diff --git a/README.md b/README.md index 2a8d82151..8a02419fa 100644 --- a/README.md +++ b/README.md @@ -2,7 +2,6 @@ drawing - [![Version](https://vsmarketplacebadge.apphb.com/version/ArianJamasb.protein-viewer.svg?color=blue&style=?style=for-the-badge&logo=visual-studio-code)](https://marketplace.visualstudio.com/items?itemName=ArianJamasb.protein-viewer) [![vscode last updated](https://img.shields.io/visual-studio-marketplace/last-updated/ArianJamasb.protein-viewer)](https://marketplace.visualstudio.com/items?itemName=ArianJamasb.protein-viewer) [![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/MIT) @@ -10,13 +9,12 @@ [![vscode downloads](https://img.shields.io/visual-studio-marketplace/i/ArianJamasb.protein-viewer)](https://marketplace.visualstudio.com/items?itemName=ArianJamasb.protein-viewer) [![Downloads](https://vsmarketplacebadge.apphb.com/downloads/ArianJamasb.protein-viewer.svg?color=orange)](https://marketplace.visualstudio.com/items?itemName=ArianJamasb.protein-viewer) [![Trending-Weekly](https://vsmarketplacebadge.apphb.com/trending-weekly/ArianJamasb.protein-viewer.svg?logo=tinder&logoColor=white&label=trending%20weekly)](https://marketplace.visualstudio.com/items?itemName=ArianJamasb.protein-viewer) [![Trending-Monthly](https://vsmarketplacebadge.apphb.com/trending-monthly/ArianJamasb.protein-viewer.svg?logo=tinder&logoColor=white&label=monthly)](https://marketplace.visualstudio.com/items?itemName=ArianJamasb.protein-viewer) - VSCoding Sequence allows for visualisation of protein structures and molecular data in the editor, courtesy of the fantastic [Mol*](https://molstar.org/) - πŸ“š [Viewer Docs](https://molstar.org/viewer-docs/) | [Mol* Docs](https://molstar.org/docs/) ## πŸ“¦ Features + ### πŸ“₯ Loading a Protein Structure from the [PDB](https://www.rcsb.org/) or [AlphaFoldDB](https://alphafold.ebi.ac.uk/) ![Usage gif](img/usage.gif) @@ -42,20 +40,23 @@ Right-click on the file or selection of files in the file editor and select `Lau * `.sdf` ### πŸ“‚ Loading a Local Folder + ![Local folder usage gif](img/local_folder.gif) Right-click on the folder in the file explorer and select `Launch Protein Viewer from Folder` ## βš™οΈ Usage + *The below is taken from the [Mol\* viewer docs](https://molstar.org/viewer-docs/) which is based on the [RCSB PDB mol* documentation](https://www.rcsb.org/3d-view/molstar/help/getting-started) thanks to the generosity of [RCSB PDB](https://www.rcsb.org/) and Dr. Shuchismita Dutta.* + ### 🌎 Interface + ![Viewer Layout](https://molstar.org/viewer-docs/img/generalinterface3.png) **3D Canvas**: This is the space where a PDB structure is displayed for manipulation in three dimensions (3D). It is located on the left side of the screen. **Toggle Menu**: This menu provides users quick access to some commonly used operations for the 3D canvas. It is located towards the right side of the 3D canvas and has the following functions. - | Function | Description | Icon | |---|---|---| |Reset Camera | Centers and resets the view of the structure on the 3D canvas | ![Rest Camera Icon](https://molstar.org/viewer-docs/img/resetcameraicon.png) | @@ -68,6 +69,7 @@ Right-click on the folder in the file explorer and select `Launch Protein Viewer **[Sequence Panel](https://molstar.org/viewer-docs/navigating-by-sequence/#sequence-panel)**: This menu displays the polymer sequences of macromolecules (proteins and nucleic acids) present in the uploaded PDB structures. In addition, it provides quick access to any small molecular ligands or entities present in the structure(s). It is located at the top of the screen above the 3D Canvas. **[Controls Panel](https://molstar.org/viewer-docs/managing-the-display/#controls-panel)**: This menu has the following panels for structure manipulation. It is located at the right side of the screen. + * [Structure](https://molstar.org/viewer-docs/managing-the-display/#structure-panel) * [Measurements](https://molstar.org/viewer-docs/managing-the-display/#measurements-panel) * [Components](https://molstar.org/viewer-docs/managing-the-display/#components-panel) @@ -80,6 +82,7 @@ Right-click on the folder in the file explorer and select `Launch Protein Viewer **Log Panel**: This panel shows various logs containing information about actions taken while viewing the structure. This is located at the bottom of the screen below the 3D Canvas. ### 🐭 Mouse Controls + All the interactions with the molecule(s) uploaded in Mol* require using mouse controls (in the 3D canvas). These controls allow the user to manipulate the view of structures via a variety of functions such as rotating, translating, zooming, and clipping the structures. When not specified, a β€œclick” refers to pressing the left mouse button or tapping a single finger on a touchscreen. If an action is available for the right mouse button, it can also be completed by using the Control button + left mouse button. The general mouse controls are listed below: * **Rotate**: click the left mouse button and move. Alternatively, use the Shift button + left mouse button and drag to rotate the canvas. @@ -96,39 +99,55 @@ As you interact with the structure using the mouse, Mol* contains two modes for * **[Selection Mode](https://molstar.org/viewer-docs/making-selections/#selection-mode)**: A click on a residue (or any object in 3D) will select it. What exactly will be selected depends on the value of the [Picking Level](https://molstar.org/viewer-docs/making-selections/#picking-level). Selected parts of the structure will appear with a bright green tint in the 3D canvas and in the [Sequence Panel](https://molstar.org/viewer-docs/navigating-by-sequence/#sequence-panel). When selecting polymers with the Picking Level set to β€œresidue,” holding the Shift key while clicking will extend the selection along the polymer from the last clicked residue on. Clicking on any point in the 3D canvas that has no atom will clear the selection. ## 🧲 Installation + * The extension can be downloaded/installed from the [VSCode marketplace](https://marketplace.visualstudio.com/items?itemName=ArianJamasb.protein-viewer) * Altenatively, enter `⌘ + ⇧ + x` in VSCode and search for `Protein Viewer` - ## πŸ“¬ Community + ### Support + Need help? Please [open an issue](https://github.com/a-r-j/vscoding-sequence/issues/new/choose) for support. ### Discussion + Find me on twitter: [@arian_jamasb](https://twitter.com/arian_jamasb) or drop me an email: [arian@jamasb.io](mailto:arian@jamasb.io) ## πŸŒͺ️ Change log +### 0.1.0 + +Adds support for folding sequences via ESMFold +Bumps Mol* to 3.23.0 + ### 0.0.8 + Adds support for Mol* 3.0.2 to enable viewing of AF2 structures. ### 0.0.7 + README Fixes. + ### 0.0.6 + Fixes README emoji shortcodes + ### 0.0.5 -* Adds ability to launch a viewer from a selection of multiple supported files. +* Adds ability to launch a viewer from a selection of multiple supported files. ### 0.0.4 + * Adds support to open folders from explorer ### 0.0.3 + * Update docs & package metadata * Fixes issue that viewer would autorefresh and lose state when switching between views. Adds support for additional filetypes: + * `.pdbqt` * `.mmcif` * `.gro` @@ -136,6 +155,7 @@ Adds support for additional filetypes: * `.cif` Adds support for molecules: + * `.mol` * `.mol2` * `.sdf` diff --git a/src/panels/ProteinViewerPanel.ts b/src/panels/ProteinViewerPanel.ts index 735781b7e..012a445a3 100644 --- a/src/panels/ProteinViewerPanel.ts +++ b/src/panels/ProteinViewerPanel.ts @@ -177,7 +177,7 @@ export class ProteinViewerPanel { const cssUri = webview.asWebviewUri(vscode.Uri.joinPath(extensionUri, 'node_modules', 'molstar', 'build/viewer', 'molstar.css')); const jsUri = webview.asWebviewUri(vscode.Uri.joinPath(extensionUri, 'node_modules', 'molstar', 'build/viewer', 'molstar.js')); const pdbContents = clickedFiles.map((clickedFile) => webview.asWebviewUri(clickedFile)); - const extensions = clickedFiles.map((clickedFile) => clickedFile.path.split('.').pop()); + const extensions = clickedFiles.map((clickedFile) => clickedFile.path.split('.').pop()?.toLocaleLowerCase()); let loadCommands: String[] = []; for (let i = 0; i < pdbContents.length; i++) { const pdbContent = pdbContents[i]; diff --git a/test_files/3eiy.MMCIF b/test_files/3eiy.MMCIF new file mode 100644 index 000000000..a1ed8eecd --- /dev/null +++ b/test_files/3eiy.MMCIF @@ -0,0 +1,3181 @@ +data_3EIY +# +_entry.id 3EIY +# +_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 3EIY +RCSB RCSB049380 +WWPDB D_1000049380 +# +loop_ +_pdbx_database_related.db_name +_pdbx_database_related.db_id +_pdbx_database_related.details +_pdbx_database_related.content_type +TargetDB BupsA.00023.a . unspecified +PDB 3d63 +;The same protein, "open" conformation, apo form, in space group P21212 +; +unspecified +PDB 3EIZ . unspecified +PDB 3EJ0 . unspecified +PDB 3EJ2 . unspecified +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 3EIY +_pdbx_database_status.recvd_initial_deposition_date 2008-09-17 +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.SG_entry Y +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.pdb_format_compatible Y +# +_audit_author.name 'Seattle Structural Genomics Center for Infectious Disease (SSGCID)' +_audit_author.pdbx_ordinal 1 +# +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 'The role of medical structural genomics in discovering new drugs for infectious diseases.' 'PLoS Comput Biol' 5 +e1000530 e1000530 2009 ? US 1553-734X 0353 ? 19855826 10.1371/journal.pcbi.1000530 +1 'Combining functional and structural genomics to sample the essential Burkholderia structome.' 'Plos One' 8 e53851 +e53851 2013 ? US 1932-6203 ? ? 23382856 10.1371/journal.pone.0053851 +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Van Voorhis, W.C.' 1 +primary 'Hol, W.G.' 2 +primary 'Myler, P.J.' 3 +primary 'Stewart, L.J.' 4 +1 'Baugh, L.' 5 +1 'Gallagher, L.A.' 6 +1 'Patrapuvich, R.' 7 +1 'Clifton, M.C.' 8 +1 'Gardberg, A.S.' 9 +1 'Edwards, T.E.' 10 +1 'Armour, B.' 11 +1 'Begley, D.W.' 12 +1 'Dieterich, S.H.' 13 +1 'Dranow, D.M.' 14 +1 'Abendroth, J.' 15 +1 'Fairman, J.W.' 16 +1 'Fox, D.' 17 +1 'Staker, B.L.' 18 +1 'Phan, I.' 19 +1 'Gillespie, A.' 20 +1 'Choi, R.' 21 +1 'Nakazawa-Hewitt, S.' 22 +1 'Nguyen, M.T.' 23 +1 'Napuli, A.' 24 +1 'Barrett, L.' 25 +1 'Buchko, G.W.' 26 +1 'Stacy, R.' 27 +1 'Myler, P.J.' 28 +1 'Stewart, L.J.' 29 +1 'Manoil, C.' 30 +1 'Van Voorhis, W.C.' 31 +# +_cell.entry_id 3EIY +_cell.length_a 100.952 +_cell.length_b 100.952 +_cell.length_c 111.233 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 120.00 +_cell.Z_PDB 12 +_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 3EIY +_symmetry.space_group_name_H-M 'P 63 2 2' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 182 +_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 'Inorganic pyrophosphatase' 21473.625 1 3.6.1.1 ? ? ? +2 non-polymer syn 'POTASSIUM ION' 39.098 1 ? ? ? ? +3 non-polymer syn 'SODIUM ION' 22.990 2 ? ? ? ? +4 non-polymer syn 'PYROPHOSPHATE 2-' 175.959 1 ? ? ? ? +5 non-polymer syn 'TETRAETHYLENE GLYCOL' 194.226 1 ? ? ? ? +6 non-polymer syn 'DI(HYDROXYETHYL)ETHER' 106.120 2 ? ? ? ? +7 water nat water 18.015 112 ? ? ? ? +# +_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 +;MAHHHHHHMGTLEAQTQGPGSMSFSNVPAGKDLPQDFNVIIEIPAQSEPVKYEADKALGLLVVDRFIGTGMRYPVNYGFI +PQTLSGDGDPVDVLVITPFPLLAGSVVRARALGMLKMTDESGVDAKLVAVPHDKVCPMTANLKSIDDVPAYLKDQIKHFF +EQYKALEKGKWVKVEGWDGIDAAHKEITDGVANFKK +; +_entity_poly.pdbx_seq_one_letter_code_can +;MAHHHHHHMGTLEAQTQGPGSMSFSNVPAGKDLPQDFNVIIEIPAQSEPVKYEADKALGLLVVDRFIGTGMRYPVNYGFI +PQTLSGDGDPVDVLVITPFPLLAGSVVRARALGMLKMTDESGVDAKLVAVPHDKVCPMTANLKSIDDVPAYLKDQIKHFF +EQYKALEKGKWVKVEGWDGIDAAHKEITDGVANFKK +; +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier BupsA.00023.a +# +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 HIS n +1 4 HIS n +1 5 HIS n +1 6 HIS n +1 7 HIS n +1 8 HIS n +1 9 MET n +1 10 GLY n +1 11 THR n +1 12 LEU n +1 13 GLU n +1 14 ALA n +1 15 GLN n +1 16 THR n +1 17 GLN n +1 18 GLY n +1 19 PRO n +1 20 GLY n +1 21 SER n +1 22 MET n +1 23 SER n +1 24 PHE n +1 25 SER n +1 26 ASN n +1 27 VAL n +1 28 PRO n +1 29 ALA n +1 30 GLY n +1 31 LYS n +1 32 ASP n +1 33 LEU n +1 34 PRO n +1 35 GLN n +1 36 ASP n +1 37 PHE n +1 38 ASN n +1 39 VAL n +1 40 ILE n +1 41 ILE n +1 42 GLU n +1 43 ILE n +1 44 PRO n +1 45 ALA n +1 46 GLN n +1 47 SER n +1 48 GLU n +1 49 PRO n +1 50 VAL n +1 51 LYS n +1 52 TYR n +1 53 GLU n +1 54 ALA n +1 55 ASP n +1 56 LYS n +1 57 ALA n +1 58 LEU n +1 59 GLY n +1 60 LEU n +1 61 LEU n +1 62 VAL n +1 63 VAL n +1 64 ASP n +1 65 ARG n +1 66 PHE n +1 67 ILE n +1 68 GLY n +1 69 THR n +1 70 GLY n +1 71 MET n +1 72 ARG n +1 73 TYR n +1 74 PRO n +1 75 VAL n +1 76 ASN n +1 77 TYR n +1 78 GLY n +1 79 PHE n +1 80 ILE n +1 81 PRO n +1 82 GLN n +1 83 THR n +1 84 LEU n +1 85 SER n +1 86 GLY n +1 87 ASP n +1 88 GLY n +1 89 ASP n +1 90 PRO n +1 91 VAL n +1 92 ASP n +1 93 VAL n +1 94 LEU n +1 95 VAL n +1 96 ILE n +1 97 THR n +1 98 PRO n +1 99 PHE n +1 100 PRO n +1 101 LEU n +1 102 LEU n +1 103 ALA n +1 104 GLY n +1 105 SER n +1 106 VAL n +1 107 VAL n +1 108 ARG n +1 109 ALA n +1 110 ARG n +1 111 ALA n +1 112 LEU n +1 113 GLY n +1 114 MET n +1 115 LEU n +1 116 LYS n +1 117 MET n +1 118 THR n +1 119 ASP n +1 120 GLU n +1 121 SER n +1 122 