? -22.054 -47.290 -20.864 1.00 47.67 ? 463 PHE A CD2 1 +ATOM 3489 C CE1 . PHE A 1 442 ? -24.182 -49.058 -20.595 1.00 49.11 ? 463 PHE A CE1 1 +ATOM 3490 C CE2 . PHE A 1 442 ? -22.409 -47.749 -19.586 1.00 48.27 ? 463 PHE A CE2 1 +ATOM 3491 C CZ . PHE A 1 442 ? -23.480 -48.638 -19.450 1.00 50.20 ? 463 PHE A CZ 1 +ATOM 3492 N N . SER A 1 443 ? -21.920 -46.850 -26.198 1.00 41.08 ? 464 SER A N 1 +ATOM 3493 C CA . SER A 1 443 ? -21.834 -45.980 -27.335 1.00 44.72 ? 464 SER A CA 1 +ATOM 3494 C C . SER A 1 443 ? -23.140 -45.215 -27.375 1.00 45.37 ? 464 SER A C 1 +ATOM 3495 O O . SER A 1 443 ? -24.225 -45.790 -27.266 1.00 47.04 ? 464 SER A O 1 +ATOM 3496 C CB . SER A 1 443 ? -21.613 -46.765 -28.630 1.00 45.21 ? 464 SER A CB 1 +ATOM 3497 O OG . SER A 1 443 ? -20.233 -47.060 -28.774 1.00 46.34 ? 464 SER A OG 1 +ATOM 3498 N N . PHE A 1 444 ? -23.032 -43.903 -27.489 1.00 45.50 ? 465 PHE A N 1 +ATOM 3499 C CA . PHE A 1 444 ? -24.210 -43.075 -27.518 1.00 47.27 ? 465 PHE A CA 1 +ATOM 3500 C C . PHE A 1 444 ? -24.477 -42.656 -28.936 1.00 49.13 ? 465 PHE A C 1 +ATOM 3501 O O . PHE A 1 444 ? -23.599 -42.128 -29.618 1.00 50.47 ? 465 PHE A O 1 +ATOM 3502 C CB . PHE A 1 444 ? -24.014 -41.853 -26.629 1.00 46.94 ? 465 PHE A CB 1 +ATOM 3503 C CG . PHE A 1 444 ? -23.813 -42.188 -25.187 1.00 46.25 ? 465 PHE A CG 1 +ATOM 3504 C CD1 . PHE A 1 444 ? -22.644 -42.783 -24.762 1.00 46.45 ? 465 PHE A CD1 1 +ATOM 3505 C CD2 . PHE A 1 444 ? -24.798 -41.907 -24.253 1.00 47.38 ? 465 PHE A CD2 1 +ATOM 3506 C CE1 . PHE A 1 444 ? -22.448 -43.097 -23.425 1.00 49.30 ? 465 PHE A CE1 1 +ATOM 3507 C CE2 . PHE A 1 444 ? -24.615 -42.217 -22.912 1.00 47.34 ? 465 PHE A CE2 1 +ATOM 3508 C CZ . PHE A 1 444 ? -23.441 -42.811 -22.496 1.00 47.58 ? 465 PHE A CZ 1 +ATOM 3509 N N . LYS A 1 445 ? -25.697 -42.896 -29.380 1.00 51.34 ? 466 LYS A N 1 +ATOM 3510 C CA . LYS A 1 445 ? -26.074 -42.559 -30.731 1.00 54.26 ? 466 LYS A CA 1 +ATOM 3511 C C . LYS A 1 445 ? -27.274 -41.659 -30.719 1.00 55.49 ? 466 LYS A C 1 +ATOM 3512 O O . LYS A 1 445 ? -28.077 -41.690 -29.788 1.00 55.53 ? 466 LYS A O 1 +ATOM 3513 C CB . LYS A 1 445 ? -26.433 -43.820 -31.526 1.00 56.38 ? 466 LYS A CB 1 +ATOM 3514 C CG . LYS A 1 445 ? -25.384 -44.916 -31.495 1.00 58.94 ? 466 LYS A CG 1 +ATOM 3515 C CD . LYS A 1 445 ? -25.541 -45.859 -32.698 1.00 61.72 ? 466 LYS A CD 1 +ATOM 3516 C CE . LYS A 1 445 ? -25.557 -45.084 -34.033 1.00 61.53 ? 466 LYS A CE 1 +ATOM 3517 N NZ . LYS A 1 445 ? -24.500 -44.014 -34.142 1.00 60.63 ? 466 LYS A NZ 1 +ATOM 3518 N N . PRO A 1 446 ? -27.419 -40.846 -31.767 1.00 57.25 ? 467 PRO A N 1 +ATOM 3519 C CA . PRO A 1 446 ? -28.561 -39.951 -31.831 1.00 59.04 ? 467 PRO A CA 1 +ATOM 3520 C C . PRO A 1 446 ? -29.808 -40.793 -31.648 1.00 61.72 ? 467 PRO A C 1 +ATOM 3521 O O . PRO A 1 446 ? -29.815 -41.986 -31.952 1.00 61.68 ? 467 PRO A O 1 +ATOM 3522 C CB . PRO A 1 446 ? -28.455 -39.367 -33.233 1.00 59.44 ? 467 PRO A CB 1 +ATOM 3523 C CG . PRO A 1 446 ? -26.979 -39.327 -33.463 1.00 58.57 ? 467 PRO A CG 1 +ATOM 3524 C CD . PRO A 1 446 ? -26.558 -40.683 -32.950 1.00 57.59 ? 467 PRO A CD 1 +ATOM 3525 N N . CYS A 1 447 ? -30.848 -40.164 -31.125 1.00 64.20 ? 468 CYS A N 1 +ATOM 3526 C CA . CYS A 1 447 ? -32.125 -40.813 -30.895 1.00 66.46 ? 468 CYS A CA 1 +ATOM 3527 C C . CYS A 1 447 ? -33.089 -40.094 -31.826 1.00 66.62 ? 468 CYS A C 1 +ATOM 3528 O O . CYS A 1 447 ? -32.759 -39.032 -32.357 1.00 65.13 ? 468 CYS A O 1 +ATOM 3529 C CB . CYS A 1 447 ? -32.528 -40.627 -29.427 1.00 68.73 ? 468 CYS A CB 1 +ATOM 3530 S SG . CYS A 1 447 ? -34.249 -40.927 -29.051 1.00 74.40 ? 468 CYS A SG 1 +ATOM 3531 N N . LYS A 1 448 ? -34.266 -40.669 -32.045 1.00 67.94 ? 469 LYS A N 1 +ATOM 3532 C CA . LYS A 1 448 ? -35.252 -40.041 -32.920 1.00 68.49 ? 469 LYS A CA 1 +ATOM 3533 C C . LYS A 1 448 ? -35.744 -38.726 -32.313 1.00 68.16 ? 469 LYS A C 1 +ATOM 3534 O O . LYS A 1 448 ? -36.200 -37.835 -33.030 1.00 67.77 ? 469 LYS A O 1 +ATOM 3535 C CB . LYS A 1 448 ? -36.427 -40.999 -33.162 1.00 70.28 ? 469 LYS A CB 1 +ATOM 3536 C CG . LYS A 1 448 ? -36.109 -42.152 -34.126 1.00 71.43 ? 469 LYS A CG 1 +ATOM 3537 C CD . LYS A 1 448 ? -37.233 -43.186 -34.185 1.00 71.78 ? 469 LYS A CD 1 +ATOM 3538 C CE . LYS A 1 448 ? -37.347 -43.958 -32.872 1.00 72.49 ? 469 LYS A CE 1 +ATOM 3539 N NZ . LYS A 1 448 ? -38.459 -44.956 -32.891 1.00 72.60 ? 469 LYS A NZ 1 +ATOM 3540 N N . GLU A 1 449 ? -35.624 -38.612 -30.990 1.00 68.30 ? 470 GLU A N 1 +ATOM 3541 C CA . GLU A 1 449 ? -36.035 -37.410 -30.256 1.00 68.27 ? 470 GLU A CA 1 +ATOM 3542 C C . GLU A 1 449 ? -34.846 -36.473 -30.001 1.00 66.37 ? 470 GLU A C 1 +ATOM 3543 O O . GLU A 1 449 ? -34.976 -35.473 -29.298 1.00 66.20 ? 470 GLU A O 1 +ATOM 3544 C CB . GLU A 1 449 ? -36.654 -37.783 -28.905 1.00 70.59 ? 470 GLU A CB 1 +ATOM 3545 C CG . GLU A 1 449 ? -37.824 -38.753 -28.966 1.00 74.14 ? 470 GLU A CG 1 +ATOM 3546 C CD . GLU A 1 449 ? -37.407 -40.162 -29.354 1.00 76.28 ? 470 GLU A CD 1 +ATOM 3547 O OE1 . GLU A 1 449 ? -37.173 -40.411 -30.558 1.00 77.43 ? 470 GLU A OE1 1 +ATOM 3548 O OE2 . GLU A 1 449 ? -37.306 -41.020 -28.447 1.00 77.36 ? 470 GLU A OE2 1 +ATOM 3549 N N . THR A 1 450 ? -33.690 -36.805 -30.565 1.00 63.97 ? 471 THR A N 1 +ATOM 3550 C CA . THR A 1 450 ? -32.502 -35.989 -30.381 1.00 62.09 ? 471 THR A CA 1 +ATOM 3551 C C . THR A 1 450 ? -32.593 -34.741 -31.235 1.00 61.30 ? 471 THR A C 1 +ATOM 3552 O O . THR A 1 450 ? -32.743 -34.819 -32.447 1.00 60.81 ? 471 THR A O 1 +ATOM 3553 C CB . THR A 1 450 ? -31.223 -36.756 -30.769 1.00 61.50 ? 471 THR A CB 1 +ATOM 3554 O OG1 . THR A 1 450 ? -31.140 -37.969 -30.014 1.00 59.31 ? 471 THR A OG1 1 +ATOM 3555 C CG2 . THR A 1 450 ? -29.994 -35.912 -30.472 1.00 60.90 ? 471 THR A CG2 1 +ATOM 3556 N N . GLN A 1 451 ? -32.496 -33.583 -30.600 1.00 60.81 ? 472 GLN A N 1 +ATOM 3557 C CA . GLN A 1 451 ? -32.578 -32.324 -31.327 1.00 60.57 ? 472 GLN A CA 1 +ATOM 3558 C C . GLN A 1 451 ? -31.284 -32.014 -32.094 1.00 60.16 ? 472 GLN A C 1 +ATOM 3559 O O . GLN A 1 451 ? -30.216 -31.858 -31.499 1.00 59.19 ? 472 GLN A O 1 +ATOM 3560 C CB . GLN A 1 451 ? -32.893 -31.183 -30.353 1.00 61.79 ? 472 GLN A CB 1 +ATOM 3561 C CG . GLN A 1 451 ? -33.148 -29.836 -31.004 1.00 64.12 ? 472 GLN A CG 1 +ATOM 3562 C CD . GLN A 1 451 ? -33.344 -28.737 -29.982 1.00 66.53 ? 472 GLN A CD 1 +ATOM 3563 O OE1 . GLN A 1 451 ? -32.474 -28.500 -29.136 1.00 68.72 ? 472 GLN A OE1 1 +ATOM 3564 N NE2 . GLN A 1 451 ? -34.488 -28.061 -30.045 1.00 68.01 ? 472 GLN A NE2 1 +ATOM 3565 N N . ILE A 1 452 ? -31.389 -31.932 -33.418 1.00 59.30 ? 473 ILE A N 1 +ATOM 3566 C CA . ILE A 1 452 ? -30.238 -31.615 -34.253 1.00 58.84 ? 473 ILE A CA 1 +ATOM 3567 C C . ILE A 1 452 ? -30.649 -30.611 -35.326 1.00 58.57 ? 473 ILE A C 1 +ATOM 3568 O O . ILE A 1 452 ? -31.600 -30.839 -36.075 1.00 58.92 ? 473 ILE A O 1 +ATOM 3569 C CB . ILE A 1 452 ? -29.650 -32.874 -34.937 1.00 58.06 ? 473 ILE A CB 1 +ATOM 3570 C CG1 . ILE A 1 452 ? -29.357 -33.948 -33.890 1.00 57.44 ? 473 ILE A CG1 1 +ATOM 3571 C CG2 . ILE A 1 452 ? -28.365 -32.507 -35.678 1.00 57.87 ? 473 ILE A CG2 1 +ATOM 3572 C CD1 . ILE A 1 452 ? -28.899 -35.271 -34.464 1.00 56.04 ? 473 ILE A CD1 1 +ATOM 3573 N N . PRO A 1 453 ? -29.955 -29.465 -35.388 1.00 57.80 ? 474 PRO A N 1 +ATOM 3574 C CA . PRO A 1 453 ? -28.845 -29.142 -34.486 1.00 56.60 ? 474 PRO A CA 1 +ATOM 3575 C C . PRO A 1 453 ? -29.388 -28.827 -33.097 1.00 55.85 ? 474 PRO A C 1 +ATOM 3576 O O . PRO A 1 453 ? -30.567 -28.490 -32.941 1.00 54.23 ? 474 PRO A O 1 +ATOM 3577 C CB . PRO A 1 453 ? -28.210 -27.901 -35.127 1.00 56.10 ? 474 PRO A CB 1 +ATOM 3578 C CG . PRO A 1 453 ? -28.787 -27.849 -36.532 1.00 57.95 ? 474 PRO A CG 1 +ATOM 3579 C CD . PRO A 1 453 ? -30.185 -28.370 -36.342 1.00 57.69 ? 474 PRO A CD 1 +ATOM 3580 N N . LEU A 1 454 ? -28.531 -28.940 -32.087 1.00 55.86 ? 475 LEU A N 1 +ATOM 3581 C CA . LEU A 1 454 ? -28.950 -28.634 -30.723 1.00 55.80 ? 475 LEU A CA 1 +ATOM 3582 C C . LEU A 1 454 ? -29.250 -27.148 -30.668 1.00 54.73 ? 475 LEU A C 1 +ATOM 3583 O O . LEU A 1 454 ? -28.478 -26.348 -31.189 1.00 53.51 ? 475 LEU A O 1 +ATOM 3584 C CB . LEU A 1 454 ? -27.838 -28.963 -29.718 1.00 56.66 ? 475 LEU A CB 1 +ATOM 3585 C CG . LEU A 1 454 ? -28.154 -28.681 -28.245 1.00 56.29 ? 475 LEU A CG 1 +ATOM 3586 C CD1 . LEU A 1 454 ? -29.409 -29.449 -27.842 1.00 57.85 ? 475 LEU A CD1 1 +ATOM 3587 C CD2 . LEU A 1 454 ? -26.985 -29.086 -27.370 1.00 56.71 ? 475 LEU A CD2 1 +ATOM 3588 N N . LYS A 1 455 ? -30.382 -26.788 -30.068 1.00 54.67 ? 476 LYS A N 1 +ATOM 3589 C CA . LYS A 1 455 ? -30.766 -25.383 -29.931 1.00 55.05 ? 476 LYS A CA 1 +ATOM 3590 C C . LYS A 1 455 ? -30.632 -24.970 -28.463 1.00 54.01 ? 476 LYS A C 1 +ATOM 3591 O O . LYS A 1 455 ? -31.038 -25.705 -27.551 1.00 54.20 ? 476 LYS A O 1 +ATOM 3592 C CB . LYS A 1 455 ? -32.207 -25.159 -30.418 1.00 57.02 ? 476 LYS A CB 1 +ATOM 3593 C CG . LYS A 1 455 ? -32.361 -25.072 -31.942 1.00 59.79 ? 476 LYS A CG 1 +ATOM 3594 C CD . LYS A 1 455 ? -33.691 -25.649 -32.429 1.00 61.42 ? 476 LYS A CD 1 +ATOM 3595 C CE . LYS A 1 455 ? -34.903 -24.960 -31.802 1.00 64.28 ? 476 LYS A CE 1 +ATOM 3596 N NZ . LYS A 1 455 ? -36.198 -25.638 -32.141 1.00 64.94 ? 476 LYS A NZ 1 +ATOM 3597 N N . LEU A 1 456 ? -30.048 -23.797 -28.241 1.00 51.81 ? 477 LEU A N 1 +ATOM 3598 C CA . LEU A 1 456 ? -29.852 -23.277 -26.890 1.00 50.18 ? 477 LEU A CA 1 +ATOM 3599 C C . LEU A 1 456 ? -31.079 -22.551 -26.315 1.00 49.10 ? 477 LEU A C 1 +ATOM 3600 O O . LEU A 1 456 ? -31.880 -21.964 -27.044 1.00 49.02 ? 477 LEU A O 1 +ATOM 3601 C CB . LEU A 1 456 ? -28.653 -22.327 -26.882 1.00 49.34 ? 477 LEU A CB 1 +ATOM 3602 C CG . LEU A 1 456 ? -27.295 -22.961 -27.163 1.00 48.50 ? 477 LEU A CG 1 +ATOM 3603 C CD1 . LEU A 1 456 ? -26.253 -21.885 -27.394 1.00 47.72 ? 477 LEU A CD1 1 +ATOM 3604 C CD2 . LEU A 1 456 ? -26.913 -23.830 -25.999 1.00 47.95 ? 477 LEU A CD2 1 +ATOM 3605 N N . SER A 1 457 ? -31.234 -22.627 -25.000 1.00 48.84 ? 478 SER A N 1 +ATOM 3606 C CA . SER A 1 457 ? -32.327 -21.948 -24.305 1.00 48.01 ? 478 SER A CA 1 +ATOM 3607 C C . SER A 1 457 ? -32.180 -20.438 -24.545 1.00 48.09 ? 478 SER A C 1 +ATOM 3608 O O . SER A 1 457 ? -31.087 -19.978 -24.917 1.00 47.88 ? 478 SER A O 1 +ATOM 3609 C CB . SER A 1 457 ? -32.230 -22.235 -22.808 1.00 47.83 ? 478 SER A CB 1 +ATOM 3610 O OG . SER A 1 457 ? -33.007 -21.320 -22.051 1.00 48.43 ? 478 SER A OG 1 +ATOM 3611 N N . LEU A 1 458 ? -33.267 -19.676 -24.358 1.00 46.78 ? 479 LEU A N 1 +ATOM 3612 C CA . LEU A 1 458 ? -33.223 -18.215 -24.523 1.00 46.28 ? 479 LEU A CA 1 +ATOM 3613 C C . LEU A 1 458 ? -33.132 -17.563 -23.156 1.00 45.01 ? 479 LEU A C 1 +ATOM 3614 O O . LEU A 1 458 ? -33.122 -16.327 -23.037 1.00 46.83 ? 479 LEU A O 1 +ATOM 3615 C CB . LEU A 1 458 ? -34.474 -17.691 -25.222 1.00 48.48 ? 479 LEU A CB 1 +ATOM 3616 C CG . LEU A 1 458 ? -34.816 -18.258 -26.598 1.00 50.11 ? 479 LEU A CG 1 +ATOM 3617 C CD1 . LEU A 1 458 ? -36.103 -17.577 -27.088 1.00 51.97 ? 479 LEU A CD1 1 +ATOM 3618 C CD2 . LEU A 1 458 ? -33.650 -18.037 -27.583 1.00 50.75 ? 479 LEU A CD2 1 +ATOM 3619 N N . GLY A 1 459 ? -33.078 -18.404 -22.127 1.00 42.25 ? 480 GLY A N 1 +ATOM 3620 C CA . GLY A 1 459 ? -32.993 -17.927 -20.757 1.00 38.28 ? 480 GLY A CA 1 +ATOM 3621 C C . GLY A 1 459 ? -31.611 -17.436 -20.396 1.00 35.02 ? 480 GLY A C 1 +ATOM 3622 O O . GLY A 1 459 ? -30.786 -17.193 -21.258 1.00 34.76 ? 480 GLY A O 1 +ATOM 3623 N N . GLY A 1 460 ? -31.351 -17.297 -19.111 1.00 33.35 ? 481 GLY A N 1 +ATOM 3624 C CA . GLY A 1 460 ? -30.061 -16.796 -18.690 1.00 32.04 ? 481 GLY A CA 1 +ATOM 3625 C C . GLY A 1 460 ? -29.029 -17.854 -18.415 1.00 30.41 ? 481 GLY A C 1 +ATOM 3626 O O . GLY A 1 460 ? -27.977 -17.531 -17.903 1.00 30.51 ? 481 GLY A O 1 +ATOM 3627 N N . LEU A 1 461 ? -29.337 -19.117 -18.705 1.00 31.84 ? 482 LEU A N 1 +ATOM 3628 C CA . LEU A 1 461 ? -28.368 -20.192 -18.500 1.00 33.06 ? 482 LEU A CA 1 +ATOM 3629 C C . LEU A 1 461 ? -28.021 -20.754 -19.870 1.00 32.19 ? 482 LEU A C 1 +ATOM 3630 O O . LEU A 1 461 ? -28.856 -20.710 -20.794 1.00 32.63 ? 482 LEU A O 1 +ATOM 3631 C CB . LEU A 1 461 ? -28.931 -21.302 -17.604 1.00 31.39 ? 482 LEU A CB 1 +ATOM 3632 C CG . LEU A 1 461 ? -29.140 -20.839 -16.149 1.00 36.71 ? 482 LEU A CG 1 +ATOM 3633 C CD1 . LEU A 1 461 ? -29.675 -21.995 -15.300 1.00 37.50 ? 482 LEU A CD1 1 +ATOM 3634 C CD2 . LEU A 1 461 ? -27.827 -20.332 -15.575 1.00 36.49 ? 482 LEU A CD2 1 +ATOM 3635 N N . LEU A 1 462 ? -26.789 -21.228 -20.012 1.00 30.28 ? 483 LEU A N 1 +ATOM 3636 C CA . LEU A 1 462 ? -26.349 -21.819 -21.281 1.00 32.14 ? 483 LEU A CA 1 +ATOM 3637 C C . LEU A 1 462 ? -26.745 -23.287 -21.218 1.00 30.93 ? 483 LEU A C 1 +ATOM 3638 O O . LEU A 1 462 ? -26.129 -24.088 -20.546 1.00 31.72 ? 483 LEU A O 1 +ATOM 3639 C CB . LEU A 1 462 ? -24.830 -21.671 -21.473 1.00 30.79 ? 483 LEU A CB 1 +ATOM 3640 C CG . LEU A 1 462 ? -24.358 -22.281 -22.802 1.00 33.38 ? 483 LEU A CG 1 +ATOM 3641 C CD1 . LEU A 1 462 ? -25.194 -21.744 -23.953 1.00 33.32 ? 483 LEU A CD1 1 +ATOM 3642 C CD2 . LEU A 1 462 ? -22.891 -21.992 -23.006 1.00 30.27 ? 483 LEU A CD2 1 +ATOM 3643 N N . GLN A 1 463 ? -27.801 -23.634 -21.921 1.00 33.66 ? 484 GLN A N 1 +ATOM 3644 C CA . GLN A 1 463 ? -28.284 -24.997 -21.868 1.00 36.39 ? 484 GLN A CA 1 +ATOM 3645 C C . GLN A 1 463 ? -29.164 -25.263 -23.061 1.00 37.19 ? 484 GLN A C 1 +ATOM 3646 O O . GLN A 1 463 ? -29.673 -24.349 -23.703 1.00 34.57 ? 484 GLN A O 1 +ATOM 3647 C CB . GLN A 1 463 ? -29.071 -25.240 -20.544 1.00 37.28 ? 484 GLN A CB 1 +ATOM 3648 C CG . GLN A 1 463 ? -30.302 -24.355 -20.361 1.00 42.43 ? 484 GLN A CG 1 +ATOM 3649 C CD . GLN A 1 463 ? -30.919 -24.385 -18.937 1.00 44.75 ? 484 GLN A CD 1 +ATOM 3650 O OE1 . GLN A 1 463 ? -31.925 -23.730 -18.683 1.00 43.77 ? 484 GLN A OE1 1 +ATOM 3651 N NE2 . GLN A 1 463 ? -30.302 -25.132 -18.019 1.00 48.02 ? 484 GLN A NE2 1 +ATOM 3652 N N . PRO A 1 464 ? -29.325 -26.541 -23.395 1.00 39.45 ? 485 PRO A N 1 +ATOM 3653 C CA . PRO A 1 464 ? -30.160 -26.908 -24.532 1.00 42.29 ? 485 PRO A CA 1 +ATOM 3654 C C . PRO A 1 464 ? -31.582 -26.429 -24.301 1.00 45.19 ? 485 PRO A C 1 +ATOM 3655 O O . PRO A 1 464 ? -32.039 -26.361 -23.161 1.00 45.34 ? 485 PRO A O 1 +ATOM 3656 C CB . PRO A 1 464 ? -30.066 -28.418 -24.547 1.00 41.47 ? 485 PRO A CB 1 +ATOM 3657 C CG . PRO A 1 464 ? -28.662 -28.670 -24.022 1.00 43.28 ? 485 PRO A CG 1 +ATOM 3658 C CD . PRO A 1 464 ? -28.573 -27.696 -22.876 1.00 39.53 ? 485 PRO A CD 1 +ATOM 3659 N N . GLU A 1 465 ? -32.267 -26.088 -25.387 1.00 47.70 ? 486 GLU A N 1 +ATOM 3660 C CA . GLU A 1 465 ? -33.650 -25.640 -25.314 1.00 50.93 ? 486 GLU A CA 1 +ATOM 3661 C C . GLU A 1 465 ? -34.471 -26.774 -24.711 1.00 51.57 ? 486 GLU A C 1 +ATOM 3662 O O . GLU A 1 465 ? -35.185 -26.579 -23.728 1.00 51.87 ? 486 GLU A O 1 +ATOM 3663 C CB . GLU A 1 465 ? -34.138 -25.292 -26.721 1.00 52.99 ? 486 GLU A CB 1 +ATOM 3664 C CG . GLU A 1 465 ? -35.641 -25.287 -26.937 1.00 55.70 ? 486 GLU A CG 1 +ATOM 3665 C CD . GLU A 1 465 ? -35.981 -24.852 -28.347 1.00 58.53 ? 486 GLU A CD 1 +ATOM 3666 O OE1 . GLU A 1 465 ? -35.931 -23.619 -28.604 1.00 59.27 ? 486 GLU A OE1 1 +ATOM 3667 O OE2 . GLU A 1 465 ? -36.270 -25.739 -29.200 1.00 59.05 ? 486 GLU A OE2 1 +ATOM 3668 N N . LYS A 1 466 ? -34.361 -27.954 -25.317 1.00 52.78 ? 487 LYS A N 1 +ATOM 3669 C CA . LYS A 1 466 ? -35.044 -29.154 -24.842 1.00 54.47 ? 487 LYS A CA 1 +ATOM 3670 C C . LYS A 1 466 ? -33.936 -30.028 -24.291 1.00 53.98 ? 487 LYS A C 1 +ATOM 3671 O O . LYS A 1 466 ? -32.819 -29.987 -24.791 1.00 55.35 ? 487 LYS A O 1 +ATOM 3672 C CB . LYS A 1 466 ? -35.750 -29.866 -25.996 1.00 55.43 ? 487 LYS A CB 1 +ATOM 3673 C CG . LYS A 1 466 ? -36.741 -28.971 -26.716 1.00 58.19 ? 487 LYS A CG 1 +ATOM 3674 C CD . LYS A 1 466 ? -37.506 -29.695 -27.810 1.00 60.03 ? 487 LYS A CD 1 +ATOM 3675 C CE . LYS A 1 466 ? -38.505 -28.735 -28.462 1.00 60.87 ? 487 LYS A CE 1 +ATOM 3676 N NZ . LYS A 1 466 ? -39.389 -29.422 -29.440 1.00 63.47 ? 487 LYS A NZ 1 +ATOM 3677 N N . PRO A 1 467 ? -34.220 -30.827 -23.255 1.00 53.87 ? 488 PRO A N 1 +ATOM 3678 C CA . PRO A 1 467 ? -33.167 -31.677 -22.701 1.00 53.15 ? 488 PRO A CA 1 +ATOM 3679 C C . PRO A 1 467 ? -32.637 -32.658 -23.734 1.00 52.07 ? 488 PRO A C 1 +ATOM 3680 O O . PRO A 1 467 ? -33.373 -33.111 -24.619 1.00 53.01 ? 488 PRO A O 1 +ATOM 3681 C CB . PRO A 1 467 ? -33.860 -32.361 -21.527 1.00 53.91 ? 488 PRO A CB 1 +ATOM 3682 C CG . PRO A 1 467 ? -35.267 -32.490 -22.020 1.00 54.84 ? 488 PRO A CG 1 +ATOM 3683 C CD . PRO A 1 467 ? -35.517 -31.127 -22.625 1.00 54.70 ? 488 PRO A CD 1 +ATOM 3684 N N . VAL A 1 468 ? -31.346 -32.965 -23.630 1.00 50.71 ? 489 VAL A N 1 +ATOM 3685 C CA . VAL A 1 468 ? -30.710 -33.888 -24.562 1.00 47.56 ? 489 VAL A CA 1 +ATOM 3686 C C . VAL A 1 468 ? -30.978 -35.328 -24.170 1.00 46.95 ? 489 VAL A C 1 +ATOM 3687 O O . VAL A 1 468 ? -30.692 -35.751 -23.047 1.00 44.90 ? 489 VAL A O 1 +ATOM 3688 C CB . VAL A 1 468 ? -29.172 -33.669 -24.640 1.00 46.53 ? 489 VAL A CB 1 +ATOM 3689 C CG1 . VAL A 1 468 ? -28.522 -34.781 -25.455 1.00 43.00 ? 489 VAL A CG1 1 +ATOM 3690 C CG2 . VAL A 1 468 ? -28.866 -32.322 -25.299 1.00 46.52 ? 489 VAL A CG2 1 +ATOM 3691 N N . VAL A 1 469 ? -31.549 -36.069 -25.112 1.00 46.80 ? 490 VAL A N 1 +ATOM 3692 C CA . VAL A 1 469 ? -31.849 -37.472 -24.909 1.00 47.15 ? 490 VAL A CA 1 +ATOM 3693 C C . VAL A 1 469 ? -31.140 -38.257 -26.015 1.00 48.43 ? 490 VAL A C 1 +ATOM 3694 O O . VAL A 1 469 ? -31.181 -37.876 -27.190 1.00 48.44 ? 490 VAL A O 1 +ATOM 3695 C CB . VAL A 1 469 ? -33.362 -37.730 -24.978 1.00 47.12 ? 490 VAL A CB 1 +ATOM 3696 C CG1 . VAL A 1 469 ? -34.050 -36.980 -23.861 1.00 46.33 ? 490 VAL A CG1 1 +ATOM 3697 C CG2 . VAL A 1 469 ? -33.911 -37.278 -26.322 1.00 46.18 ? 490 VAL A CG2 1 +ATOM 3698 N N . LEU A 1 470 ? -30.487 -39.348 -25.632 1.00 49.20 ? 491 LEU A N 1 +ATOM 3699 C CA . LEU A 1 470 ? -29.767 -40.165 -26.596 1.00 50.98 ? 491 LEU A CA 1 +ATOM 3700 C C . LEU A 1 470 ? -29.918 -41.657 -26.326 1.00 53.37 ? 491 LEU A C 1 +ATOM 3701 O O . LEU A 1 470 ? -30.020 -42.093 -25.170 1.00 52.42 ? 491 LEU A O 1 +ATOM 3702 C CB . LEU A 1 470 ? -28.278 -39.841 -26.560 1.00 47.52 ? 491 LEU A CB 1 +ATOM 3703 C CG . LEU A 1 470 ? -27.859 -38.383 -26.678 1.00 45.65 ? 491 LEU A CG 1 +ATOM 3704 C CD1 . LEU A 1 470 ? -26.395 -38.309 -26.392 1.00 42.00 ? 491 LEU A CD1 1 +ATOM 3705 C CD2 . LEU A 1 470 ? -28.213 -37.822 -28.059 1.00 43.64 ? 491 LEU A CD2 1 +ATOM 3706 N N . LYS A 1 471 ? -29.898 -42.430 -27.410 1.00 55.19 ? 492 LYS A N 1 +ATOM 3707 C CA . LYS A 1 471 ? -29.979 -43.882 -27.325 1.00 55.55 ? 492 LYS A CA 1 +ATOM 3708 C C . LYS A 1 471 ? -28.593 -44.336 -26.865 1.00 54.39 ? 492 LYS A C 1 +ATOM 3709 O O . LYS A 1 471 ? -27.575 -43.925 -27.430 1.00 54.43 ? 492 LYS A O 1 +ATOM 3710 C CB . LYS A 1 471 ? -30.323 -44.452 -28.705 1.00 57.93 ? 492 LYS A CB 1 +ATOM 3711 C CG . LYS A 1 471 ? -30.754 -45.914 -28.710 1.00 60.32 ? 492 LYS A CG 1 +ATOM 3712 C CD . LYS A 1 471 ? -31.459 -46.265 -30.030 1.00 62.37 ? 492 LYS A CD 1 +ATOM 3713 C CE . LYS A 1 471 ? -30.529 -46.155 -31.238 1.00 61.97 ? 492 LYS A CE 1 +ATOM 3714 N NZ . LYS A 1 471 ? -29.519 -47.258 -31.286 1.00 64.05 ? 492 LYS A NZ 1 +ATOM 3715 N N . VAL A 1 472 ? -28.552 -45.158 -25.825 1.00 54.05 ? 493 VAL A N 1 +ATOM 3716 C CA . VAL A 1 472 ? -27.291 -45.646 -25.281 1.00 54.48 ? 493 VAL A CA 1 +ATOM 3717 C C . VAL A 1 472 ? -27.138 -47.152 -25.500 1.00 57.12 ? 493 VAL A C 1 +ATOM 3718 O O . VAL A 1 472 ? -28.022 -47.920 -25.118 1.00 57.35 ? 493 VAL A O 1 +ATOM 3719 C CB . VAL A 1 472 ? -27.217 -45.379 -23.771 1.00 53.95 ? 493 VAL A CB 1 +ATOM 3720 C CG1 . VAL A 1 472 ? -25.918 -45.929 -23.200 1.00 53.05 ? 493 VAL A CG1 1 +ATOM 3721 C CG2 . VAL A 1 472 ? -27.341 -43.897 -23.501 1.00 52.90 ? 493 VAL A CG2 1 +ATOM 3722 N N . GLU A 1 473 ? -26.019 -47.572 -26.097 1.00 58.03 ? 494 GLU A N 1 +ATOM 3723 C CA . GLU A 1 473 ? -25.758 -48.997 -26.343 1.00 58.79 ? 494 GLU A CA 1 +ATOM 3724 C C . GLU A 1 473 ? -24.483 -49.508 -25.668 1.00 59.10 ? 494 GLU A C 1 +ATOM 3725 O O . GLU A 1 473 ? -23.429 -48.862 -25.718 1.00 57.87 ? 494 GLU A O 1 +ATOM 3726 C CB . GLU A 1 473 ? -25.642 -49.272 -27.838 1.00 60.31 ? 494 GLU A CB 1 +ATOM 3727 C CG . GLU A 1 473 ? -26.870 -48.911 -28.638 1.00 62.32 ? 494 GLU A CG 1 +ATOM 3728 C CD . GLU A 1 473 ? -26.634 -49.075 -30.124 1.00 63.99 ? 494 GLU A CD 1 +ATOM 3729 O OE1 . GLU A 1 473 ? -25.559 -48.642 -30.596 1.00 65.07 ? 494 GLU A OE1 1 +ATOM 3730 O OE2 . GLU A 1 473 ? -27.519 -49.625 -30.818 1.00 65.05 ? 494 GLU A OE2 1 +ATOM 3731 N N . SER A 1 474 ? -24.572 -50.683 -25.053 1.00 59.26 ? 495 SER A N 1 +ATOM 3732 C CA . SER A 1 474 ? -23.404 -51.255 -24.394 1.00 61.61 ? 495 SER A CA 1 +ATOM 3733 C C . SER A 1 474 ? -22.518 -51.924 -25.422 1.00 62.40 ? 495 SER A C 1 +ATOM 3734 O O . SER A 1 474 ? -23.003 -52.595 -26.328 1.00 62.65 ? 495 SER A O 1 +ATOM 3735 C CB . SER A 1 474 ? -23.813 -52.283 -23.332 1.00 61.38 ? 495 SER A CB 1 +ATOM 3736 O OG . SER A 1 474 ? -24.506 -53.371 -23.909 1.00 62.21 ? 495 SER A OG 1 +ATOM 3737 N N . ARG A 1 475 ? -21.217 -51.710 -25.290 1.00 64.55 ? 496 ARG A N 1 +ATOM 3738 C CA . ARG A 1 475 ? -20.249 -52.319 -26.183 1.00 67.29 ? 496 ARG A CA 1 +ATOM 3739 C C . ARG A 1 475 ? -20.131 -53.759 -25.669 1.00 70.31 ? 496 ARG A C 1 +ATOM 3740 O O . ARG A 1 475 ? -19.355 -54.035 -24.749 1.00 70.57 ? 496 ARG A O 1 +ATOM 3741 C CB . ARG A 1 475 ? -18.909 -51.583 -26.072 1.00 65.17 ? 496 ARG A CB 1 +ATOM 3742 C CG . ARG A 1 475 ? -19.002 -50.054 -26.227 1.00 62.66 ? 496 ARG A CG 1 +ATOM 3743 C CD . ARG A 1 475 ? -17.663 -49.364 -25.907 1.00 61.17 ? 496 ARG A CD 1 +ATOM 3744 N NE . ARG A 1 475 ? -16.616 -49.664 -26.888 1.00 57.29 ? 496 ARG A NE 1 +ATOM 3745 C CZ . ARG A 1 475 ? -15.343 -49.270 -26.798 1.00 57.73 ? 496 ARG A CZ 1 +ATOM 3746 N NH1 . ARG A 1 475 ? -14.927 -48.543 -25.764 1.00 55.77 ? 496 ARG A NH1 1 +ATOM 3747 N NH2 . ARG A 1 475 ? -14.469 -49.613 -27.745 1.00 55.70 ? 496 ARG A NH2 1 +ATOM 3748 N N . ASP A 1 476 ? -20.921 -54.664 -26.250 1.00 73.76 ? 497 ASP A N 1 +ATOM 3749 C CA . ASP A 1 476 ? -20.944 -56.069 -25.826 1.00 77.34 ? 497 ASP A CA 1 +ATOM 3750 C C . ASP A 1 476 ? -21.574 -56.111 -24.442 1.00 78.87 ? 497 ASP A C 1 +ATOM 3751 O O . ASP A 1 476 ? -20.872 -56.264 -23.435 1.00 78.54 ? 497 ASP A O 1 +ATOM 3752 C CB . ASP A 1 476 ? -19.527 -56.653 -25.753 1.00 79.24 ? 497 ASP A CB 1 +ATOM 3753 C CG . ASP A 1 476 ? -18.990 -57.072 -27.109 1.00 80.65 ? 497 ASP A CG 1 +ATOM 3754 O OD1 . ASP A 1 476 ? -19.515 -58.058 -27.679 1.00 81.37 ? 497 ASP A OD1 1 +ATOM 3755 O OD2 . ASP A 1 476 ? -18.044 -56.414 -27.601 1.00 81.49 ? 497 ASP A OD2 1 +ATOM 3756 N N . GLY A 1 477 ? -22.897 -55.979 -24.400 1.00 80.32 ? 498 GLY A N 1 +ATOM 3757 C CA . GLY A 1 477 ? -23.596 -55.960 -23.128 1.00 82.66 ? 498 GLY A CA 1 +ATOM 3758 C C . GLY A 1 477 ? -24.270 -57.232 -22.655 1.00 84.57 ? 498 GLY A C 1 +ATOM 3759 O O . GLY A 1 477 ? -24.941 -57.209 -21.619 1.00 84.57 ? 498 GLY A O 1 +ATOM 3760 N N . THR A 1 478 ? -24.109 -58.336 -23.384 1.00 86.02 ? 499 THR A N 1 +ATOM 3761 C CA . THR A 1 478 ? -24.734 -59.595 -22.970 1.00 87.42 ? 499 THR A CA 1 +ATOM 3762 C C . THR A 1 478 ? -23.671 -60.575 -22.449 1.00 87.85 ? 499 THR A C 1 +ATOM 3763 O O . THR A 1 478 ? -22.471 -60.357 -22.741 1.00 87.85 ? 499 THR A O 1 +ATOM 3764 C CB . THR A 1 478 ? -25.517 -60.264 -24.148 1.00 87.94 ? 499 THR A CB 1 +ATOM 3765 O OG1 . THR A 1 478 ? -26.117 -59.255 -24.974 1.00 87.94 ? 499 THR A OG1 1 +ATOM 3766 C CG2 . THR A 1 478 ? -26.630 -61.169 -23.602 1.00 88.35 ? 499 THR A CG2 1 +HETATM 3767 C CHA . HEM B 2 . ? -15.560 -19.721 -10.646 1.00 33.10 ? 508 HEM A CHA 1 +HETATM 3768 C CHB . HEM B 2 . ? -16.452 -22.296 -14.515 1.00 29.45 ? 508 HEM A CHB 1 +HETATM 3769 C CHC . HEM B 2 . ? -16.814 -26.148 -11.820 1.00 34.97 ? 508 HEM A CHC 1 +HETATM 3770 C CHD . HEM B 2 . ? -15.552 -23.643 -7.998 1.00 36.27 ? 508 HEM A CHD 1 +HETATM 3771 C C1A . HEM B 2 . ? -15.597 -20.050 -12.014 1.00 31.80 ? 508 HEM A C1A 1 +HETATM 3772 C C2A . HEM B 2 . ? -15.544 -19.183 -13.121 1.00 31.63 ? 508 HEM A C2A 1 +HETATM 3773 C C3A . HEM B 2 . ? -15.780 -19.956 -14.223 1.00 32.28 ? 508 HEM A C3A 1 +HETATM 3774 C C4A . HEM B 2 . ? -15.976 -21.251 -13.764 1.00 31.80 ? 508 HEM A C4A 1 +HETATM 3775 C CMA . HEM B 2 . ? -15.811 -19.471 -15.746 1.00 29.05 ? 508 HEM A CMA 1 +HETATM 3776 C CAA . HEM B 2 . ? -15.268 -17.678 -13.142 1.00 32.24 ? 508 HEM A CAA 1 +HETATM 3777 C CBA . HEM B 2 . ? -13.804 -17.380 -13.296 1.00 34.99 ? 508 HEM A CBA 1 +HETATM 3778 C CGA . HEM B 2 . ? -13.448 -15.931 -13.415 1.00 35.41 ? 508 HEM A CGA 1 +HETATM 3779 O O1A . HEM B 2 . ? -12.376 -15.641 -13.949 1.00 38.27 ? 508 HEM A O1A 1 +HETATM 3780 O O2A . HEM B 2 . ? -14.209 -15.042 -13.060 1.00 36.77 ? 508 HEM A O2A 1 +HETATM 3781 C C1B . HEM B 2 . ? -16.476 -23.657 -14.236 1.00 32.19 ? 508 HEM A C1B 1 +HETATM 3782 C C2B . HEM B 2 . ? -16.842 -24.699 -15.129 1.00 31.12 ? 508 HEM A C2B 1 +HETATM 3783 C C3B . HEM B 2 . ? -17.005 -25.840 -14.293 1.00 33.64 ? 508 HEM A C3B 1 +HETATM 3784 C C4B . HEM B 2 . ? -16.724 -25.385 -12.977 1.00 32.78 ? 508 HEM A C4B 1 +HETATM 3785 C CMB . HEM B 2 . ? -17.004 -24.559 -16.634 1.00 25.35 ? 508 HEM A CMB 1 +HETATM 3786 C CAB . HEM B 2 . ? -17.367 -27.178 -14.634 1.00 32.10 ? 508 HEM A CAB 1 +HETATM 3787 C CBB . HEM B 2 . ? -17.205 -27.926 -15.896 1.00 36.12 ? 508 HEM A CBB 1 +HETATM 3788 C C1C . HEM B 2 . ? -16.363 -25.903 -10.529 1.00 35.06 ? 508 HEM A C1C 1 +HETATM 3789 C C2C . HEM B 2 . ? -16.330 -26.830 -9.514 1.00 36.92 ? 508 HEM A C2C 1 +HETATM 3790 C C3C . HEM B 2 . ? -15.986 -26.120 -8.342 1.00 38.80 ? 508 HEM A C3C 1 +HETATM 3791 C C4C . HEM B 2 . ? -15.833 -24.777 -8.768 1.00 36.45 ? 508 HEM A C4C 1 +HETATM 3792 C CMC . HEM B 2 . ? -16.618 -28.367 -9.654 1.00 36.13 ? 508 HEM A CMC 1 +HETATM 3793 C CAC . HEM B 2 . ? -15.806 -26.519 -7.029 1.00 39.41 ? 508 HEM A CAC 1 +HETATM 3794 C CBC . HEM B 2 . ? -15.086 -27.625 -6.526 1.00 42.42 ? 508 HEM A CBC 1 +HETATM 3795 C C1D . HEM B 2 . ? -15.561 -22.334 -8.362 1.00 36.10 ? 508 HEM A C1D 1 +HETATM 3796 C C2D . HEM B 2 . ? -15.431 -21.280 -7.478 1.00 36.32 ? 508 HEM A C2D 1 +HETATM 3797 C C3D . HEM B 2 . ? -15.279 -20.141 -8.213 1.00 36.60 ? 508 HEM A C3D 1 +HETATM 3798 C C4D . HEM B 2 . ? -15.329 -20.563 -9.563 1.00 35.03 ? 508 HEM A C4D 1 +HETATM 3799 C CMD . HEM B 2 . ? -15.447 -21.345 -5.937 1.00 35.22 ? 508 HEM A CMD 1 +HETATM 3800 C CAD . HEM B 2 . ? -15.092 -18.715 -7.649 1.00 33.19 ? 508 HEM A CAD 1 +HETATM 3801 C CBD . HEM B 2 . ? -13.578 -18.419 -7.435 1.00 36.93 ? 508 HEM A CBD 1 +HETATM 3802 C CGD . HEM B 2 . ? -13.146 -17.057 -6.844 1.00 38.80 ? 508 HEM A CGD 1 +HETATM 3803 O O1D . HEM B 2 . ? -12.106 -16.955 -6.219 1.00 40.03 ? 508 HEM A O1D 1 +HETATM 3804 O O2D . HEM B 2 . ? -13.867 -16.061 -7.005 1.00 39.63 ? 508 HEM A O2D 1 +HETATM 3805 N NA . HEM B 2 . ? -15.862 -21.317 -12.447 1.00 33.91 ? 508 HEM A NA 1 +HETATM 3806 N NB . HEM B 2 . ? -16.415 -24.109 -12.967 1.00 34.60 ? 508 HEM A NB 1 +HETATM 3807 N NC . HEM B 2 . ? -16.069 -24.686 -10.099 1.00 36.86 ? 508 HEM A NC 1 +HETATM 3808 N ND . HEM B 2 . ? -15.495 -21.891 -9.605 1.00 35.41 ? 508 HEM A ND 1 +HETATM 3809 FE FE . HEM B 2 . ? -15.846 -23.032 -11.293 1.00 32.07 ? 508 HEM A FE 1 +HETATM 3810 O O . HOH C 3 . ? -17.896 -22.802 -11.166 1.00 39.05 ? 509 HOH A O 1 +HETATM 3811 O O . HOH C 3 . ? -30.465 -23.810 -12.844 1.00 47.23 ? 510 HOH A O 1 +HETATM 3812 O O . HOH C 3 . ? -19.375 -19.692 -9.011 1.00 54.56 ? 511 HOH A O 1 +HETATM 3813 O O . HOH C 3 . ? -19.657 -17.459 -10.200 1.00 59.14 ? 512 HOH A O 1 +HETATM 3814 O O . HOH C 3 . ? -20.277 -10.689 -11.676 1.00 37.63 ? 513 HOH A O 1 +HETATM 3815 O O . HOH C 3 . ? -25.143 -21.181 -18.039 1.00 28.45 ? 514 HOH A O 1 +HETATM 3816 O O . HOH C 3 . ? -25.255 -18.716 -10.661 1.00 37.59 ? 515 HOH A O 1 +HETATM 3817 O O . HOH C 3 . ? -16.940 -10.863 -5.739 1.00 45.76 ? 516 HOH A O 1 +HETATM 3818 O O . HOH C 3 . ? -26.262 -25.223 -15.652 1.00 48.52 ? 517 HOH A O 1 +HETATM 3819 O O . HOH C 3 . ? -23.921 -10.996 -16.931 1.00 49.59 ? 518 HOH A O 1 +HETATM 3820 O O . HOH C 3 . ? -25.515 -24.328 -17.839 1.00 61.63 ? 519 HOH A O 1 +HETATM 3821 O O . HOH C 3 . ? -20.316 -13.498 -6.842 1.00 46.63 ? 520 HOH A O 1 +HETATM 3822 O O . HOH C 3 . ? -19.756 -10.115 -4.542 1.00 45.01 ? 521 HOH A O 1 +HETATM 3823 O O . HOH C 3 . ? -23.009 -13.491 -16.866 1.00 56.05 ? 522 HOH A O 1 +HETATM 3824 O O . HOH C 3 . ? -19.096 -18.356 -13.015 1.00 51.42 ? 523 HOH A O 1 +HETATM 3825 O O . HOH C 3 . ? -20.214 -21.369 -13.507 1.00 56.48 ? 524 HOH A O 1 +HETATM 3826 O O . HOH C 3 . ? -21.872 -17.197 -6.976 1.00 44.67 ? 525 HOH A O 1 +HETATM 3827 O O . HOH C 3 . ? -21.895 -12.683 -9.911 1.00 54.56 ? 526 HOH A O 1 +HETATM 3828 O O . HOH C 3 . ? -23.665 -11.352 -11.171 1.00 60.57 ? 527 HOH A O 1 +HETATM 3829 O O . HOH C 3 . ? -24.198 -20.200 -15.191 1.00 45.24 ? 528 HOH A O 1 +HETATM 3830 O O . HOH C 3 . ? -26.496 -26.805 -19.558 1.00 52.34 ? 529 HOH A O 1 +HETATM 3831 O O . HOH C 3 . ? -28.308 -16.387 -25.776 1.00 34.77 ? 530 HOH A O 1 +HETATM 3832 O O . HOH C 3 . ? -34.080 -2.366 -22.472 1.00 24.97 ? 531 HOH A O 1 +HETATM 3833 O O . HOH C 3 . ? -16.028 -18.464 -19.523 1.00 28.49 ? 532 HOH A O 1 +HETATM 3834 O O . HOH C 3 . ? -23.112 -7.253 -24.952 1.00 29.67 ? 533 HOH A O 1 +HETATM 3835 O O . HOH C 3 . ? -17.513 -21.047 -19.185 1.00 36.11 ? 534 HOH A O 1 +HETATM 3836 O O . HOH C 3 . ? -8.635 -13.235 -12.103 1.00 35.78 ? 535 HOH A O 1 +HETATM 3837 O O . HOH C 3 . ? -15.822 -0.659 -30.355 1.00 30.31 ? 536 HOH A O 1 +HETATM 3838 O O . HOH C 3 . ? -17.175 -31.317 -11.033 1.00 28.22 ? 537 HOH A O 1 +HETATM 3839 O O . HOH C 3 . ? -7.315 -36.280 -20.706 1.00 37.05 ? 538 HOH A O 1 +HETATM 3840 O O . HOH C 3 . ? -25.264 1.778 -24.481 1.00 34.82 ? 539 HOH A O 1 +HETATM 3841 O O . HOH C 3 . ? -20.450 -13.846 -23.984 1.00 34.65 ? 540 HOH A O 1 +HETATM 3842 O O . HOH C 3 . ? -31.089 -2.342 -25.589 1.00 37.21 ? 541 HOH A O 1 +HETATM 3843 O O . HOH C 3 . ? -30.736 -11.533 -26.365 1.00 32.20 ? 542 HOH A O 1 +HETATM 3844 O O . HOH C 3 . ? -9.535 -9.690 -11.980 1.00 35.86 ? 543 HOH A O 1 +HETATM 3845 O O . HOH C 3 . ? -2.206 -12.367 -25.305 1.00 42.40 ? 544 HOH A O 1 +HETATM 3846 O O . HOH C 3 . ? -18.568 -13.257 -31.876 1.00 45.62 ? 545 HOH A O 1 +HETATM 3847 O O . HOH C 3 . ? -13.662 -5.193 -7.618 1.00 40.23 ? 546 HOH A O 1 +HETATM 3848 O O . HOH C 3 . ? -5.836 -28.667 -21.747 1.00 38.13 ? 547 HOH A O 1 +HETATM 3849 O O . HOH C 3 . ? -20.391 -12.038 -33.142 1.00 44.53 ? 548 HOH A O 1 +HETATM 3850 O O . HOH C 3 . ? -10.361 -20.707 -18.789 1.00 37.06 ? 549 HOH A O 1 +HETATM 3851 O O . HOH C 3 . ? -24.363 6.092 -23.064 1.00 36.80 ? 550 HOH A O 1 +HETATM 3852 O O . HOH C 3 . ? -12.990 5.475 -22.386 1.00 45.03 ? 551 HOH A O 1 +HETATM 3853 O O . HOH C 3 . ? -7.454 -48.970 -29.296 1.00 38.31 ? 552 HOH A O 1 +HETATM 3854 O O . HOH C 3 . ? -18.597 -45.597 -31.103 1.00 46.12 ? 553 HOH A O 1 +HETATM 3855 O O . HOH C 3 . ? -25.175 -10.124 -3.955 1.00 42.13 ? 554 HOH A O 1 +HETATM 3856 O O . HOH C 3 . ? -10.882 -26.398 -21.127 1.00 35.92 ? 555 HOH A O 1 +HETATM 3857 O O . HOH C 3 . ? -32.990 5.530 -16.257 1.00 49.21 ? 556 HOH A O 1 +HETATM 3858 O O . HOH C 3 . ? -28.632 -21.195 -23.587 1.00 44.24 ? 557 HOH A O 1 +HETATM 3859 O O . HOH C 3 . ? -7.669 -20.421 -15.981 1.00 46.97 ? 558 HOH A O 1 +HETATM 3860 O O . HOH C 3 . ? -12.761 -15.009 -23.262 1.00 31.54 ? 559 HOH A O 1 +HETATM 3861 O O . HOH C 3 . ? -14.028 -1.642 -32.715 1.00 46.10 ? 560 HOH A O 1 +HETATM 3862 O O . HOH C 3 . ? -15.525 -3.811 -6.171 1.00 46.31 ? 561 HOH A O 1 +HETATM 3863 O O . HOH C 3 . ? -10.786 -35.012 -34.146 1.00 47.00 ? 562 HOH A O 1 +HETATM 3864 O O . HOH C 3 . ? -38.262 -15.382 -10.571 1.00 40.98 ? 563 HOH A O 1 +HETATM 3865 O O . HOH C 3 . ? -30.046 -4.567 4.844 1.00 34.36 ? 564 HOH A O 1 +HETATM 3866 O O . HOH C 3 . ? -22.486 -28.000 -31.401 1.00 44.98 ? 565 HOH A O 1 +HETATM 3867 O O . HOH C 3 . ? -26.023 -5.086 -12.107 1.00 43.71 ? 566 HOH A O 1 +HETATM 3868 O O . HOH C 3 . ? -35.386 -17.115 -17.979 1.00 57.98 ? 567 HOH A O 1 +HETATM 3869 O O . HOH C 3 . ? -27.887 -2.758 -4.032 1.00 65.78 ? 568 HOH A O 1 +HETATM 3870 O O . HOH C 3 . ? -20.031 -33.430 -9.457 1.00 43.05 ? 569 HOH A O 1 +HETATM 3871 O O . HOH C 3 . ? -26.361 -42.009 -8.558 1.00 42.70 ? 570 HOH A O 1 +HETATM 3872 O O . HOH C 3 . ? -37.086 -35.207 -5.828 1.00 50.29 ? 571 HOH A O 1 +HETATM 3873 O O . HOH C 3 . ? -23.715 11.777 -21.751 1.00 46.86 ? 572 HOH A O 1 +HETATM 3874 O O . HOH C 3 . ? -24.631 4.382 -24.689 1.00 31.46 ? 573 HOH A O 1 +HETATM 3875 O O . HOH C 3 . ? -30.580 -9.757 -28.938 1.00 48.65 ? 574 HOH A O 1 +HETATM 3876 O O . HOH C 3 . ? -33.524 -1.728 -25.476 1.00 42.35 ? 575 HOH A O 1 +HETATM 3877 O O . HOH C 3 . ? -34.991 7.216 -14.725 1.00 44.58 ? 576 HOH A O 1 +HETATM 3878 O O . HOH C 3 . ? -34.242 1.147 -12.919 1.00 35.05 ? 577 HOH A O 1 +HETATM 3879 O O . HOH C 3 . ? -28.601 -3.355 -11.999 1.00 53.86 ? 578 HOH A O 1 +HETATM 3880 O O . HOH C 3 . ? -30.961 -0.360 -12.119 1.00 38.38 ? 579 HOH A O 1 +HETATM 3881 O O . HOH C 3 . ? -11.020 -4.552 -25.727 1.00 42.53 ? 580 HOH A O 1 +HETATM 3882 O O . HOH C 3 . ? -3.159 -7.767 -9.905 1.00 55.69 ? 581 HOH A O 1 +HETATM 3883 O O . HOH C 3 . ? -18.833 -6.075 -6.240 1.00 53.66 ? 582 HOH A O 1 +HETATM 3884 O O . HOH C 3 . ? -31.557 -20.762 -19.847 1.00 44.64 ? 583 HOH A O 1 +HETATM 3885 O O . HOH C 3 . ? -17.325 -44.392 -35.876 1.00 44.69 ? 584 HOH A O 1 +HETATM 3886 O O . HOH C 3 . ? -17.896 -42.801 -38.304 1.00 38.47 ? 585 HOH A O 1 +HETATM 3887 O O . HOH C 3 . ? -18.633 -40.104 -38.289 1.00 60.61 ? 586 HOH A O 1 +HETATM 3888 O O . HOH C 3 . ? -3.312 -40.016 -25.498 1.00 51.60 ? 587 HOH A O 1 +HETATM 3889 O O . HOH C 3 . ? -11.038 -49.412 -22.185 1.00 49.77 ? 588 HOH A O 1 +HETATM 3890 O O . HOH C 3 . ? -7.204 -32.603 -16.668 1.00 42.50 ? 589 HOH A O 1 +HETATM 3891 O O . HOH C 3 . ? -7.419 -32.107 -14.078 1.00 45.41 ? 590 HOH A O 1 +HETATM 3892 O O . HOH C 3 . ? -7.952 -20.824 -20.981 1.00 52.98 ? 591 HOH A O 1 +HETATM 3893 O O . HOH C 3 . ? -35.423 -12.235 -20.908 1.00 62.58 ? 592 HOH A O 1 +HETATM 3894 O O . HOH C 3 . ? -31.815 -30.554 -26.919 1.00 44.34 ? 593 HOH A O 1 +HETATM 3895 O O . HOH C 3 . ? -19.592 -29.567 -36.104 1.00 56.68 ? 594 HOH A O 1 +HETATM 3896 O O . HOH C 3 . ? -37.690 -8.887 -23.702 1.00 49.05 ? 595 HOH A O 1 +HETATM 3897 O O . HOH C 3 . ? -36.562 -6.404 -28.051 1.00 65.43 ? 596 HOH A O 1 +HETATM 3898 O O . HOH C 3 . ? -27.724 7.232 -23.909 1.00 43.88 ? 597 HOH A O 1 +HETATM 3899 O O . HOH C 3 . ? -32.182 6.174 -20.729 1.00 52.11 ? 598 HOH A O 1 +HETATM 3900 O O . HOH C 3 . ? -16.641 -10.491 -35.407 1.00 55.10 ? 599 HOH A O 1 +HETATM 3901 O O . HOH C 3 . ? -5.018 -14.271 -3.817 1.00 58.49 ? 600 HOH A O 1 +HETATM 3902 O O . HOH C 3 . ? -7.226 -2.996 -3.484 1.00 49.69 ? 601 HOH A O 1 +HETATM 3903 O O . HOH C 3 . ? -25.651 -7.343 -1.968 1.00 43.75 ? 602 HOH A O 1 +HETATM 3904 O O . HOH C 3 . ? -25.258 -10.355 2.912 1.00 45.80 ? 603 HOH A O 1 +HETATM 3905 O O . HOH C 3 . ? -9.016 -30.993 -4.589 1.00 53.06 ? 604 HOH A O 1 +HETATM 3906 O O . HOH C 3 . ? -16.158 -41.167 -11.974 1.00 36.90 ? 605 HOH A O 1 +HETATM 3907 O O . HOH C 3 . ? -30.668 -34.311 -20.523 1.00 45.62 ? 606 HOH A O 1 +HETATM 3908 O O . HOH C 3 . ? -35.559 -10.340 9.905 1.00 48.93 ? 607 HOH A O 1 +HETATM 3909 O O . HOH C 3 . ? -36.634 -12.592 9.048 1.00 47.51 ? 608 HOH A O 1 +HETATM 3910 O O . HOH C 3 . ? -11.932 -38.111 -36.709 1.00 47.84 ? 609 HOH A O 1 +HETATM 3911 O O . HOH C 3 . ? -11.009 -31.693 -35.097 1.00 39.20 ? 610 HOH A O 1 +HETATM 3912 O O . HOH C 3 . ? -12.904 -34.264 -36.150 1.00 50.99 ? 611 HOH A O 1 +HETATM 3913 O O . HOH C 3 . ? -15.999 -6.767 -34.070 1.00 43.45 ? 612 HOH A O 1 +HETATM 3914 O O . HOH C 3 . ? -6.538 -18.055 -29.790 1.00 44.11 ? 613 HOH A O 1 +HETATM 3915 O O . HOH C 3 . ? -9.863 -22.798 -34.714 1.00 43.76 ? 614 HOH A O 1 +HETATM 3916 O O . HOH C 3 . ? -4.841 -18.209 -14.830 1.00 50.04 ? 615 HOH A O 1 +HETATM 3917 O O . HOH C 3 . ? -35.846 -20.257 -23.491 1.00 50.95 ? 616 HOH A O 1 +HETATM 3918 O O . HOH C 3 . ? -20.991 -53.063 -22.243 1.00 51.80 ? 617 HOH A O 1 +HETATM 3919 O O . HOH C 3 . ? -34.062 -18.286 -5.440 1.00 55.67 ? 618 HOH A O 1 +HETATM 3920 O O . HOH C 3 . ? -35.954 -15.842 -2.290 1.00 61.31 ? 619 HOH A O 1 +HETATM 3921 O O . HOH C 3 . ? -35.513 -10.027 -21.991 1.00 44.73 ? 620 HOH A O 1 +HETATM 3922 O O . HOH C 3 . ? -15.300 -33.360 -35.555 1.00 40.21 ? 621 HOH A O 1 +HETATM 3923 O O . HOH C 3 . ? -2.283 -34.421 -29.731 1.00 53.12 ? 622 HOH A O 1 +HETATM 3924 O O . HOH C 3 . ? -13.995 -52.634 -14.933 1.00 56.52 ? 623 HOH A O 1 +HETATM 3925 O O . HOH C 3 . ? -34.521 -14.336 -21.878 1.00 46.05 ? 624 HOH A O 1 +HETATM 3926 O O . HOH C 3 . ? -19.036 -45.149 -33.859 1.00 50.37 ? 625 HOH A O 1 +HETATM 3927 O O . HOH C 3 . ? -28.238 -16.751 -21.646 1.00 29.37 ? 626 HOH A O 1 +HETATM 3928 O O . HOH C 3 . ? -27.282 -16.995 -23.908 1.00 37.99 ? 627 HOH A O 1 +HETATM 3929 O O . HOH C 3 . ? -8.790 -25.178 -20.257 1.00 49.21 ? 628 HOH A O 1 +HETATM 3930 O O . HOH C 3 . ? -20.229 -18.246 -35.145 1.00 62.80 ? 629 HOH A O 1 +HETATM 3931 O O . HOH C 3 . ? -23.046 4.587 -26.640 1.00 40.01 ? 630 HOH A O 1 +HETATM 3932 O O . HOH C 3 . ? -27.751 -3.804 -30.411 1.00 46.08 ? 631 HOH A O 1 +HETATM 3933 O O . HOH C 3 . ? -32.095 1.957 -10.159 1.00 54.51 ? 632 HOH A O 1 +HETATM 3934 O O . HOH C 3 . ? -1.411 -2.886 -14.256 1.00 49.16 ? 633 HOH A O 1 +HETATM 3935 O O . HOH C 3 . ? -29.806 -6.693 6.884 1.00 44.75 ? 634 HOH A O 1 +HETATM 3936 O O . HOH C 3 . ? -27.840 -4.850 2.869 1.00 49.38 ? 635 HOH A O 1 +HETATM 3937 O O . HOH C 3 . ? -27.764 -15.494 6.346 1.00 57.84 ? 636 HOH A O 1 +HETATM 3938 O O . HOH C 3 . ? -19.739 -50.573 -13.208 1.00 42.06 ? 637 HOH A O 1 +HETATM 3939 O O . HOH C 3 . ? -19.957 -52.761 -15.923 1.00 60.07 ? 638 HOH A O 1 +HETATM 3940 O O . HOH C 3 . ? -35.143 -19.733 -14.723 1.00 56.21 ? 639 HOH A O 1 +HETATM 3941 O O . HOH C 3 . ? -32.824 -18.183 -10.697 1.00 39.95 ? 640 HOH A O 1 +HETATM 3942 O O . HOH C 3 . ? -35.247 -20.042 -19.672 1.00 53.27 ? 641 HOH A O 1 +HETATM 3943 O O . HOH C 3 . ? -17.704 -30.063 -5.613 1.00 57.39 ? 642 HOH A O 1 +HETATM 3944 O O . HOH C 3 . ? -11.981 -25.592 -40.272 1.00 50.32 ? 643 HOH A O 1 +HETATM 3945 O O . HOH C 3 . ? -2.013 -32.008 -26.412 1.00 49.10 ? 644 HOH A O 1 +HETATM 3946 O O . HOH C 3 . ? -27.970 -16.456 -15.466 1.00 28.88 ? 645 HOH A O 1 +HETATM 3947 O O . HOH C 3 . ? -16.689 -13.960 -13.742 1.00 32.36 ? 646 HOH A O 1 +HETATM 3948 O O . HOH C 3 . ? -25.254 -26.125 -9.463 1.00 36.35 ? 647 HOH A O 1 +HETATM 3949 O O . HOH C 3 . ? -18.184 -31.170 -8.675 1.00 38.36 ? 648 HOH A O 1 +HETATM 3950 O O . HOH C 3 . ? -23.750 -22.131 11.988 1.00 66.46 ? 649 HOH A O 1 +HETATM 3951 O O . HOH C 3 . ? -35.613 -19.245 -11.786 1.00 53.26 ? 650 HOH A O 1 +HETATM 3952 O O . HOH C 3 . ? -36.199 -16.024 -5.189 1.00 58.77 ? 651 HOH A O 1 +HETATM 3953 O O . HOH C 3 . ? -5.671 -29.249 -25.590 1.00 44.86 ? 652 HOH A O 1 +HETATM 3954 O O . HOH C 3 . ? -22.892 -41.866 -10.006 1.00 44.27 ? 653 HOH A O 1 +HETATM 3955 O O . HOH C 3 . ? -26.297 -41.765 -12.522 1.00 47.09 ? 654 HOH A O 1 +HETATM 3956 O O . HOH C 3 . ? -13.434 -18.555 -39.758 1.00 50.69 ? 655 HOH A O 1 +HETATM 3957 O O . HOH C 3 . ? -30.879 -12.066 3.371 1.00 49.24 ? 656 HOH A O 1 +HETATM 3958 O O . HOH C 3 . ? -37.893 -20.050 -10.096 1.00 49.42 ? 657 HOH A O 1 +HETATM 3959 O O . HOH C 3 . ? -4.164 -31.932 -24.749 1.00 56.90 ? 658 HOH A O 1 +HETATM 3960 O O . HOH C 3 . ? -28.315 -13.994 -31.692 1.00 62.01 ? 659 HOH A O 1 +HETATM 3961 O O . HOH C 3 . ? 5.768 -33.437 -32.954 1.00 66.31 ? 660 HOH A O 1 +HETATM 3962 O O . HOH C 3 . ? -32.684 -32.606 9.795 1.00 53.24 ? 661 HOH A O 1 +HETATM 3963 O O . HOH C 3 . ? -10.526 -52.495 -24.529 1.00 50.58 ? 662 HOH A O 1 +HETATM 3964 O O . HOH C 3 . ? -15.398 11.610 -26.104 1.00 50.56 ? 663 HOH A O 1 +HETATM 3965 O O . HOH C 3 . ? -7.184 -18.530 -19.059 1.00 53.78 ? 664 HOH A O 1 +HETATM 3966 O O . HOH C 3 . ? -19.534 3.265 -7.404 1.00 63.30 ? 665 HOH A O 1 +HETATM 3967 O O . HOH C 3 . ? -39.825 -15.135 -18.057 1.00 63.48 ? 666 HOH A O 1 +HETATM 3968 O O . HOH C 3 . ? -16.851 -26.674 14.643 1.00 47.97 ? 667 HOH A O 1 +HETATM 3969 O O . HOH C 3 . ? -28.262 -38.912 4.142 1.00 63.07 ? 668 HOH A O 1 +HETATM 3970 O O . HOH C 3 . ? -19.348 -48.555 -32.468 1.00 58.98 ? 669 HOH A O 1 +HETATM 3971 O O . HOH C 3 . ? -38.497 -12.942 -17.355 1.00 49.65 ? 670 HOH A O 1 +HETATM 3972 O O . HOH C 3 . ? -33.762 0.862 -27.233 1.00 64.70 ? 671 HOH A O 1 +HETATM 3973 O O . HOH C 3 . ? -6.084 -52.401 -25.822 1.00 62.61 ? 672 HOH A O 1 +HETATM 3974 O O . HOH C 3 . ? 0.630 -41.764 -17.264 1.00 69.25 ? 673 HOH A O 1 +HETATM 3975 O O . HOH C 3 . ? -10.846 0.565 -26.533 1.00 52.55 ? 674 HOH A O 1 +HETATM 3976 O O . HOH C 3 . ? -22.612 -42.644 3.889 1.00 57.69 ? 675 HOH A O 1 +HETATM 3977 O O . HOH C 3 . ? -21.017 -0.743 -9.230 1.00 53.31 ? 676 HOH A O 1 +HETATM 3978 O O . HOH C 3 . ? -22.287 -34.544 -37.987 1.00 67.01 ? 677 HOH A O 1 +HETATM 3979 O O . HOH C 3 . ? -2.113 -18.728 -0.795 1.00 57.31 ? 678 HOH A O 1 +HETATM 3980 O O . HOH C 3 . ? -27.310 -52.292 -14.240 1.00 60.51 ? 679 HOH A O 1 +HETATM 3981 O O . HOH C 3 . ? -3.267 1.410 -15.236 1.00 65.89 ? 680 HOH A O 1 +HETATM 3982 O O . HOH C 3 . ? -34.295 -28.082 6.668 1.00 54.13 ? 681 HOH A O 1 +HETATM 3983 O O . HOH C 3 . ? -5.158 -25.313 15.874 1.00 64.43 ? 682 HOH A O 1 +HETATM 3984 O O . HOH C 3 . ? -19.821 -29.717 -42.335 1.00 65.19 ? 683 HOH A O 1 +HETATM 3985 O O . HOH C 3 . ? -23.850 -31.175 -33.782 1.00 60.12 ? 684 HOH A O 1 +HETATM 3986 O O . HOH C 3 . ? -19.794 -47.852 -3.982 1.00 62.87 ? 685 HOH A O 1 +HETATM 3987 O O . HOH C 3 . ? -5.089 7.933 -23.195 1.00 52.73 ? 686 HOH A O 1 +HETATM 3988 O O . HOH C 3 . ? -30.338 -1.914 6.398 1.00 56.31 ? 687 HOH A O 1 +HETATM 3989 O O . HOH C 3 . ? -32.690 -41.037 -18.762 1.00 45.90 ? 688 HOH A O 1 +HETATM 3990 O O . HOH C 3 . ? -20.653 -60.013 -24.426 1.00 65.64 ? 689 HOH A O 1 +HETATM 3991 O O . HOH C 3 . ? 3.846 -39.444 -19.337 1.00 62.26 ? 690 HOH A O 1 +HETATM 3992 O O . HOH C 3 . ? -29.812 -10.678 5.288 1.00 54.31 ? 691 HOH A O 1 +HETATM 3993 O O . HOH C 3 . ? -17.978 12.211 -26.409 1.00 54.86 ? 692 HOH A O 1 +HETATM 3994 O O . HOH C 3 . ? -13.422 6.626 -28.473 1.00 68.14 ? 693 HOH A O 1 +HETATM 3995 O O . HOH C 3 . ? -34.577 -31.170 8.345 1.00 62.69 ? 694 HOH A O 1 +HETATM 3996 O O . HOH C 3 . ? 3.635 -42.762 -19.748 1.00 56.19 ? 695 HOH A O 1 +HETATM 3997 O O . HOH C 3 . ? -28.988 -0.516 -3.133 1.00 45.51 ? 696 HOH A O 1 +HETATM 3998 O O . HOH C 3 . ? -12.778 -42.342 -36.153 1.00 53.15 ? 697 HOH A O 1 +HETATM 3999 O O . HOH C 3 . ? -20.646 -32.391 2.944 1.00 50.47 ? 