GLY n +1 123 VAL n +1 124 ASP n +1 125 ALA n +1 126 LYS n +1 127 LEU n +1 128 VAL n +1 129 ALA n +1 130 VAL n +1 131 PRO n +1 132 HIS n +1 133 ASP n +1 134 LYS n +1 135 VAL n +1 136 CYS n +1 137 PRO n +1 138 MET n +1 139 THR n +1 140 ALA n +1 141 ASN n +1 142 LEU n +1 143 LYS n +1 144 SER n +1 145 ILE n +1 146 ASP n +1 147 ASP n +1 148 VAL n +1 149 PRO n +1 150 ALA n +1 151 TYR n +1 152 LEU n +1 153 LYS n +1 154 ASP n +1 155 GLN n +1 156 ILE n +1 157 LYS n +1 158 HIS n +1 159 PHE n +1 160 PHE n +1 161 GLU n +1 162 GLN n +1 163 TYR n +1 164 LYS n +1 165 ALA n +1 166 LEU n +1 167 GLU n +1 168 LYS n +1 169 GLY n +1 170 LYS n +1 171 TRP n +1 172 VAL n +1 173 LYS n +1 174 VAL n +1 175 GLU n +1 176 GLY n +1 177 TRP n +1 178 ASP n +1 179 GLY n +1 180 ILE n +1 181 ASP n +1 182 ALA n +1 183 ALA n +1 184 HIS n +1 185 LYS n +1 186 GLU n +1 187 ILE n +1 188 THR n +1 189 ASP n +1 190 GLY n +1 191 VAL n +1 192 ALA n +1 193 ASN n +1 194 PHE n +1 195 LYS n +1 196 LYS 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 ? +_entity_src_gen.gene_src_genus ? +_entity_src_gen.pdbx_gene_src_gene 'ppa, BURPS1710b_1237' +_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 'Burkholderia pseudomallei 1710b' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 320372 +_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 ? +_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 '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 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 AVA0421 +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code Q3JUV5_BURP1 +_struct_ref.pdbx_db_accession Q3JUV5 +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code +;MSFSNVPAGKDLPQDFNVIIEIPAQSEPVKYEADKALGLLVVDRFIGTGMRYPVNYGFIPQTLSGDGDPVDVLVITPFPL +LAGSVVRARALGMLKMTDESGVDAKLVAVPHDKVCPMTANLKSIDDVPAYLKDQIKHFFEQYKALEKGKWVKVEGWDGID +AAHKEITDGVANFKK +; +_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 3EIY +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 22 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 196 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession Q3JUV5 +_struct_ref_seq.db_align_beg 1 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 175 +_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 175 +# +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 3EIY MET A 1 ? UNP Q3JUV5 ? ? 'expression tag' -20 1 +1 3EIY ALA A 2 ? UNP Q3JUV5 ? ? 'expression tag' -19 2 +1 3EIY HIS A 3 ? UNP Q3JUV5 ? ? 'expression tag' -18 3 +1 3EIY HIS A 4 ? UNP Q3JUV5 ? ? 'expression tag' -17 4 +1 3EIY HIS A 5 ? UNP Q3JUV5 ? ? 'expression tag' -16 5 +1 3EIY HIS A 6 ? UNP Q3JUV5 ? ? 'expression tag' -15 6 +1 3EIY HIS A 7 ? UNP Q3JUV5 ? ? 'expression tag' -14 7 +1 3EIY HIS A 8 ? UNP Q3JUV5 ? ? 'expression tag' -13 8 +1 3EIY MET A 9 ? UNP Q3JUV5 ? ? 'expression tag' -12 9 +1 3EIY GLY A 10 ? UNP Q3JUV5 ? ? 'expression tag' -11 10 +1 3EIY THR A 11 ? UNP Q3JUV5 ? ? 'expression tag' -10 11 +1 3EIY LEU A 12 ? UNP Q3JUV5 ? ? 'expression tag' -9 12 +1 3EIY GLU A 13 ? UNP Q3JUV5 ? ? 'expression tag' -8 13 +1 3EIY ALA A 14 ? UNP Q3JUV5 ? ? 'expression tag' -7 14 +1 3EIY GLN A 15 ? UNP Q3JUV5 ? ? 'expression tag' -6 15 +1 3EIY THR A 16 ? UNP Q3JUV5 ? ? 'expression tag' -5 16 +1 3EIY GLN A 17 ? UNP Q3JUV5 ? ? 'expression tag' -4 17 +1 3EIY GLY A 18 ? UNP Q3JUV5 ? ? 'expression tag' -3 18 +1 3EIY PRO A 19 ? UNP Q3JUV5 ? ? 'expression tag' -2 19 +1 3EIY GLY A 20 ? UNP Q3JUV5 ? ? 'expression tag' -1 20 +1 3EIY SER A 21 ? UNP Q3JUV5 ? ? 'expression tag' 0 21 +# +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 +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 +K non-polymer . 'POTASSIUM ION' ? 'K 1' 39.098 +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 +NA non-polymer . 'SODIUM ION' ? 'Na 1' 22.990 +PEG non-polymer . 'DI(HYDROXYETHYL)ETHER' ? 'C4 H10 O3' 106.120 +PG4 non-polymer . 'TETRAETHYLENE GLYCOL' ? 'C8 H18 O5' 194.226 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +POP non-polymer . 'PYROPHOSPHATE 2-' ? 'H2 O7 P2 -2' 175.959 +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 3EIY +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 3.81 +_exptl_crystal.density_percent_sol 67.71 +_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 289 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pH 6.30 +_exptl_crystal_grow.pdbx_details +'100 MM NA/K PHOSPHATE, PH 6.3, 49.5% PEG 200. CRYSTAL 3 MONTHS OLD., pH 6.30, VAPOR DIFFUSION, SITTING DROP, temperature 289K' +_exptl_crystal_grow.pdbx_pH_range ? +# +_diffrn.id 1 +_diffrn.ambient_temp 100.0 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type 'RIGAKU SATURN 944' +_diffrn_detector.pdbx_collection_date 2008-09-04 +_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 ? +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 1.5418 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source 'ROTATING ANODE' +_diffrn_source.type 'RIGAKU MICROMAX-007 HF' +_diffrn_source.pdbx_synchrotron_site ? +_diffrn_source.pdbx_synchrotron_beamline ? +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_wavelength_list 1.5418 +# +_reflns.entry_id 3EIY +_reflns.observed_criterion_sigma_I ? +_reflns.observed_criterion_sigma_F ? +_reflns.d_resolution_low 50.000 +_reflns.d_resolution_high 2.100 +_reflns.number_obs 19792 +_reflns.number_all ? +_reflns.percent_possible_obs 98.7 +_reflns.pdbx_Rmerge_I_obs 0.10300 +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI 8.9000 +_reflns.B_iso_Wilson_estimate ? +_reflns.pdbx_redundancy 3.600 +_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 2.10 +_reflns_shell.d_res_low 2.18 +_reflns_shell.percent_possible_all 98.5 +_reflns_shell.Rmerge_I_obs 0.66900 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.meanI_over_sigI_obs ? +_reflns_shell.pdbx_redundancy 2.70 +_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 3EIY +_refine.ls_number_reflns_obs 19547 +_refine.ls_number_reflns_all ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 0.000 +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_d_res_low 50.000 +_refine.ls_d_res_high 2.10 +_refine.ls_percent_reflns_obs ? +_refine.ls_R_factor_obs 0.213 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_R_work 0.211 +_refine.ls_R_factor_R_free 0.249 +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free 5.100 +_refine.ls_number_reflns_R_free 991 +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.correlation_coeff_Fo_to_Fc 0.948 +_refine.correlation_coeff_Fo_to_Fc_free 0.929 +_refine.B_iso_mean 30.12 +_refine.aniso_B[1][1] 0.80000 +_refine.aniso_B[2][2] 0.80000 +_refine.aniso_B[3][3] -1.21000 +_refine.aniso_B[1][2] 0.40000 +_refine.aniso_B[1][3] 0.00000 +_refine.aniso_B[2][3] 0.00000 +_refine.solvent_model_details MASK +_refine.solvent_model_param_ksol ? +_refine.solvent_model_param_bsol ? +_refine.pdbx_solvent_vdw_probe_radii 1.20 +_refine.pdbx_solvent_ion_probe_radii 0.80 +_refine.pdbx_solvent_shrinkage_radii 0.80 +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' +_refine.pdbx_starting_model ? +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_overall_ESU_R 0.156 +_refine.pdbx_overall_ESU_R_Free 0.152 +_refine.overall_SU_ML 0.110 +_refine.overall_SU_B 4.164 +_refine.ls_redundancy_reflns_obs ? +_refine.B_iso_min ? +_refine.B_iso_max ? +_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_overall_phase_error ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_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 1330 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 39 +_refine_hist.number_atoms_solvent 112 +_refine_hist.number_atoms_total 1481 +_refine_hist.d_res_high 2.10 +_refine_hist.d_res_low 50.000 +# +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 +r_bond_refined_d 0.015 0.022 ? 1393 'X-RAY DIFFRACTION' ? +r_angle_refined_deg 1.460 1.994 ? 1886 'X-RAY DIFFRACTION' ? +r_dihedral_angle_1_deg 5.857 5.000 ? 173 'X-RAY DIFFRACTION' ? +r_dihedral_angle_2_deg 32.570 25.357 ? 56 'X-RAY DIFFRACTION' ? +r_dihedral_angle_3_deg 15.203 15.000 ? 222 'X-RAY DIFFRACTION' ? +r_dihedral_angle_4_deg 18.890 15.000 ? 4 'X-RAY DIFFRACTION' ? +r_chiral_restr 0.092 0.200 ? 209 'X-RAY DIFFRACTION' ? +r_gen_planes_refined 0.007 0.021 ? 1034 'X-RAY DIFFRACTION' ? +r_mcbond_it 0.890 1.500 ? 870 'X-RAY DIFFRACTION' ? +r_mcangle_it 1.604 2.000 ? 1408 'X-RAY DIFFRACTION' ? +r_scbond_it 2.198 3.000 ? 523 'X-RAY DIFFRACTION' ? +r_scangle_it 3.551 4.500 ? 478 'X-RAY DIFFRACTION' ? +# +_refine_ls_shell.pdbx_total_number_of_bins_used 20 +_refine_ls_shell.d_res_high 2.10 +_refine_ls_shell.d_res_low 2.15 +_refine_ls_shell.number_reflns_R_work 1250 +_refine_ls_shell.R_factor_R_work 0.3090 +_refine_ls_shell.percent_reflns_obs 90.60 +_refine_ls_shell.R_factor_R_free 0.4070 +_refine_ls_shell.R_factor_R_free_error ? +_refine_ls_shell.percent_reflns_R_free ? +_refine_ls_shell.number_reflns_R_free 71 +_refine_ls_shell.number_reflns_all ? +_refine_ls_shell.R_factor_all ? +_refine_ls_shell.number_reflns_obs ? +_refine_ls_shell.redundancy_reflns_obs ? +_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' +# +_struct.entry_id 3EIY +_struct.title +'Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound pyrophosphate' +_struct.pdbx_descriptor 'Inorganic pyrophosphatase (E.C.3.6.1.1)' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 3EIY +_struct_keywords.pdbx_keywords HYDROLASE +_struct_keywords.text +;structural genomics, SSGCID, pyrophosphatase, Hydrolase, BupsA.00023.a, Seattle Structural Genomics Center for Infectious Disease' +; +# +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 ? +D N N 3 ? +E N N 4 ? +F N N 5 ? +G N N 6 ? +H N N 6 ? +I N N 7 ? +# +_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 SER A 23 ? VAL A 27 ? SER A 2 VAL A 6 5 ? 5 +HELX_P HELX_P2 2 CYS A 136 ? ALA A 140 ? CYS A 115 ALA A 119 5 ? 5 +HELX_P HELX_P3 3 SER A 144 ? VAL A 148 ? SER A 123 VAL A 127 5 ? 5 +HELX_P HELX_P4 4 PRO A 149 ? TYR A 163 ? PRO A 128 TYR A 142 1 ? 15 +HELX_P HELX_P5 5 GLY A 179 ? LYS A 196 ? GLY A 158 LYS A 175 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 ASP 32 OD1 ? ? ? 1_555 B K . K ? ? A ASP 11 A K 176 1_555 ? ? ? ? ? ? ? 2.731 ? +metalc2 metalc ? ? A LEU 33 O ? ? ? 1_555 B K . K ? ? A LEU 12 A K 176 1_555 ? ? ? ? ? ? ? 2.650 ? +metalc3 metalc ? ? A GLN 35 OE1 ? ? ? 1_555 B K . K ? ? A GLN 14 A K 176 1_555 ? ? ? ? ? ? ? 2.922 ? +metalc4 metalc ? ? A ASP 92 OD2 ? ? ? 1_555 D NA . NA ? ? A ASP 71 A NA 178 1_555 ? ? ? ? ? ? ? 2.808 ? +metalc5 metalc ? ? A ASP 119 OD2 ? ? ? 1_555 C NA . NA ? ? A ASP 98 A NA 177 1_555 ? ? ? ? ? ? ? 2.646 ? +metalc6 metalc ? ? A ASP 124 OD1 ? ? ? 1_555 D NA . NA ? ? A ASP 103 A NA 178 1_555 ? ? ? ? ? ? ? 2.529 ? +metalc7 metalc ? ? A ASP 124 OD2 ? ? ? 1_555 C NA . NA ? ? A ASP 103 A NA 177 1_555 ? ? ? ? ? ? ? 2.577 ? +metalc8 metalc ? ? A ALA 125 O ? ? ? 1_555 D NA . NA ? ? A ALA 104 A NA 178 1_555 ? ? ? ? ? ? ? 2.919 ? +metalc9 metalc ? ? C NA . NA ? ? ? 1_555 E POP . O6 ? ? A NA 177 A POP 179 1_555 ? ? ? ? ? ? ? 2.560 ? +metalc10 metalc ? ? C NA . NA ? ? ? 1_555 I HOH . O ? ? A NA 177 A HOH 257 1_555 ? ? ? ? ? ? ? 2.654 ? +metalc11 metalc ? ? C NA . NA ? ? ? 1_555 E POP . O3 ? ? A NA 177 A POP 179 1_555 ? ? ? ? ? ? ? 2.204 ? +metalc12 metalc ? ? C NA . NA ? ? ? 1_555 I HOH . O ? ? A NA 177 A HOH 201 1_555 ? ? ? ? ? ? ? 2.497 ? +metalc13 metalc ? ? D NA . NA ? ? ? 1_555 I HOH . O ? ? A NA 178 A HOH 247 1_555 ? ? ? ? ? ? ? 2.855 ? +metalc14 metalc ? ? D NA . NA ? ? ? 1_555 I HOH . O ? ? A NA 178 A HOH 245 1_555 ? ? ? ? ? ? ? 2.655 ? +metalc15 metalc ? ? D NA . NA ? ? ? 1_555 I HOH . O ? ? A NA 178 A HOH 263 1_555 ? ? ? ? ? ? ? 2.500 ? +# +_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 LEU +_struct_mon_prot_cis.label_seq_id 33 +_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 LEU +_struct_mon_prot_cis.auth_seq_id 12 +_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 34 +_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 13 +_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 -0.44 +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +A ? 7 ? +B ? 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 ? anti-parallel +A 3 4 ? parallel +A 4 5 ? anti-parallel +A 5 6 ? anti-parallel +A 6 7 ? anti-parallel +B 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 172 ? ASP A 178 ? VAL A 151 ASP A 157 +A 2 VAL A 106 ? ASP A 119 ? VAL A 85 ASP A 98 +A 3 GLY A 122 ? PRO A 131 ? GLY A 101 PRO A 110 +A 4 VAL A 91 ? VAL A 95 ? VAL A 70 VAL A 74 +A 5 ASN A 76 ? ILE A 80 ? ASN A 55 ILE A 59 +A 6 PHE A 37 ? ILE A 43 ? PHE A 16 ILE A 22 +A 7 VAL A 106 ? ASP A 119 ? VAL A 85 ASP A 98 +B 1 VAL A 50 ? ASP A 55 ? VAL A 29 ASP A 34 +B 2 LEU A 60 ? PHE A 66 ? LEU A 39 PHE A 45 +# +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 GLY A 176 ? O GLY A 155 N LYS A 116 ? N LYS A 95 +A 2 3 N LEU A 115 ? N LEU A 94 O LYS A 126 ? O LYS A 105 +A 3 4 O ALA A 129 ? O ALA A 108 N LEU A 94 ? N LEU A 73 +A 4 5 O VAL A 93 ? O VAL A 72 N GLY A 78 ? N GLY A 57 +A 5 6 O PHE A 79 ? O PHE A 58 N ILE A 40 ? N ILE A 19 +A 6 7 N PHE A 37 ? N PHE A 16 O ALA A 109 ? O ALA A 88 +B 1 2 N ASP A 55 ? N ASP A 34 O LEU A 60 ? O LEU A 39 +# +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 ? ? ? ? 3 'BINDING SITE FOR RESIDUE K A 176' +AC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NA A 177' +AC3 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NA A 178' +AC4 Software ? ? ? ? 