698 HOH A O 1 +# +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.ndb_seq_num +_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 +_pdbx_poly_seq_scheme.hetero +A 1 1 MET 1 22 ? ? ? A . n +A 1 2 ALA 2 23 ? ? ? A . n +A 1 3 LEU 3 24 ? ? ? A . n +A 1 4 TYR 4 25 ? ? ? A . n +A 1 5 GLY 5 26 ? ? ? A . n +A 1 6 THR 6 27 ? ? ? A . n +A 1 7 HIS 7 28 28 HIS HIS A . n +A 1 8 SER 8 29 29 SER SER A . n +A 1 9 HIS 9 30 30 HIS HIS A . n +A 1 10 GLY 10 31 31 GLY GLY A . n +A 1 11 LEU 11 32 32 LEU LEU A . n +A 1 12 PHE 12 33 33 PHE PHE A . n +A 1 13 LYS 13 34 34 LYS LYS A . n +A 1 14 LYS 14 35 35 LYS LYS A . n +A 1 15 LEU 15 36 36 LEU LEU A . n +A 1 16 GLY 16 37 37 GLY GLY A . n +A 1 17 ILE 17 38 38 ILE ILE A . n +A 1 18 PRO 18 39 39 PRO PRO A . n +A 1 19 GLY 19 40 40 GLY GLY A . n +A 1 20 PRO 20 41 41 PRO PRO A . n +A 1 21 THR 21 42 42 THR THR A . n +A 1 22 PRO 22 43 43 PRO PRO A . n +A 1 23 LEU 23 44 44 LEU LEU A . n +A 1 24 PRO 24 45 45 PRO PRO A . n +A 1 25 PHE 25 46 46 PHE PHE A . n +A 1 26 LEU 26 47 47 LEU LEU A . n +A 1 27 GLY 27 48 48 GLY GLY A . n +A 1 28 ASN 28 49 49 ASN ASN A . n +A 1 29 ILE 29 50 50 ILE ILE A . n +A 1 30 LEU 30 51 51 LEU LEU A . n +A 1 31 SER 31 52 52 SER SER A . n +A 1 32 TYR 32 53 53 TYR TYR A . n +A 1 33 HIS 33 54 54 HIS HIS A . n +A 1 34 LYS 34 55 55 LYS LYS A . n +A 1 35 GLY 35 56 56 GLY GLY A . n +A 1 36 PHE 36 57 57 PHE PHE A . n +A 1 37 CYS 37 58 58 CYS CYS A . n +A 1 38 MET 38 59 59 MET MET A . n +A 1 39 PHE 39 60 60 PHE PHE A . n +A 1 40 ASP 40 61 61 ASP ASP A . n +A 1 41 MET 41 62 62 MET MET A . n +A 1 42 GLU 42 63 63 GLU GLU A . n +A 1 43 CYS 43 64 64 CYS CYS A . n +A 1 44 HIS 44 65 65 HIS HIS A . n +A 1 45 LYS 45 66 66 LYS LYS A . n +A 1 46 LYS 46 67 67 LYS LYS A . n +A 1 47 TYR 47 68 68 TYR TYR A . n +A 1 48 GLY 48 69 69 GLY GLY A . n +A 1 49 LYS 49 70 70 LYS LYS A . n +A 1 50 VAL 50 71 71 VAL VAL A . n +A 1 51 TRP 51 72 72 TRP TRP A . n +A 1 52 GLY 52 73 73 GLY GLY A . n +A 1 53 PHE 53 74 74 PHE PHE A . n +A 1 54 TYR 54 75 75 TYR TYR A . n +A 1 55 ASP 55 76 76 ASP ASP A . n +A 1 56 GLY 56 77 77 GLY GLY A . n +A 1 57 GLN 57 78 78 GLN GLN A . n +A 1 58 GLN 58 79 79 GLN GLN A . n +A 1 59 PRO 59 80 80 PRO PRO A . n +A 1 60 VAL 60 81 81 VAL VAL A . n +A 1 61 LEU 61 82 82 LEU LEU A . n +A 1 62 ALA 62 83 83 ALA ALA A . n +A 1 63 ILE 63 84 84 ILE ILE A . n +A 1 64 THR 64 85 85 THR THR A . n +A 1 65 ASP 65 86 86 ASP ASP A . n +A 1 66 PRO 66 87 87 PRO PRO A . n +A 1 67 ASP 67 88 88 ASP ASP A . n +A 1 68 MET 68 89 89 MET MET A . n +A 1 69 ILE 69 90 90 ILE ILE A . n +A 1 70 LYS 70 91 91 LYS LYS A . n +A 1 71 THR 71 92 92 THR THR A . n +A 1 72 VAL 72 93 93 VAL VAL A . n +A 1 73 LEU 73 94 94 LEU LEU A . n +A 1 74 VAL 74 95 95 VAL VAL A . n +A 1 75 LYS 75 96 96 LYS LYS A . n +A 1 76 GLU 76 97 97 GLU GLU A . n +A 1 77 CYS 77 98 98 CYS CYS A . n +A 1 78 TYR 78 99 99 TYR TYR A . n +A 1 79 SER 79 100 100 SER SER A . n +A 1 80 VAL 80 101 101 VAL VAL A . n +A 1 81 PHE 81 102 102 PHE PHE A . n +A 1 82 THR 82 103 103 THR THR A . n +A 1 83 ASN 83 104 104 ASN ASN A . n +A 1 84 ARG 84 105 105 ARG ARG A . n +A 1 85 ARG 85 106 106 ARG ARG A . n +A 1 86 PRO 86 107 107 PRO PRO A . n +A 1 87 PHE 87 108 108 PHE PHE A . n +A 1 88 GLY 88 109 109 GLY GLY A . n +A 1 89 PRO 89 110 110 PRO PRO A . n +A 1 90 VAL 90 111 111 VAL VAL A . n +A 1 91 GLY 91 112 112 GLY GLY A . n +A 1 92 PHE 92 113 113 PHE PHE A . n +A 1 93 MET 93 114 114 MET MET A . n +A 1 94 LYS 94 115 115 LYS LYS A . n +A 1 95 SER 95 116 116 SER SER A . n +A 1 96 ALA 96 117 117 ALA ALA A . n +A 1 97 ILE 97 118 118 ILE ILE A . n +A 1 98 SER 98 119 119 SER SER A . n +A 1 99 ILE 99 120 120 ILE ILE A . n +A 1 100 ALA 100 121 121 ALA ALA A . n +A 1 101 GLU 101 122 122 GLU GLU A . n +A 1 102 ASP 102 123 123 ASP ASP A . n +A 1 103 GLU 103 124 124 GLU GLU A . n +A 1 104 GLU 104 125 125 GLU GLU A . n +A 1 105 TRP 105 126 126 TRP TRP A . n +A 1 106 LYS 106 127 127 LYS LYS A . n +A 1 107 ARG 107 128 128 ARG ARG A . n +A 1 108 LEU 108 129 129 LEU LEU A . n +A 1 109 ARG 109 130 130 ARG ARG A . n +A 1 110 SER 110 131 131 SER SER A . n +A 1 111 LEU 111 132 132 LEU LEU A . n +A 1 112 LEU 112 133 133 LEU LEU A . n +A 1 113 SER 113 134 134 SER SER A . n +A 1 114 PRO 114 135 135 PRO PRO A . n +A 1 115 THR 115 136 136 THR THR A . n +A 1 116 PHE 116 137 137 PHE PHE A . n +A 1 117 THR 117 138 138 THR THR A . n +A 1 118 SER 118 139 139 SER SER A . n +A 1 119 GLY 119 140 140 GLY GLY A . n +A 1 120 LYS 120 141 141 LYS LYS A . n +A 1 121 LEU 121 142 142 LEU LEU A . n +A 1 122 LYS 122 143 143 LYS LYS A . n +A 1 123 GLU 123 144 144 GLU GLU A . n +A 1 124 MET 124 145 145 MET MET A . n +A 1 125 VAL 125 146 146 VAL VAL A . n +A 1 126 PRO 126 147 147 PRO PRO A . n +A 1 127 ILE 127 148 148 ILE ILE A . n +A 1 128 ILE 128 149 149 ILE ILE A . n +A 1 129 ALA 129 150 150 ALA ALA A . n +A 1 130 GLN 130 151 151 GLN GLN A . n +A 1 131 TYR 131 152 152 TYR TYR A . n +A 1 132 GLY 132 153 153 GLY GLY A . n +A 1 133 ASP 133 154 154 ASP ASP A . n +A 1 134 VAL 134 155 155 VAL VAL A . n +A 1 135 LEU 135 156 156 LEU LEU A . n +A 1 136 VAL 136 157 157 VAL VAL A . n +A 1 137 ARG 137 158 158 ARG ARG A . n +A 1 138 ASN 138 159 159 ASN ASN A . n +A 1 139 LEU 139 160 160 LEU LEU A . n +A 1 140 ARG 140 161 161 ARG ARG A . n +A 1 141 ARG 141 162 162 ARG ARG A . n +A 1 142 GLU 142 163 163 GLU GLU A . n +A 1 143 ALA 143 164 164 ALA ALA A . n +A 1 144 GLU 144 165 165 GLU GLU A . n +A 1 145 THR 145 166 166 THR THR A . n +A 1 146 GLY 146 167 167 GLY GLY A . n +A 1 147 LYS 147 168 168 LYS LYS A . n +A 1 148 PRO 148 169 169 PRO PRO A . n +A 1 149 VAL 149 170 170 VAL VAL A . n +A 1 150 THR 150 171 171 THR THR A . n +A 1 151 LEU 151 172 172 LEU LEU A . n +A 1 152 LYS 152 173 173 LYS LYS A . n +A 1 153 ASP 153 174 174 ASP ASP A . n +A 1 154 VAL 154 175 175 VAL VAL A . n +A 1 155 PHE 155 176 176 PHE PHE A . n +A 1 156 GLY 156 177 177 GLY GLY A . n +A 1 157 ALA 157 178 178 ALA ALA A . n +A 1 158 TYR 158 179 179 TYR TYR A . n +A 1 159 SER 159 180 180 SER SER A . n +A 1 160 MET 160 181 181 MET MET A . n +A 1 161 ASP 161 182 182 ASP ASP A . n +A 1 162 VAL 162 183 183 VAL VAL A . n +A 1 163 ILE 163 184 184 ILE ILE A . n +A 1 164 THR 164 185 185 THR THR A . n +A 1 165 SER 165 186 186 SER SER A . n +A 1 166 THR 166 187 187 THR THR A . n +A 1 167 SER 167 188 188 SER SER A . n +A 1 168 PHE 168 189 189 PHE PHE A . n +A 1 169 GLY 169 190 190 GLY GLY A . n +A 1 170 VAL 170 191 191 VAL VAL A . n +A 1 171 ASN 171 192 192 ASN ASN A . n +A 1 172 ILE 172 193 193 ILE ILE A . n +A 1 173 ASP 173 194 194 ASP ASP A . n +A 1 174 SER 174 195 195 SER SER A . n +A 1 175 LEU 175 196 196 LEU LEU A . n +A 1 176 ASN 176 197 197 ASN ASN A . n +A 1 177 ASN 177 198 198 ASN ASN A . n +A 1 178 PRO 178 199 199 PRO PRO A . n +A 1 179 GLN 179 200 200 GLN GLN A . n +A 1 180 ASP 180 201 201 ASP ASP A . n +A 1 181 PRO 181 202 202 PRO PRO A . n +A 1 182 PHE 182 203 203 PHE PHE A . n +A 1 183 VAL 183 204 204 VAL VAL A . n +A 1 184 GLU 184 205 205 GLU GLU A . n +A 1 185 ASN 185 206 206 ASN ASN A . n +A 1 186 THR 186 207 207 THR THR A . n +A 1 187 LYS 187 208 208 LYS LYS A . n +A 1 188 LYS 188 209 209 LYS LYS A . n +A 1 189 LEU 189 210 210 LEU LEU A . n +A 1 190 LEU 190 211 211 LEU LEU A . n +A 1 191 ARG 191 212 212 ARG ARG A . n +A 1 192 PHE 192 213 213 PHE PHE A . n +A 1 193 ASP 193 214 214 ASP ASP A . n +A 1 194 PHE 194 215 215 PHE PHE A . n +A 1 195 LEU 195 216 216 LEU LEU A . n +A 1 196 ASP 196 217 217 ASP ASP A . n +A 1 197 PRO 197 218 218 PRO PRO A . n +A 1 198 PHE 198 219 219 PHE PHE A . n +A 1 199 PHE 199 220 220 PHE PHE A . n +A 1 200 LEU 200 221 221 LEU LEU A . n +A 1 201 SER 201 222 222 SER SER A . n +A 1 202 ILE 202 223 223 ILE ILE A . n +A 1 203 THR 203 224 224 THR THR A . n +A 1 204 VAL 204 225 225 VAL VAL A . n +A 1 205 PHE 205 226 226 PHE PHE A . n +A 1 206 PRO 206 227 227 PRO PRO A . n +A 1 207 PHE 207 228 228 PHE PHE A . n +A 1 208 LEU 208 229 229 LEU LEU A . n +A 1 209 ILE 209 230 230 ILE ILE A . n +A 1 210 PRO 210 231 231 PRO PRO A . n +A 1 211 ILE 211 232 232 ILE ILE A . n +A 1 212 LEU 212 233 233 LEU LEU A . n +A 1 213 GLU 213 234 234 GLU GLU A . n +A 1 214 VAL 214 235 235 VAL VAL A . n +A 1 215 LEU 215 236 236 LEU LEU A . n +A 1 216 ASN 216 237 237 ASN ASN A . n +A 1 217 ILE 217 238 238 ILE ILE A . n +A 1 218 CYS 218 239 239 CYS CYS A . n +A 1 219 VAL 219 240 240 VAL VAL A . n +A 1 220 PHE 220 241 241 PHE PHE A . n +A 1 221 PRO 221 242 242 PRO PRO A . n +A 1 222 ARG 222 243 243 ARG ARG A . n +A 1 223 GLU 223 244 244 GLU GLU A . n +A 1 224 VAL 224 245 245 VAL VAL A . n +A 1 225 THR 225 246 246 THR THR A . n +A 1 226 ASN 226 247 247 ASN ASN A . n +A 1 227 PHE 227 248 248 PHE PHE A . n +A 1 228 LEU 228 249 249 LEU LEU A . n +A 1 229 ARG 229 250 250 ARG ARG A . n +A 1 230 LYS 230 251 251 LYS LYS A . n +A 1 231 SER 231 252 252 SER SER A . n +A 1 232 VAL 232 253 253 VAL VAL A . n +A 1 233 LYS 233 254 254 LYS LYS A . n +A 1 234 ARG 234 255 255 ARG ARG A . n +A 1 235 MET 235 256 256 MET MET A . n +A 1 236 LYS 236 257 257 LYS LYS A . n +A 1 237 GLU 237 258 258 GLU GLU A . n +A 1 238 SER 238 259 259 SER SER A . n +A 1 239 ARG 239 260 260 ARG ARG A . n +A 1 240 LEU 240 261 261 LEU LEU A . n +A 1 241 GLU 241 262 262 GLU GLU A . n +A 1 242 ASP 242 263 263 ASP ASP A . n +A 1 243 THR 243 264 264 THR THR A . n +A 1 244 GLN 244 265 265 GLN GLN A . n +A 1 245 LYS 245 266 266 LYS LYS A . n +A 1 246 HIS 246 267 267 HIS HIS A . n +A 1 247 ARG 247 268 268 ARG ARG A . n +A 1 248 VAL 248 269 269 VAL VAL A . n +A 1 249 ASP 249 270 270 ASP ASP A . n +A 1 250 PHE 250 271 271 PHE PHE A . n +A 1 251 LEU 251 272 272 LEU LEU A . n +A 1 252 GLN 252 273 273 GLN GLN A . n +A 1 253 LEU 253 274 274 LEU LEU A . n +A 1 254 MET 254 275 275 MET MET A . n +A 1 255 ILE 255 276 276 ILE ILE A . n +A 1 256 ASP 256 277 277 ASP ASP A . n +A 1 257 SER 257 278 278 SER SER A . n +A 1 258 GLN 258 279 279 GLN GLN A . n +A 1 259 ASN 259 280 280 ASN ASN A . n +A 1 260 SER 260 281 281 SER SER A . n +A 1 261 LYS 261 282 ? ? ? A . n +A 1 262 GLU 262 283 ? ? ? A . n +A 1 263 THR 263 284 ? ? ? A . n +A 1 264 GLU 264 285 ? ? ? A . n +A 1 265 SER 265 286 286 SER SER A . n +A 1 266 HIS 266 287 287 HIS HIS A . n +A 1 267 LYS 267 288 288 LYS LYS A . n +A 1 268 ALA 268 289 289 ALA ALA A . n +A 1 269 LEU 269 290 290 LEU LEU A . n +A 1 270 SER 270 291 291 SER SER A . n +A 1 271 ASP 271 292 292 ASP ASP A . n +A 1 272 LEU 272 293 293 LEU LEU A . n +A 1 273 GLU 273 294 294 GLU GLU A . n +A 1 274 LEU 274 295 295 LEU LEU A . n +A 1 275 VAL 275 296 296 VAL VAL A . n +A 1 276 ALA 276 297 297 ALA ALA A . n +A 1 277 GLN 277 298 298 GLN GLN A . n +A 1 278 SER 278 299 299 SER SER A . n +A 1 279 ILE 279 300 300 ILE ILE A . n +A 1 280 ILE 280 301 301 ILE ILE A . n +A 1 281 PHE 281 302 302 PHE PHE A . n +A 1 282 ILE 282 303 303 ILE ILE A . n +A 1 283 PHE 283 304 304 PHE PHE A . n +A 1 284 ALA 284 305 305 ALA ALA A . n +A 1 285 GLY 285 306 306 GLY GLY A . n +A 1 286 TYR 286 307 307 TYR TYR A . n +A 1 287 GLU 287 308 308 GLU GLU A . n +A 1 288 THR 288 309 309 THR THR A . n +A 1 289 THR 289 310 310 THR THR A . n +A 1 290 SER 290 311 311 SER SER A . n +A 1 291 SER 291 312 312 SER SER A . n +A 1 292 VAL 292 313 313 VAL VAL A . n +A 1 293 LEU 293 314 314 LEU LEU A . n +A 1 294 SER 294 315 315 SER SER A . n +A 1 295 PHE 295 316 316 PHE PHE A . n +A 1 296 ILE 296 317 317 ILE ILE A . n +A 1 297 MET 297 318 318 MET MET A . n +A 1 298 TYR 298 319 319 TYR TYR A . n +A 1 299 GLU 299 320 320 GLU GLU A . n +A 1 300 LEU 300 321 321 LEU LEU A . n +A 1 301 ALA 301 322 322 ALA ALA A . n +A 1 302 THR 302 323 323 THR THR A . n +A 1 303 HIS 303 324 324 HIS HIS A . n +A 1 304 PRO 304 325 325 PRO PRO A . n +A 1 305 ASP 305 326 326 ASP ASP A . n +A 1 306 VAL 306 327 327 VAL VAL A . n +A 1 307 GLN 307 328 328 GLN GLN A . n +A 1 308 GLN 308 329 329 GLN GLN A . n +A 1 309 LYS 309 330 330 LYS LYS A . n +A 1 310 LEU 310 331 331 LEU LEU A . n +A 1 311 GLN 311 332 332 GLN GLN A . n +A 1 312 GLU 312 333 333 GLU GLU A . n +A 1 313 GLU 313 334 334 GLU GLU A . n +A 1 314 ILE 314 335 335 ILE ILE A . n +A 1 315 ASP 315 336 336 ASP ASP A . n +A 1 316 ALA 316 337 337 ALA ALA A . n +A 1 317 VAL 317 338 338 VAL VAL A . n +A 1 318 LEU 318 339 339 LEU LEU A . n +A 1 319 PRO 319 340 340 PRO PRO A . n +A 1 320 ASN 320 341 341 ASN ASN A . n +A 1 321 LYS 321 342 342 LYS LYS A . n +A 1 322 ALA 322 343 343 ALA ALA A . n +A 1 323 PRO 323 344 344 PRO PRO A . n +A 1 324 PRO 324 345 345 PRO PRO A . n +A 1 325 THR 325 346 346 THR THR A . n +A 1 326 TYR 326 347 347 TYR TYR A . n +A 1 327 ASP 327 348 348 ASP ASP A . n +A 1 328 THR 328 349 349 THR THR A . n +A 1 329 VAL 329 350 350 VAL VAL A . n +A 1 330 LEU 330 351 351 LEU LEU A . n +A 1 331 GLN 331 352 352 GLN GLN A . n +A 1 332 MET 332 353 353 MET MET A . n +A 1 333 GLU 333 354 354 GLU GLU A . n +A 1 334 TYR 334 355 355 TYR TYR A . n +A 1 335 LEU 335 356 356 LEU LEU A . n +A 1 336 ASP 336 357 357 ASP ASP A . n +A 1 337 MET 337 358 358 MET MET A . n +A 1 338 VAL 338 359 359 VAL VAL A . n +A 1 339 VAL 339 360 360 VAL VAL A . n +A 1 340 ASN 340 361 361 ASN ASN A . n +A 1 341 GLU 341 362 362 GLU GLU A . n +A 1 342 THR 342 363 363 THR THR A . n +A 1 343 LEU 343 364 364 LEU LEU A . n +A 1 344 ARG 344 365 365 ARG ARG A . n +A 1 345 LEU 345 366 366 LEU LEU A . n +A 1 346 PHE 346 367 367 PHE PHE A . n +A 1 347 PRO 347 368 368 PRO PRO A . n +A 1 348 ILE 348 369 369 ILE ILE A . n +A 1 349 ALA 349 370 370 ALA ALA A . n +A 1 350 MET 350 371 371 MET MET A . n +A 1 351 ARG 351 372 372 ARG ARG A . n +A 1 352 LEU 352 373 373 LEU LEU A . n +A 1 353 GLU 353 374 374 GLU GLU A . n +A 1 354 ARG 354 375 375 ARG ARG A . n +A 1 355 VAL 355 376 376 VAL VAL A . n +A 1 356 CYS 356 377 377 CYS CYS A . n +A 1 357 LYS 357 378 378 LYS LYS A . n +A 1 358 LYS 358 379 379 LYS LYS A . n +A 1 359 ASP 359 380 380 ASP ASP A . n +A 1 360 VAL 360 381 381 VAL VAL A . n +A 1 361 GLU 361 382 382 GLU GLU A . n +A 1 362 ILE 362 383 383 ILE ILE A . n +A 1 363 ASN 363 384 384 ASN ASN A . n +A 1 364 GLY 364 385 385 GLY GLY A . n +A 1 365 MET 365 386 386 MET MET A . n +A 1 366 PHE 366 387 387 PHE PHE A . n +A 1 367 ILE 367 388 388 ILE ILE A . n +A 1 368 PRO 368 389 389 PRO PRO A . n +A 1 369 LYS 369 390 390 LYS LYS A . n +A 1 370 GLY 370 391 391 GLY GLY A . n +A 1 371 VAL 371 392 392 VAL VAL A . n +A 1 372 VAL 372 393 393 VAL VAL A . n +A 1 373 VAL 373 394 394 VAL VAL A . n +A 1 374 MET 374 395 395 MET MET A . n +A 1 375 ILE 375 396 396 ILE ILE A . n +A 1 376 PRO 376 397 397 PRO PRO A . n +A 1 377 SER 377 398 398 SER SER A . n +A 1 378 TYR 378 399 399 TYR TYR A . n +A 1 379 ALA 379 400 400 ALA ALA A . n +A 1 380 LEU 380 401 401 LEU LEU A . n +A 1 381 HIS 381 402 402 HIS HIS A . n +A 1 382 ARG 382 403 403 ARG ARG A . n +A 1 383 ASP 383 404 404 ASP ASP A . n +A 1 384 PRO 384 405 405 PRO PRO A . n +A 1 385 LYS 385 406 406 LYS LYS A . n +A 1 386 TYR 386 407 407 TYR TYR A . n +A 1 387 TRP 387 408 408 TRP TRP A . n +A 1 388 THR 388 409 409 THR THR A . n +A 1 389 GLU 389 410 410 GLU GLU A . n +A 1 390 PRO 390 411 411 PRO PRO A . n +A 1 391 GLU 391 412 412 GLU GLU A . n +A 1 392 LYS 392 413 413 LYS LYS A . n +A 1 393 PHE 393 414 414 PHE PHE A . n +A 1 394 LEU 394 415 415 LEU LEU A . n +A 1 395 PRO 395 416 416 PRO PRO A . n +A 1 396 GLU 396 417 417 GLU GLU A . n +A 1 397 ARG 397 418 418 ARG ARG A . n +A 1 398 PHE 398 419 419 PHE PHE A . n +A 1 399 SER 399 420 420 SER SER A . n +A 1 400 LYS 400 421 421 LYS LYS A . n +A 1 401 LYS 401 422 422 LYS LYS A . n +A 1 402 ASN 402 423 423 ASN ASN A . n +A 1 403 LYS 403 424 424 LYS LYS A . n +A 1 404 ASP 404 425 425 ASP ASP A . n +A 1 405 ASN 405 426 426 ASN ASN A . n +A 1 406 ILE 406 427 427 ILE ILE A . n +A 1 407 ASP 407 428 428 ASP ASP A . n +A 1 408 PRO 408 429 429 PRO PRO A . n +A 1 409 TYR 409 430 430 TYR TYR A . n +A 1 410 ILE 410 431 431 ILE ILE A . n +A 1 411 TYR 411 432 432 TYR TYR A . n +A 1 412 THR 412 433 433 THR THR A . n +A 1 413 PRO 413 434 434 PRO PRO A . n +A 1 414 PHE 414 435 435 PHE PHE A . n +A 1 415 GLY 415 436 436 GLY GLY A . n +A 1 416 SER 416 437 437 SER SER A . n +A 1 417 GLY 417 438 438 GLY GLY A . n +A 1 418 PRO 418 439 439 PRO PRO A . n +A 1 419 ARG 419 440 440 ARG ARG A . n +A 1 420 ASN 420 441 441 ASN ASN A . n +A 1 421 CYS 421 442 442 CYS CYS A . n +A 1 422 ILE 422 443 443 ILE ILE A . n +A 1 423 GLY 423 444 444 GLY GLY A . n +A 1 424 MET 424 445 445 MET MET A . n +A 1 425 ARG 425 446 446 ARG ARG A . n +A 1 426 PHE 426 447 447 PHE PHE A . n +A 1 427 ALA 427 448 448 ALA ALA A . n +A 1 428 LEU 428 449 449 LEU LEU A . n +A 1 429 MET 429 450 450 MET MET A . n +A 1 430 ASN 430 451 451 ASN ASN A . n +A 1 431 MET 431 452 452 MET MET A . n +A 1 432 LYS 432 453 453 LYS LYS A . n +A 1 433 LEU 433 454 454 LEU LEU A . n +A 1 434 ALA 434 455 455 ALA ALA A . n +A 1 435 LEU 435 456 456 LEU LEU A . n +A 1 436 ILE 436 457 457 ILE ILE A . n +A 1 437 ARG 437 458 458 ARG ARG A . n +A 1 438 VAL 438 459 459 VAL VAL A . n +A 1 439 LEU 439 460 460 LEU LEU A . n +A 1 440 GLN 440 461 461 GLN GLN A . n +A 1 441 ASN 441 462 462 ASN ASN A . n +A 1 442 PHE 442 463 463 PHE PHE A . n +A 1 443 SER 443 464 464 SER SER A . n +A 1 444 PHE 444 465 465 PHE PHE A . n +A 1 445 LYS 445 466 466 LYS LYS A . n +A 1 446 PRO 446 467 467 PRO PRO A . n +A 1 447 CYS 447 468 468 CYS CYS A . n +A 1 448 LYS 448 469 469 LYS LYS A . n +A 1 449 GLU 449 470 470 GLU GLU A . n +A 1 450 THR 450 471 471 THR THR A . n +A 1 451 GLN 451 472 472 GLN GLN A . n +A 1 452 ILE 452 473 473 ILE ILE A . n +A 1 453 PRO 453 474 474 PRO PRO A . n +A 1 454 LEU 454 475 475 LEU LEU A . n +A 1 455 LYS 455 476 476 LYS LYS A . n +A 1 456 LEU 456 477 477 LEU LEU A . n +A 1 457 SER 457 478 478 SER SER A . n +A 1 458 LEU 458 479 479 LEU LEU A . n +A 1 459 GLY 459 480 480 GLY GLY A . n +A 1 460 GLY 460 481 481 GLY GLY A . n +A 1 461 LEU 461 482 482 LEU LEU A . n +A 1 462 LEU 462 483 483 LEU LEU A . n +A 1 463 GLN 463 484 484 GLN GLN A . n +A 1 464 PRO 464 485 485 PRO PRO A . n +A 1 465 GLU 465 486 486 GLU GLU A . n +A 1 466 LYS 466 487 487 LYS LYS A . n +A 1 467 PRO 467 488 488 PRO PRO A . n +A 1 468 VAL 468 489 489 VAL VAL A . n +A 1 469 VAL 469 490 490 VAL VAL A . n +A 1 470 LEU 470 491 491 LEU LEU A . n +A 1 471 LYS 471 492 492 LYS LYS A . n +A 1 472 VAL 472 493 493 VAL VAL A . n +A 1 473 GLU 473 494 494 GLU GLU A . n +A 1 474 SER 474 495 495 SER SER A . n +A 1 475 ARG 475 496 496 ARG ARG A . n +A 1 476 ASP 476 497 497 ASP ASP A . n +A 1 477 GLY 477 498 498 GLY GLY A . n +A 1 478 THR 478 499 499 THR THR A . n +A 1 479 VAL 479 500 ? ? ? A . n +A 1 480 SER 480 501 ? ? ? A . n +A 1 481 GLY 481 502 ? ? ? A . n +A 1 482 ALA 482 503 ? ? ? A . n +A 1 483 HIS 483 504 ? ? ? A . n +A 1 484 HIS 484 505 ? ? ? A . n +A 1 485 HIS 485 506 ? ? ? A . n +A 1 486 HIS 486 507 ? ? ? A . n +# +loop_ +_pdbx_struct_assembly.id +_pdbx_struct_assembly.details +_pdbx_struct_assembly.method_details +_pdbx_struct_assembly.oligomeric_details +_pdbx_struct_assembly.oligomeric_count +1 author_defined_assembly ? monomeric 1 +2 software_defined_assembly PISA,PQS tetrameric 4 +# +loop_ +_pdbx_struct_assembly_gen.assembly_id +_pdbx_struct_assembly_gen.oper_expression +_pdbx_struct_assembly_gen.asym_id_list +1 1 A,B,C +2 1,2,3,4 A,B,C +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +2 'ABSA (A^2)' 9880 ? +2 MORE -152 ? +2 'SSA (A^2)' 75980 ? +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[3] +1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +2 'crystal symmetry operation' 2_455 -x-1,-y,z -1.0000000000 0.0000000000 0.0000000000 -77.1530000000 0.0000000000 -1.0000000000 +0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +3 'crystal symmetry operation' 3_455 -x-1,y,-z -1.0000000000 0.0000000000 0.0000000000 -77.1530000000 0.0000000000 1.0000000000 +0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 +4 'crystal symmetry operation' 4_555 x,-y,-z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 +0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 +# +loop_ +_pdbx_struct_conn_angle.id +_pdbx_struct_conn_angle.ptnr1_label_atom_id +_pdbx_struct_conn_angle.ptnr1_label_alt_id +_pdbx_struct_conn_angle.ptnr1_label_asym_id +_pdbx_struct_conn_angle.ptnr1_label_comp_id +_pdbx_struct_conn_angle.ptnr1_label_seq_id +_pdbx_struct_conn_angle.ptnr1_auth_atom_id +_pdbx_struct_conn_angle.ptnr1_auth_asym_id +_pdbx_struct_conn_angle.ptnr1_auth_comp_id +_pdbx_struct_conn_angle.ptnr1_auth_seq_id +_pdbx_struct_conn_angle.ptnr1_PDB_ins_code +_pdbx_struct_conn_angle.ptnr1_symmetry +_pdbx_struct_conn_angle.ptnr2_label_atom_id +_pdbx_struct_conn_angle.ptnr2_label_alt_id +_pdbx_struct_conn_angle.ptnr2_label_asym_id +_pdbx_struct_conn_angle.ptnr2_label_comp_id +_pdbx_struct_conn_angle.ptnr2_label_seq_id +_pdbx_struct_conn_angle.ptnr2_auth_atom_id +_pdbx_struct_conn_angle.ptnr2_auth_asym_id +_pdbx_struct_conn_angle.ptnr2_auth_comp_id +_pdbx_struct_conn_angle.ptnr2_auth_seq_id +_pdbx_struct_conn_angle.ptnr2_PDB_ins_code +_pdbx_struct_conn_angle.ptnr2_symmetry +_pdbx_struct_conn_angle.ptnr3_label_atom_id +_pdbx_struct_conn_angle.ptnr3_label_alt_id +_pdbx_struct_conn_angle.ptnr3_label_asym_id +_pdbx_struct_conn_angle.ptnr3_label_comp_id +_pdbx_struct_conn_angle.ptnr3_label_seq_id +_pdbx_struct_conn_angle.ptnr3_auth_atom_id +_pdbx_struct_conn_angle.ptnr3_auth_asym_id +_pdbx_struct_conn_angle.ptnr3_auth_comp_id +_pdbx_struct_conn_angle.ptnr3_auth_seq_id +_pdbx_struct_conn_angle.ptnr3_PDB_ins_code +_pdbx_struct_conn_angle.ptnr3_symmetry +_pdbx_struct_conn_angle.value +_pdbx_struct_conn_angle.value_esd +1 SG ? A CYS 421 ? A CYS 442 ? 1_555 FE ? B HEM . ? A HEM 508 ? 1_555 NA ? B HEM . ? A HEM 508 ? 1_555 97.3 ? +2 SG ? A CYS 421 ? A CYS 442 ? 1_555 FE ? B HEM . ? A HEM 508 ? 1_555 NB ? B HEM . ? A HEM 508 ? 1_555 90.9 ? +3 NA ? B HEM . ? A HEM 508 ? 1_555 FE ? B HEM . ? A HEM 508 ? 1_555 NB ? B HEM . ? A HEM 508 ? 1_555 88.7 ? +4 SG ? A CYS 421 ? A CYS 442 ? 1_555 FE ? B HEM . ? A HEM 508 ? 1_555 NC ? B HEM . ? A HEM 508 ? 1_555 89.6 ? +5 NA ? B HEM . ? A HEM 508 ? 1_555 FE ? B HEM . ? A HEM 508 ? 1_555 NC ? B HEM . ? A HEM 508 ? 1_555 173.1 ? +6 NB ? B HEM . ? A HEM 508 ? 1_555 FE ? B HEM . ? A HEM 508 ? 1_555 NC ? B HEM . ? A HEM 508 ? 1_555 91.2 ? +7 SG ? A CYS 421 ? A CYS 442 ? 1_555 FE ? B HEM . ? A HEM 508 ? 1_555 ND ? B HEM . ? A HEM 508 ? 1_555 95.4 ? +8 NA ? B HEM . ? A HEM 508 ? 1_555 FE ? B HEM . ? A HEM 508 ? 1_555 ND ? B HEM . ? A HEM 508 ? 1_555 90.0 ? +9 NB ? B HEM . ? A HEM 508 ? 1_555 FE ? B HEM . ? A HEM 508 ? 1_555 ND ? B HEM . ? A HEM 508 ? 1_555 173.7 ? +10 NC ? B HEM . ? A HEM 508 ? 1_555 FE ? B HEM . ? A HEM 508 ? 1_555 ND ? B HEM . ? A HEM 508 ? 1_555 89.3 ? +11 SG ? A CYS 421 ? A CYS 442 ? 1_555 FE ? B HEM . ? A HEM 508 ? 1_555 O ? C HOH . ? A HOH 509 ? 1_555 170.6 ? +12 NA ? B HEM . ? A HEM 508 ? 1_555 FE ? B HEM . ? A HEM 508 ? 1_555 O ? C HOH . ? A HOH 509 ? 1_555 86.2 ? +13 NB ? B HEM . ? A HEM 508 ? 1_555 FE ? B HEM . ? A HEM 508 ? 1_555 O ? C HOH . ? A HOH 509 ? 1_555 80.5 ? +14 NC ? B HEM . ? A HEM 508 ? 1_555 FE ? B HEM . ? A HEM 508 ? 1_555 O ? C HOH . ? A HOH 509 ? 1_555 86.9 ? +15 ND ? B HEM . ? A HEM 508 ? 1_555 FE ? B HEM . ? A HEM 508 ? 1_555 O ? C HOH . ? A HOH 509 ? 1_555 93.3 ? +# +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 2004-07-27 +2 'Structure model' 1 1 2007-10-16 +3 'Structure model' 1 2 2011-07-13 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +# +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' 'Version format compliance' +2 3 'Structure model' 'Derived calculations' +3 3 'Structure model' 'Version format compliance' +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +MOSFLM 'data reduction' . ? 1 +SCALA 'data scaling' . ? 2 +CNS refinement . ? 3 +CCP4 'data scaling' '(SCALA)' ? 4 +CNS phasing . ? 5 +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 HIS A 30 ? ? -67.73 7.23 +2 1 PHE A 46 ? ? 66.13 -52.65 +3 1 VAL A 95 ? ? -111.42 -74.30 +4 1 PHE A 102 ? ? -106.26 60.41 +5 1 ASP A 123 ? ? 34.28 -136.72 +6 1 GLU A 165 ? ? -37.37 -36.35 +7 1 SER A 188 ? ? -152.97 71.23 +8 1 PHE A 189 ? ? 79.53 131.47 +9 1 SER A 195 ? ? -30.30 -39.61 +10 1 GLU A 258 ? ? -110.49 -92.69 +11 1 SER A 259 ? ? -11.02 -60.95 +12 1 ARG A 260 ? ? -70.34 -110.48 +13 1 LEU A 261 ? ? -50.15 4.58 +14 1 GLU A 262 ? ? -84.77 30.25 +15 1 THR A 264 ? ? 74.38 -161.03 +16 1 GLN A 265 ? ? 50.95 89.39 +17 1 LYS A 266 ? ? 93.05 110.59 +18 1 VAL A 269 ? ? -43.38 71.20 +19 1 ASN A 280 ? ? -66.92 75.45 +20 1 ALA A 289 ? ? 75.99 86.57 +21 1 ASN A 341 ? ? 45.12 80.36 +22 1 LYS A 342 ? ? 35.85 40.54 +23 1 MET A 371 ? ? 67.83 -48.81 +24 1 ASN A 384 ? ? 26.80 63.29 +25 1 LYS A 406 ? ? -48.84 -19.80 +26 1 GLU A 410 ? ? 41.25 72.40 +27 1 LYS A 422 ? ? -99.10 57.80 +28 1 ASN A 423 ? ? -170.35 -27.55 +29 1 ASN A 462 ? ? -150.51 -25.02 +30 1 ASP A 497 ? ? 69.00 76.55 +# +_pdbx_validate_planes.id 1 +_pdbx_validate_planes.PDB_model_num 1 +_pdbx_validate_planes.auth_comp_id TYR +_pdbx_validate_planes.auth_asym_id A +_pdbx_validate_planes.auth_seq_id 152 +_pdbx_validate_planes.PDB_ins_code ? +_pdbx_validate_planes.label_alt_id ? +_pdbx_validate_planes.rmsd 0.070 +_pdbx_validate_planes.type 'SIDE CHAIN' +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 1 Y 1 A MET 22 ? A MET 1 +2 1 Y 1 A ALA 23 ? A ALA 2 +3 1 Y 1 A LEU 24 ? A LEU 3 +4 1 Y 1 A TYR 25 ? A TYR 4 +5 1 Y 1 A GLY 26 ? A GLY 5 +6 1 Y 1 A THR 27 ? A THR 6 +7 1 Y 1 A LYS 282 ? A LYS 261 +8 1 Y 1 A GLU 283 ? A GLU 262 +9 1 Y 1 A THR 284 ? A THR 263 +10 1 Y 1 A GLU 285 ? A GLU 264 +11 1 Y 1 A VAL 500 ? A VAL 479 +12 1 Y 1 A SER 501 ? A SER 480 +13 1 Y 1 A GLY 502 ? A GLY 481 +14 1 Y 1 A ALA 503 ? A ALA 482 +15 1 Y 1 A HIS 504 ? A HIS 483 +16 1 Y 1 A HIS 505 ? A HIS 484 +17 1 Y 1 A HIS 506 ? A HIS 485 +18 1 Y 1 A HIS 507 ? A HIS 486 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +2 'PROTOPORPHYRIN IX CONTAINING FE' HEM +3 water HOH +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 HEM 1 508 500 HEM HEM A . +C 3 HOH 1 509 1 HOH HOH A . +C 3 HOH 2 510 2 HOH HOH A . +C 3 HOH 3 511 3 HOH HOH A . +C 3 HOH 4 512 4 HOH HOH A . +C 3 HOH 5 513 5 HOH HOH A . +C 3 HOH 6 514 6 HOH HOH A . +C 3 HOH 7 515 7 HOH HOH A . +C 3 HOH 8 516 8 HOH HOH A . +C 3 HOH 9 517 9 HOH HOH A . +C 3 HOH 10 518 10 HOH HOH A . +C 3 HOH 11 519 11 HOH HOH A . +C 3 HOH 12 520 12 HOH HOH A . +C 3 HOH 13 521 13 HOH HOH A . +C 3 HOH 14 522 14 HOH HOH A . +C 3 HOH 15 523 15 HOH HOH A . +C 3 HOH 16 524 16 HOH HOH A . +C 3 HOH 17 525 17 HOH HOH A . +C 3 HOH 18 526 18 HOH HOH A . +C 3 HOH 19 527 19 HOH HOH A . +C 3 HOH 20 528 20 HOH HOH A . +C 3 HOH 21 529 21 HOH HOH A . +C 3 HOH 22 530 22 HOH HOH A . +C 3 HOH 23 531 23 HOH HOH A . +C 3 HOH 24 532 24 HOH HOH A . +C 3 HOH 25 533 25 HOH HOH A . +C 3 HOH 26 534 26 HOH HOH A . +C 3 HOH 27 535 27 HOH HOH A . +C 3 HOH 28 536 28 HOH HOH A . +C 3 HOH 29 537 29 HOH HOH A . +C 3 HOH 30 538 30 HOH HOH A . +C 3 HOH 31 539 31 HOH HOH A . +C 3 HOH 32 540 32 HOH HOH A . +C 3 HOH 33 541 33 HOH HOH A . +C 3 HOH 34 542 34 HOH HOH A . +C 3 HOH 35 543 35 HOH HOH A . +C 3 HOH 36 544 36 HOH HOH A . +C 3 HOH 37 545 37 HOH HOH A . +C 3 HOH 38 546 38 HOH HOH A . +C 3 HOH 39 547 39 HOH HOH A . +C 3 HOH 40 548 40 HOH HOH A . +C 3 HOH 41 549 41 HOH HOH A . +C 3 HOH 42 550 42 HOH HOH A . +C 3 HOH 43 551 43 HOH HOH A . +C 3 HOH 44 552 44 HOH HOH A . +C 3 HOH 45 553 45 HOH HOH A . +C 3 HOH 46 554 46 HOH HOH A . +C 3 HOH 47 555 47 HOH HOH A . +C 3 HOH 48 556 48 HOH HOH A . +C 3 HOH 49 557 49 HOH HOH A . +C 3 HOH 50 558 50 HOH HOH A . +C 3 HOH 51 559 51 HOH HOH A . +C 3 HOH 52 560 52 HOH HOH A . +C 3 HOH 53 561 53 HOH HOH A . +C 3 HOH 54 562 54 HOH HOH A . +C 3 HOH 55 563 55 HOH HOH A . +C 3 HOH 56 564 56 HOH HOH A . +C 3 HOH 57 565 57 HOH HOH A . +C 3 HOH 58 566 58 HOH HOH A . +C 3 HOH 59 567 59 HOH HOH A . +C 3 HOH 60 568 60 HOH HOH A . +C 3 HOH 61 569 61 HOH HOH A . +C 3 HOH 62 570 62 HOH HOH A . +C 3 HOH 63 571 63 HOH HOH A . +C 3 HOH 64 572 64 HOH HOH A . +C 3 HOH 65 573 65 HOH HOH A . +C 3 HOH 66 574 66 HOH HOH A . +C 3 HOH 67 575 67 HOH HOH A . +C 3 HOH 68 576 68 HOH HOH A . +C 3 HOH 69 577 69 HOH HOH A . +C 3 HOH 70 578 70 HOH HOH A . +C 3 HOH 71 579 71 HOH HOH A . +C 3 HOH 72 580 72 HOH HOH A . +C 3 HOH 73 581 73 HOH HOH A . +C 3 HOH 74 582 74 HOH HOH A . +C 3 HOH 75 583 75 HOH HOH A . +C 3 HOH 76 584 76 HOH HOH A . +C 3 HOH 77 585 77 HOH HOH A . +C 3 HOH 78 586 78 HOH HOH A . +C 3 HOH 79 587 79 HOH HOH A . +C 3 HOH 80 588 80 HOH HOH A . +C 3 HOH 81 589 81 HOH HOH A . +C 3 HOH 82 590 82 HOH HOH A . +C 3 HOH 83 591 83 HOH HOH A . +C 3 HOH 84 592 84 HOH HOH A . +C 3 HOH 85 593 85 HOH HOH A . +C 3 HOH 86 594 86 HOH HOH A . +C 3 HOH 87 595 87 HOH HOH A . +C 3 HOH 88 596 88 HOH HOH A . +C 3 HOH 89 597 89 HOH HOH A . +C 3 HOH 90 598 90 HOH HOH A . +C 3 HOH 91 599 91 HOH HOH A . +C 3 HOH 92 600 92 HOH HOH A . +C 3 HOH 93 601 93 HOH HOH A . +C 3 HOH 94 602 94 HOH HOH A . +C 3 HOH 95 603 95 HOH HOH A . +C 3 HOH 96 604 96 HOH HOH A . +C 3 HOH 97 605 97 HOH HOH A . +C 3 HOH 98 606 98 HOH HOH A . +C 3 HOH 99 607 99 HOH HOH A . +C 3 HOH 100 608 100 HOH HOH A . +C 3 HOH 101 609 101 HOH HOH A . +C 3 HOH 102 610 102 HOH HOH A . +C 3 HOH 103 611 103 HOH HOH A . +C 3 HOH 104 612 104 HOH HOH A . +C 3 HOH 105 613 105 HOH HOH A . +C 3 HOH 106 614 106 HOH HOH A . +C 3 HOH 107 615 107 HOH HOH A . +C 3 HOH 108 616 108 HOH HOH A . +C 3 HOH 109 617 109 HOH HOH A . +C 3 HOH 110 618 110 HOH HOH A . +C 3 HOH 111 619 111 HOH HOH A . +C 3 HOH 112 620 112 HOH HOH A . +C 3 HOH 113 621 113 HOH HOH A . +C 3 HOH 114 622 114 HOH HOH A . +C 3 HOH 115 623 115 HOH HOH A . +C 3 HOH 116 624 116 HOH HOH A . +C 3 HOH 117 625 117 HOH HOH A . +C 3 HOH 118 626 118 HOH HOH A . +C 3 HOH 119 627 119 HOH HOH A . +C 3 HOH 120 628 120 HOH HOH A . +C 3 HOH 121 629 121 HOH HOH A . +C 3 HOH 122 630 122 HOH HOH A . +C 3 HOH 123 631 123 HOH HOH A . +C 3 HOH 124 632 124 HOH HOH A . +C 3 HOH 125 633 125 HOH HOH A . +C 3 HOH 126 634 126 HOH HOH A . +C 3 HOH 127 635 127 HOH HOH A . +C 3 HOH 128 636 128 HOH HOH A . +C 3 HOH 129 637 129 HOH HOH A . +C 3 HOH 130 638 130 HOH HOH A . +C 3 HOH 131 639 131 HOH HOH A . +C 3 HOH 132 640 132 HOH HOH A . +C 3 HOH 133 641 133 HOH HOH A . +C 3 HOH 134 642 134 HOH HOH A . +C 3 HOH 135 643 135 HOH HOH A . +C 3 HOH 136 644 136 HOH HOH A . +C 3 HOH 137 645 137 HOH HOH A . +C 3 HOH 138 646 138 HOH HOH A . +C 3 HOH 139 647 139 HOH HOH A . +C 3 HOH 140 648 140 HOH HOH A . +C 3 HOH 141 649 141 HOH HOH A . +C 3 HOH 142 650 142 HOH HOH A . +C 3 HOH 143 651 143 HOH HOH A . +C 3 HOH 144 652 144 HOH HOH A . +C 3 HOH 145 653 145 HOH HOH A . +C 3 HOH 146 654 146 HOH HOH A . +C 3 HOH 147 655 147 HOH HOH A . +C 3 HOH 148 656 148 HOH HOH A . +C 3 HOH 149 657 149 HOH HOH A . +C 3 HOH 150 658 150 HOH HOH A . +C 3 HOH 151 659 151 HOH HOH A . +C 3 HOH 152 660 152 HOH HOH A . +C 3 HOH 153 661 153 HOH HOH A . +C 3 HOH 154 662 154 HOH HOH A . +C 3 HOH 155 663 155 HOH HOH A . +C 3 HOH 156 664 156 HOH HOH A . +C 3 HOH 157 665 157 HOH HOH A . +C 3 HOH 158 666 158 HOH HOH A . +C 3 HOH 159 667 159 HOH HOH A . +C 3 HOH 160 668 160 HOH HOH A . +C 3 HOH 161 669 161 HOH HOH A . +C 3 HOH 162 670 162 HOH HOH A . +C 3 HOH 163 671 163 HOH HOH A . +C 3 HOH 164 672 164 HOH HOH A . +C 3 HOH 165 673 165 HOH HOH A . +C 3 HOH 166 674 166 HOH HOH A . +C 3 HOH 167 675 167 HOH HOH A . +C 3 HOH 168 676 168 HOH HOH A . +C 3 HOH 169 677 169 HOH HOH A . +C 3 HOH 170 678 170 HOH HOH A . +C 3 HOH 171 679 171 HOH HOH A . +C 3 HOH 172 680 172 HOH HOH A . +C 3 HOH 173 681 173 HOH HOH A . +C 3 HOH 174 682 174 HOH HOH A . +C 3 HOH 175 683 175 HOH HOH A . +C 3 HOH 176 684 176 HOH HOH A . +C 3 HOH 177 685 177 HOH HOH A . +C 3 HOH 178 686 178 HOH HOH A . +C 3 HOH 179 687 179 HOH HOH A . +C 3 HOH 180 688 180 HOH HOH A . +C 3 HOH 181 689 181 HOH HOH A . +C 3 HOH 182 690 182 HOH HOH A . +C 3 HOH 183 691 183 HOH HOH A . +C 3 HOH 184 692 184 HOH HOH A . +C 3 HOH 185 693 185 HOH HOH A . +C 3 HOH 186 694 186 HOH HOH A . +C 3 HOH 187 695 187 HOH HOH A . +C 3 HOH 188 696 188 HOH HOH A . +C 3 HOH 189 697 189 HOH HOH A . +C 3 HOH 190 698 190 HOH HOH A . +# diff --git a/tests/mol-spec-data/1h9t/domains-grouped.json b/tests/mol-spec-data/1h9t/domains-grouped.json new file mode 100644 index 0000000..0247937 --- /dev/null +++ b/tests/mol-spec-data/1h9t/domains-grouped.json @@ -0,0 +1,163 @@ +[ + { + "label_asym_id": "A", + "beg_label_seq_id": 9, + "end_label_seq_id": 83, + "color": "#dd6600", + "tooltip": "DNA-binding", + "group_id": 1 + }, + { + "label_asym_id": "A", + "beg_label_seq_id": 84, + "end_label_seq_id": 231, + "color": "#008800", + "tooltip": "Acyl-CoA binding", + "group_id": 2 + }, + { + "label_asym_id": "B", + "beg_label_seq_id": 9, + "end_label_seq_id": 83, + "color": "#cc8800", + "tooltip": "DNA-binding", + "group_id": 1 + }, + { + "label_asym_id": "B", + "beg_label_seq_id": 84, + "end_label_seq_id": 231, + "color": "#008888", + "tooltip": "Acyl-CoA binding", + "group_id": 2 + }, + { + "label_asym_id": "C", + "color": "#1100aa", + "tooltip": "DNA", + "group_id": "dna" + }, + { + "label_asym_id": "D", + "color": "#dddddd", + "tooltip": "DNA", + "group_id": "dna" + }, + { + "label_asym_id": "D", + "atom_id": 4016, + "color": "#ff0044", + "tooltip": "DNA Y - O5'", + "group_id": 1000 + }, + { + "label_asym_id": "D", + "atom_id": 4391, + "color": "#4400ff", + "tooltip": "DNA Y - O3'", + "group_id": 1001 + }, + + + { + "label_asym_id": "E", + "color": "#ffff00", + "tooltip": "Gold" + }, + { + "label_asym_id": "H", + "color": "#ffff00", + "tooltip": "Gold" + }, + { + "label_asym_id": "F", + "color": "#00dd00", + "tooltip": "Chloride" + }, + { + "label_asym_id": "G", + "color": "#00dd00", + "tooltip": "Chloride" + }, + { + "label_asym_id": "I", + "color": "#00dd00", + "tooltip": "Chloride" + }, + + { + "label_asym_id": "A", + "label_seq_id": 57, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "A", + "label_seq_id": 67, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "A", + "label_seq_id": 121, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "A", + "label_seq_id": 125, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "A", + "label_seq_id": 129, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "A", + "label_seq_id": 178, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "A", + "beg_label_seq_id": 203, + "end_label_seq_id": 205, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + + { + "label_asym_id": "B", + "label_seq_id": 67, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "B", + "label_seq_id": 121, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "B", + "label_seq_id": 125, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "B", + "label_seq_id": 129, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "B", + "beg_label_seq_id": 203, + "end_label_seq_id": 205, + "color": "#ff0000", + "tooltip": "Ligand binding site" + } +] \ No newline at end of file diff --git a/tests/mol-spec-data/1h9t/domains.cif b/tests/mol-spec-data/1h9t/domains.cif new file mode 100644 index 0000000..b1bd457 --- /dev/null +++ b/tests/mol-spec-data/1h9t/domains.cif @@ -0,0 +1,34 @@ +data_1h9t_annotations + +loop_ +_domains.label_asym_id +_domains.beg_label_seq_id +_domains.end_label_seq_id +_domains.atom_id +_domains.color +_domains.label +A 9 83 . "#dd6600" "DNA-binding" +A 84 231 . "#008800" "Acyl-CoA binding" +B 9 83 . "#cc8800" "DNA-binding" +B 84 231 . "#008888" "Acyl-CoA binding" +C . . . "#1100aa" "DNA X" +D . . . "#dddddd" "DNA Y" +D . . 4016 "#ff0044" "DNA Y - O5'" +D . . 4391 "#4400ff" "DNA Y - O3'" +E . . . "#ffff00" "Gold" +H . . . "#ffff00" "Gold" +F . . . "#00dd00" "Chloride" +G . . . "#00dd00" "Chloride" +I . . . "#00dd00" "Chloride" +A 57 57 . "#ff0000" "Ligand binding site" +A 67 67 . "#ff0000" "Ligand binding site" +A 121 121 . "#ff0000" "Ligand binding site" +A 125 125 . "#ff0000" "Ligand binding site" +A 129 129 . "#ff0000" "Ligand binding site" +A 178 178 . "#ff0000" "Ligand binding site" +A 203 205 . "#ff0000" "Ligand binding site" +B 67 67 . "#ff0000" "Ligand binding site" +B 121 121 . "#ff0000" "Ligand binding site" +B 125 125 . "#ff0000" "Ligand binding site" +B 129 129 . "#ff0000" "Ligand binding site" +B 203 205 . "#ff0000" "Ligand binding site" diff --git a/tests/mol-spec-data/1h9t/domains.json b/tests/mol-spec-data/1h9t/domains.json new file mode 100644 index 0000000..3bc1b77 --- /dev/null +++ b/tests/mol-spec-data/1h9t/domains.json @@ -0,0 +1,155 @@ +[ + { + "label_asym_id": "A", + "beg_label_seq_id": 9, + "end_label_seq_id": 83, + "color": "#dd6600", + "tooltip": "DNA-binding" + }, + { + "label_asym_id": "A", + "beg_label_seq_id": 84, + "end_label_seq_id": 231, + "color": "#008800", + "tooltip": "Acyl-CoA binding" + }, + { + "label_asym_id": "B", + "beg_label_seq_id": 9, + "end_label_seq_id": 83, + "color": "#cc8800", + "tooltip": "DNA-binding" + }, + { + "label_asym_id": "B", + "beg_label_seq_id": 84, + "end_label_seq_id": 231, + "color": "#008888", + "tooltip": "Acyl-CoA binding" + }, + { + "label_asym_id": "C", + "color": "#1100aa", + "tooltip": "DNA X" + }, + { + "label_asym_id": "D", + "color": "#dddddd", + "tooltip": "DNA Y" + }, + { + "label_asym_id": "D", + "atom_id": 4016, + "color": "#ff0044", + "tooltip": "DNA Y - O5'" + }, + { + "label_asym_id": "D", + "atom_id": 4391, + "color": "#4400ff", + "tooltip": "DNA Y - O3'" + }, + + + { + "label_asym_id": "E", + "color": "#ffff00", + "tooltip": "Gold" + }, + { + "label_asym_id": "H", + "color": "#ffff00", + "tooltip": "Gold" + }, + { + "label_asym_id": "F", + "color": "#00dd00", + "tooltip": "Chloride" + }, + { + "label_asym_id": "G", + "color": "#00dd00", + "tooltip": "Chloride" + }, + { + "label_asym_id": "I", + "color": "#00dd00", + "tooltip": "Chloride" + }, + + { + "label_asym_id": "A", + "label_seq_id": 57, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "A", + "label_seq_id": 67, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "A", + "label_seq_id": 121, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "A", + "label_seq_id": 125, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "A", + "label_seq_id": 129, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "A", + "label_seq_id": 178, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "A", + "beg_label_seq_id": 203, + "end_label_seq_id": 205, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + + { + "label_asym_id": "B", + "label_seq_id": 67, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "B", + "label_seq_id": 121, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "B", + "label_seq_id": 125, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "B", + "label_seq_id": 129, + "color": "#ff0000", + "tooltip": "Ligand binding site" + }, + { + "label_asym_id": "B", + "beg_label_seq_id": 203, + "end_label_seq_id": 205, + "color": "#ff0000", + "tooltip": "Ligand binding site" + } +] \ No newline at end of file diff --git a/tests/mol-spec-data/1hda/bfactor.cif b/tests/mol-spec-data/1hda/bfactor.cif new file mode 100644 index 0000000..3f99765 --- /dev/null +++ b/tests/mol-spec-data/1hda/bfactor.cif @@ -0,0 +1,4608 @@ +loop_ +_bfactor.label_atom_id +_bfactor.label_comp_id +_bfactor.label_asym_id +_bfactor.label_entity_id +_bfactor.label_seq_id +_bfactor.B_iso_or_equiv +_bfactor.color +N VAL A 1 1 42.02 '#bae316' +CA VAL A 1 1 40.86 '#b1df19' +C VAL A 1 1 39.81 '#a9db1c' +O VAL A 1 1 39.80 '#a9db1c' +CB VAL A 1 1 43.24 '#c4e712' +CG1 VAL A 1 1 41.13 '#b3e018' +CG2 VAL A 1 1 45.90 '#d8f00b' +N LEU A 1 2 37.25 '#95d223' +CA LEU A 1 2 34.35 '#7ec82b' +C LEU A 1 2 32.67 '#71c22f' +O LEU A 1 2 32.73 '#71c22f' +CB LEU A 1 2 31.89 '#6bbf31' +CG LEU A 1 2 33.54 '#77c52d' +CD1 LEU A 1 2 37.25 '#95d223' +CD2 LEU A 1 2 37.12 '#94d223' +N SER A 1 3 28.88 '#53b53a' +CA SER A 1 3 26.55 '#41ad40' +C SER A 1 3 24.55 '#34a647' +O SER A 1 3 23.23 '#34a250' +CB SER A 1 3 25.27 '#37a844' +OG SER A 1 3 26.50 '#40ad40' +N ALA A 1 4 24.50 '#34a648' +CA ALA A 1 4 24.16 '#34a54a' +C ALA A 1 4 24.09 '#34a54a' +O ALA A 1 4 23.96 '#34a54b' +CB ALA A 1 4 24.58 '#34a647' +N ALA A 1 5 22.59 '#34a154' +CA ALA A 1 5 20.89 '#349c5e' +C ALA A 1 5 18.81 '#34966b' +O ALA A 1 5 18.06 '#349470' +CB ALA A 1 5 22.42 '#34a055' +N ASP A 1 6 16.31 '#348f7b' +CA ASP A 1 6 15.68 '#348d7f' +C ASP A 1 6 15.98 '#348e7d' +O ASP A 1 6 15.85 '#348e7e' +CB ASP A 1 6 14.21 '#348988' +CG ASP A 1 6 15.28 '#348c81' +OD1 ASP A 1 6 14.95 '#348b83' +OD2 ASP A 1 6 17.84 '#349371' +N LYS A 1 7 15.90 '#348e7d' +CA LYS A 1 7 18.28 '#34946e' +C LYS A 1 7 19.11 '#349769' +O LYS A 1 7 19.59 '#349866' +CB LYS A 1 7 17.23 '#349175' +CG LYS A 1 7 19.48 '#349867' +CD LYS A 1 7 21.04 '#349c5d' +CE LYS A 1 7 24.74 '#34a746' +NZ LYS A 1 7 26.58 '#41ad40' +N GLY A 1 8 17.19 '#349175' +CA GLY A 1 8 16.76 '#349078' +C GLY A 1 8 16.88 '#349077' +O GLY A 1 8 15.71 '#348d7e' +N ASN A 1 9 17.25 '#349175' +CA ASN A 1 9 16.50 '#348f7a' +C ASN A 1 9 16.53 '#348f79' +O ASN A 1 9 16.65 '#349079' +CB ASN A 1 9 16.46 '#348f7a' +CG ASN A 1 9 18.94 '#34966a' +OD1 ASN A 1 9 21.85 '#349f58' +ND2 ASN A 1 9 17.19 '#349175' +N VAL A 1 10 14.75 '#348a84' +CA VAL A 1 10 14.90 '#348b84' +C VAL A 1 10 15.71 '#348d7e' +O VAL A 1 10 15.96 '#348e7d' +CB VAL A 1 10 12.08 '#338395' +CG1 VAL A 1 10 10.82 '#337f9d' +CG2 VAL A 1 10 7.43 '#3376b2' +N LYS A 1 11 16.78 '#349078' +CA LYS A 1 11 18.53 '#34956d' +C LYS A 1 11 18.43 '#34956d' +O LYS A 1 11 19.63 '#349866' +CB LYS A 1 11 23.68 '#34a44d' +CG LYS A 1 11 29.80 '#5ab837' +CD LYS A 1 11 32.89 '#72c32f' +CE LYS A 1 11 36.16 '#8cce26' +NZ LYS A 1 11 35.49 '#87cc28' +N ALA A 1 12 16.73 '#349078' +CA ALA A 1 12 16.58 '#349079' +C ALA A 1 12 18.20 '#34946f' +O ALA A 1 12 19.26 '#349768' +CB ALA A 1 12 15.72 '#348d7e' +N ALA A 1 13 18.80 '#34966b' +CA ALA A 1 13 19.24 '#349768' +C ALA A 1 13 20.76 '#349b5f' +O ALA A 1 13 21.02 '#349c5d' +CB ALA A 1 13 16.02 '#348e7d' +N TRP A 1 14 20.81 '#349c5f' +CA TRP A 1 14 21.37 '#349d5b' +C TRP A 1 14 22.73 '#34a153' +O TRP A 1 14 23.06 '#34a251' +CB TRP A 1 14 22.61 '#34a153' +CG TRP A 1 14 22.66 '#34a153' +CD1 TRP A 1 14 21.11 '#349c5d' +CD2 TRP A 1 14 23.03 '#34a251' +NE1 TRP A 1 14 21.91 '#349f58' +CE2 TRP A 1 14 23.53 '#34a34e' +CE3 TRP A 1 14 23.88 '#34a44b' +CZ2 TRP A 1 14 23.67 '#34a44d' +CZ3 TRP A 1 14 24.73 '#34a746' +CH2 TRP A 1 14 23.05 '#34a251' +N GLY A 1 15 24.14 '#34a54a' +CA GLY A 1 15 25.69 '#3aaa43' +C GLY A 1 15 26.36 '#3fac41' +O GLY A 1 15 26.61 '#41ad40' +N LYS A 1 16 27.69 '#4ab13d' +CA LYS A 1 16 29.21 '#56b639' +C LYS A 1 16 28.91 '#53b53a' +O LYS A 1 16 29.87 '#5bb837' +CB LYS A 1 16 31.66 '#69bf32' +CG LYS A 1 16 39.44 '#a6da1d' +CD LYS A 1 16 45.05 '#d2ed0d' +CE LYS A 1 16 50.09 '#f8fe00' +NZ LYS A 1 16 55.34 '#f6e503' +N VAL A 1 17 27.70 '#4ab13d' +CA VAL A 1 17 26.65 '#41ad40' +C VAL A 1 17 27.97 '#4cb23c' +O VAL A 1 17 28.39 '#4fb33b' +CB VAL A 1 17 20.68 '#349b5f' +CG1 VAL A 1 17 17.87 '#349371' +CG2 VAL A 1 17 20.16 '#349a63' +N GLY A 1 18 29.09 '#55b639' +CA GLY A 1 18 29.44 '#57b738' +C GLY A 1 18 30.29 '#5eba36' +O GLY A 1 18 31.23 '#65bd33' +N GLY A 1 19 30.68 '#61bb35' +CA GLY A 1 19 29.65 '#59b838' +C GLY A 1 19 28.82 '#52b53a' +O GLY A 1 19 29.37 '#57b738' +N HIS A 1 20 26.91 '#43ae3f' +CA HIS A 1 20 25.55 '#39a943' +C HIS A 1 20 23.24 '#34a34f' +O HIS A 1 20 22.41 '#34a055' +CB HIS A 1 20 31.10 '#64bd34' +CG HIS A 1 20 37.37 '#95d322' +ND1 HIS A 1 20 40.36 '#addd1a' +CD2 HIS A 1 20 39.15 '#a3d91d' +CE1 HIS A 1 20 42.05 '#bae315' +NE2 HIS A 1 20 41.26 '#b4e018' +N ALA A 1 21 20.37 '#349a61' +CA ALA A 1 21 17.51 '#349273' +C ALA A 1 21 17.01 '#349176' +O ALA A 1 21 17.75 '#349372' +CB ALA A 1 21 14.35 '#348987' +N ALA A 1 22 16.80 '#349078' +CA ALA A 1 22 15.63 '#348d7f' +C ALA A 1 22 15.88 '#348e7d' +O ALA A 1 22 15.54 '#348d80' +CB ALA A 1 22 11.85 '#338297' +N GLU A 1 23 17.73 '#349372' +CA GLU A 1 23 19.31 '#349768' +C GLU A 1 23 18.39 '#34956e' +O GLU A 1 23 18.57 '#34956d' +CB GLU A 1 23 26.80 '#43ae40' +CG GLU A 1 23 39.35 '#a5d91d' +CD GLU A 1 23 45.11 '#d2ed0d' +OE1 GLU A 1 23 46.64 '#def309' +OE2 GLU A 1 23 44.65 '#cfec0e' +N TYR A 1 24 17.95 '#349370' +CA TYR A 1 24 17.21 '#349175' +C TYR A 1 24 16.13 '#348e7c' +O TYR A 1 24 15.35 '#348c81' +CB TYR A 1 24 17.88 '#349371' +CG TYR A 1 24 20.12 '#349a63' +CD1 TYR A 1 24 22.04 '#349f57' +CD2 TYR A 1 24 20.22 '#349a62' +CE1 TYR A 1 24 22.73 '#34a153' +CE2 TYR A 1 24 22.81 '#34a152' +CZ TYR A 1 24 23.90 '#34a44b' +OH TYR A 1 24 24.99 '#34a745' +N GLY A 1 25 15.22 '#348c82' +CA GLY A 1 25 14.72 '#348a85' +C GLY A 1 25 14.18 '#348988' +O GLY A 1 25 13.87 '#34888a' +N ALA A 1 26 13.64 '#34878b' +CA ALA A 1 26 12.27 '#338394' +C ALA A 1 26 12.34 '#338493' +O ALA A 1 26 14.82 '#348b84' +CB ALA A 1 26 8.22 '#3378ad' +N GLU A 1 27 12.33 '#338494' +CA GLU A 1 27 10.43 '#337e9f' +C GLU A 1 27 9.12 '#337aa8' +O GLU A 1 27 9.39 '#337ba6' +CB GLU A 1 27 12.66 '#348492' +CG GLU A 1 27 17.18 '#349175' +CD GLU A 1 27 19.11 '#349769' +OE1 GLU A 1 27 19.21 '#349769' +OE2 GLU A 1 27 20.19 '#349a63' +N ALA A 1 28 8.60 '#3379ab' +CA ALA A 1 28 10.06 '#337da2' +C ALA A 1 28 9.90 '#337da3' +O ALA A 1 28 9.22 '#337ba7' +CB ALA A 1 28 9.82 '#337ca3' +N LEU A 1 29 9.76 '#337ca4' +CA LEU A 1 29 10.98 '#33809c' +C LEU A 1 29 11.31 '#33819a' +O LEU A 1 29 11.61 '#338198' +CB LEU A 1 29 11.22 '#33809a' +CG LEU A 1 29 10.96 '#33809c' +CD1 LEU A 1 29 10.04 '#337da2' +CD2 LEU A 1 29 11.87 '#338296' +N GLU A 1 30 11.11 '#33809b' +CA GLU A 1 30 12.84 '#348590' +C GLU A 1 30 13.78 '#34888b' +O GLU A 1 30 15.20 '#348c82' +CB GLU A 1 30 16.94 '#349177' +CG GLU A 1 30 29.92 '#5bb937' +CD GLU A 1 30 35.92 '#8ace26' +OE1 GLU A 1 30 40.71 '#b0de19' +OE2 GLU A 1 30 39.13 '#a3d91e' +N ARG A 1 31 11.41 '#338199' +CA ARG A 1 31 10.57 '#337f9f' +C ARG A 1 31 9.49 '#337ba5' +O ARG A 1 31 9.55 '#337ca5' +CB ARG A 1 31 10.39 '#337ea0' +CG ARG A 1 31 10.14 '#337da1' +CD ARG A 1 31 11.99 '#338396' +NE ARG A 1 31 14.39 '#348987' +CZ ARG A 1 31 13.68 '#34878b' +NH1 ARG A 1 31 10.10 '#337da1' +NH2 ARG A 1 31 16.39 '#348f7a' +N MET A 1 32 9.16 '#337ba7' +CA MET A 1 32 9.79 '#337ca3' +C MET A 1 32 10.26 '#337ea0' +O MET A 1 32 9.11 '#337aa8' +CB MET A 1 32 6.24 '#3372ba' +CG MET A 1 32 7.59 '#3376b1' +SD MET A 1 32 12.26 '#338394' +CE MET A 1 32 9.40 '#337ba6' +N PHE A 1 33 10.72 '#337f9e' +CA PHE A 1 33 12.39 '#338493' +C PHE A 1 33 13.28 '#34868e' +O PHE A 1 33 13.67 '#34878b' +CB PHE A 1 33 12.50 '#348493' +CG PHE A 1 33 13.83 '#34888a' +CD1 PHE A 1 33 12.62 '#348492' +CD2 PHE A 1 33 13.94 '#34888a' +CE1 PHE A 1 33 13.59 '#34878c' +CE2 PHE A 1 33 12.85 '#348590' +CZ PHE A 1 33 14.91 '#348b83' +N LEU A 1 34 13.77 '#34888b' +CA LEU A 1 34 15.04 '#348b83' +C LEU A 1 34 15.02 '#348b83' +O LEU A 1 34 15.54 '#348d80' +CB LEU A 1 34 19.40 '#349867' +CG LEU A 1 34 22.10 '#349f57' +CD1 LEU A 1 34 24.56 '#34a647' +CD2 LEU A 1 34 21.83 '#349e58' +N SER A 1 35 15.04 '#348b83' +CA SER A 1 35 15.16 '#348c82' +C SER A 1 35 14.96 '#348b83' +O SER A 1 35 14.69 '#348a85' +CB SER A 1 35 16.05 '#348e7c' +OG SER A 1 35 22.62 '#34a153' +N PHE A 1 36 14.10 '#348989' +CA PHE A 1 36 14.64 '#348a85' +C PHE A 1 36 13.69 '#34878b' +O PHE A 1 36 13.98 '#348889' +CB PHE A 1 36 14.00 '#348889' +CG PHE A 1 36 14.62 '#348a85' +CD1 PHE A 1 36 16.63 '#349079' +CD2 PHE A 1 36 16.18 '#348e7c' +CE1 PHE A 1 36 14.85 '#348b84' +CE2 PHE A 1 36 15.53 '#348d80' +CZ PHE A 1 36 15.80 '#348d7e' +N PRO A 1 37 12.55 '#348492' +CA PRO A 1 37 11.86 '#338296' +C PRO A 1 37 12.02 '#338395' +O PRO A 1 37 12.79 '#348591' +CB PRO A 1 37 12.88 '#348590' +CG PRO A 1 37 14.94 '#348b83' +CD PRO A 1 37 14.03 '#348889' +N THR A 1 38 10.78 '#337f9d' +CA THR A 1 38 10.55 '#337e9f' +C THR A 1 38 10.39 '#337ea0' +O THR A 1 38 10.00 '#337da2' +CB THR A 1 38 12.21 '#338394' +OG1 THR A 1 38 11.93 '#338296' +CG2 THR A 1 38 12.00 '#338396' +N THR A 1 39 10.17 '#337da1' +CA THR A 1 39 10.57 '#337f9f' +C THR A 1 39 11.34 '#33819a' +O THR A 1 39 11.82 '#338297' +CB THR A 1 39 9.42 '#337ba6' +OG1 THR A 1 39 10.10 '#337da1' +CG2 THR A 1 39 3.89 '#336cc8' +N LYS A 1 40 10.10 '#337da1' +CA LYS A 1 40 8.51 '#3379ab' +C LYS A 1 40 7.71 '#3376b0' +O LYS A 1 40 7.23 '#3375b3' +CB LYS A 1 40 7.32 '#3375b3' +CG LYS A 1 40 10.51 '#337e9f' +CD LYS A 1 40 11.49 '#338199' +CE LYS A 1 40 13.83 '#34888a' +NZ LYS A 1 40 16.80 '#349078' +N THR A 1 41 7.60 '#3376b1' +CA THR A 1 41 9.60 '#337ca5' +C THR A 1 41 12.71 '#348591' +O THR A 1 41 14.60 '#348a85' +CB THR A 1 41 6.00 '#3372bb' +OG1 THR A 1 41 8.82 '#337aa9' +CG2 THR A 1 41 5.02 '#336fc1' +N TYR A 1 42 13.12 '#34868f' +CA TYR A 1 42 14.06 '#348889' +C TYR A 1 42 15.97 '#348e7d' +O TYR A 1 42 16.09 '#348e7c' +CB TYR A 1 42 12.85 '#348590' +CG TYR A 1 42 10.83 '#337f9d' +CD1 TYR A 1 42 11.00 '#33809c' +CD2 TYR A 1 42 9.16 '#337ba7' +CE1 TYR A 1 42 10.12 '#337da1' +CE2 TYR A 1 42 9.93 '#337da3' +CZ TYR A 1 42 11.06 '#33809b' +OH TYR A 1 42 10.90 '#337f9c' +N PHE A 1 43 16.40 '#348f7a' +CA PHE A 1 43 17.95 '#349370' +C PHE A 1 43 18.72 '#34966c' +O PHE A 1 43 18.68 '#34966c' +CB PHE A 1 43 15.86 '#348e7e' +CG PHE A 1 43 16.23 '#348f7b' +CD1 PHE A 1 43 13.78 '#34888b' +CD2 PHE A 1 43 13.21 '#34868e' +CE1 PHE A 1 43 12.84 '#348590' +CE2 PHE A 1 43 11.76 '#338297' +CZ PHE A 1 43 10.22 '#337ea1' +N PRO A 1 44 19.39 '#349868' +CA PRO A 1 44 19.39 '#349868' +C PRO A 1 44 19.87 '#349965' +O PRO A 1 44 21.30 '#349d5c' +CB PRO A 1 44 18.12 '#34946f' +CG PRO A 1 44 17.92 '#349371' +CD PRO A 1 44 18.38 '#34956e' +N HIS A 1 45 19.93 '#349964' +CA HIS A 1 45 22.64 '#34a153' +C HIS A 1 45 22.77 '#34a152' +O HIS A 1 45 22.92 '#34a251' +CB HIS A 1 45 29.87 '#5bb837' +CG HIS A 1 45 36.09 '#8bce26' +ND1 HIS A 1 45 38.87 '#a1d81e' +CD2 HIS A 1 45 35.37 '#86cc28' +CE1 HIS A 1 45 37.22 '#94d223' +NE2 HIS A 1 45 34.65 '#80c92a' +N PHE A 1 46 21.31 '#349d5c' +CA PHE A 1 46 20.12 '#349a63' +C PHE A 1 46 22.38 '#34a055' +O PHE A 1 46 23.04 '#34a251' +CB PHE A 1 46 13.76 '#34888b' +CG PHE A 1 46 13.49 '#34878c' +CD1 PHE A 1 46 13.88 '#34888a' +CD2 PHE A 1 46 15.40 '#348c80' +CE1 PHE A 1 46 14.13 '#348988' +CE2 PHE A 1 46 18.35 '#34956e' +CZ PHE A 1 46 17.94 '#349371' +N ASP A 1 47 23.89 '#34a44b' +CA ASP A 1 47 24.35 '#34a649' +C ASP A 1 47 24.38 '#34a648' +O ASP A 1 47 22.01 '#349f57' +CB ASP A 1 47 28.98 '#54b53a' +CG ASP A 1 47 32.47 '#6fc130' +OD1 ASP A 1 47 31.85 '#6abf32' +OD2 ASP A 1 47 36.13 '#8cce26' +N LEU A 1 48 25.76 '#3aaa42' +CA LEU A 1 48 26.90 '#43ae3f' +C LEU A 1 48 28.61 '#51b43b' +O LEU A 1 48 30.11 '#5db936' +CB LEU A 1 48 24.67 '#34a747' +CG LEU A 1 48 21.99 '#349f57' +CD1 LEU A 1 48 23.93 '#34a44b' +CD2 LEU A 1 48 21.86 '#349f58' +N SER A 1 49 29.72 '#5ab837' +CA SER A 1 49 30.02 '#5cb937' +C SER A 1 49 30.64 '#61bb35' +O SER A 1 49 29.81 '#5ab837' +CB SER A 1 49 28.91 '#53b53a' +OG SER A 1 49 27.89 '#4bb23d' +N HIS A 1 50 31.89 '#6bbf31' +CA HIS A 1 50 32.67 '#71c22f' +C HIS A 1 50 30.95 '#63bc34' +O HIS A 1 50 31.83 '#6abf32' +CB HIS A 1 50 37.78 '#99d421' +CG HIS A 1 50 42.98 '#c1e613' +ND1 HIS A 1 50 45.33 '#d4ee0c' +CD2 HIS A 1 50 45.75 '#d7f00b' +CE1 HIS A 1 50 45.71 '#d7f00b' +NE2 HIS A 1 50 47.16 '#e2f507' +N GLY A 1 51 28.98 '#54b53a' +CA GLY A 1 51 28.52 '#50b43b' +C GLY A 1 51 27.84 '#4bb13d' +O GLY A 1 51 27.99 '#4cb23c' +N SER A 1 52 26.56 '#41ad40' +CA SER A 1 52 24.40 '#34a648' +C SER A 1 52 22.83 '#34a152' +O SER A 1 52 22.69 '#34a153' +CB SER A 1 52 24.41 '#34a648' +OG SER A 1 52 25.74 '#3aaa42' +N ALA A 1 53 21.12 '#349c5d' +CA ALA A 1 53 19.56 '#349866' +C ALA A 1 53 18.99 '#34966a' +O ALA A 1 53 19.54 '#349867' +CB ALA A 1 53 15.83 '#348d7e' +N GLN A 1 54 19.34 '#349768' +CA GLN A 1 54 19.67 '#349866' +C GLN A 1 54 18.54 '#34956d' +O GLN A 1 54 16.63 '#349079' +CB GLN A 1 54 22.82 '#34a152' +CG GLN A 1 54 24.74 '#34a746' +CD GLN A 1 54 26.30 '#3fac41' +OE1 GLN A 1 54 27.65 '#49b13d' +NE2 GLN A 1 54 23.26 '#34a34f' +N VAL A 1 55 19.20 '#349769' +CA VAL A 1 55 19.81 '#349965' +C VAL A 1 55 19.73 '#349965' +O VAL A 1 55 19.86 '#349965' +CB VAL A 1 55 19.35 '#349768' +CG1 VAL A 1 55 19.45 '#349867' +CG2 VAL A 1 55 19.60 '#349866' +N LYS A 1 56 18.63 '#34956c' +CA LYS A 1 56 18.28 '#34946e' +C LYS A 1 56 16.59 '#349079' +O LYS A 1 56 16.45 '#348f7a' +CB LYS A 1 56 25.33 '#37a944' +CG LYS A 1 56 32.50 '#6fc230' +CD LYS A 1 56 37.24 '#94d223' +CE LYS A 1 56 41.57 '#b6e117' +NZ LYS A 1 56 44.96 '#d1ed0d' +N GLY A 1 57 14.95 '#348b83' +CA GLY A 1 57 12.94 '#348590' +C GLY A 1 57 13.46 '#34878d' +O GLY A 1 57 14.66 '#348a85' +N HIS A 1 58 13.00 '#34858f' +CA HIS A 1 58 14.48 '#348a86' +C HIS A 1 58 14.24 '#348988' +O HIS A 1 58 13.42 '#34878d' +CB HIS A 1 58 15.83 '#348d7e' +CG HIS A 1 58 17.79 '#349371' +ND1 HIS A 1 58 18.05 '#349470' +CD2 HIS A 1 58 17.34 '#349274' +CE1 HIS A 1 58 18.23 '#34946f' +NE2 HIS A 1 58 19.03 '#34976a' +N GLY A 1 59 12.59 '#348492' +CA GLY A 1 59 12.30 '#338394' +C GLY A 1 59 13.67 '#34878b' +O GLY A 1 59 14.33 '#348987' +N ALA A 1 60 13.92 '#34888a' +CA ALA A 1 60 14.55 '#348a86' +C ALA A 1 60 15.51 '#348d80' +O ALA A 1 60 16.52 '#348f79' +CB ALA A 1 60 17.38 '#349274' +N LYS A 1 61 13.90 '#34888a' +CA LYS A 1 61 13.04 '#34868f' +C LYS A 1 61 12.37 '#338493' +O LYS A 1 61 14.16 '#348988' +CB LYS A 1 61 17.91 '#349371' +CG LYS A 1 61 24.17 '#34a54a' +CD LYS A 1 61 30.77 '#62bc35' +CE LYS A 1 61 33.98 '#7bc72c' +NZ LYS A 1 61 34.84 '#82ca29' +N VAL A 1 62 11.09 '#33809b' +CA VAL A 1 62 10.43 '#337e9f' +C VAL A 1 62 11.21 '#33809b' +O VAL A 1 62 10.95 '#33809c' +CB VAL A 1 62 9.53 '#337ca5' +CG1 VAL A 1 62 7.28 '#3375b3' +CG2 VAL A 1 62 10.56 '#337e9f' +N ALA A 1 63 9.81 '#337ca3' +CA ALA A 1 63 9.90 '#337da3' +C ALA A 1 63 10.74 '#337f9d' +O ALA A 1 63 12.06 '#338395' +CB ALA A 1 63 10.97 '#33809c' +N ALA A 1 64 9.55 '#337ca5' +CA ALA A 1 64 9.73 '#337ca4' +C ALA A 1 64 10.54 '#337e9f' +O ALA A 1 64 10.09 '#337da2' +CB ALA A 1 64 6.78 '#3374b6' +N ALA A 1 65 11.03 '#33809c' +CA ALA A 1 65 10.75 '#337f9d' +C ALA A 1 65 11.87 '#338296' +O ALA A 1 65 11.67 '#338298' +CB ALA A 1 65 9.98 '#337da2' +N LEU A 1 66 12.49 '#338493' +CA LEU A 1 66 12.65 '#348492' +C LEU A 1 66 14.59 '#348a85' +O LEU A 1 66 15.32 '#348c81' +CB LEU A 1 66 9.00 '#337aa8' +CG LEU A 1 66 9.42 '#337ba6' +CD1 LEU A 1 66 8.54 '#3379ab' +CD2 LEU A 1 66 6.81 '#3374b6' +N THR A 1 67 14.97 '#348b83' +CA THR A 1 67 15.33 '#348c81' +C THR A 1 67 16.68 '#349078' +O THR A 1 67 16.29 '#348f7b' +CB THR A 1 67 14.37 '#348987' +OG1 THR A 1 67 14.69 '#348a85' +CG2 THR A 1 67 14.44 '#348a86' +N LYS A 1 68 16.81 '#349078' +CA LYS A 1 68 16.15 '#348e7c' +C LYS A 1 68 15.90 '#348e7d' +O LYS A 1 68 15.71 '#348d7e' +CB LYS A 1 68 19.85 '#349965' +CG LYS A 1 68 27.60 '#49b13d' +CD LYS A 1 68 33.95 '#7bc72c' +CE LYS A 1 68 36.26 '#8dcf25' +NZ LYS A 1 68 35.90 '#8acd26' +N ALA A 1 69 14.67 '#348a85' +CA ALA A 1 69 14.04 '#348889' +C ALA A 1 69 14.86 '#348b84' +O ALA A 1 69 13.96 '#348889' +CB ALA A 1 69 11.72 '#338297' +N VAL A 1 70 15.32 '#348c81' +CA VAL A 1 70 18.24 '#34946f' +C VAL A 1 70 21.18 '#349d5c' +O VAL A 1 70 21.19 '#349d5c' +CB VAL A 1 70 17.04 '#349176' +CG1 VAL A 1 70 14.96 '#348b83' +CG2 VAL A 1 70 14.09 '#348989' +N GLU A 1 71 23.38 '#34a34f' +CA GLU A 1 71 25.58 '#39aa43' +C GLU A 1 71 25.07 '#35a844' +O GLU A 1 71 25.15 '#36a844' +CB GLU A 1 71 31.95 '#6bc031' +CG GLU A 1 71 41.70 '#b7e216' +CD GLU A 1 71 48.31 '#ebf904' +OE1 GLU A 1 71 52.11 '#f7f401' +OE2 GLU A 1 71 51.51 '#f8f701' +N HIS A 1 72 23.91 '#34a44b' +CA HIS A 1 72 20.99 '#349c5e' +C HIS A 1 72 18.63 '#34956c' +O HIS A 1 72 16.23 '#348f7b' +CB HIS A 1 72 22.91 '#34a252' +CG HIS A 1 72 27.86 '#4bb13d' +ND1 HIS A 1 72 30.01 '#5cb937' +CD2 HIS A 1 72 29.80 '#5ab837' +CE1 HIS A 1 72 31.92 '#6bc031' +NE2 HIS A 1 72 32.07 '#6cc031' +N LEU A 1 73 18.66 '#34956c' +CA LEU A 1 73 20.84 '#349c5e' +C LEU A 1 73 24.44 '#34a648' +O LEU A 1 73 27.02 '#44af3f' +CB LEU A 1 73 20.17 '#349a63' +CG LEU A 1 73 20.05 '#349963' +CD1 LEU A 1 73 20.24 '#349a62' +CD2 LEU A 1 73 19.34 '#349768' +N ASP A 1 74 24.47 '#34a648' +CA ASP A 1 74 22.86 '#34a152' +C ASP A 1 74 21.59 '#349e5a' +O ASP A 1 74 20.61 '#349b60' +CB ASP A 1 74 23.96 '#34a54b' +CG ASP A 1 74 25.91 '#3cab42' +OD1 ASP A 1 74 28.74 '#52b53a' +OD2 ASP A 1 74 26.31 '#3fac41' +N ASP A 1 75 20.07 '#349963' +CA ASP A 1 75 19.93 '#349964' +C ASP A 1 75 20.14 '#349a63' +O ASP A 1 75 19.33 '#349768' +CB ASP A 1 75 19.50 '#349867' +CG ASP A 1 75 18.96 '#34966a' +OD1 ASP A 1 75 18.28 '#34946e' +OD2 ASP A 1 75 18.80 '#34966b' +N LEU A 1 76 19.91 '#349964' +CA LEU A 1 76 21.17 '#349d5c' +C LEU A 1 76 20.91 '#349c5e' +O LEU A 1 76 20.86 '#349c5e' +CB LEU A 1 76 21.79 '#349e59' +CG LEU A 1 76 24.35 '#34a649' +CD1 LEU A 1 76 25.20 '#36a844' +CD2 LEU A 1 76 24.03 '#34a54b' +N PRO A 1 77 20.44 '#349b61' +CA PRO A 1 77 18.90 '#34966b' +C PRO A 1 77 18.37 '#34956e' +O PRO A 1 77 18.41 '#34956e' +CB PRO A 1 77 17.53 '#349273' +CG PRO A 1 77 18.37 '#34956e' +CD PRO A 1 77 19.59 '#349866' +N GLY A 1 78 17.91 '#349371' +CA GLY A 1 78 17.45 '#349274' +C GLY A 1 78 19.60 '#349866' +O GLY A 1 78 21.06 '#349c5d' +N ALA A 1 79 20.52 '#349b60' +CA ALA A 1 79 23.01 '#34a251' +C ALA A 1 79 25.22 '#36a844' +O ALA A 1 79 26.69 '#42ad40' +CB ALA A 1 79 22.71 '#34a153' +N LEU A 1 80 25.05 '#35a844' +CA LEU A 1 80 25.08 '#35a844' +C LEU A 1 80 24.95 '#34a745' +O LEU A 1 80 25.20 '#36a844' +CB LEU A 1 80 23.12 '#34a250' +CG LEU A 1 80 20.92 '#349c5e' +CD1 LEU A 1 80 19.55 '#349867' +CD2 LEU A 1 80 19.74 '#349965' +N SER A 1 81 25.56 '#39a943' +CA SER A 1 81 25.45 '#38a943' +C SER A 1 81 24.48 '#34a648' +O SER A 1 81 24.01 '#34a54b' +CB SER A 1 81 25.40 '#38a943' +OG SER A 1 81 32.88 '#72c32f' +N GLU A 1 82 24.58 '#34a647' +CA GLU A 1 82 26.07 '#3dab42' +C GLU A 1 82 24.11 '#34a54a' +O GLU A 1 82 23.09 '#34a250' +CB GLU A 1 82 33.22 '#75c42e' +CG GLU A 1 82 47.62 '#e6f606' +CD GLU A 1 82 55.26 '#f6e503' +OE1 GLU A 1 82 54.46 '#f6e903' +OE2 GLU A 1 82 58.54 '#f4d605' +N LEU A 1 83 21.40 '#349d5b' +CA LEU A 1 83 19.53 '#349867' +C LEU A 1 83 17.15 '#349175' +O LEU A 1 83 17.55 '#349273' +CB LEU A 1 83 21.31 '#349d5c' +CG LEU A 1 83 24.04 '#34a54a' +CD1 LEU A 1 83 24.86 '#34a745' +CD2 LEU A 1 83 22.50 '#34a054' +N SER A 1 84 15.29 '#348c81' +CA SER A 1 84 14.39 '#348987' +C SER A 1 84 13.63 '#34878b' +O SER A 1 84 12.21 '#338394' +CB SER A 1 84 16.47 '#348f7a' +OG SER A 1 84 24.27 '#34a549' +N ASP A 1 85 14.56 '#348a86' +CA ASP A 1 85 15.68 '#348d7f' +C ASP A 1 85 14.67 '#348a85' +O ASP A 1 85 15.72 '#348d7e' +CB ASP A 1 85 23.49 '#34a34e' +CG ASP A 1 85 30.86 '#62bc34' +OD1 ASP A 1 85 33.51 '#77c52d' +OD2 ASP A 1 85 32.22 '#6dc131' +N LEU A 1 86 12.82 '#348591' +CA LEU A 1 86 12.63 '#348492' +C LEU A 1 86 12.57 '#348492' +O LEU A 1 86 12.39 '#338493' +CB LEU A 1 86 12.98 '#348590' +CG LEU A 1 86 16.27 '#348f7b' +CD1 LEU A 1 86 15.83 '#348d7e' +CD2 LEU A 1 86 17.49 '#349273' +N HIS A 1 87 11.44 '#338199' +CA HIS A 1 87 13.63 '#34878b' +C HIS A 1 87 14.39 '#348987' +O HIS A 1 87 15.06 '#348b83' +CB HIS A 1 87 13.27 '#34868e' +CG HIS A 1 87 15.87 '#348e7d' +ND1 HIS A 1 87 15.68 '#348d7f' +CD2 HIS A 1 87 15.24 '#348c81' +CE1 HIS A 1 87 13.86 '#34888a' +NE2 HIS A 1 87 15.42 '#348c80' +N ALA A 1 88 15.13 '#348b82' +CA ALA A 1 88 16.76 '#349078' +C ALA A 1 88 17.96 '#349470' +O ALA A 1 88 16.67 '#349078' +CB ALA A 1 88 12.96 '#348590' +N HIS A 1 89 19.68 '#349866' +CA HIS A 1 89 22.60 '#34a153' +C HIS A 1 89 23.16 '#34a250' +O HIS A 1 89 21.45 '#349d5b' +CB HIS A 1 89 26.93 '#44ae3f' +CG HIS A 1 89 33.35 '#76c52d' +ND1 HIS A 1 89 34.39 '#7ec82b' +CD2 HIS A 1 89 33.78 '#79c62c' +CE1 HIS A 1 89 35.42 '#86cc28' +NE2 HIS A 1 89 34.56 '#7fc92a' +N LYS A 1 90 23.66 '#34a44d' +CA LYS A 1 90 23.63 '#34a44d' +C LYS A 1 90 22.02 '#349f57' +O LYS A 1 90 21.94 '#349f58' +CB LYS A 1 90 27.55 '#48b03d' +CG LYS A 1 90 33.88 '#7ac62c' +CD LYS A 1 90 40.57 '#afde1a' +CE LYS A 1 90 43.14 '#c3e712' +NZ LYS A 1 90 44.42 '#cdeb0f' +N LEU A 1 91 19.14 '#349769' +CA LEU A 1 91 16.08 '#348e7c' +C LEU A 1 91 15.79 '#348d7e' +O LEU A 1 91 15.88 '#348e7d' +CB LEU A 1 91 13.16 '#34868e' +CG LEU A 1 91 13.14 '#34868f' +CD1 LEU A 1 91 14.85 '#348b84' +CD2 LEU A 1 91 8.99 '#337aa8' +N ARG A 1 92 14.84 '#348b84' +CA ARG A 1 92 15.04 '#348b83' +C ARG A 1 92 14.89 '#348b84' +O ARG A 1 92 15.34 '#348c81' +CB ARG A 1 92 15.93 '#348e7d' +CG ARG A 1 92 21.28 '#349d5c' +CD ARG A 1 92 24.83 '#34a746' +NE ARG A 1 92 28.86 '#53b53a' +CZ ARG A 1 92 29.61 '#59b838' +NH1 ARG A 1 92 28.93 '#53b53a' +NH2 ARG A 1 92 29.10 '#55b639' +N VAL A 1 93 14.03 '#348889' +CA VAL A 1 93 13.04 '#34868f' +C VAL A 1 93 13.25 '#34868e' +O VAL A 1 93 13.00 '#34858f' +CB VAL A 1 93 11.17 '#33809b' +CG1 VAL A 1 93 9.96 '#337da2' +CG2 VAL A 1 93 9.56 '#337ca5' +N ASP A 1 94 14.02 '#348889' +CA ASP A 1 94 14.39 '#348987' +C ASP A 1 94 15.29 '#348c81' +O ASP A 1 94 14.47 '#348a86' +CB ASP A 1 94 16.70 '#349078' +CG ASP A 1 94 20.44 '#349b61' +OD1 ASP A 1 94 18.37 '#34956e' +OD2 ASP A 1 94 23.33 '#34a34f' +N PRO A 1 95 16.63 '#349079' +CA PRO A 1 95 17.86 '#349371' +C PRO A 1 95 18.13 '#34946f' +O PRO A 1 95 18.21 '#34946f' +CB PRO A 1 95 17.02 '#349176' +CG PRO A 1 95 16.25 '#348f7b' +CD PRO A 1 95 16.77 '#349078' +N VAL A 1 96 18.76 '#34966b' +CA VAL A 1 96 19.49 '#349867' +C VAL A 1 96 19.48 '#349867' +O VAL A 1 96 20.93 '#349c5e' +CB VAL A 1 96 21.89 '#349f58' +CG1 VAL A 1 96 23.94 '#34a44b' +CG2 VAL A 1 96 19.38 '#349868' +N ASN A 1 97 18.13 '#34946f' +CA ASN A 1 97 16.11 '#348e7c' +C ASN A 1 97 15.85 '#348e7e' +O ASN A 1 97 15.79 '#348d7e' +CB ASN A 1 97 14.34 '#348987' +CG ASN A 1 97 15.62 '#348d7f' +OD1 ASN A 1 97 14.46 '#348a86' +ND2 ASN A 1 97 12.49 '#338493' +N PHE A 1 98 15.34 '#348c81' +CA PHE A 1 98 14.47 '#348a86' +C PHE A 1 98 13.33 '#34868d' +O PHE A 1 98 12.82 '#348591' +CB PHE A 1 98 12.42 '#338493' +CG PHE A 1 98 14.84 '#348b84' +CD1 PHE A 1 98 13.79 '#34888a' +CD2 PHE A 1 98 13.19 '#34868e' +CE1 PHE A 1 98 15.02 '#348b83' +CE2 PHE A 1 98 11.87 '#338296' +CZ PHE A 1 98 14.38 '#348987' +N LYS A 1 99 13.18 '#34868e' +CA LYS A 1 99 14.63 '#348a85' +C LYS A 1 99 13.95 '#348889' +O LYS A 1 99 13.93 '#34888a' +CB LYS A 1 99 20.30 '#349a62' +CG LYS A 1 99 31.02 '#64bc34' +CD LYS A 1 99 40.23 '#acdd1a' +CE LYS A 1 99 45.94 '#d9f00b' +NZ LYS A 1 99 48.89 '#f0fb03' +N LEU A 1 100 12.62 '#348492' +CA LEU A 1 100 10.98 '#33809c' +C LEU A 1 100 10.98 '#33809c' +O LEU A 1 100 10.28 '#337ea0' +CB LEU A 1 100 7.64 '#3376b1' +CG LEU A 1 100 9.87 '#337da3' +CD1 LEU A 1 100 9.99 '#337da2' +CD2 LEU A 1 100 11.29 '#33819a' +N LEU A 1 101 9.65 '#337ca4' +CA LEU A 1 101 8.56 '#3379ab' +C LEU A 1 101 9.60 '#337ca5' +O LEU A 1 101 9.39 '#337ba6' +CB LEU A 1 101 5.22 '#336fc0' +CG LEU A 1 101 7.33 '#3375b3' +CD1 LEU A 1 101 4.83 '#336ec2' +CD2 LEU A 1 101 8.12 '#3378ae' +N SER A 1 102 10.47 '#337e9f' +CA SER A 1 102 10.66 '#337f9e' +C SER A 1 102 11.50 '#338199' +O SER A 1 102 11.72 '#338297' +CB SER A 1 102 7.88 '#3377af' +OG SER A 1 102 11.13 '#33809b' +N HIS A 1 103 10.47 '#337e9f' +CA HIS A 1 103 10.82 '#337f9d' +C HIS A 1 103 11.65 '#338298' +O HIS A 1 103 11.31 '#33819a' +CB HIS A 1 103 5.50 '#3370be' +CG HIS A 1 103 8.12 '#3378ae' +ND1 HIS A 1 103 7.19 '#3375b4' +CD2 HIS A 1 103 7.07 '#3375b4' +CE1 HIS A 1 103 7.64 '#3376b1' +NE2 HIS A 1 103 7.04 '#3374b5' +N SER A 1 104 12.34 '#338493' +CA SER A 1 104 13.08 '#34868f' +C SER A 1 104 12.64 '#348492' +O SER A 1 104 10.74 '#337f9d' +CB SER A 1 104 14.04 '#348889' +OG SER A 1 104 15.97 '#348e7d' +N LEU A 1 105 12.34 '#338493' +CA LEU A 1 105 14.17 '#348988' +C LEU A 1 105 13.53 '#34878c' +O LEU A 1 105 14.39 '#348987' +CB LEU A 1 105 20.61 '#349b60' +CG LEU A 1 105 26.71 '#42ad40' +CD1 LEU A 1 105 26.45 '#40ad40' +CD2 LEU A 1 105 30.72 '#61bb35' +N LEU A 1 106 12.45 '#338493' +CA LEU A 1 106 12.07 '#338395' +C LEU A 1 106 11.09 '#33809b' +O LEU A 1 106 10.71 '#337f9e' +CB LEU A 1 106 10.54 '#337e9f' +CG LEU A 1 106 12.13 '#338395' +CD1 LEU A 1 106 7.20 '#3375b4' +CD2 LEU A 1 106 13.89 '#34888a' +N VAL A 1 107 10.95 '#33809c' +CA VAL A 1 107 10.45 '#337e9f' +C VAL A 1 107 10.96 '#33809c' +O VAL A 1 107 11.45 '#338199' +CB VAL A 1 107 8.99 '#337aa8' +CG1 VAL A 1 107 7.55 '#3376b1' +CG2 VAL A 1 107 7.71 '#3376b0' +N THR A 1 108 10.42 '#337e9f' +CA THR A 1 108 11.07 '#33809b' +C THR A 1 108 12.28 '#338394' +O THR A 1 108 11.92 '#338296' +CB THR A 1 108 8.73 '#3379aa' +OG1 THR A 1 108 8.11 '#3378ae' +CG2 THR A 1 108 6.38 '#3373b9' +N LEU A 1 109 12.39 '#338493' +CA LEU A 1 109 13.21 '#34868e' +C LEU A 1 109 13.65 '#34878b' +O LEU A 1 109 14.20 '#348988' +CB LEU A 1 109 13.14 '#34868f' +CG LEU A 1 109 13.04 '#34868f' +CD1 LEU A 1 109 14.30 '#348987' +CD2 LEU A 1 109 13.67 '#34878b' +N ALA A 1 110 14.43 '#348986' +CA ALA A 1 110 16.29 '#348f7b' +C ALA A 1 110 17.45 '#349274' +O ALA A 1 110 18.46 '#34956d' +CB ALA A 1 110 16.13 '#348e7c' +N SER A 1 111 16.97 '#349177' +CA SER A 1 111 18.16 '#34946f' +C SER A 1 111 18.84 '#34966b' +O SER A 1 111 20.83 '#349c5f' +CB SER A 1 111 14.45 '#348a86' +OG SER A 1 111 17.89 '#349371' +N HIS A 1 112 17.85 '#349371' +CA HIS A 1 112 18.49 '#34956d' +C HIS A 1 112 18.86 '#34966b' +O HIS A 1 112 19.49 '#349867' +CB HIS A 1 112 18.61 '#34956c' +CG HIS A 1 112 20.09 '#349a63' +ND1 HIS A 1 112 21.39 '#349d5b' +CD2 HIS A 1 112 19.28 '#349768' +CE1 HIS A 1 112 21.06 '#349c5d' +NE2 HIS A 1 112 19.72 '#349965' +N LEU A 1 113 17.93 '#349371' +CA LEU A 1 113 18.93 '#34966a' +C LEU A 1 113 17.58 '#349273' +O LEU A 1 113 18.26 '#34946f' +CB LEU A 1 113 21.62 '#349e5a' +CG LEU A 1 113 24.87 '#34a745' +CD1 LEU A 1 113 24.78 '#34a746' +CD2 LEU A 1 113 25.32 '#37a944' +N PRO A 1 114 16.95 '#349177' +CA PRO A 1 114 17.82 '#349371' +C PRO A 1 114 18.29 '#34946e' +O PRO A 1 114 19.15 '#349769' +CB PRO A 1 114 17.13 '#349176' +CG PRO A 1 114 16.39 '#348f7a' +CD PRO A 1 114 16.06 '#348e7c' +N SER A 1 115 19.65 '#349866' +CA SER A 1 115 22.30 '#34a055' +C SER A 1 115 22.44 '#34a054' +O SER A 1 115 24.08 '#34a54a' +CB SER A 1 115 25.04 '#35a844' +OG SER A 1 115 31.04 '#64bd34' +N ASP A 1 116 21.13 '#349d5d' +CA ASP A 1 116 20.82 '#349c5f' +C ASP A 1 116 19.20 '#349769' +O ASP A 1 116 17.91 '#349371' +CB ASP A 1 116 25.57 '#39a943' +CG ASP A 1 116 29.26 '#56b639' +OD1 ASP A 1 116 32.95 '#73c32f' +OD2 ASP A 1 116 29.54 '#58b738' +N PHE A 1 117 18.21 '#34946f' +CA PHE A 1 117 16.98 '#349177' +C PHE A 1 117 14.83 '#348b84' +O PHE A 1 117 13.27 '#34868e' +CB PHE A 1 117 17.25 '#349175' +CG PHE A 1 117 18.91 '#34966b' +CD1 PHE A 1 117 18.15 '#34946f' +CD2 PHE A 1 117 20.43 '#349b61' +CE1 PHE A 1 117 18.15 '#34946f' +CE2 PHE A 1 117 19.70 '#349866' +CZ PHE A 1 117 18.36 '#34956e' +N THR A 1 118 12.75 '#348591' +CA THR A 1 118 12.63 '#348492' +C THR A 1 118 12.75 '#348591' +O THR A 1 118 11.76 '#338297' +CB THR A 1 118 11.79 '#338297' +OG1 THR A 1 118 12.04 '#338395' +CG2 THR A 1 118 12.11 '#338395' +N PRO A 1 119 12.10 '#338395' +CA PRO A 1 119 11.47 '#338199' +C PRO A 1 119 10.71 '#337f9e' +O PRO A 1 119 12.42 '#338493' +CB PRO A 1 119 10.93 '#33809c' +CG PRO A 1 119 10.26 '#337ea0' +CD PRO A 1 119 11.39 '#338199' +N ALA A 1 120 9.81 '#337ca3' +CA ALA A 1 120 11.42 '#338199' +C ALA A 1 120 12.79 '#348591' +O ALA A 1 120 12.76 '#348591' +CB ALA A 1 120 8.47 '#3379ac' +N VAL A 1 121 12.67 '#348491' +CA VAL A 1 121 12.27 '#338394' +C VAL A 1 121 11.93 '#338296' +O VAL A 1 121 10.15 '#337da1' +CB VAL A 1 121 12.52 '#348492' +CG1 VAL A 1 121 11.55 '#338198' +CG2 VAL A 1 121 10.91 '#337f9c' +N HIS A 1 122 11.27 '#33819a' +CA HIS A 1 122 12.33 '#338494' +C HIS A 1 122 12.33 '#338494' +O HIS A 1 122 12.54 '#348492' +CB HIS A 1 122 11.50 '#338199' +CG HIS A 1 122 12.22 '#338394' +ND1 HIS A 1 122 11.83 '#338297' +CD2 HIS A 1 122 13.37 '#34868d' +CE1 HIS A 1 122 12.12 '#338395' +NE2 HIS A 1 122 14.45 '#348a86' +N ALA A 1 123 12.50 '#348493' +CA ALA A 1 123 12.32 '#338394' +C ALA A 1 123 12.70 '#348591' +O ALA A 1 123 14.22 '#348988' +CB ALA A 1 123 7.97 '#3377af' +N SER A 1 124 13.26 '#34868e' +CA SER A 1 124 12.41 '#338493' +C SER A 1 124 12.19 '#338394' +O SER A 1 124 13.59 '#34878c' +CB SER A 1 124 13.12 '#34868f' +OG SER A 1 124 14.11 '#348988' +N LEU A 1 125 11.71 '#338297' +CA LEU A 1 125 11.22 '#33809a' +C LEU A 1 125 10.77 '#337f9d' +O LEU A 1 125 11.80 '#338297' +CB LEU A 1 125 10.88 '#337f9d' +CG LEU A 1 125 9.95 '#337da2' +CD1 LEU A 1 125 10.07 '#337da2' +CD2 LEU A 1 125 7.96 '#3377af' +N ASP A 1 126 10.42 '#337e9f' +CA ASP A 1 126 9.23 '#337ba7' +C ASP A 1 126 9.38 '#337ba6' +O ASP A 1 126 9.77 '#337ca4' +CB ASP A 1 126 12.82 '#348591' +CG ASP A 1 126 17.09 '#349176' +OD1 ASP A 1 126 18.98 '#34966a' +OD2 ASP A 1 126 19.72 '#349965' +N LYS A 1 127 9.42 '#337ba6' +CA LYS A 1 127 10.21 '#337da1' +C LYS A 1 127 11.11 '#33809b' +O LYS A 1 127 12.51 '#348492' +CB LYS A 1 127 7.02 '#3374b5' +CG LYS A 1 127 12.26 '#338394' +CD LYS A 1 127 15.51 '#348d80' +CE LYS A 1 127 19.88 '#349964' +NZ LYS A 1 127 18.40 '#34956e' +N PHE A 1 128 10.13 '#337da1' +CA PHE A 1 128 9.22 '#337ba7' +C PHE A 1 128 9.65 '#337ca4' +O PHE A 1 128 9.13 '#337aa8' +CB PHE A 1 128 8.38 '#3378ac' +CG PHE A 1 128 9.13 '#337aa8' +CD1 PHE A 1 128 8.16 '#3378ae' +CD2 PHE A 1 128 7.31 '#3375b3' +CE1 PHE A 1 128 7.84 '#3377b0' +CE2 PHE A 1 128 8.09 '#3377ae' +CZ PHE A 1 128 5.62 '#3370bd' +N LEU A 1 129 9.21 '#337ba7' +CA LEU A 1 129 9.30 '#337ba6' +C LEU A 1 129 9.28 '#337ba7' +O LEU A 1 129 8.67 '#3379aa' +CB LEU A 1 129 7.01 '#3374b5' +CG LEU A 1 129 6.61 '#3373b7' +CD1 LEU A 1 129 4.16 '#336cc7' +CD2 LEU A 1 129 4.46 '#336dc5' +N ALA A 1 130 8.34 '#3378ac' +CA ALA A 1 130 9.20 '#337ba7' +C ALA A 1 130 10.83 '#337f9d' +O ALA A 1 130 12.39 '#338493' +CB ALA A 1 130 6.63 '#3373b7' +N ASN A 1 131 11.17 '#33809b' +CA ASN A 1 131 12.59 '#348492' +C ASN A 1 131 12.73 '#348591' +O ASN A 1 131 11.08 '#33809b' +CB ASN A 1 131 19.99 '#349964' +CG ASN A 1 131 29.04 '#54b639' +OD1 ASN A 1 131 34.47 '#7fc82a' +ND2 ASN A 1 131 33.54 '#77c52d' +N VAL A 1 132 11.92 '#338296' +CA VAL A 1 132 11.96 '#338296' +C VAL A 1 132 11.82 '#338297' +O VAL A 1 132 11.73 '#338297' +CB VAL A 1 132 8.55 '#3379ab' +CG1 VAL A 1 132 7.41 '#3376b2' +CG2 VAL A 1 132 7.82 '#3377b0' +N SER A 1 133 11.31 '#33819a' +CA SER A 1 133 13.50 '#34878c' +C SER A 1 133 13.96 '#348889' +O SER A 1 133 14.51 '#348a86' +CB SER A 1 133 13.55 '#34878c' +OG SER A 1 133 15.34 '#348c81' +N THR A 1 134 14.89 '#348b84' +CA THR A 1 134 14.05 '#348889' +C THR A 1 134 14.21 '#348988' +O THR A 1 134 14.25 '#348988' +CB THR A 1 134 13.03 '#34868f' +OG1 THR A 1 134 14.66 '#348a85' +CG2 THR A 1 134 14.27 '#348987' +N VAL A 1 135 12.15 '#338395' +CA VAL A 1 135 11.39 '#338199' +C VAL A 1 135 11.34 '#33819a' +O VAL A 1 135 12.75 '#348591' +CB VAL A 1 135 11.61 '#338198' +CG1 VAL A 1 135 12.85 '#348590' +CG2 VAL A 1 135 11.68 '#338298' +N LEU A 1 136 10.57 '#337f9f' +CA LEU A 1 136 11.19 '#33809b' +C LEU A 1 136 12.36 '#338493' +O LEU A 1 136 13.60 '#34878c' +CB LEU A 1 136 10.04 '#337da2' +CG LEU A 1 136 12.09 '#338395' +CD1 LEU A 1 136 9.80 '#337ca3' +CD2 LEU A 1 136 9.42 '#337ba6' +N THR A 1 137 12.66 '#348492' +CA THR A 1 137 13.87 '#34888a' +C THR A 1 137 15.59 '#348d7f' +O THR A 1 137 17.45 '#349274' +CB THR A 1 137 13.05 '#34868f' +OG1 THR A 1 137 16.10 '#348e7c' +CG2 THR A 1 137 12.49 '#338493' +N SER A 1 138 16.74 '#349078' +CA SER A 1 138 18.36 '#34956e' +C SER A 1 138 17.69 '#349372' +O SER A 1 138 15.99 '#348e7d' +CB SER A 1 138 17.12 '#349176' +OG SER A 1 138 18.05 '#349470' +N LYS A 1 139 19.41 '#349867' +CA LYS A 1 139 21.98 '#349f57' +C LYS A 1 139 22.77 '#34a152' +O LYS A 1 139 24.55 '#34a647' +CB LYS A 1 139 24.07 '#34a54a' +CG LYS A 1 139 28.86 '#53b53a' +CD LYS A 1 139 30.97 '#63bc34' +CE LYS A 1 139 32.31 '#6ec130' +NZ LYS A 1 139 33.62 '#78c52d' +N TYR A 1 140 21.12 '#349c5d' +CA TYR A 1 140 20.83 '#349c5f' +C TYR A 1 140 21.09 '#349c5d' +O TYR A 1 140 20.99 '#349c5e' +CB TYR A 1 140 18.66 '#34956c' +CG TYR A 1 140 17.50 '#349273' +CD1 TYR A 1 140 16.62 '#349079' +CD2 TYR A 1 140 17.34 '#349274' +CE1 TYR A 1 140 16.86 '#349077' +CE2 TYR A 1 140 16.04 '#348e7c' +CZ TYR A 1 140 16.91 '#349177' +OH TYR A 1 140 18.43 '#34956d' +N ARG A 1 141 21.60 '#349e5a' +CA ARG A 1 141 22.37 '#34a055' +C ARG A 1 141 23.82 '#34a44c' +O ARG A 1 141 24.54 '#34a647' +CB ARG A 1 141 16.90 '#349077' +CG ARG A 1 141 17.03 '#349176' +CD ARG A 1 141 18.90 '#34966b' +NE ARG A 1 141 19.15 '#349769' +CZ ARG A 1 141 19.85 '#349965' +NH1 ARG A 1 141 21.19 '#349d5c' +NH2 ARG A 1 141 20.18 '#349a63' +OXT ARG A 1 141 27.60 '#49b13d' +N MET B 2 1 55.35 '#f6e503' +CA MET B 2 1 55.39 '#f6e503' +C MET B 2 1 54.08 '#f6eb02' +O MET B 2 1 55.36 '#f6e503' +CB MET B 2 1 58.05 '#f4d805' +CG MET B 2 1 59.69 '#f3d006' +SD MET B 2 1 61.28 '#f3c807' +CE MET B 2 1 60.57 '#f3cc07' +N LEU B 2 2 50.43 '#f8fc00' +CA LEU B 2 2 45.73 '#d7f00b' +C LEU B 2 2 43.09 '#c2e613' +O LEU B 2 2 43.80 '#c8e911' +CB LEU B 2 2 43.62 '#c6e811' +CG LEU B 2 2 42.79 '#c0e513' +CD1 LEU B 2 2 41.90 '#b9e216' +CD2 LEU B 2 2 43.36 '#c4e712' +N THR B 2 3 39.72 '#a8db1c' +CA THR B 2 3 35.93 '#8ace26' +C THR B 2 3 33.62 '#78c52d' +O THR B 2 3 33.61 '#78c52d' +CB THR B 2 3 34.62 '#80c92a' +OG1 THR B 2 3 31.55 '#68be32' +CG2 THR B 2 3 34.44 '#7fc82a' +N ALA B 2 4 32.11 '#6cc031' +CA ALA B 2 4 30.85 '#62bc34' +C ALA B 2 4 29.81 '#5ab837' +O ALA B 2 4 30.16 '#5db936' +CB ALA B 2 4 29.07 '#54b639' +N GLU B 2 5 28.68 '#51b43a' +CA GLU B 2 5 27.85 '#4bb13d' +C GLU B 2 5 27.55 '#48b03d' +O GLU B 2 5 26.26 '#3eac41' +CB GLU B 2 5 28.85 '#53b53a' +CG GLU B 2 5 34.85 '#82ca29' +CD GLU B 2 5 37.69 '#98d421' +OE1 GLU B 2 5 41.25 '#b4e018' +OE2 GLU B 2 5 37.66 '#98d422' +N GLU B 2 6 26.39 '#3fac41' +CA GLU B 2 6 25.62 '#39aa43' +C GLU B 2 6 24.71 '#34a746' +O GLU B 2 6 24.60 '#34a647' +CB GLU B 2 6 25.57 '#39a943' +CG GLU B 2 6 27.34 '#47b03e' +CD GLU B 2 6 31.14 '#65bd34' +OE1 GLU B 2 6 32.17 '#6dc031' +OE2 GLU B 2 6 34.58 '#80c92a' +N LYS B 2 7 24.14 '#34a54a' +CA LYS B 2 7 24.72 '#34a746' +C LYS B 2 7 24.44 '#34a648' +O LYS B 2 7 23.18 '#34a250' +CB LYS B 2 7 28.48 '#50b43b' +CG LYS B 2 7 36.67 '#90d024' +CD LYS B 2 7 43.69 '#c7e911' +CE LYS B 2 7 48.73 '#effa03' +NZ LYS B 2 7 49.67 '#f6fd00' +N ALA B 2 8 23.15 '#34a250' +CA ALA B 2 8 22.01 '#349f57' +C ALA B 2 8 22.03 '#349f57' +O ALA B 2 8 22.86 '#34a152' +CB ALA B 2 8 17.90 '#349371' +N ALA B 2 9 19.66 '#349866' +CA ALA B 2 9 17.76 '#349372' +C ALA B 2 9 18.10 '#349470' +O ALA B 2 9 17.73 '#349372' +CB ALA B 2 9 16.29 '#348f7b' +N VAL B 2 10 17.72 '#349372' +CA VAL B 2 10 17.14 '#349176' +C VAL B 2 10 17.13 '#349176' +O VAL B 2 10 17.41 '#349274' +CB VAL B 2 10 16.58 '#349079' +CG1 VAL B 2 10 17.17 '#349175' +CG2 VAL B 2 10 18.25 '#34946f' +N THR B 2 11 17.83 '#349371' +CA THR B 2 11 19.23 '#349769' +C THR B 2 11 20.19 '#349a63' +O THR B 2 11 19.65 '#349866' +CB THR B 2 11 21.76 '#349e59' +OG1 THR B 2 11 26.29 '#3fac41' +CG2 THR B 2 11 23.38 '#34a34f' +N ALA B 2 12 20.52 '#349b60' +CA ALA B 2 12 22.12 '#349f56' +C ALA B 2 12 24.07 '#34a54a' +O ALA B 2 12 25.49 '#38a943' +CB ALA B 2 12 21.52 '#349e5a' +N PHE B 2 13 22.98 '#34a251' +CA PHE B 2 13 22.93 '#34a251' +C PHE B 2 13 22.46 '#34a054' +O PHE B 2 13 21.71 '#349e59' +CB PHE B 2 13 25.43 '#38a943' +CG PHE B 2 13 27.65 '#49b13d' +CD1 PHE B 2 13 29.21 '#56b639' +CD2 PHE B 2 13 28.73 '#52b43a' +CE1 PHE B 2 13 28.37 '#4fb33b' +CE2 PHE B 2 13 29.66 '#59b838' +CZ PHE B 2 13 28.09 '#4db23c' +N TRP B 2 14 22.77 '#34a152' +CA TRP B 2 14 23.62 '#34a44d' +C TRP B 2 14 24.77 '#34a746' +O TRP B 2 14 23.70 '#34a44d' +CB TRP B 2 14 21.30 '#349d5c' +CG TRP B 2 14 20.74 '#349b5f' +CD1 TRP B 2 14 20.21 '#349a62' +CD2 TRP B 2 14 19.82 '#349965' +NE1 TRP B 2 14 19.27 '#349768' +CE2 TRP B 2 14 18.28 '#34946e' +CE3 TRP B 2 14 20.04 '#349963' +CZ2 TRP B 2 14 15.48 '#348c80' +CZ3 TRP B 2 14 20.69 '#349b5f' +CH2 TRP B 2 14 16.40 '#348f7a' +N GLY B 2 15 25.56 '#39a943' +CA GLY B 2 15 27.43 '#48b03e' +C GLY B 2 15 29.89 '#5bb937' +O GLY B 2 15 30.14 '#5db936' +N LYS B 2 16 31.28 '#66bd33' +CA LYS B 2 16 32.12 '#6cc031' +C LYS B 2 16 32.13 '#6cc031' +O LYS B 2 16 32.75 '#71c22f' +CB LYS B 2 16 34.56 '#7fc92a' +CG LYS B 2 16 39.36 '#a5d91d' +CD LYS B 2 16 44.27 '#cceb0f' +CE LYS B 2 16 47.77 '#e7f706' +NZ LYS B 2 16 49.77 '#f7fe00' +N VAL B 2 17 30.84 '#62bc34' +CA VAL B 2 17 28.46 '#50b43b' +C VAL B 2 17 26.28 '#3fac41' +O VAL B 2 17 24.90 '#34a745' +CB VAL B 2 17 26.47 '#40ad40' +CG1 VAL B 2 17 26.11 '#3dab41' +CG2 VAL B 2 17 25.45 '#38a943' +N LYS B 2 18 26.79 '#43ae40' +CA LYS B 2 18 26.94 '#44ae3f' +C LYS B 2 18 26.31 '#3fac41' +O LYS B 2 18 23.85 '#34a44c' +CB LYS B 2 18 30.47 '#5fbb35' +CG LYS B 2 18 35.73 '#89cd27' +CD LYS B 2 18 40.17 '#abdc1b' +CE LYS B 2 18 42.33 '#bce415' +NZ LYS B 2 18 42.47 '#bde414' +N VAL B 2 19 26.93 '#44ae3f' +CA VAL B 2 19 28.53 '#50b43b' +C VAL B 2 19 29.92 '#5bb937' +O VAL B 2 19 30.73 '#61bb35' +CB VAL B 2 19 29.98 '#5cb937' +CG1 VAL B 2 19 30.89 '#63bc34' +CG2 VAL B 2 19 27.37 '#47b03e' +N ASP B 2 20 30.65 '#61bb35' +CA ASP B 2 20 31.96 '#6bc031' +C ASP B 2 20 32.31 '#6ec130' +O ASP B 2 20 32.65 '#70c22f' +CB ASP B 2 20 34.67 '#80c92a' +CG ASP B 2 20 39.55 '#a7da1c' +OD1 ASP B 2 20 39.39 '#a5da1d' +OD2 ASP B 2 20 47.35 '#e4f507' +N GLU B 2 21 30.65 '#61bb35' +CA GLU B 2 21 28.41 '#4fb33b' +C GLU B 2 21 25.77 '#3baa42' +O GLU B 2 21 25.08 '#35a844' +CB GLU B 2 21 32.09 '#6cc031' +CG GLU B 2 21 38.79 '#a1d71e' +CD GLU B 2 21 42.63 '#bfe514' +OE1 GLU B 2 21 47.39 '#e4f507' +OE2 GLU B 2 21 42.65 '#bfe514' +N VAL B 2 22 22.89 '#34a252' +CA VAL B 2 22 20.72 '#349b5f' +C VAL B 2 22 19.27 '#349768' +O VAL B 2 22 18.16 '#34946f' +CB VAL B 2 22 17.97 '#349470' +CG1 VAL B 2 22 18.43 '#34956d' +CG2 VAL B 2 22 16.71 '#349078' +N GLY B 2 23 18.03 '#349470' +CA GLY B 2 23 17.10 '#349176' +C GLY B 2 23 17.50 '#349273' +O GLY B 2 23 16.05 '#348e7c' +N GLY B 2 24 17.09 '#349176' +CA GLY B 2 24 15.94 '#348e7d' +C GLY B 2 24 16.33 '#348f7b' +O GLY B 2 24 17.19 '#349175' +N GLU B 2 25 15.32 '#348c81' +CA GLU B 2 25 14.64 '#348a85' +C GLU B 2 25 14.41 '#348987' +O GLU B 2 25 15.28 '#348c81' +CB GLU B 2 25 11.40 '#338199' +CG GLU B 2 25 15.99 '#348e7d' +CD GLU B 2 25 19.41 '#349867' +OE1 GLU B 2 25 19.25 '#349768' +OE2 GLU B 2 25 21.82 '#349e58' +N ALA B 2 26 13.09 '#34868f' +CA ALA B 2 26 13.06 '#34868f' +C ALA B 2 26 14.08 '#348889' +O ALA B 2 26 15.18 '#348c82' +CB ALA B 2 26 9.51 '#337ca5' +N LEU B 2 27 13.29 '#34868e' +CA LEU B 2 27 13.33 '#34868d' +C LEU B 2 27 12.55 '#348492' +O LEU B 2 27 13.06 '#34868f' +CB LEU B 2 27 11.59 '#338198' +CG LEU B 2 27 12.09 '#338395' +CD1 LEU B 2 27 13.96 '#348889' +CD2 LEU B 2 27 12.51 '#348492' +N GLY B 2 28 10.83 '#337f9d' +CA GLY B 2 28 10.39 '#337ea0' +C GLY B 2 28 12.81 '#348591' +O GLY B 2 28 14.25 '#348988' +N ARG B 2 29 12.31 '#338394' +CA ARG B 2 29 12.95 '#348590' +C ARG B 2 29 13.26 '#34868e' +O ARG B 2 29 12.88 '#348590' +CB ARG B 2 29 11.49 '#338199' +CG ARG B 2 29 10.38 '#337ea0' +CD ARG B 2 29 9.11 '#337aa8' +NE ARG B 2 29 9.56 '#337ca5' +CZ ARG B 2 29 10.15 '#337da1' +NH1 ARG B 2 29 10.60 '#337f9e' +NH2 ARG B 2 29 12.01 '#338396' +N LEU B 2 30 11.09 '#33809b' +CA LEU B 2 30 10.24 '#337ea1' +C LEU B 2 30 9.71 '#337ca4' +O LEU B 2 30 8.63 '#3379ab' +CB LEU B 2 30 9.63 '#337ca4' +CG LEU B 2 30 11.95 '#338296' +CD1 LEU B 2 30 12.41 '#338493' +CD2 LEU B 2 30 10.65 '#337f9e' +N LEU B 2 31 9.79 '#337ca3' +CA LEU B 2 31 11.42 '#338199' +C LEU B 2 31 12.43 '#338493' +O LEU B 2 31 12.87 '#348590' +CB LEU B 2 31 13.41 '#34878d' +CG LEU B 2 31 16.45 '#348f7a' +CD1 LEU B 2 31 15.75 '#348d7e' +CD2 LEU B 2 31 18.59 '#34956c' +N VAL B 2 32 13.27 '#34868e' +CA VAL B 2 32 12.03 '#338395' +C VAL B 2 32 13.30 '#34868e' +O VAL B 2 32 15.70 '#348d7f' +CB VAL B 2 32 10.48 '#337e9f' +CG1 VAL B 2 32 9.62 '#337ca4' +CG2 VAL B 2 32 10.70 '#337f9e' +N VAL B 2 33 12.53 '#348492' +CA VAL B 2 33 12.03 '#338395' +C VAL B 2 33 13.04 '#34868f' +O VAL B 2 33 15.56 '#348d7f' +CB VAL B 2 33 10.88 '#337f9d' +CG1 VAL B 2 33 8.12 '#3378ae' +CG2 VAL B 2 33 9.85 '#337ca3' +N TYR B 2 34 12.23 '#338394' +CA TYR B 2 34 13.41 '#34878d' +C TYR B 2 34 14.08 '#348889' +O TYR B 2 34 14.51 '#348a86' +CB TYR B 2 34 12.90 '#348590' +CG TYR B 2 34 17.76 '#349372' +CD1 TYR B 2 34 16.70 '#349078' +CD2 TYR B 2 34 16.83 '#349077' +CE1 TYR B 2 34 18.03 '#349470' +CE2 TYR B 2 34 17.72 '#349372' +CZ TYR B 2 34 20.97 '#349c5e' +OH TYR B 2 34 25.29 '#37a944' +N PRO B 2 35 15.79 '#348d7e' +CA PRO B 2 35 15.99 '#348e7d' +C PRO B 2 35 17.30 '#349275' +O PRO B 2 35 18.50 '#34956d' +CB PRO B 2 35 15.09 '#348b82' +CG PRO B 2 35 14.84 '#348b84' +CD PRO B 2 35 14.06 '#348889' +N TRP B 2 36 16.96 '#349177' +CA TRP B 2 36 17.33 '#349274' +C TRP B 2 36 17.55 '#349273' +O TRP B 2 36 18.75 '#34966c' +CB TRP B 2 36 14.13 '#348988' +CG TRP B 2 36 14.94 '#348b83' +CD1 TRP B 2 36 15.68 '#348d7f' +CD2 TRP B 2 36 16.28 '#348f7b' +NE1 TRP B 2 36 16.77 '#349078' +CE2 TRP B 2 36 18.12 '#34946f' +CE3 TRP B 2 36 16.41 '#348f7a' +CZ2 TRP B 2 36 18.93 '#34966a' +CZ3 TRP B 2 36 15.48 '#348c80' +CH2 TRP B 2 36 18.32 '#34956e' +N THR B 2 37 16.25 '#348f7b' +CA THR B 2 37 15.44 '#348c80' +C THR B 2 37 17.21 '#349175' +O THR B 2 37 15.50 '#348d80' +CB THR B 2 37 13.74 '#34888b' +OG1 THR B 2 37 11.01 '#33809c' +CG2 THR B 2 37 9.27 '#337ba7' +N GLN B 2 38 17.33 '#349274' +CA GLN B 2 38 18.07 '#349470' +C GLN B 2 38 18.06 '#349470' +O GLN B 2 38 17.08 '#349176' +CB GLN B 2 38 17.30 '#349275' +CG GLN B 2 38 16.52 '#348f79' +CD GLN B 2 38 20.81 '#349c5f' +OE1 GLN B 2 38 21.73 '#349e59' +NE2 GLN B 2 38 18.48 '#34956d' +N ARG B 2 39 17.61 '#349373' +CA ARG B 2 39 19.30 '#349768' +C ARG B 2 39 20.38 '#349a61' +O ARG B 2 39 20.60 '#349b60' +CB ARG B 2 39 18.55 '#34956d' +CG ARG B 2 39 22.66 '#34a153' +CD ARG B 2 39 25.05 '#35a844' +NE ARG B 2 39 26.34 '#3fac41' +CZ ARG B 2 39 27.28 '#46af3e' +NH1 ARG B 2 39 25.69 '#3aaa43' +NH2 ARG B 2 39 26.74 '#42ae40' +N PHE B 2 40 19.31 '#349768' +CA PHE B 2 40 18.56 '#34956d' +C PHE B 2 40 20.41 '#349a61' +O PHE B 2 40 19.68 '#349866' +CB PHE B 2 40 13.97 '#348889' +CG PHE B 2 40 13.94 '#34888a' +CD1 PHE B 2 40 14.65 '#348a85' +CD2 PHE B 2 40 12.76 '#348591' +CE1 PHE B 2 40 12.38 '#338493' +CE2 PHE B 2 40 14.84 '#348b84' +CZ PHE B 2 40 14.15 '#348988' +N PHE B 2 41 21.91 '#349f58' +CA PHE B 2 41 23.55 '#34a34e' +C PHE B 2 41 25.30 '#37a944' +O PHE B 2 41 24.65 '#34a747' +CB PHE B 2 41 22.27 '#34a056' +CG PHE B 2 41 22.07 '#349f57' +CD1 PHE B 2 41 19.31 '#349768' +CD2 PHE B 2 41 20.84 '#349c5e' +CE1 PHE B 2 41 18.66 '#34956c' +CE2 PHE B 2 41 18.99 '#34966a' +CZ PHE B 2 41 17.93 '#349371' +N GLU B 2 42 28.70 '#52b43a' +CA GLU B 2 42 32.69 '#71c22f' +C GLU B 2 42 32.26 '#6dc130' +O GLU B 2 42 31.52 '#68be33' +CB GLU B 2 42 39.30 '#a5d91d' +CG GLU B 2 42 45.16 '#d3ee0d' +CD GLU B 2 42 49.98 '#f8fe00' +OE1 GLU B 2 42 51.02 '#f8fa00' +OE2 GLU B 2 42 50.22 '#f8fd00' +N SER B 2 43 32.19 '#6dc131' +CA SER B 2 43 33.07 '#74c42e' +C SER B 2 43 33.18 '#75c42e' +O SER B 2 43 33.76 '#79c62c' +CB SER B 2 43 32.45 '#6fc130' +OG SER B 2 43 33.89 '#7ac62c' +N PHE B 2 44 31.37 '#66be33' +CA PHE B 2 44 29.77 '#5ab837' +C PHE B 2 44 29.62 '#59b838' +O PHE B 2 44 30.41 '#5fba36' +CB PHE B 2 44 29.40 '#57b738' +CG PHE B 2 44 28.26 '#4eb33c' +CD1 PHE B 2 44 28.29 '#4eb33b' +CD2 PHE B 2 44 27.61 '#49b13d' +CE1 PHE B 2 44 27.86 '#4bb13d' +CE2 PHE B 2 44 27.61 '#49b13d' +CZ PHE B 2 44 27.93 '#4bb23c' +N GLY B 2 45 29.45 '#57b738' +CA GLY B 2 45 31.04 '#64bd34' +C GLY B 2 45 32.82 '#72c32f' +O GLY B 2 45 33.17 '#75c42e' +N ASP B 2 46 33.97 '#7bc72c' +CA ASP B 2 46 36.30 '#8dcf25' +C ASP B 2 46 35.62 '#88cc27' +O ASP B 2 46 36.27 '#8dcf25' +CB ASP B 2 46 42.50 '#bee414' +CG ASP B 2 46 45.84 '#d8f00b' +OD1 ASP B 2 46 45.39 '#d4ee0c' +OD2 ASP B 2 46 47.50 '#e5f606' +N LEU B 2 47 35.52 '#87cc27' +CA LEU B 2 47 35.70 '#88cd27' +C LEU B 2 47 36.36 '#8ecf25' +O LEU B 2 47 35.20 '#84cb28' +CB LEU B 2 47 31.68 '#69bf32' +CG LEU B 2 47 29.63 '#59b838' +CD1 LEU B 2 47 27.53 '#48b03e' +CD2 LEU B 2 47 27.09 '#45af3f' +N SER B 2 48 38.11 '#9bd520' +CA SER B 2 48 39.25 '#a4d91d' +C SER B 2 48 38.00 '#9ad521' +O SER B 2 48 37.62 '#97d322' +CB SER B 2 48 42.43 '#bde414' +OG SER B 2 48 45.24 '#d3ee0d' +N THR B 2 49 36.89 '#92d124' +CA THR B 2 49 34.49 '#7fc92a' +C THR B 2 49 32.47 '#6fc130' +O THR B 2 49 31.82 '#6abf32' +CB THR B 2 49 34.26 '#7dc82b' +OG1 THR B 2 49 32.50 '#6fc230' +CG2 THR B 2 49 35.28 '#85cb28' +N ALA B 2 50 30.89 '#63bc34' +CA ALA B 2 50 30.61 '#60bb35' +C ALA B 2 50 30.87 '#63bc34' +O ALA B 2 50 30.45 '#5fba35' +CB ALA B 2 50 30.70 '#61bb35' +N ASP B 2 51 31.99 '#6bc031' +CA ASP B 2 51 32.71 '#71c22f' +C ASP B 2 51 30.56 '#60bb35' +O ASP B 2 51 30.30 '#5eba36' +CB ASP B 2 51 39.73 '#a8db1c' +CG ASP B 2 51 45.67 '#d7ef0b' +OD1 ASP B 2 51 50.17 '#f8fe00' +OD2 ASP B 2 51 47.50 '#e5f606' +N ALA B 2 52 28.49 '#50b43b' +CA ALA B 2 52 27.58 '#49b03d' +C ALA B 2 52 27.15 '#45af3f' +O ALA B 2 52 26.73 '#42ae40' +CB ALA B 2 52 26.20 '#3eac41' +N VAL B 2 53 26.06 '#3dab42' +CA VAL B 2 53 23.51 '#34a34e' +C VAL B 2 53 22.13 '#349f56' +O VAL B 2 53 20.50 '#349b61' +CB VAL B 2 53 21.10 '#349c5d' +CG1 VAL B 2 53 19.46 '#349867' +CG2 VAL B 2 53 17.00 '#349176' +N MET B 2 54 21.98 '#349f57' +CA MET B 2 54 23.41 '#34a34e' +C MET B 2 54 25.44 '#38a943' +O MET B 2 54 26.98 '#44ae3f' +CB MET B 2 54 22.29 '#34a055' +CG MET B 2 54 19.65 '#349866' +SD MET B 2 54 20.38 '#349a61' +CE MET B 2 54 18.60 '#34956c' +N ASN B 2 55 25.48 '#38a943' +CA ASN B 2 55 26.74 '#42ae40' +C ASN B 2 55 26.88 '#43ae3f' +O ASN B 2 55 28.09 '#4db23c' +CB ASN B 2 55 29.59 '#58b738' +CG ASN B 2 55 32.64 '#70c22f' +OD1 ASN B 2 55 35.48 '#87cc28' +ND2 ASN B 2 55 33.76 '#79c62c' +N ASN B 2 56 25.23 '#36a844' +CA ASN B 2 56 22.92 '#34a251' +C ASN B 2 56 22.93 '#34a251' +O ASN B 2 56 24.29 '#34a549' +CB ASN B 2 56 19.71 '#349866' +CG ASN B 2 56 18.43 '#34956d' +OD1 ASN B 2 56 20.00 '#349964' +ND2 ASN B 2 56 20.88 '#349c5e' +N PRO B 2 57 23.00 '#34a251' +CA PRO B 2 57 22.59 '#34a154' +C PRO B 2 57 21.53 '#349e5a' +O PRO B 2 57 19.77 '#349965' +CB PRO B 2 57 22.97 '#34a251' +CG PRO B 2 57 24.09 '#34a54a' +CD PRO B 2 57 23.76 '#34a44c' +N LYS B 2 58 22.51 '#34a054' +CA LYS B 2 58 23.72 '#34a44c' +C LYS B 2 58 22.21 '#34a056' +O LYS B 2 58 21.74 '#349e59' +CB LYS B 2 58 27.69 '#4ab13d' +CG LYS B 2 58 32.52 '#6fc230' +CD LYS B 2 58 40.00 '#aadc1b' +CE LYS B 2 58 46.08 '#daf10a' +NZ LYS B 2 58 47.09 '#e2f408' +N VAL B 2 59 21.59 '#349e5a' +CA VAL B 2 59 22.10 '#349f57' +C VAL B 2 59 22.37 '#34a055' +O VAL B 2 59 21.91 '#349f58' +CB VAL B 2 59 22.86 '#34a152' +CG1 VAL B 2 59 19.92 '#349964' +CG2 VAL B 2 59 24.96 '#34a745' +N LYS B 2 60 22.92 '#34a251' +CA LYS B 2 60 23.91 '#34a44b' +C LYS B 2 60 22.79 '#34a152' +O LYS B 2 60 23.13 '#34a250' +CB LYS B 2 60 30.81 '#62bc34' +CG LYS B 2 60 37.79 '#99d421' +CD LYS B 2 60 44.35 '#cceb0f' +CE LYS B 2 60 49.35 '#f3fc01' +NZ LYS B 2 60 51.99 '#f7f501' +N ALA B 2 61 19.76 '#349965' +CA ALA B 2 61 19.16 '#349769' +C ALA B 2 61 20.04 '#349963' +O ALA B 2 61 19.77 '#349965' +CB ALA B 2 61 17.53 '#349273' +N HIS B 2 62 19.00 '#34966a' +CA HIS B 2 62 18.20 '#34946f' +C HIS B 2 62 16.98 '#349177' +O HIS B 2 62 16.62 '#349079' +CB HIS B 2 62 16.40 '#348f7a' +CG HIS B 2 62 18.99 '#34966a' +ND1 HIS B 2 62 18.15 '#34946f' +CD2 HIS B 2 62 17.95 '#349370' +CE1 HIS B 2 62 15.59 '#348d7f' +NE2 HIS B 2 62 16.96 '#349177' +N GLY B 2 63 14.95 '#348b83' +CA GLY B 2 63 14.38 '#348987' +C GLY B 2 63 15.55 '#348d7f' +O GLY B 2 63 14.53 '#348a86' +N LYS B 2 64 17.47 '#349273' +CA LYS B 2 64 18.71 '#34966c' +C LYS B 2 64 18.08 '#349470' +O LYS B 2 64 17.10 '#349176' +CB LYS B 2 64 19.91 '#349964' +CG LYS B 2 64 25.37 '#37a943' +CD LYS B 2 64 31.04 '#64bd34' +CE LYS B 2 64 31.67 '#69bf32' +NZ LYS B 2 64 35.98 '#8bce26' +N LYS B 2 65 17.55 '#349273' +CA LYS B 2 65 18.59 '#34956c' +C LYS B 2 65 18.00 '#349470' +O LYS B 2 65 17.27 '#349275' +CB LYS B 2 65 21.18 '#349d5c' +CG LYS B 2 65 21.71 '#349e59' +CD LYS B 2 65 23.51 '#34a34e' +CE LYS B 2 65 25.58 '#39aa43' +NZ LYS B 2 65 26.68 '#42ad40' +N VAL B 2 66 17.22 '#349175' +CA VAL B 2 66 15.29 '#348c81' +C VAL B 2 66 15.02 '#348b83' +O VAL B 2 66 14.73 '#348a85' +CB VAL B 2 66 15.40 '#348c80' +CG1 VAL B 2 66 12.48 '#338493' +CG2 VAL B 2 66 13.32 '#34868d' +N LEU B 2 67 13.40 '#34878d' +CA LEU B 2 67 13.10 '#34868f' +C LEU B 2 67 14.02 '#348889' +O LEU B 2 67 13.05 '#34868f' +CB LEU B 2 67 14.13 '#348988' +CG LEU B 2 67 14.43 '#348986' +CD1 LEU B 2 67 15.57 '#348d7f' +CD2 LEU B 2 67 19.04 '#34976a' +N ASP B 2 68 16.34 '#348f7b' +CA ASP B 2 68 17.12 '#349176' +C ASP B 2 68 15.34 '#348c81' +O ASP B 2 68 16.30 '#348f7b' +CB ASP B 2 68 22.99 '#34a251' +CG ASP B 2 68 30.38 '#5fba36' +OD1 ASP B 2 68 29.81 '#5ab837' +OD2 ASP B 2 68 34.32 '#7ec82b' +N SER B 2 69 14.52 '#348a86' +CA SER B 2 69 14.45 '#348a86' +C SER B 2 69 14.27 '#348987' +O SER B 2 69 14.70 '#348a85' +CB SER B 2 69 14.31 '#348987' +OG SER B 2 69 16.92 '#349177' +N PHE B 2 70 13.43 '#34878d' +CA PHE B 2 70 14.97 '#348b83' +C PHE B 2 70 16.48 '#348f7a' +O PHE B 2 70 16.41 '#348f7a' +CB PHE B 2 70 13.78 '#34888b' +CG PHE B 2 70 17.09 '#349176' +CD1 PHE B 2 70 18.80 '#34966b' +CD2 PHE B 2 70 18.00 '#349470' +CE1 PHE B 2 70 16.43 '#348f7a' +CE2 PHE B 2 70 18.95 '#34966a' +CZ PHE B 2 70 16.45 '#348f7a' +N SER B 2 71 16.62 '#349079' +CA SER B 2 71 18.72 '#34966c' +C SER B 2 71 20.59 '#349b60' +O SER B 2 71 20.62 '#349b60' +CB SER B 2 71 18.63 '#34956c' +OG SER B 2 71 22.47 '#34a054' +N ASN B 2 72 22.65 '#34a153' +CA ASN B 2 72 24.86 '#34a745' +C ASN B 2 72 24.49 '#34a648' +O ASN B 2 72 25.68 '#3aaa43' +CB ASN B 2 72 31.66 '#69bf32' +CG ASN B 2 72 36.80 '#91d124' +OD1 ASN B 2 72 36.53 '#8fd025' +ND2 ASN B 2 72 39.77 '#a8db1c' +N GLY B 2 73 23.79 '#34a44c' +CA GLY B 2 73 23.49 '#34a34e' +C GLY B 2 73 22.45 '#34a054' +O GLY B 2 73 21.36 '#349d5b' +N MET B 2 74 22.63 '#34a153' +CA MET B 2 74 24.62 '#34a647' +C MET B 2 74 26.79 '#43ae40' +O MET B 2 74 27.59 '#49b13d' +CB MET B 2 74 21.33 '#349d5b' +CG MET B 2 74 22.59 '#34a154' +SD MET B 2 74 26.96 '#44ae3f' +CE MET B 2 74 25.46 '#38a943' +N LYS B 2 75 27.96 '#4cb23c' +CA LYS B 2 75 29.33 '#56b739' +C LYS B 2 75 29.80 '#5ab837' +O LYS B 2 75 31.13 '#65bd34' +CB LYS B 2 75 32.54 '#70c230' +CG LYS B 2 75 36.62 '#90d024' +CD LYS B 2 75 42.09 '#bae315' +CE LYS B 2 75 46.13 '#daf10a' +NZ LYS B 2 75 45.83 '#d8f00b' +N HIS B 2 76 29.42 '#57b738' +CA HIS B 2 76 28.68 '#51b43a' +C HIS B 2 76 27.66 '#49b13d' +O HIS B 2 76 25.40 '#38a943' +CB HIS B 2 76 33.50 '#77c52d' +CG HIS B 2 76 37.27 '#95d223' +ND1 HIS B 2 76 39.67 '#a8db1c' +CD2 HIS B 2 76 37.64 '#98d322' +CE1 HIS B 2 76 39.27 '#a4d91d' +NE2 HIS B 2 76 39.90 '#a9db1b' +N LEU B 2 77 29.04 '#54b639' +CA LEU B 2 77 31.68 '#69bf32' +C LEU B 2 77 33.21 '#75c42e' +O LEU B 2 77 33.38 '#76c52d' +CB LEU B 2 77 30.64 '#61bb35' +CG LEU B 2 77 31.83 '#6abf32' +CD1 LEU B 2 77 33.13 '#74c42e' +CD2 LEU B 2 77 30.48 '#5fbb35' +N ASP B 2 78 34.93 '#82ca29' +CA ASP B 2 78 36.13 '#8cce26' +C ASP B 2 78 35.11 '#84cb29' +O ASP B 2 78 36.43 '#8ecf25' +CB ASP B 2 78 41.31 '#b4e017' +CG ASP B 2 78 46.12 '#daf10a' +OD1 ASP B 2 78 45.71 '#d7f00b' +OD2 ASP B 2 78 49.01 '#f1fb02' +N ASP B 2 79 32.14 '#6cc031' +CA ASP B 2 79 30.20 '#5dba36' +C ASP B 2 79 28.06 '#4cb23c' +O ASP B 2 79 28.27 '#4eb33b' +CB ASP B 2 79 32.76 '#71c32f' +CG ASP B 2 79 35.27 '#85cb28' +OD1 ASP B 2 79 35.85 '#8acd27' +OD2 ASP B 2 79 36.03 '#8bce26' +N LEU B 2 80 25.72 '#3aaa43' +CA LEU B 2 80 22.81 '#34a152' +C LEU B 2 80 21.39 '#349d5b' +O LEU B 2 80 21.61 '#349e5a' +CB LEU B 2 80 20.16 '#349a63' +CG LEU B 2 80 18.44 '#34956d' +CD1 LEU B 2 80 19.55 '#349867' +CD2 LEU B 2 80 15.09 '#348b82' +N LYS B 2 81 21.86 '#349f58' +CA LYS B 2 81 23.41 '#34a34e' +C LYS B 2 81 22.86 '#34a152' +O LYS B 2 81 23.51 '#34a34e' +CB LYS B 2 81 26.07 '#3dab42' +CG LYS B 2 81 32.74 '#71c22f' +CD LYS B 2 81 38.01 '#9ad521' +CE LYS B 2 81 44.26 '#cbeb0f' +NZ LYS B 2 81 48.30 '#ebf904' +N GLY B 2 82 21.96 '#349f57' +CA GLY B 2 82 21.15 '#349d5d' +C GLY B 2 82 20.57 '#349b60' +O GLY B 2 82 21.11 '#349c5d' +N THR B 2 83 19.59 '#349866' +CA THR B 2 83 20.60 '#349b60' +C THR B 2 83 20.27 '#349a62' +O THR B 2 83 20.73 '#349b5f' +CB THR B 2 83 20.96 '#349c5e' +OG1 THR B 2 83 21.22 '#349d5c' +CG2 THR B 2 83 21.35 '#349d5b' +N PHE B 2 84 19.19 '#349769' +CA PHE B 2 84 19.53 '#349867' +C PHE B 2 84 18.77 '#34966b' +O PHE B 2 84 18.06 '#349470' +CB PHE B 2 84 20.59 '#349b60' +CG PHE B 2 84 23.07 '#34a251' +CD1 PHE B 2 84 24.19 '#34a54a' +CD2 PHE B 2 84 22.48 '#34a054' +CE1 PHE B 2 84 22.65 '#34a153' +CE2 PHE B 2 84 21.02 '#349c5d' +CZ PHE B 2 84 21.01 '#349c5d' +N ALA B 2 85 18.26 '#34946f' +CA ALA B 2 85 19.14 '#349769' +C ALA B 2 85 19.25 '#349768' +O ALA B 2 85 17.96 '#349470' +CB ALA B 2 85 17.27 '#349275' +N ALA B 2 86 18.68 '#34966c' +CA ALA B 2 86 19.48 '#349867' +C ALA B 2 86 19.74 '#349965' +O ALA B 2 86 19.21 '#349769' +CB ALA B 2 86 19.03 '#34976a' +N LEU B 2 87 18.98 '#34966a' +CA LEU B 2 87 18.34 '#34956e' +C LEU B 2 87 17.87 '#349371' +O LEU B 2 87 17.82 '#349371' +CB LEU B 2 87 19.06 '#34976a' +CG LEU B 2 87 19.20 '#349769' +CD1 LEU B 2 87 19.02 '#34976a' +CD2 LEU B 2 87 17.16 '#349175' +N SER B 2 88 17.28 '#349275' +CA SER B 2 88 16.47 '#348f7a' +C SER B 2 88 17.11 '#349176' +O SER B 2 88 16.17 '#348e7c' +CB SER B 2 88 16.03 '#348e7c' +OG SER B 2 88 17.82 '#349371' +N GLU B 2 89 18.48 '#34956d' +CA GLU B 2 89 20.23 '#349a62' +C GLU B 2 89 17.85 '#349371' +O GLU B 2 89 16.27 '#348f7b' +CB GLU B 2 89 26.85 '#43ae3f' +CG GLU B 2 89 39.16 '#a4d91d' +CD GLU B 2 89 46.87 '#e0f408' +OE1 GLU B 2 89 49.77 '#f7fe00' +OE2 GLU B 2 89 48.63 '#eefa03' +N LEU B 2 90 16.76 '#349078' +CA LEU B 2 90 15.92 '#348e7d' +C LEU B 2 90 14.33 '#348987' +O LEU B 2 90 13.01 '#34858f' +CB LEU B 2 90 17.84 '#349371' +CG LEU B 2 90 20.02 '#349964' +CD1 LEU B 2 90 23.35 '#34a34f' +CD2 LEU B 2 90 22.21 '#34a056' +N HIS B 2 91 13.69 '#34878b' +CA HIS B 2 91 13.75 '#34888b' +C HIS B 2 91 15.02 '#348b83' +O HIS B 2 91 14.55 '#348a86' +CB HIS B 2 91 11.86 '#338296' +CG HIS B 2 91 11.50 '#338199' +ND1 HIS B 2 91 11.24 '#33809a' +CD2 HIS B 2 91 10.15 '#337da1' +CE1 HIS B 2 91 11.60 '#338198' +NE2 HIS B 2 91 9.91 '#337da3' +N CYS B 2 92 14.49 '#348a86' +CA CYS B 2 92 15.46 '#348c80' +C CYS B 2 92 16.68 '#349078' +O CYS B 2 92 16.22 '#348f7b' +CB CYS B 2 92 15.94 '#348e7d' +SG CYS B 2 92 16.20 '#348f7b' +N ASP B 2 93 18.42 '#34956e' +CA ASP B 2 93 20.64 '#349b60' +C ASP B 2 93 21.52 '#349e5a' +O ASP B 2 93 21.85 '#349f58' +CB ASP B 2 93 24.08 '#34a54a' +CG ASP B 2 93 28.65 '#51b43a' +OD1 ASP B 2 93 30.89 '#63bc34' +OD2 ASP B 2 93 33.51 '#77c52d' +N LYS B 2 94 22.52 '#34a054' +CA LYS B 2 94 21.69 '#349e59' +C LYS B 2 94 19.61 '#349866' +O LYS B 2 94 20.19 '#349a63' +CB LYS B 2 94 25.01 '#35a844' +CG LYS B 2 94 30.99 '#63bc34' +CD LYS B 2 94 36.13 '#8cce26' +CE LYS B 2 94 38.86 '#a1d81e' +NZ LYS B 2 94 40.21 '#acdc1b' +N LEU B 2 95 18.82 '#34966b' +CA LEU B 2 95 17.35 '#349274' +C LEU B 2 95 18.26 '#34946f' +O LEU B 2 95 18.49 '#34956d' +CB LEU B 2 95 17.27 '#349275' +CG LEU B 2 95 21.50 '#349e5a' +CD1 LEU B 2 95 18.33 '#34956e' +CD2 LEU B 2 95 18.37 '#34956e' +N HIS B 2 96 17.70 '#349372' +CA HIS B 2 96 17.79 '#349371' +C HIS B 2 96 16.45 '#348f7a' +O HIS B 2 96 14.38 '#348987' +CB HIS B 2 96 18.08 '#349470' +CG HIS B 2 96 23.50 '#34a34e' +ND1 HIS B 2 96 23.35 '#34a34f' +CD2 HIS B 2 96 23.21 '#34a250' +CE1 HIS B 2 96 23.25 '#34a34f' +NE2 HIS B 2 96 26.22 '#3eac41' +N VAL B 2 97 15.05 '#348b83' +CA VAL B 2 97 12.12 '#338395' +C VAL B 2 97 10.28 '#337ea0' +O VAL B 2 97 11.95 '#338296' +CB VAL B 2 97 10.57 '#337f9f' +CG1 VAL B 2 97 4.97 '#336fc1' +CG2 VAL B 2 97 6.08 '#3372bb' +N ASP B 2 98 9.79 '#337ca3' +CA ASP B 2 98 10.45 '#337e9f' +C ASP B 2 98 11.24 '#33809a' +O ASP B 2 98 12.59 '#348492' +CB ASP B 2 98 11.98 '#338396' +CG ASP B 2 98 14.11 '#348988' +OD1 ASP B 2 98 12.13 '#338395' +OD2 ASP B 2 98 14.99 '#348b83' +N PRO B 2 99 11.70 '#338297' +CA PRO B 2 99 11.80 '#338297' +C PRO B 2 99 11.52 '#338199' +O PRO B 2 99 10.85 '#337f9d' +CB PRO B 2 99 11.46 '#338199' +CG PRO B 2 99 12.21 '#338394' +CD PRO B 2 99 11.45 '#338199' +N GLU B 2 100 11.44 '#338199' +CA GLU B 2 100 13.45 '#34878d' +C GLU B 2 100 15.04 '#348b83' +O GLU B 2 100 16.95 '#349177' +CB GLU B 2 100 14.80 '#348b84' +CG GLU B 2 100 22.53 '#34a054' +CD GLU B 2 100 28.80 '#52b53a' +OE1 GLU B 2 100 29.78 '#5ab837' +OE2 GLU B 2 100 30.23 '#5eba36' +N ASN B 2 101 13.71 '#34878b' +CA ASN B 2 101 12.00 '#338396' +C ASN B 2 101 12.98 '#348590' +O ASN B 2 101 13.31 '#34868d' +CB ASN B 2 101 12.60 '#348492' +CG ASN B 2 101 15.72 '#348d7e' +OD1 ASN B 2 101 19.01 '#34966a' +ND2 ASN B 2 101 13.37 '#34868d' +N PHE B 2 102 12.19 '#338394' +CA PHE B 2 102 13.38 '#34868d' +C PHE B 2 102 13.69 '#34878b' +O PHE B 2 102 14.95 '#348b83' +CB PHE B 2 102 15.49 '#348c80' +CG PHE B 2 102 16.75 '#349078' +CD1 PHE B 2 102 16.92 '#349177' +CD2 PHE B 2 102 17.89 '#349371' +CE1 PHE B 2 102 20.04 '#349963' +CE2 PHE B 2 102 19.05 '#34976a' +CZ PHE B 2 102 19.12 '#349769' +N LYS B 2 103 13.65 '#34878b' +CA LYS B 2 103 15.49 '#348c80' +C LYS B 2 103 14.49 '#348a86' +O LYS B 2 103 14.48 '#348a86' +CB LYS B 2 103 17.55 '#349273' +CG LYS B 2 103 23.71 '#34a44d' +CD LYS B 2 103 29.76 '#5ab837' +CE LYS B 2 103 33.58 '#78c52d' +NZ LYS B 2 103 35.71 '#88cd27' +N LEU B 2 104 14.16 '#348988' +CA LEU B 2 104 12.77 '#348591' +C LEU B 2 104 11.35 '#33819a' +O LEU B 2 104 11.88 '#338296' +CB LEU B 2 104 13.99 '#348889' +CG LEU B 2 104 19.12 '#349769' +CD1 LEU B 2 104 17.39 '#349274' +CD2 LEU B 2 104 17.76 '#349372' +N LEU B 2 105 9.15 '#337aa7' +CA LEU B 2 105 8.97 '#337aa9' +C LEU B 2 105 10.95 '#33809c' +O LEU B 2 105 12.19 '#338394' +CB LEU B 2 105 7.90 '#3377af' +CG LEU B 2 105 8.05 '#3377ae' +CD1 LEU B 2 105 6.98 '#3374b5' +CD2 LEU B 2 105 8.32 '#3378ad' +N GLY B 2 106 10.12 '#337da1' +CA GLY B 2 106 12.70 '#348591' +C GLY B 2 106 13.54 '#34878c' +O GLY B 2 106 14.88 '#348b84' +N ASN B 2 107 12.73 '#348591' +CA ASN B 2 107 14.92 '#348b83' +C ASN B 2 107 14.85 '#348b84' +O ASN B 2 107 14.01 '#348889' +CB ASN B 2 107 19.56 '#349866' +CG ASN B 2 107 24.84 '#34a745' +OD1 ASN B 2 107 25.33 '#37a944' +ND2 ASN B 2 107 29.14 '#55b639' +N VAL B 2 108 13.53 '#34878c' +CA VAL B 2 108 12.06 '#338395' +C VAL B 2 108 11.70 '#338297' +O VAL B 2 108 11.52 '#338199' +CB VAL B 2 108 12.13 '#338395' +CG1 VAL B 2 108 8.29 '#3378ad' +CG2 VAL B 2 108 12.36 '#338493' +N LEU B 2 109 10.46 '#337e9f' +CA LEU B 2 109 10.62 '#337f9e' +C LEU B 2 109 10.74 '#337f9d' +O LEU B 2 109 10.87 '#337f9d' +CB LEU B 2 109 8.61 '#3379ab' +CG LEU B 2 109 8.70 '#3379aa' +CD1 LEU B 2 109 7.14 '#3375b4' +CD2 LEU B 2 109 8.74 '#3379aa' +N VAL B 2 110 10.55 '#337e9f' +CA VAL B 2 110 12.46 '#338493' +C VAL B 2 110 12.94 '#348590' +O VAL B 2 110 13.48 '#34878c' +CB VAL B 2 110 14.56 '#348a86' +CG1 VAL B 2 110 13.36 '#34868d' +CG2 VAL B 2 110 13.15 '#34868e' +N VAL B 2 111 12.42 '#338493' +CA VAL B 2 111 11.44 '#338199' +C VAL B 2 111 10.70 '#337f9e' +O VAL B 2 111 10.95 '#33809c' +CB VAL B 2 111 11.32 '#33819a' +CG1 VAL B 2 111 8.21 '#3378ad' +CG2 VAL B 2 111 13.16 '#34868e' +N VAL B 2 112 9.20 '#337ba7' +CA VAL B 2 112 8.61 '#3379ab' +C VAL B 2 112 9.98 '#337da2' +O VAL B 2 112 9.91 '#337da3' +CB VAL B 2 112 7.55 '#3376b1' +CG1 VAL B 2 112 6.90 '#3374b5' +CG2 VAL B 2 112 7.39 '#3375b2' +N LEU B 2 113 9.55 '#337ca5' +CA LEU B 2 113 11.32 '#33819a' +C LEU B 2 113 13.78 '#34888b' +O LEU B 2 113 15.65 '#348d7f' +CB LEU B 2 113 7.14 '#3375b4' +CG LEU B 2 113 8.27 '#3378ad' +CD1 LEU B 2 113 7.08 '#3375b4' +CD2 LEU B 2 113 7.82 '#3377b0' +N ALA B 2 114 12.97 '#348590' +CA ALA B 2 114 12.39 '#338493' +C ALA B 2 114 12.78 '#348591' +O ALA B 2 114 14.93 '#348b83' +CB ALA B 2 114 10.02 '#337da2' +N ARG B 2 115 12.99 '#34858f' +CA ARG B 2 115 14.22 '#348988' +C ARG B 2 115 16.15 '#348e7c' +O ARG B 2 115 16.13 '#348e7c' +CB ARG B 2 115 11.33 '#33819a' +CG ARG B 2 115 12.59 '#348492' +CD ARG B 2 115 15.32 '#348c81' +NE ARG B 2 115 17.13 '#349176' +CZ ARG B 2 115 18.75 '#34966c' +NH1 ARG B 2 115 18.02 '#349470' +NH2 ARG B 2 115 17.37 '#349274' +N ASN B 2 116 17.98 '#349470' +CA ASN B 2 116 20.09 '#349a63' +C ASN B 2 116 20.96 '#349c5e' +O ASN B 2 116 23.20 '#34a250' +CB ASN B 2 116 19.56 '#349866' +CG ASN B 2 116 20.64 '#349b60' +OD1 ASN B 2 116 21.44 '#349d5b' +ND2 ASN B 2 116 19.18 '#349769' +N PHE B 2 117 20.99 '#349c5e' +CA PHE B 2 117 21.08 '#349c5d' +C PHE B 2 117 19.61 '#349866' +O PHE B 2 117 18.65 '#34956c' +CB PHE B 2 117 24.13 '#34a54a' +CG PHE B 2 117 27.51 '#48b03e' +CD1 PHE B 2 117 26.91 '#43ae3f' +CD2 PHE B 2 117 29.20 '#55b639' +CE1 PHE B 2 117 28.72 '#52b43a' +CE2 PHE B 2 117 31.95 '#6bc031' +CZ PHE B 2 117 29.65 '#59b838' +N GLY B 2 118 18.90 '#34966b' +CA GLY B 2 118 20.98 '#349c5e' +C GLY B 2 118 23.94 '#34a44b' +O GLY B 2 118 22.04 '#349f57' +N LYS B 2 119 26.37 '#3fac41' +CA LYS B 2 119 29.52 '#58b738' +C LYS B 2 119 28.46 '#50b43b' +O LYS B 2 119 29.81 '#5ab837' +CB LYS B 2 119 34.77 '#81c92a' +CG LYS B 2 119 43.65 '#c7e811' +CD LYS B 2 119 48.08 '#e9f805' +CE LYS B 2 119 50.22 '#f8fd00' +NZ LYS B 2 119 51.71 '#f8f601' +N GLU B 2 120 27.62 '#49b13d' +CA GLU B 2 120 26.58 '#41ad40' +C GLU B 2 120 25.17 '#36a844' +O GLU B 2 120 24.20 '#34a549' +CB GLU B 2 120 31.25 '#66bd33' +CG GLU B 2 120 41.38 '#b5e117' +CD GLU B 2 120 47.07 '#e2f408' +OE1 GLU B 2 120 50.21 '#f8fd00' +OE2 GLU B 2 120 46.06 '#daf10a' +N PHE B 2 121 24.08 '#34a54a' +CA PHE B 2 121 22.29 '#34a055' +C PHE B 2 121 22.26 '#34a056' +O PHE B 2 121 22.45 '#34a054' +CB PHE B 2 121 20.70 '#349b5f' +CG PHE B 2 121 19.89 '#349964' +CD1 PHE B 2 121 18.55 '#34956d' +CD2 PHE B 2 121 17.26 '#349275' +CE1 PHE B 2 121 17.67 '#349372' +CE2 PHE B 2 121 15.59 '#348d7f' +CZ PHE B 2 121 16.40 '#348f7a' +N THR B 2 122 21.31 '#349d5c' +CA THR B 2 122 18.54 '#34956d' +C THR B 2 122 18.25 '#34946f' +O THR B 2 122 16.45 '#348f7a' +CB THR B 2 122 17.03 '#349176' +OG1 THR B 2 122 13.12 '#34868f' +CG2 THR B 2 122 14.18 '#348988' +N PRO B 2 123 18.25 '#34946f' +CA PRO B 2 123 18.14 '#34946f' +C PRO B 2 123 19.50 '#349867' +O PRO B 2 123 19.20 '#349769' +CB PRO B 2 123 17.36 '#349274' +CG PRO B 2 123 16.65 '#349079' +CD PRO B 2 123 16.35 '#348f7a' +N VAL B 2 124 19.46 '#349867' +CA VAL B 2 124 20.02 '#349964' +C VAL B 2 124 20.96 '#349c5e' +O VAL B 2 124 20.46 '#349b61' +CB VAL B 2 124 20.39 '#349a61' +CG1 VAL B 2 124 16.60 '#349079' +CG2 VAL B 2 124 21.25 '#349d5c' +N LEU B 2 125 21.09 '#349c5d' +CA LEU B 2 125 20.50 '#349b61' +C LEU B 2 125 18.80 '#34966b' +O LEU B 2 125 19.08 '#349769' +CB LEU B 2 125 23.63 '#34a44d' +CG LEU B 2 125 28.74 '#52b53a' +CD1 LEU B 2 125 28.43 '#4fb33b' +CD2 LEU B 2 125 29.61 '#59b838' +N GLN B 2 126 16.51 '#348f79' +CA GLN B 2 126 13.72 '#34878b' +C GLN B 2 126 14.59 '#348a85' +O GLN B 2 126 13.59 '#34878c' +CB GLN B 2 126 10.92 '#33809c' +CG GLN B 2 126 10.38 '#337ea0' +CD GLN B 2 126 12.19 '#338394' +OE1 GLN B 2 126 14.51 '#348a86' +NE2 GLN B 2 126 15.37 '#348c81' +N ALA B 2 127 13.79 '#34888a' +CA ALA B 2 127 15.50 '#348d80' +C ALA B 2 127 17.17 '#349175' +O ALA B 2 127 17.92 '#349371' +CB ALA B 2 127 11.50 '#338199' +N ASP B 2 128 18.02 '#349470' +CA ASP B 2 128 17.19 '#349175' +C ASP B 2 128 15.23 '#348c81' +O ASP B 2 128 13.77 '#34888b' +CB ASP B 2 128 20.95 '#349c5e' +CG ASP B 2 128 23.70 '#34a44d' +OD1 ASP B 2 128 24.05 '#34a54a' +OD2 ASP B 2 128 26.15 '#3eac41' +N PHE B 2 129 14.46 '#348a86' +CA PHE B 2 129 16.55 '#349079' +C PHE B 2 129 17.41 '#349274' +O PHE B 2 129 17.49 '#349273' +CB PHE B 2 129 15.20 '#348c82' +CG PHE B 2 129 18.08 '#349470' +CD1 PHE B 2 129 19.23 '#349769' +CD2 PHE B 2 129 19.24 '#349768' +CE1 PHE B 2 129 19.41 '#349867' +CE2 PHE B 2 129 20.35 '#349a62' +CZ PHE B 2 129 18.81 '#34966b' +N GLN B 2 130 18.93 '#34966a' +CA GLN B 2 130 18.84 '#34966b' +C GLN B 2 130 17.84 '#349371' +O GLN B 2 130 16.84 '#349077' +CB GLN B 2 130 18.04 '#349470' +CG GLN B 2 130 19.61 '#349866' +CD GLN B 2 130 20.31 '#349a62' +OE1 GLN B 2 130 19.75 '#349965' +NE2 GLN B 2 130 16.38 '#348f7a' +N LYS B 2 131 17.09 '#349176' +CA LYS B 2 131 18.86 '#34966b' +C LYS B 2 131 18.37 '#34956e' +O LYS B 2 131 17.93 '#349371' +CB LYS B 2 131 24.00 '#34a54b' +CG LYS B 2 131 30.52 '#60bb35' +CD LYS B 2 131 32.98 '#73c32e' +CE LYS B 2 131 34.68 '#80c92a' +NZ LYS B 2 131 37.07 '#93d223' +N VAL B 2 132 17.82 '#349371' +CA VAL B 2 132 16.50 '#348f7a' +C VAL B 2 132 14.60 '#348a85' +O VAL B 2 132 13.68 '#34878b' +CB VAL B 2 132 17.15 '#349175' +CG1 VAL B 2 132 15.47 '#348c80' +CG2 VAL B 2 132 14.62 '#348a85' +N VAL B 2 133 12.87 '#348590' +CA VAL B 2 133 12.14 '#338395' +C VAL B 2 133 10.60 '#337f9e' +O VAL B 2 133 10.53 '#337e9f' +CB VAL B 2 133 11.25 '#33809a' +CG1 VAL B 2 133 8.48 '#3379ac' +CG2 VAL B 2 133 9.71 '#337ca4' +N ALA B 2 134 10.52 '#337e9f' +CA ALA B 2 134 12.02 '#338395' +C ALA B 2 134 14.14 '#348988' +O ALA B 2 134 15.50 '#348d80' +CB ALA B 2 134 8.75 '#3379aa' +N GLY B 2 135 14.40 '#348987' +CA GLY B 2 135 13.89 '#34888a' +C GLY B 2 135 15.63 '#348d7f' +O GLY B 2 135 15.23 '#348c81' +N VAL B 2 136 15.49 '#348c80' +CA VAL B 2 136 16.23 '#348f7b' +C VAL B 2 136 16.07 '#348e7c' +O VAL B 2 136 14.54 '#348a86' +CB VAL B 2 136 16.03 '#348e7c' +CG1 VAL B 2 136 11.84 '#338297' +CG2 VAL B 2 136 11.78 '#338297' +N ALA B 2 137 16.98 '#349177' +CA ALA B 2 137 17.05 '#349176' +C ALA B 2 137 19.53 '#349867' +O ALA B 2 137 18.59 '#34956c' +CB ALA B 2 137 13.46 '#34878d' +N ASN B 2 138 22.09 '#349f57' +CA ASN B 2 138 23.48 '#34a34e' +C ASN B 2 138 22.14 '#349f56' +O ASN B 2 138 20.95 '#349c5e' +CB ASN B 2 138 32.54 '#70c230' +CG ASN B 2 138 42.83 '#c0e613' +OD1 ASN B 2 138 44.36 '#cceb0f' +ND2 ASN B 2 138 47.84 '#e8f705' +N ALA B 2 139 19.97 '#349964' +CA ALA B 2 139 19.48 '#349867' +C ALA B 2 139 18.03 '#349470' +O ALA B 2 139 18.69 '#34966c' +CB ALA B 2 139 14.71 '#348a85' +N LEU B 2 140 17.23 '#349175' +CA LEU B 2 140 17.94 '#349371' +C LEU B 2 140 17.76 '#349372' +O LEU B 2 140 18.43 '#34956d' +CB LEU B 2 140 16.58 '#349079' +CG LEU B 2 140 18.42 '#34956e' +CD1 LEU B 2 140 19.62 '#349866' +CD2 LEU B 2 140 13.54 '#34878c' +N ALA B 2 141 16.98 '#349177' +CA ALA B 2 141 17.07 '#349176' +C ALA B 2 141 18.83 '#34966b' +O ALA B 2 141 18.87 '#34966b' +CB ALA B 2 141 13.25 '#34868e' +N HIS B 2 142 21.22 '#349d5c' +CA HIS B 2 142 24.83 '#34a746' +C HIS B 2 142 24.92 '#34a745' +O HIS B 2 142 23.70 '#34a44d' +CB HIS B 2 142 33.40 '#76c52d' +CG HIS B 2 142 42.48 '#bee414' +ND1 HIS B 2 142 47.19 '#e2f507' +CD2 HIS B 2 142 43.48 '#c5e811' +CE1 HIS B 2 142 49.07 '#f1fb02' +NE2 HIS B 2 142 47.11 '#e2f407' +N ARG B 2 143 24.27 '#34a549' +CA ARG B 2 143 24.39 '#34a648' +C ARG B 2 143 23.95 '#34a54b' +O ARG B 2 143 22.37 '#34a055' +CB ARG B 2 143 28.78 '#52b53a' +CG ARG B 2 143 36.58 '#8fd025' +CD ARG B 2 143 44.34 '#cceb0f' +NE ARG B 2 143 53.87 '#f6ec02' +CZ ARG B 2 143 59.43 '#f4d106' +NH1 ARG B 2 143 60.15 '#f3ce06' +NH2 ARG B 2 143 59.92 '#f3cf06' +N TYR B 2 144 23.59 '#34a34d' +CA TYR B 2 144 22.68 '#34a153' +C TYR B 2 144 24.22 '#34a549' +O TYR B 2 144 23.62 '#34a44d' +CB TYR B 2 144 18.07 '#349470' +CG TYR B 2 144 17.98 '#349470' +CD1 TYR B 2 144 17.01 '#349176' +CD2 TYR B 2 144 15.43 '#348c80' +CE1 TYR B 2 144 14.86 '#348b84' +CE2 TYR B 2 144 15.54 '#348d80' +CZ TYR B 2 144 14.67 '#348a85' +OH TYR B 2 144 14.06 '#348889' +N HIS B 2 145 25.78 '#3baa42' +CA HIS B 2 145 27.29 '#46af3e' +C HIS B 2 145 27.63 '#49b13d' +O HIS B 2 145 26.41 '#40ac41' +CB HIS B 2 145 29.97 '#5bb937' +CG HIS B 2 145 30.96 '#63bc34' +ND1 HIS B 2 145 31.64 '#69bf32' +CD2 HIS B 2 145 30.08 '#5cb936' +CE1 HIS B 2 145 31.83 '#6abf32' +NE2 HIS B 2 145 30.74 '#62bb35' +OXT HIS B 2 145 28.21 '#4eb33c' +N VAL C 1 1 40.96 '#b2df18' +CA VAL C 1 1 41.90 '#b9e216' +C VAL C 1 1 40.14 '#abdc1b' +O VAL C 1 1 39.74 '#a8db1c' +CB VAL C 1 1 45.78 '#d7f00b' +CG1 VAL C 1 1 45.20 '#d3ee0d' +CG2 VAL C 1 1 47.53 '#e5f606' +N LEU C 1 2 38.41 '#9ed61f' +CA LEU C 1 2 36.92 '#92d124' +C LEU C 1 2 36.24 '#8dcf25' +O LEU C 1 2 38.65 '#a0d71f' +CB LEU C 1 2 35.14 '#84cb29' +CG LEU C 1 2 35.23 '#85cb28' +CD1 LEU C 1 2 35.28 '#85cb28' +CD2 LEU C 1 2 34.74 '#81c92a' +N SER C 1 3 33.96 '#7bc72c' +CA SER C 1 3 31.28 '#66bd33' +C SER C 1 3 29.79 '#5ab837' +O SER C 1 3 28.48 '#50b43b' +CB SER C 1 3 27.64 '#49b13d' +OG SER C 1 3 24.14 '#34a54a' +N ALA C 1 4 27.69 '#4ab13d' +CA ALA C 1 4 26.10 '#3dab41' +C ALA C 1 4 24.24 '#34a549' +O ALA C 1 4 23.95 '#34a54b' +CB ALA C 1 4 26.11 '#3dab41' +N ALA C 1 5 23.21 '#34a250' +CA ALA C 1 5 23.72 '#34a44c' +C ALA C 1 5 22.92 '#34a251' +O ALA C 1 5 23.58 '#34a34d' +CB ALA C 1 5 24.81 '#34a746' +N ASP C 1 6 21.35 '#349d5b' +CA ASP C 1 6 20.86 '#349c5e' +C ASP C 1 6 20.64 '#349b60' +O ASP C 1 6 19.84 '#349965' +CB ASP C 1 6 21.10 '#349c5d' +CG ASP C 1 6 22.28 '#34a055' +OD1 ASP C 1 6 20.22 '#349a62' +OD2 ASP C 1 6 20.74 '#349b5f' +N LYS C 1 7 20.73 '#349b5f' +CA LYS C 1 7 22.09 '#349f57' +C LYS C 1 7 23.89 '#34a44b' +O LYS C 1 7 24.69 '#34a746' +CB LYS C 1 7 19.87 '#349965' +CG LYS C 1 7 21.70 '#349e59' +CD LYS C 1 7 25.63 '#39aa43' +CE LYS C 1 7 28.30 '#4eb33b' +NZ LYS C 1 7 30.16 '#5db936' +N GLY C 1 8 23.51 '#34a34e' +CA GLY C 1 8 22.05 '#349f57' +C GLY C 1 8 21.79 '#349e59' +O GLY C 1 8 23.31 '#34a34f' +N ASN C 1 9 21.07 '#349c5d' +CA ASN C 1 9 21.29 '#349d5c' +C ASN C 1 9 21.36 '#349d5b' +O ASN C 1 9 21.39 '#349d5b' +CB ASN C 1 9 24.03 '#34a54b' +CG ASN C 1 9 25.43 '#38a943' +OD1 ASN C 1 9 27.29 '#46af3e' +ND2 ASN C 1 9 26.90 '#43ae3f' +N VAL C 1 10 21.27 '#349d5c' +CA VAL C 1 10 21.66 '#349e59' +C VAL C 1 10 21.67 '#349e59' +O VAL C 1 10 19.49 '#349867' +CB VAL C 1 10 20.08 '#349a63' +CG1 VAL C 1 10 17.99 '#349470' +CG2 VAL C 1 10 16.71 '#349078' +N LYS C 1 11 21.75 '#349e59' +CA LYS C 1 11 22.27 '#34a056' +C LYS C 1 11 22.68 '#34a153' +O LYS C 1 11 23.11 '#34a250' +CB LYS C 1 11 22.71 '#34a153' +CG LYS C 1 11 27.28 '#46af3e' +CD LYS C 1 11 31.46 '#67be33' +CE LYS C 1 11 32.63 '#70c22f' +NZ LYS C 1 11 32.57 '#70c230' +N ALA C 1 12 22.75 '#34a153' +CA ALA C 1 12 22.69 '#34a153' +C ALA C 1 12 22.62 '#34a153' +O ALA C 1 12 24.89 '#34a745' +CB ALA C 1 12 22.34 '#34a055' +N ALA C 1 13 21.72 '#349e59' +CA ALA C 1 13 20.86 '#349c5e' +C ALA C 1 13 22.11 '#349f57' +O ALA C 1 13 20.99 '#349c5e' +CB ALA C 1 13 20.14 '#349a63' +N TRP C 1 14 24.19 '#34a54a' +CA TRP C 1 14 26.19 '#3eac41' +C TRP C 1 14 26.59 '#41ad40' +O TRP C 1 14 25.60 '#39aa43' +CB TRP C 1 14 26.56 '#41ad40' +CG TRP C 1 14 27.06 '#45af3f' +CD1 TRP C 1 14 26.79 '#43ae40' +CD2 TRP C 1 14 27.05 '#45af3f' +NE1 TRP C 1 14 26.10 '#3dab41' +CE2 TRP C 1 14 26.56 '#41ad40' +CE3 TRP C 1 14 28.85 '#53b53a' +CZ2 TRP C 1 14 27.64 '#49b13d' +CZ3 TRP C 1 14 28.88 '#53b53a' +CH2 TRP C 1 14 29.08 '#54b639' +N GLY C 1 15 29.00 '#54b539' +CA GLY C 1 15 31.36 '#66be33' +C GLY C 1 15 32.43 '#6fc130' +O GLY C 1 15 32.00 '#6bc031' +N LYS C 1 16 32.20 '#6dc131' +CA LYS C 1 16 32.61 '#70c22f' +C LYS C 1 16 31.44 '#67be33' +O LYS C 1 16 32.52 '#6fc230' +CB LYS C 1 16 36.72 '#90d024' +CG LYS C 1 16 41.51 '#b6e117' +CD LYS C 1 16 47.14 '#e2f507' +CE LYS C 1 16 50.80 '#f8fb00' +NZ LYS C 1 16 54.04 '#f6eb02' +N VAL C 1 17 29.73 '#5ab837' +CA VAL C 1 17 27.80 '#4ab13d' +C VAL C 1 17 27.36 '#47b03e' +O VAL C 1 17 26.21 '#3eac41' +CB VAL C 1 17 23.99 '#34a54b' +CG1 VAL C 1 17 20.59 '#349b60' +CG2 VAL C 1 17 20.44 '#349b61' +N GLY C 1 18 27.54 '#48b03d' +CA GLY C 1 18 29.59 '#58b738' +C GLY C 1 18 31.59 '#68be32' +O GLY C 1 18 32.78 '#71c32f' +N GLY C 1 19 31.71 '#69bf32' +CA GLY C 1 19 31.31 '#66bd33' +C GLY C 1 19 31.42 '#67be33' +O GLY C 1 19 32.35 '#6ec130' +N HIS C 1 20 30.59 '#60bb35' +CA HIS C 1 20 28.77 '#52b53a' +C HIS C 1 20 27.04 '#44af3f' +O HIS C 1 20 26.41 '#40ac41' +CB HIS C 1 20 30.50 '#60bb35' +CG HIS C 1 20 33.60 '#78c52d' +ND1 HIS C 1 20 35.95 '#8ace26' +CD2 HIS C 1 20 34.79 '#81ca29' +CE1 HIS C 1 20 36.73 '#90d024' +NE2 HIS C 1 20 35.36 '#86cc28' +N ALA C 1 21 25.04 '#35a844' +CA ALA C 1 21 22.16 '#349f56' +C ALA C 1 21 20.29 '#349a62' +O ALA C 1 21 19.56 '#349866' +CB ALA C 1 21 17.68 '#349372' +N ALA C 1 22 18.56 '#34956d' +CA ALA C 1 22 18.40 '#34956e' +C ALA C 1 22 19.57 '#349866' +O ALA C 1 22 20.05 '#349963' +CB ALA C 1 22 18.30 '#34946e' +N GLU C 1 23 20.60 '#349b60' +CA GLU C 1 23 22.01 '#349f57' +C GLU C 1 23 19.75 '#349965' +O GLU C 1 23 19.49 '#349867' +CB GLU C 1 23 30.01 '#5cb937' +CG GLU C 1 23 40.04 '#aadc1b' +CD GLU C 1 23 48.53 '#edf904' +OE1 GLU C 1 23 52.03 '#f7f501' +OE2 GLU C 1 23 50.29 '#f8fd00' +N TYR C 1 24 17.66 '#349372' +CA TYR C 1 24 17.06 '#349176' +C TYR C 1 24 16.36 '#348f7a' +O TYR C 1 24 16.22 '#348f7b' +CB TYR C 1 24 18.29 '#34946e' +CG TYR C 1 24 20.38 '#349a61' +CD1 TYR C 1 24 20.10 '#349a63' +CD2 TYR C 1 24 23.65 '#34a44d' +CE1 TYR C 1 24 22.29 '#34a055' +CE2 TYR C 1 24 23.84 '#34a44c' +CZ TYR C 1 24 23.84 '#34a44c' +OH TYR C 1 24 25.84 '#3baa42' +N GLY C 1 25 15.42 '#348c80' +CA GLY C 1 25 16.06 '#348e7c' +C GLY C 1 25 17.18 '#349175' +O GLY C 1 25 18.73 '#34966c' +N ALA C 1 26 16.64 '#349079' +CA ALA C 1 26 15.74 '#348d7e' +C ALA C 1 26 17.56 '#349273' +O ALA C 1 26 18.84 '#34966b' +CB ALA C 1 26 13.30 '#34868e' +N GLU C 1 27 17.97 '#349470' +CA GLU C 1 27 17.98 '#349470' +C GLU C 1 27 16.51 '#348f79' +O GLU C 1 27 16.50 '#348f7a' +CB GLU C 1 27 17.65 '#349372' +CG GLU C 1 27 21.92 '#349f58' +CD GLU C 1 27 27.65 '#49b13d' +OE1 GLU C 1 27 30.33 '#5eba36' +OE2 GLU C 1 27 26.84 '#43ae3f' +N ALA C 1 28 15.56 '#348d7f' +CA ALA C 1 28 15.30 '#348c81' +C ALA C 1 28 15.74 '#348d7e' +O ALA C 1 28 14.79 '#348b84' +CB ALA C 1 28 11.87 '#338296' +N LEU C 1 29 16.51 '#348f79' +CA LEU C 1 29 18.61 '#34956c' +C LEU C 1 29 19.19 '#349769' +O LEU C 1 29 18.66 '#34956c' +CB LEU C 1 29 16.84 '#349077' +CG LEU C 1 29 20.00 '#349964' +CD1 LEU C 1 29 21.97 '#349f57' +CD2 LEU C 1 29 22.00 '#349f57' +N GLU C 1 30 19.69 '#349866' +CA GLU C 1 30 21.52 '#349e5a' +C GLU C 1 30 20.13 '#349a63' +O GLU C 1 30 19.99 '#349964' +CB GLU C 1 30 29.88 '#5bb837' +CG GLU C 1 30 39.71 '#a8db1c' +CD GLU C 1 30 44.17 '#cbea10' +OE1 GLU C 1 30 46.45 '#ddf209' +OE2 GLU C 1 30 45.09 '#d2ed0d' +N ARG C 1 31 18.13 '#34946f' +CA ARG C 1 31 17.17 '#349175' +C ARG C 1 31 17.68 '#349372' +O ARG C 1 31 18.57 '#34956d' +CB ARG C 1 31 14.21 '#348988' +CG ARG C 1 31 16.06 '#348e7c' +CD ARG C 1 31 17.26 '#349275' +NE ARG C 1 31 18.59 '#34956c' +CZ ARG C 1 31 23.63 '#34a44d' +NH1 ARG C 1 31 24.16 '#34a54a' +NH2 ARG C 1 31 23.97 '#34a54b' +N MET C 1 32 15.64 '#348d7f' +CA MET C 1 32 14.42 '#348987' +C MET C 1 32 14.60 '#348a85' +O MET C 1 32 13.48 '#34878c' +CB MET C 1 32 13.95 '#348889' +CG MET C 1 32 16.32 '#348f7b' +SD MET C 1 32 17.23 '#349175' +CE MET C 1 32 14.20 '#348988' +N PHE C 1 33 13.98 '#348889' +CA PHE C 1 33 15.90 '#348e7d' +C PHE C 1 33 16.92 '#349177' +O PHE C 1 33 16.25 '#348f7b' +CB PHE C 1 33 17.73 '#349372' +CG PHE C 1 33 19.80 '#349965' +CD1 PHE C 1 33 19.65 '#349866' +CD2 PHE C 1 33 20.20 '#349a62' +CE1 PHE C 1 33 21.68 '#349e59' +CE2 PHE C 1 33 22.61 '#34a153' +CZ PHE C 1 33 22.32 '#34a055' +N LEU C 1 34 18.34 '#34956e' +CA LEU C 1 34 19.75 '#349965' +C LEU C 1 34 18.25 '#34946f' +O LEU C 1 34 18.50 '#34956d' +CB LEU C 1 34 24.56 '#34a647' +CG LEU C 1 34 25.22 '#36a844' +CD1 LEU C 1 34 27.62 '#49b13d' +CD2 LEU C 1 34 23.38 '#34a34f' +N SER C 1 35 18.29 '#34946e' +CA SER C 1 35 18.59 '#34956c' +C SER C 1 35 18.96 '#34966a' +O SER C 1 35 19.88 '#349964' +CB SER C 1 35 16.79 '#349078' +OG SER C 1 35 18.24 '#34946f' +N PHE C 1 36 18.30 '#34946e' +CA PHE C 1 36 18.28 '#34946e' +C PHE C 1 36 18.73 '#34966c' +O PHE C 1 36 18.91 '#34966b' +CB PHE C 1 36 15.74 '#348d7e' +CG PHE C 1 36 16.38 '#348f7a' +CD1 PHE C 1 36 15.10 '#348b82' +CD2 PHE C 1 36 14.29 '#348987' +CE1 PHE C 1 36 16.28 '#348f7b' +CE2 PHE C 1 36 12.63 '#348492' +CZ PHE C 1 36 13.32 '#34868d' +N PRO C 1 37 18.69 '#34966c' +CA PRO C 1 37 18.49 '#34956d' +C PRO C 1 37 17.71 '#349372' +O PRO C 1 37 18.23 '#34946f' +CB PRO C 1 37 18.19 '#34946f' +CG PRO C 1 37 18.61 '#34956c' +CD PRO C 1 37 18.46 '#34956d' +N THR C 1 38 17.30 '#349275' +CA THR C 1 38 16.07 '#348e7c' +C THR C 1 38 14.91 '#348b83' +O THR C 1 38 14.01 '#348889' +CB THR C 1 38 16.34 '#348f7b' +OG1 THR C 1 38 15.65 '#348d7f' +CG2 THR C 1 38 15.10 '#348b82' +N THR C 1 39 12.96 '#348590' +CA THR C 1 39 12.08 '#338395' +C THR C 1 39 12.42 '#338493' +O THR C 1 39 12.37 '#338493' +CB THR C 1 39 9.65 '#337ca4' +OG1 THR C 1 39 10.95 '#33809c' +CG2 THR C 1 39 6.18 '#3372ba' +N LYS C 1 40 13.26 '#34868e' +CA LYS C 1 40 14.92 '#348b83' +C LYS C 1 40 15.69 '#348d7f' +O LYS C 1 40 15.97 '#348e7d' +CB LYS C 1 40 14.94 '#348b83' +CG LYS C 1 40 17.74 '#349372' +CD LYS C 1 40 17.47 '#349273' +CE LYS C 1 40 17.16 '#349175' +NZ LYS C 1 40 19.03 '#34976a' +N THR C 1 41 15.19 '#348c82' +CA THR C 1 41 15.24 '#348c81' +C THR C 1 41 15.30 '#348c81' +O THR C 1 41 15.10 '#348b82' +CB THR C 1 41 13.55 '#34878c' +OG1 THR C 1 41 14.00 '#348889' +CG2 THR C 1 41 12.12 '#338395' +N TYR C 1 42 15.80 '#348d7e' +CA TYR C 1 42 16.74 '#349078' +C TYR C 1 42 17.31 '#349274' +O TYR C 1 42 16.27 '#348f7b' +CB TYR C 1 42 15.36 '#348c81' +CG TYR C 1 42 15.71 '#348d7e' +CD1 TYR C 1 42 13.89 '#34888a' +CD2 TYR C 1 42 16.52 '#348f79' +CE1 TYR C 1 42 12.12 '#338395' +CE2 TYR C 1 42 14.02 '#348889' +CZ TYR C 1 42 10.00 '#337da2' +OH TYR C 1 42 8.22 '#3378ad' +N PHE C 1 43 18.34 '#34956e' +CA PHE C 1 43 19.27 '#349768' +C PHE C 1 43 20.08 '#349a63' +O PHE C 1 43 22.19 '#34a056' +CB PHE C 1 43 16.18 '#348e7c' +CG PHE C 1 43 15.84 '#348d7e' +CD1 PHE C 1 43 14.48 '#348a86' +CD2 PHE C 1 43 17.58 '#349273' +CE1 PHE C 1 43 15.86 '#348e7e' +CE2 PHE C 1 43 17.63 '#349372' +CZ PHE C 1 43 16.47 '#348f7a' +N PRO C 1 44 21.13 '#349d5d' +CA PRO C 1 44 22.78 '#34a152' +C PRO C 1 44 25.34 '#37a944' +O PRO C 1 44 26.93 '#44ae3f' +CB PRO C 1 44 21.30 '#349d5c' +CG PRO C 1 44 22.41 '#34a055' +CD PRO C 1 44 21.36 '#349d5b' +N HIS C 1 45 26.29 '#3fac41' +CA HIS C 1 45 29.17 '#55b639' +C HIS C 1 45 29.18 '#55b639' +O HIS C 1 45 30.51 '#60bb35' +CB HIS C 1 45 32.86 '#72c32f' +CG HIS C 1 45 33.64 '#78c62d' +ND1 HIS C 1 45 37.47 '#96d322' +CD2 HIS C 1 45 32.85 '#72c32f' +CE1 HIS C 1 45 34.14 '#7cc72b' +NE2 HIS C 1 45 29.56 '#58b738' +N PHE C 1 46 26.49 '#40ad40' +CA PHE C 1 46 25.08 '#35a844' +C PHE C 1 46 26.04 '#3dab42' +O PHE C 1 46 25.34 '#37a944' +CB PHE C 1 46 20.72 '#349b5f' +CG PHE C 1 46 19.92 '#349964' +CD1 PHE C 1 46 18.88 '#34966b' +CD2 PHE C 1 46 20.00 '#349964' +CE1 PHE C 1 46 18.41 '#34956e' +CE2 PHE C 1 46 21.33 '#349d5b' +CZ PHE C 1 46 20.09 '#349a63' +N ASP C 1 47 26.92 '#44ae3f' +CA ASP C 1 47 28.39 '#4fb33b' +C ASP C 1 47 28.71 '#52b43a' +O ASP C 1 47 28.15 '#4db23c' +CB ASP C 1 47 33.22 '#75c42e' +CG ASP C 1 47 37.51 '#97d322' +OD1 ASP C 1 47 38.12 '#9bd520' +OD2 ASP C 1 47 40.64 '#afde19' +N LEU C 1 48 28.61 '#51b43b' +CA LEU C 1 48 29.85 '#5bb837' +C LEU C 1 48 32.52 '#6fc230' +O LEU C 1 48 32.77 '#71c32f' +CB LEU C 1 48 27.34 '#47b03e' +CG LEU C 1 48 26.70 '#42ad40' +CD1 LEU C 1 48 27.54 '#48b03d' +CD2 LEU C 1 48 25.01 '#35a844' +N SER C 1 49 34.44 '#7fc82a' +CA SER C 1 49 35.36 '#86cc28' +C SER C 1 49 36.78 '#91d024' +O SER C 1 49 38.35 '#9dd620' +CB SER C 1 49 34.26 '#7dc82b' +OG SER C 1 49 37.38 '#96d322' +N HIS C 1 50 37.20 '#94d223' +CA HIS C 1 50 36.07 '#8bce26' +C HIS C 1 50 34.45 '#7fc82a' +O HIS C 1 50 33.12 '#74c42e' +CB HIS C 1 50 38.44 '#9ed61f' +CG HIS C 1 50 41.40 '#b5e117' +ND1 HIS C 1 50 42.56 '#bee514' +CD2 HIS C 1 50 41.67 '#b7e216' +CE1 HIS C 1 50 42.69 '#bfe514' +NE2 HIS C 1 50 41.70 '#b7e216' +N GLY C 1 51 33.22 '#75c42e' +CA GLY C 1 51 32.57 '#70c230' +C GLY C 1 51 31.64 '#69bf32' +O GLY C 1 51 30.48 '#5fbb35' +N SER C 1 52 30.06 '#5cb937' +CA SER C 1 52 28.32 '#4fb33b' +C SER C 1 52 27.08 '#45af3f' +O SER C 1 52 27.55 '#48b03d' +CB SER C 1 52 27.29 '#46af3e' +OG SER C 1 52 25.98 '#3cab42' +N ALA C 1 53 26.12 '#3dab41' +CA ALA C 1 53 25.16 '#36a844' +C ALA C 1 53 24.60 '#34a647' +O ALA C 1 53 25.33 '#37a944' +CB ALA C 1 53 25.36 '#37a944' +N GLN C 1 54 23.62 '#34a44d' +CA GLN C 1 54 22.61 '#34a153' +C GLN C 1 54 21.96 '#349f57' +O GLN C 1 54 21.76 '#349e59' +CB GLN C 1 54 23.92 '#34a44b' +CG GLN C 1 54 24.82 '#34a746' +CD GLN C 1 54 27.00 '#44ae3f' +OE1 GLN C 1 54 24.62 '#34a647' +NE2 GLN C 1 54 28.57 '#50b43b' +N VAL C 1 55 22.46 '#34a054' +CA VAL C 1 55 22.89 '#34a252' +C VAL C 1 55 21.91 '#349f58' +O VAL C 1 55 22.35 '#34a055' +CB VAL C 1 55 23.60 '#34a44d' +CG1 VAL C 1 55 22.81 '#34a152' +CG2 VAL C 1 55 21.02 '#349c5d' +N LYS C 1 56 21.99 '#349f57' +CA LYS C 1 56 23.29 '#34a34f' +C LYS C 1 56 21.07 '#349c5d' +O LYS C 1 56 20.83 '#349c5f' +CB LYS C 1 56 30.71 '#61bb35' +CG LYS C 1 56 39.49 '#a6da1d' +CD LYS C 1 56 47.86 '#e8f705' +CE LYS C 1 56 52.62 '#f7f201' +NZ LYS C 1 56 54.59 '#f6e803' +N GLY C 1 57 19.87 '#349965' +CA GLY C 1 57 18.66 '#34956c' +C GLY C 1 57 17.90 '#349371' +O GLY C 1 57 17.83 '#349371' +N HIS C 1 58 16.18 '#348e7c' +CA HIS C 1 58 17.28 '#349275' +C HIS C 1 58 17.01 '#349176' +O HIS C 1 58 16.46 '#348f7a' +CB HIS C 1 58 18.52 '#34956d' +CG HIS C 1 58 21.76 '#349e59' +ND1 HIS C 1 58 21.34 '#349d5b' +CD2 HIS C 1 58 21.97 '#349f57' +CE1 HIS C 1 58 22.75 '#34a153' +NE2 HIS C 1 58 22.66 '#34a153' +N GLY C 1 59 16.71 '#349078' +CA GLY C 1 59 16.06 '#348e7c' +C GLY C 1 59 17.36 '#349274' +O GLY C 1 59 18.34 '#34956e' +N ALA C 1 60 16.20 '#348f7b' +CA ALA C 1 60 15.28 '#348c81' +C ALA C 1 60 14.34 '#348987' +O ALA C 1 60 15.58 '#348d7f' +CB ALA C 1 60 13.09 '#34868f' +N LYS C 1 61 12.61 '#348492' +CA LYS C 1 61 12.25 '#338394' +C LYS C 1 61 10.17 '#337da1' +O LYS C 1 61 9.03 '#337aa8' +CB LYS C 1 61 15.28 '#348c81' +CG LYS C 1 61 16.57 '#349079' +CD LYS C 1 61 21.20 '#349d5c' +CE LYS C 1 61 24.22 '#34a549' +NZ LYS C 1 61 33.11 '#74c42e' +N VAL C 1 62 10.47 '#337e9f' +CA VAL C 1 62 10.77 '#337f9d' +C VAL C 1 62 11.10 '#33809b' +O VAL C 1 62 11.01 '#33809c' +CB VAL C 1 62 8.83 '#337aa9' +CG1 VAL C 1 62 9.65 '#337ca4' +CG2 VAL C 1 62 7.61 '#3376b1' +N ALA C 1 63 11.69 '#338298' +CA ALA C 1 63 11.52 '#338199' +C ALA C 1 63 12.04 '#338395' +O ALA C 1 63 12.24 '#338394' +CB ALA C 1 63 12.07 '#338395' +N ALA C 1 64 11.45 '#338199' +CA ALA C 1 64 10.94 '#33809c' +C ALA C 1 64 10.92 '#33809c' +O ALA C 1 64 10.40 '#337ea0' +CB ALA C 1 64 8.60 '#3379ab' +N ALA C 1 65 12.33 '#338494' +CA ALA C 1 65 13.13 '#34868f' +C ALA C 1 65 12.33 '#338494' +O ALA C 1 65 11.02 '#33809c' +CB ALA C 1 65 13.48 '#34878c' +N LEU C 1 66 12.35 '#338493' +CA LEU C 1 66 14.50 '#348a86' +C LEU C 1 66 16.49 '#348f7a' +O LEU C 1 66 17.84 '#349371' +CB LEU C 1 66 12.13 '#338395' +CG LEU C 1 66 10.40 '#337ea0' +CD1 LEU C 1 66 5.51 '#3370be' +CD2 LEU C 1 66 10.38 '#337ea0' +N THR C 1 67 16.86 '#349077' +CA THR C 1 67 18.06 '#349470' +C THR C 1 67 19.25 '#349768' +O THR C 1 67 20.22 '#349a62' +CB THR C 1 67 17.67 '#349372' +OG1 THR C 1 67 16.77 '#349078' +CG2 THR C 1 67 19.29 '#349768' +N LYS C 1 68 21.09 '#349c5d' +CA LYS C 1 68 23.95 '#34a54b' +C LYS C 1 68 24.29 '#34a549' +O LYS C 1 68 24.53 '#34a647' +CB LYS C 1 68 28.14 '#4db23c' +CG LYS C 1 68 33.90 '#7ac62c' +CD LYS C 1 68 40.17 '#abdc1b' +CE LYS C 1 68 43.74 '#c7e911' +NZ LYS C 1 68 46.47 '#ddf209' +N ALA C 1 69 24.29 '#34a549' +CA ALA C 1 69 23.16 '#34a250' +C ALA C 1 69 23.49 '#34a34e' +O ALA C 1 69 22.76 '#34a152' +CB ALA C 1 69 23.78 '#34a44c' +N VAL C 1 70 23.38 '#34a34f' +CA VAL C 1 70 23.01 '#34a251' +C VAL C 1 70 24.86 '#34a745' +O VAL C 1 70 24.20 '#34a549' +CB VAL C 1 70 17.67 '#349372' +CG1 VAL C 1 70 19.82 '#349965' +CG2 VAL C 1 70 12.04 '#338395' +N GLU C 1 71 27.13 '#45af3f' +CA GLU C 1 71 30.00 '#5cb937' +C GLU C 1 71 30.67 '#61bb35' +O GLU C 1 71 32.57 '#70c230' +CB GLU C 1 71 36.71 '#90d024' +CG GLU C 1 71 48.08 '#e9f805' +CD GLU C 1 71 54.63 '#f6e803' +OE1 GLU C 1 71 57.18 '#f5dc04' +OE2 GLU C 1 71 57.11 '#f5dc04' +N HIS C 1 72 30.88 '#63bc34' +CA HIS C 1 72 30.34 '#5eba36' +C HIS C 1 72 29.28 '#56b639' +O HIS C 1 72 28.68 '#51b43a' +CB HIS C 1 72 35.46 '#87cc28' +CG HIS C 1 72 40.10 '#abdc1b' +ND1 HIS C 1 72 42.40 '#bde414' +CD2 HIS C 1 72 41.71 '#b8e216' +CE1 HIS C 1 72 42.76 '#c0e513' +NE2 HIS C 1 72 43.48 '#c5e811' +N LEU C 1 73 28.01 '#4cb23c' +CA LEU C 1 73 28.37 '#4fb33b' +C LEU C 1 73 29.76 '#5ab837' +O LEU C 1 73 30.00 '#5cb937' +CB LEU C 1 73 23.94 '#34a44b' +CG LEU C 1 73 22.46 '#34a054' +CD1 LEU C 1 73 20.43 '#349b61' +CD2 LEU C 1 73 20.08 '#349a63' +N ASP C 1 74 30.64 '#61bb35' +CA ASP C 1 74 30.55 '#60bb35' +C ASP C 1 74 29.97 '#5bb937' +O ASP C 1 74 30.60 '#60bb35' +CB ASP C 1 74 37.12 '#94d223' +CG ASP C 1 74 42.73 '#c0e514' +OD1 ASP C 1 74 42.34 '#bce415' +OD2 ASP C 1 74 46.91 '#e0f408' +N ASP C 1 75 28.72 '#52b43a' +CA ASP C 1 75 27.93 '#4bb23c' +C ASP C 1 75 26.39 '#3fac41' +O ASP C 1 75 25.22 '#36a844' +CB ASP C 1 75 29.22 '#56b639' +CG ASP C 1 75 32.44 '#6fc130' +OD1 ASP C 1 75 29.84 '#5ab837' +OD2 ASP C 1 75 35.67 '#88cd27' +N LEU C 1 76 25.43 '#38a943' +CA LEU C 1 76 24.19 '#34a54a' +C LEU C 1 76 24.80 '#34a746' +O LEU C 1 76 24.56 '#34a647' +CB LEU C 1 76 22.82 '#34a152' +CG LEU C 1 76 24.79 '#34a746' +CD1 LEU C 1 76 24.77 '#34a746' +CD2 LEU C 1 76 26.72 '#42ad40' +N PRO C 1 77 25.13 '#36a844' +CA PRO C 1 77 25.24 '#36a844' +C PRO C 1 77 24.40 '#34a648' +O PRO C 1 77 23.83 '#34a44c' +CB PRO C 1 77 25.27 '#37a844' +CG PRO C 1 77 25.22 '#36a844' +CD PRO C 1 77 25.66 '#3aaa43' +N GLY C 1 78 23.75 '#34a44c' +CA GLY C 1 78 23.23 '#34a250' +C GLY C 1 78 22.54 '#34a154' +O GLY C 1 78 22.79 '#34a152' +N ALA C 1 79 22.15 '#349f56' +CA ALA C 1 79 22.59 '#34a154' +C ALA C 1 79 23.80 '#34a44c' +O ALA C 1 79 25.26 '#37a844' +CB ALA C 1 79 20.25 '#349a62' +N LEU C 1 80 23.48 '#34a34e' +CA LEU C 1 80 22.83 '#34a152' +C LEU C 1 80 22.46 '#34a054' +O LEU C 1 80 22.82 '#34a152' +CB LEU C 1 80 22.20 '#34a056' +CG LEU C 1 80 22.45 '#34a054' +CD1 LEU C 1 80 21.87 '#349f58' +CD2 LEU C 1 80 22.77 '#34a152' +N SER C 1 81 21.85 '#349f58' +CA SER C 1 81 21.73 '#349e59' +C SER C 1 81 20.71 '#349b5f' +O SER C 1 81 20.78 '#349c5f' +CB SER C 1 81 23.78 '#34a44c' +OG SER C 1 81 32.25 '#6dc130' +N GLU C 1 82 20.28 '#349a62' +CA GLU C 1 82 21.80 '#349e58' +C GLU C 1 82 19.97 '#349964' +O GLU C 1 82 19.79 '#349965' +CB GLU C 1 82 28.44 '#4fb33b' +CG GLU C 1 82 40.07 '#abdc1b' +CD GLU C 1 82 44.32 '#cceb0f' +OE1 GLU C 1 82 42.37 '#bde415' +OE2 GLU C 1 82 49.08 '#f1fb02' +N LEU C 1 83 17.76 '#349372' +CA LEU C 1 83 16.31 '#348f7b' +C LEU C 1 83 15.50 '#348d80' +O LEU C 1 83 16.17 '#348e7c' +CB LEU C 1 83 16.56 '#349079' +CG LEU C 1 83 18.86 '#34966b' +CD1 LEU C 1 83 17.35 '#349274' +CD2 LEU C 1 83 15.36 '#348c81' +N SER C 1 84 15.25 '#348c81' +CA SER C 1 84 15.97 '#348e7d' +C SER C 1 84 16.64 '#349079' +O SER C 1 84 15.82 '#348d7e' +CB SER C 1 84 13.60 '#34878c' +OG SER C 1 84 20.15 '#349a63' +N ASP C 1 85 17.70 '#349372' +CA ASP C 1 85 20.64 '#349b60' +C ASP C 1 85 19.18 '#349769' +O ASP C 1 85 21.06 '#349c5d' +CB ASP C 1 85 26.86 '#43ae3f' +CG ASP C 1 85 32.16 '#6dc031' +OD1 ASP C 1 85 34.49 '#7fc92a' +OD2 ASP C 1 85 33.53 '#77c52d' +N LEU C 1 86 16.99 '#349176' +CA LEU C 1 86 16.51 '#348f79' +C LEU C 1 86 16.56 '#349079' +O LEU C 1 86 16.45 '#348f7a' +CB LEU C 1 86 18.37 '#34956e' +CG LEU C 1 86 19.98 '#349964' +CD1 LEU C 1 86 21.55 '#349e5a' +CD2 LEU C 1 86 20.56 '#349b60' +N HIS C 1 87 15.98 '#348e7d' +CA HIS C 1 87 15.75 '#348d7e' +C HIS C 1 87 13.95 '#348889' +O HIS C 1 87 13.22 '#34868e' +CB HIS C 1 87 15.06 '#348b83' +CG HIS C 1 87 18.65 '#34956c' +ND1 HIS C 1 87 18.07 '#349470' +CD2 HIS C 1 87 16.48 '#348f7a' +CE1 HIS C 1 87 16.51 '#348f79' +NE2 HIS C 1 87 14.36 '#348987' +N ALA C 1 88 13.78 '#34888b' +CA ALA C 1 88 13.62 '#34878c' +C ALA C 1 88 15.79 '#348d7e' +O ALA C 1 88 16.04 '#348e7c' +CB ALA C 1 88 5.87 '#3371bc' +N HIS C 1 89 17.48 '#349273' +CA HIS C 1 89 18.96 '#34966a' +C HIS C 1 89 19.50 '#349867' +O HIS C 1 89 19.73 '#349965' +CB HIS C 1 89 23.89 '#34a44b' +CG HIS C 1 89 30.60 '#60bb35' +ND1 HIS C 1 89 32.97 '#73c32f' +CD2 HIS C 1 89 32.92 '#73c32f' +CE1 HIS C 1 89 33.78 '#79c62c' +NE2 HIS C 1 89 35.91 '#8acd26' +N LYS C 1 90 19.45 '#349867' +CA LYS C 1 90 19.33 '#349768' +C LYS C 1 90 18.09 '#349470' +O LYS C 1 90 19.19 '#349769' +CB LYS C 1 90 25.02 '#35a844' +CG LYS C 1 90 30.44 '#5fba35' +CD LYS C 1 90 34.34 '#7ec82b' +CE LYS C 1 90 36.92 '#92d124' +NZ LYS C 1 90 39.37 '#a5da1d' +N LEU C 1 91 17.62 '#349373' +CA LEU C 1 91 16.88 '#349077' +C LEU C 1 91 16.54 '#348f79' +O LEU C 1 91 18.09 '#349470' +CB LEU C 1 91 14.50 '#348a86' +CG LEU C 1 91 17.67 '#349372' +CD1 LEU C 1 91 18.47 '#34956d' +CD2 LEU C 1 91 11.15 '#33809b' +N ARG C 1 92 17.20 '#349175' +CA ARG C 1 92 16.28 '#348f7b' +C ARG C 1 92 15.04 '#348b83' +O ARG C 1 92 14.49 '#348a86' +CB ARG C 1 92 17.07 '#349176' +CG ARG C 1 92 19.87 '#349965' +CD ARG C 1 92 24.31 '#34a649' +NE ARG C 1 92 28.00 '#4cb23c' +CZ ARG C 1 92 30.63 '#61bb35' +NH1 ARG C 1 92 28.91 '#53b53a' +NH2 ARG C 1 92 31.55 '#68be32' +N VAL C 1 93 14.54 '#348a86' +CA VAL C 1 93 13.56 '#34878c' +C VAL C 1 93 12.94 '#348590' +O VAL C 1 93 13.28 '#34868e' +CB VAL C 1 93 12.87 '#348590' +CG1 VAL C 1 93 9.62 '#337ca4' +CG2 VAL C 1 93 11.70 '#338297' +N ASP C 1 94 13.47 '#34878c' +CA ASP C 1 94 14.68 '#348a85' +C ASP C 1 94 17.18 '#349175' +O ASP C 1 94 19.35 '#349768' +CB ASP C 1 94 13.50 '#34878c' +CG ASP C 1 94 16.12 '#348e7c' +OD1 ASP C 1 94 11.70 '#338297' +OD2 ASP C 1 94 16.54 '#348f79' +N PRO C 1 95 18.09 '#349470' +CA PRO C 1 95 18.57 '#34956d' +C PRO C 1 95 19.60 '#349866' +O PRO C 1 95 19.97 '#349964' +CB PRO C 1 95 18.69 '#34966c' +CG PRO C 1 95 18.52 '#34956d' +CD PRO C 1 95 17.51 '#349273' +N VAL C 1 96 19.58 '#349866' +CA VAL C 1 96 19.51 '#349867' +C VAL C 1 96 18.31 '#34956e' +O VAL C 1 96 17.71 '#349372' +CB VAL C 1 96 21.20 '#349d5c' +CG1 VAL C 1 96 24.49 '#34a648' +CG2 VAL C 1 96 17.23 '#349175' +N ASN C 1 97 16.14 '#348e7c' +CA ASN C 1 97 15.32 '#348c81' +C ASN C 1 97 15.10 '#348b82' +O ASN C 1 97 14.11 '#348988' +CB ASN C 1 97 13.75 '#34888b' +CG ASN C 1 97 14.31 '#348987' +OD1 ASN C 1 97 15.34 '#348c81' +ND2 ASN C 1 97 13.90 '#34888a' +N PHE C 1 98 14.86 '#348b84' +CA PHE C 1 98 16.25 '#348f7b' +C PHE C 1 98 16.72 '#349078' +O PHE C 1 98 16.92 '#349177' +CB PHE C 1 98 14.15 '#348988' +CG PHE C 1 98 18.05 '#349470' +CD1 PHE C 1 98 17.42 '#349274' +CD2 PHE C 1 98 16.26 '#348f7b' +CE1 PHE C 1 98 17.00 '#349176' +CE2 PHE C 1 98 16.96 '#349177' +CZ PHE C 1 98 14.18 '#348988' +N LYS C 1 99 16.13 '#348e7c' +CA LYS C 1 99 16.07 '#348e7c' +C LYS C 1 99 14.23 '#348988' +O LYS C 1 99 12.79 '#348591' +CB LYS C 1 99 21.34 '#349d5b' +CG LYS C 1 99 29.36 '#57b738' +CD LYS C 1 99 37.99 '#9ad521' +CE LYS C 1 99 42.44 '#bde414' +NZ LYS C 1 99 47.64 '#e6f606' +N LEU C 1 100 13.38 '#34868d' +CA LEU C 1 100 11.57 '#338198' +C LEU C 1 100 12.54 '#348492' +O LEU C 1 100 14.73 '#348a85' +CB LEU C 1 100 11.91 '#338296' +CG LEU C 1 100 14.14 '#348988' +CD1 LEU C 1 100 13.12 '#34868f' +CD2 LEU C 1 100 13.42 '#34878d' +N LEU C 1 101 11.35 '#33819a' +CA LEU C 1 101 11.11 '#33809b' +C LEU C 1 101 10.80 '#337f9d' +O LEU C 1 101 8.70 '#3379aa' +CB LEU C 1 101 13.66 '#34878b' +CG LEU C 1 101 17.57 '#349273' +CD1 LEU C 1 101 17.22 '#349175' +CD2 LEU C 1 101 18.53 '#34956d' +N SER C 1 102 12.37 '#338493' +CA SER C 1 102 13.55 '#34878c' +C SER C 1 102 14.18 '#348988' +O SER C 1 102 14.96 '#348b83' +CB SER C 1 102 15.88 '#348e7d' +OG SER C 1 102 18.46 '#34956d' +N HIS C 1 103 14.10 '#348989' +CA HIS C 1 103 14.60 '#348a85' +C HIS C 1 103 14.86 '#348b84' +O HIS C 1 103 14.51 '#348a86' +CB HIS C 1 103 15.08 '#348b82' +CG HIS C 1 103 18.13 '#34946f' +ND1 HIS C 1 103 18.42 '#34956e' +CD2 HIS C 1 103 16.09 '#348e7c' +CE1 HIS C 1 103 17.35 '#349274' +NE2 HIS C 1 103 18.43 '#34956d' +N SER C 1 104 13.90 '#34888a' +CA SER C 1 104 14.12 '#348988' +C SER C 1 104 14.67 '#348a85' +O SER C 1 104 13.70 '#34878b' +CB SER C 1 104 14.08 '#348889' +OG SER C 1 104 18.17 '#34946f' +N LEU C 1 105 14.12 '#348988' +CA LEU C 1 105 15.74 '#348d7e' +C LEU C 1 105 17.47 '#349273' +O LEU C 1 105 17.84 '#349371' +CB LEU C 1 105 19.46 '#349867' +CG LEU C 1 105 23.94 '#34a44b' +CD1 LEU C 1 105 23.34 '#34a34f' +CD2 LEU C 1 105 27.34 '#47b03e' +N LEU C 1 106 16.98 '#349177' +CA LEU C 1 106 18.03 '#349470' +C LEU C 1 106 17.95 '#349370' +O LEU C 1 106 18.45 '#34956d' +CB LEU C 1 106 17.33 '#349274' +CG LEU C 1 106 16.20 '#348f7b' +CD1 LEU C 1 106 14.15 '#348988' +CD2 LEU C 1 106 13.46 '#34878d' +N VAL C 1 107 16.66 '#349079' +CA VAL C 1 107 16.64 '#349079' +C VAL C 1 107 18.01 '#349470' +O VAL C 1 107 18.65 '#34956c' +CB VAL C 1 107 14.15 '#348988' +CG1 VAL C 1 107 14.00 '#348889' +CG2 VAL C 1 107 11.78 '#338297' +N THR C 1 108 18.00 '#349470' +CA THR C 1 108 17.71 '#349372' +C THR C 1 108 17.26 '#349275' +O THR C 1 108 18.37 '#34956e' +CB THR C 1 108 16.90 '#349077' +OG1 THR C 1 108 18.13 '#34946f' +CG2 THR C 1 108 12.06 '#338395' +N LEU C 1 109 16.45 '#348f7a' +CA LEU C 1 109 18.06 '#349470' +C LEU C 1 109 19.38 '#349868' +O LEU C 1 109 20.92 '#349c5e' +CB LEU C 1 109 17.73 '#349372' +CG LEU C 1 109 21.37 '#349d5b' +CD1 LEU C 1 109 21.54 '#349e5a' +CD2 LEU C 1 109 19.12 '#349769' +N ALA C 1 110 18.63 '#34956c' +CA ALA C 1 110 17.62 '#349373' +C ALA C 1 110 18.16 '#34946f' +O ALA C 1 110 15.82 '#348d7e' +CB ALA C 1 110 11.06 '#33809b' +N SER C 1 111 20.58 '#349b60' +CA SER C 1 111 23.76 '#34a44c' +C SER C 1 111 24.98 '#34a745' +O SER C 1 111 24.93 '#34a745' +CB SER C 1 111 26.69 '#42ad40' +OG SER C 1 111 28.39 '#4fb33b' +N HIS C 1 112 25.39 '#38a943' +CA HIS C 1 112 25.03 '#35a844' +C HIS C 1 112 25.68 '#3aaa43' +O HIS C 1 112 27.04 '#44af3f' +CB HIS C 1 112 22.06 '#349f57' +CG HIS C 1 112 21.80 '#349e58' +ND1 HIS C 1 112 22.85 '#34a152' +CD2 HIS C 1 112 22.84 '#34a152' +CE1 HIS C 1 112 21.96 '#349f57' +NE2 HIS C 1 112 24.88 '#34a745' +N LEU C 1 113 25.03 '#35a844' +CA LEU C 1 113 24.88 '#34a745' +C LEU C 1 113 24.67 '#34a747' +O LEU C 1 113 23.11 '#34a250' +CB LEU C 1 113 27.66 '#49b13d' +CG LEU C 1 113 31.34 '#66be33' +CD1 LEU C 1 113 33.14 '#74c42e' +CD2 LEU C 1 113 34.15 '#7cc72b' +N PRO C 1 114 25.46 '#38a943' +CA PRO C 1 114 26.51 '#40ad40' +C PRO C 1 114 27.49 '#48b03e' +O PRO C 1 114 28.69 '#51b43a' +CB PRO C 1 114 26.64 '#41ad40' +CG PRO C 1 114 28.04 '#4cb23c' +CD PRO C 1 114 26.01 '#3cab42' +N SER C 1 115 27.75 '#4ab13d' +CA SER C 1 115 27.81 '#4bb13d' +C SER C 1 115 27.84 '#4bb13d' +O SER C 1 115 30.73 '#61bb35' +CB SER C 1 115 29.65 '#59b838' +OG SER C 1 115 32.40 '#6fc130' +N ASP C 1 116 27.10 '#45af3f' +CA ASP C 1 116 27.73 '#4ab13d' +C ASP C 1 116 26.01 '#3cab42' +O ASP C 1 116 26.23 '#3eac41' +CB ASP C 1 116 32.42 '#6fc130' +CG ASP C 1 116 33.64 '#78c62d' +OD1 ASP C 1 116 33.70 '#79c62c' +OD2 ASP C 1 116 35.45 '#86cc28' +N PHE C 1 117 25.16 '#36a844' +CA PHE C 1 117 24.09 '#34a54a' +C PHE C 1 117 22.79 '#34a152' +O PHE C 1 117 22.12 '#349f56' +CB PHE C 1 117 24.32 '#34a649' +CG PHE C 1 117 23.94 '#34a44b' +CD1 PHE C 1 117 23.08 '#34a250' +CD2 PHE C 1 117 22.03 '#349f57' +CE1 PHE C 1 117 24.20 '#34a549' +CE2 PHE C 1 117 23.11 '#34a250' +CZ PHE C 1 117 23.34 '#34a34f' +N THR C 1 118 22.04 '#349f57' +CA THR C 1 118 20.93 '#349c5e' +C THR C 1 118 21.63 '#349e5a' +O THR C 1 118 21.26 '#349d5c' +CB THR C 1 118 19.45 '#349867' +OG1 THR C 1 118 19.13 '#349769' +CG2 THR C 1 118 20.82 '#349c5f' +N PRO C 1 119 21.77 '#349e59' +CA PRO C 1 119 21.48 '#349e5a' +C PRO C 1 119 20.33 '#349a62' +O PRO C 1 119 20.12 '#349a63' +CB PRO C 1 119 21.41 '#349d5b' +CG PRO C 1 119 22.00 '#349f57' +CD PRO C 1 119 21.92 '#349f58' +N ALA C 1 120 17.97 '#349470' +CA ALA C 1 120 18.46 '#34956d' +C ALA C 1 120 18.70 '#34966c' +O ALA C 1 120 19.26 '#349768' +CB ALA C 1 120 17.27 '#349275' +N VAL C 1 121 18.67 '#34966c' +CA VAL C 1 121 19.00 '#34966a' +C VAL C 1 121 18.03 '#349470' +O VAL C 1 121 17.02 '#349176' +CB VAL C 1 121 21.79 '#349e59' +CG1 VAL C 1 121 19.76 '#349965' +CG2 VAL C 1 121 22.61 '#34a153' +N HIS C 1 122 15.31 '#348c81' +CA HIS C 1 122 15.20 '#348c82' +C HIS C 1 122 15.88 '#348e7d' +O HIS C 1 122 16.61 '#349079' +CB HIS C 1 122 14.51 '#348a86' +CG HIS C 1 122 16.10 '#348e7c' +ND1 HIS C 1 122 17.20 '#349175' +CD2 HIS C 1 122 15.79 '#348d7e' +CE1 HIS C 1 122 17.69 '#349372' +NE2 HIS C 1 122 16.73 '#349078' +N ALA C 1 123 14.28 '#348987' +CA ALA C 1 123 14.17 '#348988' +C ALA C 1 123 14.66 '#348a85' +O ALA C 1 123 13.87 '#34888a' +CB ALA C 1 123 12.48 '#338493' +N SER C 1 124 15.30 '#348c81' +CA SER C 1 124 15.10 '#348b82' +C SER C 1 124 13.30 '#34868e' +O SER C 1 124 12.54 '#348492' +CB SER C 1 124 16.64 '#349079' +OG SER C 1 124 19.14 '#349769' +N LEU C 1 125 12.36 '#338493' +CA LEU C 1 125 14.21 '#348988' +C LEU C 1 125 16.29 '#348f7b' +O LEU C 1 125 16.72 '#349078' +CB LEU C 1 125 13.65 '#34878b' +CG LEU C 1 125 15.99 '#348e7d' +CD1 LEU C 1 125 14.90 '#348b84' +CD2 LEU C 1 125 15.41 '#348c80' +N ASP C 1 126 16.58 '#349079' +CA ASP C 1 126 16.83 '#349077' +C ASP C 1 126 16.88 '#349077' +O ASP C 1 126 18.93 '#34966a' +CB ASP C 1 126 19.22 '#349769' +CG ASP C 1 126 22.24 '#34a056' +OD1 ASP C 1 126 23.41 '#34a34e' +OD2 ASP C 1 126 24.78 '#34a746' +N LYS C 1 127 15.22 '#348c82' +CA LYS C 1 127 14.23 '#348988' +C LYS C 1 127 14.95 '#348b83' +O LYS C 1 127 16.42 '#348f7a' +CB LYS C 1 127 11.61 '#338198' +CG LYS C 1 127 13.43 '#34878d' +CD LYS C 1 127 13.13 '#34868f' +CE LYS C 1 127 17.20 '#349175' +NZ LYS C 1 127 18.64 '#34956c' +N PHE C 1 128 14.19 '#348988' +CA PHE C 1 128 14.38 '#348987' +C PHE C 1 128 14.50 '#348a86' +O PHE C 1 128 13.31 '#34868d' +CB PHE C 1 128 14.19 '#348988' +CG PHE C 1 128 14.30 '#348987' +CD1 PHE C 1 128 14.36 '#348987' +CD2 PHE C 1 128 14.54 '#348a86' +CE1 PHE C 1 128 14.34 '#348987' +CE2 PHE C 1 128 14.66 '#348a85' +CZ PHE C 1 128 14.37 '#348987' +N LEU C 1 129 14.42 '#348987' +CA LEU C 1 129 15.16 '#348c82' +C LEU C 1 129 17.45 '#349274' +O LEU C 1 129 17.60 '#349273' +CB LEU C 1 129 12.91 '#348590' +CG LEU C 1 129 15.56 '#348d7f' +CD1 LEU C 1 129 14.90 '#348b84' +CD2 LEU C 1 129 12.83 '#348590' +N ALA C 1 130 18.42 '#34956e' +CA ALA C 1 130 17.51 '#349273' +C ALA C 1 130 18.71 '#34966c' +O ALA C 1 130 20.53 '#349b60' +CB ALA C 1 130 14.93 '#348b83' +N ASN C 1 131 17.70 '#349372' +CA ASN C 1 131 17.80 '#349371' +C ASN C 1 131 17.26 '#349275' +O ASN C 1 131 16.97 '#349177' +CB ASN C 1 131 23.42 '#34a34e' +CG ASN C 1 131 29.12 '#55b639' +OD1 ASN C 1 131 32.43 '#6fc130' +ND2 ASN C 1 131 33.36 '#76c52d' +N VAL C 1 132 15.29 '#348c81' +CA VAL C 1 132 14.41 '#348987' +C VAL C 1 132 13.08 '#34868f' +O VAL C 1 132 12.27 '#338394' +CB VAL C 1 132 14.29 '#348987' +CG1 VAL C 1 132 15.88 '#348e7d' +CG2 VAL C 1 132 13.49 '#34878c' +N SER C 1 133 11.77 '#338297' +CA SER C 1 133 13.37 '#34868d' +C SER C 1 133 13.79 '#34888a' +O SER C 1 133 14.16 '#348988' +CB SER C 1 133 15.26 '#348c81' +OG SER C 1 133 20.51 '#349b61' +N THR C 1 134 13.27 '#34868e' +CA THR C 1 134 13.62 '#34878c' +C THR C 1 134 15.42 '#348c80' +O THR C 1 134 17.29 '#349275' +CB THR C 1 134 12.76 '#348591' +OG1 THR C 1 134 16.53 '#348f79' +CG2 THR C 1 134 13.83 '#34888a' +N VAL C 1 135 15.55 '#348d7f' +CA VAL C 1 135 16.18 '#348e7c' +C VAL C 1 135 16.37 '#348f7a' +O VAL C 1 135 17.46 '#349274' +CB VAL C 1 135 17.22 '#349175' +CG1 VAL C 1 135 17.08 '#349176' +CG2 VAL C 1 135 18.70 '#34966c' +N LEU C 1 136 15.29 '#348c81' +CA LEU C 1 136 15.88 '#348e7d' +C LEU C 1 136 16.48 '#348f7a' +O LEU C 1 136 16.90 '#349077' +CB LEU C 1 136 15.14 '#348b82' +CG LEU C 1 136 15.55 '#348d7f' +CD1 LEU C 1 136 13.00 '#34858f' +CD2 LEU C 1 136 10.71 '#337f9e' +N THR C 1 137 16.30 '#348f7b' +CA THR C 1 137 17.86 '#349371' +C THR C 1 137 18.40 '#34956e' +O THR C 1 137 19.80 '#349965' +CB THR C 1 137 17.38 '#349274' +OG1 THR C 1 137 18.30 '#34946e' +CG2 THR C 1 137 15.81 '#348d7e' +N SER C 1 138 18.52 '#34956d' +CA SER C 1 138 18.17 '#34946f' +C SER C 1 138 17.76 '#349372' +O SER C 1 138 18.92 '#34966a' +CB SER C 1 138 20.31 '#349a62' +OG SER C 1 138 23.05 '#34a251' +N LYS C 1 139 16.99 '#349176' +CA LYS C 1 139 17.79 '#349371' +C LYS C 1 139 16.99 '#349176' +O LYS C 1 139 17.64 '#349372' +CB LYS C 1 139 20.02 '#349964' +CG LYS C 1 139 23.79 '#34a44c' +CD LYS C 1 139 27.02 '#44af3f' +CE LYS C 1 139 29.28 '#56b639' +NZ LYS C 1 139 30.92 '#63bc34' +N TYR C 1 140 15.79 '#348d7e' +CA TYR C 1 140 16.80 '#349078' +C TYR C 1 140 18.00 '#349470' +O TYR C 1 140 19.98 '#349964' +CB TYR C 1 140 16.36 '#348f7a' +CG TYR C 1 140 15.47 '#348c80' +CD1 TYR C 1 140 14.01 '#348889' +CD2 TYR C 1 140 14.99 '#348b83' +CE1 TYR C 1 140 14.46 '#348a86' +CE2 TYR C 1 140 17.38 '#349274' +CZ TYR C 1 140 15.22 '#348c82' +OH TYR C 1 140 13.28 '#34868e' +N ARG C 1 141 18.97 '#34966a' +CA ARG C 1 141 20.29 '#349a62' +C ARG C 1 141 22.43 '#34a055' +O ARG C 1 141 24.08 '#34a54a' +CB ARG C 1 141 17.41 '#349274' +CG ARG C 1 141 14.49 '#348a86' +CD ARG C 1 141 15.05 '#348b83' +NE ARG C 1 141 16.03 '#348e7c' +CZ ARG C 1 141 16.71 '#349078' +NH1 ARG C 1 141 14.64 '#348a85' +NH2 ARG C 1 141 14.38 '#348987' +OXT ARG C 1 141 23.67 '#34a44d' +N MET D 2 1 55.40 '#f6e503' +CA MET D 2 1 55.44 '#f6e403' +C MET D 2 1 54.15 '#f6eb02' +O MET D 2 1 55.37 '#f6e503' +CB MET D 2 1 58.07 '#f4d805' +CG MET D 2 1 59.70 '#f3d006' +SD MET D 2 1 61.45 '#f3c807' +CE MET D 2 1 60.57 '#f3cc07' +N LEU D 2 2 53.11 '#f7f002' +CA LEU D 2 2 51.51 '#f8f701' +C LEU D 2 2 50.76 '#f8fb00' +O LEU D 2 2 49.73 '#f6fe00' +CB LEU D 2 2 50.29 '#f8fd00' +CG LEU D 2 2 50.51 '#f8fc00' +CD1 LEU D 2 2 51.99 '#f7f501' +CD2 LEU D 2 2 51.15 '#f8f900' +N THR D 2 3 50.79 '#f8fb00' +CA THR D 2 3 49.79 '#f7fe00' +C THR D 2 3 49.67 '#f6fd00' +O THR D 2 3 49.71 '#f6fd00' +CB THR D 2 3 46.85 '#e0f408' +OG1 THR D 2 3 44.36 '#cceb0f' +CG2 THR D 2 3 46.09 '#daf10a' +N ALA D 2 4 49.11 '#f2fb02' +CA ALA D 2 4 48.12 '#eaf805' +C ALA D 2 4 46.38 '#dcf209' +O ALA D 2 4 46.62 '#def309' +CB ALA D 2 4 50.39 '#f8fd00' +N GLU D 2 5 44.31 '#cceb0f' +CA GLU D 2 5 44.68 '#cfec0e' +C GLU D 2 5 42.61 '#bfe514' +O GLU D 2 5 42.37 '#bde415' +CB GLU D 2 5 48.74 '#effa03' +CG GLU D 2 5 55.51 '#f6e403' +CD GLU D 2 5 60.26 '#f3cd06' +OE1 GLU D 2 5 61.73 '#f2c607' +OE2 GLU D 2 5 63.09 '#f2c008' +N GLU D 2 6 40.81 '#b0df19' +CA GLU D 2 6 40.49 '#aedd1a' +C GLU D 2 6 39.46 '#a6da1d' +O GLU D 2 6 39.11 '#a3d91e' +CB GLU D 2 6 41.30 '#b4e018' +CG GLU D 2 6 43.88 '#c9e910' +CD GLU D 2 6 45.86 '#d8f00b' +OE1 GLU D 2 6 44.80 '#d0ec0e' +OE2 GLU D 2 6 47.82 '#e7f706' +N LYS D 2 7 37.95 '#9ad521' +CA LYS D 2 7 37.14 '#94d223' +C LYS D 2 7 35.40 '#86cc28' +O LYS D 2 7 34.28 '#7dc82b' +CB LYS D 2 7 41.95 '#b9e216' +CG LYS D 2 7 48.63 '#eefa03' +CD LYS D 2 7 53.96 '#f6eb02' +CE LYS D 2 7 56.90 '#f5dd04' +NZ LYS D 2 7 59.40 '#f4d106' +N ALA D 2 8 33.94 '#7bc72c' +CA ALA D 2 8 30.62 '#61bb35' +C ALA D 2 8 28.53 '#50b43b' +O ALA D 2 8 29.38 '#57b738' +CB ALA D 2 8 28.40 '#4fb33b' +N ALA D 2 9 25.20 '#36a844' +CA ALA D 2 9 24.80 '#34a746' +C ALA D 2 9 24.88 '#34a745' +O ALA D 2 9 25.27 '#37a844' +CB ALA D 2 9 24.85 '#34a745' +N VAL D 2 10 25.21 '#36a844' +CA VAL D 2 10 26.35 '#3fac41' +C VAL D 2 10 26.22 '#3eac41' +O VAL D 2 10 26.00 '#3cab42' +CB VAL D 2 10 26.72 '#42ad40' +CG1 VAL D 2 10 26.18 '#3eac41' +CG2 VAL D 2 10 26.59 '#41ad40' +N THR D 2 11 26.36 '#3fac41' +CA THR D 2 11 28.37 '#4fb33b' +C THR D 2 11 29.28 '#56b639' +O THR D 2 11 29.59 '#58b738' +CB THR D 2 11 30.33 '#5eba36' +OG1 THR D 2 11 31.05 '#64bd34' +CG2 THR D 2 11 32.78 '#71c32f' +N ALA D 2 12 28.89 '#53b53a' +CA ALA D 2 12 27.64 '#49b13d' +C ALA D 2 12 26.86 '#43ae3f' +O ALA D 2 12 29.11 '#55b639' +CB ALA D 2 12 27.44 '#48b03e' +N PHE D 2 13 24.04 '#34a54a' +CA PHE D 2 13 23.23 '#34a250' +C PHE D 2 13 23.87 '#34a44c' +O PHE D 2 13 22.21 '#34a056' +CB PHE D 2 13 23.68 '#34a44d' +CG PHE D 2 13 23.09 '#34a250' +CD1 PHE D 2 13 21.99 '#349f57' +CD2 PHE D 2 13 23.62 '#34a44d' +CE1 PHE D 2 13 23.12 '#34a250' +CE2 PHE D 2 13 24.44 '#34a648' +CZ PHE D 2 13 25.64 '#3aaa43' +N TRP D 2 14 25.13 '#36a844' +CA TRP D 2 14 26.72 '#42ad40' +C TRP D 2 14 28.62 '#51b43b' +O TRP D 2 14 28.98 '#54b53a' +CB TRP D 2 14 27.01 '#44ae3f' +CG TRP D 2 14 26.59 '#41ad40' +CD1 TRP D 2 14 25.44 '#38a943' +CD2 TRP D 2 14 26.34 '#3fac41' +NE1 TRP D 2 14 26.38 '#3fac41' +CE2 TRP D 2 14 27.06 '#45af3f' +CE3 TRP D 2 14 25.37 '#37a943' +CZ2 TRP D 2 14 27.55 '#48b03d' +CZ3 TRP D 2 14 26.91 '#43ae3f' +CH2 TRP D 2 14 27.13 '#45af3f' +N GLY D 2 15 29.90 '#5bb937' +CA GLY D 2 15 30.62 '#61bb35' +C GLY D 2 15 31.76 '#69bf32' +O GLY D 2 15 35.04 '#83ca29' +N LYS D 2 16 31.41 '#67be33' +CA LYS D 2 16 29.00 '#54b539' +C LYS D 2 16 27.65 '#49b13d' +O LYS D 2 16 27.07 '#45af3f' +CB LYS D 2 16 30.12 '#5db936' +CG LYS D 2 16 32.36 '#6ec130' +CD LYS D 2 16 37.84 '#99d421' +CE LYS D 2 16 37.87 '#99d421' +NZ LYS D 2 16 40.23 '#acdd1a' +N VAL D 2 17 26.06 '#3dab42' +CA VAL D 2 17 26.73 '#42ae40' +C VAL D 2 17 27.45 '#48b03e' +O VAL D 2 17 27.87 '#4bb13d' +CB VAL D 2 17 24.54 '#34a647' +CG1 VAL D 2 17 22.18 '#349f56' +CG2 VAL D 2 17 20.90 '#349c5e' +N LYS D 2 18 28.31 '#4eb33b' +CA LYS D 2 18 29.84 '#5ab837' +C LYS D 2 18 30.29 '#5eba36' +O LYS D 2 18 31.17 '#65bd33' +CB LYS D 2 18 33.98 '#7bc72c' +CG LYS D 2 18 41.43 '#b5e117' +CD LYS D 2 18 44.24 '#cbea0f' +CE LYS D 2 18 44.76 '#cfec0e' +NZ LYS D 2 18 47.60 '#e6f606' +N VAL D 2 19 31.51 '#68be33' +CA VAL D 2 19 33.43 '#77c52d' +C VAL D 2 19 34.79 '#81ca29' +O VAL D 2 19 34.74 '#81c92a' +CB VAL D 2 19 34.08 '#7cc72b' +CG1 VAL D 2 19 36.20 '#8cce26' +CG2 VAL D 2 19 33.69 '#79c62d' +N ASP D 2 20 35.65 '#88cd27' +CA ASP D 2 20 37.48 '#96d322' +C ASP D 2 20 37.97 '#9ad521' +O ASP D 2 20 38.80 '#a1d81e' +CB ASP D 2 20 43.02 '#c2e613' +CG ASP D 2 20 47.88 '#e8f705' +OD1 ASP D 2 20 49.04 '#f1fb02' +OD2 ASP D 2 20 50.26 '#f8fd00' +N GLU D 2 21 37.65 '#98d422' +CA GLU D 2 21 37.23 '#94d223' +C GLU D 2 21 34.24 '#7dc82b' +O GLU D 2 21 33.29 '#75c42e' +CB GLU D 2 21 44.26 '#cbeb0f' +CG GLU D 2 21 52.13 '#f7f401' +CD GLU D 2 21 55.70 '#f6e303' +OE1 GLU D 2 21 56.84 '#f5de04' +OE2 GLU D 2 21 56.29 '#f5e004' +N VAL D 2 22 30.43 '#5fba36' +CA VAL D 2 22 26.55 '#41ad40' +C VAL D 2 22 25.65 '#3aaa43' +O VAL D 2 22 26.62 '#41ad40' +CB VAL D 2 22 24.17 '#34a54a' +CG1 VAL D 2 22 24.57 '#34a647' +CG2 VAL D 2 22 21.44 '#349d5b' +N GLY D 2 23 24.07 '#34a54a' +CA GLY D 2 23 22.05 '#349f57' +C GLY D 2 23 20.98 '#349c5e' +O GLY D 2 23 21.73 '#349e59' +N GLY D 2 24 19.24 '#349768' +CA GLY D 2 24 17.85 '#349371' +C GLY D 2 24 16.89 '#349077' +O GLY D 2 24 14.75 '#348a84' +N GLU D 2 25 17.51 '#349273' +CA GLU D 2 25 18.77 '#34966b' +C GLU D 2 25 18.65 '#34956c' +O GLU D 2 25 18.30 '#34946e' +CB GLU D 2 25 18.03 '#349470' +CG GLU D 2 25 22.29 '#34a055' +CD GLU D 2 25 26.16 '#3eac41' +OE1 GLU D 2 25 24.67 '#34a747' +OE2 GLU D 2 25 27.12 '#45af3f' +N ALA D 2 26 17.06 '#349176' +CA ALA D 2 26 15.96 '#348e7d' +C ALA D 2 26 16.38 '#348f7a' +O ALA D 2 26 15.64 '#348d7f' +CB ALA D 2 26 10.60 '#337f9e' +N LEU D 2 27 15.98 '#348e7d' +CA LEU D 2 27 15.98 '#348e7d' +C LEU D 2 27 16.35 '#348f7a' +O LEU D 2 27 15.42 '#348c80' +CB LEU D 2 27 14.58 '#348a86' +CG LEU D 2 27 16.74 '#349078' +CD1 LEU D 2 27 13.91 '#34888a' +CD2 LEU D 2 27 17.53 '#349273' +N GLY D 2 28 16.90 '#349077' +CA GLY D 2 28 16.59 '#349079' +C GLY D 2 28 15.92 '#348e7d' +O GLY D 2 28 15.83 '#348d7e' +N ARG D 2 29 15.28 '#348c81' +CA ARG D 2 29 15.72 '#348d7e' +C ARG D 2 29 15.98 '#348e7d' +O ARG D 2 29 16.45 '#348f7a' +CB ARG D 2 29 14.83 '#348b84' +CG ARG D 2 29 15.38 '#348c81' +CD ARG D 2 29 15.93 '#348e7d' +NE ARG D 2 29 18.47 '#34956d' +CZ ARG D 2 29 16.72 '#349078' +NH1 ARG D 2 29 14.50 '#348a86' +NH2 ARG D 2 29 14.64 '#348a85' +N LEU D 2 30 14.07 '#348889' +CA LEU D 2 30 12.39 '#338493' +C LEU D 2 30 14.53 '#348a86' +O LEU D 2 30 15.73 '#348d7e' +CB LEU D 2 30 10.77 '#337f9d' +CG LEU D 2 30 12.66 '#348492' +CD1 LEU D 2 30 9.25 '#337ba7' +CD2 LEU D 2 30 12.04 '#338395' +N LEU D 2 31 13.24 '#34868e' +CA LEU D 2 31 12.68 '#348591' +C LEU D 2 31 13.84 '#34888a' +O LEU D 2 31 13.24 '#34868e' +CB LEU D 2 31 13.86 '#34888a' +CG LEU D 2 31 17.66 '#349372' +CD1 LEU D 2 31 18.49 '#34956d' +CD2 LEU D 2 31 14.07 '#348889' +N VAL D 2 32 13.64 '#34878b' +CA VAL D 2 32 13.53 '#34878c' +C VAL D 2 32 14.30 '#348987' +O VAL D 2 32 15.16 '#348c82' +CB VAL D 2 32 12.42 '#338493' +CG1 VAL D 2 32 10.11 '#337da1' +CG2 VAL D 2 32 13.49 '#34878c' +N VAL D 2 33 12.97 '#348590' +CA VAL D 2 33 14.11 '#348988' +C VAL D 2 33 15.45 '#348c80' +O VAL D 2 33 15.39 '#348c80' +CB VAL D 2 33 13.24 '#34868e' +CG1 VAL D 2 33 13.46 '#34878d' +CG2 VAL D 2 33 12.67 '#348491' +N TYR D 2 34 15.36 '#348c81' +CA TYR D 2 34 14.45 '#348a86' +C TYR D 2 34 13.82 '#34888a' +O TYR D 2 34 14.39 '#348987' +CB TYR D 2 34 14.18 '#348988' +CG TYR D 2 34 16.58 '#349079' +CD1 TYR D 2 34 16.99 '#349176' +CD2 TYR D 2 34 15.72 '#348d7e' +CE1 TYR D 2 34 17.61 '#349373' +CE2 TYR D 2 34 15.98 '#348e7d' +CZ TYR D 2 34 18.65 '#34956c' +OH TYR D 2 34 19.84 '#349965' +N PRO D 2 35 14.73 '#348a85' +CA PRO D 2 35 15.46 '#348c80' +C PRO D 2 35 15.87 '#348e7d' +O PRO D 2 35 17.49 '#349273' +CB PRO D 2 35 14.33 '#348987' +CG PRO D 2 35 13.72 '#34878b' +CD PRO D 2 35 14.01 '#348889' +N TRP D 2 36 15.70 '#348d7f' +CA TRP D 2 36 16.68 '#349078' +C TRP D 2 36 16.96 '#349177' +O TRP D 2 36 17.18 '#349175' +CB TRP D 2 36 16.46 '#348f7a' +CG TRP D 2 36 17.72 '#349372' +CD1 TRP D 2 36 19.49 '#349867' +CD2 TRP D 2 36 18.95 '#34966a' +NE1 TRP D 2 36 19.35 '#349768' +CE2 TRP D 2 36 20.28 '#349a62' +CE3 TRP D 2 36 18.55 '#34956d' +CZ2 TRP D 2 36 18.33 '#34956e' +CZ3 TRP D 2 36 19.50 '#349867' +CH2 TRP D 2 36 18.50 '#34956d' +N THR D 2 37 16.42 '#348f7a' +CA THR D 2 37 15.73 '#348d7e' +C THR D 2 37 15.46 '#348c80' +O THR D 2 37 14.88 '#348b84' +CB THR D 2 37 15.31 '#348c81' +OG1 THR D 2 37 15.18 '#348c82' +CG2 THR D 2 37 11.85 '#338297' +N GLN D 2 38 16.65 '#349079' +CA GLN D 2 38 18.51 '#34956d' +C GLN D 2 38 20.55 '#349b60' +O GLN D 2 38 20.92 '#349c5e' +CB GLN D 2 38 15.24 '#348c81' +CG GLN D 2 38 20.99 '#349c5e' +CD GLN D 2 38 24.31 '#34a649' +OE1 GLN D 2 38 23.84 '#34a44c' +NE2 GLN D 2 38 24.85 '#34a745' +N ARG D 2 39 21.20 '#349d5c' +CA ARG D 2 39 22.31 '#34a055' +C ARG D 2 39 23.10 '#34a250' +O ARG D 2 39 25.59 '#39aa43' +CB ARG D 2 39 19.54 '#349867' +CG ARG D 2 39 22.50 '#34a054' +CD ARG D 2 39 21.18 '#349d5c' +NE ARG D 2 39 22.42 '#34a055' +CZ ARG D 2 39 21.09 '#349c5d' +NH1 ARG D 2 39 16.69 '#349078' +NH2 ARG D 2 39 20.70 '#349b5f' +N PHE D 2 40 21.56 '#349e5a' +CA PHE D 2 40 22.71 '#34a153' +C PHE D 2 40 24.29 '#34a549' +O PHE D 2 40 24.11 '#34a54a' +CB PHE D 2 40 20.88 '#349c5e' +CG PHE D 2 40 19.48 '#349867' +CD1 PHE D 2 40 20.77 '#349b5f' +CD2 PHE D 2 40 17.91 '#349371' +CE1 PHE D 2 40 17.44 '#349274' +CE2 PHE D 2 40 18.52 '#34956d' +CZ PHE D 2 40 17.42 '#349274' +N PHE D 2 41 25.42 '#38a943' +CA PHE D 2 41 27.80 '#4ab13d' +C PHE D 2 41 30.18 '#5dba36' +O PHE D 2 41 30.09 '#5cb936' +CB PHE D 2 41 23.95 '#34a54b' +CG PHE D 2 41 22.05 '#349f57' +CD1 PHE D 2 41 19.70 '#349866' +CD2 PHE D 2 41 19.78 '#349965' +CE1 PHE D 2 41 19.68 '#349866' +CE2 PHE D 2 41 19.19 '#349769' +CZ PHE D 2 41 19.80 '#349965' +N GLU D 2 42 32.09 '#6cc031' +CA GLU D 2 42 35.37 '#86cc28' +C GLU D 2 42 35.36 '#86cc28' +O GLU D 2 42 35.33 '#85cb28' +CB GLU D 2 42 43.03 '#c2e613' +CG GLU D 2 42 51.20 '#f8f900' +CD GLU D 2 42 54.09 '#f6eb02' +OE1 GLU D 2 42 54.61 '#f6e803' +OE2 GLU D 2 42 54.57 '#f6e903' +N SER D 2 43 34.93 '#82ca29' +CA SER D 2 43 35.95 '#8ace26' +C SER D 2 43 36.45 '#8ecf25' +O SER D 2 43 36.73 '#90d024' +CB SER D 2 43 39.32 '#a5d91d' +OG SER D 2 43 43.27 '#c4e712' +N PHE D 2 44 36.55 '#8fd025' +CA PHE D 2 44 36.87 '#92d124' +C PHE D 2 44 37.94 '#9ad521' +O PHE D 2 44 38.47 '#9ed61f' +CB PHE D 2 44 33.02 '#73c32e' +CG PHE D 2 44 31.92 '#6bc031' +CD1 PHE D 2 44 30.14 '#5db936' +CD2 PHE D 2 44 30.42 '#5fba36' +CE1 PHE D 2 44 29.14 '#55b639' +CE2 PHE D 2 44 30.16 '#5db936' +CZ PHE D 2 44 28.46 '#50b43b' +N GLY D 2 45 38.37 '#9dd620' +CA GLY D 2 45 39.76 '#a8db1c' +C GLY D 2 45 41.29 '#b4e018' +O GLY D 2 45 41.72 '#b8e216' +N ASP D 2 46 42.72 '#bfe514' +CA ASP D 2 46 42.35 '#bde415' +C ASP D 2 46 40.02 '#aadc1b' +O ASP D 2 46 38.92 '#a2d81e' +CB ASP D 2 46 46.02 '#d9f10a' +CG ASP D 2 46 49.01 '#f1fb02' +OD1 ASP D 2 46 50.24 '#f8fd00' +OD2 ASP D 2 46 50.99 '#f8fa00' +N LEU D 2 47 38.85 '#a1d81e' +CA LEU D 2 47 40.07 '#abdc1b' +C LEU D 2 47 41.03 '#b2df18' +O LEU D 2 47 41.79 '#b8e216' +CB LEU D 2 47 38.61 '#9fd71f' +CG LEU D 2 47 37.54 '#97d322' +CD1 LEU D 2 47 34.99 '#83ca29' +CD2 LEU D 2 47 34.68 '#80c92a' +N SER D 2 48 42.13 '#bbe315' +CA SER D 2 48 41.51 '#b6e117' +C SER D 2 48 40.40 '#addd1a' +O SER D 2 48 40.97 '#b2df18' +CB SER D 2 48 44.06 '#caea10' +OG SER D 2 48 46.22 '#dbf10a' +N THR D 2 49 38.85 '#a1d81e' +CA THR D 2 49 36.38 '#8ecf25' +C THR D 2 49 33.59 '#78c52d' +O THR D 2 49 33.17 '#75c42e' +CB THR D 2 49 37.76 '#99d421' +OG1 THR D 2 49 36.49 '#8fcf25' +CG2 THR D 2 49 37.07 '#93d223' +N ALA D 2 50 32.10 '#6cc031' +CA ALA D 2 50 31.98 '#6bc031' +C ALA D 2 50 31.62 '#68bf32' +O ALA D 2 50 30.18 '#5dba36' +CB ALA D 2 50 30.43 '#5fba36' +N ASP D 2 51 31.84 '#6abf32' +CA ASP D 2 51 32.13 '#6cc031' +C ASP D 2 51 30.44 '#5fba35' +O ASP D 2 51 29.74 '#5ab837' +CB ASP D 2 51 38.66 '#a0d71f' +CG ASP D 2 51 42.65 '#bfe514' +OD1 ASP D 2 51 44.72 '#cfec0e' +OD2 ASP D 2 51 44.88 '#d0ed0e' +N ALA D 2 52 29.05 '#54b639' +CA ALA D 2 52 27.63 '#49b13d' +C ALA D 2 52 26.03 '#3dab42' +O ALA D 2 52 27.15 '#45af3f' +CB ALA D 2 52 26.06 '#3dab42' +N VAL D 2 53 25.33 '#37a944' +CA VAL D 2 53 24.62 '#34a647' +C VAL D 2 53 24.91 '#34a745' +O VAL D 2 53 24.71 '#34a746' +CB VAL D 2 53 21.65 '#349e59' +CG1 VAL D 2 53 18.18 '#34946f' +CG2 VAL D 2 53 18.94 '#34966a' +N MET D 2 54 26.23 '#3eac41' +CA MET D 2 54 29.26 '#56b639' +C MET D 2 54 32.00 '#6bc031' +O MET D 2 54 32.61 '#70c22f' +CB MET D 2 54 28.07 '#4db23c' +CG MET D 2 54 27.34 '#47b03e' +SD MET D 2 54 26.35 '#3fac41' +CE MET D 2 54 24.10 '#34a54a' +N ASN D 2 55 32.93 '#73c32f' +CA ASN D 2 55 33.79 '#79c62c' +C ASN D 2 55 32.96 '#73c32f' +O ASN D 2 55 34.36 '#7ec82b' +CB ASN D 2 55 37.88 '#99d421' +CG ASN D 2 55 41.82 '#b8e216' +OD1 ASN D 2 55 41.55 '#b6e117' +ND2 ASN D 2 55 43.99 '#c9ea10' +N ASN D 2 56 30.50 '#60bb35' +CA ASN D 2 56 27.84 '#4bb13d' +C ASN D 2 56 26.97 '#44ae3f' +O ASN D 2 56 27.46 '#48b03e' +CB ASN D 2 56 24.41 '#34a648' +CG ASN D 2 56 23.01 '#34a251' +OD1 ASN D 2 56 23.95 '#34a54b' +ND2 ASN D 2 56 20.58 '#349b60' +N PRO D 2 57 27.40 '#47b03e' +CA PRO D 2 57 27.08 '#45af3f' +C PRO D 2 57 25.54 '#39a943' +O PRO D 2 57 25.31 '#37a944' +CB PRO D 2 57 27.24 '#46af3e' +CG PRO D 2 57 27.60 '#49b13d' +CD PRO D 2 57 27.36 '#47b03e' +N LYS D 2 58 24.11 '#34a54a' +CA LYS D 2 58 24.65 '#34a747' +C LYS D 2 58 23.67 '#34a44d' +O LYS D 2 58 23.80 '#34a44c' +CB LYS D 2 58 26.30 '#3fac41' +CG LYS D 2 58 32.27 '#6dc130' +CD LYS D 2 58 37.29 '#95d223' +CE LYS D 2 58 41.42 '#b5e117' +NZ LYS D 2 58 43.71 '#c7e911' +N VAL D 2 59 22.38 '#34a055' +CA VAL D 2 59 22.28 '#34a055' +C VAL D 2 59 23.29 '#34a34f' +O VAL D 2 59 23.88 '#34a44b' +CB VAL D 2 59 21.12 '#349c5d' +CG1 VAL D 2 59 18.31 '#34956e' +CG2 VAL D 2 59 18.31 '#34956e' +N LYS D 2 60 24.15 '#34a54a' +CA LYS D 2 60 24.45 '#34a648' +C LYS D 2 60 23.02 '#34a251' +O LYS D 2 60 22.06 '#349f57' +CB LYS D 2 60 28.22 '#4eb33c' +CG LYS D 2 60 35.55 '#87cc27' +CD LYS D 2 60 42.70 '#bfe514' +CE LYS D 2 60 47.58 '#e6f606' +NZ LYS D 2 60 51.79 '#f8f601' +N ALA D 2 61 22.91 '#34a252' +CA ALA D 2 61 22.87 '#34a152' +C ALA D 2 61 22.15 '#349f56' +O ALA D 2 61 21.87 '#349f58' +CB ALA D 2 61 22.49 '#34a054' +N HIS D 2 62 21.47 '#349d5b' +CA HIS D 2 62 21.13 '#349d5d' +C HIS D 2 62 20.85 '#349c5e' +O HIS D 2 62 18.73 '#34966c' +CB HIS D 2 62 22.35 '#34a055' +CG HIS D 2 62 24.38 '#34a648' +ND1 HIS D 2 62 24.29 '#34a549' +CD2 HIS D 2 62 24.25 '#34a549' +CE1 HIS D 2 62 24.15 '#34a54a' +NE2 HIS D 2 62 24.63 '#34a647' +N GLY D 2 63 21.10 '#349c5d' +CA GLY D 2 63 21.92 '#349f58' +C GLY D 2 63 22.78 '#34a152' +O GLY D 2 63 22.27 '#34a056' +N LYS D 2 64 24.74 '#34a746' +CA LYS D 2 64 25.07 '#35a844' +C LYS D 2 64 24.07 '#34a54a' +O LYS D 2 64 23.86 '#34a44c' +CB LYS D 2 64 29.34 '#57b739' +CG LYS D 2 64 32.99 '#73c32e' +CD LYS D 2 64 37.05 '#93d123' +CE LYS D 2 64 40.00 '#aadc1b' +NZ LYS D 2 64 42.37 '#bde415' +N LYS D 2 65 23.24 '#34a34f' +CA LYS D 2 65 22.82 '#34a152' +C LYS D 2 65 22.33 '#34a055' +O LYS D 2 65 22.69 '#34a153' +CB LYS D 2 65 24.29 '#34a549' +CG LYS D 2 65 30.04 '#5cb937' +CD LYS D 2 65 34.98 '#83ca29' +CE LYS D 2 65 36.94 '#92d124' +NZ LYS D 2 65 39.75 '#a8db1c' +N VAL D 2 66 20.15 '#349a63' +CA VAL D 2 66 18.29 '#34946e' +C VAL D 2 66 18.37 '#34956e' +O VAL D 2 66 16.23 '#348f7b' +CB VAL D 2 66 17.04 '#349176' +CG1 VAL D 2 66 14.54 '#348a86' +CG2 VAL D 2 66 18.52 '#34956d' +N LEU D 2 67 18.89 '#34966b' +CA LEU D 2 67 20.36 '#349a61' +C LEU D 2 67 20.48 '#349b61' +O LEU D 2 67 19.37 '#349868' +CB LEU D 2 67 22.78 '#34a152' +CG LEU D 2 67 25.73 '#3aaa42' +CD1 LEU D 2 67 27.00 '#44ae3f' +CD2 LEU D 2 67 27.06 '#45af3f' +N ASP D 2 68 22.47 '#34a054' +CA ASP D 2 68 23.53 '#34a34e' +C ASP D 2 68 22.70 '#34a153' +O ASP D 2 68 22.81 '#34a152' +CB ASP D 2 68 30.11 '#5db936' +CG ASP D 2 68 37.14 '#94d223' +OD1 ASP D 2 68 38.86 '#a1d81e' +OD2 ASP D 2 68 41.70 '#b7e216' +N SER D 2 69 22.44 '#34a054' +CA SER D 2 69 22.54 '#34a154' +C SER D 2 69 23.04 '#34a251' +O SER D 2 69 21.84 '#349f58' +CB SER D 2 69 22.72 '#34a153' +OG SER D 2 69 26.43 '#40ac41' +N PHE D 2 70 23.51 '#34a34e' +CA PHE D 2 70 21.96 '#349f57' +C PHE D 2 70 22.06 '#349f57' +O PHE D 2 70 20.76 '#349b5f' +CB PHE D 2 70 21.94 '#349f58' +CG PHE D 2 70 23.79 '#34a44c' +CD1 PHE D 2 70 23.52 '#34a34e' +CD2 PHE D 2 70 25.57 '#39a943' +CE1 PHE D 2 70 24.72 '#34a746' +CE2 PHE D 2 70 24.34 '#34a649' +CZ PHE D 2 70 23.05 '#34a251' +N SER D 2 71 23.20 '#34a250' +CA SER D 2 71 24.56 '#34a647' +C SER D 2 71 26.72 '#42ad40' +O SER D 2 71 26.88 '#43ae3f' +CB SER D 2 71 21.69 '#349e59' +OG SER D 2 71 23.90 '#34a44b' +N ASN D 2 72 28.32 '#4fb33b' +CA ASN D 2 72 30.98 '#63bc34' +C ASN D 2 72 31.45 '#67be33' +O ASN D 2 72 32.23 '#6dc131' +CB ASN D 2 72 37.24 '#94d223' +CG ASN D 2 72 44.94 '#d1ed0d' +OD1 ASN D 2 72 47.94 '#e8f705' +ND2 ASN D 2 72 44.61 '#ceec0e' +N GLY D 2 73 31.38 '#67be33' +CA GLY D 2 73 31.01 '#64bc34' +C GLY D 2 73 31.14 '#65bd34' +O GLY D 2 73 31.97 '#6bc031' +N MET D 2 74 31.13 '#65bd34' +CA MET D 2 74 29.83 '#5ab837' +C MET D 2 74 29.88 '#5bb837' +O MET D 2 74 29.30 '#56b639' +CB MET D 2 74 28.27 '#4eb33b' +CG MET D 2 74 30.66 '#61bb35' +SD MET D 2 74 32.19 '#6dc131' +CE MET D 2 74 31.34 '#66be33' +N LYS D 2 75 30.51 '#60bb35' +CA LYS D 2 75 32.89 '#72c32f' +C LYS D 2 75 33.97 '#7bc72c' +O LYS D 2 75 35.08 '#84cb29' +CB LYS D 2 75 36.67 '#90d024' +CG LYS D 2 75 41.12 '#b3e018' +CD LYS D 2 75 44.89 '#d0ed0e' +CE LYS D 2 75 44.58 '#ceec0e' +NZ LYS D 2 75 38.85 '#a1d81e' +N HIS D 2 76 34.59 '#80c92a' +CA HIS D 2 76 35.59 '#88cc27' +C HIS D 2 76 35.77 '#89cd27' +O HIS D 2 76 36.15 '#8cce26' +CB HIS D 2 76 37.96 '#9ad521' +CG HIS D 2 76 41.96 '#b9e316' +ND1 HIS D 2 76 43.99 '#c9ea10' +CD2 HIS D 2 76 43.93 '#c9e910' +CE1 HIS D 2 76 45.55 '#d6ef0c' +NE2 HIS D 2 76 46.14 '#daf10a' +N LEU D 2 77 34.78 '#81ca2a' +CA LEU D 2 77 34.67 '#80c92a' +C LEU D 2 77 35.92 '#8ace26' +O LEU D 2 77 35.51 '#87cc27' +CB LEU D 2 77 32.22 '#6dc131' +CG LEU D 2 77 30.74 '#62bb35' +CD1 LEU D 2 77 29.97 '#5bb937' +CD2 LEU D 2 77 30.39 '#5fba36' +N ASP D 2 78 37.62 '#97d322' +CA ASP D 2 78 39.79 '#a8db1c' +C ASP D 2 78 38.48 '#9ed61f' +O ASP D 2 78 38.90 '#a1d81e' +CB ASP D 2 78 47.37 '#e4f507' +CG ASP D 2 78 54.17 '#f6ea02' +OD1 ASP D 2 78 56.84 '#f5de04' +OD2 ASP D 2 78 55.01 '#f6e603' +N ASP D 2 79 36.72 '#90d024' +CA ASP D 2 79 35.34 '#86cb28' +C ASP D 2 79 33.23 '#75c42e' +O ASP D 2 79 31.92 '#6bc031' +CB ASP D 2 79 39.62 '#a7da1c' +CG ASP D 2 79 43.62 '#c6e811' +OD1 ASP D 2 79 44.71 '#cfec0e' +OD2 ASP D 2 79 43.12 '#c3e712' +N LEU D 2 80 32.60 '#70c230' +CA LEU D 2 80 30.36 '#5fba36' +C LEU D 2 80 30.10 '#5cb936' +O LEU D 2 80 30.07 '#5cb937' +CB LEU D 2 80 28.10 '#4db23c' +CG LEU D 2 80 27.38 '#47b03e' +CD1 LEU D 2 80 24.33 '#34a649' +CD2 LEU D 2 80 25.70 '#3aaa43' +N LYS D 2 81 30.34 '#5eba36' +CA LYS D 2 81 31.56 '#68be32' +C LYS D 2 81 31.74 '#69bf32' +O LYS D 2 81 32.01 '#6bc031' +CB LYS D 2 81 32.85 '#72c32f' +CG LYS D 2 81 38.87 '#a1d81e' +CD LYS D 2 81 43.12 '#c3e712' +CE LYS D 2 81 45.98 '#d9f10b' +NZ LYS D 2 81 48.54 '#edf904' +N GLY D 2 82 30.43 '#5fba36' +CA GLY D 2 82 28.60 '#51b43b' +C GLY D 2 82 28.38 '#4fb33b' +O GLY D 2 82 28.50 '#50b43b' +N THR D 2 83 27.66 '#49b13d' +CA THR D 2 83 27.37 '#47b03e' +C THR D 2 83 27.48 '#48b03e' +O THR D 2 83 28.87 '#53b53a' +CB THR D 2 83 26.78 '#42ae40' +OG1 THR D 2 83 26.79 '#43ae40' +CG2 THR D 2 83 27.30 '#47b03e' +N PHE D 2 84 26.00 '#3cab42' +CA PHE D 2 84 24.76 '#34a746' +C PHE D 2 84 23.17 '#34a250' +O PHE D 2 84 23.66 '#34a44d' +CB PHE D 2 84 25.15 '#36a844' +CG PHE D 2 84 26.02 '#3cab42' +CD1 PHE D 2 84 28.20 '#4eb33c' +CD2 PHE D 2 84 30.11 '#5db936' +CE1 PHE D 2 84 28.22 '#4eb33c' +CE2 PHE D 2 84 30.21 '#5dba36' +CZ PHE D 2 84 30.29 '#5eba36' +N ALA D 2 85 21.94 '#349f58' +CA ALA D 2 85 21.57 '#349e5a' +C ALA D 2 85 21.48 '#349e5a' +O ALA D 2 85 20.02 '#349964' +CB ALA D 2 85 22.87 '#34a152' +N ALA D 2 86 21.10 '#349c5d' +CA ALA D 2 86 20.57 '#349b60' +C ALA D 2 86 19.34 '#349768' +O ALA D 2 86 19.00 '#34966a' +CB ALA D 2 86 20.54 '#349b60' +N LEU D 2 87 19.72 '#349965' +CA LEU D 2 87 18.19 '#34946f' +C LEU D 2 87 16.30 '#348f7b' +O LEU D 2 87 15.41 '#348c80' +CB LEU D 2 87 19.27 '#349768' +CG LEU D 2 87 21.46 '#349d5b' +CD1 LEU D 2 87 22.16 '#349f56' +CD2 LEU D 2 87 21.08 '#349c5d' +N SER D 2 88 16.04 '#348e7c' +CA SER D 2 88 15.84 '#348d7e' +C SER D 2 88 15.25 '#348c81' +O SER D 2 88 15.00 '#348b83' +CB SER D 2 88 14.82 '#348b84' +OG SER D 2 88 15.43 '#348c80' +N GLU D 2 89 16.13 '#348e7c' +CA GLU D 2 89 19.08 '#349769' +C GLU D 2 89 17.81 '#349371' +O GLU D 2 89 17.67 '#349372' +CB GLU D 2 89 27.68 '#4ab13d' +CG GLU D 2 89 39.86 '#a9db1b' +CD GLU D 2 89 47.37 '#e4f507' +OE1 GLU D 2 89 49.65 '#f6fd00' +OE2 GLU D 2 89 49.49 '#f5fd01' +N LEU D 2 90 16.86 '#349077' +CA LEU D 2 90 16.19 '#348e7b' +C LEU D 2 90 15.01 '#348b83' +O LEU D 2 90 16.25 '#348f7b' +CB LEU D 2 90 19.88 '#349964' +CG LEU D 2 90 21.56 '#349e5a' +CD1 LEU D 2 90 23.99 '#34a54b' +CD2 LEU D 2 90 24.19 '#34a54a' +N HIS D 2 91 13.56 '#34878c' +CA HIS D 2 91 16.09 '#348e7c' +C HIS D 2 91 16.56 '#349079' +O HIS D 2 91 16.22 '#348f7b' +CB HIS D 2 91 12.84 '#348590' +CG HIS D 2 91 16.09 '#348e7c' +ND1 HIS D 2 91 15.63 '#348d7f' +CD2 HIS D 2 91 14.76 '#348a84' +CE1 HIS D 2 91 15.99 '#348e7d' +NE2 HIS D 2 91 15.42 '#348c80' +N CYS D 2 92 16.12 '#348e7c' +CA CYS D 2 92 16.54 '#348f79' +C CYS D 2 92 17.23 '#349175' +O CYS D 2 92 16.51 '#348f79' +CB CYS D 2 92 14.22 '#348988' +SG CYS D 2 92 17.35 '#349274' +N ASP D 2 93 18.04 '#349470' +CA ASP D 2 93 20.77 '#349b5f' +C ASP D 2 93 20.91 '#349c5e' +O ASP D 2 93 21.99 '#349f57' +CB ASP D 2 93 25.40 '#38a943' +CG ASP D 2 93 28.77 '#52b53a' +OD1 ASP D 2 93 28.20 '#4eb33c' +OD2 ASP D 2 93 32.99 '#73c32e' +N LYS D 2 94 21.06 '#349c5d' +CA LYS D 2 94 22.09 '#349f57' +C LYS D 2 94 21.08 '#349c5d' +O LYS D 2 94 21.11 '#349c5d' +CB LYS D 2 94 26.55 '#41ad40' +CG LYS D 2 94 34.92 '#82ca29' +CD LYS D 2 94 40.60 '#afde19' +CE LYS D 2 94 43.98 '#c9ea10' +NZ LYS D 2 94 43.65 '#c7e811' +N LEU D 2 95 19.50 '#349867' +CA LEU D 2 95 19.05 '#34976a' +C LEU D 2 95 17.02 '#349176' +O LEU D 2 95 14.71 '#348a85' +CB LEU D 2 95 20.85 '#349c5e' +CG LEU D 2 95 21.73 '#349e59' +CD1 LEU D 2 95 18.87 '#34966b' +CD2 LEU D 2 95 21.41 '#349d5b' +N HIS D 2 96 17.33 '#349274' +CA HIS D 2 96 17.90 '#349371' +C HIS D 2 96 15.70 '#348d7f' +O HIS D 2 96 13.58 '#34878c' +CB HIS D 2 96 20.27 '#349a62' +CG HIS D 2 96 26.00 '#3cab42' +ND1 HIS D 2 96 27.42 '#47b03e' +CD2 HIS D 2 96 26.48 '#40ad40' +CE1 HIS D 2 96 26.02 '#3cab42' +NE2 HIS D 2 96 27.10 '#45af3f' +N VAL D 2 97 15.66 '#348d7f' +CA VAL D 2 97 16.28 '#348f7b' +C VAL D 2 97 15.38 '#348c81' +O VAL D 2 97 15.55 '#348d7f' +CB VAL D 2 97 15.97 '#348e7d' +CG1 VAL D 2 97 12.27 '#338394' +CG2 VAL D 2 97 14.85 '#348b84' +N ASP D 2 98 15.77 '#348d7e' +CA ASP D 2 98 14.04 '#348889' +C ASP D 2 98 14.24 '#348988' +O ASP D 2 98 13.65 '#34878b' +CB ASP D 2 98 12.02 '#338395' +CG ASP D 2 98 11.97 '#338296' +OD1 ASP D 2 98 11.78 '#338297' +OD2 ASP D 2 98 11.03 '#33809c' +N PRO D 2 99 12.06 '#338395' +CA PRO D 2 99 11.33 '#33819a' +C PRO D 2 99 11.88 '#338296' +O PRO D 2 99 12.26 '#338394' +CB PRO D 2 99 9.04 '#337aa8' +CG PRO D 2 99 9.52 '#337ca5' +CD PRO D 2 99 10.93 '#33809c' +N GLU D 2 100 12.46 '#338493' +CA GLU D 2 100 14.42 '#348987' +C GLU D 2 100 15.01 '#348b83' +O GLU D 2 100 15.00 '#348b83' +CB GLU D 2 100 18.24 '#34946f' +CG GLU D 2 100 24.30 '#34a649' +CD GLU D 2 100 29.71 '#59b838' +OE1 GLU D 2 100 30.25 '#5eba36' +OE2 GLU D 2 100 32.23 '#6dc131' +N ASN D 2 101 14.69 '#348a85' +CA ASN D 2 101 15.39 '#348c80' +C ASN D 2 101 15.19 '#348c82' +O ASN D 2 101 14.16 '#348988' +CB ASN D 2 101 18.11 '#34946f' +CG ASN D 2 101 22.56 '#34a154' +OD1 ASN D 2 101 25.73 '#3aaa42' +ND2 ASN D 2 101 20.90 '#349c5e' +N PHE D 2 102 14.88 '#348b84' +CA PHE D 2 102 14.81 '#348b84' +C PHE D 2 102 14.96 '#348b83' +O PHE D 2 102 13.99 '#348889' +CB PHE D 2 102 12.06 '#338395' +CG PHE D 2 102 13.66 '#34878b' +CD1 PHE D 2 102 12.61 '#348492' +CD2 PHE D 2 102 13.03 '#34868f' +CE1 PHE D 2 102 13.51 '#34878c' +CE2 PHE D 2 102 11.64 '#338298' +CZ PHE D 2 102 10.02 '#337da2' +N LYS D 2 103 14.52 '#348a86' +CA LYS D 2 103 14.57 '#348a86' +C LYS D 2 103 13.92 '#34888a' +O LYS D 2 103 14.71 '#348a85' +CB LYS D 2 103 16.19 '#348e7b' +CG LYS D 2 103 22.40 '#34a055' +CD LYS D 2 103 31.71 '#69bf32' +CE LYS D 2 103 37.52 '#97d322' +NZ LYS D 2 103 37.38 '#96d322' +N LEU D 2 104 12.58 '#348492' +CA LEU D 2 104 13.12 '#34868f' +C LEU D 2 104 13.90 '#34888a' +O LEU D 2 104 12.56 '#348492' +CB LEU D 2 104 12.85 '#348590' +CG LEU D 2 104 15.93 '#348e7d' +CD1 LEU D 2 104 15.98 '#348e7d' +CD2 LEU D 2 104 13.66 '#34878b' +N LEU D 2 105 12.81 '#348591' +CA LEU D 2 105 14.89 '#348b84' +C LEU D 2 105 15.22 '#348c82' +O LEU D 2 105 13.54 '#34878c' +CB LEU D 2 105 15.74 '#348d7e' +CG LEU D 2 105 17.62 '#349373' +CD1 LEU D 2 105 19.02 '#34976a' +CD2 LEU D 2 105 17.59 '#349273' +N GLY D 2 106 15.43 '#348c80' +CA GLY D 2 106 16.18 '#348e7c' +C GLY D 2 106 17.49 '#349273' +O GLY D 2 106 18.96 '#34966a' +N ASN D 2 107 17.30 '#349275' +CA ASN D 2 107 18.38 '#34956e' +C ASN D 2 107 16.35 '#348f7a' +O ASN D 2 107 16.19 '#348e7b' +CB ASN D 2 107 24.12 '#34a54a' +CG ASN D 2 107 29.81 '#5ab837' +OD1 ASN D 2 107 29.29 '#56b639' +ND2 ASN D 2 107 34.56 '#7fc92a' +N VAL D 2 108 14.53 '#348a86' +CA VAL D 2 108 13.24 '#34868e' +C VAL D 2 108 15.08 '#348b82' +O VAL D 2 108 16.34 '#348f7b' +CB VAL D 2 108 9.16 '#337ba7' +CG1 VAL D 2 108 8.85 '#337aa9' +CG2 VAL D 2 108 8.88 '#337aa9' +N LEU D 2 109 15.30 '#348c81' +CA LEU D 2 109 15.03 '#348b83' +C LEU D 2 109 16.44 '#348f7a' +O LEU D 2 109 17.48 '#349273' +CB LEU D 2 109 14.50 '#348a86' +CG LEU D 2 109 16.26 '#348f7b' +CD1 LEU D 2 109 17.10 '#349176' +CD2 LEU D 2 109 15.27 '#348c81' +N VAL D 2 110 16.37 '#348f7a' +CA VAL D 2 110 17.15 '#349175' +C VAL D 2 110 17.65 '#349372' +O VAL D 2 110 18.89 '#34966b' +CB VAL D 2 110 15.67 '#348d7f' +CG1 VAL D 2 110 13.43 '#34878d' +CG2 VAL D 2 110 20.89 '#349c5e' +N VAL D 2 111 18.37 '#34956e' +CA VAL D 2 111 19.16 '#349769' +C VAL D 2 111 19.96 '#349964' +O VAL D 2 111 20.29 '#349a62' +CB VAL D 2 111 16.78 '#349078' +CG1 VAL D 2 111 16.59 '#349079' +CG2 VAL D 2 111 15.21 '#348c82' +N VAL D 2 112 18.46 '#34956d' +CA VAL D 2 112 16.34 '#348f7b' +C VAL D 2 112 16.87 '#349077' +O VAL D 2 112 18.10 '#349470' +CB VAL D 2 112 14.79 '#348b84' +CG1 VAL D 2 112 11.09 '#33809b' +CG2 VAL D 2 112 11.62 '#338298' +N LEU D 2 113 16.88 '#349077' +CA LEU D 2 113 18.04 '#349470' +C LEU D 2 113 20.81 '#349c5f' +O LEU D 2 113 20.64 '#349b60' +CB LEU D 2 113 13.83 '#34888a' +CG LEU D 2 113 13.59 '#34878c' +CD1 LEU D 2 113 11.73 '#338297' +CD2 LEU D 2 113 12.85 '#348590' +N ALA D 2 114 22.04 '#349f57' +CA ALA D 2 114 22.19 '#34a056' +C ALA D 2 114 20.03 '#349964' +O ALA D 2 114 17.79 '#349371' +CB ALA D 2 114 22.73 '#34a153' +N ARG D 2 115 18.82 '#34966b' +CA ARG D 2 115 19.93 '#349964' +C ARG D 2 115 21.83 '#349e58' +O ARG D 2 115 21.77 '#349e59' +CB ARG D 2 115 19.98 '#349964' +CG ARG D 2 115 21.01 '#349c5d' +CD ARG D 2 115 25.36 '#37a944' +NE ARG D 2 115 33.26 '#75c42e' +CZ ARG D 2 115 34.19 '#7dc72b' +NH1 ARG D 2 115 32.73 '#71c22f' +NH2 ARG D 2 115 38.48 '#9ed61f' +N ASN D 2 116 21.77 '#349e59' +CA ASN D 2 116 22.28 '#34a055' +C ASN D 2 116 22.07 '#349f57' +O ASN D 2 116 23.36 '#34a34f' +CB ASN D 2 116 24.11 '#34a54a' +CG ASN D 2 116 27.80 '#4ab13d' +OD1 ASN D 2 116 29.58 '#58b738' +ND2 ASN D 2 116 28.72 '#52b43a' +N PHE D 2 117 21.64 '#349e59' +CA PHE D 2 117 23.59 '#34a34d' +C PHE D 2 117 24.15 '#34a54a' +O PHE D 2 117 22.57 '#34a154' +CB PHE D 2 117 24.70 '#34a746' +CG PHE D 2 117 28.25 '#4eb33c' +CD1 PHE D 2 117 29.56 '#58b738' +CD2 PHE D 2 117 28.55 '#50b43b' +CE1 PHE D 2 117 29.17 '#55b639' +CE2 PHE D 2 117 28.98 '#54b53a' +CZ PHE D 2 117 28.82 '#52b53a' +N GLY D 2 118 24.72 '#34a746' +CA GLY D 2 118 26.47 '#40ad40' +C GLY D 2 118 28.85 '#53b53a' +O GLY D 2 118 28.54 '#50b43b' +N LYS D 2 119 29.50 '#58b738' +CA LYS D 2 119 31.80 '#6abf32' +C LYS D 2 119 31.93 '#6bc031' +O LYS D 2 119 31.81 '#6abf32' +CB LYS D 2 119 36.90 '#92d124' +CG LYS D 2 119 42.36 '#bde415' +CD LYS D 2 119 45.59 '#d6ef0c' +CE LYS D 2 119 47.84 '#e8f705' +NZ LYS D 2 119 49.27 '#f3fc02' +N GLU D 2 120 31.57 '#68be32' +CA GLU D 2 120 32.45 '#6fc130' +C GLU D 2 120 30.68 '#61bb35' +O GLU D 2 120 29.87 '#5bb837' +CB GLU D 2 120 37.62 '#97d322' +CG GLU D 2 120 42.75 '#c0e514' +CD GLU D 2 120 45.45 '#d5ef0c' +OE1 GLU D 2 120 44.47 '#cdeb0f' +OE2 GLU D 2 120 46.58 '#def309' +N PHE D 2 121 30.07 '#5cb937' +CA PHE D 2 121 29.08 '#54b639' +C PHE D 2 121 27.22 '#46af3e' +O PHE D 2 121 28.05 '#4cb23c' +CB PHE D 2 121 29.05 '#54b639' +CG PHE D 2 121 30.60 '#60bb35' +CD1 PHE D 2 121 30.08 '#5cb936' +CD2 PHE D 2 121 29.62 '#59b838' +CE1 PHE D 2 121 29.96 '#5bb937' +CE2 PHE D 2 121 31.29 '#66bd33' +CZ PHE D 2 121 29.65 '#59b838' +N THR D 2 122 25.17 '#36a844' +CA THR D 2 122 24.40 '#34a648' +C THR D 2 122 24.83 '#34a746' +O THR D 2 122 26.17 '#3eac41' +CB THR D 2 122 22.20 '#34a056' +OG1 THR D 2 122 17.93 '#349371' +CG2 THR D 2 122 20.44 '#349b61' +N PRO D 2 123 24.69 '#34a746' +CA PRO D 2 123 24.32 '#34a649' +C PRO D 2 123 24.16 '#34a54a' +O PRO D 2 123 25.83 '#3baa42' +CB PRO D 2 123 23.47 '#34a34e' +CG PRO D 2 123 22.53 '#34a054' +CD PRO D 2 123 23.68 '#34a44d' +N VAL D 2 124 22.66 '#34a153' +CA VAL D 2 124 23.03 '#34a251' +C VAL D 2 124 23.97 '#34a54b' +O VAL D 2 124 23.64 '#34a44d' +CB VAL D 2 124 24.25 '#34a549' +CG1 VAL D 2 124 24.82 '#34a746' +CG2 VAL D 2 124 25.55 '#39a943' +N LEU D 2 125 24.16 '#34a54a' +CA LEU D 2 125 24.88 '#34a745' +C LEU D 2 125 23.15 '#34a250' +O LEU D 2 125 24.61 '#34a647' +CB LEU D 2 125 27.55 '#48b03d' +CG LEU D 2 125 30.15 '#5db936' +CD1 LEU D 2 125 27.55 '#48b03d' +CD2 LEU D 2 125 30.86 '#62bc34' +N GLN D 2 126 21.20 '#349d5c' +CA GLN D 2 126 21.18 '#349d5c' +C GLN D 2 126 21.08 '#349c5d' +O GLN D 2 126 20.62 '#349b60' +CB GLN D 2 126 20.30 '#349a62' +CG GLN D 2 126 22.52 '#34a054' +CD GLN D 2 126 25.25 '#36a844' +OE1 GLN D 2 126 25.30 '#37a944' +NE2 GLN D 2 126 27.81 '#4bb13d' +N ALA D 2 127 19.72 '#349965' +CA ALA D 2 127 21.04 '#349c5d' +C ALA D 2 127 21.86 '#349f58' +O ALA D 2 127 22.17 '#349f56' +CB ALA D 2 127 19.82 '#349965' +N ASP D 2 128 22.67 '#34a153' +CA ASP D 2 128 23.79 '#34a44c' +C ASP D 2 128 22.60 '#34a153' +O ASP D 2 128 22.51 '#34a054' +CB ASP D 2 128 28.25 '#4eb33c' +CG ASP D 2 128 30.99 '#63bc34' +OD1 ASP D 2 128 31.90 '#6bc031' +OD2 ASP D 2 128 32.61 '#70c22f' +N PHE D 2 129 22.11 '#349f57' +CA PHE D 2 129 22.57 '#34a154' +C PHE D 2 129 20.50 '#349b61' +O PHE D 2 129 19.29 '#349768' +CB PHE D 2 129 25.74 '#3aaa42' +CG PHE D 2 129 31.36 '#66be33' +CD1 PHE D 2 129 32.74 '#71c22f' +CD2 PHE D 2 129 34.23 '#7dc82b' +CE1 PHE D 2 129 34.95 '#83ca29' +CE2 PHE D 2 129 37.75 '#98d421' +CZ PHE D 2 129 37.47 '#96d322' +N GLN D 2 130 18.49 '#34956d' +CA GLN D 2 130 17.76 '#349372' +C GLN D 2 130 16.81 '#349078' +O GLN D 2 130 17.17 '#349175' +CB GLN D 2 130 19.65 '#349866' +CG GLN D 2 130 21.46 '#349d5b' +CD GLN D 2 130 23.80 '#34a44c' +OE1 GLN D 2 130 26.28 '#3fac41' +NE2 GLN D 2 130 16.16 '#348e7c' +N LYS D 2 131 16.18 '#348e7c' +CA LYS D 2 131 17.09 '#349176' +C LYS D 2 131 16.14 '#348e7c' +O LYS D 2 131 15.84 '#348d7e' +CB LYS D 2 131 20.20 '#349a62' +CG LYS D 2 131 23.14 '#34a250' +CD LYS D 2 131 26.76 '#42ae40' +CE LYS D 2 131 29.88 '#5bb837' +NZ LYS D 2 131 30.53 '#60bb35' +N VAL D 2 132 16.83 '#349077' +CA VAL D 2 132 17.50 '#349273' +C VAL D 2 132 16.94 '#349177' +O VAL D 2 132 18.19 '#34946f' +CB VAL D 2 132 13.98 '#348889' +CG1 VAL D 2 132 11.30 '#33819a' +CG2 VAL D 2 132 14.12 '#348988' +N VAL D 2 133 14.97 '#348b83' +CA VAL D 2 133 15.56 '#348d7f' +C VAL D 2 133 15.14 '#348b82' +O VAL D 2 133 15.73 '#348d7e' +CB VAL D 2 133 16.56 '#349079' +CG1 VAL D 2 133 17.69 '#349372' +CG2 VAL D 2 133 15.82 '#348d7e' +N ALA D 2 134 14.78 '#348a84' +CA ALA D 2 134 13.88 '#34888a' +C ALA D 2 134 14.95 '#348b83' +O ALA D 2 134 15.92 '#348e7d' +CB ALA D 2 134 10.96 '#33809c' +N GLY D 2 135 15.35 '#348c81' +CA GLY D 2 135 15.39 '#348c80' +C GLY D 2 135 16.07 '#348e7c' +O GLY D 2 135 18.56 '#34956d' +N VAL D 2 136 14.94 '#348b83' +CA VAL D 2 136 14.89 '#348b84' +C VAL D 2 136 16.67 '#349078' +O VAL D 2 136 16.37 '#348f7a' +CB VAL D 2 136 12.34 '#338493' +CG1 VAL D 2 136 10.66 '#337f9e' +CG2 VAL D 2 136 11.76 '#338297' +N ALA D 2 137 16.36 '#348f7a' +CA ALA D 2 137 16.36 '#348f7a' +C ALA D 2 137 17.69 '#349372' +O ALA D 2 137 17.95 '#349370' +CB ALA D 2 137 10.56 '#337e9f' +N ASN D 2 138 19.14 '#349769' +CA ASN D 2 138 22.20 '#34a056' +C ASN D 2 138 22.14 '#349f56' +O ASN D 2 138 21.56 '#349e5a' +CB ASN D 2 138 32.33 '#6ec130' +CG ASN D 2 138 43.68 '#c7e911' +OD1 ASN D 2 138 49.61 '#f5fd01' +ND2 ASN D 2 138 46.49 '#ddf209' +N ALA D 2 139 21.29 '#349d5c' +CA ALA D 2 139 20.90 '#349c5e' +C ALA D 2 139 20.48 '#349b61' +O ALA D 2 139 21.02 '#349c5d' +CB ALA D 2 139 18.20 '#34946f' +N LEU D 2 140 18.35 '#34956e' +CA LEU D 2 140 17.73 '#349372' +C LEU D 2 140 18.00 '#349470' +O LEU D 2 140 17.11 '#349176' +CB LEU D 2 140 16.82 '#349078' +CG LEU D 2 140 18.93 '#34966a' +CD1 LEU D 2 140 20.27 '#349a62' +CD2 LEU D 2 140 17.77 '#349372' +N ALA D 2 141 19.02 '#34976a' +CA ALA D 2 141 23.57 '#34a34d' +C ALA D 2 141 25.42 '#38a943' +O ALA D 2 141 25.77 '#3baa42' +CB ALA D 2 141 24.47 '#34a648' +N HIS D 2 142 26.41 '#40ac41' +CA HIS D 2 142 27.79 '#4ab13d' +C HIS D 2 142 25.87 '#3bab42' +O HIS D 2 142 24.68 '#34a746' +CB HIS D 2 142 34.68 '#80c92a' +CG HIS D 2 142 42.89 '#c1e613' +ND1 HIS D 2 142 45.41 '#d5ef0c' +CD2 HIS D 2 142 45.66 '#d6ef0b' +CE1 HIS D 2 142 48.97 '#f0fb02' +NE2 HIS D 2 142 50.94 '#f8fa00' +N ARG D 2 143 24.30 '#34a649' +CA ARG D 2 143 24.22 '#34a549' +C ARG D 2 143 23.68 '#34a44d' +O ARG D 2 143 24.19 '#34a54a' +CB ARG D 2 143 29.01 '#54b539' +CG ARG D 2 143 35.63 '#88cc27' +CD ARG D 2 143 41.83 '#b8e216' +NE ARG D 2 143 50.86 '#f8fa00' +CZ ARG D 2 143 55.54 '#f6e403' +NH1 ARG D 2 143 56.23 '#f5e104' +NH2 ARG D 2 143 55.91 '#f5e204' +N TYR D 2 144 21.76 '#349e59' +CA TYR D 2 144 22.11 '#349f57' +C TYR D 2 144 23.51 '#34a34e' +O TYR D 2 144 24.06 '#34a54a' +CB TYR D 2 144 17.30 '#349275' +CG TYR D 2 144 16.22 '#348f7b' +CD1 TYR D 2 144 14.26 '#348988' +CD2 TYR D 2 144 15.51 '#348d80' +CE1 TYR D 2 144 14.03 '#348889' +CE2 TYR D 2 144 15.00 '#348b83' +CZ TYR D 2 144 14.81 '#348b84' +OH TYR D 2 144 12.56 '#348492' +N HIS D 2 145 24.52 '#34a647' +CA HIS D 2 145 25.92 '#3cab42' +C HIS D 2 145 25.92 '#3cab42' +O HIS D 2 145 25.75 '#3aaa42' +CB HIS D 2 145 26.60 '#41ad40' +CG HIS D 2 145 30.72 '#61bb35' +ND1 HIS D 2 145 32.76 '#71c32f' +CD2 HIS D 2 145 33.29 '#75c42e' +CE1 HIS D 2 145 33.68 '#79c62d' +NE2 HIS D 2 145 36.49 '#8fcf25' +OXT HIS D 2 145 26.52 '#40ad40' +CHA HEM E 3 . 17.03 '#349176' +CHB HEM E 3 . 15.45 '#348c80' +CHC HEM E 3 . 14.31 '#348987' +CHD HEM E 3 . 15.29 '#348c81' +C1A HEM E 3 . 18.13 '#34946f' +C2A HEM E 3 . 19.59 '#349866' +C3A HEM E 3 . 17.23 '#349175' +C4A HEM E 3 . 17.40 '#349274' +CMA HEM E 3 . 15.65 '#348d7f' +CAA HEM E 3 . 22.93 '#34a251' +CBA HEM E 3 . 28.08 '#4db23c' +CGA HEM E 3 . 30.71 '#61bb35' +O1A HEM E 3 . 33.32 '#76c42e' +O2A HEM E 3 . 31.88 '#6abf32' +C1B HEM E 3 . 13.30 '#34868e' +C2B HEM E 3 . 12.38 '#338493' +C3B HEM E 3 . 12.53 '#348492' +C4B HEM E 3 . 12.99 '#34858f' +CMB HEM E 3 . 10.01 '#337da2' +CAB HEM E 3 . 12.47 '#338493' +CBB HEM E 3 . 13.60 '#34878c' +C1C HEM E 3 . 13.43 '#34878d' +C2C HEM E 3 . 12.29 '#338394' +C3C HEM E 3 . 12.69 '#348591' +C4C HEM E 3 . 14.60 '#348a85' +CMC HEM E 3 . 9.68 '#337ca4' +CAC HEM E 3 . 11.65 '#338298' +CBC HEM E 3 . 11.61 '#338198' +C1D HEM E 3 . 15.76 '#348d7e' +C2D HEM E 3 . 16.71 '#349078' +C3D HEM E 3 . 18.22 '#34946f' +C4D HEM E 3 . 17.43 '#349274' +CMD HEM E 3 . 14.33 '#348987' +CAD HEM E 3 . 19.42 '#349867' +CBD HEM E 3 . 23.21 '#34a250' +CGD HEM E 3 . 25.56 '#39a943' +O1D HEM E 3 . 26.88 '#43ae3f' +O2D HEM E 3 . 26.70 '#42ad40' +NA HEM E 3 . 17.23 '#349175' +NB HEM E 3 . 14.39 '#348987' +NC HEM E 3 . 14.30 '#348987' +ND HEM E 3 . 16.44 '#348f7a' +FE HEM E 3 . 16.04 '#348e7c' +CHA HEM F 3 . 15.95 '#348e7d' +CHB HEM F 3 . 11.91 '#338296' +CHC HEM F 3 . 12.85 '#348590' +CHD HEM F 3 . 15.15 '#348c82' +C1A HEM F 3 . 14.67 '#348a85' +C2A HEM F 3 . 14.72 '#348a85' +C3A HEM F 3 . 14.24 '#348988' +C4A HEM F 3 . 13.57 '#34878c' +CMA HEM F 3 . 14.01 '#348889' +CAA HEM F 3 . 14.94 '#348b83' +CBA HEM F 3 . 17.40 '#349274' +CGA HEM F 3 . 18.31 '#34956e' +O1A HEM F 3 . 19.58 '#349866' +O2A HEM F 3 . 18.07 '#349470' +C1B HEM F 3 . 11.18 '#33809b' +C2B HEM F 3 . 11.25 '#33809a' +C3B HEM F 3 . 12.16 '#338395' +C4B HEM F 3 . 12.23 '#338394' +CMB HEM F 3 . 8.26 '#3378ad' +CAB HEM F 3 . 14.42 '#348987' +CBB HEM F 3 . 18.47 '#34956d' +C1C HEM F 3 . 13.88 '#34888a' +C2C HEM F 3 . 14.05 '#348889' +C3C HEM F 3 . 14.01 '#348889' +C4C HEM F 3 . 14.29 '#348987' +CMC HEM F 3 . 14.01 '#348889' +CAC HEM F 3 . 11.73 '#338297' +CBC HEM F 3 . 12.08 '#338395' +C1D HEM F 3 . 16.33 '#348f7b' +C2D HEM F 3 . 16.32 '#348f7b' +C3D HEM F 3 . 17.53 '#349273' +C4D HEM F 3 . 16.35 '#348f7a' +CMD HEM F 3 . 14.75 '#348a84' +CAD HEM F 3 . 20.24 '#349a62' +CBD HEM F 3 . 23.15 '#34a250' +CGD HEM F 3 . 25.72 '#3aaa43' +O1D HEM F 3 . 27.90 '#4bb23c' +O2D HEM F 3 . 26.74 '#42ae40' +NA HEM F 3 . 14.50 '#348a86' +NB HEM F 3 . 13.24 '#34868e' +NC HEM F 3 . 14.83 '#348b84' +ND HEM F 3 . 15.97 '#348e7d' +FE HEM F 3 . 14.32 '#348987' +CHA HEM G 3 . 12.44 '#338493' +CHB HEM G 3 . 15.53 '#348d80' +CHC HEM G 3 . 11.77 '#338297' +CHD HEM G 3 . 12.82 '#348591' +C1A HEM G 3 . 16.29 '#348f7b' +C2A HEM G 3 . 19.02 '#34976a' +C3A HEM G 3 . 18.28 '#34946e' +C4A HEM G 3 . 16.95 '#349177' +CMA HEM G 3 . 17.99 '#349470' +CAA HEM G 3 . 22.53 '#34a054' +CBA HEM G 3 . 29.44 '#57b738' +CGA HEM G 3 . 34.24 '#7dc82b' +O1A HEM G 3 . 34.30 '#7dc82b' +O2A HEM G 3 . 36.59 '#8fd025' +C1B HEM G 3 . 14.21 '#348988' +C2B HEM G 3 . 12.44 '#338493' +C3B HEM G 3 . 12.89 '#348590' +C4B HEM G 3 . 13.45 '#34878d' +CMB HEM G 3 . 9.24 '#337ba7' +CAB HEM G 3 . 11.61 '#338198' +CBB HEM G 3 . 11.38 '#338199' +C1C HEM G 3 . 10.31 '#337ea0' +C2C HEM G 3 . 9.80 '#337ca3' +C3C HEM G 3 . 10.28 '#337ea0' +C4C HEM G 3 . 11.36 '#33819a' +CMC HEM G 3 . 8.14 '#3378ae' +CAC HEM G 3 . 10.16 '#337da1' +CBC HEM G 3 . 9.49 '#337ba5' +C1D HEM G 3 . 13.34 '#34868d' +C2D HEM G 3 . 12.65 '#348492' +C3D HEM G 3 . 13.68 '#34878b' +C4D HEM G 3 . 12.81 '#348591' +CMD HEM G 3 . 11.79 '#338297' +CAD HEM G 3 . 16.17 '#348e7c' +CBD HEM G 3 . 19.38 '#349868' +CGD HEM G 3 . 20.91 '#349c5e' +O1D HEM G 3 . 22.35 '#34a055' +O2D HEM G 3 . 22.38 '#34a055' +NA HEM G 3 . 16.51 '#348f79' +NB HEM G 3 . 14.22 '#348988' +NC HEM G 3 . 11.44 '#338199' +ND HEM G 3 . 13.09 '#34868f' +FE HEM G 3 . 15.41 '#348c80' +CHA HEM H 3 . 19.83 '#349965' +CHB HEM H 3 . 17.10 '#349176' +CHC HEM H 3 . 12.42 '#338493' +CHD HEM H 3 . 15.95 '#348e7d' +C1A HEM H 3 . 21.49 '#349e5a' +C2A HEM H 3 . 23.26 '#34a34f' +C3A HEM H 3 . 21.47 '#349d5b' +C4A HEM H 3 . 19.91 '#349964' +CMA HEM H 3 . 19.76 '#349965' +CAA HEM H 3 . 26.69 '#42ad40' +CBA HEM H 3 . 32.96 '#73c32f' +CGA HEM H 3 . 37.69 '#98d421' +O1A HEM H 3 . 39.66 '#a7db1c' +O2A HEM H 3 . 39.49 '#a6da1d' +C1B HEM H 3 . 15.70 '#348d7f' +C2B HEM H 3 . 14.73 '#348a85' +C3B HEM H 3 . 14.76 '#348a84' +C4B HEM H 3 . 14.27 '#348987' +CMB HEM H 3 . 15.07 '#348b82' +CAB HEM H 3 . 15.93 '#348e7d' +CBB HEM H 3 . 19.81 '#349965' +C1C HEM H 3 . 12.13 '#338395' +C2C HEM H 3 . 12.03 '#338395' +C3C HEM H 3 . 12.25 '#338394' +C4C HEM H 3 . 13.08 '#34868f' +CMC HEM H 3 . 10.21 '#337da1' +CAC HEM H 3 . 11.92 '#338296' +CBC HEM H 3 . 13.01 '#34858f' +C1D HEM H 3 . 18.85 '#34966b' +C2D HEM H 3 . 19.88 '#349964' +C3D HEM H 3 . 19.90 '#349964' +C4D HEM H 3 . 19.24 '#349768' +CMD HEM H 3 . 19.16 '#349769' +CAD HEM H 3 . 22.04 '#349f57' +CBD HEM H 3 . 26.43 '#40ac41' +CGD HEM H 3 . 30.24 '#5eba36' +O1D HEM H 3 . 31.68 '#69bf32' +O2D HEM H 3 . 32.59 '#70c230' +NA HEM H 3 . 20.08 '#349a63' +NB HEM H 3 . 16.15 '#348e7c' +NC HEM H 3 . 14.43 '#348986' +ND HEM H 3 . 18.58 '#34956d' +FE HEM H 3 . 17.43 '#349274' +O HOH I 4 . 19.32 '#349768' +O HOH I 4 . 20.83 '#349c5f' +O HOH I 4 . 24.89 '#34a745' +O HOH I 4 . 26.82 '#43ae3f' +O HOH I 4 . 20.93 '#349c5e' +O HOH I 4 . 21.54 '#349e5a' +O HOH I 4 . 23.38 '#34a34f' +O HOH I 4 . 22.62 '#34a153' +O HOH I 4 . 20.57 '#349b60' +O HOH I 4 . 21.28 '#349d5c' +O HOH I 4 . 29.78 '#5ab837' +O HOH I 4 . 30.52 '#60bb35' +O HOH I 4 . 27.18 '#46af3e' +O HOH I 4 . 19.31 '#349768' +O HOH I 4 . 27.57 '#49b03d' +O HOH I 4 . 22.44 '#34a054' +O HOH I 4 . 23.96 '#34a54b' +O HOH I 4 . 30.10 '#5cb936' +O HOH I 4 . 25.44 '#38a943' +O HOH J 4 . 15.58 '#348d7f' +O HOH J 4 . 20.33 '#349a62' +O HOH J 4 . 23.73 '#34a44c' +O HOH J 4 . 23.37 '#34a34f' +O HOH J 4 . 23.04 '#34a251' +O HOH J 4 . 24.95 '#34a745' +O HOH J 4 . 26.32 '#3fac41' +O HOH J 4 . 29.31 '#56b639' +O HOH K 4 . 18.59 '#34956c' +O HOH K 4 . 22.30 '#34a055' +O HOH K 4 . 22.47 '#34a054' +O HOH K 4 . 32.49 '#6fc230' +O HOH K 4 . 27.89 '#4bb23d' +O HOH K 4 . 22.03 '#349f57' +O HOH K 4 . 29.59 '#58b738' +O HOH K 4 . 25.43 '#38a943' +O HOH K 4 . 26.04 '#3dab42' +O HOH K 4 . 25.42 '#38a943' +O HOH L 4 . 16.17 '#348e7c' +O HOH L 4 . 19.51 '#349867' +O HOH L 4 . 26.27 '#3eac41' +O HOH L 4 . 26.64 '#41ad40' +O HOH L 4 . 27.71 '#4ab13d' diff --git a/tests/mol-spec-data/1hda/portfolio.cif b/tests/mol-spec-data/1hda/portfolio.cif new file mode 100644 index 0000000..f891246 --- /dev/null +++ b/tests/mol-spec-data/1hda/portfolio.cif @@ -0,0 +1,73 @@ +loop_ +_color_by_chain.label_asym_id +_color_by_chain.color +A '#1A9E76' +B '#D85F02' +C '#72B2C8' +D '#BFB73C' +E '#A6D853' +F '#26A113' +G '#50CA82' +H '#F2B9BE' + +loop_ +_color_by_entity.label_entity_id +_color_by_entity.color +1 '#1A9E76' +2 '#D85F02' +3 '#A6D853' + +loop_ +_color_by_symbol.type_symbol +_color_by_symbol.color +N '#3050F8' +O '#FF0D0D' +S '#FFFF30' +FE '#E06633' + +loop_ +_sifts_Pfam_PF00042_A.component +_sifts_Pfam_PF00042_A.label_asym_id +_sifts_Pfam_PF00042_A.beg_label_seq_id +_sifts_Pfam_PF00042_A.end_label_seq_id +_sifts_Pfam_PF00042_A.tooltip +_sifts_Pfam_PF00042_A.color +polymer A . . . . +ligand E . . . . +domain A 26 136 'Pfam PF00042' '#377EB8' + +loop_ +_ligand_HEM.component +_ligand_HEM.label_asym_id +_ligand_HEM.beg_label_seq_id +_ligand_HEM.end_label_seq_id +_ligand_HEM.auth_seq_id +_ligand_HEM.label_atom_id +_ligand_HEM.tooltip +_ligand_HEM.color +wideenv A 30 34 . . 'Wider environment' . +wideenv A 37 48 . . 'Wider environment' . +wideenv A 56 68 . . 'Wider environment' . +wideenv A 81 103 . . 'Wider environment' . +wideenv A 130 138 . . 'Wider environment' . +env A 32 32 . . 'Environment' . +env A 39 39 . . 'Environment' . +env A 42 43 . . 'Environment' . +env A 58 58 . . 'Environment' . +env A 61 62 . . 'Environment' . +env A 65 66 . . 'Environment' . +env A 83 83 . . 'Environment' . +env A 86 87 . . 'Environment' . +env A 91 91 . . 'Environment' . +env A 93 93 . . 'Environment' . +env A 97 98 . . 'Environment' . +env A 101 101 . . 'Environment' . +env A 132 133 . . 'Environment' . +env A 136 136 . . 'Environment' . +env I . . 762 . 'Environment' . +env I . . 764 . 'Environment' . +env I . . 765 . 'Environment' . +ligand E . . . . 