14 'BINDING SITE FOR RESIDUE POP A 179' +AC5 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE PG4 A 180' +AC6 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE PEG A 181' +AC7 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE PEG A 182' +# +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 3 ASP A 32 ? ASP A 11 . ? 1_555 ? +2 AC1 3 LEU A 33 ? LEU A 12 . ? 1_555 ? +3 AC1 3 GLN A 35 ? GLN A 14 . ? 1_555 ? +4 AC2 6 ASP A 119 ? ASP A 98 . ? 1_555 ? +5 AC2 6 ASP A 124 ? ASP A 103 . ? 1_555 ? +6 AC2 6 LYS A 164 ? LYS A 143 . ? 1_555 ? +7 AC2 6 POP E . ? POP A 179 . ? 1_555 ? +8 AC2 6 HOH I . ? HOH A 201 . ? 1_555 ? +9 AC2 6 HOH I . ? HOH A 257 . ? 1_555 ? +10 AC3 7 ASP A 87 ? ASP A 66 . ? 1_555 ? +11 AC3 7 ASP A 92 ? ASP A 71 . ? 1_555 ? +12 AC3 7 ASP A 124 ? ASP A 103 . ? 1_555 ? +13 AC3 7 ALA A 125 ? ALA A 104 . ? 1_555 ? +14 AC3 7 HOH I . ? HOH A 245 . ? 1_555 ? +15 AC3 7 HOH I . ? HOH A 247 . ? 1_555 ? +16 AC3 7 HOH I . ? HOH A 263 . ? 1_555 ? +17 AC4 14 LYS A 51 ? LYS A 30 . ? 1_555 ? +18 AC4 14 ARG A 65 ? ARG A 44 . ? 1_555 ? +19 AC4 14 TYR A 77 ? TYR A 56 . ? 1_555 ? +20 AC4 14 ASP A 124 ? ASP A 103 . ? 1_555 ? +21 AC4 14 LYS A 126 ? LYS A 105 . ? 1_555 ? +22 AC4 14 TYR A 163 ? TYR A 142 . ? 1_555 ? +23 AC4 14 LYS A 164 ? LYS A 143 . ? 1_555 ? +24 AC4 14 NA C . ? NA A 177 . ? 1_555 ? +25 AC4 14 HOH I . ? HOH A 200 . ? 1_555 ? +26 AC4 14 HOH I . ? HOH A 221 . ? 1_555 ? +27 AC4 14 HOH I . ? HOH A 238 . ? 1_555 ? +28 AC4 14 HOH I . ? HOH A 239 . ? 1_555 ? +29 AC4 14 HOH I . ? HOH A 260 . ? 1_555 ? +30 AC4 14 HOH I . ? HOH A 267 . ? 1_555 ? +31 AC5 7 GLY A 30 ? GLY A 9 . ? 7_555 ? +32 AC5 7 LYS A 31 ? LYS A 10 . ? 7_555 ? +33 AC5 7 ASP A 32 ? ASP A 11 . ? 7_555 ? +34 AC5 7 LEU A 33 ? LEU A 12 . ? 7_555 ? +35 AC5 7 GLN A 35 ? GLN A 14 . ? 1_555 ? +36 AC5 7 ASP A 181 ? ASP A 160 . ? 1_555 ? +37 AC5 7 HIS A 184 ? HIS A 163 . ? 1_555 ? +38 AC6 4 LYS A 157 ? LYS A 136 . ? 1_555 ? +39 AC6 4 VAL A 174 ? VAL A 153 . ? 1_555 ? +40 AC6 4 GLU A 175 ? GLU A 154 . ? 1_555 ? +41 AC6 4 TRP A 177 ? TRP A 156 . ? 1_555 ? +42 AC7 3 ARG A 108 ? ARG A 87 . ? 1_555 ? +43 AC7 3 LYS A 134 ? LYS A 113 . ? 1_555 ? +44 AC7 3 VAL A 135 ? VAL A 114 . ? 1_555 ? +# +_database_PDB_matrix.entry_id 3EIY +_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 3EIY +_atom_sites.fract_transf_matrix[1][1] 0.009906 +_atom_sites.fract_transf_matrix[1][2] 0.005719 +_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] 0.011438 +_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] 0.008990 +_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 +K +N +NA +O +P +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 . SER A 1 23 ? 2.527 54.656 -1.667 1.00 52.73 ? 2 SER A N 1 +ATOM 2 C CA . SER A 1 23 ? 3.259 54.783 -0.368 1.00 52.54 ? 2 SER A CA 1 +ATOM 3 C C . SER A 1 23 ? 4.127 53.553 -0.105 1.00 52.03 ? 2 SER A C 1 +ATOM 4 O O . SER A 1 23 ? 5.274 53.451 -0.594 1.00 52.45 ? 2 SER A O 1 +ATOM 5 C CB . SER A 1 23 ? 2.273 54.944 0.792 1.00 52.69 ? 2 SER A CB 1 +ATOM 6 O OG . SER A 1 23 ? 2.066 56.306 1.121 1.00 54.37 ? 2 SER A OG 1 +ATOM 7 N N . PHE A 1 24 ? 3.563 52.626 0.674 1.00 50.61 ? 3 PHE A N 1 +ATOM 8 C CA . PHE A 1 24 ? 4.261 51.413 1.102 1.00 48.73 ? 3 PHE A CA 1 +ATOM 9 C C . PHE A 1 24 ? 4.881 50.670 -0.064 1.00 48.17 ? 3 PHE A C 1 +ATOM 10 O O . PHE A 1 24 ? 6.035 50.257 0.019 1.00 47.56 ? 3 PHE A O 1 +ATOM 11 C CB . PHE A 1 24 ? 3.342 50.479 1.896 1.00 47.95 ? 3 PHE A CB 1 +ATOM 12 C CG . PHE A 1 24 ? 2.747 51.112 3.120 1.00 46.23 ? 3 PHE A CG 1 +ATOM 13 C CD1 . PHE A 1 24 ? 3.425 52.100 3.804 1.00 43.75 ? 3 PHE A CD1 1 +ATOM 14 C CD2 . PHE A 1 24 ? 1.509 50.701 3.594 1.00 45.77 ? 3 PHE A CD2 1 +ATOM 15 C CE1 . PHE A 1 24 ? 2.893 52.679 4.942 1.00 44.62 ? 3 PHE A CE1 1 +ATOM 16 C CE2 . PHE A 1 24 ? 0.955 51.280 4.728 1.00 45.65 ? 3 PHE A CE2 1 +ATOM 17 C CZ . PHE A 1 24 ? 1.655 52.273 5.409 1.00 45.91 ? 3 PHE A CZ 1 +ATOM 18 N N . SER A 1 25 ? 4.122 50.518 -1.151 1.00 47.69 ? 4 SER A N 1 +ATOM 19 C CA . SER A 1 25 ? 4.593 49.745 -2.323 1.00 47.00 ? 4 SER A CA 1 +ATOM 20 C C . SER A 1 25 ? 5.896 50.254 -2.977 1.00 45.29 ? 4 SER A C 1 +ATOM 21 O O . SER A 1 25 ? 6.627 49.479 -3.592 1.00 45.34 ? 4 SER A O 1 +ATOM 22 C CB . SER A 1 25 ? 3.489 49.633 -3.387 1.00 47.47 ? 4 SER A CB 1 +ATOM 23 O OG . SER A 1 25 ? 3.169 50.916 -3.908 1.00 49.92 ? 4 SER A OG 1 +ATOM 24 N N . ASN A 1 26 ? 6.184 51.544 -2.832 1.00 43.32 ? 5 ASN A N 1 +ATOM 25 C CA . ASN A 1 26 ? 7.351 52.145 -3.480 1.00 41.42 ? 5 ASN A CA 1 +ATOM 26 C C . ASN A 1 26 ? 8.584 52.307 -2.574 1.00 39.00 ? 5 ASN A C 1 +ATOM 27 O O . ASN A 1 26 ? 9.629 52.802 -3.000 1.00 38.69 ? 5 ASN A O 1 +ATOM 28 C CB . ASN A 1 26 ? 6.958 53.491 -4.094 1.00 42.02 ? 5 ASN A CB 1 +ATOM 29 C CG . ASN A 1 26 ? 6.108 53.321 -5.366 1.00 45.67 ? 5 ASN A CG 1 +ATOM 30 O OD1 . ASN A 1 26 ? 4.862 53.286 -5.312 1.00 48.48 ? 5 ASN A OD1 1 +ATOM 31 N ND2 . ASN A 1 26 ? 6.784 53.176 -6.513 1.00 47.35 ? 5 ASN A ND2 1 +ATOM 32 N N . VAL A 1 27 ? 8.466 51.922 -1.312 1.00 35.70 ? 6 VAL A N 1 +ATOM 33 C CA . VAL A 1 27 ? 9.636 51.959 -0.457 1.00 32.41 ? 6 VAL A CA 1 +ATOM 34 C C . VAL A 1 27 ? 10.595 50.807 -0.862 1.00 30.30 ? 6 VAL A C 1 +ATOM 35 O O . VAL A 1 27 ? 10.176 49.658 -0.964 1.00 29.28 ? 6 VAL A O 1 +ATOM 36 C CB . VAL A 1 27 ? 9.242 51.846 1.038 1.00 32.26 ? 6 VAL A CB 1 +ATOM 37 C CG1 . VAL A 1 27 ? 10.476 51.902 1.905 1.00 30.72 ? 6 VAL A CG1 1 +ATOM 38 C CG2 . VAL A 1 27 ? 8.257 52.934 1.415 1.00 30.80 ? 6 VAL A CG2 1 +ATOM 39 N N . PRO A 1 28 ? 11.890 51.109 -1.064 1.00 28.73 ? 7 PRO A N 1 +ATOM 40 C CA . PRO A 1 28 ? 12.827 50.031 -1.447 1.00 27.85 ? 7 PRO A CA 1 +ATOM 41 C C . PRO A 1 28 ? 12.952 49.030 -0.321 1.00 26.92 ? 7 PRO A C 1 +ATOM 42 O O . PRO A 1 28 ? 12.827 49.397 0.859 1.00 26.32 ? 7 PRO A O 1 +ATOM 43 C CB . PRO A 1 28 ? 14.159 50.763 -1.644 1.00 27.56 ? 7 PRO A CB 1 +ATOM 44 C CG . PRO A 1 28 ? 13.784 52.193 -1.869 1.00 28.99 ? 7 PRO A CG 1 +ATOM 45 C CD . PRO A 1 28 ? 12.550 52.421 -1.016 1.00 28.59 ? 7 PRO A CD 1 +ATOM 46 N N . ALA A 1 29 ? 13.208 47.777 -0.660 1.00 26.04 ? 8 ALA A N 1 +ATOM 47 C CA . ALA A 1 29 ? 13.463 46.785 0.378 1.00 25.67 ? 8 ALA A CA 1 +ATOM 48 C C . ALA A 1 29 ? 14.702 47.145 1.205 1.00 25.55 ? 8 ALA A C 1 +ATOM 49 O O . ALA A 1 29 ? 14.786 46.804 2.395 1.00 25.75 ? 8 ALA A O 1 +ATOM 50 C CB . ALA A 1 29 ? 13.588 45.395 -0.224 1.00 25.25 ? 8 ALA A CB 1 +ATOM 51 N N . GLY A 1 30 ? 15.668 47.834 0.598 1.00 25.34 ? 9 GLY A N 1 +ATOM 52 C CA . GLY A 1 30 ? 16.864 48.237 1.344 1.00 25.46 ? 9 GLY A CA 1 +ATOM 53 C C . GLY A 1 30 ? 17.905 48.951 0.506 1.00 26.30 ? 9 GLY A C 1 +ATOM 54 O O . GLY A 1 30 ? 17.865 48.854 -0.717 1.00 26.99 ? 9 GLY A O 1 +ATOM 55 N N . LYS A 1 31 ? 18.834 49.654 1.159 1.00 26.15 ? 10 LYS A N 1 +ATOM 56 C CA . LYS A 1 31 ? 19.941 50.322 0.477 1.00 27.63 ? 10 LYS A CA 1 +ATOM 57 C C . LYS A 1 31 ? 21.104 49.348 0.102 1.00 27.17 ? 10 LYS A C 1 +ATOM 58 O O . LYS A 1 31 ? 21.920 49.640 -0.769 1.00 28.04 ? 10 LYS A O 1 +ATOM 59 C CB . LYS A 1 31 ? 20.522 51.442 1.352 1.00 27.27 ? 10 LYS A CB 1 +ATOM 60 C CG . LYS A 1 31 ? 19.619 52.654 1.569 1.00 32.65 ? 10 LYS A CG 1 +ATOM 61 C CD . LYS A 1 31 ? 20.334 53.690 2.451 1.00 38.46 ? 10 LYS A CD 1 +ATOM 62 C CE . LYS A 1 31 ? 19.720 55.094 2.319 1.00 42.10 ? 10 LYS A CE 1 +ATOM 63 N NZ . LYS A 1 31 ? 18.235 55.016 2.421 1.00 42.82 ? 10 LYS A NZ 1 +ATOM 64 N N . ASP A 1 32 ? 21.204 48.221 0.782 1.00 26.40 ? 11 ASP A N 1 +ATOM 65 C CA . ASP A 1 32 ? 22.265 47.261 0.452 1.00 25.76 ? 11 ASP A CA 1 +ATOM 66 C C . ASP A 1 32 ? 21.901 45.893 0.979 1.00 24.71 ? 11 ASP A C 1 +ATOM 67 O O . ASP A 1 32 ? 22.369 45.488 2.037 1.00 25.14 ? 11 ASP A O 1 +ATOM 68 C CB . ASP A 1 32 ? 23.639 47.723 0.995 1.00 25.24 ? 11 ASP A CB 1 +ATOM 69 C CG . ASP A 1 32 ? 24.809 47.007 0.321 1.00 26.43 ? 11 ASP A CG 1 +ATOM 70 O OD1 . ASP A 1 32 ? 24.583 45.956 -0.326 1.00 25.79 ? 11 ASP A OD1 1 +ATOM 71 O OD2 . ASP A 1 32 ? 25.973 47.447 0.460 1.00 27.48 ? 11 ASP A OD2 1 +ATOM 72 N N . LEU A 1 33 ? 21.065 45.188 0.225 1.00 24.00 ? 12 LEU A N 1 +ATOM 73 C CA . LEU A 1 33 ? 20.522 43.892 0.629 1.00 24.17 ? 12 LEU A CA 1 +ATOM 74 C C . LEU A 1 33 ? 21.527 42.731 0.574 1.00 24.26 ? 12 LEU A C 1 +ATOM 75 O O . LEU A 1 33 ? 22.415 42.717 -0.279 1.00 23.90 ? 12 LEU A O 1 +ATOM 76 C CB . LEU A 1 33 ? 19.327 43.549 -0.255 1.00 23.47 ? 12 LEU A CB 1 +ATOM 77 C CG . LEU A 1 33 ? 18.183 44.559 -0.124 1.00 24.51 ? 12 LEU A CG 1 +ATOM 78 C CD1 . LEU A 1 33 ? 17.245 44.405 -1.303 1.00 24.49 ? 12 LEU A CD1 1 +ATOM 79 C CD2 . LEU A 1 33 ? 17.457 44.315 1.204 1.00 21.79 ? 12 LEU A CD2 1 +ATOM 80 N N . PRO A 1 34 ? 21.386 41.743 1.476 1.00 24.36 ? 13 PRO A N 1 +ATOM 81 C CA . PRO A 1 34 ? 20.351 41.670 2.533 1.00 24.17 ? 13 PRO A CA 1 +ATOM 82 C C . PRO A 1 34 ? 20.685 42.375 3.838 1.00 24.39 ? 13 PRO A C 1 +ATOM 83 O O . PRO A 1 34 ? 19.834 42.426 4.711 1.00 25.43 ? 13 PRO A O 1 +ATOM 84 C CB . PRO A 1 34 ? 20.288 40.158 2.827 1.00 23.15 ? 13 PRO A CB 1 +ATOM 85 C CG . PRO A 1 34 ? 21.729 39.721 2.577 1.00 24.50 ? 13 PRO A CG 1 +ATOM 86 C CD . PRO A 1 34 ? 22.089 40.451 1.320 1.00 23.40 ? 13 PRO A CD 1 +ATOM 87 N N . GLN A 1 35 ? 21.914 42.858 4.024 1.00 24.55 ? 14 GLN A N 1 +ATOM 88 C CA . GLN A 1 35 ? 22.326 43.248 5.367 1.00 24.52 ? 14 GLN A CA 1 +ATOM 89 C C . GLN A 1 35 ? 21.819 44.648 5.828 1.00 24.75 ? 14 GLN A C 1 +ATOM 90 O O . GLN A 1 35 ? 21.677 44.894 7.030 1.00 24.93 ? 14 GLN A O 1 +ATOM 91 C CB . GLN A 1 35 ? 23.855 43.075 5.569 1.00 24.43 ? 14 GLN A CB 1 +ATOM 92 C CG . GLN A 1 35 ? 24.713 44.188 5.026 1.00 23.98 ? 14 GLN A CG 1 +ATOM 93 C CD . GLN A 1 35 ? 25.043 43.985 3.535 1.00 28.20 ? 14 GLN A CD 1 +ATOM 94 O OE1 . GLN A 1 35 ? 24.581 43.009 2.886 1.00 24.90 ? 14 GLN A OE1 1 +ATOM 95 N NE2 . GLN A 1 35 ? 25.852 44.905 2.978 1.00 26.11 ? 14 GLN A NE2 1 +ATOM 96 N N . ASP A 1 36 ? 21.564 45.534 4.870 1.00 23.84 ? 15 ASP A N 1 +ATOM 97 C CA . ASP A 1 36 ? 21.118 46.909 5.116 1.00 24.38 ? 15 ASP A CA 1 +ATOM 98 C C . ASP A 1 36 ? 19.713 47.043 4.478 1.00 23.69 ? 15 ASP A C 1 +ATOM 99 O O . ASP A 1 36 ? 19.595 47.207 3.252 1.00 24.21 ? 15 ASP A O 1 +ATOM 100 C CB . ASP A 1 36 ? 22.139 47.858 4.480 1.00 23.38 ? 15 ASP A CB 1 +ATOM 101 C CG . ASP A 1 36 ? 21.822 49.319 4.698 1.00 26.33 ? 15 ASP A CG 1 +ATOM 102 O OD1 . ASP A 1 36 ? 20.881 49.684 5.451 1.00 27.50 ? 15 ASP A OD1 1 +ATOM 103 O OD2 . ASP A 1 36 ? 22.525 50.140 4.100 1.00 26.80 ? 15 ASP A OD2 1 +ATOM 104 N N . PHE A 1 37 ? 18.663 46.860 5.294 1.00 23.31 ? 16 PHE A N 1 +ATOM 105 C CA . PHE A 1 37 ? 17.273 46.837 4.816 1.00 23.19 ? 16 PHE A CA 1 +ATOM 106 C C . PHE A 1 37 ? 16.304 47.845 5.526 1.00 23.35 ? 16 PHE A C 1 +ATOM 107 O O . PHE A 1 37 ? 16.611 48.396 6.589 1.00 23.52 ? 16 PHE A O 1 +ATOM 108 C CB . PHE A 1 37 ? 16.708 45.420 4.913 1.00 22.15 ? 16 PHE A CB 1 +ATOM 109 C CG . PHE A 1 37 ? 16.755 44.850 6.304 1.00 23.52 ? 16 PHE A CG 1 +ATOM 110 C CD1 . PHE A 1 37 ? 15.651 44.981 7.178 1.00 21.74 ? 16 PHE A CD1 1 +ATOM 111 C CD2 . PHE A 1 37 ? 17.894 44.177 6.749 1.00 21.69 ? 16 PHE A CD2 1 +ATOM 112 C CE1 . PHE A 1 37 ? 15.692 44.448 8.458 1.00 23.07 ? 16 PHE A CE1 1 +ATOM 113 C CE2 . PHE A 1 37 ? 17.962 43.648 8.041 1.00 21.56 ? 16 PHE A CE2 1 +ATOM 114 C CZ . PHE A 1 37 ? 16.870 43.770 8.903 1.00 22.24 ? 16 PHE A CZ 1 +ATOM 115 N N . ASN A 1 38 ? 15.127 48.049 4.936 1.00 23.34 ? 17 ASN A N 1 +ATOM 116 C CA . ASN A 1 38 ? 14.124 48.961 5.479 1.00 22.99 ? 17 ASN A CA 1 +ATOM 117 C C . ASN A 1 38 ? 12.974 48.168 6.088 1.00 22.52 ? 17 ASN A C 1 +ATOM 118 O O . ASN A 1 38 ? 12.615 47.109 5.587 1.00 21.94 ? 17 ASN A O 1 +ATOM 119 C CB . ASN A 1 38 ? 13.567 49.872 4.354 1.00 24.37 ? 17 ASN A CB 1 +ATOM 120 C CG . ASN A 1 38 ? 14.635 50.818 3.792 1.00 24.52 ? 17 ASN A CG 1 +ATOM 121 O OD1 . ASN A 1 38 ? 15.483 51.296 4.541 1.00 26.24 ? 17 ASN A OD1 1 +ATOM 122 N ND2 . ASN A 1 38 ? 14.609 51.063 2.469 1.00 22.96 ? 17 ASN A ND2 1 +ATOM 123 N N . VAL A 1 39 ? 12.406 48.688 7.175 1.00 22.23 ? 18 VAL A N 1 +ATOM 124 C CA . VAL A 1 39 ? 11.233 48.079 7.822 1.00 20.84 ? 18 VAL A CA 1 +ATOM 125 C C . VAL A 1 39 ? 10.145 49.150 7.953 1.00 20.77 ? 18 VAL A C 1 +ATOM 126 O O . VAL A 1 39 ? 10.375 50.259 8.466 1.00 20.23 ? 18 VAL A O 1 +ATOM 127 C CB . VAL A 1 39 ? 11.556 47.505 9.264 1.00 21.36 ? 18 VAL A CB 1 +ATOM 128 C CG1 . VAL A 1 39 ? 10.350 46.768 9.827 1.00 19.07 ? 18 VAL A CG1 1 +ATOM 129 C CG2 . VAL A 1 39 ? 12.803 46.559 9.236 1.00 19.34 ? 18 VAL A CG2 1 +ATOM 130 N N . ILE A 1 40 ? 8.968 48.830 7.446 1.00 20.63 ? 19 ILE A N 1 +ATOM 131 C CA . ILE A 1 40 ? 7.808 49.672 7.712 1.00 21.06 ? 19 ILE A CA 1 +ATOM 132 C C . ILE A 1 40 ? 7.109 49.163 8.967 1.00 20.14 ? 19 ILE A C 1 +ATOM 133 O O . ILE A 1 40 ? 6.763 47.954 9.057 1.00 19.42 ? 19 ILE A O 1 +ATOM 134 C CB . ILE A 1 40 ? 6.841 49.673 6.498 1.00 22.11 ? 19 ILE A CB 1 +ATOM 135 C CG1 . ILE A 1 40 ? 7.500 50.469 5.349 1.00 22.28 ? 19 ILE A CG1 1 +ATOM 136 C CG2 . ILE A 1 40 ? 5.467 50.272 6.876 1.00 19.98 ? 19 ILE A CG2 1 +ATOM 137 C CD1 . ILE A 1 40 ? 6.887 50.180 3.973 1.00 24.13 ? 19 ILE A CD1 1 +ATOM 138 N N . ILE A 1 41 ? 6.914 50.062 9.937 1.00 19.07 ? 20 ILE A N 1 +ATOM 139 C CA . ILE A 1 41 ? 6.335 49.641 11.228 1.00 18.73 ? 20 ILE A CA 1 +ATOM 140 C C . ILE A 1 41 ? 4.808 49.541 11.151 1.00 19.01 ? 20 ILE A C 1 +ATOM 141 O O . ILE A 1 41 ? 4.148 50.500 10.726 1.00 20.15 ? 20 ILE A O 1 +ATOM 142 C CB . ILE A 1 41 ? 6.767 50.609 12.367 1.00 18.68 ? 20 ILE A CB 1 +ATOM 143 C CG1 . ILE A 1 41 ? 8.310 50.664 12.407 1.00 18.52 ? 20 ILE A CG1 1 +ATOM 144 C CG2 . ILE A 1 41 ? 6.131 50.202 13.761 1.00 17.94 ? 20 ILE A CG2 1 +ATOM 145 C CD1 . ILE A 1 41 ? 8.972 49.240 12.614 1.00 16.95 ? 20 ILE A CD1 1 +ATOM 146 N N . GLU A 1 42 ? 4.251 48.404 11.563 1.00 18.77 ? 21 GLU A N 1 +ATOM 147 C CA . GLU A 1 42 ? 2.788 48.243 11.677 1.00 19.87 ? 21 GLU A CA 1 +ATOM 148 C C . GLU A 1 42 ? 2.290 48.373 13.130 1.00 19.89 ? 21 GLU A C 1 +ATOM 149 O O . GLU A 1 42 ? 1.226 48.954 13.377 1.00 20.64 ? 21 GLU A O 1 +ATOM 150 C CB . GLU A 1 42 ? 2.343 46.896 11.092 1.00 19.24 ? 21 GLU A CB 1 +ATOM 151 C CG . GLU A 1 42 ? 2.620 46.756 9.582 1.00 21.01 ? 21 GLU A CG 1 +ATOM 152 C CD . GLU A 1 42 ? 2.500 45.327 9.118 1.00 22.65 ? 21 GLU A CD 1 +ATOM 153 O OE1 . GLU A 1 42 ? 3.120 44.447 9.729 1.00 26.58 ? 21 GLU A OE1 1 +ATOM 154 O OE2 . GLU A 1 42 ? 1.771 45.072 8.153 1.00 23.20 ? 21 GLU A OE2 1 +ATOM 155 N N . ILE A 1 43 ? 3.076 47.870 14.079 1.00 19.73 ? 22 ILE A N 1 +ATOM 156 C CA . ILE A 1 43 ? 2.667 47.809 15.505 1.00 19.94 ? 22 ILE A CA 1 +ATOM 157 C C . ILE A 1 43 ? 3.788 48.237 16.456 1.00 19.81 ? 22 ILE A C 1 +ATOM 158 O O . ILE A 1 43 ? 4.767 47.517 16.605 1.00 21.37 ? 22 ILE A O 1 +ATOM 159 C CB . ILE A 1 43 ? 2.182 46.370 15.899 1.00 20.44 ? 22 ILE A CB 1 +ATOM 160 C CG1 . ILE A 1 43 ? 1.021 45.935 15.009 1.00 19.03 ? 22 ILE A CG1 1 +ATOM 161 C CG2 . ILE A 1 43 ? 1.789 46.307 17.367 1.00 19.40 ? 22 ILE A CG2 1 +ATOM 162 C CD1 . ILE A 1 43 ? 0.659 44.455 15.118 1.00 19.72 ? 22 ILE A CD1 1 +ATOM 163 N N . PRO A 1 44 ? 3.672 49.434 17.073 1.00 19.24 ? 23 PRO A N 1 +ATOM 164 C CA . PRO A 1 44 ? 4.714 49.919 18.016 1.00 18.94 ? 23 PRO A CA 1 +ATOM 165 C C . PRO A 1 44 ? 4.816 48.987 19.246 1.00 19.28 ? 23 PRO A C 1 +ATOM 166 O O . PRO A 1 44 ? 3.819 48.398 19.666 1.00 19.56 ? 23 PRO A O 1 +ATOM 167 C CB . PRO A 1 44 ? 4.201 51.308 18.436 1.00 18.92 ? 23 PRO A CB 1 +ATOM 168 C CG . PRO A 1 44 ? 3.286 51.728 17.295 1.00 17.76 ? 23 PRO A CG 1 +ATOM 169 C CD . PRO A 1 44 ? 2.608 50.421 16.861 1.00 17.40 ? 23 PRO A CD 1 +ATOM 170 N N . ALA A 1 45 ? 6.026 48.803 19.761 1.00 18.68 ? 24 ALA A N 1 +ATOM 171 C CA . ALA A 1 45 ? 6.227 48.079 21.006 1.00 18.54 ? 24 ALA A CA 1 +ATOM 172 C C . ALA A 1 45 ? 5.270 48.569 22.090 1.00 18.10 ? 24 ALA A C 1 +ATOM 173 O O . ALA A 1 45 ? 5.137 49.785 22.277 1.00 18.29 ? 24 ALA A O 1 +ATOM 174 C CB . ALA A 1 45 ? 7.660 48.250 21.486 1.00 17.41 ? 24 ALA A CB 1 +ATOM 175 N N . GLN A 1 46 ? 4.623 47.639 22.805 1.00 17.44 ? 25 GLN A N 1 +ATOM 176 C CA . GLN A 1 46 ? 3.743 48.001 23.972 1.00 18.87 ? 25 GLN A CA 1 +ATOM 177 C C . GLN A 1 46 ? 2.476 48.811 23.642 1.00 18.88 ? 25 GLN A C 1 +ATOM 178 O O . GLN A 1 46 ? 1.787 49.325 24.541 1.00 19.08 ? 25 GLN A O 1 +ATOM 179 C CB . GLN A 1 46 ? 4.570 48.733 25.062 1.00 18.70 ? 25 GLN A CB 1 +ATOM 180 C CG . GLN A 1 46 ? 5.715 47.839 25.644 1.00 19.85 ? 25 GLN A CG 1 +ATOM 181 C CD . GLN A 1 46 ? 5.192 46.588 26.346 1.00 22.15 ? 25 GLN A CD 1 +ATOM 182 O OE1 . GLN A 1 46 ? 4.040 46.540 26.806 1.00 25.01 ? 25 GLN A OE1 1 +ATOM 183 N NE2 . GLN A 1 46 ? 6.035 45.573 26.446 1.00 22.42 ? 25 GLN A NE2 1 +ATOM 184 N N . SER A 1 47 ? 2.145 48.938 22.364 1.00 19.33 ? 26 SER A N 1 +ATOM 185 C CA . SER A 1 47 ? 0.912 49.648 21.988 1.00 19.59 ? 26 SER A CA 1 +ATOM 186 C C . SER A 1 47 ? -0.320 48.844 22.464 1.00 20.50 ? 26 SER A C 1 +ATOM 187 O O . SER A 1 47 ? -0.237 47.623 22.727 1.00 20.29 ? 26 SER A O 1 +ATOM 188 C CB . SER A 1 47 ? 0.884 49.925 20.458 1.00 19.67 ? 26 SER A CB 1 +ATOM 189 O OG . SER A 1 47 ? 1.003 48.706 19.704 1.00 19.08 ? 26 SER A OG 1 +ATOM 190 N N . GLU A 1 48 ? -1.464 49.514 22.603 1.00 20.38 ? 27 GLU A N 1 +ATOM 191 C CA . GLU A 1 48 ? -2.696 48.815 22.968 1.00 21.73 ? 27 GLU A CA 1 +ATOM 192 C C . GLU A 1 48 ? -2.899 47.630 22.013 1.00 21.32 ? 27 GLU A C 1 +ATOM 193 O O . GLU A 1 48 ? -2.468 47.677 20.875 1.00 21.54 ? 27 GLU A O 1 +ATOM 194 C CB . GLU A 1 48 ? -3.896 49.808 23.027 1.00 21.74 ? 27 GLU A CB 1 +ATOM 195 C CG . GLU A 1 48 ? -3.758 50.649 24.300 1.00 23.24 ? 27 GLU A CG 1 +ATOM 196 C CD . GLU A 1 48 ? -4.826 51.710 24.535 1.00 25.87 ? 27 GLU A CD 1 +ATOM 197 O OE1 . GLU A 1 48 ? -5.477 52.149 23.596 1.00 25.51 ? 27 GLU A OE1 1 +ATOM 198 O OE2 . GLU A 1 48 ? -5.000 52.130 25.698 1.00 25.72 ? 27 GLU A OE2 1 +ATOM 199 N N . PRO A 1 49 ? -3.555 46.560 22.480 1.00 21.62 ? 28 PRO A N 1 +ATOM 200 C CA . PRO A 1 49 ? -3.561 45.259 21.771 1.00 21.72 ? 28 PRO A CA 1 +ATOM 201 C C . PRO A 1 49 ? -4.457 45.171 20.496 1.00 22.43 ? 28 PRO A C 1 +ATOM 202 O O . PRO A 1 49 ? -5.421 44.391 20.437 1.00 22.00 ? 28 PRO A O 1 +ATOM 203 C CB . PRO A 1 49 ? -4.038 44.271 22.855 1.00 21.26 ? 28 PRO A CB 1 +ATOM 204 C CG . PRO A 1 49 ? -4.768 45.110 23.839 1.00 21.70 ? 28 PRO A CG 1 +ATOM 205 C CD . PRO A 1 49 ? -4.153 46.479 23.829 1.00 21.25 ? 28 PRO A CD 1 +ATOM 206 N N . VAL A 1 50 ? -4.098 45.952 19.485 1.00 23.11 ? 29 VAL A N 1 +ATOM 207 C CA . VAL A 1 50 ? -4.811 46.024 18.207 1.00 23.26 ? 29 VAL A CA 1 +ATOM 208 C C . VAL A 1 50 ? -3.804 45.704 17.111 1.00 23.88 ? 29 VAL A C 1 +ATOM 209 O O . VAL A 1 50 ? -2.754 46.345 17.004 1.00 23.18 ? 29 VAL A O 1 +ATOM 210 C CB . VAL A 1 50 ? -5.430 47.448 17.974 1.00 23.27 ? 29 VAL A CB 1 +ATOM 211 C CG1 . VAL A 1 50 ? -6.368 47.470 16.769 1.00 21.69 ? 29 VAL A CG1 1 +ATOM 212 C CG2 . VAL A 1 50 ? -6.114 47.970 19.256 1.00 22.25 ? 29 VAL A CG2 1 +ATOM 213 N N . LYS A 1 51 ? -4.115 44.681 16.315 1.00 24.89 ? 30 LYS A N 1 +ATOM 214 C CA . LYS A 1 51 ? -3.209 44.200 15.259 1.00 26.06 ? 30 LYS A CA 1 +ATOM 215 C C . LYS A 1 51 ? -3.450 44.954 13.937 1.00 26.00 ? 30 LYS A C 1 +ATOM 216 O O . LYS A 1 51 ? -4.425 44.686 13.244 1.00 26.59 ? 30 LYS A O 1 +ATOM 217 C CB . LYS A 1 51 ? -3.467 42.692 15.077 1.00 26.61 ? 30 LYS A CB 1 +ATOM 218 C CG . LYS A 1 51 ? -2.248 41.822 14.884 1.00 28.45 ? 30 LYS A CG 1 +ATOM 219 C CD . LYS A 1 51 ? -1.999 41.562 13.421 1.00 28.74 ? 30 LYS A CD 1 +ATOM 220 C CE . LYS A 1 51 ? -0.999 40.442 13.240 1.00 30.16 ? 30 LYS A CE 1 +ATOM 221 N NZ . LYS A 1 51 ? -0.274 40.696 11.977 1.00 28.79 ? 30 LYS A NZ 1 +ATOM 222 N N . TYR A 1 52 ? -2.613 45.936 13.595 1.00 25.80 ? 31 TYR A N 1 +ATOM 223 C CA . TYR A 1 52 ? -2.729 46.580 12.294 1.00 25.22 ? 31 TYR A CA 1 +ATOM 224 C C . TYR A 1 52 ? -1.864 45.867 11.261 1.00 27.00 ? 31 TYR A C 1 +ATOM 225 O O . TYR A 1 52 ? -0.798 45.336 11.598 1.00 26.61 ? 31 TYR A O 1 +ATOM 226 C CB . TYR A 1 52 ? -2.308 48.046 12.361 1.00 25.12 ? 31 TYR A CB 1 +ATOM 227 C CG . TYR A 1 52 ? -3.212 48.892 13.226 1.00 23.08 ? 31 TYR A CG 1 +ATOM 228 C CD1 . TYR A 1 52 ? -4.287 49.571 12.673 1.00 19.20 ? 31 TYR A CD1 1 +ATOM 229 C CD2 . TYR A 1 52 ? -3.015 48.958 14.603 1.00 18.39 ? 31 TYR A CD2 1 +ATOM 230 C CE1 . TYR A 1 52 ? -5.114 50.341 13.448 1.00 19.06 ? 31 TYR A CE1 1 +ATOM 231 C CE2 . TYR A 1 52 ? -3.845 49.730 15.405 1.00 20.45 ? 31 TYR A CE2 1 +ATOM 232 C CZ . TYR A 1 52 ? -4.898 50.419 14.815 1.00 18.45 ? 31 TYR A CZ 1 +ATOM 233 O OH . TYR A 1 52 ? -5.738 51.188 15.591 1.00 21.38 ? 31 TYR A OH 1 +ATOM 234 N N . GLU A 1 53 ? -2.333 45.871 10.016 1.00 27.55 ? 32 GLU A N 1 +ATOM 235 C CA . GLU A 1 53 ? -1.576 45.372 8.868 1.00 30.56 ? 32 GLU A CA 1 +ATOM 236 C C . GLU A 1 53 ? -1.594 46.427 7.779 1.00 30.42 ? 32 GLU A C 1 +ATOM 237 O O . GLU A 1 53 ? -2.638 46.991 7.484 1.00 30.34 ? 32 GLU A O 1 +ATOM 238 C CB . GLU A 1 53 ? -2.173 44.050 8.322 1.00 31.34 ? 32 GLU A CB 1 +ATOM 239 C CG . GLU A 1 53 ? -2.005 42.866 9.281 1.00 36.06 ? 32 GLU A CG 1 +ATOM 240 C CD . GLU A 1 53 ? -2.344 41.526 8.649 1.00 43.47 ? 32 GLU A CD 1 +ATOM 241 O OE1 . GLU A 1 53 ? -2.926 41.513 7.531 1.00 44.52 ? 32 GLU A OE1 1 +ATOM 242 O OE2 . GLU A 1 53 ? -2.042 40.483 9.294 1.00 47.61 ? 32 GLU A OE2 1 +ATOM 243 N N . ALA A 1 54 ? -0.434 46.703 7.200 1.00 31.88 ? 33 ALA A N 1 +ATOM 244 C CA . ALA A 1 54 ? -0.345 47.623 6.073 1.00 33.76 ? 33 ALA A CA 1 +ATOM 245 C C . ALA A 1 54 ? -1.055 47.022 4.860 1.00 35.50 ? 33 ALA A C 1 +ATOM 246 O O . ALA A 1 54 ? -0.894 45.835 4.550 1.00 36.09 ? 33 ALA A O 1 +ATOM 247 C CB . ALA A 1 54 ? 1.091 47.937 5.747 1.00 33.39 ? 33 ALA A CB 1 +ATOM 248 N N . ASP A 1 55 ? -1.890 47.820 4.207 1.00 36.96 ? 34 ASP A N 1 +ATOM 249 C CA . ASP A 1 55 ? -2.438 47.426 2.914 1.00 38.49 ? 34 ASP A CA 1 +ATOM 250 C C . ASP A 1 55 ? -1.577 48.087 1.835 1.00 39.63 ? 34 ASP A C 1 +ATOM 251 O O . ASP A 1 55 ? -1.554 49.309 1.686 1.00 38.98 ? 34 ASP A O 1 +ATOM 252 C CB . ASP A 1 55 ? -3.896 47.845 2.800 1.00 38.53 ? 34 ASP A CB 1 +ATOM 253 C CG . ASP A 1 55 ? -4.540 47.355 1.528 1.00 39.38 ? 34 ASP A CG 1 +ATOM 254 O OD1 . ASP A 1 55 ? -4.180 47.841 0.442 1.00 37.36 ? 34 ASP A OD1 1 +ATOM 255 O OD2 . ASP A 1 55 ? -5.405 46.469 1.619 1.00 42.57 ? 34 ASP A OD2 1 +ATOM 256 N N . LYS A 1 56 ? -0.810 47.282 1.120 1.00 41.54 ? 35 LYS A N 1 +ATOM 257 C CA . LYS A 1 56 ? 0.108 47.856 0.134 1.00 44.05 ? 35 LYS A CA 1 +ATOM 258 C C . LYS A 1 56 ? -0.633 48.369 -1.124 1.00 44.94 ? 35 LYS A C 1 +ATOM 259 O O . LYS A 1 56 ? -0.100 49.187 -1.886 1.00 45.87 ? 35 LYS A O 1 +ATOM 260 C CB . LYS A 1 56 ? 1.242 46.868 -0.197 1.00 44.78 ? 35 LYS A CB 1 +ATOM 261 C CG . LYS A 1 56 ? 2.517 47.072 0.672 1.00 44.98 ? 35 LYS A CG 1 +ATOM 262 C CD . LYS A 1 56 ? 2.936 45.792 1.403 1.00 45.99 ? 35 LYS A CD 1 +ATOM 263 C CE . LYS A 1 56 ? 1.747 45.213 2.158 1.00 47.71 ? 35 LYS A CE 1 +ATOM 264 N NZ . LYS A 1 56 ? 2.070 44.230 3.257 1.00 48.24 ? 35 LYS A NZ 1 +ATOM 265 N N . ALA A 1 57 ? -1.873 47.914 -1.313 1.00 44.65 ? 36 ALA A N 1 +ATOM 266 C CA . ALA A 1 57 ? -2.707 48.405 -2.391 1.00 44.81 ? 36 ALA A CA 1 +ATOM 267 C C . ALA A 1 57 ? -3.519 49.652 -2.006 1.00 44.91 ? 36 ALA A C 1 +ATOM 268 O O . ALA A 1 57 ? -4.046 50.317 -2.886 1.00 45.28 ? 36 ALA A O 1 +ATOM 269 C CB . ALA A 1 57 ? -3.656 47.309 -2.864 1.00 44.78 ? 36 ALA A CB 1 +ATOM 270 N N . LEU A 1 58 ? -3.680 49.937 -0.708 1.00 43.77 ? 37 LEU A N 1 +ATOM 271 C CA . LEU A 1 58 ? -4.397 51.142 -0.298 1.00 42.57 ? 37 LEU A CA 1 +ATOM 272 C C . LEU A 1 58 ? -3.404 52.197 0.145 1.00 41.06 ? 37 LEU A C 1 +ATOM 273 O O . LEU A 1 58 ? -3.735 53.383 0.193 1.00 41.20 ? 37 LEU A O 1 +ATOM 274 C CB . LEU A 1 58 ? -5.379 50.861 0.844 1.00 42.92 ? 37 LEU A CB 1 +ATOM 275 C CG . LEU A 1 58 ? -6.450 49.797 0.612 1.00 43.81 ? 37 LEU A CG 1 +ATOM 276 C CD1 . LEU A 1 58 ? -7.367 49.636 1.818 1.00 44.72 ? 37 LEU A CD1 1 +ATOM 277 C CD2 . LEU A 1 58 ? -7.258 50.154 -0.608 1.00 45.97 ? 37 LEU A CD2 1 +ATOM 278 N N . GLY A 1 59 ? -2.183 51.759 0.469 1.00 39.85 ? 38 GLY A N 1 +ATOM 279 C CA . GLY A 1 59 ? -1.176 52.617 1.131 1.00 37.63 ? 38 GLY A CA 1 +ATOM 280 C C . GLY A 1 59 ? -1.501 53.016 2.583 1.00 36.28 ? 38 GLY A C 1 +ATOM 281 O O . GLY A 1 59 ? -1.003 54.034 3.081 1.00 36.55 ? 38 GLY A O 1 +ATOM 282 N N . LEU A 1 60 ? -2.339 52.234 3.265 1.00 33.68 ? 39 LEU A N 1 +ATOM 283 C CA . LEU A 1 60 ? -2.850 52.621 4.595 1.00 31.37 ? 39 LEU A CA 1 +ATOM 284 C C . LEU A 1 60 ? -2.765 51.448 5.548 1.00 29.37 ? 39 LEU A C 1 +ATOM 285 O O . LEU A 1 60 ? -2.761 50.301 5.099 1.00 28.58 ? 39 LEU A O 1 +ATOM 286 C CB . LEU A 1 60 ? -4.311 53.094 4.516 1.00 30.92 ? 39 LEU A CB 1 +ATOM 287 C CG . LEU A 1 60 ? -4.593 54.380 3.727 1.00 31.84 ? 39 LEU A CG 1 +ATOM 288 C CD1 . LEU A 1 60 ? -6.088 54.592 3.563 1.00 31.37 ? 39 LEU A CD1 1 +ATOM 289 C CD2 . LEU A 1 60 ? -3.950 55.577 4.413 1.00 30.83 ? 39 LEU A CD2 1 +ATOM 290 N N . LEU A 1 61 ? -2.685 51.738 6.854 1.00 27.18 ? 40 LEU A N 1 +ATOM 291 C CA . LEU A 1 61 ? -2.802 50.690 7.873 1.00 26.07 ? 40 LEU A CA 1 +ATOM 292 C C . LEU A 1 61 ? -4.260 50.295 8.039 1.00 24.63 ? 40 LEU A C 1 +ATOM 293 O O . LEU A 1 61 ? -5.140 51.150 8.125 1.00 23.26 ? 40 LEU A O 1 +ATOM 294 C CB . LEU A 1 61 ? -2.218 51.115 9.238 1.00 25.71 ? 40 LEU A CB 1 +ATOM 295 C CG . LEU A 1 61 ? -0.687 51.351 9.263 1.00 25.93 ? 40 LEU A CG 1 +ATOM 296 C CD1 . LEU A 1 61 ? -0.250 52.020 10.547 1.00 24.92 ? 40 LEU A CD1 1 +ATOM 297 C CD2 . LEU A 1 61 ? 0.064 50.039 9.032 1.00 24.73 ? 40 LEU A CD2 1 +ATOM 298 N N . VAL A 1 62 ? -4.486 48.988 8.093 1.00 24.43 ? 41 VAL A N 1 +ATOM 299 C CA . VAL A 1 62 ? -5.822 48.433 8.262 1.00 25.12 ? 41 VAL A CA 1 +ATOM 300 C C . VAL A 1 62 ? -5.926 47.622 9.556 1.00 25.36 ? 41 VAL A C 1 +ATOM 301 O O . VAL A 1 62 ? -4.999 46.846 9.885 1.00 24.93 ? 41 VAL A O 1 +ATOM 302 C CB . VAL A 1 62 ? -6.155 47.533 7.039 1.00 25.41 ? 41 VAL A CB 1 +ATOM 303 C CG1 . VAL A 1 62 ? -7.438 46.711 7.244 1.00 26.79 ? 41 VAL A CG1 1 +ATOM 304 C CG2 . VAL A 1 62 ? -6.270 48.406 5.797 1.00 24.02 ? 41 VAL A CG2 1 +ATOM 305 N N . VAL A 1 63 ? -7.038 47.774 10.285 1.00 24.79 ? 42 VAL A N 1 +ATOM 306 C CA . VAL A 1 63 ? -7.232 46.981 11.515 1.00 25.06 ? 42 VAL A CA 1 +ATOM 307 C C . VAL A 1 63 ? -7.535 45.513 11.174 1.00 25.94 ? 42 VAL A C 1 +ATOM 308 O O . VAL A 1 63 ? -8.638 45.197 10.731 1.00 26.93 ? 42 VAL A O 1 +ATOM 309 C CB . VAL A 1 63 ? -8.420 47.451 12.370 1.00 24.99 ? 42 VAL A CB 1 +ATOM 310 C CG1 . VAL A 1 63 ? -8.436 46.718 13.688 1.00 24.48 ? 42 VAL A CG1 1 +ATOM 311 C CG2 . VAL A 1 63 ? -8.400 48.939 12.607 1.00 24.84 ? 42 VAL A CG2 1 +ATOM 312 N N . ASP A 1 64 ? -6.578 44.619 11.376 1.00 25.33 ? 43 ASP A N 1 +ATOM 313 C CA . ASP A 1 64 ? -6.825 43.221 11.140 1.00 26.20 ? 