'Ligand HEM' . +linkage E . . . FE . . +linkage A 87 87 . NE2 . . + diff --git a/tests/mol-spec-data/1hda/validation.json b/tests/mol-spec-data/1hda/validation.json new file mode 100644 index 0000000..8b7fb04 --- /dev/null +++ b/tests/mol-spec-data/1hda/validation.json @@ -0,0 +1,692 @@ +[ + { + "label_seq_id": 6, + "label_asym_id": "A", + "color": "#ff8800", + "tooltip": "bond_angles, clashes" + }, + { + "label_seq_id": 16, + "label_asym_id": "A", + "color": "#ffff00", + "tooltip": "sidechain_outliers" + }, + { + "label_seq_id": 31, + "label_asym_id": "A", + "color": "#ffff00", + "tooltip": "bond_angles" + }, + { + "label_seq_id": 35, + "label_asym_id": "A", + "color": "#ffff00", + "tooltip": "clashes" + }, + { + "label_seq_id": 45, + "label_asym_id": "A", + "color": "#ffff00", + "tooltip": "bond_angles" + }, + { + "label_seq_id": 52, + "label_asym_id": "A", + "color": "#ffff00", + "tooltip": "sidechain_outliers" + }, + { + "label_seq_id": 70, + "label_asym_id": "A", + "color": "#ffff00", + "tooltip": "clashes" + }, + { + "label_seq_id": 73, 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44.95 '#d1ed0d' +C LEU A 1 15 44.34 '#cceb0f' +O LEU A 1 15 45.10 '#d2ed0d' +CB LEU A 1 15 46.46 '#ddf209' +CG LEU A 1 15 47.49 '#e5f606' +CD1 LEU A 1 15 49.38 '#f4fc01' +CD2 LEU A 1 15 48.70 '#eefa03' +N GLY A 1 16 42.79 '#c0e513' +CA GLY A 1 16 41.01 '#b2df18' +C GLY A 1 16 40.33 '#addd1a' +O GLY A 1 16 37.63 '#98d322' +N ILE A 1 17 39.87 '#a9db1b' +CA ILE A 1 17 38.15 '#9cd520' +C ILE A 1 17 37.27 '#95d223' +O ILE A 1 17 40.01 '#aadc1b' +CB ILE A 1 17 39.48 '#a6da1d' +CG1 ILE A 1 17 38.60 '#9fd71f' +CG2 ILE A 1 17 38.43 '#9ed61f' +CD1 ILE A 1 17 42.21 '#bbe315' +N PRO A 1 18 35.80 '#89cd27' +CA PRO A 1 18 34.99 '#83ca29' +C PRO A 1 18 33.85 '#7ac62c' +O PRO A 1 18 33.23 '#75c42e' +CB PRO A 1 18 32.98 '#73c32e' +CG PRO A 1 18 33.36 '#76c52d' +CD PRO A 1 18 34.92 '#82ca29' +N GLY A 1 19 35.25 '#85cb28' +CA GLY A 1 19 36.08 '#8bce26' +C GLY A 1 19 34.84 '#82ca29' +O GLY A 1 19 36.09 '#8bce26' +N PRO A 1 20 33.41 '#76c52d' +CA PRO A 1 20 32.14 '#6cc031' +C PRO A 1 20 32.15 '#6dc031' +O PRO A 1 20 31.97 '#6bc031' +CB PRO A 1 20 33.87 '#7ac62c' +CG PRO A 1 20 30.54 '#60bb35' +CD PRO A 1 20 33.66 '#78c62d' +N THR A 1 21 33.99 '#7bc72c' +CA THR A 1 21 35.72 '#89cd27' +C THR A 1 21 32.26 '#6dc130' +O THR A 1 21 31.68 '#69bf32' +CB THR A 1 21 37.37 '#95d322' +OG1 THR A 1 21 44.56 '#ceec0f' +CG2 THR A 1 21 38.26 '#9cd620' +N PRO A 1 22 32.18 '#6dc031' +CA PRO A 1 22 33.03 '#73c32e' +C PRO A 1 22 33.84 '#7ac62c' +O PRO A 1 22 31.55 '#68be32' +CB PRO A 1 22 33.40 '#76c52d' +CG PRO A 1 22 35.56 '#87cc27' +CD PRO A 1 22 31.83 '#6abf32' +N LEU A 1 23 34.63 '#80c92a' +CA LEU A 1 23 33.11 '#74c42e' +C LEU A 1 23 33.03 '#73c32e' +O LEU A 1 23 33.09 '#74c42e' +CB LEU A 1 23 34.64 '#80c92a' +CG LEU A 1 23 38.11 '#9bd520' +CD1 LEU A 1 23 35.25 '#85cb28' +CD2 LEU A 1 23 38.17 '#9cd520' +N PRO A 1 24 33.19 '#75c42e' +CA PRO A 1 24 32.59 '#70c230' +C PRO A 1 24 30.59 '#60bb35' +O PRO A 1 24 31.99 '#6bc031' +CB PRO A 1 24 33.56 '#78c52d' +CG PRO A 1 24 34.56 '#7fc92a' +CD PRO A 1 24 32.31 '#6ec130' +N PHE A 1 25 27.81 '#4bb13d' +CA PHE A 1 25 28.07 '#4db23c' +C PHE A 1 25 28.74 '#52b53a' +O PHE A 1 25 28.50 '#50b43b' +CB PHE A 1 25 29.15 '#55b639' +CG PHE A 1 25 31.74 '#69bf32' +CD1 PHE A 1 25 32.60 '#70c230' +CD2 PHE A 1 25 30.14 '#5db936' +CE1 PHE A 1 25 33.60 '#78c52d' +CE2 PHE A 1 25 31.51 '#68be33' +CZ PHE A 1 25 30.04 '#5cb937' +N LEU A 1 26 27.80 '#4ab13d' +CA LEU A 1 26 29.60 '#59b838' +C LEU A 1 26 28.76 '#52b53a' +O LEU A 1 26 26.84 '#43ae3f' +CB LEU A 1 26 30.56 '#60bb35' +CG LEU A 1 26 33.34 '#76c52d' +CD1 LEU A 1 26 33.30 '#76c42e' +CD2 LEU A 1 26 33.74 '#79c62c' +N GLY A 1 27 30.03 '#5cb937' +CA GLY A 1 27 29.04 '#54b639' +C GLY A 1 27 26.59 '#41ad40' +O GLY A 1 27 25.77 '#3baa42' +N ASN A 1 28 27.92 '#4bb23c' +CA ASN A 1 28 25.90 '#3cab42' +C ASN A 1 28 24.39 '#34a648' +O ASN A 1 28 26.28 '#3fac41' +CB ASN A 1 28 25.87 '#3bab42' +CG ASN A 1 28 23.18 '#34a250' +OD1 ASN A 1 28 23.59 '#34a34d' +ND2 ASN A 1 28 26.18 '#3eac41' +N ILE A 1 29 25.52 '#39a943' +CA ILE A 1 29 25.13 '#36a844' +C ILE A 1 29 25.67 '#3aaa43' +O ILE A 1 29 26.71 '#42ad40' +CB ILE A 1 29 27.05 '#45af3f' +CG1 ILE A 1 29 25.26 '#37a844' +CG2 ILE A 1 29 26.71 '#42ad40' +CD1 ILE A 1 29 34.34 '#7ec82b' +N LEU A 1 30 27.16 '#45af3f' +CA LEU A 1 30 29.65 '#59b838' +C LEU A 1 30 30.55 '#60bb35' +O LEU A 1 30 29.48 '#58b738' +CB LEU A 1 30 29.76 '#5ab837' +CG LEU A 1 30 32.98 '#73c32e' +CD1 LEU A 1 30 32.03 '#6cc031' +CD2 LEU A 1 30 30.23 '#5eba36' +N SER A 1 31 31.07 '#64bd34' +CA SER A 1 31 33.33 '#76c42e' +C SER A 1 31 33.63 '#78c62d' +O SER A 1 31 36.50 '#8fd025' +CB SER A 1 31 33.28 '#75c42e' +OG SER A 1 31 34.66 '#80c92a' +N TYR A 1 32 31.98 '#6bc031' +CA TYR A 1 32 31.65 '#69bf32' +C TYR A 1 32 31.54 '#68be32' +O TYR A 1 32 33.85 '#7ac62c' +CB TYR A 1 32 30.45 '#5fba35' +CG TYR A 1 32 31.31 '#66bd33' +CD1 TYR A 1 32 30.22 '#5dba36' +CD2 TYR A 1 32 34.51 '#7fc92a' +CE1 TYR A 1 32 31.73 '#69bf32' +CE2 TYR A 1 32 33.06 '#74c42e' +CZ TYR A 1 32 31.59 '#68be32' +OH TYR A 1 32 31.18 '#65bd33' +N HIS A 1 33 33.87 '#7ac62c' +CA HIS A 1 33 36.27 '#8dcf25' +C HIS A 1 33 37.60 '#97d322' +O HIS A 1 33 36.86 '#91d124' +CB HIS A 1 33 39.09 '#a3d91e' +CG HIS A 1 33 43.78 '#c8e911' +ND1 HIS A 1 33 45.88 '#d8f00b' +CD2 HIS A 1 33 44.56 '#ceec0f' +CE1 HIS A 1 33 47.40 '#e4f507' +NE2 HIS A 1 33 47.69 '#e6f606' +N LYS A 1 34 38.42 '#9ed61f' +CA LYS A 1 34 38.74 '#a0d71f' +C LYS A 1 34 36.92 '#92d124' +O LYS A 1 34 38.12 '#9bd520' +CB LYS A 1 34 41.72 '#b8e216' +CG LYS A 1 34 43.41 '#c5e812' +CD LYS A 1 34 47.36 '#e4f507' +CE LYS A 1 34 49.24 '#f3fc02' +NZ LYS A 1 34 51.28 '#f8f800' +N GLY A 1 35 35.09 '#84cb29' +CA GLY A 1 35 30.57 '#60bb35' +C GLY A 1 35 28.89 '#53b53a' +O GLY A 1 35 30.52 '#60bb35' +N PHE A 1 36 27.26 '#46af3e' +CA PHE A 1 36 28.67 '#51b43a' +C PHE A 1 36 30.46 '#5fbb35' +O PHE A 1 36 30.72 '#61bb35' +CB PHE A 1 36 28.37 '#4fb33b' +CG PHE A 1 36 31.29 '#66bd33' +CD1 PHE A 1 36 30.32 '#5eba36' +CD2 PHE A 1 36 30.43 '#5fba36' +CE1 PHE A 1 36 32.90 '#72c32f' +CE2 PHE A 1 36 33.17 '#75c42e' +CZ PHE A 1 36 33.12 '#74c42e' +N CYS A 1 37 30.02 '#5cb937' +CA CYS A 1 37 34.69 '#80c92a' +C CYS A 1 37 34.23 '#7dc82b' +O CYS A 1 37 34.83 '#82ca29' +CB CYS A 1 37 36.27 '#8dcf25' +SG CYS A 1 37 44.19 '#cbea10' +N MET A 1 38 34.37 '#7ec82b' +CA MET A 1 38 34.07 '#7cc72b' +C MET A 1 38 33.71 '#79c62c' +O MET A 1 38 31.44 '#67be33' +CB MET A 1 38 38.41 '#9ed61f' +CG MET A 1 38 46.19 '#dbf10a' +SD MET A 1 38 56.09 '#f5e104' +CE MET A 1 38 52.56 '#f7f201' +N PHE A 1 39 31.37 '#66be33' +CA PHE A 1 39 30.30 '#5eba36' +C PHE A 1 39 28.57 '#50b43b' +O PHE A 1 39 26.15 '#3eac41' +CB PHE A 1 39 28.80 '#52b53a' +CG PHE A 1 39 31.12 '#64bd34' +CD1 PHE A 1 39 30.56 '#60bb35' +CD2 PHE A 1 39 27.53 '#48b03e' +CE1 PHE A 1 39 30.09 '#5cb936' +CE2 PHE A 1 39 29.25 '#56b639' +CZ PHE A 1 39 27.78 '#4ab13d' +N ASP A 1 40 28.10 '#4db23c' +CA ASP A 1 40 31.49 '#67be33' +C ASP A 1 40 31.25 '#66bd33' +O ASP A 1 40 31.01 '#64bc34' +CB ASP A 1 40 30.60 '#60bb35' +CG ASP A 1 40 32.34 '#6ec130' +OD1 ASP A 1 40 31.46 '#67be33' +OD2 ASP A 1 40 30.40 '#5fba36' +N MET A 1 41 32.31 '#6ec130' +CA MET A 1 41 36.39 '#8ecf25' +C MET A 1 41 34.87 '#82ca29' +O MET A 1 41 35.11 '#84cb29' +CB MET A 1 41 35.91 '#8acd26' +CG MET A 1 41 41.37 '#b5e017' +SD MET A 1 41 47.13 '#e2f507' +CE MET A 1 41 41.29 '#b4e018' +N GLU A 1 42 34.26 '#7dc82b' +CA GLU A 1 42 37.14 '#94d223' +C GLU A 1 42 36.94 '#92d124' +O GLU A 1 42 37.52 '#97d322' +CB GLU A 1 42 39.85 '#a9db1c' +CG GLU A 1 42 46.81 '#dff308' +CD GLU A 1 42 52.64 '#f7f201' +OE1 GLU A 1 42 54.73 '#f6e803' +OE2 GLU A 1 42 54.10 '#f6eb02' +N CYS A 1 43 35.21 '#85cb28' +CA CYS A 1 43 34.31 '#7dc82b' +C CYS A 1 43 34.62 '#80c92a' +O CYS A 1 43 34.13 '#7cc72b' +CB CYS A 1 43 33.03 '#73c32e' +SG CYS A 1 43 32.39 '#6ec130' +N HIS A 1 44 34.96 '#83ca29' +CA HIS A 1 44 36.10 '#8cce26' +C HIS A 1 44 37.08 '#93d223' +O HIS A 1 44 38.36 '#9dd620' +CB HIS A 1 44 34.83 '#82ca29' +CG HIS A 1 44 37.49 '#96d322' +ND1 HIS A 1 44 37.19 '#94d223' +CD2 HIS A 1 44 37.65 '#98d422' +CE1 HIS A 1 44 38.80 '#a1d81e' +NE2 HIS A 1 44 39.32 '#a5d91d' +N LYS A 1 45 39.08 '#a3d81e' +CA LYS A 1 45 42.83 '#c0e613' +C LYS A 1 45 45.16 '#d3ee0d' +O LYS A 1 45 45.73 '#d7f00b' +CB LYS A 1 45 45.22 '#d3ee0d' +CG LYS A 1 45 48.62 '#eefa03' +CD LYS A 1 45 50.70 '#f8fb00' +CE LYS A 1 45 50.56 '#f8fc00' +NZ LYS A 1 45 50.55 '#f8fc00' +N LYS A 1 46 45.89 '#d8f00b' +CA LYS A 1 46 44.62 '#ceec0e' +C LYS A 1 46 43.74 '#c7e911' +O LYS A 1 46 43.74 '#c7e911' +CB LYS A 1 46 46.38 '#dcf209' +CG LYS A 1 46 48.84 '#effa03' +CD LYS A 1 46 50.46 '#f8fc00' +CE LYS A 1 46 52.54 '#f7f201' +NZ LYS A 1 46 53.25 '#f7ef02' +N TYR A 1 47 40.58 '#afde19' +CA TYR A 1 47 39.35 '#a5d91d' +C TYR A 1 47 38.82 '#a1d81e' +O TYR A 1 47 38.25 '#9cd620' +CB TYR A 1 47 36.70 '#90d024' +CG TYR A 1 47 39.05 '#a3d81e' +CD1 TYR A 1 47 36.69 '#90d024' +CD2 TYR A 1 47 38.61 '#9fd71f' +CE1 TYR A 1 47 35.91 '#8acd26' +CE2 TYR A 1 47 38.48 '#9ed61f' +CZ TYR A 1 47 36.75 '#91d024' +OH TYR A 1 47 38.53 '#9fd71f' +N GLY A 1 48 39.40 '#a5da1d' +CA GLY A 1 48 38.14 '#9cd520' +C GLY A 1 48 38.69 '#a0d71f' +O GLY A 1 48 40.38 '#addd1a' +N LYS A 1 49 38.81 '#a1d81e' +CA LYS A 1 49 39.53 '#a6da1c' +C LYS A 1 49 38.25 '#9cd620' +O LYS A 1 49 37.97 '#9ad521' +CB LYS A 1 49 39.81 '#a9db1c' +CG LYS A 1 49 44.09 '#caea10' +CD LYS A 1 49 46.45 '#ddf209' +CE LYS A 1 49 47.41 '#e4f507' +NZ LYS A 1 49 49.91 '#f8fe00' +N VAL A 1 50 37.51 '#97d322' +CA VAL A 1 50 35.75 '#89cd27' +C VAL A 1 50 34.56 '#7fc92a' +O VAL A 1 50 32.40 '#6fc130' +CB VAL A 1 50 38.42 '#9ed61f' +CG1 VAL A 1 50 39.31 '#a5d91d' +CG2 VAL A 1 50 40.04 '#aadc1b' +N TRP A 1 51 31.35 '#66be33' +CA TRP A 1 51 30.42 '#5fba36' +C TRP A 1 51 29.80 '#5ab837' +O TRP A 1 51 30.81 '#62bc34' +CB TRP A 1 51 28.52 '#50b43b' +CG TRP A 1 51 32.75 '#71c22f' +CD1 TRP A 1 51 32.96 '#73c32f' +CD2 TRP A 1 51 33.97 '#7bc72c' +NE1 TRP A 1 51 34.46 '#7fc82a' +CE2 TRP A 1 51 35.73 '#89cd27' +CE3 TRP A 1 51 34.09 '#7cc72b' +CZ2 TRP A 1 51 34.21 '#7dc82b' +CZ3 TRP A 1 51 32.41 '#6fc130' +CH2 TRP A 1 51 35.55 '#87cc27' +N GLY A 1 52 31.03 '#64bc34' +CA GLY A 1 52 31.13 '#65bd34' +C GLY A 1 52 31.04 '#64bd34' +O GLY A 1 52 32.42 '#6fc130' +N PHE A 1 53 30.77 '#62bc35' +CA PHE A 1 53 27.71 '#4ab13d' +C PHE A 1 53 26.21 '#3eac41' +O PHE A 1 53 24.04 '#34a54a' +CB PHE A 1 53 26.27 '#3eac41' +CG PHE A 1 53 28.72 '#52b43a' +CD1 PHE A 1 53 27.27 '#46af3e' +CD2 PHE A 1 53 28.82 '#52b53a' +CE1 PHE A 1 53 28.33 '#4fb33b' +CE2 PHE A 1 53 29.07 '#54b639' +CZ PHE A 1 53 31.58 '#68be32' +N TYR A 1 54 26.44 '#40ad41' +CA TYR A 1 54 26.80 '#43ae40' +C TYR A 1 54 23.74 '#34a44c' +O TYR A 1 54 24.75 '#34a746' +CB TYR A 1 54 27.03 '#44af3f' +CG TYR A 1 54 30.39 '#5fba36' +CD1 TYR A 1 54 29.99 '#5cb937' +CD2 TYR A 1 54 33.18 '#75c42e' +CE1 TYR A 1 54 31.33 '#66be33' +CE2 TYR A 1 54 33.65 '#78c62d' +CZ TYR A 1 54 32.41 '#6fc130' +OH TYR A 1 54 30.18 '#5dba36' +N ASP A 1 55 22.63 '#34a153' +CA ASP A 1 55 25.65 '#3aaa43' +C ASP A 1 55 24.97 '#34a745' +O ASP A 1 55 27.97 '#4cb23c' +CB ASP A 1 55 26.19 '#3eac41' +CG ASP A 1 55 28.70 '#52b43a' +OD1 ASP A 1 55 25.67 '#3aaa43' +OD2 ASP A 1 55 29.69 '#59b838' +N GLY A 1 56 26.36 '#3fac41' +CA GLY A 1 56 29.05 '#54b639' +C GLY A 1 56 28.19 '#4eb33c' +O GLY A 1 56 25.93 '#3cab42' +N GLN A 1 57 29.67 '#59b838' +CA GLN A 1 57 32.22 '#6dc131' +C GLN A 1 57 30.82 '#62bc34' +O GLN A 1 57 32.35 '#6ec130' +CB GLN A 1 57 33.60 '#78c52d' +CG GLN A 1 57 40.36 '#addd1a' +CD GLN A 1 57 41.69 '#b7e216' +OE1 GLN A 1 57 46.49 '#ddf209' +NE2 GLN A 1 57 43.94 '#c9e910' +N GLN A 1 58 29.54 '#58b738' +CA GLN A 1 58 29.35 '#57b738' +C GLN A 1 58 26.89 '#43ae3f' +O GLN A 1 58 27.71 '#4ab13d' +CB GLN A 1 58 27.97 '#4cb23c' +CG GLN A 1 58 30.41 '#5fba36' +CD GLN A 1 58 31.88 '#6abf32' +OE1 GLN A 1 58 36.05 '#8bce26' +NE2 GLN A 1 58 29.77 '#5ab837' +N PRO A 1 59 28.10 '#4db23c' +CA PRO A 1 59 28.48 '#50b43b' +C PRO A 1 59 25.70 '#3aaa43' +O PRO A 1 59 26.57 '#41ad40' +CB PRO A 1 59 28.70 '#52b43a' +CG PRO A 1 59 31.91 '#6bc031' +CD PRO A 1 59 29.66 '#59b838' +N VAL A 1 60 26.86 '#43ae3f' +CA VAL A 1 60 26.96 '#44ae3f' +C VAL A 1 60 26.80 '#43ae40' +O VAL A 1 60 27.68 '#4ab13d' +CB VAL A 1 60 24.26 '#34a549' +CG1 VAL A 1 60 24.25 '#34a549' +CG2 VAL A 1 60 26.28 '#3fac41' +N LEU A 1 61 26.77 '#42ae40' +CA LEU A 1 61 28.84 '#53b53a' +C LEU A 1 61 25.37 '#37a943' +O LEU A 1 61 27.26 '#46af3e' +CB LEU A 1 61 30.36 '#5fba36' +CG LEU A 1 61 30.64 '#61bb35' +CD1 LEU A 1 61 30.69 '#61bb35' +CD2 LEU A 1 61 34.10 '#7cc72b' +N ALA A 1 62 25.68 '#3aaa43' +CA ALA A 1 62 28.60 '#51b43b' +C ALA A 1 62 29.66 '#59b838' +O ALA A 1 62 29.98 '#5cb937' +CB ALA A 1 62 29.64 '#59b838' +N ILE A 1 63 32.07 '#6cc031' +CA ILE A 1 63 34.08 '#7cc72b' +C ILE A 1 63 36.20 '#8cce26' +O ILE A 1 63 36.79 '#91d124' +CB ILE A 1 63 33.07 '#74c42e' +CG1 ILE A 1 63 32.67 '#71c22f' +CG2 ILE A 1 63 34.03 '#7bc72c' +CD1 ILE A 1 63 31.95 '#6bc031' +N THR A 1 64 36.73 '#90d024' +CA THR A 1 64 38.34 '#9dd620' +C THR A 1 64 41.03 '#b2df18' +O THR A 1 64 40.94 '#b1df19' +CB THR A 1 64 37.01 '#93d123' +OG1 THR A 1 64 38.47 '#9ed61f' +CG2 THR A 1 64 39.55 '#a7da1c' +N ASP A 1 65 42.80 '#c0e513' +CA ASP A 1 65 45.30 '#d4ee0c' +C ASP A 1 65 44.79 '#d0ec0e' +O ASP A 1 65 46.48 '#ddf209' +CB ASP A 1 65 47.67 '#e6f606' +CG ASP A 1 65 49.63 '#f6fd01' +OD1 ASP A 1 65 52.29 '#f7f401' +OD2 ASP A 1 65 53.33 '#f7ef02' +N PRO A 1 66 43.08 '#c2e613' +CA PRO A 1 66 42.52 '#bee414' +C PRO A 1 66 41.82 '#b8e216' +O PRO A 1 66 41.00 '#b2df18' +CB PRO A 1 66 42.06 '#bae315' +CG PRO A 1 66 43.33 '#c4e712' +CD PRO A 1 66 42.87 '#c1e613' +N ASP A 1 67 42.53 '#bee514' +CA ASP A 1 67 43.05 '#c2e613' +C ASP A 1 67 41.74 '#b8e216' +O ASP A 1 67 40.89 '#b1df19' +CB ASP A 1 67 45.15 '#d2ee0d' +CG ASP A 1 67 48.73 '#effa03' +OD1 ASP A 1 67 50.09 '#f8fe00' +OD2 ASP A 1 67 48.98 '#f1fb02' +N MET A 1 68 42.46 '#bde414' +CA MET A 1 68 43.33 '#c4e712' +C MET A 1 68 42.62 '#bfe514' +O MET A 1 68 42.83 '#c0e613' +CB MET A 1 68 43.73 '#c7e911' +CG MET A 1 68 45.74 '#d7f00b' +SD MET A 1 68 47.07 '#e2f408' +CE MET A 1 68 47.54 '#e5f606' +N ILE A 1 69 42.83 '#c0e613' +CA ILE A 1 69 40.60 '#afde19' +C ILE A 1 69 41.30 '#b4e018' +O ILE A 1 69 40.08 '#abdc1b' +CB ILE A 1 69 38.61 '#9fd71f' +CG1 ILE A 1 69 38.64 '#9fd71f' +CG2 ILE A 1 69 37.11 '#93d223' +CD1 ILE A 1 69 37.65 '#98d422' +N LYS A 1 70 41.24 '#b4e018' +CA LYS A 1 70 41.52 '#b6e117' +C LYS A 1 70 39.63 '#a7da1c' +O LYS A 1 70 41.59 '#b7e117' +CB LYS A 1 70 42.89 '#c1e613' +CG LYS A 1 70 43.15 '#c3e712' +CD LYS A 1 70 47.95 '#e8f705' +CE LYS A 1 70 49.29 '#f3fc01' +NZ LYS A 1 70 49.23 '#f2fc02' +N THR A 1 71 40.40 '#addd1a' +CA THR A 1 71 40.80 '#b0de19' +C THR A 1 71 40.33 '#addd1a' +O THR A 1 71 36.84 '#91d124' +CB THR A 1 71 43.01 '#c2e613' +OG1 THR A 1 71 45.53 '#d5ef0c' +CG2 THR A 1 71 43.57 '#c6e811' +N VAL A 1 72 39.62 '#a7da1c' +CA VAL A 1 72 39.62 '#a7da1c' +C VAL A 1 72 38.74 '#a0d71f' +O VAL A 1 72 39.69 '#a8db1c' +CB VAL A 1 72 38.81 '#a1d81e' +CG1 VAL A 1 72 39.74 '#a8db1c' +CG2 VAL A 1 72 39.77 '#a8db1c' +N LEU A 1 73 39.33 '#a5d91d' +CA LEU A 1 73 39.24 '#a4d91d' +C LEU A 1 73 41.87 '#b9e216' +O LEU A 1 73 39.42 '#a6da1d' +CB LEU A 1 73 38.41 '#9ed61f' +CG LEU A 1 73 40.00 '#aadc1b' +CD1 LEU A 1 73 39.62 '#a7da1c' +CD2 LEU A 1 73 40.82 '#b1df19' +N VAL A 1 74 43.42 '#c5e812' +CA VAL A 1 74 48.12 '#eaf805' +C VAL A 1 74 48.66 '#eefa03' +O VAL A 1 74 50.59 '#f8fc00' +CB VAL A 1 74 48.79 '#effa03' +CG1 VAL A 1 74 50.34 '#f8fd00' +CG2 VAL A 1 74 47.76 '#e7f706' +N LYS A 1 75 51.85 '#f8f601' +CA LYS A 1 75 54.02 '#f6eb02' +C LYS A 1 75 54.82 '#f6e703' +O LYS A 1 75 55.81 '#f5e303' +CB LYS A 1 75 55.00 '#f6e603' +CG LYS A 1 75 57.59 '#f5da05' +CD LYS A 1 75 58.35 '#f4d605' +CE LYS A 1 75 58.74 '#f4d505' +NZ LYS A 1 75 58.16 '#f4d705' +N GLU A 1 76 54.71 '#f6e803' +CA GLU A 1 76 53.86 '#f6ec02' +C GLU A 1 76 53.58 '#f7ed02' +O GLU A 1 76 54.60 '#f6e803' +CB GLU A 1 76 53.60 '#f7ed02' +CG GLU A 1 76 55.88 '#f5e203' +CD GLU A 1 76 57.21 '#f5dc04' +OE1 GLU A 1 76 60.15 '#f3ce06' +OE2 GLU A 1 76 58.35 '#f4d605' +N CYS A 1 77 53.49 '#f7ee02' +CA CYS A 1 77 52.83 '#f7f101' +C CYS A 1 77 52.89 '#f7f101' +O CYS A 1 77 51.29 '#f8f800' +CB CYS A 1 77 52.33 '#f7f301' +SG CYS A 1 77 53.56 '#f7ed02' +N TYR A 1 78 53.95 '#f6ec02' +CA TYR A 1 78 54.61 '#f6e803' +C TYR A 1 78 53.38 '#f7ee02' +O TYR A 1 78 53.03 '#f7f002' +CB TYR A 1 78 56.40 '#f5e004' +CG TYR A 1 78 58.34 '#f4d605' +CD1 TYR A 1 78 59.43 '#f4d106' +CD2 TYR A 1 78 58.81 '#f4d405' +CE1 TYR A 1 78 59.35 '#f4d206' +CE2 TYR A 1 78 60.52 '#f3cc07' +CZ TYR A 1 78 60.73 '#f3cb07' +OH TYR A 1 78 61.19 '#f3c907' +N SER A 1 79 52.51 '#f7f201' +CA SER A 1 79 51.77 '#f8f601' +C SER A 1 79 51.00 '#f8fa00' +O SER A 1 79 52.05 '#f7f501' +CB SER A 1 79 52.27 '#f7f401' +OG SER A 1 79 51.12 '#f8f900' +N VAL A 1 80 49.64 '#f6fd00' +CA VAL A 1 80 47.74 '#e7f706' +C VAL A 1 80 46.77 '#dff308' +O VAL A 1 80 46.00 '#d9f10b' +CB VAL A 1 80 46.87 '#e0f408' +CG1 VAL A 1 80 45.56 '#d6ef0c' +CG2 VAL A 1 80 47.61 '#e6f606' +N PHE A 1 81 43.32 '#c4e712' +CA PHE A 1 81 43.25 '#c4e712' +C PHE A 1 81 41.13 '#b3e018' +O PHE A 1 81 42.25 '#bce415' +CB PHE A 1 81 41.88 '#b9e216' +CG PHE A 1 81 43.05 '#c2e613' +CD1 PHE A 1 81 45.10 '#d2ed0d' +CD2 PHE A 1 81 43.46 '#c5e812' +CE1 PHE A 1 81 46.96 '#e1f408' +CE2 PHE A 1 81 44.18 '#cbea10' +CZ PHE A 1 81 46.77 '#dff308' +N THR A 1 82 39.01 '#a2d81e' +CA THR A 1 82 38.31 '#9dd620' +C THR A 1 82 35.76 '#89cd27' +O THR A 1 82 34.26 '#7dc82b' +CB THR A 1 82 37.20 '#94d223' +OG1 THR A 1 82 39.92 '#a9db1b' +CG2 THR A 1 82 39.04 '#a3d81e' +N ASN A 1 83 34.86 '#82ca29' +CA ASN A 1 83 36.15 '#8cce26' +C ASN A 1 83 34.61 '#80c92a' +O ASN A 1 83 33.83 '#7ac62c' +CB ASN A 1 83 37.96 '#9ad521' +CG ASN A 1 83 41.62 '#b7e117' +OD1 ASN A 1 83 41.78 '#b8e216' +ND2 ASN A 1 83 45.04 '#d2ed0d' +N ARG A 1 84 35.26 '#85cb28' +CA ARG A 1 84 36.04 '#8bce26' +C ARG A 1 84 35.35 '#86cc28' +O ARG A 1 84 35.33 '#85cb28' +CB ARG A 1 84 36.06 '#8bce26' +CG ARG A 1 84 41.25 '#b4e018' +CD ARG A 1 84 43.45 '#c5e812' +NE ARG A 1 84 45.01 '#d1ed0d' +CZ ARG A 1 84 47.37 '#e4f507' +NH1 ARG A 1 84 46.01 '#d9f10b' +NH2 ARG A 1 84 47.59 '#e6f606' +N ARG A 1 85 36.02 '#8bce26' +CA ARG A 1 85 36.89 '#92d124' +C ARG A 1 85 38.44 '#9ed61f' +O ARG A 1 85 37.25 '#95d223' +CB ARG A 1 85 37.60 '#97d322' +CG ARG A 1 85 39.01 '#a2d81e' +CD ARG A 1 85 40.50 '#aedd1a' +NE ARG A 1 85 36.43 '#8ecf25' +CZ ARG A 1 85 35.91 '#8acd26' +NH1 ARG A 1 85 30.40 '#5fba36' +NH2 ARG A 1 85 34.26 '#7dc82b' +N PRO A 1 86 40.80 '#b0de19' +CA PRO A 1 86 41.34 '#b5e017' +C PRO A 1 86 40.80 '#b0de19' +O PRO A 1 86 40.64 '#afde19' +CB PRO A 1 86 41.82 '#b8e216' +CG PRO A 1 86 43.98 '#c9ea10' +CD PRO A 1 86 40.25 '#acdd1a' +N PHE A 1 87 41.68 '#b7e216' +CA PHE A 1 87 41.54 '#b6e117' +C PHE A 1 87 42.88 '#c1e613' +O PHE A 1 87 43.80 '#c8e911' +CB PHE A 1 87 39.69 '#a8db1c' +CG PHE A 1 87 37.64 '#98d322' +CD1 PHE A 1 87 36.31 '#8dcf25' +CD2 PHE A 1 87 39.02 '#a2d81e' +CE1 PHE A 1 87 36.25 '#8dcf25' +CE2 PHE A 1 87 39.08 '#a3d81e' +CZ PHE A 1 87 37.72 '#98d421' +N GLY A 1 88 41.19 '#b3e018' +CA GLY A 1 88 40.45 '#aedd1a' +C GLY A 1 88 40.68 '#afde19' +O GLY A 1 88 41.10 '#b3e018' +N PRO A 1 89 39.00 '#a2d81e' +CA PRO A 1 89 38.95 '#a2d81e' +C PRO A 1 89 38.05 '#9bd520' +O PRO A 1 89 36.39 '#8ecf25' +CB PRO A 1 89 36.16 '#8cce26' +CG PRO A 1 89 37.57 '#97d322' +CD PRO A 1 89 38.51 '#9ed71f' +N VAL A 1 90 39.53 '#a6da1c' +CA VAL A 1 90 43.89 '#c9e910' +C VAL A 1 90 45.15 '#d2ee0d' +O VAL A 1 90 43.65 '#c7e811' +CB VAL A 1 90 46.03 '#d9f10a' +CG1 VAL A 1 90 48.43 '#ecf904' +CG2 VAL A 1 90 47.75 '#e7f706' +N GLY A 1 91 44.95 '#d1ed0d' +CA GLY A 1 91 45.23 '#d3ee0d' +C GLY A 1 91 44.71 '#cfec0e' +O GLY A 1 91 44.96 '#d1ed0d' +N PHE A 1 92 45.72 '#d7f00b' +CA PHE A 1 92 46.97 '#e1f408' +C PHE A 1 92 46.43 '#ddf209' +O PHE A 1 92 46.32 '#dcf20a' +CB PHE A 1 92 48.23 '#ebf804' +CG PHE A 1 92 49.62 '#f6fd01' +CD1 PHE A 1 92 49.81 '#f7fe00' +CD2 PHE A 1 92 49.83 '#f7fe00' +CE1 PHE A 1 92 49.59 '#f5fd01' +CE2 PHE A 1 92 50.68 '#f8fb00' +CZ PHE A 1 92 51.93 '#f7f501' +N MET A 1 93 44.90 '#d1ed0e' +CA MET A 1 93 43.54 '#c6e811' +C MET A 1 93 43.17 '#c3e712' +O MET A 1 93 42.38 '#bde415' +CB MET A 1 93 42.64 '#bfe514' +CG MET A 1 93 42.98 '#c1e613' +SD MET A 1 93 42.43 '#bde414' +CE MET A 1 93 43.43 '#c5e812' +N LYS A 1 94 42.10 '#bbe315' +CA LYS A 1 94 44.78 '#d0ec0e' +C LYS A 1 94 44.36 '#cceb0f' +O LYS A 1 94 43.24 '#c4e712' +CB LYS A 1 94 48.26 '#ebf804' +CG LYS A 1 94 52.69 '#f7f201' +CD LYS A 1 94 56.59 '#f5df04' +CE LYS A 1 94 57.73 '#f4d905' +NZ LYS A 1 94 60.28 '#f3cd06' +N SER A 1 95 44.67 '#cfec0e' +CA SER A 1 95 44.91 '#d1ed0e' +C SER A 1 95 43.84 '#c8e911' +O SER A 1 95 43.83 '#c8e911' +CB SER A 1 95 45.67 '#d7ef0b' +OG SER A 1 95 48.14 '#eaf805' +N ALA A 1 96 40.46 '#aedd1a' +CA ALA A 1 96 40.60 '#afde19' +C ALA A 1 96 39.38 '#a5da1d' +O ALA A 1 96 36.84 '#91d124' +CB ALA A 1 96 37.29 '#95d223' +N ILE A 1 97 39.88 '#a9db1b' +CA ILE A 1 97 39.99 '#aadc1b' +C ILE A 1 97 38.75 '#a0d71f' +O ILE A 1 97 39.16 '#a4d91d' +CB ILE A 1 97 41.02 '#b2df18' +CG1 ILE A 1 97 43.14 '#c3e712' +CG2 ILE A 1 97 40.90 '#b1df19' +CD1 ILE A 1 97 44.92 '#d1ed0e' +N SER A 1 98 38.48 '#9ed61f' +CA SER A 1 98 37.87 '#99d421' +C SER A 1 98 37.98 '#9ad521' +O SER A 1 98 37.04 '#93d123' +CB SER A 1 98 37.33 '#95d222' +OG SER A 1 98 37.97 '#9ad521' +N ILE A 1 99 36.00 '#8bce26' +CA ILE A 1 99 36.78 '#91d024' +C ILE A 1 99 37.16 '#94d223' +O ILE A 1 99 35.89 '#8acd26' +CB ILE A 1 99 36.20 '#8cce26' +CG1 ILE A 1 99 36.22 '#8ccf26' +CG2 ILE A 1 99 36.40 '#8ecf25' +CD1 ILE A 1 99 35.26 '#85cb28' +N ALA A 1 100 39.23 '#a4d91d' +CA ALA A 1 100 42.26 '#bce415' +C ALA A 1 100 44.23 '#cbea0f' +O ALA A 1 100 44.42 '#cdeb0f' +CB ALA A 1 100 42.46 '#bde414' +N GLU A 1 101 44.71 '#cfec0e' +CA GLU A 1 101 46.36 '#dcf20a' +C GLU A 1 101 47.79 '#e7f706' +O GLU A 1 101 48.35 '#ecf904' +CB GLU A 1 101 49.16 '#f2fc02' +CG GLU A 1 101 47.97 '#e9f705' +CD GLU A 1 101 51.39 '#f8f800' +OE1 GLU A 1 101 53.66 '#f7ed02' +OE2 GLU A 1 101 49.98 '#f8fe00' +N ASP A 1 102 49.33 '#f3fc01' +CA ASP A 1 102 52.12 '#f7f401' +C ASP A 1 102 52.67 '#f7f201' +O ASP A 1 102 52.30 '#f7f301' +CB ASP A 1 102 52.59 '#f7f201' +CG ASP A 1 102 55.77 '#f5e303' +OD1 ASP A 1 102 58.71 '#f4d505' +OD2 ASP A 1 102 57.85 '#f4d905' +N GLU A 1 103 54.64 '#f6e803' +CA GLU A 1 103 56.06 '#f5e104' +C GLU A 1 103 56.88 '#f5dd04' +O GLU A 1 103 57.69 '#f5da05' +CB GLU A 1 103 57.47 '#f5db05' +CG GLU A 1 103 60.03 '#f3ce06' +CD GLU A 1 103 60.85 '#f3ca07' +OE1 GLU A 1 103 61.27 '#f3c807' +OE2 GLU A 1 103 62.20 '#f2c408' +N GLU A 1 104 57.25 '#f5dc04' +CA GLU A 1 104 58.54 '#f4d605' +C GLU A 1 104 57.87 '#f4d905' +O GLU A 1 104 58.61 '#f4d505' +CB GLU A 1 104 61.48 '#f3c707' +CG GLU A 1 104 65.39 '#f0b50a' +CD GLU A 1 104 67.14 '#f0ac0b' +OE1 GLU A 1 104 68.42 '#efa60c' +OE2 GLU A 1 104 67.90 '#efa90c' +N TRP A 1 105 56.96 '#f5dd04' +CA TRP A 1 105 54.75 '#f6e803' +C TRP A 1 105 55.02 '#f6e603' +O TRP A 1 105 52.59 '#f7f201' +CB TRP A 1 105 52.36 '#f7f301' +CG TRP A 1 105 48.70 '#eefa03' +CD1 TRP A 1 105 46.99 '#e1f408' +CD2 TRP A 1 105 47.43 '#e4f607' +NE1 TRP A 1 105 47.17 '#e2f507' +CE2 TRP A 1 105 45.96 '#d9f00b' +CE3 TRP A 1 105 44.74 '#cfec0e' +CZ2 TRP A 1 105 44.40 '#cdeb0f' +CZ3 TRP A 1 105 44.41 '#cdeb0f' +CH2 TRP A 1 105 42.28 '#bce415' +N LYS A 1 106 55.72 '#f6e303' +CA LYS A 1 106 56.94 '#f5dd04' +C LYS A 1 106 57.21 '#f5dc04' +O LYS A 1 106 56.80 '#f5de04' +CB LYS A 1 106 59.09 '#f4d306' +CG LYS A 1 106 60.91 '#f3ca07' +CD LYS A 1 106 62.27 '#f2c408' +CE LYS A 1 106 64.38 '#f1b909' +NZ LYS A 1 106 64.79 '#f1b80a' +N ARG A 1 107 57.73 '#f4d905' +CA ARG A 1 107 59.08 '#f4d306' +C ARG A 1 107 59.36 '#f4d206' +O ARG A 1 107 59.37 '#f4d206' +CB ARG A 1 107 59.81 '#f3cf06' +CG ARG A 1 107 61.06 '#f3c907' +CD ARG A 1 107 62.34 '#f2c308' +NE ARG A 1 107 64.22 '#f1ba09' +CZ ARG A 1 107 65.18 '#f1b60a' +NH1 ARG A 1 107 66.63 '#f0af0b' +NH2 ARG A 1 107 65.66 '#f0b30a' +N LEU A 1 108 58.67 '#f4d505' +CA LEU A 1 108 57.70 '#f4da05' +C LEU A 1 108 57.54 '#f5da05' +O LEU A 1 108 57.76 '#f4d905' +CB LEU A 1 108 56.70 '#f5de04' +CG LEU A 1 108 56.82 '#f5de04' +CD1 LEU A 1 108 55.44 '#f6e403' +CD2 LEU A 1 108 55.03 '#f6e603' +N ARG A 1 109 57.83 '#f4d905' +CA ARG A 1 109 59.41 '#f4d106' +C ARG A 1 109 60.91 '#f3ca07' +O ARG A 1 109 62.00 '#f2c508' +CB ARG A 1 109 56.89 '#f5dd04' +CG ARG A 1 109 55.99 '#f5e204' +CD ARG A 1 109 54.16 '#f6eb02' +NE ARG A 1 109 51.82 '#f8f601' +CZ ARG A 1 109 53.41 '#f7ee02' +NH1 ARG A 1 109 51.48 '#f8f701' +NH2 ARG A 1 109 52.92 '#f7f001' +N SER A 1 110 61.83 '#f2c608' +CA SER A 1 110 62.15 '#f2c408' +C SER A 1 110 62.30 '#f2c308' +O SER A 1 110 62.57 '#f2c208' +CB SER A 1 110 62.11 '#f2c408' +OG SER A 1 110 62.13 '#f2c408' +N LEU A 1 111 62.45 '#f2c308' +CA LEU A 1 111 63.27 '#f2bf09' +C LEU A 1 111 63.01 '#f2c008' +O LEU A 1 111 62.20 '#f2c408' +CB LEU A 1 111 64.04 '#f1bb09' +CG LEU A 1 111 65.09 '#f1b60a' +CD1 LEU A 1 111 64.42 '#f1b909' +CD2 LEU A 1 111 65.03 '#f1b60a' +N LEU A 1 112 63.04 '#f2c008' +CA LEU A 1 112 63.38 '#f2be09' +C LEU A 1 112 63.68 '#f1bd09' +O LEU A 1 112 63.65 '#f1bd09' +CB LEU A 1 112 63.75 '#f1bd09' +CG LEU A 1 112 63.88 '#f1bc09' +CD1 LEU A 1 112 64.80 '#f1b70a' +CD2 LEU A 1 112 64.80 '#f1b70a' +N SER A 1 113 64.43 '#f1b909' +CA SER A 1 113 64.85 '#f1b70a' +C SER A 1 113 64.73 '#f1b80a' +O SER A 1 113 64.81 '#f1b70a' +CB SER A 1 113 65.30 '#f1b50a' +OG SER A 1 113 66.97 '#f0ad0b' +N PRO A 1 114 64.13 '#f1bb09' +CA PRO A 1 114 63.59 '#f1bd09' +C PRO A 1 114 63.10 '#f2c008' +O PRO A 1 114 63.33 '#f2bf09' +CB PRO A 1 114 63.17 '#f2bf08' +CG PRO A 1 114 64.42 '#f1b909' +CD PRO A 1 114 63.67 '#f1bd09' +N THR A 1 115 62.09 '#f2c408' +CA THR A 1 115 61.08 '#f3c907' +C THR A 1 115 60.18 '#f3ce06' +O THR A 1 115 60.30 '#f3cd07' +CB THR A 1 115 61.84 '#f2c608' +OG1 THR A 1 115 62.81 '#f2c108' +CG2 THR A 1 115 60.44 '#f3cc07' +N PHE A 1 116 60.31 '#f3cd07' +CA PHE A 1 116 59.71 '#f3d006' +C PHE A 1 116 60.38 '#f3cd07' +O PHE A 1 116 59.78 '#f3d006' +CB PHE A 1 116 58.38 '#f4d605' +CG PHE A 1 116 57.47 '#f5db05' +CD1 PHE A 1 116 55.98 '#f5e204' +CD2 PHE A 1 116 56.25 '#f5e104' +CE1 PHE A 1 116 56.17 '#f5e104' +CE2 PHE A 1 116 55.70 '#f6e303' +CZ PHE A 1 116 56.40 '#f5e004' +N THR A 1 117 60.39 '#f3cd07' +CA THR A 1 117 60.59 '#f3cc07' +C THR A 1 117 59.95 '#f3cf06' +O THR A 1 117 59.91 '#f3cf06' +CB THR A 1 117 60.80 '#f3cb07' +OG1 THR A 1 117 61.94 '#f2c508' +CG2 THR A 1 117 61.50 '#f3c707' +N SER A 1 118 59.34 '#f4d206' +CA SER A 1 118 59.98 '#f3cf06' +C SER A 1 118 60.77 '#f3cb07' +O SER A 1 118 61.07 '#f3c907' +CB SER A 1 118 59.49 '#f4d106' +OG SER A 1 118 58.95 '#f4d406' +N GLY A 1 119 60.90 '#f3ca07' +CA GLY A 1 119 61.74 '#f2c607' +C GLY A 1 119 62.40 '#f2c308' +O GLY A 1 119 62.12 '#f2c408' +N LYS A 1 120 63.45 '#f2be09' +CA LYS A 1 120 64.47 '#f1b909' +C LYS A 1 120 64.71 '#f1b80a' +O LYS A 1 120 65.36 '#f1b50a' +CB LYS A 1 120 65.30 '#f1b50a' +CG LYS A 1 120 66.22 '#f0b10b' +CD LYS A 1 120 67.03 '#f0ad0b' +CE LYS A 1 120 67.43 '#efab0b' +NZ LYS A 1 120 68.14 '#efa70c' +N LEU A 1 121 65.32 '#f1b50a' +CA LEU A 1 121 65.96 '#f0b20a' +C LEU A 1 121 66.02 '#f0b20a' +O LEU A 1 121 65.65 '#f0b30a' +CB LEU A 1 121 64.94 '#f1b70a' +CG LEU A 1 121 64.99 '#f1b70a' +CD1 LEU A 1 121 63.55 '#f1bd09' +CD2 LEU A 1 121 63.73 '#f1bd09' +N LYS A 1 122 66.46 '#f0af0b' +CA LYS A 1 122 66.63 '#f0af0b' +C LYS A 1 122 66.42 '#f0b00b' +O LYS A 1 122 67.14 '#f0ac0b' +CB LYS A 1 122 67.11 '#f0ac0b' +CG LYS A 1 122 67.57 '#efaa0b' +CD LYS A 1 122 67.94 '#efa80c' +CE LYS A 1 122 67.58 '#efaa0b' +NZ LYS A 1 122 66.42 '#f0b00b' +N GLU A 1 123 65.70 '#f0b30a' +CA GLU A 1 123 64.62 '#f1b809' +C GLU A 1 123 63.03 '#f2c008' +O GLU A 1 123 62.86 '#f2c108' +CB GLU A 1 123 66.96 '#f0ad0b' +CG GLU A 1 123 70.41 '#ee9d0d' +CD GLU A 1 123 72.33 '#ed930f' +OE1 GLU A 1 123 73.91 '#ec8c10' +OE2 GLU A 1 123 73.79 '#ec8c10' +N MET A 1 124 61.33 '#f3c807' +CA MET A 1 124 60.11 '#f3ce06' +C MET A 1 124 57.90 '#f4d905' +O MET A 1 124 56.99 '#f5dd04' +CB MET A 1 124 62.14 '#f2c408' +CG MET A 1 124 63.70 '#f1bd09' +SD MET A 1 124 65.81 '#f0b30a' +CE MET A 1 124 63.69 '#f1bd09' +N VAL A 1 125 56.66 '#f5df04' +CA VAL A 1 125 55.87 '#f5e203' +C VAL A 1 125 56.00 '#f5e204' +O VAL A 1 125 56.34 '#f5e004' +CB VAL A 1 125 55.03 '#f6e603' +CG1 VAL A 1 125 51.82 '#f8f601' +CG2 VAL A 1 125 56.23 '#f5e104' +N PRO A 1 126 55.50 '#f6e403' +CA PRO A 1 126 55.23 '#f6e503' +C PRO A 1 126 55.22 '#f6e503' +O PRO A 1 126 55.58 '#f6e403' +CB PRO A 1 126 55.67 '#f6e303' +CG PRO A 1 126 56.07 '#f5e104' +CD PRO A 1 126 56.41 '#f5e004' +N ILE A 1 127 55.37 '#f6e503' +CA ILE A 1 127 56.10 '#f5e104' +C ILE A 1 127 55.02 '#f6e603' +O ILE A 1 127 54.39 '#f6e902' +CB ILE A 1 127 57.02 '#f5dd04' +CG1 ILE A 1 127 58.20 '#f4d705' +CG2 ILE A 1 127 57.87 '#f4d905' +CD1 ILE A 1 127 60.81 '#f3cb07' +N ILE A 1 128 55.03 '#f6e603' +CA ILE A 1 128 54.71 '#f6e803' +C ILE A 1 128 53.96 '#f6eb02' +O ILE A 1 128 52.25 '#f7f401' +CB ILE A 1 128 54.67 '#f6e803' +CG1 ILE A 1 128 55.83 '#f5e303' +CG2 ILE A 1 128 55.43 '#f6e403' +CD1 ILE A 1 128 56.85 '#f5de04' +N ALA A 1 129 54.52 '#f6e903' +CA ALA A 1 129 55.16 '#f6e603' +C ALA A 1 129 54.76 '#f6e803' +O ALA A 1 129 55.40 '#f6e503' +CB ALA A 1 129 56.21 '#f5e104' +N GLN A 1 130 55.19 '#f6e603' +CA GLN A 1 130 53.91 '#f6ec02' +C GLN A 1 130 51.59 '#f8f701' +O GLN A 1 130 51.94 '#f7f501' +CB GLN A 1 130 56.77 '#f5de04' +CG GLN A 1 130 60.49 '#f3cc07' +CD GLN A 1 130 63.07 '#f2c008' +OE1 GLN A 1 130 64.06 '#f1bb09' +NE2 GLN A 1 130 65.44 '#f0b40a' +N TYR A 1 131 49.63 '#f6fd01' +CA TYR A 1 131 47.48 '#e5f606' +C TYR A 1 131 46.50 '#ddf209' +O TYR A 1 131 44.44 '#cdeb0f' +CB TYR A 1 131 48.55 '#edf904' +CG TYR A 1 131 49.32 '#f3fc01' +CD1 TYR A 1 131 50.23 '#f8fd00' +CD2 TYR A 1 131 48.82 '#effa03' +CE1 TYR A 1 131 51.91 '#f8f501' +CE2 TYR A 1 131 50.39 '#f8fd00' +CZ TYR A 1 131 51.27 '#f8f800' +OH TYR A 1 131 54.42 '#f6e903' +N GLY A 1 132 46.51 '#ddf209' +CA GLY A 1 132 46.83 '#e0f308' +C GLY A 1 132 46.58 '#def309' +O GLY A 1 132 45.58 '#d6ef0c' +N ASP A 1 133 47.43 '#e4f607' +CA ASP A 1 133 48.39 '#ecf904' +C ASP A 1 133 47.66 '#e6f606' +O ASP A 1 133 47.47 '#e5f606' +CB ASP A 1 133 49.92 '#f8fe00' +CG ASP A 1 133 52.78 '#f7f101' +OD1 ASP A 1 133 52.70 '#f7f201' +OD2 ASP A 1 133 54.89 '#f6e703' +N VAL A 1 134 46.50 '#ddf209' +CA VAL A 1 134 44.68 '#cfec0e' +C VAL A 1 134 43.80 '#c8e911' +O VAL A 1 134 41.91 '#b9e216' +CB VAL A 1 134 46.52 '#ddf209' +CG1 VAL A 1 134 43.97 '#c9ea10' +CG2 VAL A 1 134 45.06 '#d2ed0d' +N LEU A 1 135 42.45 '#bde414' +CA LEU A 1 135 42.37 '#bde415' +C LEU A 1 135 41.31 '#b4e017' +O LEU A 1 135 39.83 '#a9db1c' +CB LEU A 1 135 42.93 '#c1e613' +CG LEU A 1 135 43.93 '#c9e910' +CD1 LEU A 1 135 42.28 '#bce415' +CD2 LEU A 1 135 44.26 '#cbeb0f' +N VAL A 1 136 43.24 '#c4e712' +CA VAL A 1 136 44.17 '#cbea10' +C VAL A 1 136 45.02 '#d1ed0d' +O VAL A 1 136 42.05 '#bae315' +CB VAL A 1 136 43.66 '#c7e811' +CG1 VAL A 1 136 45.86 '#d8f00b' +CG2 VAL A 1 136 44.21 '#cbea0f' +N ARG A 1 137 46.53 '#ddf209' +CA ARG A 1 137 48.52 '#edf904' +C ARG A 1 137 48.29 '#ebf904' +O ARG A 1 137 48.72 '#eefa03' +CB ARG A 1 137 51.87 '#f8f601' +CG ARG A 1 137 56.30 '#f5e004' +CD ARG A 1 137 60.55 '#f3cc07' +NE ARG A 1 137 63.75 '#f1bd09' +CZ ARG A 1 137 64.05 '#f1bb09' +NH1 ARG A 1 137 64.73 '#f1b80a' +NH2 ARG A 1 137 65.29 '#f1b50a' +N ASN A 1 138 48.51 '#edf904' +CA ASN A 1 138 48.57 '#edfa03' +C ASN A 1 138 50.22 '#f8fd00' +O ASN A 1 138 49.63 '#f6fd01' +CB ASN A 1 138 48.68 '#eefa03' +CG ASN A 1 138 48.58 '#edfa03' +OD1 ASN A 1 138 49.04 '#f1fb02' +ND2 ASN A 1 138 44.08 '#caea10' +N LEU A 1 139 51.11 '#f8f900' +CA LEU A 1 139 54.37 '#f6ea02' +C LEU A 1 139 55.24 '#f6e503' +O LEU A 1 139 52.49 '#f7f301' +CB LEU A 1 139 54.76 '#f6e803' +CG LEU A 1 139 53.66 '#f7ed02' +CD1 LEU A 1 139 54.36 '#f6ea02' +CD2 LEU A 1 139 53.69 '#f7ed02' +N ARG A 1 140 57.43 '#f5db05' +CA ARG A 1 140 61.84 '#f2c608' +C ARG A 1 140 64.35 '#f1ba09' +O ARG A 1 140 64.16 '#f1bb09' +CB ARG A 1 140 61.86 '#f2c608' +CG ARG A 1 140 61.91 '#f2c508' +CD ARG A 1 140 60.54 '#f3cc07' +NE ARG A 1 140 60.12 '#f3ce06' +CZ ARG A 1 140 59.82 '#f3cf06' +NH1 ARG A 1 140 58.68 '#f4d505' +NH2 ARG A 1 140 59.12 '#f4d306' +N ARG A 1 141 66.59 '#f0af0b' +CA ARG A 1 141 70.14 '#ee9e0d' +C ARG A 1 141 71.80 '#ed960e' +O ARG A 1 141 72.66 '#ed920f' +CB ARG A 1 141 70.29 '#ee9d0d' +CG ARG A 1 141 71.74 '#ed960e' +CD ARG A 1 141 73.19 '#ec8f0f' +NE ARG A 1 141 74.17 '#ec8a10' +CZ ARG A 1 141 75.39 '#eb8511' +NH1 ARG A 1 141 75.57 '#ea8411' +NH2 ARG A 1 141 75.17 '#eb8611' +N GLU A 1 142 74.22 '#ec8a10' +CA GLU A 1 142 75.37 '#eb8511' +C GLU A 1 142 75.20 '#eb8611' +O GLU A 1 142 74.16 '#ec8b10' +CB GLU A 1 142 76.72 '#e88012' +CG GLU A 1 142 78.82 '#e57713' +CD GLU A 1 142 80.35 '#e27114' +OE1 GLU A 1 142 80.63 '#e17014' +OE2 GLU A 1 142 80.98 '#e16e15' +N ALA A 1 143 75.70 '#ea8411' +CA ALA A 1 143 76.46 '#e98111' +C ALA A 1 143 76.81 '#e87f12' +O ALA A 1 143 76.94 '#e87f12' +CB ALA A 1 143 76.43 '#e98111' +N GLU A 1 144 77.74 '#e77b12' +CA GLU A 1 144 78.02 '#e67a13' +C GLU A 1 144 78.15 '#e67a13' +O GLU A 1 144 78.27 '#e67913' +CB GLU A 1 144 78.25 '#e67913' +CG GLU A 1 144 77.70 '#e77c12' +CD GLU A 1 144 78.89 '#e47713' +OE1 GLU A 1 144 79.21 '#e47513' +OE2 GLU A 1 144 77.85 '#e67b12' +N THR A 1 145 78.08 '#e67a13' +CA THR A 1 145 78.26 '#e67913' +C THR A 1 145 77.55 '#e77c12' +O THR A 1 145 77.70 '#e77c12' +CB THR A 1 145 79.27 '#e47513' +OG1 THR A 1 145 78.87 '#e57713' +CG2 THR A 1 145 78.99 '#e47613' +N GLY A 1 146 76.95 '#e87f12' +CA GLY A 1 146 75.08 '#eb8611' +C GLY A 1 146 73.17 '#ec8f0f' +O GLY A 1 146 74.16 '#ec8b10' +N LYS A 1 147 70.96 '#ee9a0e' +CA LYS A 1 147 68.00 '#efa80c' +C LYS A 1 147 65.10 '#f1b60a' +O LYS A 1 147 64.59 '#f1b809' +CB LYS A 1 147 68.62 '#efa50c' +CG LYS A 1 147 68.57 '#efa50c' +CD LYS A 1 147 68.97 '#efa30c' +CE LYS A 1 147 69.75 '#eea00d' +NZ LYS A 1 147 69.57 '#eea10d' +N PRO A 1 148 62.27 '#f2c408' +CA PRO A 1 148 60.59 '#f3cc07' +C PRO A 1 148 58.00 '#f4d805' +O PRO A 1 148 57.92 '#f4d805' +CB PRO A 1 148 60.56 '#f3cc07' +CG PRO A 1 148 62.38 '#f2c308' +CD PRO A 1 148 62.09 '#f2c408' +N VAL A 1 149 55.23 '#f6e503' +CA VAL A 1 149 52.54 '#f7f201' +C VAL A 1 149 51.23 '#f8f900' +O VAL A 1 149 50.07 '#f8fe00' +CB VAL A 1 149 51.81 '#f8f601' +CG1 VAL A 1 149 52.31 '#f7f301' +CG2 VAL A 1 149 53.39 '#f7ee02' +N THR A 1 150 49.39 '#f4fc01' +CA THR A 1 150 48.19 '#eaf804' +C THR A 1 150 46.34 '#dcf20a' +O THR A 1 150 45.15 '#d2ee0d' +CB THR A 1 150 50.06 '#f8fe00' +OG1 THR A 1 150 48.53 '#edf904' +CG2 THR A 1 150 49.34 '#f3fc01' +N LEU A 1 151 44.36 '#cceb0f' +CA LEU A 1 151 43.48 '#c5e811' +C LEU A 1 151 42.37 '#bde415' +O LEU A 1 151 41.88 '#b9e216' +CB LEU A 1 151 40.38 '#addd1a' +CG LEU A 1 151 40.01 '#aadc1b' +CD1 LEU A 1 151 35.43 '#86cc28' +CD2 LEU A 1 151 39.73 '#a8db1c' +N LYS A 1 152 43.52 '#c6e811' +CA LYS A 1 152 46.06 '#daf10a' +C LYS A 1 152 44.00 '#c9ea10' +O LYS A 1 152 43.87 '#c8e910' +CB LYS A 1 152 47.42 '#e4f607' +CG LYS A 1 152 52.72 '#f7f101' +CD LYS A 1 152 55.69 '#f6e303' +CE LYS A 1 152 57.64 '#f5da05' +NZ LYS A 1 152 57.30 '#f5db04' +N ASP A 1 153 44.02 '#caea10' +CA ASP A 1 153 44.19 '#cbea10' +C ASP A 1 153 43.13 '#c3e712' +O ASP A 1 153 41.99 '#bae316' +CB ASP A 1 153 44.27 '#cceb0f' +CG ASP A 1 153 45.21 '#d3ee0d' +OD1 ASP A 1 153 45.81 '#d8f00b' +OD2 ASP A 1 153 45.61 '#d6ef0c' +N VAL A 1 154 42.60 '#bee514' +CA VAL A 1 154 41.08 '#b3df18' +C VAL A 1 154 39.55 '#a7da1c' +O VAL A 1 154 37.26 '#95d223' +CB VAL A 1 154 43.44 '#c5e812' +CG1 VAL A 1 154 44.72 '#cfec0e' +CG2 VAL A 1 154 45.48 '#d5ef0c' +N PHE A 1 155 37.68 '#98d422' +CA PHE A 1 155 39.60 '#a7da1c' +C PHE A 1 155 38.05 '#9bd520' +O PHE A 1 155 38.70 '#a0d71f' +CB PHE A 1 155 40.49 '#aedd1a' +CG PHE A 1 155 44.06 '#caea10' +CD1 PHE A 1 155 43.79 '#c8e911' +CD2 PHE A 1 155 45.08 '#d2ed0d' +CE1 PHE A 1 155 45.05 '#d2ed0d' +CE2 PHE A 1 155 46.99 '#e1f408' +CZ PHE A 1 155 46.63 '#def309' +N GLY A 1 156 38.23 '#9cd620' +CA GLY A 1 156 38.70 '#a0d71f' +C GLY A 1 156 38.28 '#9dd620' +O GLY A 1 156 37.89 '#9ad421' +N ALA A 1 157 40.13 '#abdc1b' +CA ALA A 1 157 38.38 '#9dd620' +C ALA A 1 157 39.28 '#a4d91d' +O ALA A 1 157 36.89 '#92d124' +CB ALA A 1 157 40.34 '#addd1a' +N TYR A 1 158 37.29 '#95d223' +CA TYR A 1 158 37.22 '#94d223' +C TYR A 1 158 37.22 '#94d223' +O TYR A 1 158 37.62 '#97d322' +CB TYR A 1 158 37.99 '#9ad521' +CG TYR A 1 158 36.56 '#8fd025' +CD1 TYR A 1 158 38.41 '#9ed61f' +CD2 TYR A 1 158 35.60 '#88cc27' +CE1 TYR A 1 158 38.59 '#9fd71f' +CE2 TYR A 1 158 38.51 '#9ed71f' +CZ TYR A 1 158 38.01 '#9ad521' +OH TYR A 1 158 37.29 '#95d223' +N SER A 1 159 37.65 '#98d422' +CA SER A 1 159 36.89 '#92d124' +C SER A 1 159 36.61 '#90d024' +O SER A 1 159 34.28 '#7dc82b' +CB SER A 1 159 35.54 '#87cc27' +OG SER A 1 159 38.50 '#9ed61f' +N MET A 1 160 39.38 '#a5da1d' +CA MET A 1 160 44.36 '#cceb0f' +C MET A 1 160 45.81 '#d8f00b' +O MET A 1 160 46.49 '#ddf209' +CB MET A 1 160 45.69 '#d7f00b' +CG MET A 1 160 48.23 '#ebf804' +SD MET A 1 160 53.51 '#f7ee02' +CE MET A 1 160 47.90 '#e8f705' +N ASP A 1 161 46.96 '#e1f408' +CA ASP A 1 161 48.25 '#ebf804' +C ASP A 1 161 49.73 '#f6fe00' +O ASP A 1 161 50.34 '#f8fd00' +CB ASP A 1 161 51.06 '#f8f900' +CG ASP A 1 161 52.57 '#f7f201' +OD1 ASP A 1 161 54.01 '#f6eb02' +OD2 ASP A 1 161 54.64 '#f6e803' +N VAL A 1 162 48.33 '#ebf904' +CA VAL A 1 162 47.68 '#e6f606' +C VAL A 1 162 48.16 '#eaf805' +O VAL A 1 162 48.08 '#e9f805' +CB VAL A 1 162 47.29 '#e3f507' +CG1 VAL A 1 162 46.40 '#dcf209' +CG2 VAL A 1 162 49.19 '#f2fc02' +N ILE A 1 163 48.19 '#eaf804' +CA ILE A 1 163 48.91 '#f0fb03' +C ILE A 1 163 49.73 '#f6fe00' +O ILE A 1 163 49.97 '#f8fe00' +CB ILE A 1 163 48.51 '#edf904' +CG1 ILE A 1 163 49.20 '#f2fc02' +CG2 ILE A 1 163 47.59 '#e6f606' +CD1 ILE A 1 163 50.75 '#f8fb00' +N THR A 1 164 49.60 '#f5fd01' +CA THR A 1 164 53.56 '#f7ed02' +C THR A 1 164 55.57 '#f6e403' +O THR A 1 164 56.71 '#f5de04' +CB THR A 1 164 53.16 '#f7ef02' +OG1 THR A 1 164 54.50 '#f6e903' +CG2 THR A 1 164 53.94 '#f6ec02' +N SER A 1 165 57.89 '#f4d905' +CA SER A 1 165 59.34 '#f4d206' +C SER A 1 165 60.74 '#f3cb07' +O SER A 1 165 61.98 '#f2c508' +CB SER A 1 165 59.70 '#f3d006' +OG SER A 1 165 59.52 '#f4d106' +N THR A 1 166 62.04 '#f2c508' +CA THR A 1 166 62.75 '#f2c108' +C THR A 1 166 64.39 '#f1b909' +O THR A 1 166 63.66 '#f1bd09' +CB THR A 1 166 62.34 '#f2c308' +OG1 THR A 1 166 59.81 '#f3cf06' +CG2 THR A 1 166 61.53 '#f3c707' +N SER A 1 167 68.30 '#efa70c' +CA SER A 1 167 70.42 '#ee9c0d' +C SER A 1 167 71.91 '#ed950e' +O SER A 1 167 72.18 '#ed940f' +CB SER A 1 167 71.82 '#ed960e' +OG SER A 1 167 72.82 '#ed910f' +N PHE A 1 168 73.06 '#ed900f' +CA PHE A 1 168 73.18 '#ec8f0f' +C PHE A 1 168 73.08 '#ec900f' +O PHE A 1 168 71.98 '#ed950e' +CB PHE A 1 168 74.48 '#ec8910' +CG PHE A 1 168 75.07 '#eb8611' +CD1 PHE A 1 168 74.36 '#ec8a10' +CD2 PHE A 1 168 75.24 '#eb8611' +CE1 PHE A 1 168 74.02 '#ec8b10' +CE2 PHE A 1 168 74.69 '#ec8810' +CZ PHE A 1 168 74.44 '#ec8910' +N GLY A 1 169 73.35 '#ec8e0f' +CA GLY A 1 169 73.15 '#ec8f0f' +C GLY A 1 169 72.69 '#ed920f' +O GLY A 1 169 73.28 '#ec8f0f' +N VAL A 1 170 71.45 '#ed980e' +CA VAL A 1 170 70.77 '#ee9b0e' +C VAL A 1 170 70.51 '#ee9c0d' +O VAL A 1 170 71.67 '#ed960e' +CB VAL A 1 170 70.42 '#ee9c0d' +CG1 VAL A 1 170 69.23 '#efa20d' +CG2 VAL A 1 170 70.28 '#ee9d0d' +N ASN A 1 171 68.72 '#efa50c' +CA ASN A 1 171 67.70 '#efaa0c' +C ASN A 1 171 66.31 '#f0b00b' +O ASN A 1 171 66.47 '#f0af0b' +CB ASN A 1 171 68.08 '#efa80c' +CG ASN A 1 171 69.68 '#eea00d' +OD1 ASN A 1 171 69.62 '#eea00d' +ND2 ASN A 1 171 69.67 '#eea00d' +N ILE A 1 172 64.82 '#f1b70a' +CA ILE A 1 172 63.37 '#f2be09' +C ILE A 1 172 61.44 '#f3c807' +O ILE A 1 172 60.90 '#f3ca07' +CB ILE A 1 172 63.57 '#f1bd09' +CG1 ILE A 1 172 63.60 '#f1bd09' +CG2 ILE A 1 172 62.40 '#f2c308' +CD1 ILE A 1 172 63.81 '#f1bc09' +N ASP A 1 173 60.69 '#f3cb07' +CA ASP A 1 173 60.25 '#f3cd06' +C ASP A 1 173 59.68 '#f3d006' +O ASP A 1 173 60.62 '#f3cc07' +CB ASP A 1 173 60.84 '#f3ca07' +CG ASP A 1 173 62.09 '#f2c408' +OD1 ASP A 1 173 60.46 '#f3cc07' +OD2 ASP A 1 173 63.70 '#f1bd09' +N SER A 1 174 58.21 '#f4d705' +CA SER A 1 174 57.02 '#f5dd04' +C SER A 1 174 56.40 '#f5e004' +O SER A 1 174 56.02 '#f5e204' +CB SER A 1 174 58.82 '#f4d405' +OG SER A 1 174 58.11 '#f4d805' +N LEU A 1 175 56.47 '#f5df04' +CA LEU A 1 175 56.56 '#f5df04' +C LEU A 1 175 57.28 '#f5dc04' +O LEU A 1 175 56.03 '#f5e204' +CB LEU A 1 175 56.11 '#f5e104' +CG LEU A 1 175 55.90 '#f5e204' +CD1 LEU A 1 175 55.26 '#f6e503' +CD2 LEU A 1 175 55.71 '#f6e303' +N ASN A 1 176 58.13 '#f4d705' +CA ASN A 1 176 60.19 '#f3ce06' +C ASN A 1 176 61.37 '#f3c807' +O ASN A 1 176 61.55 '#f2c707' +CB ASN A 1 176 59.80 '#f3cf06' +CG ASN A 1 176 58.96 '#f4d306' +OD1 ASN A 1 176 59.20 '#f4d206' +ND2 ASN A 1 176 57.59 '#f5da05' +N ASN A 1 177 61.99 '#f2c508' +CA ASN A 1 177 62.35 '#f2c308' +C ASN A 1 177 62.07 '#f2c508' +O ASN A 1 177 61.75 '#f2c607' +CB ASN A 1 177 62.60 '#f2c208' +CG ASN A 1 177 64.44 '#f1b909' +OD1 ASN A 1 177 65.08 '#f1b60a' +ND2 ASN A 1 177 64.93 '#f1b70a' +N PRO A 1 178 63.19 '#f2bf08' +CA PRO A 1 178 64.02 '#f1bb09' +C PRO A 1 178 65.08 '#f1b60a' +O PRO A 1 178 65.55 '#f0b40a' +CB PRO A 1 178 63.42 '#f2be09' +CG PRO A 1 178 63.83 '#f1bc09' +CD PRO A 1 178 63.40 '#f2be09' +N GLN A 1 179 66.05 '#f0b10a' +CA GLN A 1 179 67.20 '#f0ac0b' +C GLN A 1 179 67.10 '#f0ac0b' +O GLN A 1 179 66.96 '#f0ad0b' +CB GLN A 1 179 67.51 '#efaa0b' +CG GLN A 1 179 68.28 '#efa70c' +CD GLN A 1 179 69.47 '#eea10d' +OE1 GLN A 1 179 68.90 '#efa40c' +NE2 GLN A 1 179 69.18 '#efa20d' +N ASP A 1 180 67.03 '#f0ad0b' +CA ASP A 1 180 67.80 '#efa90c' +C ASP A 1 180 69.15 '#efa30d' +O ASP A 1 180 68.67 '#efa50c' +CB ASP A 1 180 67.05 '#f0ad0b' +CG ASP A 1 180 66.99 '#f0ad0b' +OD1 ASP A 1 180 66.30 '#f0b00b' +OD2 ASP A 1 180 67.54 '#efaa0b' +N PRO A 1 181 70.40 '#ee9d0d' +CA PRO A 1 181 70.08 '#ee9e0d' +C PRO A 1 181 69.16 '#efa30d' +O PRO A 1 181 68.71 '#efa50c' +CB PRO A 1 181 70.29 '#ee9d0d' +CG PRO A 1 181 70.64 '#ee9b0e' +CD PRO A 1 181 70.73 '#ee9b0e' +N PHE A 1 182 68.07 '#efa80c' +CA PHE A 1 182 67.27 '#f0ac0b' +C PHE A 1 182 67.45 '#efab0b' +O PHE A 1 182 67.15 '#f0ac0b' +CB PHE A 1 182 66.77 '#f0ae0b' +CG PHE A 1 182 66.00 '#f0b20a' +CD1 PHE A 1 182 66.56 '#f0af0b' +CD2 PHE A 1 182 66.87 '#f0ae0b' +CE1 PHE A 1 182 66.11 '#f0b10a' +CE2 PHE A 1 182 66.45 '#f0b00b' +CZ PHE A 1 182 66.23 '#f0b10b' +N VAL A 1 183 66.86 '#f0ae0b' +CA VAL A 1 183 66.16 '#f0b10a' +C VAL A 1 183 66.09 '#f0b10a' +O VAL A 1 183 65.35 '#f1b50a' +CB VAL A 1 183 66.61 '#f0af0b' +CG1 VAL A 1 183 66.36 '#f0b00b' +CG2 VAL A 1 183 67.31 '#efab0b' +N GLU A 1 184 65.84 '#f0b20a' +CA GLU A 1 184 65.52 '#f0b40a' +C GLU A 1 184 63.75 '#f1bd09' +O GLU A 1 184 62.75 '#f2c108' +CB GLU A 1 184 67.57 '#efaa0b' +CG GLU A 1 184 70.99 '#ee9a0e' +CD GLU A 1 184 73.70 '#ec8d10' +OE1 GLU A 1 184 74.31 '#ec8a10' +OE2 GLU A 1 184 75.31 '#eb8511' +N ASN A 1 185 61.42 '#f3c807' +CA ASN A 1 185 59.46 '#f4d106' +C ASN A 1 185 57.58 '#f5da05' +O ASN A 1 185 56.50 '#f5df04' +CB ASN A 1 185 60.65 '#f3cb07' +CG ASN A 1 185 61.34 '#f3c807' +OD1 ASN A 1 185 60.75 '#f3cb07' +ND2 ASN A 1 185 59.42 '#f4d106' +N THR A 1 186 54.45 '#f6e903' +CA THR A 1 186 51.89 '#f8f501' +C THR A 1 186 49.59 '#f5fd01' +O THR A 1 186 46.56 '#def309' +CB THR A 1 186 52.13 '#f7f401' +OG1 THR A 1 186 51.06 '#f8f900' +CG2 THR A 1 186 50.88 '#f8fa00' +N LYS A 1 187 47.33 '#e4f507' +CA LYS A 1 187 46.90 '#e0f408' +C LYS A 1 187 46.61 '#def309' +O LYS A 1 187 47.00 '#e1f408' +CB LYS A 1 187 48.61 '#eefa03' +CG LYS A 1 187 51.94 '#f7f501' +CD LYS A 1 187 55.47 '#f6e403' +CE LYS A 1 187 55.88 '#f5e203' +NZ LYS A 1 187 56.19 '#f5e104' +N LYS A 1 188 46.02 '#d9f10a' +CA LYS A 1 188 45.15 '#d2ee0d' +C LYS A 1 188 43.26 '#c4e712' +O LYS A 1 188 44.62 '#ceec0e' +CB LYS A 1 188 46.71 '#dff309' +CG LYS A 1 188 46.64 '#def309' +CD LYS A 1 188 49.37 '#f4fc01' +CE LYS A 1 188 50.41 '#f8fd00' +NZ LYS A 1 188 50.53 '#f8fc00' +N LEU A 1 189 43.00 '#c2e613' +CA LEU A 1 189 41.94 '#b9e216' +C LEU A 1 189 40.88 '#b1df19' +O LEU A 1 189 37.68 '#98d422' +CB LEU A 1 189 42.71 '#bfe514' +CG LEU A 1 189 43.16 '#c3e712' +CD1 LEU A 1 189 41.86 '#b9e216' +CD2 LEU A 1 189 42.69 '#bfe514' +N LEU A 1 190 40.49 '#aedd1a' +CA LEU A 1 190 41.41 '#b5e117' +C LEU A 1 190 39.27 '#a4d91d' +O LEU A 1 190 37.68 '#98d422' +CB LEU A 1 190 42.31 '#bce415' +CG LEU A 1 190 46.26 '#dbf10a' +CD1 LEU A 1 190 46.94 '#e1f408' +CD2 LEU A 1 190 45.78 '#d7f00b' +N ARG A 1 191 39.54 '#a6da1c' +CA ARG A 1 191 38.74 '#a0d71f' +C ARG A 1 191 35.46 '#87cc28' +O ARG A 1 191 37.24 '#94d223' +CB ARG A 1 191 40.73 '#b0de19' +CG ARG A 1 191 42.92 '#c1e613' +CD ARG A 1 191 45.88 '#d8f00b' +NE ARG A 1 191 48.08 '#e9f805' +CZ ARG A 1 191 49.10 '#f1fb02' +NH1 ARG A 1 191 50.15 '#f8fe00' +NH2 ARG A 1 191 49.58 '#f5fd01' +N PHE A 1 192 34.26 '#7dc82b' +CA PHE A 1 192 34.13 '#7cc72b' +C PHE A 1 192 34.29 '#7dc82b' +O PHE A 1 192 36.01 '#8bce26' +CB PHE A 1 192 33.06 '#74c42e' +CG PHE A 1 192 32.89 '#72c32f' +CD1 PHE A 1 192 32.33 '#6ec130' +CD2 PHE A 1 192 31.49 '#67be33' +CE1 PHE A 1 192 34.96 '#83ca29' +CE2 PHE A 1 192 34.06 '#7cc72b' +CZ PHE A 1 192 33.88 '#7ac62c' +N ASP A 1 193 33.56 '#78c52d' +CA ASP A 1 193 32.93 '#73c32f' +C ASP A 1 193 32.41 '#6fc130' +O ASP A 1 193 28.00 '#4cb23c' +CB ASP A 1 193 34.33 '#7ec82b' +CG ASP A 1 193 35.84 '#89cd27' +OD1 ASP A 1 193 35.72 '#89cd27' +OD2 ASP A 1 193 40.21 '#acdc1b' +N PHE A 1 194 31.06 '#64bd34' +CA PHE A 1 194 31.77 '#6abf32' +C PHE A 1 194 29.36 '#57b738' +O PHE A 1 194 29.85 '#5bb837' +CB PHE A 1 194 31.93 '#6bc031' +CG PHE A 1 194 33.69 '#79c62d' +CD1 PHE A 1 194 35.69 '#88cd27' +CD2 PHE A 1 194 37.09 '#93d223' +CE1 PHE A 1 194 35.06 '#83cb29' +CE2 PHE A 1 194 35.61 '#88cc27' +CZ PHE A 1 194 35.50 '#87cc28' +N LEU A 1 195 29.94 '#5bb937' +CA LEU A 1 195 29.75 '#5ab837' +C LEU A 1 195 30.14 '#5db936' +O LEU A 1 195 30.88 '#63bc34' +CB LEU A 1 195 29.64 '#59b838' +CG LEU A 1 195 28.81 '#52b53a' +CD1 LEU A 1 195 25.62 '#39aa43' +CD2 LEU A 1 195 25.61 '#39aa43' +N ASP A 1 196 30.98 '#63bc34' +CA ASP A 1 196 33.62 '#78c52d' +C ASP A 1 196 34.67 '#80c92a' +O ASP A 1 196 33.56 '#78c52d' +CB ASP A 1 196 32.97 '#73c32f' +CG ASP A 1 196 34.16 '#7cc72b' +OD1 ASP A 1 196 36.84 '#91d124' +OD2 ASP A 1 196 36.83 '#91d124' +N PRO A 1 197 36.00 '#8bce26' +CA PRO A 1 197 35.24 '#85cb28' +C PRO A 1 197 33.77 '#79c62c' +O PRO A 1 197 32.65 '#70c22f' +CB PRO A 1 197 36.65 '#90d024' +CG PRO A 1 197 37.17 '#94d223' +CD PRO A 1 197 36.72 '#90d024' +N PHE A 1 198 31.39 '#67be33' +CA PHE A 1 198 30.58 '#60bb35' +C PHE A 1 198 28.21 '#4eb33c' +O PHE A 1 198 26.68 '#42ad40' +CB PHE A 1 198 28.85 '#53b53a' +CG PHE A 1 198 31.95 '#6bc031' +CD1 PHE A 1 198 33.13 '#74c42e' +CD2 PHE A 1 198 31.25 '#66bd33' +CE1 PHE A 1 198 33.99 '#7bc72c' +CE2 PHE A 1 198 33.70 '#79c62c' +CZ PHE A 1 198 36.39 '#8ecf25' +N PHE A 1 199 28.07 '#4db23c' +CA PHE A 1 199 26.47 '#40ad40' +C PHE A 1 199 23.73 '#34a44c' +O PHE A 1 199 27.37 '#47b03e' +CB PHE A 1 199 25.77 '#3baa42' +CG PHE A 1 199 24.15 '#34a54a' +CD1 PHE A 1 199 24.02 '#34a54b' +CD2 PHE A 1 199 25.36 '#37a944' +CE1 PHE A 1 199 24.76 '#34a746' +CE2 PHE A 1 199 22.47 '#34a054' +CZ PHE A 1 199 25.43 '#38a943' +N LEU A 1 200 26.13 '#3dab41' +CA LEU A 1 200 27.24 '#46af3e' +C LEU A 1 200 25.78 '#3baa42' +O LEU A 1 200 24.99 '#34a745' +CB LEU A 1 200 32.61 '#70c22f' +CG LEU A 1 200 36.49 '#8fcf25' +CD1 LEU A 1 200 38.83 '#a1d81e' +CD2 LEU A 1 200 37.40 '#96d322' +N SER A 1 201 24.30 '#34a649' +CA SER A 1 201 24.40 '#34a648' +C SER A 1 201 24.26 '#34a549' +O SER A 1 201 26.24 '#3eac41' +CB SER A 1 201 24.47 '#34a648' +OG SER A 1 201 28.13 '#4db23c' +N ILE A 1 202 23.21 '#34a250' +CA ILE A 1 202 26.27 '#3eac41' +C ILE A 1 202 27.87 '#4bb13d' +O ILE A 1 202 26.67 '#42ad40' +CB ILE A 1 202 27.49 '#48b03e' +CG1 ILE A 1 202 32.95 '#73c32f' +CG2 ILE A 1 202 32.40 '#6fc130' +CD1 ILE A 1 202 29.18 '#55b639' +N THR A 1 203 30.53 '#60bb35' +CA THR A 1 203 31.48 '#67be33' +C THR A 1 203 29.90 '#5bb937' +O THR A 1 203 31.12 '#64bd34' +CB THR A 1 203 32.13 '#6cc031' +OG1 THR A 1 203 28.84 '#53b53a' +CG2 THR A 1 203 31.64 '#69bf32' +N VAL A 1 204 32.73 '#71c22f' +CA VAL A 1 204 33.50 '#77c52d' +C VAL A 1 204 33.92 '#7ac72c' +O VAL A 1 204 33.54 '#77c52d' +CB VAL A 1 204 34.79 '#81ca29' +CG1 VAL A 1 204 36.67 '#90d024' +CG2 VAL A 1 204 38.42 '#9ed61f' +N PHE A 1 205 29.88 '#5bb837' +CA PHE A 1 205 31.14 '#65bd34' +C PHE A 1 205 29.86 '#5bb837' +O PHE A 1 205 29.48 '#58b738' +CB PHE A 1 205 31.67 '#69bf32' +CG PHE A 1 205 35.31 '#85cb28' +CD1 PHE A 1 205 36.02 '#8bce26' +CD2 PHE A 1 205 36.08 '#8bce26' +CE1 PHE A 1 205 37.75 '#98d421' +CE2 PHE A 1 205 38.47 '#9ed61f' +CZ PHE A 1 205 35.37 '#86cc28' +N PRO A 1 206 29.61 '#59b838' +CA PRO A 1 206 29.28 '#56b639' +C PRO A 1 206 29.42 '#57b738' +O PRO A 1 206 27.80 '#4ab13d' +CB PRO A 1 206 29.62 '#59b838' +CG PRO A 1 206 27.73 '#4ab13d' +CD PRO A 1 206 29.90 '#5bb937' +N PHE A 1 207 29.65 '#59b838' +CA PHE A 1 207 32.83 '#72c32f' +C PHE A 1 207 32.49 '#6fc230' +O PHE A 1 207 34.41 '#7ec82b' +CB PHE A 1 207 34.34 '#7ec82b' +CG PHE A 1 207 35.91 '#8acd26' +CD1 PHE A 1 207 34.53 '#7fc92a' +CD2 PHE A 1 207 37.37 '#95d322' +CE1 PHE A 1 207 36.34 '#8dcf25' +CE2 PHE A 1 207 37.32 '#95d222' +CZ PHE A 1 207 37.86 '#99d421' +N LEU A 1 208 30.55 '#60bb35' +CA LEU A 1 208 30.56 '#60bb35' +C LEU A 1 208 30.74 '#62bb35' +O LEU A 1 208 28.70 '#52b43a' +CB LEU A 1 208 28.20 '#4eb33c' +CG LEU A 1 208 30.58 '#60bb35' +CD1 LEU A 1 208 28.77 '#52b53a' +CD2 LEU A 1 208 32.18 '#6dc031' +N ILE A 1 209 26.47 '#40ad40' +CA ILE A 1 209 29.07 '#54b639' +C ILE A 1 209 28.75 '#52b53a' +O ILE A 1 209 28.67 '#51b43a' +CB ILE A 1 209 31.75 '#69bf32' +CG1 ILE A 1 209 32.05 '#6cc031' +CG2 ILE A 1 209 32.16 '#6dc031' +CD1 ILE A 1 209 35.76 '#89cd27' +N PRO A 1 210 28.90 '#53b53a' +CA PRO A 1 210 31.26 '#66bd33' +C PRO A 1 210 30.28 '#5eba36' +O PRO A 1 210 30.51 '#60bb35' +CB PRO A 1 210 29.52 '#58b738' +CG PRO A 1 210 30.27 '#5eba36' +CD PRO A 1 210 29.16 '#55b639' +N ILE A 1 211 28.54 '#50b43b' +CA ILE A 1 211 30.00 '#5cb937' +C ILE A 1 211 30.61 '#60bb35' +O ILE A 1 211 31.90 '#6bc031' +CB ILE A 1 211 31.38 '#67be33' +CG1 ILE A 1 211 31.71 '#69bf32' +CG2 ILE A 1 211 34.00 '#7bc72c' +CD1 ILE A 1 211 29.94 '#5bb937' +N LEU A 1 212 27.39 '#47b03e' +CA LEU A 1 212 28.88 '#53b53a' +C LEU A 1 212 29.20 '#55b639' +O LEU A 1 212 28.30 '#4eb33b' +CB LEU A 1 212 31.42 '#67be33' +CG LEU A 1 212 35.16 '#84cb28' +CD1 LEU A 1 212 37.95 '#9ad521' +CD2 LEU A 1 212 35.45 '#86cc28' +N GLU A 1 213 30.46 '#5fbb35' +CA GLU A 1 213 35.29 '#85cb28' +C GLU A 1 213 34.90 '#82ca29' +O GLU A 1 213 34.89 '#82ca29' +CB GLU A 1 213 37.04 '#93d123' +CG GLU A 1 213 42.19 '#bbe315' +CD GLU A 1 213 47.29 '#e3f507' +OE1 GLU A 1 213 48.10 '#eaf805' +OE2 GLU A 1 213 48.07 '#e9f805' +N VAL A 1 214 34.76 '#81c92a' +CA VAL A 1 214 36.15 '#8cce26' +C VAL A 1 214 34.94 '#82ca29' +O VAL A 1 214 37.82 '#99d421' +CB VAL A 1 214 36.09 '#8bce26' +CG1 VAL A 1 214 37.12 '#94d223' +CG2 VAL A 1 214 39.40 '#a5da1d' +N LEU A 1 215 34.41 '#7ec82b' +CA LEU A 1 215 33.57 '#78c52d' +C LEU A 1 215 33.13 '#74c42e' +O LEU A 1 215 32.02 '#6cc031' +CB LEU A 1 215 30.99 '#63bc34' +CG LEU A 1 215 32.18 '#6dc031' +CD1 LEU A 1 215 27.86 '#4bb13d' +CD2 LEU A 1 215 30.75 '#62bc35' +N ASN A 1 216 33.18 '#75c42e' +CA ASN A 1 216 36.69 '#90d024' +C ASN A 1 216 35.25 '#85cb28' +O ASN A 1 216 33.30 '#76c42e' +CB ASN A 1 216 40.99 '#b2df18' +CG ASN A 1 216 45.79 '#d7f00b' +OD1 ASN A 1 216 51.83 '#f8f601' +ND2 ASN A 1 216 48.30 '#ebf904' +N ILE A 1 217 35.04 '#83ca29' +CA ILE A 1 217 35.80 '#89cd27' +C ILE A 1 217 37.50 '#97d322' +O ILE A 1 217 38.96 '#a2d81e' +CB ILE A 1 217 35.88 '#8acd26' +CG1 ILE A 1 217 37.52 '#97d322' +CG2 ILE A 1 217 34.35 '#7ec82b' +CD1 ILE A 1 217 40.40 '#addd1a' +N CYS A 1 218 38.47 '#9ed61f' +CA CYS A 1 218 39.51 '#a6da1c' +C CYS A 1 218 37.80 '#99d421' +O CYS A 1 218 35.61 '#88cc27' +CB CYS A 1 218 41.07 '#b2df18' +SG CYS A 1 218 47.12 '#e2f407' +N VAL A 1 219 35.04 '#83ca29' +CA VAL A 1 219 36.05 '#8bce26' +C VAL A 1 219 35.38 '#86cc28' +O VAL A 1 219 35.69 '#88cd27' +CB VAL A 1 219 32.91 '#73c32f' +CG1 VAL A 1 219 34.94 '#82ca29' +CG2 VAL A 1 219 31.16 '#65bd33' +N PHE A 1 220 36.58 '#8fd025' +CA PHE A 1 220 39.72 '#a8db1c' +C PHE A 1 220 42.50 '#bee414' +O PHE A 1 220 44.05 '#caea10' +CB PHE A 1 220 37.74 '#98d421' +CG PHE A 1 220 36.54 '#8fd025' +CD1 PHE A 1 220 34.65 '#80c92a' +CD2 PHE A 1 220 34.83 '#82ca29' +CE1 PHE A 1 220 34.12 '#7cc72b' +CE2 PHE A 1 220 31.61 '#68bf32' +CZ PHE A 1 220 28.25 '#4eb33c' +N PRO A 1 221 45.37 '#d4ee0c' +CA PRO A 1 221 47.68 '#e6f606' +C PRO A 1 221 49.98 '#f8fe00' +O PRO A 1 221 50.15 '#f8fe00' +CB PRO A 1 221 46.34 '#dcf20a' +CG PRO A 1 221 47.61 '#e6f606' +CD PRO