43 ASP A CA 1 +ATOM 314 C C . ASP A 1 64 ? -7.737 42.626 12.210 1.00 25.70 ? 43 ASP A C 1 +ATOM 315 O O . ASP A 1 64 ? -8.787 42.081 11.879 1.00 25.64 ? 43 ASP A O 1 +ATOM 316 C CB . ASP A 1 64 ? -5.524 42.401 11.040 1.00 27.86 ? 43 ASP A CB 1 +ATOM 317 C CG . ASP A 1 64 ? -5.814 40.952 10.725 1.00 30.64 ? 43 ASP A CG 1 +ATOM 318 O OD1 . ASP A 1 64 ? -6.372 40.686 9.642 1.00 37.20 ? 43 ASP A OD1 1 +ATOM 319 O OD2 . ASP A 1 64 ? -5.576 40.084 11.564 1.00 33.64 ? 43 ASP A OD2 1 +ATOM 320 N N . ARG A 1 65 ? -7.345 42.729 13.482 1.00 23.76 ? 44 ARG A N 1 +ATOM 321 C CA . ARG A 1 65 ? -8.190 42.297 14.561 1.00 24.05 ? 44 ARG A CA 1 +ATOM 322 C C . ARG A 1 65 ? -7.761 42.917 15.906 1.00 24.08 ? 44 ARG A C 1 +ATOM 323 O O . ARG A 1 65 ? -6.608 43.338 16.065 1.00 24.67 ? 44 ARG A O 1 +ATOM 324 C CB . ARG A 1 65 ? -8.171 40.764 14.678 1.00 24.30 ? 44 ARG A CB 1 +ATOM 325 C CG . ARG A 1 65 ? -6.835 40.203 15.246 1.00 24.56 ? 44 ARG A CG 1 +ATOM 326 C CD . ARG A 1 65 ? -6.770 38.712 15.056 1.00 28.25 ? 44 ARG A CD 1 +ATOM 327 N NE . ARG A 1 65 ? -5.527 38.105 15.527 1.00 30.15 ? 44 ARG A NE 1 +ATOM 328 C CZ . ARG A 1 65 ? -4.436 37.938 14.774 1.00 30.95 ? 44 ARG A CZ 1 +ATOM 329 N NH1 . ARG A 1 65 ? -4.413 38.364 13.500 1.00 29.56 ? 44 ARG A NH1 1 +ATOM 330 N NH2 . ARG A 1 65 ? -3.363 37.358 15.299 1.00 27.85 ? 44 ARG A NH2 1 +ATOM 331 N N . PHE A 1 66 ? -8.708 42.999 16.839 1.00 23.14 ? 45 PHE A N 1 +ATOM 332 C CA . PHE A 1 66 ? -8.408 43.175 18.265 1.00 23.01 ? 45 PHE A CA 1 +ATOM 333 C C . PHE A 1 66 ? -7.891 41.854 18.809 1.00 23.22 ? 45 PHE A C 1 +ATOM 334 O O . PHE A 1 66 ? -8.571 40.821 18.730 1.00 22.43 ? 45 PHE A O 1 +ATOM 335 C CB . PHE A 1 66 ? -9.621 43.696 19.024 1.00 23.17 ? 45 PHE A CB 1 +ATOM 336 C CG . PHE A 1 66 ? -9.904 45.174 18.756 1.00 23.12 ? 45 PHE A CG 1 +ATOM 337 C CD1 . PHE A 1 66 ? -9.587 46.141 19.696 1.00 22.31 ? 45 PHE A CD1 1 +ATOM 338 C CD2 . PHE A 1 66 ? -10.456 45.591 17.546 1.00 22.00 ? 45 PHE A CD2 1 +ATOM 339 C CE1 . PHE A 1 66 ? -9.815 47.525 19.445 1.00 19.37 ? 45 PHE A CE1 1 +ATOM 340 C CE2 . PHE A 1 66 ? -10.689 46.946 17.299 1.00 24.14 ? 45 PHE A CE2 1 +ATOM 341 C CZ . PHE A 1 66 ? -10.363 47.920 18.257 1.00 20.26 ? 45 PHE A CZ 1 +ATOM 342 N N . ILE A 1 67 ? -6.653 41.870 19.303 1.00 22.58 ? 46 ILE A N 1 +ATOM 343 C CA . ILE A 1 67 ? -6.049 40.660 19.811 1.00 22.68 ? 46 ILE A CA 1 +ATOM 344 C C . ILE A 1 67 ? -6.900 40.042 20.937 1.00 22.39 ? 46 ILE A C 1 +ATOM 345 O O . ILE A 1 67 ? -7.174 40.697 21.955 1.00 22.85 ? 46 ILE A O 1 +ATOM 346 C CB . ILE A 1 67 ? -4.573 40.901 20.294 1.00 22.60 ? 46 ILE A CB 1 +ATOM 347 C CG1 . ILE A 1 67 ? -3.715 41.434 19.130 1.00 21.33 ? 46 ILE A CG1 1 +ATOM 348 C CG2 . ILE A 1 67 ? -4.021 39.618 20.954 1.00 19.70 ? 46 ILE A CG2 1 +ATOM 349 C CD1 . ILE A 1 67 ? -2.327 41.989 19.546 1.00 21.68 ? 46 ILE A CD1 1 +ATOM 350 N N . GLY A 1 68 ? -7.299 38.783 20.761 1.00 21.82 ? 47 GLY A N 1 +ATOM 351 C CA . GLY A 1 68 ? -8.248 38.135 21.701 1.00 20.72 ? 47 GLY A CA 1 +ATOM 352 C C . GLY A 1 68 ? -7.794 38.069 23.156 1.00 20.43 ? 47 GLY A C 1 +ATOM 353 O O . GLY A 1 68 ? -8.593 38.229 24.093 1.00 19.67 ? 47 GLY A O 1 +ATOM 354 N N . THR A 1 69 ? -6.499 37.840 23.355 1.00 19.77 ? 48 THR A N 1 +ATOM 355 C CA . THR A 1 69 ? -5.932 37.739 24.683 1.00 19.66 ? 48 THR A CA 1 +ATOM 356 C C . THR A 1 69 ? -5.613 39.106 25.314 1.00 20.30 ? 48 THR A C 1 +ATOM 357 O O . THR A 1 69 ? -5.329 39.200 26.512 1.00 20.72 ? 48 THR A O 1 +ATOM 358 C CB . THR A 1 69 ? -4.619 36.917 24.634 1.00 20.30 ? 48 THR A CB 1 +ATOM 359 O OG1 . THR A 1 69 ? -3.768 37.491 23.644 1.00 20.44 ? 48 THR A OG1 1 +ATOM 360 C CG2 . THR A 1 69 ? -4.860 35.453 24.277 1.00 17.40 ? 48 THR A CG2 1 +ATOM 361 N N . GLY A 1 70 ? -5.651 40.181 24.535 1.00 20.99 ? 49 GLY A N 1 +ATOM 362 C CA . GLY A 1 70 ? -5.269 41.493 25.078 1.00 20.69 ? 49 GLY A CA 1 +ATOM 363 C C . GLY A 1 70 ? -3.758 41.638 25.240 1.00 20.94 ? 49 GLY A C 1 +ATOM 364 O O . GLY A 1 70 ? -3.299 42.624 25.806 1.00 21.56 ? 49 GLY A O 1 +ATOM 365 N N . MET A 1 71 ? -2.983 40.667 24.749 1.00 19.51 ? 50 MET A N 1 +ATOM 366 C CA . MET A 1 71 ? -1.499 40.721 24.822 1.00 18.69 ? 50 MET A CA 1 +ATOM 367 C C . MET A 1 71 ? -0.883 41.715 23.837 1.00 18.94 ? 50 MET A C 1 +ATOM 368 O O . MET A 1 71 ? -1.429 41.916 22.738 1.00 19.06 ? 50 MET A O 1 +ATOM 369 C CB . MET A 1 71 ? -0.898 39.311 24.595 1.00 18.46 ? 50 MET A CB 1 +ATOM 370 C CG . MET A 1 71 ? -1.205 38.359 25.743 1.00 16.28 ? 50 MET A CG 1 +ATOM 371 S SD . MET A 1 71 ? -0.534 36.732 25.499 1.00 20.35 ? 50 MET A SD 1 +ATOM 372 C CE . MET A 1 71 ? 1.161 36.996 26.020 1.00 15.70 ? 50 MET A CE 1 +ATOM 373 N N . ARG A 1 72 ? 0.266 42.306 24.221 1.00 18.83 ? 51 ARG A N 1 +ATOM 374 C CA . ARG A 1 72 ? 0.901 43.405 23.476 1.00 18.83 ? 51 ARG A CA 1 +ATOM 375 C C . ARG A 1 72 ? 2.255 42.953 22.927 1.00 19.23 ? 51 ARG A C 1 +ATOM 376 O O . ARG A 1 72 ? 3.000 42.203 23.600 1.00 18.63 ? 51 ARG A O 1 +ATOM 377 C CB . ARG A 1 72 ? 1.111 44.671 24.362 1.00 18.43 ? 51 ARG A CB 1 +ATOM 378 C CG . ARG A 1 72 ? -0.162 45.289 24.984 1.00 17.94 ? 51 ARG A CG 1 +ATOM 379 C CD . ARG A 1 72 ? 0.141 46.584 25.739 1.00 17.07 ? 51 ARG A CD 1 +ATOM 380 N NE . ARG A 1 72 ? -1.057 47.096 26.434 1.00 17.53 ? 51 ARG A NE 1 +ATOM 381 C CZ . ARG A 1 72 ? -1.381 48.382 26.591 1.00 17.75 ? 51 ARG A CZ 1 +ATOM 382 N NH1 . ARG A 1 72 ? -0.616 49.350 26.093 1.00 15.93 ? 51 ARG A NH1 1 +ATOM 383 N NH2 . ARG A 1 72 ? -2.498 48.705 27.248 1.00 17.88 ? 51 ARG A NH2 1 +ATOM 384 N N . TYR A 1 73 ? 2.587 43.425 21.724 1.00 18.81 ? 52 TYR A N 1 +ATOM 385 C CA . TYR A 1 73 ? 3.925 43.167 21.179 1.00 20.17 ? 52 TYR A CA 1 +ATOM 386 C C . TYR A 1 73 ? 4.969 43.754 22.104 1.00 19.88 ? 52 TYR A C 1 +ATOM 387 O O . TYR A 1 73 ? 4.909 44.924 22.419 1.00 19.46 ? 52 TYR A O 1 +ATOM 388 C CB . TYR A 1 73 ? 4.063 43.715 19.744 1.00 19.61 ? 52 TYR A CB 1 +ATOM 389 C CG . TYR A 1 73 ? 3.327 42.878 18.720 1.00 21.97 ? 52 TYR A CG 1 +ATOM 390 C CD1 . TYR A 1 73 ? 4.031 42.070 17.818 1.00 22.85 ? 52 TYR A CD1 1 +ATOM 391 C CD2 . TYR A 1 73 ? 1.918 42.863 18.667 1.00 21.92 ? 52 TYR A CD2 1 +ATOM 392 C CE1 . TYR A 1 73 ? 3.370 41.301 16.883 1.00 21.48 ? 52 TYR A CE1 1 +ATOM 393 C CE2 . TYR A 1 73 ? 1.241 42.079 17.734 1.00 22.65 ? 52 TYR A CE2 1 +ATOM 394 C CZ . TYR A 1 73 ? 1.964 41.293 16.853 1.00 23.39 ? 52 TYR A CZ 1 +ATOM 395 O OH . TYR A 1 73 ? 1.315 40.519 15.914 1.00 21.36 ? 52 TYR A OH 1 +ATOM 396 N N . PRO A 1 74 ? 5.919 42.920 22.572 1.00 21.29 ? 53 PRO A N 1 +ATOM 397 C CA . PRO A 1 74 ? 7.017 43.398 23.428 1.00 21.87 ? 53 PRO A CA 1 +ATOM 398 C C . PRO A 1 74 ? 8.071 44.269 22.717 1.00 21.70 ? 53 PRO A C 1 +ATOM 399 O O . PRO A 1 74 ? 8.819 44.986 23.394 1.00 21.93 ? 53 PRO A O 1 +ATOM 400 C CB . PRO A 1 74 ? 7.642 42.106 23.998 1.00 21.72 ? 53 PRO A CB 1 +ATOM 401 C CG . PRO A 1 74 ? 7.174 40.998 23.100 1.00 22.80 ? 53 PRO A CG 1 +ATOM 402 C CD . PRO A 1 74 ? 5.885 41.443 22.446 1.00 22.07 ? 53 PRO A CD 1 +ATOM 403 N N . VAL A 1 75 ? 8.100 44.236 21.382 1.00 20.85 ? 54 VAL A N 1 +ATOM 404 C CA . VAL A 1 75 ? 9.007 45.057 20.582 1.00 21.55 ? 54 VAL A CA 1 +ATOM 405 C C . VAL A 1 75 ? 8.232 45.490 19.356 1.00 20.83 ? 54 VAL A C 1 +ATOM 406 O O . VAL A 1 75 ? 7.140 44.972 19.117 1.00 20.05 ? 54 VAL A O 1 +ATOM 407 C CB . VAL A 1 75 ? 10.281 44.275 20.107 1.00 22.98 ? 54 VAL A CB 1 +ATOM 408 C CG1 . VAL A 1 75 ? 11.079 43.719 21.297 1.00 23.11 ? 54 VAL A CG1 1 +ATOM 409 C CG2 . VAL A 1 75 ? 9.884 43.163 19.151 1.00 24.55 ? 54 VAL A CG2 1 +ATOM 410 N N . ASN A 1 76 ? 8.770 46.452 18.602 1.00 19.90 ? 55 ASN A N 1 +ATOM 411 C CA . ASN A 1 76 ? 8.127 46.907 17.367 1.00 21.21 ? 55 ASN A CA 1 +ATOM 412 C C . ASN A 1 76 ? 7.999 45.819 16.329 1.00 20.69 ? 55 ASN A C 1 +ATOM 413 O O . ASN A 1 76 ? 8.869 44.984 16.187 1.00 21.68 ? 55 ASN A O 1 +ATOM 414 C CB . ASN A 1 76 ? 8.838 48.129 16.748 1.00 20.69 ? 55 ASN A CB 1 +ATOM 415 C CG . ASN A 1 76 ? 9.109 49.224 17.771 1.00 20.45 ? 55 ASN A CG 1 +ATOM 416 O OD1 . ASN A 1 76 ? 8.221 50.008 18.123 1.00 17.26 ? 55 ASN A OD1 1 +ATOM 417 N ND2 . ASN A 1 76 ? 10.351 49.292 18.238 1.00 18.77 ? 55 ASN A ND2 1 +ATOM 418 N N . TYR A 1 77 ? 6.903 45.849 15.596 1.00 20.79 ? 56 TYR A N 1 +ATOM 419 C CA . TYR A 1 77 ? 6.622 44.831 14.583 1.00 20.61 ? 56 TYR A CA 1 +ATOM 420 C C . TYR A 1 77 ? 6.243 45.465 13.238 1.00 20.45 ? 56 TYR A C 1 +ATOM 421 O O . TYR A 1 77 ? 5.457 46.410 13.177 1.00 19.77 ? 56 TYR A O 1 +ATOM 422 C CB . TYR A 1 77 ? 5.479 43.957 15.068 1.00 20.53 ? 56 TYR A CB 1 +ATOM 423 C CG . TYR A 1 77 ? 5.162 42.754 14.189 1.00 22.99 ? 56 TYR A CG 1 +ATOM 424 C CD1 . TYR A 1 77 ? 6.112 41.762 13.982 1.00 23.35 ? 56 TYR A CD1 1 +ATOM 425 C CD2 . TYR A 1 77 ? 3.898 42.608 13.593 1.00 22.26 ? 56 TYR A CD2 1 +ATOM 426 C CE1 . TYR A 1 77 ? 5.834 40.653 13.201 1.00 24.86 ? 56 TYR A CE1 1 +ATOM 427 C CE2 . TYR A 1 77 ? 3.606 41.493 12.825 1.00 25.04 ? 56 TYR A CE2 1 +ATOM 428 C CZ . TYR A 1 77 ? 4.585 40.513 12.637 1.00 26.22 ? 56 TYR A CZ 1 +ATOM 429 O OH . TYR A 1 77 ? 4.338 39.402 11.853 1.00 26.67 ? 56 TYR A OH 1 +ATOM 430 N N . GLY A 1 78 ? 6.814 44.934 12.167 1.00 20.57 ? 57 GLY A N 1 +ATOM 431 C CA . GLY A 1 78 ? 6.543 45.425 10.820 1.00 20.64 ? 57 GLY A CA 1 +ATOM 432 C C . GLY A 1 78 ? 7.020 44.440 9.773 1.00 20.42 ? 57 GLY A C 1 +ATOM 433 O O . GLY A 1 78 ? 7.108 43.230 10.030 1.00 20.25 ? 57 GLY A O 1 +ATOM 434 N N . PHE A 1 79 ? 7.317 44.956 8.590 1.00 21.49 ? 58 PHE A N 1 +ATOM 435 C CA . PHE A 1 79 ? 7.723 44.098 7.462 1.00 22.42 ? 58 PHE A CA 1 +ATOM 436 C C . PHE A 1 79 ? 8.739 44.803 6.557 1.00 21.95 ? 58 PHE A C 1 +ATOM 437 O O . PHE A 1 79 ? 8.846 46.035 6.548 1.00 21.27 ? 58 PHE A O 1 +ATOM 438 C CB . PHE A 1 79 ? 6.473 43.668 6.628 1.00 22.41 ? 58 PHE A CB 1 +ATOM 439 C CG . PHE A 1 79 ? 5.792 44.818 5.923 1.00 25.13 ? 58 PHE A CG 1 +ATOM 440 C CD1 . PHE A 1 79 ? 6.084 45.105 4.587 1.00 25.77 ? 58 PHE A CD1 1 +ATOM 441 C CD2 . PHE A 1 79 ? 4.881 45.626 6.598 1.00 22.93 ? 58 PHE A CD2 1 +ATOM 442 C CE1 . PHE A 1 79 ? 5.476 46.166 3.936 1.00 24.40 ? 58 PHE A CE1 1 +ATOM 443 C CE2 . PHE A 1 79 ? 4.289 46.717 5.972 1.00 23.86 ? 58 PHE A CE2 1 +ATOM 444 C CZ . PHE A 1 79 ? 4.575 46.987 4.632 1.00 26.77 ? 58 PHE A CZ 1 +ATOM 445 N N . ILE A 1 80 ? 9.456 44.013 5.766 1.00 22.61 ? 59 ILE A N 1 +ATOM 446 C CA . ILE A 1 80 ? 10.300 44.571 4.683 1.00 23.33 ? 59 ILE A CA 1 +ATOM 447 C C . ILE A 1 80 ? 9.523 44.749 3.371 1.00 23.32 ? 59 ILE A C 1 +ATOM 448 O O . ILE A 1 80 ? 9.003 43.779 2.827 1.00 24.29 ? 59 ILE A O 1 +ATOM 449 C CB . ILE A 1 80 ? 11.557 43.690 4.429 1.00 22.84 ? 59 ILE A CB 1 +ATOM 450 C CG1 . ILE A 1 80 ? 12.281 43.398 5.748 1.00 22.43 ? 59 ILE A CG1 1 +ATOM 451 C CG2 . ILE A 1 80 ? 12.476 44.360 3.354 1.00 22.00 ? 59 ILE A CG2 1 +ATOM 452 C CD1 . ILE A 1 80 ? 13.474 42.443 5.622 1.00 19.09 ? 59 ILE A CD1 1 +ATOM 453 N N . PRO A 1 81 ? 9.420 45.985 2.872 1.00 24.84 ? 60 PRO A N 1 +ATOM 454 C CA . PRO A 1 81 ? 8.675 46.182 1.622 1.00 26.36 ? 60 PRO A CA 1 +ATOM 455 C C . PRO A 1 81 ? 9.384 45.522 0.421 1.00 27.39 ? 60 PRO A C 1 +ATOM 456 O O . PRO A 1 81 ? 10.605 45.317 0.441 1.00 27.93 ? 60 PRO A O 1 +ATOM 457 C CB . PRO A 1 81 ? 8.639 47.712 1.456 1.00 25.61 ? 60 PRO A CB 1 +ATOM 458 C CG . PRO A 1 81 ? 9.839 48.222 2.254 1.00 25.88 ? 60 PRO A CG 1 +ATOM 459 C CD . PRO A 1 81 ? 9.955 47.257 3.418 1.00 25.38 ? 60 PRO A CD 1 +ATOM 460 N N . GLN A 1 82 ? 8.609 45.181 -0.600 1.00 28.29 ? 61 GLN A N 1 +ATOM 461 C CA . GLN A 1 82 ? 9.159 44.570 -1.809 1.00 29.22 ? 61 GLN A CA 1 +ATOM 462 C C . GLN A 1 82 ? 9.810 43.208 -1.540 1.00 29.01 ? 61 GLN A C 1 +ATOM 463 O O . GLN A 1 82 ? 10.828 42.854 -2.136 1.00 28.95 ? 61 GLN A O 1 +ATOM 464 C CB . GLN A 1 82 ? 10.069 45.568 -2.526 1.00 29.21 ? 61 GLN A CB 1 +ATOM 465 C CG . GLN A 1 82 ? 9.202 46.671 -3.102 1.00 34.78 ? 61 GLN A CG 1 +ATOM 466 C CD . GLN A 1 82 ? 9.957 47.810 -3.699 1.00 43.57 ? 61 GLN A CD 1 +ATOM 467 O OE1 . GLN A 1 82 ? 9.386 48.866 -3.940 1.00 47.87 ? 61 GLN A OE1 1 +ATOM 468 N NE2 . GLN A 1 82 ? 11.245 47.619 -3.948 1.00 46.49 ? 61 GLN A NE2 1 +ATOM 469 N N . THR A 1 83 ? 9.218 42.458 -0.616 1.00 28.00 ? 62 THR A N 1 +ATOM 470 C CA . THR A 1 83 ? 9.631 41.093 -0.365 1.00 28.25 ? 62 THR A CA 1 +ATOM 471 C C . THR A 1 83 ? 8.383 40.230 -0.370 1.00 29.87 ? 62 THR A C 1 +ATOM 472 O O . THR A 1 83 ? 7.269 40.730 -0.203 1.00 29.15 ? 62 THR A O 1 +ATOM 473 C CB . THR A 1 83 ? 10.397 40.905 0.989 1.00 28.15 ? 62 THR A CB 1 +ATOM 474 O OG1 . THR A 1 83 ? 9.545 41.234 2.104 1.00 27.37 ? 62 THR A OG1 1 +ATOM 475 C CG2 . THR A 1 83 ? 11.679 41.753 1.027 1.00 26.31 ? 62 THR A CG2 1 +ATOM 476 N N . LEU A 1 84 ? 8.566 38.932 -0.548 1.00 31.16 ? 63 LEU A N 1 +ATOM 477 C CA . LEU A 1 84 ? 7.455 38.007 -0.575 1.00 33.88 ? 63 LEU A CA 1 +ATOM 478 C C . LEU A 1 84 ? 7.944 36.718 0.039 1.00 35.46 ? 63 LEU A C 1 +ATOM 479 O O . LEU A 1 84 ? 8.786 36.019 -0.523 1.00 35.30 ? 63 LEU A O 1 +ATOM 480 C CB . LEU A 1 84 ? 6.945 37.808 -2.016 1.00 33.87 ? 63 LEU A CB 1 +ATOM 481 C CG . LEU A 1 84 ? 5.795 36.841 -2.280 1.00 34.60 ? 63 LEU A CG 1 +ATOM 482 C CD1 . LEU A 1 84 ? 4.662 37.180 -1.363 1.00 36.93 ? 63 LEU A CD1 1 +ATOM 483 C CD2 . LEU A 1 84 ? 5.340 36.969 -3.724 1.00 36.15 ? 63 LEU A CD2 1 +ATOM 484 N N . SER A 1 85 ? 7.437 36.436 1.230 1.00 38.38 ? 64 SER A N 1 +ATOM 485 C CA . SER A 1 85 ? 7.886 35.307 2.023 1.00 41.11 ? 