A 1 221 45.71 '#d7f00b' +N ARG A 1 222 52.89 '#f7f101' +CA ARG A 1 222 54.64 '#f6e803' +C ARG A 1 222 54.53 '#f6e903' +O ARG A 1 222 54.36 '#f6ea02' +CB ARG A 1 222 56.94 '#f5dd04' +CG ARG A 1 222 59.52 '#f4d106' +CD ARG A 1 222 63.16 '#f2bf08' +NE ARG A 1 222 67.58 '#efaa0b' +CZ ARG A 1 222 68.67 '#efa50c' +NH1 ARG A 1 222 69.22 '#efa20d' +NH2 ARG A 1 222 68.09 '#efa80c' +N GLU A 1 223 54.65 '#f6e803' +CA GLU A 1 223 56.70 '#f5de04' +C GLU A 1 223 56.77 '#f5de04' +O GLU A 1 223 55.98 '#f5e204' +CB GLU A 1 223 59.30 '#f4d206' +CG GLU A 1 223 62.71 '#f2c108' +CD GLU A 1 223 65.04 '#f1b60a' +OE1 GLU A 1 223 66.91 '#f0ad0b' +OE2 GLU A 1 223 65.86 '#f0b20a' +N VAL A 1 224 56.24 '#f5e104' +CA VAL A 1 224 54.65 '#f6e803' +C VAL A 1 224 54.68 '#f6e803' +O VAL A 1 224 52.08 '#f7f501' +CB VAL A 1 224 55.32 '#f6e503' +CG1 VAL A 1 224 53.17 '#f7ef02' +CG2 VAL A 1 224 55.34 '#f6e503' +N THR A 1 225 55.19 '#f6e603' +CA THR A 1 225 56.80 '#f5de04' +C THR A 1 225 58.53 '#f4d605' +O THR A 1 225 58.42 '#f4d605' +CB THR A 1 225 56.51 '#f5df04' +OG1 THR A 1 225 56.73 '#f5de04' +CG2 THR A 1 225 58.27 '#f4d705' +N ASN A 1 226 59.55 '#f4d106' +CA ASN A 1 226 61.23 '#f3c907' +C ASN A 1 226 61.14 '#f3c907' +O ASN A 1 226 60.79 '#f3cb07' +CB ASN A 1 226 62.58 '#f2c208' +CG ASN A 1 226 63.82 '#f1bc09' +OD1 ASN A 1 226 63.83 '#f1bc09' +ND2 ASN A 1 226 63.16 '#f2bf08' +N PHE A 1 227 61.29 '#f3c807' +CA PHE A 1 227 62.35 '#f2c308' +C PHE A 1 227 62.81 '#f2c108' +O PHE A 1 227 62.45 '#f2c308' +CB PHE A 1 227 62.75 '#f2c108' +CG PHE A 1 227 63.90 '#f1bc09' +CD1 PHE A 1 227 64.87 '#f1b70a' +CD2 PHE A 1 227 64.44 '#f1b909' +CE1 PHE A 1 227 65.47 '#f0b40a' +CE2 PHE A 1 227 64.72 '#f1b80a' +CZ PHE A 1 227 65.62 '#f0b40a' +N LEU A 1 228 62.79 '#f2c108' +CA LEU A 1 228 63.96 '#f1bb09' +C LEU A 1 228 65.59 '#f0b40a' +O LEU A 1 228 65.32 '#f1b50a' +CB LEU A 1 228 63.71 '#f1bd09' +CG LEU A 1 228 62.89 '#f2c108' +CD1 LEU A 1 228 63.46 '#f2be09' +CD2 LEU A 1 228 63.50 '#f1be09' +N ARG A 1 229 66.78 '#f0ae0b' +CA ARG A 1 229 68.12 '#efa80c' +C ARG A 1 229 68.18 '#efa70c' +O ARG A 1 229 67.18 '#f0ac0b' +CB ARG A 1 229 69.32 '#eea20d' +CG ARG A 1 229 72.10 '#ed940f' +CD ARG A 1 229 74.57 '#ec8910' +NE ARG A 1 229 76.27 '#e98111' +CZ ARG A 1 229 76.68 '#e88012' +NH1 ARG A 1 229 76.41 '#e98111' +NH2 ARG A 1 229 76.75 '#e87f12' +N LYS A 1 230 68.57 '#efa50c' +CA LYS A 1 230 69.87 '#ee9f0d' +C LYS A 1 230 70.09 '#ee9e0d' +O LYS A 1 230 70.57 '#ee9c0d' +CB LYS A 1 230 70.05 '#ee9e0d' +CG LYS A 1 230 70.51 '#ee9c0d' +CD LYS A 1 230 70.55 '#ee9c0d' +CE LYS A 1 230 71.14 '#ee990e' +NZ LYS A 1 230 71.57 '#ed970e' +N SER A 1 231 70.04 '#ee9e0d' +CA SER A 1 231 69.83 '#ee9f0d' +C SER A 1 231 69.65 '#eea00d' +O SER A 1 231 69.56 '#eea10d' +CB SER A 1 231 70.03 '#ee9e0d' +OG SER A 1 231 70.64 '#ee9b0e' +N VAL A 1 232 69.79 '#eea00d' +CA VAL A 1 232 70.38 '#ee9d0d' +C VAL A 1 232 71.30 '#ed980e' +O VAL A 1 232 70.75 '#ee9b0e' +CB VAL A 1 232 69.90 '#ee9f0d' +CG1 VAL A 1 232 68.48 '#efa60c' +CG2 VAL A 1 232 69.27 '#eea20d' +N LYS A 1 233 72.49 '#ed930f' +CA LYS A 1 233 73.00 '#ed900f' +C LYS A 1 233 73.79 '#ec8c10' +O LYS A 1 233 73.14 '#ec8f0f' +CB LYS A 1 233 71.92 '#ed950e' +CG LYS A 1 233 70.89 '#ee9a0e' +CD LYS A 1 233 70.71 '#ee9b0e' +CE LYS A 1 233 69.95 '#ee9f0d' +NZ LYS A 1 233 70.04 '#ee9e0d' +N ARG A 1 234 74.70 '#ec8810' +CA ARG A 1 234 76.46 '#e98111' +C ARG A 1 234 76.98 '#e87f12' +O ARG A 1 234 76.70 '#e88012' +CB ARG A 1 234 77.32 '#e77d12' +CG ARG A 1 234 78.73 '#e57713' +CD ARG A 1 234 80.03 '#e27214' +NE ARG A 1 234 82.83 '#dd6716' +CZ ARG A 1 234 83.44 '#dc6416' +NH1 ARG A 1 234 84.19 '#db6117' +NH2 ARG A 1 234 84.52 '#da6017' +N MET A 1 235 77.42 '#e77d12' +CA MET A 1 235 77.88 '#e67b12' +C MET A 1 235 77.97 '#e67b13' +O MET A 1 235 78.06 '#e67a13' +CB MET A 1 235 77.76 '#e77b12' +CG MET A 1 235 78.23 '#e67913' +SD MET A 1 235 78.99 '#e47613' +CE MET A 1 235 77.60 '#e77c12' +N LYS A 1 236 78.48 '#e57813' +CA LYS A 1 236 78.93 '#e47713' +C LYS A 1 236 79.96 '#e37214' +O LYS A 1 236 79.48 '#e37414' +CB LYS A 1 236 78.45 '#e57913' +CG LYS A 1 236 77.91 '#e67b12' +CD LYS A 1 236 76.82 '#e87f12' +CE LYS A 1 236 76.41 '#e98111' +NZ LYS A 1 236 75.42 '#eb8511' +N GLU A 1 237 80.57 '#e17014' +CA GLU A 1 237 82.01 '#df6a15' +C GLU A 1 237 82.95 '#dd6616' +O GLU A 1 237 83.18 '#dd6516' +CB GLU A 1 237 82.49 '#de6816' +CG GLU A 1 237 83.43 '#dc6416' +CD GLU A 1 237 84.28 '#db6117' +OE1 GLU A 1 237 85.16 '#d95d17' +OE2 GLU A 1 237 83.80 '#dc6316' +N SER A 1 238 83.75 '#dc6316' +CA SER A 1 238 83.91 '#db6317' +C SER A 1 238 84.61 '#da6017' +O SER A 1 238 85.15 '#d95d17' +CB SER A 1 238 83.29 '#dd6516' +OG SER A 1 238 82.32 '#de6915' +N ARG A 1 239 84.55 '#da6017' +CA ARG A 1 239 84.17 '#db6117' +C ARG A 1 239 84.32 '#db6117' +O ARG A 1 239 84.25 '#db6117' +CB ARG A 1 239 83.82 '#dc6316' +CG ARG A 1 239 83.27 '#dd6516' +CD ARG A 1 239 82.82 '#dd6716' +NE ARG A 1 239 82.97 '#dd6616' +CZ ARG A 1 239 82.45 '#de6816' +NH1 ARG A 1 239 81.93 '#df6b15' +NH2 ARG A 1 239 81.55 '#e06c15' +N LEU A 1 240 84.12 '#db6217' +CA LEU A 1 240 83.22 '#dd6516' +C LEU A 1 240 82.87 '#dd6716' +O LEU A 1 240 82.44 '#de6816' +CB LEU A 1 240 82.70 '#de6716' +CG LEU A 1 240 81.52 '#e06c15' +CD1 LEU A 1 240 81.05 '#e16e15' +CD2 LEU A 1 240 80.73 '#e16f14' +N GLU A 1 241 82.93 '#dd6616' +CA GLU A 1 241 83.07 '#dd6616' +C GLU A 1 241 83.07 '#dd6616' +O GLU A 1 241 82.73 '#de6716' +CB GLU A 1 241 82.58 '#de6816' +CG GLU A 1 241 82.75 '#de6716' +CD GLU A 1 241 83.44 '#dc6416' +OE1 GLU A 1 241 82.79 '#dd6716' +OE2 GLU A 1 241 83.85 '#dc6317' +N ASP A 1 242 83.34 '#dc6516' +CA ASP A 1 242 83.10 '#dd6616' +C ASP A 1 242 83.41 '#dc6516' +O ASP A 1 242 83.70 '#dc6316' +CB ASP A 1 242 82.31 '#de6915' +CG ASP A 1 242 82.43 '#de6816' +OD1 ASP A 1 242 81.52 '#e06c15' +OD2 ASP A 1 242 82.28 '#de6915' +N THR A 1 243 83.18 '#dd6516' +CA THR A 1 243 83.31 '#dd6516' +C THR A 1 243 83.51 '#dc6416' +O THR A 1 243 83.06 '#dd6616' +CB THR A 1 243 83.47 '#dc6416' +OG1 THR A 1 243 84.32 '#db6117' +CG2 THR A 1 243 82.99 '#dd6616' +N GLN A 1 244 83.86 '#dc6317' +CA GLN A 1 244 84.06 '#db6217' +C GLN A 1 244 84.22 '#db6117' +O GLN A 1 244 83.72 '#dc6316' +CB GLN A 1 244 84.09 '#db6217' +CG GLN A 1 244 83.83 '#dc6317' +CD GLN A 1 244 84.70 '#da5f17' +OE1 GLN A 1 244 84.52 '#da6017' +NE2 GLN A 1 244 84.59 '#da6017' +N LYS A 1 245 84.33 '#db6117' +CA LYS A 1 245 84.17 '#db6117' +C LYS A 1 245 83.84 '#dc6317' +O LYS A 1 245 83.85 '#dc6317' +CB LYS A 1 245 84.12 '#db6217' +CG LYS A 1 245 84.84 '#da5f17' +CD LYS A 1 245 83.98 '#db6217' +CE LYS A 1 245 83.25 '#dd6516' +NZ LYS A 1 245 81.90 '#df6b15' +N HIS A 1 246 83.72 '#dc6316' +CA HIS A 1 246 83.73 '#dc6316' +C HIS A 1 246 83.25 '#dd6516' +O HIS A 1 246 83.00 '#dd6616' +CB HIS A 1 246 84.38 '#db6117' +CG HIS A 1 246 84.83 '#da5f17' +ND1 HIS A 1 246 84.58 '#da6017' +CD2 HIS A 1 246 84.91 '#da5e17' +CE1 HIS A 1 246 84.41 '#db6017' +NE2 HIS A 1 246 84.45 '#da6017' +N ARG A 1 247 82.51 '#de6816' +CA ARG A 1 247 81.49 '#e06c15' +C ARG A 1 247 80.44 '#e27114' +O ARG A 1 247 80.75 '#e16f14' +CB ARG A 1 247 81.48 '#e06c15' +CG ARG A 1 247 81.35 '#e06d15' +CD ARG A 1 247 80.95 '#e16e15' +NE ARG A 1 247 81.01 '#e16e15' +CZ ARG A 1 247 81.13 '#e06e15' +NH1 ARG A 1 247 80.89 '#e16f15' +NH2 ARG A 1 247 81.32 '#e06d15' +N VAL A 1 248 79.41 '#e47513' +CA VAL A 1 248 78.32 '#e67913' +C VAL A 1 248 77.02 '#e87e12' +O VAL A 1 248 77.30 '#e77d12' +CB VAL A 1 248 78.85 '#e57713' +CG1 VAL A 1 248 79.03 '#e47613' +CG2 VAL A 1 248 79.33 '#e47513' +N ASP A 1 249 74.71 '#ec8810' +CA ASP A 1 249 72.12 '#ed940f' +C ASP A 1 249 70.01 '#ee9e0d' +O ASP A 1 249 69.03 '#efa30c' +CB ASP A 1 249 72.15 '#ed940f' +CG ASP A 1 249 73.04 '#ed900f' +OD1 ASP A 1 249 73.06 '#ed900f' +OD2 ASP A 1 249 72.80 '#ed910f' +N PHE A 1 250 68.02 '#efa80c' +CA PHE A 1 250 66.43 '#f0b00b' +C PHE A 1 250 66.12 '#f0b10a' +O PHE A 1 250 65.41 '#f0b50a' +CB PHE A 1 250 65.29 '#f1b50a' +CG PHE A 1 250 63.99 '#f1bb09' +CD1 PHE A 1 250 63.40 '#f2be09' +CD2 PHE A 1 250 63.45 '#f2be09' +CE1 PHE A 1 250 62.90 '#f2c108' +CE2 PHE A 1 250 62.89 '#f2c108' +CZ PHE A 1 250 62.55 '#f2c208' +N LEU A 1 251 66.07 '#f0b10a' +CA LEU A 1 251 66.41 '#f0b00b' +C LEU A 1 251 66.64 '#f0af0b' +O LEU A 1 251 66.37 '#f0b00b' +CB LEU A 1 251 66.10 '#f0b10a' +CG LEU A 1 251 65.93 '#f0b20a' +CD1 LEU A 1 251 64.48 '#f1b909' +CD2 LEU A 1 251 65.41 '#f0b50a' +N GLN A 1 252 67.09 '#f0ac0b' +CA GLN A 1 252 67.05 '#f0ad0b' +C GLN A 1 252 66.98 '#f0ad0b' +O GLN A 1 252 67.24 '#f0ac0b' +CB GLN A 1 252 67.75 '#efa90c' +CG GLN A 1 252 67.86 '#efa90c' +CD GLN A 1 252 68.29 '#efa70c' +OE1 GLN A 1 252 68.48 '#efa60c' +NE2 GLN A 1 252 66.77 '#f0ae0b' +N LEU A 1 253 67.14 '#f0ac0b' +CA LEU A 1 253 67.76 '#efa90c' +C LEU A 1 253 68.86 '#efa40c' +O LEU A 1 253 68.94 '#efa40c' +CB LEU A 1 253 66.99 '#f0ad0b' +CG LEU A 1 253 67.41 '#efab0b' +CD1 LEU A 1 253 66.16 '#f0b10a' +CD2 LEU A 1 253 65.27 '#f1b50a' +N MET A 1 254 68.55 '#efa50c' +CA MET A 1 254 69.37 '#eea20d' +C MET A 1 254 70.12 '#ee9e0d' +O MET A 1 254 69.42 '#eea10d' +CB MET A 1 254 67.94 '#efa80c' +CG MET A 1 254 68.06 '#efa80c' +SD MET A 1 254 65.42 '#f0b40a' +CE MET A 1 254 65.59 '#f0b40a' +N ILE A 1 255 70.86 '#ee9a0e' +CA ILE A 1 255 72.30 '#ed930f' +C ILE A 1 255 73.50 '#ec8e0f' +O ILE A 1 255 73.62 '#ec8d10' +CB ILE A 1 255 71.51 '#ed970e' +CG1 ILE A 1 255 71.41 '#ed980e' +CG2 ILE A 1 255 71.65 '#ed970e' +CD1 ILE A 1 255 71.07 '#ee990e' +N ASP A 1 256 75.51 '#eb8411' +CA ASP A 1 256 77.72 '#e77c12' +C ASP A 1 256 79.08 '#e47613' +O ASP A 1 256 79.72 '#e37314' +CB ASP A 1 256 77.75 '#e77b12' +CG ASP A 1 256 78.35 '#e57913' +OD1 ASP A 1 256 78.38 '#e57913' +OD2 ASP A 1 256 77.94 '#e67b12' +N SER A 1 257 80.35 '#e27114' +CA SER A 1 257 81.36 '#e06d15' +C SER A 1 257 82.17 '#df6a15' +O SER A 1 257 82.56 '#de6816' +CB SER A 1 257 81.63 '#e06c15' +OG SER A 1 257 80.95 '#e16e15' +N GLN A 1 258 82.47 '#de6816' +CA GLN A 1 258 83.44 '#dc6416' +C GLN A 1 258 84.75 '#da5f17' +O GLN A 1 258 84.55 '#da6017' +CB GLN A 1 258 82.15 '#df6a15' +CG GLN A 1 258 80.14 '#e27214' +CD GLN A 1 258 78.86 '#e57713' +OE1 GLN A 1 258 79.01 '#e47613' +NE2 GLN A 1 258 78.32 '#e67913' +N ASN A 1 259 85.96 '#d85a18' +CA ASN A 1 259 86.85 '#d65719' +C ASN A 1 259 87.16 '#d65519' +O ASN A 1 259 87.32 '#d55519' +CB ASN A 1 259 86.99 '#d65619' +CG ASN A 1 259 86.90 '#d65619' +OD1 ASN A 1 259 86.54 '#d75818' +ND2 ASN A 1 259 86.68 '#d65718' +N SER A 1 260 87.60 '#d55419' +CA SER A 1 260 87.65 '#d55319' +C SER A 1 260 87.31 '#d55519' +O SER A 1 260 87.21 '#d65519' +CB SER A 1 260 88.24 '#d4511a' +OG SER A 1 260 88.57 '#d3501a' +N SER A 1 265 79.01 '#e47613' +CA SER A 1 265 79.10 '#e47613' +C SER A 1 265 79.69 '#e37414' +O SER A 1 265 80.15 '#e27214' +CB SER A 1 265 77.94 '#e67b12' +OG SER A 1 265 77.32 '#e77d12' +N HIS A 1 266 79.62 '#e37414' +CA HIS A 1 266 79.22 '#e47513' +C HIS A 1 266 79.13 '#e47613' +O HIS A 1 266 79.77 '#e37314' +CB HIS A 1 266 78.76 '#e57713' +CG HIS A 1 266 78.01 '#e67a13' +ND1 HIS A 1 266 77.47 '#e77d12' +CD2 HIS A 1 266 77.45 '#e77d12' +CE1 HIS A 1 266 77.39 '#e77d12' +NE2 HIS A 1 266 77.09 '#e87e12' +N LYS A 1 267 78.27 '#e67913' +CA LYS A 1 267 77.57 '#e77c12' +C LYS A 1 267 76.46 '#e98111' +O LYS A 1 267 75.78 '#ea8311' +CB LYS A 1 267 78.34 '#e57913' +CG LYS A 1 267 78.89 '#e47713' +CD LYS A 1 267 79.11 '#e47613' +CE LYS A 1 267 79.00 '#e47613' +NZ LYS A 1 267 78.80 '#e57713' +N ALA A 1 268 75.45 '#eb8511' +CA ALA A 1 268 74.84 '#ec8710' +C ALA A 1 268 74.52 '#ec8910' +O ALA A 1 268 74.09 '#ec8b10' +CB ALA A 1 268 75.40 '#eb8511' +N LEU A 1 269 73.57 '#ec8d10' +CA LEU A 1 269 73.54 '#ec8e10' +C LEU A 1 269 73.33 '#ec8f0f' +O LEU A 1 269 73.90 '#ec8c10' +CB LEU A 1 269 73.07 '#ed900f' +CG LEU A 1 269 72.75 '#ed910f' +CD1 LEU A 1 269 72.61 '#ed920f' +CD2 LEU A 1 269 72.45 '#ed930f' +N SER A 1 270 72.72 '#ed910f' +CA SER A 1 270 71.56 '#ed970e' +C SER A 1 270 70.42 '#ee9c0d' +O SER A 1 270 70.06 '#ee9e0d' +CB SER A 1 270 71.22 '#ed990e' +OG SER A 1 270 71.93 '#ed950e' +N ASP A 1 271 70.00 '#ee9f0d' +CA ASP A 1 271 69.49 '#eea10d' +C ASP A 1 271 67.98 '#efa80c' +O ASP A 1 271 66.91 '#f0ad0b' +CB ASP A 1 271 71.10 '#ee990e' +CG ASP A 1 271 73.09 '#ec900f' +OD1 ASP A 1 271 74.13 '#ec8b10' +OD2 ASP A 1 271 72.20 '#ed940f' +N LEU A 1 272 66.26 '#f0b00b' +CA LEU A 1 272 64.97 '#f1b70a' +C LEU A 1 272 63.09 '#f2c008' +O LEU A 1 272 63.20 '#f2bf08' +CB LEU A 1 272 64.52 '#f1b909' +CG LEU A 1 272 64.02 '#f1bb09' +CD1 LEU A 1 272 63.71 '#f1bd09' +CD2 LEU A 1 272 64.84 '#f1b70a' +N GLU A 1 273 60.99 '#f3ca07' +CA GLU A 1 273 59.60 '#f4d006' +C GLU A 1 273 58.70 '#f4d505' +O GLU A 1 273 57.45 '#f5db05' +CB GLU A 1 273 59.30 '#f4d206' +CG GLU A 1 273 61.34 '#f3c807' +CD GLU A 1 273 62.66 '#f2c208' +OE1 GLU A 1 273 63.83 '#f1bc09' +OE2 GLU A 1 273 62.94 '#f2c008' +N LEU A 1 274 57.40 '#f5db05' +CA LEU A 1 274 54.82 '#f6e703' +C LEU A 1 274 53.74 '#f7ed02' +O LEU A 1 274 54.10 '#f6eb02' +CB LEU A 1 274 54.54 '#f6e903' +CG LEU A 1 274 54.12 '#f6eb02' +CD1 LEU A 1 274 55.37 '#f6e503' +CD2 LEU A 1 274 52.11 '#f7f401' +N VAL A 1 275 51.31 '#f8f800' +CA VAL A 1 275 50.44 '#f8fc00' +C VAL A 1 275 49.61 '#f5fd01' +O VAL A 1 275 49.24 '#f3fc02' +CB VAL A 1 275 51.32 '#f8f800' +CG1 VAL A 1 275 50.81 '#f8fb00' +CG2 VAL A 1 275 50.66 '#f8fb00' +N ALA A 1 276 48.23 '#ebf804' +CA ALA A 1 276 46.98 '#e1f408' +C ALA A 1 276 46.29 '#dbf20a' +O ALA A 1 276 43.45 '#c5e812' +CB ALA A 1 276 47.12 '#e2f407' +N GLN A 1 277 45.89 '#d8f00b' +CA GLN A 1 277 47.24 '#e3f507' +C GLN A 1 277 47.66 '#e6f606' +O GLN A 1 277 47.86 '#e8f705' +CB GLN A 1 277 48.41 '#ecf904' +CG GLN A 1 277 49.11 '#f2fb02' +CD GLN A 1 277 50.44 '#f8fc00' +OE1 GLN A 1 277 49.90 '#f8fe00' +NE2 GLN A 1 277 49.09 '#f1fb02' +N SER A 1 278 47.21 '#e3f507' +CA SER A 1 278 44.67 '#cfec0e' +C SER A 1 278 44.53 '#ceeb0f' +O SER A 1 278 43.43 '#c5e812' +CB SER A 1 278 46.40 '#dcf209' +OG SER A 1 278 46.22 '#dbf10a' +N ILE A 1 279 41.81 '#b8e216' +CA ILE A 1 279 40.04 '#aadc1b' +C ILE A 1 279 38.05 '#9bd520' +O ILE A 1 279 37.70 '#98d421' +CB ILE A 1 279 41.01 '#b2df18' +CG1 ILE A 1 279 43.98 '#c9ea10' +CG2 ILE A 1 279 40.01 '#aadc1b' +CD1 ILE A 1 279 44.40 '#cdeb0f' +N ILE A 1 280 35.93 '#8ace26' +CA ILE A 1 280 36.40 '#8ecf25' +C ILE A 1 280 36.48 '#8fcf25' +O ILE A 1 280 35.26 '#85cb28' +CB ILE A 1 280 32.57 '#70c230' +CG1 ILE A 1 280 33.83 '#7ac62c' +CG2 ILE A 1 280 37.15 '#94d223' +CD1 ILE A 1 280 34.30 '#7dc82b' +N PHE A 1 281 37.87 '#99d421' +CA PHE A 1 281 37.91 '#9ad421' +C PHE A 1 281 36.70 '#90d024' +O PHE A 1 281 36.70 '#90d024' +CB PHE A 1 281 37.75 '#98d421' +CG PHE A 1 281 38.82 '#a1d81e' +CD1 PHE A 1 281 38.59 '#9fd71f' +CD2 PHE A 1 281 40.33 '#addd1a' +CE1 PHE A 1 281 40.57 '#afde1a' +CE2 PHE A 1 281 40.71 '#b0de19' +CZ PHE A 1 281 41.04 '#b2df18' +N ILE A 1 282 37.69 '#98d421' +CA ILE A 1 282 36.21 '#8ccf26' +C ILE A 1 282 37.17 '#94d223' +O ILE A 1 282 36.87 '#92d124' +CB ILE A 1 282 37.85 '#99d421' +CG1 ILE A 1 282 38.83 '#a1d81e' +CG2 ILE A 1 282 35.14 '#84cb29' +CD1 ILE A 1 282 41.37 '#b5e017' +N PHE A 1 283 35.64 '#88cd27' +CA PHE A 1 283 35.99 '#8bce26' +C PHE A 1 283 34.27 '#7dc82b' +O PHE A 1 283 33.01 '#73c32e' +CB PHE A 1 283 37.38 '#96d322' +CG PHE A 1 283 38.32 '#9dd620' +CD1 PHE A 1 283 40.05 '#aadc1b' +CD2 PHE A 1 283 39.66 '#a7db1c' +CE1 PHE A 1 283 43.02 '#c2e613' +CE2 PHE A 1 283 42.30 '#bce415' +CZ PHE A 1 283 43.23 '#c3e712' +N ALA A 1 284 34.36 '#7ec82b' +CA ALA A 1 284 36.33 '#8dcf25' +C ALA A 1 284 36.61 '#90d024' +O ALA A 1 284 38.49 '#9ed61f' +CB ALA A 1 284 35.25 '#85cb28' +N GLY A 1 285 36.38 '#8ecf25' +CA GLY A 1 285 36.35 '#8dcf25' +C GLY A 1 285 34.92 '#82ca29' +O GLY A 1 285 35.64 '#88cd27' +N TYR A 1 286 35.97 '#8bce26' +CA TYR A 1 286 35.58 '#87cc27' +C TYR A 1 286 35.80 '#89cd27' +O TYR A 1 286 36.10 '#8cce26' +CB TYR A 1 286 36.78 '#91d024' +CG TYR A 1 286 36.25 '#8dcf25' +CD1 TYR A 1 286 37.61 '#97d322' +CD2 TYR A 1 286 37.87 '#99d421' +CE1 TYR A 1 286 38.13 '#9bd520' +CE2 TYR A 1 286 35.39 '#86cc28' +CZ TYR A 1 286 37.37 '#95d322' +OH TYR A 1 286 38.98 '#a2d81e' +N GLU A 1 287 35.67 '#88cd27' +CA GLU A 1 287 34.60 '#80c92a' +C GLU A 1 287 33.45 '#77c52d' +O GLU A 1 287 32.83 '#72c32f' +CB GLU A 1 287 41.00 '#b2df18' +CG GLU A 1 287 45.36 '#d4ee0c' +CD GLU A 1 287 51.62 '#f8f701' +OE1 GLU A 1 287 49.66 '#f6fd00' +OE2 GLU A 1 287 51.38 '#f8f800' +N THR A 1 288 31.03 '#64bc34' +CA THR A 1 288 31.18 '#65bd33' +C THR A 1 288 31.93 '#6bc031' +O THR A 1 288 31.51 '#68be33' +CB THR A 1 288 30.83 '#62bc34' +OG1 THR A 1 288 30.40 '#5fba36' +CG2 THR A 1 288 32.32 '#6ec130' +N THR A 1 289 32.52 '#6fc230' +CA THR A 1 289 33.51 '#77c52d' +C THR A 1 289 32.81 '#72c32f' +O THR A 1 289 31.99 '#6bc031' +CB THR A 1 289 32.94 '#73c32f' +OG1 THR A 1 289 32.63 '#70c22f' +CG2 THR A 1 289 33.76 '#79c62c' +N SER A 1 290 32.43 '#6fc130' +CA SER A 1 290 32.49 '#6fc230' +C SER A 1 290 31.67 '#69bf32' +O SER A 1 290 32.73 '#71c22f' +CB SER A 1 290 35.24 '#85cb28' +OG SER A 1 290 39.90 '#a9db1b' +N SER A 1 291 27.98 '#4cb23c' +CA SER A 1 291 30.42 '#5fba36' +C SER A 1 291 28.71 '#52b43a' +O SER A 1 291 27.47 '#48b03e' +CB SER A 1 291 31.03 '#64bc34' +OG SER A 1 291 42.04 '#bae315' +N VAL A 1 292 29.29 '#56b639' +CA VAL A 1 292 29.63 '#59b838' +C VAL A 1 292 32.65 '#70c22f' +O VAL A 1 292 33.71 '#79c62c' +CB VAL A 1 292 28.80 '#52b53a' +CG1 VAL A 1 292 28.91 '#53b53a' +CG2 VAL A 1 292 23.77 '#34a44c' +N LEU A 1 293 32.26 '#6dc130' +CA LEU A 1 293 34.69 '#80c92a' +C LEU A 1 293 33.60 '#78c52d' +O LEU A 1 293 33.07 '#74c42e' +CB LEU A 1 293 33.45 '#77c52d' +CG LEU A 1 293 37.44 '#96d322' +CD1 LEU A 1 293 35.66 '#88cd27' +CD2 LEU A 1 293 37.27 '#95d223' +N SER A 1 294 32.45 '#6fc130' +CA SER A 1 294 33.13 '#74c42e' +C SER A 1 294 33.30 '#76c42e' +O SER A 1 294 32.01 '#6bc031' +CB SER A 1 294 34.48 '#7fc82a' +OG SER A 1 294 41.43 '#b5e117' +N PHE A 1 295 30.26 '#5eba36' +CA PHE A 1 295 32.03 '#6cc031' +C PHE A 1 295 31.19 '#65bd33' +O PHE A 1 295 32.32 '#6ec130' +CB PHE A 1 295 28.93 '#53b53a' +CG PHE A 1 295 31.43 '#67be33' +CD1 PHE A 1 295 31.03 '#64bc34' +CD2 PHE A 1 295 30.37 '#5fba36' +CE1 PHE A 1 295 33.22 '#75c42e' +CE2 PHE A 1 295 33.93 '#7bc72c' +CZ PHE A 1 295 30.05 '#5cb937' +N ILE A 1 296 31.68 '#69bf32' +CA ILE A 1 296 32.13 '#6cc031' +C ILE A 1 296 35.11 '#84cb29' +O ILE A 1 296 36.51 '#8fd025' +CB ILE A 1 296 29.62 '#59b838' +CG1 ILE A 1 296 26.51 '#40ad40' +CG2 ILE A 1 296 30.54 '#60bb35' +CD1 ILE A 1 296 27.17 '#46af3f' +N MET A 1 297 34.68 '#80c92a' +CA MET A 1 297 37.60 '#97d322' +C MET A 1 297 36.76 '#91d024' +O MET A 1 297 36.75 '#91d024' +CB MET A 1 297 37.23 '#94d223' +CG MET A 1 297 39.83 '#a9db1c' +SD MET A 1 297 47.07 '#e2f408' +CE MET A 1 297 34.10 '#7cc72b' +N TYR A 1 298 35.69 '#88cd27' +CA TYR A 1 298 35.96 '#8ace26' +C TYR A 1 298 36.34 '#8dcf25' +O TYR A 1 298 33.25 '#75c42e' +CB TYR A 1 298 33.32 '#76c42e' +CG TYR A 1 298 37.21 '#94d223' +CD1 TYR A 1 298 38.72 '#a0d71f' +CD2 TYR A 1 298 37.32 '#95d222' +CE1 TYR A 1 298 40.51 '#aedd1a' +CE2 TYR A 1 298 37.66 '#98d422' +CZ TYR A 1 298 39.90 '#a9db1b' +OH TYR A 1 298 43.57 '#c6e811' +N GLU A 1 299 35.99 '#8bce26' +CA GLU A 1 299 37.79 '#99d421' +C GLU A 1 299 37.39 '#96d322' +O GLU A 1 299 38.17 '#9cd520' +CB GLU A 1 299 37.46 '#96d322' +CG GLU A 1 299 39.96 '#aadc1b' +CD GLU A 1 299 44.35 '#cceb0f' +OE1 GLU A 1 299 45.89 '#d8f00b' +OE2 GLU A 1 299 43.90 '#c9e910' +N LEU A 1 300 37.79 '#99d421' +CA LEU A 1 300 38.81 '#a1d81e' +C LEU A 1 300 41.41 '#b5e117' +O LEU A 1 300 40.71 '#b0de19' +CB LEU A 1 300 37.48 '#96d322' +CG LEU A 1 300 34.10 '#7cc72b' +CD1 LEU A 1 300 33.09 '#74c42e' +CD2 LEU A 1 300 37.69 '#98d421' +N ALA A 1 301 41.65 '#b7e117' +CA ALA A 1 301 41.77 '#b8e216' +C ALA A 1 301 41.74 '#b8e216' +O ALA A 1 301 42.27 '#bce415' +CB ALA A 1 301 41.55 '#b6e117' +N THR A 1 302 39.96 '#aadc1b' +CA THR A 1 302 39.95 '#aadc1b' +C THR A 1 302 40.00 '#aadc1b' +O THR A 1 302 39.12 '#a3d91e' +CB THR A 1 302 41.33 '#b5e017' +OG1 THR A 1 302 43.77 '#c8e911' +CG2 THR A 1 302 41.36 '#b5e017' +N HIS A 1 303 38.40 '#9ed620' +CA HIS A 1 303 38.78 '#a1d71e' +C HIS A 1 303 36.22 '#8ccf26' +O HIS A 1 303 36.01 '#8bce26' +CB HIS A 1 303 40.32 '#addd1a' +CG HIS A 1 303 43.55 '#c6e811' +ND1 HIS A 1 303 44.60 '#ceec0e' +CD2 HIS A 1 303 45.52 '#d5ef0c' +CE1 HIS A 1 303 44.73 '#cfec0e' +NE2 HIS A 1 303 45.92 '#d9f00b' +N PRO A 1 304 37.36 '#95d322' +CA PRO A 1 304 39.69 '#a8db1c' +C PRO A 1 304 39.79 '#a8db1c' +O PRO A 1 304 40.12 '#abdc1b' +CB PRO A 1 304 41.10 '#b3e018' +CG PRO A 1 304 39.62 '#a7da1c' +CD PRO A 1 304 39.01 '#a2d81e' +N ASP A 1 305 40.38 '#addd1a' +CA ASP A 1 305 40.53 '#aede1a' +C ASP A 1 305 36.78 '#91d024' +O ASP A 1 305 36.32 '#8dcf25' +CB ASP A 1 305 44.00 '#c9ea10' +CG ASP A 1 305 48.01 '#e9f805' +OD1 ASP A 1 305 50.50 '#f8fc00' +OD2 ASP A 1 305 49.27 '#f3fc02' +N VAL A 1 306 35.12 '#84cb29' +CA VAL A 1 306 33.62 '#78c52d' +C VAL A 1 306 32.06 '#6cc031' +O VAL A 1 306 31.60 '#68be32' +CB VAL A 1 306 33.22 '#75c42e' +CG1 VAL A 1 306 30.23 '#5eba36' +CG2 VAL A 1 306 34.68 '#80c92a' +N GLN A 1 307 34.14 '#7cc72b' +CA GLN A 1 307 34.94 '#82ca29' +C GLN A 1 307 35.55 '#87cc27' +O GLN A 1 307 33.97 '#7bc72c' +CB GLN A 1 307 33.58 '#78c52d' +CG GLN A 1 307 36.50 '#8fd025' +CD GLN A 1 307 35.91 '#8acd26' +OE1 GLN A 1 307 39.58 '#a7da1c' +NE2 GLN A 1 307 36.20 '#8cce26' +N GLN A 1 308 37.52 '#97d322' +CA GLN A 1 308 36.64 '#90d024' +C GLN A 1 308 36.89 '#92d124' +O GLN A 1 308 36.39 '#8ecf25' +CB GLN A 1 308 39.18 '#a4d91d' +CG GLN A 1 308 39.67 '#a8db1c' +CD GLN A 1 308 41.01 '#b2df18' +OE1 GLN A 1 308 39.31 '#a5d91d' +NE2 GLN A 1 308 40.78 '#b0de19' +N LYS A 1 309 38.61 '#9fd71f' +CA LYS A 1 309 36.89 '#92d124' +C LYS A 1 309 36.99 '#93d123' +O LYS A 1 309 35.67 '#88cd27' +CB LYS A 1 309 40.34 '#addd1a' +CG LYS A 1 309 41.93 '#b9e216' +CD LYS A 1 309 45.14 '#d2ee0d' +CE LYS A 1 309 45.83 '#d8f00b' +NZ LYS A 1 309 47.63 '#e6f606' +N LEU A 1 310 36.08 '#8bce26' +CA LEU A 1 310 32.48 '#6fc230' +C LEU A 1 310 30.41 '#5fba36' +O LEU A 1 310 30.29 '#5eba36' +CB LEU A 1 310 31.71 '#69bf32' +CG LEU A 1 310 33.73 '#79c62c' +CD1 LEU A 1 310 31.87 '#6abf32' +CD2 LEU A 1 310 31.19 '#65bd33' +N GLN A 1 311 32.66 '#71c22f' +CA GLN A 1 311 37.08 '#93d223' +C GLN A 1 311 38.01 '#9ad521' +O GLN A 1 311 39.36 '#a5d91d' +CB GLN A 1 311 37.15 '#94d223' +CG GLN A 1 311 37.01 '#93d123' +CD GLN A 1 311 39.46 '#a6da1d' +OE1 GLN A 1 311 39.01 '#a2d81e' +NE2 GLN A 1 311 37.79 '#99d421' +N GLU A 1 312 38.38 '#9dd620' +CA GLU A 1 312 40.27 '#acdd1a' +C GLU A 1 312 41.44 '#b5e117' +O GLU A 1 312 43.28 '#c4e712' +CB GLU A 1 312 41.83 '#b8e216' +CG GLU A 1 312 44.90 '#d1ed0e' +CD GLU A 1 312 48.95 '#f0fb02' +OE1 GLU A 1 312 50.67 '#f8fb00' +OE2 GLU A 1 312 51.59 '#f8f701' +N GLU A 1 313 41.09 '#b3df18' +CA GLU A 1 313 40.88 '#b1df19' +C GLU A 1 313 41.55 '#b6e117' +O GLU A 1 313 42.54 '#bee514' +CB GLU A 1 313 40.30 '#acdd1a' +CG GLU A 1 313 41.56 '#b6e117' +CD GLU A 1 313 44.74 '#cfec0e' +OE1 GLU A 1 313 45.50 '#d5ef0c' +OE2 GLU A 1 313 42.74 '#c0e514' +N ILE A 1 314 42.59 '#bee514' +CA ILE A 1 314 42.38 '#bde415' +C ILE A 1 314 42.43 '#bde414' +O ILE A 1 314 40.19 '#acdc1b' +CB ILE A 1 314 40.56 '#aede1a' +CG1 ILE A 1 314 42.03 '#bae315' +CG2 ILE A 1 314 42.33 '#bce415' +CD1 ILE A 1 314 39.82 '#a9db1c' +N ASP A 1 315 43.42 '#c5e812' +CA ASP A 1 315 47.05 '#e1f408' +C ASP A 1 315 48.33 '#ebf904' +O ASP A 1 315 50.60 '#f8fc00' +CB ASP A 1 315 46.62 '#def309' +CG ASP A 1 315 48.90 '#f0fb03' +OD1 ASP A 1 315 50.59 '#f8fc00' +OD2 ASP A 1 315 51.31 '#f8f800' +N ALA A 1 316 50.10 '#f8fe00' +CA ALA A 1 316 51.59 '#f8f701' +C ALA A 1 316 52.18 '#f7f401' +O ALA A 1 316 53.24 '#f7ef02' +CB ALA A 1 316 49.88 '#f8fe00' +N VAL A 1 317 51.14 '#f8f900' +CA VAL A 1 317 50.05 '#f8fe00' +C VAL A 1 317 51.05 '#f8f900' +O VAL A 1 317 47.90 '#e8f705' +CB VAL A 1 317 50.05 '#f8fe00' +CG1 VAL A 1 317 49.47 '#f4fd01' +CG2 VAL A 1 317 48.86 '#f0fb03' +N LEU A 1 318 51.57 '#f8f701' +CA LEU A 1 318 54.98 '#f6e703' +C LEU A 1 318 56.81 '#f5de04' +O LEU A 1 318 57.62 '#f5da05' +CB LEU A 1 318 55.34 '#f6e503' +CG LEU A 1 318 56.07 '#f5e104' +CD1 LEU A 1 318 56.90 '#f5dd04' +CD2 LEU A 1 318 57.27 '#f5dc04' +N PRO A 1 319 58.99 '#f4d306' +CA PRO A 1 319 59.83 '#f3cf06' +C PRO A 1 319 60.83 '#f3cb07' +O PRO A 1 319 61.75 '#f2c607' +CB PRO A 1 319 60.09 '#f3ce06' +CG PRO A 1 319 60.54 '#f3cc07' +CD PRO A 1 319 59.25 '#f4d206' +N ASN A 1 320 61.37 '#f3c807' +CA ASN A 1 320 61.66 '#f2c707' +C ASN A 1 320 60.68 '#f3cb07' +O ASN A 1 320 60.81 '#f3cb07' +CB ASN A 1 320 63.81 '#f1bc09' +CG ASN A 1 320 66.56 '#f0af0b' +OD1 ASN A 1 320 67.36 '#efab0b' +ND2 ASN A 1 320 67.74 '#efa90c' +N LYS A 1 321 59.13 '#f4d306' +CA LYS A 1 321 55.88 '#f5e203' +C LYS A 1 321 54.70 '#f6e803' +O LYS A 1 321 54.27 '#f6ea02' +CB LYS A 1 321 53.96 '#f6eb02' +CG LYS A 1 321 52.72 '#f7f101' +CD LYS A 1 321 53.73 '#f7ed02' +CE LYS A 1 321 54.57 '#f6e903' +NZ LYS A 1 321 56.27 '#f5e004' +N ALA A 1 322 54.24 '#f6ea02' +CA ALA A 1 322 55.17 '#f6e603' +C ALA A 1 322 57.23 '#f5dc04' +O ALA A 1 322 56.94 '#f5dd04' +CB ALA A 1 322 54.94 '#f6e703' +N PRO A 1 323 57.52 '#f5da05' +CA PRO A 1 323 58.16 '#f4d705' +C PRO A 1 323 57.57 '#f5da05' +O PRO A 1 323 57.11 '#f5dc04' +CB PRO A 1 323 58.96 '#f4d306' +CG PRO A 1 323 59.44 '#f4d106' +CD PRO A 1 323 58.30 '#f4d705' +N PRO A 1 324 56.99 '#f5dd04' +CA PRO A 1 324 56.09 '#f5e104' +C PRO A 1 324 55.91 '#f5e204' +O PRO A 1 324 54.84 '#f6e703' +CB PRO A 1 324 55.28 '#f6e503' +CG PRO A 1 324 57.17 '#f5dc04' +CD PRO A 1 324 57.17 '#f5dc04' +N THR A 1 325 56.40 '#f5e004' +CA THR A 1 325 57.32 '#f5db04' +C THR A 1 325 57.45 '#f5db05' +O THR A 1 325 57.18 '#f5dc04' +CB THR A 1 325 58.08 '#f4d805' +OG1 THR A 1 325 59.30 '#f4d206' +CG2 THR A 1 325 58.54 '#f4d605' +N TYR A 1 326 58.77 '#f4d405' +CA TYR A 1 326 59.53 '#f4d106' +C TYR A 1 326 60.46 '#f3cc07' +O TYR A 1 326 61.70 '#f2c607' +CB TYR A 1 326 58.66 '#f4d505' +CG TYR A 1 326 58.85 '#f4d406' +CD1 TYR A 1 326 59.58 '#f4d106' +CD2 TYR A 1 326 59.08 '#f4d306' +CE1 TYR A 1 326 59.58 '#f4d106' +CE2 TYR A 1 326 59.34 '#f4d206' +CZ TYR A 1 326 59.40 '#f4d106' +OH TYR A 1 326 58.52 '#f4d605' +N ASP A 1 327 61.82 '#f2c608' +CA ASP A 1 327 62.60 '#f2c208' +C ASP A 1 327 61.91 '#f2c508' +O ASP A 1 327 61.53 '#f3c707' +CB ASP A 1 327 65.03 '#f1b60a' +CG ASP A 1 327 68.03 '#efa80c' +OD1 ASP A 1 327 69.48 '#eea10d' +OD2 ASP A 1 327 67.82 '#efa90c' +N THR A 1 328 60.61 '#f3cc07' +CA THR A 1 328 59.89 '#f3cf06' +C THR A 1 328 58.92 '#f4d406' +O THR A 1 328 58.11 '#f4d805' +CB THR A 1 328 59.76 '#f3d006' +OG1 THR A 1 328 64.51 '#f1b909' +CG2 THR A 1 328 59.58 '#f4d106' +N VAL A 1 329 57.93 '#f4d805' +CA VAL A 1 329 56.10 '#f5e104' +C VAL A 1 329 56.24 '#f5e104' +O VAL A 1 329 54.31 '#f6ea02' +CB VAL A 1 329 55.75 '#f6e303' +CG1 VAL A 1 329 53.96 '#f6eb02' +CG2 VAL A 1 329 52.89 '#f7f101' +N LEU A 1 330 56.59 '#f5df04' +CA LEU A 1 330 58.30 '#f4d705' +C LEU A 1 330 57.73 '#f4d905' +O LEU A 1 330 58.93 '#f4d406' +CB LEU A 1 330 59.44 '#f4d106' +CG LEU A 1 330 61.54 '#f2c707' +CD1 LEU A 1 330 60.44 '#f3cc07' +CD2 LEU A 1 330 61.16 '#f3c907' +N GLN A 1 331 56.14 '#f5e104' +CA GLN A 1 331 55.53 '#f6e403' +C GLN A 1 331 53.30 '#f7ef02' +O GLN A 1 331 54.44 '#f6e903' +CB GLN A 1 331 56.69 '#f5de04' +CG GLN A 1 331 60.59 '#f3cc07' +CD GLN A 1 331 61.50 '#f3c707' +OE1 GLN A 1 331 61.94 '#f2c508' +NE2 GLN A 1 331 61.56 '#f2c707' +N MET A 1 332 49.67 '#f6fd00' +CA MET A 1 332 48.17 '#eaf805' +C MET A 1 332 47.74 '#e7f706' +O MET A 1 332 44.98 '#d1ed0d' +CB MET A 1 332 48.41 '#ecf904' +CG MET A 1 332 51.28 '#f8f800' +SD MET A 1 332 51.46 '#f8f700' +CE MET A 1 332 53.93 '#f6ec02' +N GLU A 1 333 44.62 '#ceec0e' +CA GLU A 1 333 44.29 '#cceb0f' +C GLU A 1 333 41.35 '#b5e017' +O GLU A 1 333 41.78 '#b8e216' +CB GLU A 1 333 48.82 '#effa03' +CG GLU A 1 333 55.81 '#f5e303' +CD GLU A 1 333 59.87 '#f3cf06' +OE1 GLU A 1 333 62.42 '#f2c308' +OE2 GLU A 1 333 61.59 '#f2c707' +N TYR A 1 334 36.10 '#8cce26' +CA TYR A 1 334 35.12 '#84cb29' +C TYR A 1 334 35.05 '#83ca29' +O TYR A 1 334 33.19 '#75c42e' +CB TYR A 1 334 29.49 '#58b738' +CG TYR A 1 334 28.69 '#51b43a' +CD1 TYR A 1 334 29.19 '#55b639' +CD2 TYR A 1 334 24.78 '#34a746' +CE1 TYR A 1 334 30.90 '#63bc34' +CE2 TYR A 1 334 28.56 '#50b43b' +CZ TYR A 1 334 29.22 '#56b639' +OH TYR A 1 334 32.57 '#70c230' +N LEU A 1 335 35.24 '#85cb28' +CA LEU A 1 335 37.87 '#99d421' +C LEU A 1 335 37.14 '#94d223' +O LEU A 1 335 37.55 '#97d322' +CB LEU A 1 335 36.30 '#8dcf25' +CG LEU A 1 335 37.37 '#95d322' +CD1 LEU A 1 335 35.72 '#89cd27' +CD2 LEU A 1 335 36.22 '#8ccf26' +N ASP A 1 336 38.61 '#9fd71f' +CA ASP A 1 336 39.52 '#a6da1c' +C ASP A 1 336 39.98 '#aadc1b' +O ASP A 1 336 38.61 '#9fd71f' +CB ASP A 1 336 41.59 '#b7e117' +CG ASP A 1 336 44.95 '#d1ed0d' +OD1 ASP A 1 336 47.43 '#e4f607' +OD2 ASP A 1 336 47.94 '#e8f705' +N MET A 1 337 37.96 '#9ad521' +CA MET A 1 337 36.59 '#8fd025' +C MET A 1 337 36.26 '#8dcf25' +O MET A 1 337 33.78 '#79c62c' +CB MET A 1 337 38.83 '#a1d81e' +CG MET A 1 337 38.88 '#a1d81e' +SD MET A 1 337 38.94 '#a2d81e' +CE MET A 1 337 34.20 '#7dc82b' +N VAL A 1 338 34.82 '#81ca29' +CA VAL A 1 338 35.23 '#85cb28' +C VAL A 1 338 33.43 '#77c52d' +O VAL A 1 338 30.37 '#5fba36' +CB VAL A 1 338 34.51 '#7fc92a' +CG1 VAL A 1 338 31.83 '#6abf32' +CG2 VAL A 1 338 36.44 '#8ecf25' +N VAL A 1 339 32.61 '#70c22f' +CA VAL A 1 339 32.66 '#71c22f' +C VAL A 1 339 33.18 '#75c42e' +O VAL A 1 339 29.25 '#56b639' +CB VAL A 1 339 29.67 '#59b838' +CG1 VAL A 1 339 32.93 '#73c32f' +CG2 VAL A 1 339 28.49 '#50b43b' +N ASN A 1 340 31.99 '#6bc031' +CA ASN A 1 340 33.36 '#76c52d' +C ASN A 1 340 32.26 '#6dc130' +O ASN A 1 340 32.33 '#6ec130' +CB ASN A 1 340 34.69 '#80c92a' +CG ASN A 1 340 37.50 '#97d322' +OD1 ASN A 1 340 34.21 '#7dc82b' +ND2 ASN A 1 340 35.99 '#8bce26' +N GLU A 1 341 32.76 '#71c32f' +CA GLU A 1 341 32.53 '#70c230' +C GLU A 1 341 30.52 '#60bb35' +O GLU A 1 341 33.47 '#77c52d' +CB GLU A 1 341 33.39 '#76c52d' +CG GLU A 1 341 38.30 '#9dd620' +CD GLU A 1 341 34.81 '#81ca29' +OE1 GLU A 1 341 39.94 '#aadb1b' +OE2 GLU A 1 341 38.19 '#9cd520' +N THR A 1 342 30.91 '#63bc34' +CA THR A 1 342 30.33 '#5eba36' +C THR A 1 342 27.90 '#4bb23c' +O THR A 1 342 27.34 '#47b03e' +CB THR A 1 342 28.88 '#53b53a' +OG1 THR A 1 342 31.31 '#66bd33' +CG2 THR A 1 342 24.83 '#34a746' +N LEU A 1 343 27.37 '#47b03e' +CA LEU A 1 343 27.54 '#48b03d' +C LEU A 1 343 28.40 '#4fb33b' +O LEU A 1 343 25.28 '#37a844' +CB LEU A 1 343 24.08 '#34a54a' +CG LEU A 1 343 26.71 '#42ad40' +CD1 LEU A 1 343 28.12 '#4db23c' +CD2 LEU A 1 343 27.57 '#49b03d' +N ARG A 1 344 26.62 '#41ad40' +CA ARG A 1 344 26.35 '#3fac41' +C ARG A 1 344 25.72 '#3aaa43' +O ARG A 1 344 28.43 '#4fb33b' +CB ARG A 1 344 26.05 '#3dab42' +CG ARG A 1 344 30.11 '#5db936' +CD ARG A 1 344 28.01 '#4cb23c' +NE ARG A 1 344 27.86 '#4bb13d' +CZ ARG A 1 344 27.44 '#48b03e' +NH1 ARG A 1 344 29.65 '#59b838' +NH2 ARG A 1 344 26.66 '#42ad40' +N LEU A 1 345 25.70 '#3aaa43' +CA LEU A 1 345 27.06 '#45af3f' +C LEU A 1 345 25.97 '#3cab42' +O LEU A 1 345 25.88 '#3bab42' +CB LEU A 1 345 28.43 '#4fb33b' +CG LEU A 1 345 33.77 '#79c62c' +CD1 LEU A 1 345 30.62 '#61bb35' +CD2 LEU A 1 345 33.60 '#78c52d' +N PHE A 1 346 26.02 '#3cab42' +CA PHE A 1 346 26.64 '#41ad40' +C PHE A 1 346 24.38 '#34a648' +O PHE A 1 346 27.88 '#4bb23d' +CB PHE A 1 346 26.47 '#40ad40' +CG PHE A 1 346 29.95 '#5bb937' +CD1 PHE A 1 346 30.66 '#61bb35' +CD2 PHE A 1 346 31.74 '#69bf32' +CE1 PHE A 1 346 34.44 '#7fc82a' +CE2 PHE A 1 346 34.80 '#81ca29' +CZ PHE A 1 346 32.49 '#6fc230' +N PRO A 1 347 22.94 '#34a251' +CA PRO A 1 347 22.87 '#34a152' +C PRO A 1 347 26.89 '#43ae3f' +O PRO A 1 347 25.15 '#36a844' +CB PRO A 1 347 20.91 '#349c5e' +CG PRO A 1 347 22.74 '#34a153' +CD PRO A 1 347 23.00 '#34a251' +N ILE A 1 348 27.30 '#47b03e' +CA ILE A 1 348 29.02 '#54b539' +C ILE A 1 348 28.44 '#4fb33b' +O ILE A 1 348 31.24 '#65bd33' +CB ILE A 1 348 29.88 '#5bb837' +CG1 ILE A 1 348 31.06 '#64bd34' +CG2 ILE A 1 348 26.55 '#41ad40' +CD1 ILE A 1 348 34.34 '#7ec82b' +N ALA A 1 349 27.67 '#49b13d' +CA ALA A 1 349 26.68 '#42ad40' +C ALA A 1 349 26.43 '#40ac41' +O ALA A 1 349 27.65 '#49b13d' +CB ALA A 1 349 27.57 '#49b03d' +N MET A 1 350 24.49 '#34a648' +CA MET A 1 350 27.02 '#44af3f' +C MET A 1 350 27.29 '#46af3e' +O MET A 1 350 28.19 '#4eb33c' +CB MET A 1 350 30.15 '#5db936' +CG MET A 1 350 32.62 '#70c22f' +SD MET A 1 350 40.16 '#abdc1b' +CE MET A 1 350 32.04 '#6cc031' +N ARG A 1 351 26.31 '#3fac41' +CA ARG A 1 351 27.75 '#4ab13d' +C ARG A 1 351 26.56 '#41ad40' +O ARG A 1 351 27.88 '#4bb23d' +CB ARG A 1 351 26.25 '#3eac41' +CG ARG A 1 351 31.27 '#66bd33' +CD ARG A 1 351 30.65 '#61bb35' +NE ARG A 1 351 30.16 '#5db936' +CZ ARG A 1 351 28.99 '#54b539' +NH1 ARG A 1 351 31.57 '#68be32' +NH2 ARG A 1 351 28.54 '#50b43b' +N LEU A 1 352 26.82 '#43ae3f' +CA LEU A 1 352 27.10 '#45af3f' +C LEU A 1 352 28.49 '#50b43b' +O LEU A 1 352 30.40 '#5fba36' +CB LEU A 1 352 31.37 '#66be33' +CG LEU A 1 352 34.29 '#7dc82b' +CD1 LEU A 1 352 33.88 '#7ac62c' +CD2 LEU A 1 352 37.28 '#95d223' +N GLU A 1 353 26.79 '#43ae40' +CA GLU A 1 353 29.36 '#57b738' +C GLU A 1 353 24.78 '#34a746' +O GLU A 1 353 30.98 '#63bc34' +CB GLU A 1 353 30.45 '#5fba35' +CG GLU A 1 353 37.02 '#93d123' +CD GLU A 1 353 40.04 '#aadc1b' +OE1 GLU A 1 353 40.24 '#acdd1a' +OE2 GLU A 1 353 43.24 '#c4e712' +N ARG A 1 354 27.88 '#4bb23d' +CA ARG A 1 354 29.11 '#55b639' +C ARG A 1 354 30.41 '#5fba36' +O ARG A 1 354 32.74 '#71c22f' +CB ARG A 1 354 31.53 '#68be32' +CG ARG A 1 354 30.69 '#61bb35' +CD ARG A 1 354 32.17 '#6dc031' +NE ARG A 1 354 35.58 '#87cc27' +CZ ARG A 1 354 38.42 '#9ed61f' +NH1 ARG A 1 354 36.84 '#91d124' +NH2 ARG A 1 354 37.47 '#96d322' +N VAL A 1 355 31.54 '#68be32' +CA VAL A 1 355 32.31 '#6ec130' +C VAL A 1 355 34.16 '#7cc72b' +O VAL A 1 355 35.67 '#88cd27' +CB VAL A 1 355 31.32 '#66bd33' +CG1 VAL A 1 355 30.97 '#63bc34' +CG2 VAL A 1 355 29.81 '#5ab837' +N CYS A 1 356 35.42 '#86cc28' +CA CYS A 1 356 38.39 '#9dd620' +C CYS A 1 356 38.53 '#9fd71f' +O CYS A 1 356 38.84 '#a1d81e' +CB CYS A 1 356 38.95 '#a2d81e' +SG CYS A 1 356 41.75 '#b8e216' +N LYS A 1 357 41.14 '#b3e018' +CA LYS A 1 357 46.92 '#e0f408' +C LYS A 1 357 48.35 '#ecf904' +O LYS A 1 357 49.40 '#f4fc01' +CB LYS A 1 357 47.54 '#e5f606' +CG LYS A 1 357 51.50 '#f8f701' +CD LYS A 1 357 52.83 '#f7f101' +CE LYS A 1 357 54.44 '#f6e903' +NZ LYS A 1 357 55.21 '#f6e503' +N LYS A 1 358 50.30 '#f8fd00' +CA LYS A 1 358 51.39 '#f8f800' +C LYS A 1 358 52.02 '#f7f501' +O LYS A 1 358 50.74 '#f8fb00' +CB LYS A 1 358 50.92 '#f8fa00' +CG LYS A 1 358 52.45 '#f7f301' +CD LYS A 1 358 55.49 '#f6e403' +CE LYS A 1 358 56.79 '#f5de04' +NZ LYS A 1 358 58.99 '#f4d306' +N ASP A 1 359 52.94 '#f7f001' +CA ASP A 1 359 53.77 '#f7ec02' +C ASP A 1 359 53.28 '#f7ef02' +O ASP A 1 359 51.90 '#f8f501' +CB ASP A 1 359 55.73 '#f6e303' +CG ASP A 1 359 57.88 '#f4d905' +OD1 ASP A 1 359 59.06 '#f4d306' +OD2 ASP A 1 359 58.06 '#f4d805' +N VAL A 1 360 54.45 '#f6e903' +CA VAL A 1 360 54.40 '#f6e902' +C VAL A 1 360 55.89 '#f5e204' +O VAL A 1 360 55.70 '#f6e303' +CB VAL A 1 360 54.16 '#f6eb02' +CG1 VAL A 1 360 56.34 '#f5e004' +CG2 VAL A 1 360 52.80 '#f7f101' +N GLU A 1 361 57.97 '#f4d805' +CA GLU A 1 361 59.07 '#f4d306' +C GLU A 1 361 59.32 '#f4d206' +O GLU A 1 361 59.13 '#f4d306' +CB GLU A 1 361 61.36 '#f3c807' +CG GLU A 1 361 64.64 '#f1b809' +CD GLU A 1 361 66.86 '#f0ae0b' +OE1 GLU A 1 361 67.44 '#efab0b' +OE2 GLU A 1 361 67.43 '#efab0b' +N ILE A 1 362 58.60 '#f4d505' +CA ILE A 1 362 58.07 '#f4d805' +C ILE A 1 362 58.06 '#f4d805' +O ILE A 1 362 56.92 '#f5dd04' +CB ILE A 1 362 57.99 '#f4d805' +CG1 ILE A 1 362 57.90 '#f4d905' +CG2 ILE A 1 362 57.78 '#f4d905' +CD1 ILE A 1 362 59.93 '#f3cf06' +N ASN A 1 363 58.94 '#f4d406' +CA ASN A 1 363 58.45 '#f4d605' +C ASN A 1 363 58.38 '#f4d605' +O ASN A 1 363 58.46 '#f4d605' +CB ASN A 1 363 61.00 '#f3ca07' +CG ASN A 1 363 62.05 '#f2c508' +OD1 ASN A 1 363 64.97 '#f1b70a' +ND2 ASN A 1 363 62.67 '#f2c208' +N GLY A 1 364 57.48 '#f5db05' +CA GLY A 1 364 58.58 '#f4d505' +C GLY A 1 364 58.96 '#f4d306' +O GLY A 1 364 60.24 '#f3cd06' +N MET A 1 365 59.06 '#f4d306' +CA MET A 1 365 56.89 '#f5dd04' +C MET A 1 365 54.41 '#f6e902' +O MET A 1 365 53.66 '#f7ed02' +CB MET A 1 365 58.60 '#f4d505' +CG MET A 1 365 58.24 '#f4d705' +SD MET A 1 365 59.16 '#f4d306' +CE MET A 1 365 58.46 '#f4d605' +N PHE A 1 366 51.34 '#f8f800' +CA PHE A 1 366 50.03 '#f8fe00' +C PHE A 1 366 48.45 '#ecf904' +O PHE A 1 366 47.82 '#e7f706' +CB PHE A 1 366 49.00 '#f1fb02' +CG PHE A 1 366 49.26 '#f3fc02' +CD1 PHE A 1 366 49.29 '#f3fc01' +CD2 PHE A 1 366 49.09 '#f1fb02' +CE1 PHE A 1 366 49.09 '#f1fb02' +CE2 PHE A 1 366 49.98 '#f8fe00' +CZ PHE A 1 366 48.93 '#f0fb02' +N ILE A 1 367 46.61 '#def309' +CA ILE A 1 367 44.73 '#cfec0e' +C ILE A 1 367 43.72 '#c7e911' +O ILE A 1 367 44.94 '#d1ed0d' +CB ILE A 1 367 45.43 '#d5ef0c' +CG1 ILE A 1 367 45.42 '#d5ef0c' +CG2 ILE A 1 367 45.18 '#d3ee0d' +CD1 ILE A 1 367 47.45 '#e5f607' +N PRO A 1 368 43.50 '#c6e811' +CA PRO A 1 368 42.59 '#bee514' +C PRO A 1 368 42.11 '#bbe315' +O PRO A 1 368 42.69 '#bfe514' +CB PRO A 1 368 42.35 '#bde415' +CG PRO A 1 368 41.43 '#b5e117' +CD PRO A 1 368 41.78 '#b8e216' +N LYS A 1 369 41.45 '#b5e117' +CA LYS A 1 369 40.90 '#b1df19' +C LYS A 1 369 39.44 '#a6da1d' +O LYS A 1 369 37.86 '#99d421' +CB LYS A 1 369 44.05 '#caea10' +CG LYS A 1 369 47.18 '#e2f507' +CD LYS A 1 369 49.19 '#f2fc02' +CE LYS A 1 369 51.12 '#f8f900' +NZ LYS A 1 369 54.79 '#f6e803' +N GLY A 1 370 38.54 '#9fd71f' +CA GLY A 1 370 35.98 '#8bce26' +C GLY A 1 370 33.56 '#78c52d' +O GLY A 1 370 33.84 '#7ac62c' +N VAL A 1 371 31.42 '#67be33' +CA VAL A 1 371 30.62 '#61bb35' +C VAL A 1 371 28.32 '#4fb33b' +O VAL A 1 371 29.33 '#56b739' +CB VAL A 1 371 33.69 '#79c62d' +CG1 VAL A 1 371 30.99 '#63bc34' +CG2 VAL A 1 371 33.99 '#7bc72c' +N VAL A 1 372 26.73 '#42ae40' +CA VAL A 1 372 28.36 '#4fb33b' +C VAL A 1 372 27.70 '#4ab13d' +O VAL A 1 372 30.10 '#5cb936' +CB VAL A 1 372 27.65 '#49b13d' +CG1 VAL A 1 372 25.79 '#3baa42' +CG2 VAL A 1 372 28.18 '#4db33c' +N VAL A 1 373 28.09 '#4db23c' +CA VAL A 1 373 27.40 '#47b03e' +C VAL A 1 373 27.28 '#46af3e' +O VAL A 1 373 28.62 '#51b43b' +CB VAL A 1 373 26.43 '#40ac41' +CG1 VAL A 1 373 28.25 '#4eb33c' +CG2 VAL A 1 373 28.26 '#4eb33c' +N MET A 1 374 28.76 '#52b53a' +CA MET A 1 374 29.99 '#5cb937' +C MET A 1 374 29.09 '#55b639' +O MET A 1 374 29.39 '#57b738' +CB MET A 1 374 27.38 '#47b03e' +CG MET A 1 374 30.99 '#63bc34' +SD MET A 1 374 33.78 '#79c62c' +CE MET A 1 374 30.37 '#5fba36' +N ILE A 1 375 28.79 '#52b53a' +CA ILE A 1 375 28.84 '#53b53a' +C ILE A 1 375 27.45 '#48b03e' +O ILE A 1 375 27.01 '#44ae3f' +CB ILE A 1 375 30.37 '#5fba36' +CG1 ILE A 1 375 32.39 '#6ec130' +CG2 ILE A 1 375 31.72 '#69bf32' +CD1 ILE A 1 375 35.88 '#8acd26' +N PRO A 1 376 26.56 '#41ad40' +CA PRO A 1 376 27.63 '#49b13d' +C PRO A 1 376 27.97 '#4cb23c' +O PRO A 1 376 30.36 '#5fba36' +CB PRO A 1 376 26.76 '#42ae40' +CG PRO A 1 376 27.55 '#48b03d' +CD PRO A 1 376 26.89 '#43ae3f' +N SER A 1 377 28.41 '#4fb33b' +CA SER A 1 377 28.96 '#54b53a' +C SER A 1 377 30.87 '#63bc34' +O SER A 1 377 28.04 '#4cb23c' +CB SER A 1 377 28.85 '#53b53a' +OG SER A 1 377 28.90 '#53b53a' +N TYR A 1 378 27.08 '#45af3f' +CA TYR A 1 378 28.45 '#50b43b' +C TYR A 1 378 31.81 '#6abf32' +O TYR A 1 378 32.07 '#6cc031' +CB TYR A 1 378 28.57 '#50b43b' +CG TYR A 1 378 27.06 '#45af3f' +CD1 TYR A 1 378 25.49 '#38a943' +CD2 TYR A 1 378 30.72 '#61bb35' +CE1 TYR A 1 378 28.93 '#53b53a' +CE2 TYR A 1 378 32.53 '#70c230' +CZ TYR A 1 378 28.98 '#54b53a' +OH TYR A 1 378 36.47 '#8ecf25' +N ALA A 1 379 31.98 '#6bc031' +CA ALA A 1 379 33.21 '#75c42e' +C ALA A 1 379 31.68 '#69bf32' +O ALA A 1 379 32.23 '#6dc131' +CB ALA A 1 379 31.80 '#6abf32' +N LEU A 1 380 32.56 '#70c230' +CA LEU A 1 380 31.29 '#66bd33' +C LEU A 1 380 31.80 '#6abf32' +O LEU A 1 380 27.48 '#48b03e' +CB LEU A 1 380 31.12 '#64bd34' +CG LEU A 1 380 32.76 '#71c32f' +CD1 LEU A 1 380 29.48 '#58b738' +CD2 LEU A 1 380 34.08 '#7cc72b' +N HIS A 1 381 29.32 '#56b739' +CA HIS A 1 381 29.91 '#5bb937' +C HIS A 1 381 31.18 '#65bd33' +O HIS A 1 381 29.58 '#58b738' +CB HIS A 1 381 24.28 '#34a549' +CG HIS A 1 381 25.10 '#35a844' +ND1 HIS A 1 381 25.00 '#35a845' +CD2 HIS A 1 381 23.55 '#34a34e' +CE1 HIS A 1 381 24.31 '#34a649' +NE2 HIS A 1 381 24.30 '#34a649' +N ARG A 1 382 33.09 '#74c42e' +CA ARG A 1 382 37.10 '#93d223' +C ARG A 1 382 39.35 '#a5d91d' +O ARG A 1 382 38.81 '#a1d81e' +CB ARG A 1 382 37.90 '#9ad421' +CG ARG A 1 382 35.57 '#87cc27' +CD ARG A 1 382 36.18 '#8cce26' +NE ARG A 1 382 35.27 '#85cb28' +CZ ARG A 1 382 34.90 '#82ca29' +NH1 ARG A 1 382 36.45 '#8ecf25' +NH2 ARG A 1 382 36.13 '#8cce26' +N ASP A 1 383 40.47 '#aedd1a' +CA ASP A 1 383 44.85 '#d0ed0e' +C ASP A 1 383 47.46 '#e5f607' +O ASP A 1 383 47.47 '#e5f606' +CB ASP A 1 383 45.28 '#d3ee0d' +CG ASP A 1 383 46.34 '#dcf20a' +OD1 ASP A 1 383 47.05 '#e1f408' +OD2 ASP A 1 383 47.12 '#e2f407' +N PRO A 1 384 50.70 '#f8fb00' +CA PRO A 1 384 53.65 '#f7ed02' +C PRO A 1 384 54.50 '#f6e903' +O PRO A 1 384 56.57 '#f5df04' +CB PRO A 1 384 52.59 '#f7f201' +CG PRO A 1 384 53.86 '#f6ec02' +CD PRO A 1 384 50.53 '#f8fc00' +N LYS A 1 385 55.47 '#f6e403' +CA LYS A 1 385 57.50 '#f5db05' +C LYS A 1 385 57.69 '#f5da05' +O LYS A 1 385 58.34 '#f4d605' +CB LYS A 1 385 60.07 '#f3ce06' +CG LYS A 1 385 63.78 '#f1bc09' +CD LYS A 1 385 66.31 '#f0b00b' +CE LYS A 1 385 68.37 '#efa60c' +NZ LYS A 1 385 69.57 '#eea10d' +N TYR A 1 386 56.10 '#f5e104' +CA TYR A 1 386 55.48 '#f6e403' +C TYR A 1 386 53.80 '#f7ec02' +O TYR A 1 386 55.10 '#f6e603' +CB TYR A 1 386 55.15 '#f6e603' +CG TYR A 1 386 55.99 '#f5e204' +CD1 TYR A 1 386 55.98 '#f5e204' +CD2 TYR A 1 386 55.73 '#f6e303' +CE1 TYR A 1 386 55.16 '#f6e603' +CE2 TYR A 1 386 57.29 '#f5dc04' +CZ TYR A 1 386 56.41 '#f5e004' +OH TYR A 1 386 55.51 '#f6e403' +N TRP A 1 387 52.58 '#f7f201' +CA TRP A 1 387 50.84 '#f8fa00' +C TRP A 1 387 50.72 '#f8fb00' +O TRP A 1 387 51.28 '#f8f800' +CB TRP A 1 387 48.32 '#ebf904' +CG TRP A 1 387 44.85 '#d0ed0e' +CD1 TRP A 1 387 44.58 '#ceec0e' +CD2 TRP A 1 387 42.43 '#bde414' +NE1 TRP A 1 387 39.71 '#a8db1c' +CE2 TRP A 1 387 41.37 '#b5e017' +CE3 TRP A 1 387 41.57 '#b6e117' +CZ2 TRP A 1 387 39.28 '#a4d91d' +CZ3 TRP A 1 387 40.93 '#b1df19' +CH2 TRP A 1 387 40.78 '#b0de19' +N THR A 1 388 49.95 '#f8fe00' +CA THR A 1 388 49.36 '#f3fc01' +C THR A 1 388 47.23 '#e3f507' +O THR A 1 388 45.64 '#d6ef0c' +CB THR A 1 388 50.52 '#f8fc00' +OG1 THR A 1 388 52.38 '#f7f301' +CG2 THR A 1 388 52.71 '#f7f101' +N GLU A 1 389 46.70 '#dff309' +CA GLU A 1 389 48.49 '#edf904' +C GLU A 1 389 47.99 '#e9f805' +O GLU A 1 389 47.51 '#e5f606' +CB GLU A 1 389 50.35 '#f8fd00' +CG GLU A 1 389 53.14 '#f7ef02' +CD GLU A 1 389 53.85 '#f6ec02' +OE1 GLU A 1 389 54.66 '#f6e803' +OE2 GLU A 1 389 53.75 '#f7ed02' +N PRO A 1 390 46.87 '#e0f408' +CA PRO A 1 390 46.10 '#daf10a' +C PRO A 1 390 43.77 '#c8e911' +O PRO A 1 390 43.81 '#c8e911' +CB PRO A 1 390 47.89 '#e8f705' +CG PRO A 1 390 47.90 '#e8f705' +CD PRO A 1 390 47.68 '#e6f606' +N GLU A 1 391 43.13 '#c3e712' +CA GLU A 1 391 44.25 '#cbea0f' +C GLU A 1 391 43.23 '#c3e712' +O GLU A 1 391 44.63 '#ceec0e' +CB GLU A 1 391 47.25 '#e3f507' +CG GLU A 1 391 53.11 '#f7f002' +CD GLU A 1 391 56.83 '#f5de04' +OE1 GLU A 1 391 58.94 '#f4d406' +OE2 GLU A 1 391 56.48 '#f5df04' +N LYS A 1 392 41.95 '#b9e216' +CA LYS A 1 392 41.18 '#b3e018' +C LYS A 1 392 37.90 '#9ad421' +O LYS A 1 392 37.77 '#99d421' +CB LYS A 1 392 42.75 '#c0e514' +CG LYS A 1 392 47.06 '#e1f408' +CD LYS A 1 392 50.97 '#f8fa00' +CE LYS A 1 392 52.57 '#f7f201' +NZ LYS A 1 392 51.61 '#f8f701' +N PHE A 1 393 36.63 '#90d024' +CA PHE A 1 393 36.49 '#8fcf25' +C PHE A 1 393 37.46 '#96d322' +O PHE A 1 393 38.28 '#9dd620' +CB PHE A 1 393 33.55 '#78c52d' +CG PHE A 1 393 34.40 '#7ec82b' +CD1 PHE A 1 393 34.15 '#7cc72b' +CD2 PHE A 1 393 36.34 '#8dcf25' +CE1 PHE A 1 393 32.62 '#70c22f' +CE2 PHE A 1 393 34.36 '#7ec82b' +CZ PHE A 1 393 35.29 '#85cb28' +N LEU A 1 394 39.03 '#a2d81e' +CA LEU A 1 394 38.44 '#9ed61f' +C LEU A 1 394 38.33 '#9dd620' +O LEU A 1 394 38.86 '#a1d81e' +CB LEU A 1 394 39.91 '#a9db1b' +CG LEU A 1 394 42.82 '#c0e613' +CD1 LEU A 1 394 42.48 '#bee414' +CD2 LEU A 1 394 44.10 '#caea10' +N PRO A 1 395 36.73 '#90d024' +CA PRO A 1 395 37.65 '#98d422' +C PRO A 1 395 38.24 '#9cd620' +O PRO A 1 395 37.45 '#96d322' +CB PRO A 1 395 38.18 '#9cd520' +CG PRO A 1 395 36.90 '#92d124' +CD PRO A 1 395 36.60 '#8fd024' +N GLU A 1 396 38.41 '#9ed61f' +CA GLU A 1 396 40.30 '#acdd1a' +C GLU A 1 396 39.94 '#aadb1b' +O GLU A 1 396 39.03 '#a2d81e' +CB GLU A 1 396 43.30 '#c4e712' +CG GLU A 1 396 44.39 '#cdeb0f' +CD GLU A 1 396 47.31 '#e3f507' +OE1 GLU A 1 396 49.77 '#f7fe00' +OE2 GLU A 1 396 50.10 '#f8fe00' +N ARG A 1 397 39.24 '#a4d91d' +CA ARG A 1 397 37.27 '#95d223' +C ARG A 1 397 36.68 '#90d024' +O ARG A 1 397 36.65 '#90d024' +CB ARG A 1 397 40.40 '#addd1a' +CG ARG A 1 397 40.27 '#acdd1a' +CD ARG A 1 397 36.72 '#90d024' +NE ARG A 1 397 34.11 '#7cc72b' +CZ ARG A 1 397 34.67 '#80c92a' +NH1 ARG A 1 397 36.23 '#8dcf26' +NH2 ARG A 1 397 32.61 '#70c22f' +N PHE A 1 398 36.18 '#8cce26' +CA PHE A 1 398 37.00 '#93d123' +C PHE A 1 398 39.74 '#a8db1c' +O PHE A 1 398 37.97 '#9ad521' +CB PHE A 1 398 35.68 '#88cd27' +CG PHE A 1 398 32.92 '#73c32f' +CD1 PHE A 1 398 30.07 '#5cb937' +CD2 PHE A 1 398 32.81 '#72c32f' +CE1 PHE A 1 398 30.66 '#61bb35' +CE2 PHE A 1 398 30.00 '#5cb937' +CZ PHE A 1 398 28.76 '#52b53a' +N SER A 1 399 43.98 '#c9ea10' +CA SER A 1 399 49.28 '#f3fc01' +C SER A 1 399 51.38 '#f8f800' +O SER A 1 399 52.32 '#f7f301' +CB SER A 1 399 47.26 '#e3f507' +OG SER A 1 399 47.36 '#e4f507' +N LYS A 1 400 54.97 '#f6e703' +CA LYS A 1 400 58.91 '#f4d406' +C LYS A 1 400 60.55 '#f3cc07' +O LYS A 1 400 60.85 '#f3ca07' +CB LYS A 1 400 59.67 '#f3d006' +CG LYS A 1 400 62.06 '#f2c508' +CD LYS A 1 400 64.18 '#f1ba09' +CE LYS A 1 400 65.60 '#f0b40a' +NZ LYS A 1 400 67.04 '#f0ad0b' +N LYS A 1 401 62.36 '#f2c308' +CA LYS A 1 401 64.92 '#f1b70a' +C LYS A 1 401 65.17 '#f1b60a' +O LYS A 1 401 65.76 '#f0b30a' +CB LYS A 1 401 68.11 '#efa80c' +CG LYS A 1 401 71.07 '#ee990e' +CD LYS A 1 401 72.22 '#ed940f' +CE LYS A 1 401 73.39 '#ec8e0f' +NZ LYS A 1 401 74.56 '#ec8910' +N ASN A 1 402 63.99 '#f1bb09' +CA ASN A 1 402 62.93 '#f2c008' +C ASN A 1 402 62.05 '#f2c508' +O ASN A 1 402 62.36 '#f2c308' +CB ASN A 1 402 62.83 '#f2c108' +CG ASN A 1 402 62.79 '#f2c108' +OD1 ASN A 1 402 62.19 '#f2c408' +ND2 ASN A 1 402 62.16 '#f2c408' +N LYS A 1 403 61.71 '#f2c607' +CA LYS A 1 403 60.59 '#f3cc07' +C LYS A 1 403 60.72 '#f3cb07' +O LYS A 1 403 60.83 '#f3cb07' +CB LYS A 1 403 60.31 '#f3cd07' +CG LYS A 1 403 59.28 '#f4d206' +CD LYS A 