64 SER A CA 1 +ATOM 486 C C . SER A 1 85 ? 7.191 34.036 1.577 1.00 43.10 ? 64 SER A C 1 +ATOM 487 O O . SER A 1 85 ? 6.349 34.064 0.671 1.00 42.92 ? 64 SER A O 1 +ATOM 488 C CB . SER A 1 85 ? 7.564 35.543 3.500 1.00 41.35 ? 64 SER A CB 1 +ATOM 489 O OG . SER A 1 85 ? 8.363 34.696 4.315 1.00 42.71 ? 64 SER A OG 1 +ATOM 490 N N . GLY A 1 86 ? 7.537 32.927 2.229 1.00 45.14 ? 65 GLY A N 1 +ATOM 491 C CA . GLY A 1 86 ? 6.892 31.638 1.968 1.00 47.76 ? 65 GLY A CA 1 +ATOM 492 C C . GLY A 1 86 ? 5.362 31.636 2.005 1.00 49.24 ? 65 GLY A C 1 +ATOM 493 O O . GLY A 1 86 ? 4.723 30.859 1.293 1.00 50.21 ? 65 GLY A O 1 +ATOM 494 N N . ASP A 1 87 ? 4.753 32.482 2.832 1.00 50.27 ? 66 ASP A N 1 +ATOM 495 C CA . ASP A 1 87 ? 3.284 32.510 2.911 1.00 50.78 ? 66 ASP A CA 1 +ATOM 496 C C . ASP A 1 87 ? 2.609 33.496 1.940 1.00 50.21 ? 66 ASP A C 1 +ATOM 497 O O . ASP A 1 87 ? 1.385 33.600 1.897 1.00 50.77 ? 66 ASP A O 1 +ATOM 498 C CB . ASP A 1 87 ? 2.820 32.798 4.342 1.00 51.29 ? 66 ASP A CB 1 +ATOM 499 C CG . ASP A 1 87 ? 3.509 34.005 4.947 1.00 54.17 ? 66 ASP A CG 1 +ATOM 500 O OD1 . ASP A 1 87 ? 3.722 35.014 4.219 1.00 55.27 ? 66 ASP A OD1 1 +ATOM 501 O OD2 . ASP A 1 87 ? 3.843 33.936 6.161 1.00 57.76 ? 66 ASP A OD2 1 +ATOM 502 N N . GLY A 1 88 ? 3.379 34.233 1.160 1.00 48.96 ? 67 GLY A N 1 +ATOM 503 C CA . GLY A 1 88 ? 2.739 35.181 0.272 1.00 47.16 ? 67 GLY A CA 1 +ATOM 504 C C . GLY A 1 88 ? 2.604 36.550 0.903 1.00 45.61 ? 67 GLY A C 1 +ATOM 505 O O . GLY A 1 88 ? 2.093 37.467 0.266 1.00 46.42 ? 67 GLY A O 1 +ATOM 506 N N . ASP A 1 89 ? 3.068 36.690 2.147 1.00 44.01 ? 68 ASP A N 1 +ATOM 507 C CA . ASP A 1 89 ? 3.176 37.990 2.828 1.00 41.68 ? 68 ASP A CA 1 +ATOM 508 C C . ASP A 1 89 ? 4.634 38.442 2.804 1.00 38.69 ? 68 ASP A C 1 +ATOM 509 O O . ASP A 1 89 ? 5.530 37.609 2.702 1.00 38.18 ? 68 ASP A O 1 +ATOM 510 C CB . ASP A 1 89 ? 2.772 37.862 4.299 1.00 43.06 ? 68 ASP A CB 1 +ATOM 511 C CG . ASP A 1 89 ? 1.260 37.693 4.501 1.00 47.11 ? 68 ASP A CG 1 +ATOM 512 O OD1 . ASP A 1 89 ? 0.458 38.106 3.618 1.00 50.50 ? 68 ASP A OD1 1 +ATOM 513 O OD2 . ASP A 1 89 ? 0.885 37.144 5.569 1.00 51.66 ? 68 ASP A OD2 1 +ATOM 514 N N . PRO A 1 90 ? 4.880 39.755 2.945 1.00 35.51 ? 69 PRO A N 1 +ATOM 515 C CA . PRO A 1 90 ? 6.253 40.252 3.039 1.00 33.20 ? 69 PRO A CA 1 +ATOM 516 C C . PRO A 1 90 ? 7.007 39.648 4.217 1.00 31.00 ? 69 PRO A C 1 +ATOM 517 O O . PRO A 1 90 ? 6.388 39.081 5.103 1.00 30.18 ? 69 PRO A O 1 +ATOM 518 C CB . PRO A 1 90 ? 6.082 41.767 3.260 1.00 33.04 ? 69 PRO A CB 1 +ATOM 519 C CG . PRO A 1 90 ? 4.739 42.103 2.734 1.00 35.64 ? 69 PRO A CG 1 +ATOM 520 C CD . PRO A 1 90 ? 3.880 40.839 2.971 1.00 35.76 ? 69 PRO A CD 1 +ATOM 521 N N . VAL A 1 91 ? 8.336 39.778 4.232 1.00 29.44 ? 70 VAL A N 1 +ATOM 522 C CA . VAL A 1 91 ? 9.151 39.250 5.348 1.00 27.95 ? 70 VAL A CA 1 +ATOM 523 C C . VAL A 1 91 ? 8.837 40.047 6.625 1.00 26.77 ? 70 VAL A C 1 +ATOM 524 O O . VAL A 1 91 ? 8.915 41.270 6.619 1.00 26.46 ? 70 VAL A O 1 +ATOM 525 C CB . VAL A 1 91 ? 10.703 39.275 5.026 1.00 27.88 ? 70 VAL A CB 1 +ATOM 526 C CG1 . VAL A 1 91 ? 11.514 38.958 6.258 1.00 27.39 ? 70 VAL A CG1 1 +ATOM 527 C CG2 . VAL A 1 91 ? 11.056 38.280 3.898 1.00 27.44 ? 70 VAL A CG2 1 +ATOM 528 N N . ASP A 1 92 ? 8.452 39.351 7.693 1.00 26.51 ? 71 ASP A N 1 +ATOM 529 C CA . ASP A 1 92 ? 8.153 39.968 9.014 1.00 26.25 ? 71 ASP A CA 1 +ATOM 530 C C . ASP A 1 92 ? 9.381 40.260 9.866 1.00 25.56 ? 71 ASP A C 1 +ATOM 531 O O . ASP A 1 92 ? 10.322 39.450 9.926 1.00 25.69 ? 71 ASP A O 1 +ATOM 532 C CB . ASP A 1 92 ? 7.284 39.034 9.838 1.00 26.37 ? 71 ASP A CB 1 +ATOM 533 C CG . ASP A 1 92 ? 5.942 38.790 9.227 1.00 28.24 ? 71 ASP A CG 1 +ATOM 534 O OD1 . ASP A 1 92 ? 5.331 39.745 8.677 1.00 30.97 ? 71 ASP A OD1 1 +ATOM 535 O OD2 . ASP A 1 92 ? 5.496 37.624 9.306 1.00 28.38 ? 71 ASP A OD2 1 +ATOM 536 N N . VAL A 1 93 ? 9.362 41.410 10.542 1.00 24.69 ? 72 VAL A N 1 +ATOM 537 C CA . VAL A 1 93 ? 10.480 41.870 11.382 1.00 22.19 ? 72 VAL A CA 1 +ATOM 538 C C . VAL A 1 93 ? 10.034 42.475 12.735 1.00 22.12 ? 72 VAL A C 1 +ATOM 539 O O . VAL A 1 93 ? 9.148 43.330 12.811 1.00 21.39 ? 72 VAL A O 1 +ATOM 540 C CB . VAL A 1 93 ? 11.395 42.879 10.629 1.00 22.97 ? 72 VAL A CB 1 +ATOM 541 C CG1 . VAL A 1 93 ? 12.704 43.137 11.390 1.00 20.10 ? 72 VAL A CG1 1 +ATOM 542 C CG2 . VAL A 1 93 ? 11.667 42.402 9.171 1.00 21.68 ? 72 VAL A CG2 1 +ATOM 543 N N . LEU A 1 94 ? 10.666 41.984 13.798 1.00 21.86 ? 73 LEU A N 1 +ATOM 544 C CA . LEU A 1 94 ? 10.673 42.593 15.127 1.00 21.24 ? 73 LEU A CA 1 +ATOM 545 C C . LEU A 1 94 ? 11.900 43.511 15.274 1.00 21.59 ? 73 LEU A C 1 +ATOM 546 O O . LEU A 1 94 ? 13.030 43.037 15.180 1.00 22.50 ? 73 LEU A O 1 +ATOM 547 C CB . LEU A 1 94 ? 10.739 41.468 16.172 1.00 21.37 ? 73 LEU A CB 1 +ATOM 548 C CG . LEU A 1 94 ? 9.561 40.490 16.014 1.00 21.82 ? 73 LEU A CG 1 +ATOM 549 C CD1 . LEU A 1 94 ? 9.902 39.045 16.446 1.00 23.52 ? 73 LEU A CD1 1 +ATOM 550 C CD2 . LEU A 1 94 ? 8.331 41.011 16.770 1.00 20.84 ? 73 LEU A CD2 1 +ATOM 551 N N . VAL A 1 95 ? 11.681 44.815 15.494 1.00 20.95 ? 74 VAL A N 1 +ATOM 552 C CA . VAL A 1 95 ? 12.752 45.796 15.684 1.00 19.54 ? 74 VAL A CA 1 +ATOM 553 C C . VAL A 1 95 ? 12.771 46.277 17.140 1.00 20.67 ? 74 VAL A C 1 +ATOM 554 O O . VAL A 1 95 ? 11.768 46.843 17.646 1.00 19.81 ? 74 VAL A O 1 +ATOM 555 C CB . VAL A 1 95 ? 12.558 47.027 14.796 1.00 19.11 ? 74 VAL A CB 1 +ATOM 556 C CG1 . VAL A 1 95 ? 13.790 47.916 14.808 1.00 16.39 ? 74 VAL A CG1 1 +ATOM 557 C CG2 . VAL A 1 95 ? 12.228 46.592 13.359 1.00 19.06 ? 74 VAL A CG2 1 +ATOM 558 N N . ILE A 1 96 ? 13.897 46.030 17.812 1.00 20.76 ? 75 ILE A N 1 +ATOM 559 C CA . ILE A 1 96 ? 14.131 46.466 19.213 1.00 21.77 ? 75 ILE A CA 1 +ATOM 560 C C . ILE A 1 96 ? 14.639 47.928 19.210 1.00 22.17 ? 75 ILE A C 1 +ATOM 561 O O . ILE A 1 96 ? 15.604 48.245 18.487 1.00 22.78 ? 75 ILE A O 1 +ATOM 562 C CB . ILE A 1 96 ? 15.171 45.535 19.898 1.00 21.89 ? 75 ILE A CB 1 +ATOM 563 C CG1 . ILE A 1 96 ? 14.703 44.087 19.786 1.00 21.31 ? 75 ILE A CG1 1 +ATOM 564 C CG2 . ILE A 1 96 ? 15.461 45.946 21.348 1.00 21.98 ? 75 ILE A CG2 1 +ATOM 565 C CD1 . ILE A 1 96 ? 15.763 43.077 20.206 1.00 21.97 ? 75 ILE A CD1 1 +ATOM 566 N N . THR A 1 97 ? 13.967 48.806 19.964 1.00 21.05 ? 76 THR A N 1 +ATOM 567 C CA . THR A 1 97 ? 14.385 50.220 20.093 1.00 20.95 ? 76 THR A CA 1 +ATOM 568 C C . THR A 1 97 ? 14.241 50.718 21.543 1.00 20.55 ? 76 THR A C 1 +ATOM 569 O O . THR A 1 97 ? 13.450 50.161 22.299 1.00 19.88 ? 76 THR A O 1 +ATOM 570 C CB . THR A 1 97 ? 13.551 51.151 19.153 1.00 20.86 ? 76 THR A CB 1 +ATOM 571 O OG1 . THR A 1 97 ? 12.167 51.040 19.496 1.00 19.99 ? 76 THR A OG1 1 +ATOM 572 C CG2 . THR A 1 97 ? 13.745 50.762 17.658 1.00 18.48 ? 76 THR A CG2 1 +ATOM 573 N N . PRO A 1 98 ? 14.992 51.770 21.934 1.00 20.91 ? 77 PRO A N 1 +ATOM 574 C CA . PRO A 1 98 ? 14.763 52.260 23.309 1.00 21.70 ? 77 PRO A CA 1 +ATOM 575 C C . PRO A 1 98 ? 13.382 52.961 23.583 1.00 21.66 ? 77 PRO A C 1 +ATOM 576 O O . PRO A 1 98 ? 12.953 53.016 24.743 1.00 21.57 ? 77 PRO A O 1 +ATOM 577 C CB . PRO A 1 98 ? 15.953 53.209 23.563 1.00 21.31 ? 77 PRO A CB 1 +ATOM 578 C CG . PRO A 1 98 ? 16.481 53.561 22.213 1.00 21.76 ? 77 PRO A CG 1 +ATOM 579 C CD . PRO A 1 98 ? 16.165 52.408 21.295 1.00 20.66 ? 77 PRO A CD 1 +ATOM 580 N N . PHE A 1 99 ? 12.709 53.456 22.545 1.00 20.64 ? 78 PHE A N 1 +ATOM 581 C CA . PHE A 1 99 ? 11.360 54.051 22.662 1.00 21.02 ? 78 PHE A CA 1 +ATOM 582 C C . PHE A 1 99 ? 10.529 53.502 21.508 1.00 20.26 ? 78 PHE A C 1 +ATOM 583 O O . PHE A 1 99 ? 11.074 53.303 20.404 1.00 20.09 ? 78 PHE A O 1 +ATOM 584 C CB . PHE A 1 99 ? 11.409 55.603 22.539 1.00 20.99 ? 78 PHE A CB 1 +ATOM 585 C CG . PHE A 1 99 ? 12.129 56.296 23.695 1.00 22.97 ? 78 PHE A CG 1 +ATOM 586 C CD1 . PHE A 1 99 ? 11.482 56.496 24.931 1.00 22.93 ? 78 PHE A CD1 1 +ATOM 587 C CD2 . PHE A 1 99 ? 13.446 56.731 23.549 1.00 20.66 ? 78 PHE A CD2 1 +ATOM 588 C CE1 . PHE A 1 99 ? 12.148 57.089 25.992 1.00 23.48 ? 78 PHE A CE1 1 +ATOM 589 C CE2 . PHE A 1 99 ? 14.113 57.329 24.597 1.00 21.65 ? 78 PHE A CE2 1 +ATOM 590 C CZ . PHE A 1 99 ? 13.472 57.507 25.823 1.00 23.50 ? 78 PHE A CZ 1 +ATOM 591 N N . PRO A 1 100 ? 9.201 53.295 21.718 1.00 20.67 ? 79 PRO A N 1 +ATOM 592 C CA . PRO A 1 100 ? 8.431 52.730 20.586 1.00 19.72 ? 79 PRO A CA 1 +ATOM 593 C C . PRO A 1 100 ? 8.502 53.606 19.329 1.00 19.61 ? 79 PRO A C 1 +ATOM 594 O O . PRO A 1 100 ? 8.687 54.817 19.437 1.00 18.61 ? 79 PRO A O 1 +ATOM 595 C CB . PRO A 1 100 ? 6.993 52.618 21.137 1.00 20.21 ? 79 PRO A CB 1 +ATOM 596 C CG . PRO A 1 100 ? 7.184 52.577 22.674 1.00 21.91 ? 79 PRO A CG 1 +ATOM 597 C CD . PRO A 1 100 ? 8.355 53.522 22.918 1.00 19.80 ? 79 PRO A CD 1 +ATOM 598 N N . LEU A 1 101 ? 8.406 52.986 18.147 1.00 19.41 ? 80 LEU A N 1 +ATOM 599 C CA . LEU A 1 101 ? 8.376 53.710 16.869 1.00 19.62 ? 80 LEU A CA 1 +ATOM 600 C C . LEU A 1 101 ? 6.920 53.965 16.446 1.00 20.50 ? 80 LEU A C 1 +ATOM 601 O O . LEU A 1 101 ? 5.997 53.210 16.777 1.00 19.42 ? 80 LEU A O 1 +ATOM 602 C CB . LEU A 1 101 ? 9.054 52.878 15.740 1.00 19.52 ? 80 LEU A CB 1 +ATOM 603 C CG . LEU A 1 101 ? 10.550 52.569 15.948 1.00 19.77 ? 80 LEU A CG 1 +ATOM 604 C CD1 . LEU A 1 101 ? 11.033 51.619 14.875 1.00 18.38 ? 80 LEU A CD1 1 +ATOM 605 C CD2 . LEU A 1 101 ? 11.365 53.875 15.950 1.00 18.69 ? 80 LEU A CD2 1 +ATOM 606 N N . LEU A 1 102 ? 6.753 55.018 15.663 1.00 21.45 ? 81 LEU A N 1 +ATOM 607 C CA . LEU A 1 102 ? 5.481 55.415 15.076 1.00 21.99 ? 81 LEU A CA 1 +ATOM 608 C C . LEU A 1 102 ? 4.960 54.399 14.062 1.00 21.60 ? 81 LEU A C 1 +ATOM 609 O O . LEU A 1 102 ? 5.681 54.045 13.128 1.00 21.18 ? 81 LEU A O 1 +ATOM 610 C CB . LEU A 1 102 ? 5.765 56.717 14.338 1.00 22.29 ? 81 LEU A CB 1 +ATOM 611 C CG . LEU A 1 102 ? 4.838 57.896 14.175 1.00 28.01 ? 81 LEU A CG 1 +ATOM 612 C CD1 . LEU A 1 102 ? 3.889 58.076 15.398 1.00 30.54 ? 81 LEU A CD1 1 +ATOM 613 C CD2 . LEU A 1 102 ? 5.729 59.117 13.976 1.00 30.14 ? 81 LEU A CD2 1 +ATOM 614 N N . ALA A 1 103 ? 3.701 53.961 14.200 1.00 20.50 ? 82 ALA A N 1 +ATOM 615 C CA . ALA A 1 103 ? 3.095 53.083 13.205 1.00 20.23 ? 82 ALA A CA 1 +ATOM 616 C C . ALA A 1 103 ? 3.032 53.805 11.851 1.00 20.71 ? 82 ALA A C 1 +ATOM 617 O O . ALA A 1 103 ? 2.606 54.969 11.775 1.00 19.92 ? 82 ALA A O 1 +ATOM 618 C CB . ALA A 1 103 ? 1.685 52.621 13.648 1.00 19.13 ? 82 ALA A CB 1 +ATOM 619 N N . GLY A 1 104 ? 3.473 53.115 10.797 1.00 21.09 ? 83 GLY A N 1 +ATOM 620 C CA . GLY A 1 104 ? 3.454 53.652 9.450 1.00 21.60 ? 83 GLY A CA 1 +ATOM 621 C C . GLY A 1 104 ? 4.756 54.354 9.070 1.00 22.41 ? 83 GLY A C 1 +ATOM 622 O O . GLY A 1 104 ? 4.908 54.785 7.922 1.00 22.78 ? 83 GLY A O 1 +ATOM 623 N N . SER A 1 105 ? 5.675 54.500 10.026 1.00 21.49 ? 84 SER A N 1 +ATOM 624 C CA . SER A 1 105 ? 7.003 55.049 9.743 1.00 22.62 ? 84 SER A CA 1 +ATOM 625 C C . SER A 1 105 ? 7.955 53.963 9.176 1.00 23.06 ? 84 SER A C 1 +ATOM 626 O O . SER A 1 105 ? 7.665 52.766 9.271 1.00 23.25 ? 84 SER A O 1 +ATOM 627 C CB . SER A 1 105 ? 7.612 55.745 10.986 1.00 21.55 ? 84 SER A CB 1 +ATOM 628 O OG . SER A 1 105 ? 7.949 54.826 12.039 1.00 21.85 ? 84 SER A OG 1 +ATOM 629 N N . VAL A 1 106 ? 9.091 54.414 8.626 1.00 23.53 ? 85 VAL A N 1 +ATOM 630 C CA . VAL A 1 106 ? 10.136 53.570 8.060 1.00 22.93 ? 85 VAL A CA 1 +ATOM 631 C C . VAL A 1 106 ? 11.427 53.725 8.856 1.00 22.89 ? 85 VAL A C 1 +ATOM 632 O O . VAL A 1 106 ? 11.826 54.860 9.204 1.00 23.40 ? 85 VAL A O 1 +ATOM 633 C CB . VAL A 1 106 ? 10.436 53.956 6.572 1.00 23.72 ? 85 VAL A CB 1 +ATOM 634 C CG1 . VAL A 1 106 ? 11.236 52.843 5.886 1.00 23.82 ? 85 VAL A CG1 1 +ATOM 635 C CG2 . VAL A 1 106 ? 9.154 54.114 5.810 1.00 23.40 ? 85 VAL A CG2 1 +ATOM 636 N N . VAL A 1 107 ? 12.073 52.594 9.143 1.00 21.59 ? 86 VAL A N 1 +ATOM 637 C CA . VAL A 1 107 ? 13.346 52.564 9.868 1.00 21.61 ? 86 VAL A CA 1 +ATOM 638 C C . VAL A 1 107 ? 14.397 51.698 9.102 1.00 22.02 ? 86 VAL A C 1 +ATOM 639 O O . VAL A 1 107 ? 14.128 50.570 8.703 1.00 21.87 ? 86 VAL A O 1 +ATOM 640 C CB . VAL A 1 107 ? 13.192 52.095 11.360 1.00 21.44 ? 86 VAL A CB 1 +ATOM 641 C CG1 . VAL A 1 107 ? 12.660 50.635 11.465 1.00 20.11 ? 86 VAL A CG1 1 +ATOM 642 C CG2 . VAL A 1 107 ? 14.521 52.237 12.127 1.00 19.16 ? 86 VAL A CG2 1 +ATOM 643 N N . ARG A 1 108 ? 15.561 52.278 8.859 1.00 21.94 ? 87 ARG A N 1 +ATOM 644 C CA . ARG A 1 108 ? 16.701 51.555 8.303 1.00 22.74 ? 87 ARG A CA 1 +ATOM 645 C C . ARG A 1 108 ? 17.227 50.629 9.390 1.00 22.19 ? 87 ARG A C 1 +ATOM 646 O O . ARG A 1 108 ? 17.477 51.113 10.489 1.00 22.02 ? 87 ARG A O 1 +ATOM 647 C CB . ARG A 1 108 ? 17.783 52.582 7.935 1.00 23.60 ? 87 ARG A CB 1 +ATOM 648 C CG . ARG A 1 108 ? 18.974 51.991 7.197 1.00 23.36 ? 87 ARG A CG 1 +ATOM 649 C CD . ARG A 1 108 ? 19.981 53.075 6.916 1.00 25.35 ? 87 ARG A CD 1 +ATOM 650 N NE . ARG A 1 108 ? 21.014 52.623 5.994 1.00 26.55 ? 87 ARG A NE 1 +ATOM 651 C CZ . ARG A 1 108 ? 22.042 53.356 5.581 1.00 30.00 ? 87 ARG A CZ 1 +ATOM 652 N NH1 . ARG A 1 108 ? 22.199 54.589 6.009 1.00 30.00 ? 87 ARG A NH1 1 +ATOM 653 N NH2 . ARG A 1 108 ? 22.922 52.846 4.730 1.00 29.59 ? 87 ARG A NH2 1 +ATOM 654 N N . ALA A 1 109 ? 17.362 49.318 9.097 1.00 21.61 ? 88 ALA A N 1 +ATOM 655 C CA . ALA A 1 109 ? 17.679 48.293 10.097 1.00 20.95 ? 88 ALA A CA 1 +ATOM 656 C C . ALA A 1 109 ? 18.751 47.274 9.647 1.00 21.61 ? 88 ALA A C 1 +ATOM 657 O O . ALA A 1 109 ? 19.144 47.220 8.463 1.00 21.00 ? 88 ALA A O 1 +ATOM 658 C CB . ALA A 1 109 ? 16.418 47.553 10.513 1.00 21.45 ? 88 ALA A CB 1 +ATOM 659 N N . ARG A 1 110 ? 19.239 46.501 10.616 1.00 21.20 ? 89 ARG A N 1 +ATOM 660 C CA . ARG A 1 110 ? 20.154 45.376 10.373 1.00 21.57 ? 89 ARG A CA 1 +ATOM 661 C C . ARG A 1 110 ? 19.695 44.194 11.214 1.00 21.96 ? 89 ARG A C 1 +ATOM 662 O O . ARG A 1 110 ? 19.012 44.373 12.257 1.00 21.50 ? 89 ARG A O 1 +ATOM 663 C CB . ARG A 1 110 ? 21.613 45.764 10.731 1.00 20.98 ? 89 ARG A CB 1 +ATOM 664 C CG . ARG A 1 110 ? 21.869 45.980 12.223 1.00 19.77 ? 89 ARG A CG 1 +ATOM 665 C CD . ARG A 1 110 ? 23.319 46.440 12.496 1.00 21.57 ? 89 ARG A CD 1 +ATOM 666 N NE . ARG A 1 110 ? 23.500 46.936 13.863 1.00 20.57 ? 89 ARG A NE 1 +ATOM 667 C CZ . ARG A 1 110 ? 23.630 46.151 14.929 1.00 21.84 ? 89 ARG A CZ 1 +ATOM 668 N NH1 . ARG A 1 110 ? 23.633 44.840 14.798 1.00 19.04 ? 89 ARG A NH1 1 +ATOM 669 N NH2 . ARG A 1 110 ? 23.774 46.671 16.132 1.00 24.53 ? 89 ARG A NH2 1 +ATOM 670 N N . ALA A 1 111 ? 20.093 42.985 10.816 1.00 22.44 ? 90 ALA A N 1 +ATOM 671 C CA . ALA A 1 111 ? 19.509 41.774 11.382 1.00 23.02 ? 90 ALA A CA 1 +ATOM 672 C C . ALA A 1 111 ? 20.309 41.265 12.545 1.00 23.69 ? 90 ALA A C 1 +ATOM 673 O O . ALA A 1 111 ? 21.524 41.444 12.591 1.00 24.80 ? 90 ALA A O 1 +ATOM 674 C CB . ALA A 1 111 ? 19.382 40.685 10.333 1.00 23.51 ? 90 ALA A CB 1 +ATOM 675 N N . LEU A 1 112 ? 19.625 40.629 13.495 1.00 24.22 ? 91 LEU A N 1 +ATOM 676 C CA . LEU A 1 112 ? 20.296 39.970 14.629 1.00 24.39 ? 91 LEU A CA 1 +ATOM 677 C C . LEU A 1 112 ? 20.118 38.460 14.517 1.00 24.55 ? 91 LEU A C 1 +ATOM 678 O O . LEU A 1 112 ? 20.957 37.687 15.007 1.00 25.20 ? 91 LEU A O 1 +ATOM 679 C CB . LEU A 1 112 ? 19.727 40.438 15.986 1.00 23.48 ? 91 LEU A CB 1 +ATOM 680 C CG . LEU A 1 112 ? 19.877 41.904 16.414 1.00 22.92 ? 91 LEU A CG 1 +ATOM 681 C CD1 . LEU A 1 112 ? 19.353 42.033 17.849 1.00 22.77 ? 91 LEU A CD1 1 +ATOM 682 C CD2 . LEU A 1 112 ? 21.316 42.376 16.328 1.00 23.57 ? 91 LEU A CD2 1 +ATOM 683 N N . GLY A 1 113 ? 19.021 38.032 13.890 1.00 25.11 ? 92 GLY A N 1 +ATOM 684 C CA . GLY A 1 113 ? 18.676 36.607 13.886 1.00 24.76 ? 92 GLY A CA 1 +ATOM 685 C C . GLY A 1 113 ? 17.206 36.405 13.589 1.00 25.72 ? 92 GLY A C 1 +ATOM 686 O O . GLY A 1 113 ? 16.566 37.253 12.962 1.00 24.40 ? 92 GLY A O 1 +ATOM 687 N N . MET A 1 114 ? 16.646 35.283 14.026 1.00 26.58 ? 93 MET A N 1 +ATOM 688 C CA . MET A 1 114 ? 15.233 35.027 13.722 1.00 28.72 ? 93 MET A CA 1 +ATOM 689 C C . MET A 1 114 ? 14.593 34.024 14.653 1.00 28.92 ? 93 MET A C 1 +ATOM 690 O O . MET A 1 114 ? 15.277 33.173 15.231 1.00 29.48 ? 93 MET A O 1 +ATOM 691 C CB . MET A 1 114 ? 15.019 34.623 12.238 1.00 29.18 ? 93 MET A CB 1 +ATOM 692 C CG . MET A 1 114 ? 15.660 33.304 11.809 1.00 33.11 ? 93 MET A CG 1 +ATOM 693 S SD . MET A 1 114 ? 15.636 33.076 9.990 1.00 40.50 ? 93 MET A SD 1 +ATOM 694 C CE . MET A 1 114 ? 13.962 32.560 9.708 1.00 37.67 ? 93 MET A CE 1 +ATOM 695 N N . LEU A 1 115 ? 13.278 34.144 14.810 1.00 29.01 ? 94 LEU A N 1 +ATOM 696 C CA . LEU A 1 115 ? 12.506 33.156 15.553 1.00 30.00 ? 94 LEU A CA 1 +ATOM 697 C C . LEU A 1 115 ? 11.801 32.247 14.556 1.00 30.90 ? 94 LEU A C 1 +ATOM 698 O O . LEU A 1 115 ? 11.070 32.735 13.699 1.00 30.26 ? 94 LEU A O 1 +ATOM 699 C CB . LEU A 1 115 ? 11.484 33.838 16.460 1.00 29.19 ? 94 LEU A CB 1 +ATOM 700 C CG . LEU A 1 115 ? 10.751 32.998 17.514 1.00 30.25 ? 94 LEU A CG 1 +ATOM 701 C CD1 . LEU A 1 115 ? 11.717 32.305 18.452 1.00 29.45 ? 94 LEU A CD1 1 +ATOM 702 C CD2 . LEU A 1 115 ? 9.800 33.894 18.320 1.00 28.35 ? 94 LEU A CD2 1 +ATOM 703 N N . LYS A 1 116 ? 12.034 30.934 14.648 1.00 32.44 ? 95 LYS A N 1 +ATOM 704 C CA . LYS A 1 116 ? 11.368 29.980 13.755 1.00 34.21 ? 95 LYS A CA 1 +ATOM 705 C C . LYS A 1 116 ? 10.137 29.384 14.420 1.00 34.50 ? 95 LYS A C 1 +ATOM 706 O O . LYS A 1 116 ? 10.183 28.971 15.569 1.00 33.94 ? 95 LYS A O 1 +ATOM 707 C CB . LYS A 1 116 ? 12.338 28.865 13.332 1.00 35.22 ? 95 LYS A CB 1 +ATOM 708 C CG . LYS A 1 116 ? 13.401 29.320 12.297 1.00 38.73 ? 95 LYS A CG 1 +ATOM 709 C CD . LYS A 1 116 ? 14.737 28.595 12.495 1.00 44.84 ? 95 LYS A CD 1 +ATOM 710 C CE . LYS A 1 116 ? 14.583 27.069 12.322 1.00 48.49 ? 95 LYS A CE 1 +ATOM 711 N NZ . LYS A 1 116 ? 15.502 26.237 13.209 1.00 50.26 ? 95 LYS A NZ 1 +ATOM 712 N N . MET A 1 117 ? 9.029 29.351 13.698 1.00 35.87 ? 96 MET A N 1 +ATOM 713 C CA . MET A 1 117 ? 7.770 28.871 14.259 1.00 37.62 ? 96 MET A CA 1 +ATOM 714 C C . MET A 1 117 ? 6.990 28.206 13.144 1.00 38.88 ? 96 MET A C 1 +ATOM 715 O O . MET A 1 117 ? 7.303 28.406 11.969 1.00 38.99 ? 96 MET A O 1 +ATOM 716 C CB . MET A 1 117 ? 6.915 30.046 14.783 1.00 36.87 ? 96 MET A CB 1 +ATOM 717 C CG . MET A 1 117 ? 7.445 30.766 16.014 1.00 36.05 ? 96 MET A CG 1 +ATOM 718 S SD . MET A 1 117 ? 6.661 32.397 16.227 1.00 32.47 ? 96 MET A SD 1 +ATOM 719 C CE . MET A 1 117 ? 7.289 33.359 14.839 1.00 33.43 ? 96 MET A CE 1 +ATOM 720 N N . THR A 1 118 ? 5.953 27.458 13.519 1.00 40.89 ? 97 THR A N 1 +ATOM 721 C CA . THR A 1 118 ? 4.894 27.078 12.584 1.00 43.05 ? 97 THR A CA 1 +ATOM 722 C C . THR A 1 118 ? 3.560 27.461 13.229 1.00 43.77 ? 97 THR A C 1 +ATOM 723 O O . THR A 1 118 ? 3.380 27.280 14.438 1.00 44.35 ? 97 THR A O 1 +ATOM 724 C CB . THR A 1 118 ? 4.920 25.547 12.208 1.00 43.28 ? 97 THR A CB 1 +ATOM 725 O OG1 . THR A 1 118 ? 5.127 24.765 13.384 1.00 45.70 ? 97 THR A OG1 1 +ATOM 726 C CG2 . THR A 1 118 ? 6.061 25.231 11.257 1.00 43.69 ? 97 THR A CG2 1 +ATOM 727 N N . ASP A 1 119 ? 2.644 28.028 12.446 1.00 44.41 ? 98 ASP A N 1 +ATOM 728 C CA . ASP A 1 119 ? 1.321 28.342 12.967 1.00 45.30 ? 98 ASP A CA 1 +ATOM 729 C C . ASP A 1 119 ? 0.228 27.653 12.151 1.00 46.22 ? 98 ASP A C 1 +ATOM 730 O O . ASP A 1 119 ? 0.517 26.775 11.331 1.00 46.61 ? 98 ASP A O 1 +ATOM 731 C CB . ASP A 1 119 ? 1.088 29.858 13.021 1.00 45.20 ? 98 ASP A CB 1 +ATOM 732 C CG . ASP A 1 119 ? 0.949 30.472 11.652 1.00 45.80 ? 98 ASP A CG 1 +ATOM 733 O OD1 . ASP A 1 119 ? 1.027 29.722 10.662 1.00 45.37 ? 98 ASP A OD1 1 +ATOM 734 O OD2 . ASP A 1 119 ? 0.764 31.704 11.562 1.00 44.84 ? 98 ASP A OD2 1 +ATOM 735 N N . GLU A 1 120 ? -1.028 28.042 12.377 1.00 46.47 ? 99 GLU A N 1 +ATOM 736 C CA . GLU A 1 120 ? -2.141 27.402 11.687 1.00 46.80 ? 99 GLU A CA 1 +ATOM 737 C C . GLU A 1 120 ? -2.006 27.467 10.147 1.00 47.27 ? 99 GLU A C 1 +ATOM 738 O O . GLU A 1 120 ? -2.538 26.623 9.442 1.00 47.92 ? 99 GLU A O 1 +ATOM 739 C CB . GLU A 1 120 ? -3.483 27.973 12.161 1.00 45.98 ? 99 GLU A CB 1 +ATOM 740 C CG . GLU A 1 120 ? -3.807 29.333 11.593 1.00 44.99 ? 99 GLU A CG 1 +ATOM 741 C CD . GLU A 1 120 ? -3.196 30.497 12.389 1.00 42.89 ? 99 GLU A CD 1 +ATOM 742 O OE1 . GLU A 1 120 ? -3.428 31.661 11.987 1.00 42.58 ? 99 GLU A OE1 1 +ATOM 743 O OE2 . GLU A 1 120 ? -2.503 30.248 13.405 1.00 41.44 ? 99 GLU A OE2 1 +ATOM 744 N N . SER A 1 121 ? -1.279 28.448 9.624 1.00 47.51 ? 100 SER A N 1 +ATOM 745 C CA . SER A 1 121 ? -1.091 28.565 8.177 1.00 47.27 ? 100 SER A CA 1 +ATOM 746 C C . SER A 1 121 ? 0.262 28.046 7.694 1.00 47.08 ? 100 SER A C 1 +ATOM 747 O O . SER A 1 121 ? 0.694 28.388 6.592 1.00 47.42 ? 100 SER A O 1 +ATOM 748 C CB . SER A 1 121 ? -1.245 30.025 7.730 1.00 47.15 ? 100 SER A CB 1 +ATOM 749 O OG . SER A 1 121 ? -2.525 30.535 8.068 1.00 48.79 ? 100 SER A OG 1 +ATOM 750 N N . GLY A 1 122 ? 0.939 27.237 8.507 1.00 46.73 ? 101 GLY A N 1 +ATOM 751 C CA . GLY A 1 122 ? 2.222 26.653 8.110 1.00 45.72 ? 101 GLY A CA 1 +ATOM 752 C C . GLY A 1 122 ? 3.430 27.411 8.650 1.00 45.34 ? 101 GLY A C 1 +ATOM 753 O O . GLY A 1 122 ? 3.320 28.159 9.633 1.00 45.08 ? 101 GLY A O 1 +ATOM 754 N N . VAL A 1 123 ? 4.585 27.222 8.008 1.00 44.18 ? 102 VAL A N 1 +ATOM 755 C CA . VAL A 1 123 ? 5.851 27.802 8.476 1.00 43.13 ? 102 VAL A CA 1 +ATOM 756 C C . VAL A 1 123 ? 5.795 29.319 8.668 1.00 42.11 ? 102 VAL A C 1 +ATOM 757 O O . VAL A 1 123 ? 5.204 30.039 7.858 1.00 41.60 ? 102 VAL A O 1 +ATOM 758 C CB . VAL A 1 123 ? 7.015 27.444 7.524 1.00 43.66 ? 102 VAL A CB 1 +ATOM 759 C CG1 . VAL A 1 123 ? 8.164 28.428 7.684 1.00 43.30 ? 102 VAL A CG1 1 +ATOM 760 C CG2 . VAL A 1 123 ? 7.488 25.988 7.764 1.00 43.78 ? 102 VAL A CG2 1 +ATOM 761 N N . ASP A 1 124 ? 6.415 29.804 9.744 1.00 41.05 ? 103 ASP A N 1 +ATOM 762 C CA . ASP A 1 124 ? 6.375 31.242 10.062 1.00 39.44 ? 103 ASP A CA 1 +ATOM 763 C C . ASP A 1 124 ? 7.649 31.697 10.761 1.00 37.83 ? 103 ASP A C 1 +ATOM 764 O O . ASP A 1 124 ? 7.784 31.562 11.973 1.00 38.58 ? 103 ASP A O 1 +ATOM 765 C CB . ASP A 1 124 ? 5.182 31.541 10.962 1.00 39.54 ? 103 ASP A CB 1 +ATOM 766 C CG . ASP A 1 124 ? 4.926 33.029 11.126 1.00 40.16 ? 103 ASP A CG 1 +ATOM 767 O OD1 . ASP A 1 124 ? 5.544 33.843 10.396 1.00 42.27 ? 103 ASP A OD1 1 +ATOM 768 O OD2 . ASP A 1 124 ? 4.081 33.379 11.977 1.00 38.14 ? 103 ASP A OD2 1 +ATOM 769 N N . ALA A 1 125 ? 8.591 32.226 9.995 1.00 35.52 ? 104 ALA A N 1 +ATOM 770 C CA . ALA A 1 125 ? 9.799 32.789 10.562 1.00 32.80 ? 104 ALA A CA 1 +ATOM 771 C C . ALA A 1 125 ? 9.611 34.300 10.727 1.00 30.91 ? 104 ALA A C 1 +ATOM 772 O O . ALA A 1 125 ? 9.037 34.959 9.857 1.00 30.17 ? 104 ALA A O 1 +ATOM 773 C CB . ALA A 1 125 ? 10.955 32.514 9.651 1.00 33.11 ? 104 ALA A CB 1 +ATOM 774 N N . LYS A 1 126 ? 10.079 34.838 11.847 1.00 29.57 ? 105 LYS A N 1 +ATOM 775 C CA . LYS A 1 126 ? 10.147 36.293 12.036 1.00 28.05 ? 105 LYS A CA 1 +ATOM 776 C C . LYS A 1 126 ? 11.562 36.720 12.391 1.00 27.06 ? 105 LYS A C 1 +ATOM 777 O O . LYS A 1 126 ? 12.174 36.150 13.289 1.00 27.14 ? 105 LYS A O 1 +ATOM 778 C CB . LYS A 1 126 ? 9.142 36.750 13.090 1.00 27.30 ? 105 LYS A CB 1 +ATOM 779 C CG . LYS A 1 126 ? 7.712 36.235 12.749 1.00 27.03 ? 105 LYS A CG 1 +ATOM 780 C CD . LYS A 1 126 ? 6.645 37.016 13.447 1.00 26.83 ? 105 LYS A CD 1 +ATOM 781 C CE . LYS A 1 126 ? 5.287 36.300 13.367 1.00 24.94 ? 105 LYS A CE 1 +ATOM 782 N NZ . LYS A 1 126 ? 4.698 36.387 11.996 1.00 23.03 ? 105 LYS A NZ 1 +ATOM 783 N N . LEU A 1 127 ? 12.058 37.734 11.691 1.00 25.68 ? 106 LEU A N 1 +ATOM 784 C CA . LEU A 1 127 ? 13.374 38.275 11.962 1.00 25.87 ? 106 LEU A CA 1 +ATOM 785 C C . LEU A 1 127 ? 13.354 39.143 13.222 1.00 25.22 ? 106 LEU A C 1 +ATOM 786 O O . LEU A 1 127 ? 12.314 39.719 13.598 1.00 24.89 ? 106 LEU A O 1 +ATOM 787 C CB . LEU A 1 127 ? 13.857 39.118 10.784 1.00 25.38 ? 106 LEU A CB 1 +ATOM 788 C CG . LEU A 1 127 ? 14.443 38.394 9.564 1.00 27.94 ? 106 LEU A CG 1 +ATOM 789 C CD1 . LEU A 1 127 ? 13.727 37.094 9.184 1.00 27.95 ? 106 LEU A CD1 1 +ATOM 790 C CD2 . LEU A 1 127 ? 14.567 39.332 8.388 1.00 26.61 ? 106 LEU A CD2 1 +ATOM 791 N N . VAL A 1 128 ? 14.523 39.257 13.838 1.00 23.51 ? 107 VAL A N 1 +ATOM 792 C CA . VAL A 1 128 ? 14.716 40.131 14.964 1.00 22.73 ? 107 VAL A CA 1 +ATOM 793 C C . VAL A 1 128 ? 15.811 41.090 14.512 1.00 22.68 ? 107 VAL A C 1 +ATOM 794 O O . VAL A 1 128 ? 16.854 40.661 14.003 1.00 22.46 ? 107 VAL A O 1 +ATOM 795 C CB . VAL A 1 128 ? 15.080 39.338 16.238 1.00 22.27 ? 107 VAL A CB 1 +ATOM 796 C CG1 . VAL A 1 128 ? 15.343 40.270 17.373 1.00 22.46 ? 107 VAL A CG1 1 +ATOM 797 C CG2 . VAL A 1 128 ? 13.939 38.318 16.594 1.00 23.92 ? 107 VAL A CG2 1 +ATOM 798 N N . ALA A 1 129 ? 15.553 42.392 14.645 1.00 21.45 ? 108 ALA A N 1 +ATOM 799 C CA . ALA A 1 129 ? 16.439 43.391 14.095 1.00 20.74 ? 108 ALA A CA 1 +ATOM 800 C C . ALA A 1 129 ? 16.607 44.559 15.068 1.00 21.23 ? 108 ALA A C 1 +ATOM 801 O O . ALA A 1 129 ? 15.871 44.634 16.070 1.00 21.11 ? 108 ALA A O 1 +ATOM 802 C CB . ALA A 1 129 ? 15.903 43.883 12.721 1.00 19.22 ? 108 ALA A CB 1 +ATOM 803 N N . VAL A 1 130 ? 17.600 45.423 14.790 1.00 20.09 ? 109 VAL A N 1 +ATOM 804 C CA . VAL A 1 130 ? 17.739 46.729 15.426 1.00 21.46 ? 109 VAL A CA 1 +ATOM 805 C C . VAL A 1 130 ? 17.973 47.762 14.319 1.00 21.87 ? 109 VAL A C 1 +ATOM 806 O O . VAL A 1 130 ? 18.314 47.381 13.202 1.00 21.72 ? 109 VAL A O 1 +ATOM 807 C CB . VAL A 1 130 ? 18.928 46.784 16.409 1.00 20.91 ? 109 VAL A CB 1 +ATOM 808 C CG1 . VAL A 1 130 ? 18.614 46.011 17.652 1.00 20.05 ? 109 VAL A CG1 1 +ATOM 809 C CG2 . VAL A 1 130 ? 20.208 46.218 15.733 1.00 22.26 ? 109 VAL A CG2 1 +ATOM 810 N N . PRO A 1 131 ? 17.804 49.068 14.626 1.00 22.19 ? 110 PRO A N 1 +ATOM 811 C CA . PRO A 1 131 ? 18.094 50.056 13.594 1.00 22.34 ? 110 PRO A CA 1 +ATOM 812 C C . PRO A 1 131 ? 19.597 50.067 13.216 1.00 23.74 ? 110 PRO A C 1 +ATOM 813 O O . PRO A 1 131 ? 20.435 49.546 13.963 1.00 23.41 ? 110 PRO A O 1 +ATOM 814 C CB . PRO A 1 131 ? 17.717 51.405 14.280 1.00 22.83 ? 110 PRO A CB 1 +ATOM 815 C CG . PRO A 1 131 ? 16.791 51.058 15.399 1.00 21.11 ? 110 PRO A CG 1 +ATOM 816 C CD . PRO A 1 131 ? 17.289 49.695 15.870 1.00 21.07 ? 110 PRO A CD 1 +ATOM 817 N N . HIS A 1 132 ? 19.905 50.663 12.062 1.00 24.43 ? 111 HIS A N 1 +ATOM 818 C CA . HIS A 1 132 ? 21.269 51.039 11.680 1.00 25.10 ? 111 HIS A CA 1 +ATOM 819 C C . HIS A 1 132 ? 21.948 51.765 12.839 1.00 25.61 ? 111 HIS A C 1 +ATOM 820 O O . HIS A 1 132 ? 21.322 52.588 13.518 1.00 26.10 ? 111 HIS A O 1 +ATOM 821 C CB . HIS A 1 132 ? 21.182 51.975 10.450 1.00 24.91 ? 111 HIS A CB 1 +ATOM 822 C CG . HIS A 1 132 ? 22.509 52.407 9.893 1.00 26.79 ? 111 HIS A CG 1 +ATOM 823 N ND1 . HIS A 1 132 ? 23.070 51.820 8.770 1.00 29.91 ? 111 HIS A ND1 1 +ATOM 824 C CD2 . HIS A 1 132 ? 23.393 53.348 10.305 1.00 23.68 ? 111 HIS A CD2 1 +ATOM 825 C CE1 . HIS A 1 132 ? 24.235 52.393 8.514 1.00 26.42 ? 111 HIS A CE1 1 +ATOM 826 N NE2 . HIS A 1 132 ? 24.442 53.336 9.416 1.00 26.73 ? 111 HIS A NE2 1 +ATOM 827 N N . ASP A 1 133 ? 