1 403 57.51 '#f5da05' +CE LYS A 1 403 57.72 '#f4d905' +NZ LYS A 1 403 55.97 '#f5e204' +N ASP A 1 404 59.58 '#f4d106' +CA ASP A 1 404 58.81 '#f4d405' +C ASP A 1 404 56.64 '#f5df04' +O ASP A 1 404 56.10 '#f5e104' +CB ASP A 1 404 62.17 '#f2c408' +CG ASP A 1 404 65.21 '#f1b50a' +OD1 ASP A 1 404 65.84 '#f0b20a' +OD2 ASP A 1 404 68.00 '#efa80c' +N ASN A 1 405 52.67 '#f7f201' +CA ASN A 1 405 50.47 '#f8fc00' +C ASN A 1 405 48.78 '#effa03' +O ASN A 1 405 48.18 '#eaf805' +CB ASN A 1 405 52.77 '#f7f101' +CG ASN A 1 405 56.61 '#f5df04' +OD1 ASN A 1 405 59.59 '#f4d006' +ND2 ASN A 1 405 56.92 '#f5dd04' +N ILE A 1 406 45.86 '#d8f00b' +CA ILE A 1 406 42.96 '#c1e613' +C ILE A 1 406 41.45 '#b5e117' +O ILE A 1 406 40.54 '#aede1a' +CB ILE A 1 406 41.52 '#b6e117' +CG1 ILE A 1 406 41.85 '#b9e216' +CG2 ILE A 1 406 41.32 '#b4e017' +CD1 ILE A 1 406 42.11 '#bbe315' +N ASP A 1 407 41.25 '#b4e018' +CA ASP A 1 407 42.38 '#bde415' +C ASP A 1 407 41.59 '#b7e117' +O ASP A 1 407 39.12 '#a3d91e' +CB ASP A 1 407 44.42 '#cdeb0f' +CG ASP A 1 407 46.07 '#daf10a' +OD1 ASP A 1 407 46.41 '#dcf209' +OD2 ASP A 1 407 50.71 '#f8fb00' +N PRO A 1 408 41.80 '#b8e216' +CA PRO A 1 408 41.51 '#b6e117' +C PRO A 1 408 41.33 '#b5e017' +O PRO A 1 408 42.51 '#bee414' +CB PRO A 1 408 43.53 '#c6e811' +CG PRO A 1 408 42.47 '#bde414' +CD PRO A 1 408 42.47 '#bde414' +N TYR A 1 409 38.82 '#a1d81e' +CA TYR A 1 409 38.88 '#a1d81e' +C TYR A 1 409 37.53 '#97d322' +O TYR A 1 409 38.30 '#9dd620' +CB TYR A 1 409 41.46 '#b6e117' +CG TYR A 1 409 44.67 '#cfec0e' +CD1 TYR A 1 409 47.31 '#e3f507' +CD2 TYR A 1 409 44.52 '#ceeb0f' +CE1 TYR A 1 409 47.99 '#e9f805' +CE2 TYR A 1 409 48.29 '#ebf904' +CZ TYR A 1 409 50.75 '#f8fb00' +OH TYR A 1 409 51.50 '#f8f701' +N ILE A 1 410 35.98 '#8bce26' +CA ILE A 1 410 36.55 '#8fd025' +C ILE A 1 410 35.03 '#83ca29' +O ILE A 1 410 34.93 '#82ca29' +CB ILE A 1 410 36.88 '#92d124' +CG1 ILE A 1 410 37.73 '#98d421' +CG2 ILE A 1 410 35.30 '#85cb28' +CD1 ILE A 1 410 38.20 '#9cd520' +N TYR A 1 411 33.45 '#77c52d' +CA TYR A 1 411 34.35 '#7ec82b' +C TYR A 1 411 35.35 '#86cc28' +O TYR A 1 411 36.63 '#90d024' +CB TYR A 1 411 31.16 '#65bd33' +CG TYR A 1 411 30.42 '#5fba36' +CD1 TYR A 1 411 27.98 '#4cb23c' +CD2 TYR A 1 411 28.86 '#53b53a' +CE1 TYR A 1 411 28.03 '#4cb23c' +CE2 TYR A 1 411 29.11 '#55b639' +CZ TYR A 1 411 29.99 '#5cb937' +OH TYR A 1 411 31.68 '#69bf32' +N THR A 1 412 34.06 '#7cc72b' +CA THR A 1 412 34.27 '#7dc82b' +C THR A 1 412 33.15 '#74c42e' +O THR A 1 412 35.55 '#87cc27' +CB THR A 1 412 35.82 '#89cd27' +OG1 THR A 1 412 36.60 '#8fd024' +CG2 THR A 1 412 35.94 '#8ace26' +N PRO A 1 413 31.60 '#68be32' +CA PRO A 1 413 31.11 '#64bd34' +C PRO A 1 413 30.74 '#62bb35' +O PRO A 1 413 31.37 '#66be33' +CB PRO A 1 413 32.01 '#6bc031' +CG PRO A 1 413 33.84 '#7ac62c' +CD PRO A 1 413 31.96 '#6bc031' +N PHE A 1 414 29.63 '#59b838' +CA PHE A 1 414 29.60 '#59b838' +C PHE A 1 414 29.31 '#56b639' +O PHE A 1 414 29.64 '#59b838' +CB PHE A 1 414 29.57 '#58b738' +CG PHE A 1 414 31.32 '#66bd33' +CD1 PHE A 1 414 30.36 '#5fba36' +CD2 PHE A 1 414 31.10 '#64bd34' +CE1 PHE A 1 414 33.08 '#74c42e' +CE2 PHE A 1 414 33.66 '#78c62d' +CZ PHE A 1 414 34.75 '#81c92a' +N GLY A 1 415 30.82 '#62bc34' +CA GLY A 1 415 33.37 '#76c52d' +C GLY A 1 415 36.38 '#8ecf25' +O GLY A 1 415 36.57 '#8fd025' +N SER A 1 416 37.35 '#95d222' +CA SER A 1 416 38.25 '#9cd620' +C SER A 1 416 39.04 '#a3d81e' +O SER A 1 416 35.51 '#87cc27' +CB SER A 1 416 39.89 '#a9db1b' +OG SER A 1 416 42.79 '#c0e513' +N GLY A 1 417 41.08 '#b3df18' +CA GLY A 1 417 39.61 '#a7da1c' +C GLY A 1 417 39.55 '#a7da1c' +O GLY A 1 417 37.27 '#95d223' +N PRO A 1 418 39.87 '#a9db1b' +CA PRO A 1 418 40.28 '#acdd1a' +C PRO A 1 418 40.06 '#abdc1b' +O PRO A 1 418 40.42 '#addd1a' +CB PRO A 1 418 40.94 '#b1df19' +CG PRO A 1 418 41.22 '#b4e018' +CD PRO A 1 418 39.01 '#a2d81e' +N ARG A 1 419 40.48 '#aedd1a' +CA ARG A 1 419 41.41 '#b5e117' +C ARG A 1 419 39.51 '#a6da1c' +O ARG A 1 419 39.45 '#a6da1d' +CB ARG A 1 419 41.32 '#b4e017' +CG ARG A 1 419 43.27 '#c4e712' +CD ARG A 1 419 42.87 '#c1e613' +NE ARG A 1 419 40.94 '#b1df19' +CZ ARG A 1 419 39.93 '#aadb1b' +NH1 ARG A 1 419 36.81 '#91d124' +NH2 ARG A 1 419 39.27 '#a4d91d' +N ASN A 1 420 37.43 '#96d322' +CA ASN A 1 420 37.78 '#99d421' +C ASN A 1 420 34.39 '#7ec82b' +O ASN A 1 420 35.31 '#85cb28' +CB ASN A 1 420 38.11 '#9bd520' +CG ASN A 1 420 43.18 '#c3e712' +OD1 ASN A 1 420 45.07 '#d2ed0d' +ND2 ASN A 1 420 38.85 '#a1d81e' +N CYS A 1 421 32.77 '#71c32f' +CA CYS A 1 421 34.46 '#7fc82a' +C CYS A 1 421 37.29 '#95d223' +O CYS A 1 421 37.09 '#93d223' +CB CYS A 1 421 30.15 '#5db936' +SG CYS A 1 421 35.00 '#83ca29' +N ILE A 1 422 38.82 '#a1d81e' +CA ILE A 1 422 39.30 '#a5d91d' +C ILE A 1 422 40.20 '#acdc1b' +O ILE A 1 422 41.31 '#b4e017' +CB ILE A 1 422 38.85 '#a1d81e' +CG1 ILE A 1 422 40.42 '#addd1a' +CG2 ILE A 1 422 36.30 '#8dcf25' +CD1 ILE A 1 422 41.19 '#b3e018' +N GLY A 1 423 39.75 '#a8db1c' +CA GLY A 1 423 38.99 '#a2d81e' +C GLY A 1 423 38.90 '#a1d81e' +O GLY A 1 423 38.18 '#9cd520' +N MET A 1 424 37.06 '#93d123' +CA MET A 1 424 39.26 '#a4d91d' +C MET A 1 424 40.07 '#abdc1b' +O MET A 1 424 36.56 '#8fd025' +CB MET A 1 424 38.40 '#9ed620' +CG MET A 1 424 40.03 '#aadc1b' +SD MET A 1 424 45.14 '#d2ee0d' +CE MET A 1 424 45.21 '#d3ee0d' +N ARG A 1 425 41.91 '#b9e216' +CA ARG A 1 425 44.71 '#cfec0e' +C ARG A 1 425 43.05 '#c2e613' +O ARG A 1 425 41.03 '#b2df18' +CB ARG A 1 425 47.29 '#e3f507' +CG ARG A 1 425 53.27 '#f7ef02' +CD ARG A 1 425 57.63 '#f5da05' +NE ARG A 1 425 61.69 '#f2c607' +CZ ARG A 1 425 63.08 '#f2c008' +NH1 ARG A 1 425 63.67 '#f1bd09' +NH2 ARG A 1 425 63.24 '#f2bf09' +N PHE A 1 426 42.10 '#bbe315' +CA PHE A 1 426 38.71 '#a0d71f' +C PHE A 1 426 36.62 '#90d024' +O PHE A 1 426 36.42 '#8ecf25' +CB PHE A 1 426 39.65 '#a7da1c' +CG PHE A 1 426 40.27 '#acdd1a' +CD1 PHE A 1 426 37.34 '#95d222' +CD2 PHE A 1 426 41.18 '#b3e018' +CE1 PHE A 1 426 39.31 '#a5d91d' +CE2 PHE A 1 426 41.70 '#b7e216' +CZ PHE A 1 426 40.37 '#addd1a' +N ALA A 1 427 35.01 '#83ca29' +CA ALA A 1 427 33.86 '#7ac62c' +C ALA A 1 427 32.09 '#6cc031' +O ALA A 1 427 31.34 '#66be33' +CB ALA A 1 427 32.22 '#6dc131' +N LEU A 1 428 34.26 '#7dc82b' +CA LEU A 1 428 35.92 '#8ace26' +C LEU A 1 428 35.99 '#8bce26' +O LEU A 1 428 35.71 '#88cd27' +CB LEU A 1 428 34.72 '#81c92a' +CG LEU A 1 428 36.23 '#8dcf26' +CD1 LEU A 1 428 36.27 '#8dcf25' +CD2 LEU A 1 428 33.90 '#7ac62c' +N MET A 1 429 39.13 '#a3d91e' +CA MET A 1 429 40.65 '#afde19' +C MET A 1 429 39.74 '#a8db1c' +O MET A 1 429 40.80 '#b0de19' +CB MET A 1 429 41.56 '#b6e117' +CG MET A 1 429 45.06 '#d2ed0d' +SD MET A 1 429 47.27 '#e3f507' +CE MET A 1 429 46.30 '#dbf20a' +N ASN A 1 430 39.70 '#a8db1c' +CA ASN A 1 430 38.63 '#9fd71f' +C ASN A 1 430 38.08 '#9bd520' +O ASN A 1 430 37.01 '#93d123' +CB ASN A 1 430 41.63 '#b7e117' +CG ASN A 1 430 42.62 '#bfe514' +OD1 ASN A 1 430 46.54 '#ddf209' +ND2 ASN A 1 430 44.37 '#cceb0f' +N MET A 1 431 38.00 '#9ad521' +CA MET A 1 431 37.18 '#94d223' +C MET A 1 431 36.94 '#92d124' +O MET A 1 431 35.30 '#85cb28' +CB MET A 1 431 36.62 '#90d024' +CG MET A 1 431 36.71 '#90d024' +SD MET A 1 431 39.68 '#a8db1c' +CE MET A 1 431 37.27 '#95d223' +N LYS A 1 432 37.37 '#95d322' +CA LYS A 1 432 39.21 '#a4d91d' +C LYS A 1 432 40.02 '#aadc1b' +O LYS A 1 432 41.73 '#b8e216' +CB LYS A 1 432 37.01 '#93d123' +CG LYS A 1 432 32.76 '#71c32f' +CD LYS A 1 432 31.18 '#65bd33' +CE LYS A 1 432 32.13 '#6cc031' +NZ LYS A 1 432 33.24 '#75c42e' +N LEU A 1 433 40.54 '#aede1a' +CA LEU A 1 433 40.57 '#afde1a' +C LEU A 1 433 39.46 '#a6da1d' +O LEU A 1 433 40.12 '#abdc1b' +CB LEU A 1 433 40.45 '#aedd1a' +CG LEU A 1 433 40.02 '#aadc1b' +CD1 LEU A 1 433 41.37 '#b5e017' +CD2 LEU A 1 433 40.83 '#b1df19' +N ALA A 1 434 39.17 '#a4d91d' +CA ALA A 1 434 38.00 '#9ad521' +C ALA A 1 434 38.18 '#9cd520' +O ALA A 1 434 38.00 '#9ad521' +CB ALA A 1 434 40.02 '#aadc1b' +N LEU A 1 435 37.65 '#98d422' +CA LEU A 1 435 37.31 '#95d223' +C LEU A 1 435 36.97 '#92d123' +O LEU A 1 435 35.12 '#84cb29' +CB LEU A 1 435 34.79 '#81ca29' +CG LEU A 1 435 38.47 '#9ed61f' +CD1 LEU A 1 435 36.72 '#90d024' +CD2 LEU A 1 435 33.11 '#74c42e' +N ILE A 1 436 35.89 '#8acd26' +CA ILE A 1 436 37.96 '#9ad521' +C ILE A 1 436 40.51 '#aedd1a' +O ILE A 1 436 40.05 '#aadc1b' +CB ILE A 1 436 37.22 '#94d223' +CG1 ILE A 1 436 33.99 '#7bc72c' +CG2 ILE A 1 436 36.45 '#8ecf25' +CD1 ILE A 1 436 33.26 '#75c42e' +N ARG A 1 437 42.31 '#bce415' +CA ARG A 1 437 43.48 '#c5e811' +C ARG A 1 437 42.17 '#bbe315' +O ARG A 1 437 42.38 '#bde415' +CB ARG A 1 437 46.00 '#d9f10b' +CG ARG A 1 437 48.54 '#edf904' +CD ARG A 1 437 50.92 '#f8fa00' +NE ARG A 1 437 54.95 '#f6e703' +CZ ARG A 1 437 55.81 '#f5e303' +NH1 ARG A 1 437 56.11 '#f5e104' +NH2 ARG A 1 437 57.00 '#f5dd04' +N VAL A 1 438 41.12 '#b3e018' +CA VAL A 1 438 41.93 '#b9e216' +C VAL A 1 438 43.80 '#c8e911' +O VAL A 1 438 46.76 '#dff308' +CB VAL A 1 438 41.81 '#b8e216' +CG1 VAL A 1 438 43.29 '#c4e712' +CG2 VAL A 1 438 39.92 '#a9db1b' +N LEU A 1 439 43.32 '#c4e712' +CA LEU A 1 439 42.54 '#bee514' +C LEU A 1 439 44.40 '#cdeb0f' +O LEU A 1 439 42.95 '#c1e613' +CB LEU A 1 439 39.00 '#a2d81e' +CG LEU A 1 439 35.73 '#89cd27' +CD1 LEU A 1 439 37.66 '#98d422' +CD2 LEU A 1 439 38.97 '#a2d81e' +N GLN A 1 440 46.64 '#def309' +CA GLN A 1 440 47.61 '#e6f606' +C GLN A 1 440 48.34 '#ebf904' +O GLN A 1 440 51.07 '#f8f900' +CB GLN A 1 440 48.00 '#e9f805' +CG GLN A 1 440 48.48 '#edf904' +CD GLN A 1 440 49.90 '#f8fe00' +OE1 GLN A 1 440 52.87 '#f7f101' +NE2 GLN A 1 440 48.83 '#effa03' +N ASN A 1 441 47.27 '#e3f507' +CA ASN A 1 441 45.28 '#d3ee0d' +C ASN A 1 441 43.33 '#c4e712' +O ASN A 1 441 43.23 '#c3e712' +CB ASN A 1 441 45.88 '#d8f00b' +CG ASN A 1 441 47.31 '#e3f507' +OD1 ASN A 1 441 50.18 '#f8fe00' +ND2 ASN A 1 441 49.91 '#f8fe00' +N PHE A 1 442 42.30 '#bce415' +CA PHE A 1 442 41.58 '#b6e117' +C PHE A 1 442 41.78 '#b8e216' +O PHE A 1 442 39.57 '#a7da1c' +CB PHE A 1 442 44.83 '#d0ed0e' +CG PHE A 1 442 44.28 '#cceb0f' +CD1 PHE A 1 442 47.25 '#e3f507' +CD2 PHE A 1 442 47.67 '#e6f606' +CE1 PHE A 1 442 49.11 '#f2fb02' +CE2 PHE A 1 442 48.27 '#ebf804' +CZ PHE A 1 442 50.20 '#f8fe00' +N SER A 1 443 41.08 '#b3df18' +CA SER A 1 443 44.72 '#cfec0e' +C SER A 1 443 45.37 '#d4ee0c' +O SER A 1 443 47.04 '#e1f408' +CB SER A 1 443 45.21 '#d3ee0d' +OG SER A 1 443 46.34 '#dcf20a' +N PHE A 1 444 45.50 '#d5ef0c' +CA PHE A 1 444 47.27 '#e3f507' +C PHE A 1 444 49.13 '#f2fb02' +O PHE A 1 444 50.47 '#f8fc00' +CB PHE A 1 444 46.94 '#e1f408' +CG PHE A 1 444 46.25 '#dbf10a' +CD1 PHE A 1 444 46.45 '#ddf209' +CD2 PHE A 1 444 47.38 '#e4f507' +CE1 PHE A 1 444 49.30 '#f3fc01' +CE2 PHE A 1 444 47.34 '#e4f507' +CZ PHE A 1 444 47.58 '#e6f606' +N LYS A 1 445 51.34 '#f8f800' +CA LYS A 1 445 54.26 '#f6ea02' +C LYS A 1 445 55.49 '#f6e403' +O LYS A 1 445 55.53 '#f6e403' +CB LYS A 1 445 56.38 '#f5e004' +CG LYS A 1 445 58.94 '#f4d406' +CD LYS A 1 445 61.72 '#f2c607' +CE LYS A 1 445 61.53 '#f3c707' +NZ LYS A 1 445 60.63 '#f3cb07' +N PRO A 1 446 57.25 '#f5dc04' +CA PRO A 1 446 59.04 '#f4d306' +C PRO A 1 446 61.72 '#f2c607' +O PRO A 1 446 61.68 '#f2c607' +CB PRO A 1 446 59.44 '#f4d106' +CG PRO A 1 446 58.57 '#f4d505' +CD PRO A 1 446 57.59 '#f5da05' +N CYS A 1 447 64.20 '#f1ba09' +CA CYS A 1 447 66.46 '#f0af0b' +C CYS A 1 447 66.62 '#f0af0b' +O CYS A 1 447 65.13 '#f1b60a' +CB CYS A 1 447 68.73 '#efa50c' +SG CYS A 1 447 74.40 '#ec8910' +N LYS A 1 448 67.94 '#efa80c' +CA LYS A 1 448 68.49 '#efa60c' +C LYS A 1 448 68.16 '#efa70c' +O LYS A 1 448 67.77 '#efa90c' +CB LYS A 1 448 70.28 '#ee9d0d' +CG LYS A 1 448 71.43 '#ed980e' +CD LYS A 1 448 71.78 '#ed960e' +CE LYS A 1 448 72.49 '#ed930f' +NZ LYS A 1 448 72.60 '#ed920f' +N GLU A 1 449 68.30 '#efa70c' +CA GLU A 1 449 68.27 '#efa70c' +C GLU A 1 449 66.37 '#f0b00b' +O GLU A 1 449 66.20 '#f0b10b' +CB GLU A 1 449 70.59 '#ee9c0e' +CG GLU A 1 449 74.14 '#ec8b10' +CD GLU A 1 449 76.28 '#e98111' +OE1 GLU A 1 449 77.43 '#e77d12' +OE2 GLU A 1 449 77.36 '#e77d12' +N THR A 1 450 63.97 '#f1bb09' +CA THR A 1 450 62.09 '#f2c408' +C THR A 1 450 61.30 '#f3c807' +O THR A 1 450 60.81 '#f3cb07' +CB THR A 1 450 61.50 '#f3c707' +OG1 THR A 1 450 59.31 '#f4d206' +CG2 THR A 1 450 60.90 '#f3ca07' +N GLN A 1 451 60.81 '#f3cb07' +CA GLN A 1 451 60.57 '#f3cc07' +C GLN A 1 451 60.16 '#f3ce06' +O GLN A 1 451 59.19 '#f4d206' +CB GLN A 1 451 61.79 '#f2c608' +CG GLN A 1 451 64.12 '#f1bb09' +CD GLN A 1 451 66.53 '#f0af0b' +OE1 GLN A 1 451 68.72 '#efa50c' +NE2 GLN A 1 451 68.01 '#efa80c' +N ILE A 1 452 59.30 '#f4d206' +CA ILE A 1 452 58.84 '#f4d406' +C ILE A 1 452 58.57 '#f4d505' +O ILE A 1 452 58.92 '#f4d406' +CB ILE A 1 452 58.06 '#f4d805' +CG1 ILE A 1 452 57.44 '#f5db05' +CG2 ILE A 1 452 57.87 '#f4d905' +CD1 ILE A 1 452 56.04 '#f5e204' +N PRO A 1 453 57.80 '#f4d905' +CA PRO A 1 453 56.60 '#f5df04' +C PRO A 1 453 55.85 '#f5e203' +O PRO A 1 453 54.23 '#f6ea02' +CB PRO A 1 453 56.10 '#f5e104' +CG PRO A 1 453 57.95 '#f4d805' +CD PRO A 1 453 57.69 '#f5da05' +N LEU A 1 454 55.86 '#f5e203' +CA LEU A 1 454 55.80 '#f5e303' +C LEU A 1 454 54.73 '#f6e803' +O LEU A 1 454 53.51 '#f7ee02' +CB LEU A 1 454 56.66 '#f5df04' +CG LEU A 1 454 56.29 '#f5e004' +CD1 LEU A 1 454 57.85 '#f4d905' +CD2 LEU A 1 454 56.71 '#f5de04' +N LYS A 1 455 54.67 '#f6e803' +CA LYS A 1 455 55.05 '#f6e603' +C LYS A 1 455 54.01 '#f6eb02' +O LYS A 1 455 54.20 '#f6ea02' +CB LYS A 1 455 57.02 '#f5dd04' +CG LYS A 1 455 59.79 '#f3d006' +CD LYS A 1 455 61.42 '#f3c807' +CE LYS A 1 455 64.28 '#f1ba09' +NZ LYS A 1 455 64.94 '#f1b70a' +N LEU A 1 456 51.81 '#f8f601' +CA LEU A 1 456 50.18 '#f8fe00' +C LEU A 1 456 49.10 '#f1fb02' +O LEU A 1 456 49.02 '#f1fb02' +CB LEU A 1 456 49.34 '#f3fc01' +CG LEU A 1 456 48.50 '#edf904' +CD1 LEU A 1 456 47.72 '#e7f706' +CD2 LEU A 1 456 47.95 '#e8f705' +N SER A 1 457 48.84 '#effa03' +CA SER A 1 457 48.01 '#e9f805' +C SER A 1 457 48.09 '#eaf805' +O SER A 1 457 47.88 '#e8f705' +CB SER A 1 457 47.83 '#e7f705' +OG SER A 1 457 48.43 '#ecf904' +N LEU A 1 458 46.78 '#dff308' +CA LEU A 1 458 46.28 '#dbf20a' +C LEU A 1 458 45.01 '#d1ed0d' +O LEU A 1 458 46.83 '#e0f308' +CB LEU A 1 458 48.48 '#edf904' +CG LEU A 1 458 50.11 '#f8fe00' +CD1 LEU A 1 458 51.97 '#f7f501' +CD2 LEU A 1 458 50.75 '#f8fb00' +N GLY A 1 459 42.25 '#bce415' +CA GLY A 1 459 38.28 '#9dd620' +C GLY A 1 459 35.02 '#83ca29' +O GLY A 1 459 34.76 '#81c92a' +N GLY A 1 460 33.35 '#76c52d' +CA GLY A 1 460 32.04 '#6cc031' +C GLY A 1 460 30.41 '#5fba36' +O GLY A 1 460 30.51 '#60bb35' +N LEU A 1 461 31.84 '#6abf32' +CA LEU A 1 461 33.06 '#74c42e' +C LEU A 1 461 32.19 '#6dc131' +O LEU A 1 461 32.63 '#70c22f' +CB LEU A 1 461 31.39 '#67be33' +CG LEU A 1 461 36.71 '#90d024' +CD1 LEU A 1 461 37.50 '#97d322' +CD2 LEU A 1 461 36.49 '#8fcf25' +N LEU A 1 462 30.28 '#5eba36' +CA LEU A 1 462 32.14 '#6cc031' +C LEU A 1 462 30.93 '#63bc34' +O LEU A 1 462 31.72 '#69bf32' +CB LEU A 1 462 30.79 '#62bc35' +CG LEU A 1 462 33.38 '#76c52d' +CD1 LEU A 1 462 33.32 '#76c42e' +CD2 LEU A 1 462 30.27 '#5eba36' +N GLN A 1 463 33.66 '#78c62d' +CA GLN A 1 463 36.39 '#8ecf25' +C GLN A 1 463 37.19 '#94d223' +O GLN A 1 463 34.57 '#80c92a' +CB GLN A 1 463 37.28 '#95d223' +CG GLN A 1 463 42.43 '#bde414' +CD GLN A 1 463 44.75 '#cfec0e' +OE1 GLN A 1 463 43.77 '#c8e911' +NE2 GLN A 1 463 48.02 '#e9f805' +N PRO A 1 464 39.45 '#a6da1d' +CA PRO A 1 464 42.29 '#bce415' +C PRO A 1 464 45.19 '#d3ee0d' +O PRO A 1 464 45.34 '#d4ee0c' +CB PRO A 1 464 41.47 '#b6e117' +CG PRO A 1 464 43.28 '#c4e712' +CD PRO A 1 464 39.53 '#a6da1c' +N GLU A 1 465 47.70 '#e6f606' +CA GLU A 1 465 50.93 '#f8fa00' +C GLU A 1 465 51.57 '#f8f701' +O GLU A 1 465 51.87 '#f8f601' +CB GLU A 1 465 52.99 '#f7f002' +CG GLU A 1 465 55.70 '#f6e303' +CD GLU A 1 465 58.53 '#f4d605' +OE1 GLU A 1 465 59.27 '#f4d206' +OE2 GLU A 1 465 59.05 '#f4d306' +N LYS A 1 466 52.78 '#f7f101' +CA LYS A 1 466 54.47 '#f6e903' +C LYS A 1 466 53.98 '#f6eb02' +O LYS A 1 466 55.35 '#f6e503' +CB LYS A 1 466 55.43 '#f6e403' +CG LYS A 1 466 58.19 '#f4d705' +CD LYS A 1 466 60.03 '#f3ce06' +CE LYS A 1 466 60.87 '#f3ca07' +NZ LYS A 1 466 63.47 '#f1be09' +N PRO A 1 467 53.87 '#f6ec02' +CA PRO A 1 467 53.15 '#f7ef02' +C PRO A 1 467 52.07 '#f7f501' +O PRO A 1 467 53.01 '#f7f002' +CB PRO A 1 467 53.91 '#f6ec02' +CG PRO A 1 467 54.84 '#f6e703' +CD PRO A 1 467 54.70 '#f6e803' +N VAL A 1 468 50.71 '#f8fb00' +CA VAL A 1 468 47.56 '#e5f606' +C VAL A 1 468 46.95 '#e1f408' +O VAL A 1 468 44.90 '#d1ed0e' +CB VAL A 1 468 46.53 '#ddf209' +CG1 VAL A 1 468 43.00 '#c2e613' +CG2 VAL A 1 468 46.52 '#ddf209' +N VAL A 1 469 46.80 '#dff308' +CA VAL A 1 469 47.15 '#e2f507' +C VAL A 1 469 48.43 '#ecf904' +O VAL A 1 469 48.44 '#ecf904' +CB VAL A 1 469 47.12 '#e2f407' +CG1 VAL A 1 469 46.33 '#dcf20a' +CG2 VAL A 1 469 46.18 '#dbf10a' +N LEU A 1 470 49.20 '#f2fc02' +CA LEU A 1 470 50.98 '#f8fa00' +C LEU A 1 470 53.37 '#f7ee02' +O LEU A 1 470 52.42 '#f7f301' +CB LEU A 1 470 47.52 '#e5f606' +CG LEU A 1 470 45.65 '#d6ef0c' +CD1 LEU A 1 470 42.00 '#bae316' +CD2 LEU A 1 470 43.64 '#c7e811' +N LYS A 1 471 55.19 '#f6e603' +CA LYS A 1 471 55.55 '#f6e403' +C LYS A 1 471 54.39 '#f6e902' +O LYS A 1 471 54.43 '#f6e903' +CB LYS A 1 471 57.93 '#f4d805' +CG LYS A 1 471 60.32 '#f3cd07' +CD LYS A 1 471 62.37 '#f2c308' +CE LYS A 1 471 61.97 '#f2c508' +NZ LYS A 1 471 64.05 '#f1bb09' +N VAL A 1 472 54.05 '#f6eb02' +CA VAL A 1 472 54.48 '#f6e903' +C VAL A 1 472 57.12 '#f5dc04' +O VAL A 1 472 57.35 '#f5db04' +CB VAL A 1 472 53.95 '#f6ec02' +CG1 VAL A 1 472 53.05 '#f7f002' +CG2 VAL A 1 472 52.90 '#f7f101' +N GLU A 1 473 58.03 '#f4d805' +CA GLU A 1 473 58.79 '#f4d405' +C GLU A 1 473 59.10 '#f4d306' +O GLU A 1 473 57.87 '#f4d905' +CB GLU A 1 473 60.31 '#f3cd07' +CG GLU A 1 473 62.32 '#f2c308' +CD GLU A 1 473 63.99 '#f1bb09' +OE1 GLU A 1 473 65.07 '#f1b60a' +OE2 GLU A 1 473 65.05 '#f1b60a' +N SER A 1 474 59.26 '#f4d206' +CA SER A 1 474 61.61 '#f2c707' +C SER A 1 474 62.40 '#f2c308' +O SER A 1 474 62.65 '#f2c208' +CB SER A 1 474 61.38 '#f3c807' +OG SER A 1 474 62.21 '#f2c408' +N ARG A 1 475 64.55 '#f1b909' +CA ARG A 1 475 67.29 '#f0ac0b' +C ARG A 1 475 70.31 '#ee9d0d' +O ARG A 1 475 70.57 '#ee9c0d' +CB ARG A 1 475 65.17 '#f1b60a' +CG ARG A 1 475 62.66 '#f2c208' +CD ARG A 1 475 61.17 '#f3c907' +NE ARG A 1 475 57.29 '#f5dc04' +CZ ARG A 1 475 57.73 '#f4d905' +NH1 ARG A 1 475 55.77 '#f5e303' +NH2 ARG A 1 475 55.70 '#f6e303' +N ASP A 1 476 73.76 '#ec8c10' +CA ASP A 1 476 77.34 '#e77d12' +C ASP A 1 476 78.87 '#e57713' +O ASP A 1 476 78.54 '#e57813' +CB ASP A 1 476 79.24 '#e47513' +CG ASP A 1 476 80.65 '#e17014' +OD1 ASP A 1 476 81.37 '#e06d15' +OD2 ASP A 1 476 81.49 '#e06c15' +N GLY A 1 477 80.32 '#e27114' +CA GLY A 1 477 82.66 '#de6816' +C GLY A 1 477 84.57 '#da6017' +O GLY A 1 477 84.57 '#da6017' +N THR A 1 478 86.02 '#d85a18' +CA THR A 1 478 87.42 '#d55419' +C THR A 1 478 87.85 '#d45319' +O THR A 1 478 87.85 '#d45319' +CB THR A 1 478 87.94 '#d45219' +OG1 THR A 1 478 87.94 '#d45219' +CG2 THR A 1 478 88.35 '#d3511a' +CHA HEM B 2 . 33.10 '#74c42e' +CHB HEM B 2 . 29.45 '#57b738' +CHC HEM B 2 . 34.97 '#83ca29' +CHD HEM B 2 . 36.27 '#8dcf25' +C1A HEM B 2 . 31.80 '#6abf32' +C2A HEM B 2 . 31.63 '#68bf32' +C3A HEM B 2 . 32.28 '#6ec130' +C4A HEM B 2 . 31.80 '#6abf32' +CMA HEM B 2 . 29.05 '#54b639' +CAA HEM B 2 . 32.24 '#6dc131' +CBA HEM B 2 . 34.99 '#83ca29' +CGA HEM B 2 . 35.41 '#86cc28' +O1A HEM B 2 . 38.27 '#9dd620' +O2A HEM B 2 . 36.77 '#91d024' +C1B HEM B 2 . 32.19 '#6dc131' +C2B HEM B 2 . 31.12 '#64bd34' +C3B HEM B 2 . 33.64 '#78c62d' +C4B HEM B 2 . 32.78 '#71c32f' +CMB HEM B 2 . 25.35 '#37a944' +CAB HEM B 2 . 32.10 '#6cc031' +CBB HEM B 2 . 36.12 '#8cce26' +C1C HEM B 2 . 35.06 '#83cb29' +C2C HEM B 2 . 36.92 '#92d124' +C3C HEM B 2 . 38.80 '#a1d81e' +C4C HEM B 2 . 36.45 '#8ecf25' +CMC HEM B 2 . 36.13 '#8cce26' +CAC HEM B 2 . 39.41 '#a5da1d' +CBC HEM B 2 . 42.42 '#bde414' +C1D HEM B 2 . 36.10 '#8cce26' +C2D HEM B 2 . 36.32 '#8dcf25' +C3D HEM B 2 . 36.60 '#8fd024' +C4D HEM B 2 . 35.03 '#83ca29' +CMD HEM B 2 . 35.22 '#85cb28' +CAD HEM B 2 . 33.19 '#75c42e' +CBD HEM B 2 . 36.93 '#92d124' +CGD HEM B 2 . 38.80 '#a1d81e' +O1D HEM B 2 . 40.03 '#aadc1b' +O2D HEM B 2 . 39.63 '#a7da1c' +NA HEM B 2 . 33.91 '#7ac72c' +NB HEM B 2 . 34.60 '#80c92a' +NC HEM B 2 . 36.86 '#91d124' +ND HEM B 2 . 35.41 '#86cc28' +FE HEM B 2 . 32.07 '#6cc031' +O HOH C 3 . 39.05 '#a3d81e' +O HOH C 3 . 47.23 '#e3f507' +O HOH C 3 . 54.56 '#f6e903' +O HOH C 3 . 59.14 '#f4d306' +O HOH C 3 . 37.63 '#98d322' +O HOH C 3 . 28.45 '#50b43b' +O HOH C 3 . 37.59 '#97d322' +O HOH C 3 . 45.76 '#d7f00b' +O HOH C 3 . 48.52 '#edf904' +O HOH C 3 . 49.59 '#f5fd01' +O HOH C 3 . 61.63 '#f2c707' +O HOH C 3 . 46.63 '#def309' +O HOH C 3 . 45.01 '#d1ed0d' +O HOH C 3 . 56.05 '#f5e104' +O HOH C 3 . 51.42 '#f8f800' +O HOH C 3 . 56.48 '#f5df04' +O HOH C 3 . 44.67 '#cfec0e' +O HOH C 3 . 54.56 '#f6e903' +O HOH C 3 . 60.57 '#f3cc07' +O HOH C 3 . 45.24 '#d3ee0d' +O HOH C 3 . 52.34 '#f7f301' +O HOH C 3 . 34.77 '#81c92a' +O HOH C 3 . 24.97 '#34a745' +O HOH C 3 . 28.49 '#50b43b' +O HOH C 3 . 29.67 '#59b838' +O HOH C 3 . 36.11 '#8cce26' +O HOH C 3 . 35.78 '#89cd27' +O HOH C 3 . 30.31 '#5eba36' +O HOH C 3 . 28.22 '#4eb33c' +O HOH C 3 . 37.05 '#93d123' +O HOH C 3 . 34.82 '#81ca29' +O HOH C 3 . 34.65 '#80c92a' +O HOH C 3 . 37.21 '#94d223' +O HOH C 3 . 32.20 '#6dc131' +O HOH C 3 . 35.86 '#8acd27' +O HOH C 3 . 42.40 '#bde414' +O HOH C 3 . 45.62 '#d6ef0c' +O HOH C 3 . 40.23 '#acdd1a' +O HOH C 3 . 38.13 '#9bd520' +O HOH C 3 . 44.53 '#ceeb0f' +O HOH C 3 . 37.06 '#93d123' +O HOH C 3 . 36.80 '#91d124' +O HOH C 3 . 45.03 '#d2ed0d' +O HOH C 3 . 38.31 '#9dd620' +O HOH C 3 . 46.12 '#daf10a' +O HOH C 3 . 42.13 '#bbe315' +O HOH C 3 . 35.92 '#8ace26' +O HOH C 3 . 49.21 '#f2fc02' +O HOH C 3 . 44.24 '#cbea0f' +O HOH C 3 . 46.97 '#e1f408' +O HOH C 3 . 31.54 '#68be32' +O HOH C 3 . 46.10 '#daf10a' +O HOH C 3 . 46.31 '#dcf20a' +O HOH C 3 . 47.00 '#e1f408' +O HOH C 3 . 40.98 '#b2df18' +O HOH C 3 . 34.36 '#7ec82b' +O HOH C 3 . 44.98 '#d1ed0d' +O HOH C 3 . 43.71 '#c7e911' +O HOH C 3 . 57.98 '#f4d805' +O HOH C 3 . 65.78 '#f0b30a' +O HOH C 3 . 43.05 '#c2e613' +O HOH C 3 . 42.70 '#bfe514' +O HOH C 3 . 50.29 '#f8fd00' +O HOH C 3 . 46.86 '#e0f408' +O HOH C 3 . 31.46 '#67be33' +O HOH C 3 . 48.65 '#eefa03' +O HOH C 3 . 42.35 '#bde415' +O HOH C 3 . 44.58 '#ceec0e' +O HOH C 3 . 35.05 '#83ca29' +O HOH C 3 . 53.86 '#f6ec02' +O HOH C 3 . 38.38 '#9dd620' +O HOH C 3 . 42.53 '#bee514' +O HOH C 3 . 55.69 '#f6e303' +O HOH C 3 . 53.66 '#f7ed02' +O HOH C 3 . 44.64 '#ceec0e' +O HOH C 3 . 44.69 '#cfec0e' +O HOH C 3 . 38.47 '#9ed61f' +O HOH C 3 . 60.61 '#f3cc07' +O HOH C 3 . 51.60 '#f8f701' +O HOH C 3 . 49.77 '#f7fe00' +O HOH C 3 . 42.50 '#bee414' +O HOH C 3 . 45.41 '#d5ef0c' +O HOH C 3 . 52.98 '#f7f002' +O HOH C 3 . 62.58 '#f2c208' +O HOH C 3 . 44.34 '#cceb0f' +O HOH C 3 . 56.68 '#f5de04' +O HOH C 3 . 49.05 '#f1fb02' +O HOH C 3 . 65.43 '#f0b40a' +O HOH C 3 . 43.88 '#c9e910' +O HOH C 3 . 52.11 '#f7f401' +O HOH C 3 . 55.10 '#f6e603' +O HOH C 3 . 58.49 '#f4d605' +O HOH C 3 . 49.69 '#f6fd00' +O HOH C 3 . 43.75 '#c8e911' +O HOH C 3 . 45.80 '#d8f00b' +O HOH C 3 . 53.06 '#f7f002' +O HOH C 3 . 36.90 '#92d124' +O HOH C 3 . 45.62 '#d6ef0c' +O HOH C 3 . 48.93 '#f0fb02' +O HOH C 3 . 47.51 '#e5f606' +O HOH C 3 . 47.84 '#e8f705' +O HOH C 3 . 39.20 '#a4d91d' +O HOH C 3 . 50.99 '#f8fa00' +O HOH C 3 . 43.45 '#c5e812' +O HOH C 3 . 44.11 '#caea10' +O HOH C 3 . 43.76 '#c8e911' +O HOH C 3 . 50.04 '#f8fe00' +O HOH C 3 . 50.95 '#f8fa00' +O HOH C 3 . 51.80 '#f8f601' +O HOH C 3 . 55.67 '#f6e303' +O HOH C 3 . 61.31 '#f3c807' +O HOH C 3 . 44.73 '#cfec0e' +O HOH C 3 . 40.21 '#acdc1b' +O HOH C 3 . 53.12 '#f7f002' +O HOH C 3 . 56.52 '#f5df04' +O HOH C 3 . 46.05 '#daf10a' +O HOH C 3 . 50.37 '#f8fd00' +O HOH C 3 . 29.37 '#57b738' +O HOH C 3 . 37.99 '#9ad521' +O HOH C 3 . 49.21 '#f2fc02' +O HOH C 3 . 62.80 '#f2c108' +O HOH C 3 . 40.01 '#aadc1b' +O HOH C 3 . 46.08 '#daf10a' +O HOH C 3 . 54.51 '#f6e903' +O HOH C 3 . 49.16 '#f2fc02' +O HOH C 3 . 44.75 '#cfec0e' +O HOH C 3 . 49.38 '#f4fc01' +O HOH C 3 . 57.84 '#f4d905' +O HOH C 3 . 42.06 '#bae315' +O HOH C 3 . 60.07 '#f3ce06' +O HOH C 3 . 56.21 '#f5e104' +O HOH C 3 . 39.95 '#aadc1b' +O HOH C 3 . 53.27 '#f7ef02' +O HOH C 3 . 57.39 '#f5db05' +O HOH C 3 . 50.32 '#f8fd00' +O HOH C 3 . 49.10 '#f1fb02' +O HOH C 3 . 28.88 '#53b53a' +O HOH C 3 . 32.36 '#6ec130' +O HOH C 3 . 36.35 '#8dcf25' +O HOH C 3 . 38.36 '#9dd620' +O HOH C 3 . 66.46 '#f0af0b' +O HOH C 3 . 53.26 '#f7ef02' +O HOH C 3 . 58.77 '#f4d405' +O HOH C 3 . 44.86 '#d0ed0e' +O HOH C 3 . 44.27 '#cceb0f' +O HOH C 3 . 47.09 '#e2f408' +O HOH C 3 . 50.69 '#f8fb00' +O HOH C 3 . 49.24 '#f3fc02' +O HOH C 3 . 49.42 '#f4fc01' +O HOH C 3 . 56.90 '#f5dd04' +O HOH C 3 . 62.01 '#f2c508' +O HOH C 3 . 66.31 '#f0b00b' +O HOH C 3 . 53.24 '#f7ef02' +O HOH C 3 . 50.58 '#f8fc00' +O HOH C 3 . 50.56 '#f8fc00' +O HOH C 3 . 53.78 '#f7ec02' +O HOH C 3 . 63.30 '#f2bf09' +O HOH C 3 . 63.48 '#f1be09' +O HOH C 3 . 47.97 '#e9f705' +O HOH C 3 . 63.07 '#f2c008' +O HOH C 3 . 58.98 '#f4d306' +O HOH C 3 . 49.65 '#f6fd00' +O HOH C 3 . 64.70 '#f1b809' +O HOH C 3 . 62.61 '#f2c208' +O HOH C 3 . 69.25 '#eea20d' +O HOH C 3 . 52.55 '#f7f201' +O HOH C 3 . 57.69 '#f5da05' +O HOH C 3 . 53.31 '#f7ef02' +O HOH C 3 . 67.01 '#f0ad0b' +O HOH C 3 . 57.31 '#f5db04' +O HOH C 3 . 60.51 '#f3cc07' +O HOH C 3 . 65.89 '#f0b20a' +O HOH C 3 . 54.13 '#f6eb02' +O HOH C 3 . 64.43 '#f1b909' +O HOH C 3 . 65.19 '#f1b60a' +O HOH C 3 . 60.12 '#f3ce06' +O HOH C 3 . 62.87 '#f2c108' +O HOH C 3 . 52.73 '#f7f101' +O HOH C 3 . 56.31 '#f5e004' +O HOH C 3 . 45.90 '#d8f00b' +O HOH C 3 . 65.64 '#f0b30a' +O HOH C 3 . 62.26 '#f2c408' +O HOH C 3 . 54.31 '#f6ea02' +O HOH C 3 . 54.86 '#f6e703' +O HOH C 3 . 68.14 '#efa70c' +O HOH C 3 . 62.69 '#f2c208' +O HOH C 3 . 56.19 '#f5e104' +O HOH C 3 . 45.51 '#d5ef0c' +O HOH C 3 . 53.15 '#f7ef02' +O HOH C 3 . 50.47 '#f8fc00' diff --git a/tests/mol-spec-data/1tqn/validation.json b/tests/mol-spec-data/1tqn/validation.json new file mode 100644 index 0000000..08b2a93 --- /dev/null +++ b/tests/mol-spec-data/1tqn/validation.json @@ -0,0 +1,1160 @@ +[ + { + "label_seq_id": 7, + "label_asym_id": "A", + "color": "#ff8800", + "tooltip": "RSRZ, sidechain_outliers" + }, + { + "label_seq_id": 11, + "label_asym_id": "A", + "color": "#ffff00", + "tooltip": "clashes" + }, + { + "label_seq_id": 14, + "label_asym_id": "A", + "color": "#ffff00", + "tooltip": "clashes" + }, + { + "label_seq_id": 15, + "label_asym_id": "A", + "color": "#ffff00", + "tooltip": "clashes" + }, + { + "label_seq_id": 26, + "label_asym_id": "A", + "color": "#ffff00", + "tooltip": "sidechain_outliers" + }, + { + "label_seq_id": 37, + "label_asym_id": "A", + "color": "#ffff00", + "tooltip": "clashes" + }, + { + "label_seq_id": 38, + "label_asym_id": 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A 1 273 95.01 '#0053d6' +CYS A 1 274 94.15 '#0053d6' +SER A 1 275 91.75 '#0053d6' +GLY A 1 276 88.51 '#65cbf3' +HIS A 1 277 90.16 '#0053d6' +ALA A 1 278 93.35 '#0053d6' +PRO A 1 279 92.41 '#0053d6' +HIS A 1 280 93.52 '#0053d6' +PHE A 1 281 96.09 '#0053d6' +PRO A 1 282 96.60 '#0053d6' +MET A 1 283 96.77 '#0053d6' +LYS A 1 284 97.64 '#0053d6' +LYS A 1 285 98.14 '#0053d6' +VAL A 1 286 98.61 '#0053d6' +LEU A 1 287 98.74 '#0053d6' +LEU A 1 288 98.52 '#0053d6' +LEU A 1 289 98.66 '#0053d6' +LEU A 1 290 98.81 '#0053d6' +TRP A 1 291 98.60 '#0053d6' +LYS A 1 292 97.97 '#0053d6' +THR A 1 293 98.19 '#0053d6' +VAL A 1 294 98.12 '#0053d6' +LEU A 1 295 97.22 '#0053d6' +CYS A 1 296 96.50 '#0053d6' +THR A 1 297 96.45 '#0053d6' +LEU A 1 298 96.55 '#0053d6' +GLY A 1 299 94.90 '#0053d6' +GLY A 1 300 93.73 '#0053d6' +PHE A 1 301 91.48 '#0053d6' +GLU A 1 302 90.82 '#0053d6' +GLU A 1 303 93.07 '#0053d6' +LEU A 1 304 94.34 '#0053d6' +GLN A 1 305 92.89 '#0053d6' +SER A 1 306 94.50 '#0053d6' +MET A 1 307 95.53 '#0053d6' +LYS A 1 308 95.31 '#0053d6' +ALA A 1 309 94.96 '#0053d6' +GLU A 1 310 95.70 '#0053d6' +LYS A 1 311 95.58 '#0053d6' +ARG A 1 312 96.32 '#0053d6' +SER A 1 313 96.65 '#0053d6' +ILE A 1 314 95.29 '#0053d6' +LEU A 1 315 94.92 '#0053d6' +GLY A 1 316 95.51 '#0053d6' +LEU A 1 317 95.09 '#0053d6' +PRO A 1 318 92.56 '#0053d6' +PRO A 1 319 90.75 '#0053d6' +LEU A 1 320 84.57 '#65cbf3' +PRO A 1 321 79.32 '#65cbf3' +GLU A 1 322 84.77 '#65cbf3' +ASP A 1 323 85.01 '#65cbf3' +SER A 1 324 83.71 '#65cbf3' +ILE A 1 325 82.59 '#65cbf3' +LYS A 1 326 83.31 '#65cbf3' +VAL A 1 327 84.31 '#65cbf3' +ILE A 1 328 84.16 '#65cbf3' +ARG A 1 329 78.66 '#65cbf3' +ASN A 1 330 78.83 '#65cbf3' +MET A 1 331 81.58 '#65cbf3' +ARG A 1 332 80.76 '#65cbf3' +ALA A 1 333 80.12 '#65cbf3' +ALA A 1 334 76.16 '#65cbf3' +SER A 1 335 74.44 '#65cbf3' +PRO A 1 336 65.13 '#ffdb13' +PRO A 1 337 62.71 '#ffdb13' +ALA A 1 338 58.92 '#ffdb13' +SER A 1 339 59.49 '#ffdb13' +ALA A 1 340 57.49 '#ffdb13' +SER A 1 341 56.29 '#ffdb13' +ASP A 1 342 58.28 '#ffdb13' +LEU A 1 343 66.33 '#ffdb13' +ILE A 1 344 70.25 '#65cbf3' +GLU A 1 345 62.04 '#ffdb13' +GLN A 1 346 59.71 '#ffdb13' +GLN A 1 347 61.23 '#ffdb13' +GLN A 1 348 64.12 '#ffdb13' +LYS A 1 349 54.53 '#ffdb13' +ARG A 1 350 51.92 '#ffdb13' +GLY A 1 351 45.13 '#ff7d45' +ARG A 1 352 47.54 '#ff7d45' +ARG A 1 353 40.34 '#ff7d45' +GLU A 1 354 32.04 '#ff7d45' +HIS A 1 355 31.97 '#ff7d45' +LYS A 1 356 31.19 '#ff7d45' +ALA A 1 357 29.61 '#ff7d45' +LEU A 1 358 31.19 '#ff7d45' +ILE A 1 359 36.42 '#ff7d45' +LYS A 1 360 31.21 '#ff7d45' +GLN A 1 361 33.75 '#ff7d45' +ASP A 1 362 30.67 '#ff7d45' +ASN A 1 363 32.75 '#ff7d45' +LEU A 1 364 28.49 '#ff7d45' +ASP A 1 365 29.19 '#ff7d45' +ALA A 1 366 29.68 '#ff7d45' +PHE A 1 367 33.04 '#ff7d45' +ASN A 1 368 29.64 '#ff7d45' +GLU A 1 369 30.83 '#ff7d45' +ARG A 1 370 31.99 '#ff7d45' +ASP A 1 371 36.01 '#ff7d45' +PRO A 1 372 37.22 '#ff7d45' +TYR A 1 373 31.14 '#ff7d45' +LYS A 1 374 34.55 '#ff7d45' +ALA A 1 375 33.76 '#ff7d45' +ASP A 1 376 32.47 '#ff7d45' +ASP A 1 377 32.97 '#ff7d45' +SER A 1 378 32.55 '#ff7d45' +ARG A 1 379 31.77 '#ff7d45' +GLU A 1 380 33.47 '#ff7d45' +GLU A 1 381 30.70 '#ff7d45' +GLU A 1 382 28.80 '#ff7d45' +GLU A 1 383 33.19 '#ff7d45' +GLU A 1 384 28.00 '#ff7d45' +ASN A 1 385 28.25 '#ff7d45' +ASP A 1 386 29.62 '#ff7d45' +ASP A 1 387 33.68 '#ff7d45' +ASP A 1 388 32.69 '#ff7d45' +ASN A 1 389 28.52 '#ff7d45' +SER A 1 390 32.42 '#ff7d45' +LEU A 1 391 29.38 '#ff7d45' +GLU A 1 392 31.87 '#ff7d45' +GLY A 1 393 26.18 '#ff7d45' +GLU A 1 394 30.10 '#ff7d45' +THR A 1 395 25.44 '#ff7d45' +PHE A 1 396 26.76 '#ff7d45' +PRO A 1 397 33.33 '#ff7d45' +LEU A 1 398 28.19 '#ff7d45' +GLU A 1 399 32.88 '#ff7d45' +ARG A 1 400 29.13 '#ff7d45' +ASP A 1 401 27.06 '#ff7d45' +GLU A 1 402 26.99 '#ff7d45' +VAL A 1 403 29.19 '#ff7d45' +MET A 1 404 27.25 '#ff7d45' +PRO A 1 405 30.61 '#ff7d45' +PRO A 1 406 29.39 '#ff7d45' +PRO A 1 407 28.42 '#ff7d45' +LEU A 1 408 32.08 '#ff7d45' +GLN A 1 409 27.06 '#ff7d45' +HIS A 1 410 28.53 '#ff7d45' +PRO A 1 411 31.77 '#ff7d45' +GLN A 1 412 26.79 '#ff7d45' +THR A 1 413 28.24 '#ff7d45' +ASP A 1 414 32.23 '#ff7d45' +ARG A 1 415 30.39 '#ff7d45' +LEU A 1 416 36.85 '#ff7d45' +THR A 1 417 32.40 '#ff7d45' +CYS A 1 418 36.81 '#ff7d45' +PRO A 1 419 44.29 '#ff7d45' +LYS A 1 420 51.80 '#ffdb13' +GLY A 1 421 66.56 '#ffdb13' +LEU A 1 422 76.73 '#65cbf3' +PRO A 1 423 80.72 '#65cbf3' +TRP A 1 424 85.61 '#65cbf3' +ALA A 1 425 83.08 '#65cbf3' +PRO A 1 426 86.85 '#65cbf3' +LYS A 1 427 89.16 '#65cbf3' +VAL A 1 428 90.02 '#0053d6' +ARG A 1 429 86.86 '#65cbf3' +GLU A 1 430 88.48 '#65cbf3' +LYS A 1 431 86.98 '#65cbf3' +ASP A 1 432 87.68 '#65cbf3' +ILE A 1 433 91.34 '#0053d6' +GLU A 1 434 90.59 '#0053d6' +MET A 1 435 88.90 '#65cbf3' +PHE A 1 436 90.71 '#0053d6' +LEU A 1 437 91.32 '#0053d6' +GLU A 1 438 90.28 '#0053d6' +SER A 1 439 90.03 '#0053d6' +SER A 1 440 91.52 '#0053d6' +ARG A 1 441 92.65 '#0053d6' +SER A 1 442 90.69 '#0053d6' +LYS A 1 443 92.08 '#0053d6' +PHE A 1 444 91.86 '#0053d6' +ILE A 1 445 89.56 '#65cbf3' +GLY A 1 446 87.70 '#65cbf3' +TYR A 1 447 83.64 '#65cbf3' +THR A 1 448 79.25 '#65cbf3' +LEU A 1 449 76.59 '#65cbf3' +GLY A 1 450 77.91 '#65cbf3' +SER A 1 451 78.05 '#65cbf3' +ASP A 1 452 86.16 '#65cbf3' +THR A 1 453 87.17 '#65cbf3' +ASN A 1 454 88.15 '#65cbf3' +THR A 1 455 88.56 '#65cbf3' +VAL A 1 456 89.39 '#65cbf3' +VAL A 1 457 87.95 '#65cbf3' +GLY A 1 458 87.67 '#65cbf3' +LEU A 1 459 92.30 '#0053d6' +PRO A 1 460 94.06 '#0053d6' +ARG A 1 461 93.42 '#0053d6' +PRO A 1 462 94.33 '#0053d6' +ILE A 1 463 92.56 '#0053d6' +HIS A 1 464 93.52 '#0053d6' +GLU A 1 465 93.21 '#0053d6' +SER A 1 466 92.12 '#0053d6' +ILE A 1 467 91.75 '#0053d6' +LYS A 1 468 93.43 '#0053d6' +THR A 1 469 91.82 '#0053d6' +LEU A 1 470 91.83 '#0053d6' +LYS A 1 471 91.94 '#0053d6' +GLN A 1 472 90.80 '#0053d6' +HIS A 1 473 90.25 '#0053d6' +LYS A 1 474 91.23 '#0053d6' +TYR A 1 475 91.35 '#0053d6' +THR A 1 476 93.06 '#0053d6' +SER A 1 477 93.33 '#0053d6' +ILE A 1 478 96.20 '#0053d6' +ALA A 1 479 95.39 '#0053d6' +GLU A 1 480 93.93 '#0053d6' +VAL A 1 481 96.00 '#0053d6' +GLN A 1 482 95.70 '#0053d6' +ALA A 1 483 93.88 '#0053d6' +GLN A 1 484 93.13 '#0053d6' +MET A 1 485 91.93 '#0053d6' +GLU A 1 486 92.05 '#0053d6' +GLU A 1 487 90.62 '#0053d6' +GLU A 1 488 88.73 '#65cbf3' +TYR A 1 489 84.36 '#65cbf3' +LEU A 1 490 82.47 '#65cbf3' +ARG A 1 491 85.09 '#65cbf3' +SER A 1 492 81.30 '#65cbf3' +PRO A 1 493 71.11 '#65cbf3' +LEU A 1 494 67.71 '#ffdb13' +SER A 1 495 68.69 '#ffdb13' +GLY A 1 496 63.19 '#ffdb13' +GLY A 1 497 66.78 '#ffdb13' +GLU A 1 498 70.02 '#65cbf3' +GLU A 1 499 78.48 '#65cbf3' +GLU A 1 500 81.11 '#65cbf3' +VAL A 1 501 87.70 '#65cbf3' +GLU A 1 502 88.52 '#65cbf3' +GLN A 1 503 90.48 '#0053d6' +VAL A 1 504 93.60 '#0053d6' +PRO A 1 505 94.85 '#0053d6' +ALA A 1 506 96.64 '#0053d6' +GLU A 1 507 95.77 '#0053d6' +THR A 1 508 94.83 '#0053d6' +LEU A 1 509 96.82 '#0053d6' +TYR A 1 510 97.51 '#0053d6' +GLN A 1 511 94.72 '#0053d6' +GLY A 1 512 94.31 '#0053d6' +LEU A 1 513 96.62 '#0053d6' +LEU A 1 514 95.47 '#0053d6' +PRO A 1 515 94.05 '#0053d6' +SER A 1 516 96.19 '#0053d6' +LEU A 1 517 97.02 '#0053d6' +PRO A 1 518 97.05 '#0053d6' +GLN A 1 519 97.61 '#0053d6' +TYR A 1 520 98.29 '#0053d6' +MET A 1 521 98.33 '#0053d6' +ILE A 1 522 97.35 '#0053d6' +ALA A 1 523 97.31 '#0053d6' +LEU A 1 524 98.28 '#0053d6' +LEU A 1 525 97.14 '#0053d6' +LYS A 1 526 95.15 '#0053d6' +ILE A 1 527 95.95 '#0053d6' +LEU A 1 528 95.95 '#0053d6' +LEU A 1 529 94.51 '#0053d6' +ALA A 1 530 93.52 '#0053d6' +ALA A 1 531 94.54 '#0053d6' +ALA A 1 532 91.23 '#0053d6' +PRO A 1 533 85.03 '#65cbf3' +THR A 1 534 79.75 '#65cbf3' +SER A 1 535 80.10 '#65cbf3' +LYS A 1 536 68.84 '#ffdb13' +ALA A 1 537 59.66 '#ffdb13' +LYS A 1 538 50.91 '#ffdb13' +THR A 1 539 50.27 '#ffdb13' +ASP A 1 540 60.19 '#ffdb13' +SER A 1 541 72.26 '#65cbf3' +ILE A 1 542 87.62 '#65cbf3' +ASN A 1 543 88.74 '#65cbf3' +ILE A 1 544 92.92 '#0053d6' +LEU A 1 545 92.22 '#0053d6' +ALA A 1 546 89.56 '#65cbf3' +ASP A 1 547 89.16 '#65cbf3' +VAL A 1 548 93.36 '#0053d6' +LEU A 1 549 93.11 '#0053d6' +PRO A 1 550 92.31 '#0053d6' +GLU A 1 551 87.09 '#65cbf3' +GLU A 1 552 87.56 '#65cbf3' +MET A 1 553 85.48 '#65cbf3' +PRO A 1 554 87.95 '#65cbf3' +THR A 1 555 91.45 '#0053d6' +THR A 1 556 93.43 '#0053d6' +VAL A 1 557 91.23 '#0053d6' +LEU A 1 558 91.74 '#0053d6' +GLN A 1 559 91.75 '#0053d6' +SER A 1 560 93.69 '#0053d6' +MET A 1 561 93.32 '#0053d6' +LYS A 1 562 93.96 '#0053d6' +LEU A 1 563 94.24 '#0053d6' +GLY A 1 564 93.27 '#0053d6' +VAL A 1 565 93.99 '#0053d6' +ASP A 1 566 94.66 '#0053d6' +VAL A 1 567 94.62 '#0053d6' +ASN A 1 568 94.84 '#0053d6' +ARG A 1 569 95.38 '#0053d6' +HIS A 1 570 96.57 '#0053d6' +LYS A 1 571 96.02 '#0053d6' +GLU A 1 572 96.53 '#0053d6' +VAL A 1 573 97.85 '#0053d6' +ILE A 1 574 97.86 '#0053d6' +VAL A 1 575 98.04 '#0053d6' +LYS A 1 576 97.95 '#0053d6' +ALA A 1 577 98.59 '#0053d6' +ILE A 1 578 98.72 '#0053d6' +SER A 1 579 98.64 '#0053d6' +ALA A 1 580 98.61 '#0053d6' +VAL A 1 581 98.77 '#0053d6' +LEU A 1 582 98.80 '#0053d6' +LEU A 1 583 98.56 '#0053d6' +LEU A 1 584 98.22 '#0053d6' +LEU A 1 585 98.70 '#0053d6' +LEU A 1 586 98.71 '#0053d6' +LYS A 1 587 97.92 '#0053d6' +HIS A 1 588 98.31 '#0053d6' +PHE A 1 589 98.50 '#0053d6' +LYS A 1 590 98.01 '#0053d6' +LEU A 1 591 97.11 '#0053d6' +ASN A 1 592 97.01 '#0053d6' +HIS A 1 593 97.38 '#0053d6' +VAL A 1 594 97.54 '#0053d6' +TYR A 1 595 97.74 '#0053d6' +GLN A 1 596 98.39 '#0053d6' +PHE A 1 597 98.50 '#0053d6' +GLU A 1 598 97.92 '#0053d6' +TYR A 1 599 98.10 '#0053d6' +MET A 1 600 98.43 '#0053d6' +ALA A 1 601 98.46 '#0053d6' +GLN A 1 602 96.21 '#0053d6' +HIS A 1 603 97.73 '#0053d6' +LEU A 1 604 98.49 '#0053d6' +VAL A 1 605 96.50 '#0053d6' +PHE A 1 606 94.61 '#0053d6' +ALA A 1 607 96.19 '#0053d6' +ASN A 1 608 95.97 '#0053d6' +CYS A 1 609 98.06 '#0053d6' +ILE A 1 610 97.30 '#0053d6' +PRO A 1 611 96.02 '#0053d6' +LEU A 1 612 95.88 '#0053d6' +ILE A 1 613 97.72 '#0053d6' +LEU A 1 614 96.33 '#0053d6' +LYS A 1 615 94.15 '#0053d6' +PHE A 1 616 95.63 '#0053d6' +PHE A 1 617 96.51 '#0053d6' +ASN A 1 618 94.40 '#0053d6' +GLN A 1 619 92.84 '#0053d6' +ASN A 1 620 93.42 '#0053d6' +ILE A 1 621 94.58 '#0053d6' +MET A 1 622 92.16 '#0053d6' +SER A 1 623 92.95 '#0053d6' +TYR A 1 624 94.88 '#0053d6' +ILE A 1 625 94.33 '#0053d6' +THR A 1 626 92.92 '#0053d6' +ALA A 1 627 92.51 '#0053d6' +LYS A 1 628 91.65 '#0053d6' +ASN A 1 629 92.52 '#0053d6' +SER A 1 630 91.92 '#0053d6' +ILE A 1 631 92.70 '#0053d6' +SER A 1 632 90.12 '#0053d6' +VAL A 1 633 91.46 '#0053d6' +LEU A 1 634 93.76 '#0053d6' +ASP A 1 635 94.40 '#0053d6' +TYR A 1 636 95.72 '#0053d6' +PRO A 1 637 95.69 '#0053d6' +HIS A 1 638 94.25 '#0053d6' +CYS A 1 639 94.42 '#0053d6' +VAL A 1 640 94.94 '#0053d6' +VAL A 1 641 93.64 '#0053d6' +HIS A 1 642 91.69 '#0053d6' +GLU A 1 643 85.95 '#65cbf3' +LEU A 1 644 86.84 '#65cbf3' +PRO A 1 645 85.67 '#65cbf3' +GLU A 1 646 83.97 '#65cbf3' +LEU A 1 647 87.55 '#65cbf3' +THR A 1 648 87.75 '#65cbf3' +ALA A 1 649 85.33 '#65cbf3' +GLU A 1 650 83.64 '#65cbf3' +SER A 1 651 83.40 '#65cbf3' +LEU A 1 652 83.35 '#65cbf3' +GLU A 1 653 78.59 '#65cbf3' +ALA A 1 654 74.10 '#65cbf3' +GLY A 1 655 70.85 '#65cbf3' +ASP A 1 656 74.09 '#65cbf3' +SER A 1 657 76.64 '#65cbf3' +ASN A 1 658 83.24 '#65cbf3' +GLN A 1 659 85.55 '#65cbf3' +PHE A 1 660 91.19 '#0053d6' +CYS A 1 661 93.44 '#0053d6' +TRP A 1 662 94.57 '#0053d6' +ARG A 1 663 95.39 '#0053d6' +ASN A 1 664 96.32 '#0053d6' +LEU A 1 665 96.04 '#0053d6' +PHE A 1 666 97.03 '#0053d6' +SER A 1 667 97.93 '#0053d6' +CYS A 1 668 97.98 '#0053d6' +ILE A 1 669 97.47 '#0053d6' +ASN A 1 670 98.32 '#0053d6' +LEU A 1 671 98.49 '#0053d6' +LEU A 1 672 98.41 '#0053d6' +ARG A 1 673 98.07 '#0053d6' +ILE A 1 674 98.75 '#0053d6' +LEU A 1 675 98.34 '#0053d6' +ASN A 1 676 98.02 '#0053d6' +LYS A 1 677 97.87 '#0053d6' +LEU A 1 678 97.92 '#0053d6' +THR A 1 679 96.08 '#0053d6' +LYS A 1 680 92.74 '#0053d6' +TRP A 1 681 84.67 '#65cbf3' +LYS A 1 682 91.66 '#0053d6' +HIS A 1 683 90.61 '#0053d6' +SER A 1 684 91.40 '#0053d6' +ARG A 1 685 94.27 '#0053d6' +THR A 1 686 94.32 '#0053d6' +MET A 1 687 91.56 '#0053d6' +MET A 1 688 93.04 '#0053d6' +LEU A 1 689 94.99 '#0053d6' +VAL A 1 690 93.18 '#0053d6' +VAL A 1 691 91.75 '#0053d6' +PHE A 1 692 94.21 '#0053d6' +LYS A 1 693 95.18 '#0053d6' +SER A 1 694 96.94 '#0053d6' +ALA A 1 695 96.37 '#0053d6' +PRO A 1 696 95.58 '#0053d6' +ILE A 1 697 96.61 '#0053d6' +LEU A 1 698 97.16 '#0053d6' +LYS A 1 699 94.86 '#0053d6' +ARG A 1 700 93.66 '#0053d6' +ALA A 1 701 94.99 '#0053d6' +LEU A 1 702 94.37 '#0053d6' +LYS A 1 703 91.24 '#0053d6' +VAL A 1 704 92.16 '#0053d6' +LYS A 1 705 89.74 '#65cbf3' +GLN A 1 706 91.72 '#0053d6' +ALA A 1 707 91.17 '#0053d6' +MET A 1 708 92.91 '#0053d6' +MET A 1 709 94.87 '#0053d6' +GLN A 1 710 95.02 '#0053d6' +LEU A 1 711 94.93 '#0053d6' +TYR A 1 712 96.76 '#0053d6' +VAL A 1 713 97.63 '#0053d6' +LEU A 1 714 96.75 '#0053d6' +LYS A 1 715 95.90 '#0053d6' +LEU A 1 716 97.30 '#0053d6' +LEU A 1 717 96.21 '#0053d6' +LYS A 1 718 94.81 '#0053d6' +VAL A 1 719 92.82 '#0053d6' +GLN A 1 720 93.77 '#0053d6' +THR A 1 721 92.73 '#0053d6' +LYS A 1 722 88.90 '#65cbf3' +TYR A 1 723 90.77 '#0053d6' +LEU A 1 724 91.15 '#0053d6' +GLY A 1 725 88.43 '#65cbf3' +ARG A 1 726 89.23 '#65cbf3' +GLN A 1 727 89.50 '#65cbf3' +TRP A 1 728 91.85 '#0053d6' +ARG A 1 729 91.70 '#0053d6' +LYS A 1 730 91.48 '#0053d6' +SER A 1 731 93.05 '#0053d6' +ASN A 1 732 94.07 '#0053d6' +MET A 1 733 91.98 '#0053d6' +LYS A 1 734 91.81 '#0053d6' +THR A 1 735 93.94 '#0053d6' +MET A 1 736 93.58 '#0053d6' +SER A 1 737 92.68 '#0053d6' +ALA A 1 738 92.73 '#0053d6' +ILE A 1 739 93.77 '#0053d6' +TYR A 1 740 90.91 '#0053d6' +GLN A 1 741 90.08 '#0053d6' +LYS A 1 742 90.43 '#0053d6' +VAL A 1 743 92.20 '#0053d6' +ARG A 1 744 89.87 '#65cbf3' +HIS A 1 745 85.05 '#65cbf3' +ARG A 1 746 82.40 '#65cbf3' +LEU A 1 747 81.03 '#65cbf3' +ASN A 1 748 77.03 '#65cbf3' +ASP A 1 749 77.35 '#65cbf3' +ASP A 1 750 81.84 '#65cbf3' +TRP A 1 751 86.75 '#65cbf3' +ALA A 1 752 85.31 '#65cbf3' +TYR A 1 753 84.47 '#65cbf3' +GLY A 1 754 78.84 '#65cbf3' +ASN A 1 755 81.96 '#65cbf3' +ASP A 1 756 83.06 '#65cbf3' +LEU A 1 757 80.04 '#65cbf3' +ASP A 1 758 83.10 '#65cbf3' +ALA A 1 759 84.15 '#65cbf3' +ARG A 1 760 82.49 '#65cbf3' +PRO A 1 761 75.75 '#65cbf3' +TRP A 1 762 78.50 '#65cbf3' +ASP A 1 763 81.94 '#65cbf3' +PHE A 1 764 84.47 '#65cbf3' +GLN A 1 765 84.00 '#65cbf3' +ALA A 1 766 88.74 '#65cbf3' +GLU A 1 767 89.03 '#65cbf3' +GLU A 1 768 89.86 '#65cbf3' +CYS A 1 769 91.12 '#0053d6' +ALA A 1 770 92.78 '#0053d6' +LEU A 1 771 93.84 '#0053d6' +ARG A 1 772 93.56 '#0053d6' +ALA A 1 773 93.49 '#0053d6' +ASN A 1 774 95.30 '#0053d6' +ILE A 1 775 95.23 '#0053d6' +GLU A 1 776 92.23 '#0053d6' +ARG A 1 777 90.25 '#0053d6' +PHE A 1 778 93.06 '#0053d6' +ASN A 1 779 93.15 '#0053d6' +ALA A 1 780 87.77 '#65cbf3' +ARG A 1 781 87.41 '#65cbf3' +ARG A 1 782 89.15 '#65cbf3' +TYR A 1 783 90.26 '#0053d6' +ASP A 1 784 82.26 '#65cbf3' +ARG A 1 785 63.50 '#ffdb13' +ALA A 1 786 56.30 '#ffdb13' +HIS A 1 787 52.15 '#ffdb13' +SER A 1 788 54.35 '#ffdb13' +ASN A 1 789 54.67 '#ffdb13' +PRO A 1 790 57.02 '#ffdb13' +ASP A 1 791 54.96 '#ffdb13' +PHE A 1 792 55.25 '#ffdb13' +LEU A 1 793 61.15 '#ffdb13' +PRO A 1 794 60.31 '#ffdb13' +VAL A 1 795 65.23 '#ffdb13' +ASP A 1 796 68.75 '#ffdb13' +ASN A 1 797 74.33 '#65cbf3' +CYS A 1 798 80.43 '#65cbf3' +LEU A 1 799 75.49 '#65cbf3' +GLN A 1 800 78.58 '#65cbf3' +SER A 1 801 78.85 '#65cbf3' +VAL A 1 802 76.37 '#65cbf3' +LEU A 1 803 74.00 '#65cbf3' +GLY A 1 804 76.91 '#65cbf3' +GLN A 1 805 75.60 '#65cbf3' +ARG A 1 806 72.27 '#65cbf3' +VAL A 1 807 74.30 '#65cbf3' +ASP A 1 808 72.64 '#65cbf3' +LEU A 1 809 77.63 '#65cbf3' +PRO A 1 810 80.56 '#65cbf3' +GLU A 1 811 79.65 '#65cbf3' +ASP A 1 812 83.58 '#65cbf3' +PHE A 1 813 84.54 '#65cbf3' +GLN A 1 814 78.72 '#65cbf3' +MET A 1 815 83.12 '#65cbf3' +ASN A 1 816 87.75 '#65cbf3' +TYR A 1 817 86.49 '#65cbf3' +ASP A 1 818 87.05 '#65cbf3' +LEU A 1 819 86.85 '#65cbf3' +TRP A 1 820 87.63 '#65cbf3' +LEU A 1 821 85.11 '#65cbf3' +GLU A 1 822 87.33 '#65cbf3' +ARG A 1 823 84.98 '#65cbf3' +GLU A 1 824 80.73 '#65cbf3' +VAL A 1 825 81.18 '#65cbf3' +PHE A 1 826 82.60 '#65cbf3' +SER A 1 827 79.90 '#65cbf3' +LYS A 1 828 75.07 '#65cbf3' +PRO A 1 829 72.54 '#65cbf3' +ILE A 1 830 68.64 '#ffdb13' +SER A 1 831 68.81 '#ffdb13' +TRP A 1 832 69.41 '#ffdb13' +GLU A 1 833 70.52 '#65cbf3' +GLU A 1 834 64.40 '#ffdb13' +LEU A 1 835 58.23 '#ffdb13' +LEU A 1 836 57.54 '#ffdb13' +GLN A 1 837 42.32 '#ff7d45' diff --git a/tests/mol-spec-data/README.md b/tests/mol-spec-data/README.md new file mode 100644 index 0000000..5b00e99 --- /dev/null +++ b/tests/mol-spec-data/README.md @@ -0,0 +1,15 @@ +# Example Annotations + +- Each folder is supposed to represent a single entry with annotations + - `molecule.cif` should be present with the source molecule +- Annotations can be either in: + - CIF format, a separate `annotations.cif` file WITHOUT the `data_` header (it gets added on the fly) + - JSON format, a single file for each annotation + +## Endpoints + +- `/api/v1/examples/data/{id}/molecule` Returns CIF file with `molecule.cif` +- `/api/v1/examples/data/{id}/cif-annotations` Returns CIF file with `annotations.cif`, includes `data_{id}_annotations` to the top +- `/api/v1/examples/data/{id}/molecule-and-cif-annotations` Return a concatenation of `molecule.cif` and `annotations.cif` +- `/api/v1/examples/data/{id}/json-annotations` Lists all `.json` file names in the folder +- `/api/v1/examples/data/{id}/json/{name}` Returns `{name}.json` from the given folder \ No newline at end of file From 5abe75a4decffbae34b73b2ea94fa92bed80ee33 Mon Sep 17 00:00:00 2001 From: Zachary Charlop-Powers Date: Sat, 20 Jul 2024 12:13:45 -0400 Subject: [PATCH 5/8] fix docstring --- src/lib.rs | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/lib.rs b/src/lib.rs index 98bc8a3..7fe5e33 100644 --- a/src/lib.rs +++ b/src/lib.rs @@ -11,8 +11,8 @@ //! ## Usage //! //! ```rust -//! use pymolparsing::psedata::PSEData; -//! let pse_data = PSEData::load("path/to/file.pse"); +//! use pseutils::psedata::PSEData; +//! let psedata = PSEData::load("path/to/file.pse"); //! // Work with the loaded PSE data //! psedata.to_disk_full("my_output_directory"); //! ``` From 28aef363f0bf767f0f1aff0e2cb2ec9192832f96 Mon Sep 17 00:00:00 2001 From: Zachary Charlop-Powers Date: Sat, 20 Jul 2024 12:15:23 -0400 Subject: [PATCH 6/8] dontrun --- src/lib.rs | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/lib.rs b/src/lib.rs index 7fe5e33..0bd24a8 100644 --- a/src/lib.rs +++ b/src/lib.rs @@ -10,7 +10,7 @@ //! //! ## Usage //! -//! ```rust +//! ```no_run //! use pseutils::psedata::PSEData; //! let psedata = PSEData::load("path/to/file.pse"); //! // Work with the loaded PSE data From e8a29a11c1b2618fe462243bb7ab81d6526b074a Mon Sep 17 00:00:00 2001 From: Zachary Charlop-Powers Date: Sat, 20 Jul 2024 12:16:03 -0400 Subject: [PATCH 7/8] fix path --- src/lib.rs | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/lib.rs b/src/lib.rs index 0bd24a8..fbf3722 100644 --- a/src/lib.rs +++ b/src/lib.rs @@ -11,7 +11,7 @@ //! ## Usage //! //! ```no_run -//! use pseutils::psedata::PSEData; +//! use pseutils::pymolparsing::psedata::PSEData; //! let psedata = PSEData::load("path/to/file.pse"); //! // Work with the loaded PSE data //! psedata.to_disk_full("my_output_directory"); From 068ee4fd310866878859ccf66752f9880bd1d3a5 Mon Sep 17 00:00:00 2001 From: Zachary Charlop-Powers Date: Sat, 20 Jul 2024 12:19:16 -0400 Subject: [PATCH 8/8] fix expect errors --- src/lib.rs | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/lib.rs b/src/lib.rs index fbf3722..2b26b8f 100644 --- a/src/lib.rs +++ b/src/lib.rs @@ -12,7 +12,7 @@ //! //! ```no_run //! use pseutils::pymolparsing::psedata::PSEData; -//! let psedata = PSEData::load("path/to/file.pse"); +//! let psedata = PSEData::load("path/to/file.pse").expect("local pse path"); //! // Work with the loaded PSE data //! psedata.to_disk_full("my_output_directory"); //! ```