23.234 51.504 13.051 1.00 25.54 ? 112 ASP A N 1 +ATOM 828 C CA . ASP A 1 133 ? 23.979 52.129 14.147 1.00 25.57 ? 112 ASP A CA 1 +ATOM 829 C C . ASP A 1 133 ? 23.942 53.667 14.222 1.00 25.64 ? 112 ASP A C 1 +ATOM 830 O O . ASP A 1 133 ? 24.009 54.219 15.303 1.00 25.60 ? 112 ASP A O 1 +ATOM 831 C CB . ASP A 1 133 ? 25.433 51.655 14.148 1.00 26.15 ? 112 ASP A CB 1 +ATOM 832 C CG . ASP A 1 133 ? 25.577 50.191 14.586 1.00 25.67 ? 112 ASP A CG 1 +ATOM 833 O OD1 . ASP A 1 133 ? 24.592 49.558 15.018 1.00 29.82 ? 112 ASP A OD1 1 +ATOM 834 O OD2 . ASP A 1 133 ? 26.687 49.675 14.528 1.00 26.95 ? 112 ASP A OD2 1 +ATOM 835 N N . LYS A 1 134 ? 23.866 54.355 13.095 1.00 25.60 ? 113 LYS A N 1 +ATOM 836 C CA . LYS A 1 134 ? 23.786 55.819 13.100 1.00 26.31 ? 113 LYS A CA 1 +ATOM 837 C C . LYS A 1 134 ? 22.358 56.299 13.405 1.00 26.01 ? 113 LYS A C 1 +ATOM 838 O O . LYS A 1 134 ? 22.150 57.398 13.891 1.00 27.30 ? 113 LYS A O 1 +ATOM 839 C CB . LYS A 1 134 ? 24.288 56.390 11.768 1.00 26.96 ? 113 LYS A CB 1 +ATOM 840 N N . VAL A 1 135 ? 21.370 55.453 13.158 1.00 25.69 ? 114 VAL A N 1 +ATOM 841 C CA . VAL A 1 135 ? 19.998 55.764 13.562 1.00 24.61 ? 114 VAL A CA 1 +ATOM 842 C C . VAL A 1 135 ? 19.806 55.525 15.065 1.00 25.10 ? 114 VAL A C 1 +ATOM 843 O O . VAL A 1 135 ? 19.249 56.379 15.773 1.00 24.38 ? 114 VAL A O 1 +ATOM 844 C CB . VAL A 1 135 ? 19.001 54.950 12.751 1.00 25.32 ? 114 VAL A CB 1 +ATOM 845 C CG1 . VAL A 1 135 ? 17.528 55.198 13.246 1.00 23.89 ? 114 VAL A CG1 1 +ATOM 846 C CG2 . VAL A 1 135 ? 19.202 55.234 11.260 1.00 22.62 ? 114 VAL A CG2 1 +ATOM 847 N N . CYS A 1 136 ? 20.318 54.395 15.563 1.00 24.30 ? 115 CYS A N 1 +ATOM 848 C CA . CYS A 1 136 ? 20.191 54.054 16.978 1.00 24.45 ? 115 CYS A CA 1 +ATOM 849 C C . CYS A 1 136 ? 21.523 53.611 17.614 1.00 25.28 ? 115 CYS A C 1 +ATOM 850 O O . CYS A 1 136 ? 21.821 52.409 17.705 1.00 25.35 ? 115 CYS A O 1 +ATOM 851 C CB . CYS A 1 136 ? 19.111 52.977 17.168 1.00 24.20 ? 115 CYS A CB 1 +ATOM 852 S SG . CYS A 1 136 ? 18.644 52.733 18.908 1.00 23.28 ? 115 CYS A SG 1 +ATOM 853 N N . PRO A 1 137 ? 22.343 54.583 18.036 1.00 25.64 ? 116 PRO A N 1 +ATOM 854 C CA . PRO A 1 137 ? 23.601 54.246 18.715 1.00 25.83 ? 116 PRO A CA 1 +ATOM 855 C C . PRO A 1 137 ? 23.382 53.386 19.946 1.00 26.76 ? 116 PRO A C 1 +ATOM 856 O O . PRO A 1 137 ? 24.274 52.606 20.303 1.00 27.28 ? 116 PRO A O 1 +ATOM 857 C CB . PRO A 1 137 ? 24.150 55.613 19.142 1.00 25.73 ? 116 PRO A CB 1 +ATOM 858 C CG . PRO A 1 137 ? 23.576 56.573 18.005 1.00 26.37 ? 116 PRO A CG 1 +ATOM 859 C CD . PRO A 1 137 ? 22.177 56.038 17.826 1.00 24.59 ? 116 PRO A CD 1 +ATOM 860 N N . MET A 1 138 ? 22.213 53.510 20.569 1.00 25.92 ? 117 MET A N 1 +ATOM 861 C CA . MET A 1 138 ? 21.880 52.798 21.806 1.00 25.99 ? 117 MET A CA 1 +ATOM 862 C C . MET A 1 138 ? 21.872 51.286 21.630 1.00 26.46 ? 117 MET A C 1 +ATOM 863 O O . MET A 1 138 ? 22.001 50.553 22.613 1.00 25.60 ? 117 MET A O 1 +ATOM 864 C CB . MET A 1 138 ? 20.492 53.211 22.307 1.00 25.61 ? 117 MET A CB 1 +ATOM 865 C CG . MET A 1 138 ? 20.329 54.735 22.551 1.00 25.77 ? 117 MET A CG 1 +ATOM 866 S SD . MET A 1 138 ? 19.862 55.666 21.073 1.00 23.51 ? 117 MET A SD 1 +ATOM 867 C CE . MET A 1 138 ? 20.351 57.314 21.549 1.00 23.67 ? 117 MET A CE 1 +ATOM 868 N N . THR A 1 139 ? 21.643 50.816 20.396 1.00 26.44 ? 118 THR A N 1 +ATOM 869 C CA . THR A 1 139 ? 21.572 49.368 20.159 1.00 26.45 ? 118 THR A CA 1 +ATOM 870 C C . THR A 1 139 ? 22.833 48.825 19.435 1.00 26.58 ? 118 THR A C 1 +ATOM 871 O O . THR A 1 139 ? 22.882 47.643 19.071 1.00 25.87 ? 118 THR A O 1 +ATOM 872 C CB . THR A 1 139 ? 20.255 48.931 19.388 1.00 26.23 ? 118 THR A CB 1 +ATOM 873 O OG1 . THR A 1 139 ? 20.061 49.752 18.255 1.00 25.67 ? 118 THR A OG1 1 +ATOM 874 C CG2 . THR A 1 139 ? 18.975 49.004 20.277 1.00 24.93 ? 118 THR A CG2 1 +ATOM 875 N N . ALA A 1 140 ? 23.848 49.673 19.264 1.00 26.81 ? 119 ALA A N 1 +ATOM 876 C CA . ALA A 1 140 ? 25.069 49.285 18.509 1.00 27.89 ? 119 ALA A CA 1 +ATOM 877 C C . ALA A 1 140 ? 25.785 48.057 19.057 1.00 28.60 ? 119 ALA A C 1 +ATOM 878 O O . ALA A 1 140 ? 26.365 47.295 18.299 1.00 28.79 ? 119 ALA A O 1 +ATOM 879 C CB . ALA A 1 140 ? 26.024 50.442 18.375 1.00 27.47 ? 119 ALA A CB 1 +ATOM 880 N N . ASN A 1 141 ? 25.712 47.837 20.364 1.00 30.19 ? 120 ASN A N 1 +ATOM 881 C CA . ASN A 1 141 ? 26.394 46.697 20.978 1.00 31.83 ? 120 ASN A CA 1 +ATOM 882 C C . ASN A 1 141 ? 25.633 45.400 20.871 1.00 31.62 ? 120 ASN A C 1 +ATOM 883 O O . ASN A 1 141 ? 26.124 44.389 21.335 1.00 30.93 ? 120 ASN A O 1 +ATOM 884 C CB . ASN A 1 141 ? 26.733 46.965 22.447 1.00 33.05 ? 120 ASN A CB 1 +ATOM 885 C CG . ASN A 1 141 ? 27.805 48.055 22.605 1.00 38.99 ? 120 ASN A CG 1 +ATOM 886 O OD1 . ASN A 1 141 ? 28.787 48.097 21.842 1.00 44.64 ? 120 ASN A OD1 1 +ATOM 887 N ND2 . ASN A 1 141 ? 27.610 48.953 23.578 1.00 43.69 ? 120 ASN A ND2 1 +ATOM 888 N N . LEU A 1 142 ? 24.427 45.424 20.298 1.00 30.32 ? 121 LEU A N 1 +ATOM 889 C CA . LEU A 1 142 ? 23.756 44.177 19.945 1.00 30.28 ? 121 LEU A CA 1 +ATOM 890 C C . LEU A 1 142 ? 24.232 43.750 18.545 1.00 30.14 ? 121 LEU A C 1 +ATOM 891 O O . LEU A 1 142 ? 23.838 44.354 17.529 1.00 29.66 ? 121 LEU A O 1 +ATOM 892 C CB . LEU A 1 142 ? 22.221 44.314 19.994 1.00 29.43 ? 121 LEU A CB 1 +ATOM 893 C CG . LEU A 1 142 ? 21.655 44.833 21.312 1.00 29.47 ? 121 LEU A CG 1 +ATOM 894 C CD1 . LEU A 1 142 ? 20.133 45.148 21.240 1.00 28.60 ? 121 LEU A CD1 1 +ATOM 895 C CD2 . LEU A 1 142 ? 21.981 43.867 22.439 1.00 30.01 ? 121 LEU A CD2 1 +ATOM 896 N N . LYS A 1 143 ? 25.104 42.739 18.514 1.00 30.23 ? 122 LYS A N 1 +ATOM 897 C CA . LYS A 1 143 ? 25.692 42.242 17.272 1.00 30.77 ? 122 LYS A CA 1 +ATOM 898 C C . LYS A 1 143 ? 24.963 41.015 16.720 1.00 30.31 ? 122 LYS A C 1 +ATOM 899 O O . LYS A 1 143 ? 24.994 40.748 15.520 1.00 30.97 ? 122 LYS A O 1 +ATOM 900 C CB . LYS A 1 143 ? 27.150 41.856 17.492 1.00 31.10 ? 122 LYS A CB 1 +ATOM 901 C CG . LYS A 1 143 ? 27.932 42.857 18.270 1.00 34.55 ? 122 LYS A CG 1 +ATOM 902 C CD . LYS A 1 143 ? 28.254 44.068 17.435 1.00 37.21 ? 122 LYS A CD 1 +ATOM 903 C CE . LYS A 1 143 ? 29.578 44.637 17.921 1.00 41.85 ? 122 LYS A CE 1 +ATOM 904 N NZ . LYS A 1 143 ? 29.647 46.122 17.779 1.00 45.04 ? 122 LYS A NZ 1 +ATOM 905 N N . SER A 1 144 ? 24.353 40.234 17.590 1.00 28.89 ? 123 SER A N 1 +ATOM 906 C CA . SER A 1 144 ? 23.593 39.080 17.119 1.00 29.25 ? 123 SER A CA 1 +ATOM 907 C C . SER A 1 144 ? 22.504 38.756 18.130 1.00 29.01 ? 123 SER A C 1 +ATOM 908 O O . SER A 1 144 ? 22.439 39.361 19.199 1.00 29.07 ? 123 SER A O 1 +ATOM 909 C CB . SER A 1 144 ? 24.514 37.847 16.919 1.00 28.38 ? 123 SER A CB 1 +ATOM 910 O OG . SER A 1 144 ? 24.909 37.328 18.187 1.00 30.05 ? 123 SER A OG 1 +ATOM 911 N N . ILE A 1 145 ? 21.657 37.797 17.779 1.00 30.11 ? 124 ILE A N 1 +ATOM 912 C CA . ILE A 1 145 ? 20.560 37.354 18.616 1.00 30.40 ? 124 ILE A CA 1 +ATOM 913 C C . ILE A 1 145 ? 21.044 36.980 20.043 1.00 31.66 ? 124 ILE A C 1 +ATOM 914 O O . ILE A 1 145 ? 20.308 37.162 21.020 1.00 30.63 ? 124 ILE A O 1 +ATOM 915 C CB . ILE A 1 145 ? 19.830 36.168 17.921 1.00 30.97 ? 124 ILE A CB 1 +ATOM 916 C CG1 . ILE A 1 145 ? 18.526 35.811 18.648 1.00 31.32 ? 124 ILE A CG1 1 +ATOM 917 C CG2 . ILE A 1 145 ? 20.760 34.954 17.775 1.00 29.74 ? 124 ILE A CG2 1 +ATOM 918 C CD1 . ILE A 1 145 ? 17.435 36.836 18.440 1.00 33.00 ? 124 ILE A CD1 1 +ATOM 919 N N . ASP A 1 146 ? 22.286 36.472 20.155 1.00 32.15 ? 125 ASP A N 1 +ATOM 920 C CA . ASP A 1 146 ? 22.858 36.041 21.449 1.00 32.32 ? 125 ASP A CA 1 +ATOM 921 C C . ASP A 1 146 ? 23.117 37.191 22.390 1.00 31.43 ? 125 ASP A C 1 +ATOM 922 O O . ASP A 1 146 ? 23.291 36.996 23.591 1.00 30.73 ? 125 ASP A O 1 +ATOM 923 C CB . ASP A 1 146 ? 24.180 35.287 21.239 1.00 33.54 ? 125 ASP A CB 1 +ATOM 924 C CG . ASP A 1 146 ? 24.027 34.128 20.295 1.00 36.42 ? 125 ASP A CG 1 +ATOM 925 O OD1 . ASP A 1 146 ? 23.000 33.427 20.372 1.00 38.93 ? 125 ASP A OD1 1 +ATOM 926 O OD2 . ASP A 1 146 ? 24.912 33.948 19.440 1.00 41.72 ? 125 ASP A OD2 1 +ATOM 927 N N . ASP A 1 147 ? 23.151 38.402 21.849 1.00 30.57 ? 126 ASP A N 1 +ATOM 928 C CA . ASP A 1 147 ? 23.341 39.566 22.696 1.00 29.73 ? 126 ASP A CA 1 +ATOM 929 C C . ASP A 1 147 ? 22.028 40.092 23.290 1.00 29.14 ? 126 ASP A C 1 +ATOM 930 O O . ASP A 1 147 ? 22.059 40.903 24.202 1.00 28.18 ? 126 ASP A O 1 +ATOM 931 C CB . ASP A 1 147 ? 24.023 40.693 21.927 1.00 29.86 ? 126 ASP A CB 1 +ATOM 932 C CG . ASP A 1 147 ? 25.409 40.308 21.440 1.00 31.45 ? 126 ASP A CG 1 +ATOM 933 O OD1 . ASP A 1 147 ? 26.168 39.758 22.245 1.00 32.98 ? 126 ASP A OD1 1 +ATOM 934 O OD2 . ASP A 1 147 ? 25.732 40.556 20.265 1.00 29.33 ? 126 ASP A OD2 1 +ATOM 935 N N . VAL A 1 148 ? 20.891 39.663 22.750 1.00 28.12 ? 127 VAL A N 1 +ATOM 936 C CA . VAL A 1 148 ? 19.600 40.132 23.270 1.00 27.54 ? 127 VAL A CA 1 +ATOM 937 C C . VAL A 1 148 ? 19.398 39.543 24.680 1.00 27.24 ? 127 VAL A C 1 +ATOM 938 O O . VAL A 1 148 ? 19.603 38.361 24.881 1.00 26.18 ? 127 VAL A O 1 +ATOM 939 C CB . VAL A 1 148 ? 18.442 39.723 22.332 1.00 27.46 ? 127 VAL A CB 1 +ATOM 940 C CG1 . VAL A 1 148 ? 17.094 40.157 22.913 1.00 26.88 ? 127 VAL A CG1 1 +ATOM 941 C CG2 . VAL A 1 148 ? 18.645 40.294 20.923 1.00 27.36 ? 127 VAL A CG2 1 +ATOM 942 N N . PRO A 1 149 ? 19.011 40.375 25.658 1.00 27.18 ? 128 PRO A N 1 +ATOM 943 C CA . PRO A 1 149 ? 18.809 39.845 26.999 1.00 27.22 ? 128 PRO A CA 1 +ATOM 944 C C . PRO A 1 149 ? 17.902 38.614 26.998 1.00 27.86 ? 128 PRO A C 1 +ATOM 945 O O . PRO A 1 149 ? 16.919 38.562 26.249 1.00 27.80 ? 128 PRO A O 1 +ATOM 946 C CB . PRO A 1 149 ? 18.130 41.002 27.724 1.00 26.62 ? 128 PRO A CB 1 +ATOM 947 C CG . PRO A 1 149 ? 18.769 42.235 27.104 1.00 28.03 ? 128 PRO A CG 1 +ATOM 948 C CD . PRO A 1 149 ? 18.898 41.850 25.616 1.00 27.41 ? 128 PRO A CD 1 +ATOM 949 N N . ALA A 1 150 ? 18.221 37.627 27.834 1.00 27.80 ? 129 ALA A N 1 +ATOM 950 C CA . ALA A 1 150 ? 17.410 36.415 27.870 1.00 28.35 ? 129 ALA A CA 1 +ATOM 951 C C . ALA A 1 150 ? 15.934 36.714 28.217 1.00 28.08 ? 129 ALA A C 1 +ATOM 952 O O . ALA A 1 150 ? 15.010 36.049 27.696 1.00 27.99 ? 129 ALA A O 1 +ATOM 953 C CB . ALA A 1 150 ? 18.005 35.402 28.850 1.00 28.21 ? 129 ALA A CB 1 +ATOM 954 N N . TYR A 1 151 ? 15.720 37.696 29.098 1.00 27.53 ? 130 TYR A N 1 +ATOM 955 C CA . TYR A 1 151 ? 14.362 38.016 29.546 1.00 27.52 ? 130 TYR A CA 1 +ATOM 956 C C . TYR A 1 151 ? 13.523 38.512 28.358 1.00 27.66 ? 130 TYR A C 1 +ATOM 957 O O . TYR A 1 151 ? 12.357 38.146 28.241 1.00 27.90 ? 130 TYR A O 1 +ATOM 958 C CB . TYR A 1 151 ? 14.350 39.024 30.720 1.00 27.57 ? 130 TYR A CB 1 +ATOM 959 C CG . TYR A 1 151 ? 14.359 40.464 30.262 1.00 27.15 ? 130 TYR A CG 1 +ATOM 960 C CD1 . TYR A 1 151 ? 13.183 41.099 29.871 1.00 29.10 ? 130 TYR A CD1 1 +ATOM 961 C CD2 . TYR A 1 151 ? 15.554 41.175 30.181 1.00 27.46 ? 130 TYR A CD2 1 +ATOM 962 C CE1 . TYR A 1 151 ? 13.203 42.410 29.409 1.00 28.74 ? 130 TYR A CE1 1 +ATOM 963 C CE2 . TYR A 1 151 ? 15.584 42.465 29.730 1.00 28.56 ? 130 TYR A CE2 1 +ATOM 964 C CZ . TYR A 1 151 ? 14.398 43.072 29.348 1.00 29.54 ? 130 TYR A CZ 1 +ATOM 965 O OH . TYR A 1 151 ? 14.443 44.369 28.916 1.00 34.94 ? 130 TYR A OH 1 +ATOM 966 N N . LEU A 1 152 ? 14.121 39.315 27.477 1.00 27.44 ? 131 LEU A N 1 +ATOM 967 C CA . LEU A 1 152 ? 13.440 39.796 26.273 1.00 27.71 ? 131 LEU A CA 1 +ATOM 968 C C . LEU A 1 152 ? 13.166 38.664 25.271 1.00 27.69 ? 131 LEU A C 1 +ATOM 969 O O . LEU A 1 152 ? 12.027 38.483 24.788 1.00 27.08 ? 131 LEU A O 1 +ATOM 970 C CB . LEU A 1 152 ? 14.240 40.910 25.608 1.00 27.68 ? 131 LEU A CB 1 +ATOM 971 C CG . LEU A 1 152 ? 13.453 41.705 24.555 1.00 29.36 ? 131 LEU A CG 1 +ATOM 972 C CD1 . LEU A 1 152 ? 12.160 42.314 25.137 1.00 28.92 ? 131 LEU A CD1 1 +ATOM 973 C CD2 . LEU A 1 152 ? 14.328 42.790 23.943 1.00 29.57 ? 131 LEU A CD2 1 +ATOM 974 N N . LYS A 1 153 ? 14.211 37.901 24.953 1.00 27.29 ? 132 LYS A N 1 +ATOM 975 C CA . LYS A 1 153 ? 14.038 36.681 24.180 1.00 27.37 ? 132 LYS A CA 1 +ATOM 976 C C . LYS A 1 153 ? 12.846 35.869 24.734 1.00 26.26 ? 132 LYS A C 1 +ATOM 977 O O . LYS A 1 153 ? 11.948 35.517 23.986 1.00 26.14 ? 132 LYS A O 1 +ATOM 978 C CB . LYS A 1 153 ? 15.336 35.843 24.172 1.00 28.31 ? 132 LYS A CB 1 +ATOM 979 C CG . LYS A 1 153 ? 16.386 36.314 23.170 1.00 30.56 ? 132 LYS A CG 1 +ATOM 980 C CD . LYS A 1 153 ? 17.511 35.269 22.990 1.00 33.45 ? 132 LYS A CD 1 +ATOM 981 C CE . LYS A 1 153 ? 18.727 35.625 23.835 1.00 35.02 ? 132 LYS A CE 1 +ATOM 982 N NZ . LYS A 1 153 ? 19.939 34.745 23.591 1.00 37.99 ? 132 LYS A NZ 1 +ATOM 983 N N . ASP A 1 154 ? 12.839 35.580 26.034 1.00 25.23 ? 133 ASP A N 1 +ATOM 984 C CA . ASP A 1 154 ? 11.757 34.796 26.662 1.00 24.89 ? 133 ASP A CA 1 +ATOM 985 C C . ASP A 1 154 ? 10.358 35.406 26.531 1.00 24.44 ? 133 ASP A C 1 +ATOM 986 O O . ASP A 1 154 ? 9.383 34.687 26.328 1.00 23.26 ? 133 ASP A O 1 +ATOM 987 C CB . ASP A 1 154 ? 12.027 34.569 28.159 1.00 24.84 ? 133 ASP A CB 1 +ATOM 988 C CG . ASP A 1 154 ? 13.166 33.593 28.417 1.00 28.52 ? 133 ASP A CG 1 +ATOM 989 O OD1 . ASP A 1 154 ? 13.562 32.849 27.490 1.00 31.06 ? 133 ASP A OD1 1 +ATOM 990 O OD2 . ASP A 1 154 ? 13.678 33.593 29.552 1.00 31.64 ? 133 ASP A OD2 1 +ATOM 991 N N . GLN A 1 155 ? 10.272 36.724 26.710 1.00 24.07 ? 134 GLN A N 1 +ATOM 992 C CA . GLN A 1 155 ? 9.018 37.455 26.504 1.00 24.53 ? 134 GLN A CA 1 +ATOM 993 C C . GLN A 1 155 ? 8.504 37.351 25.062 1.00 24.16 ? 134 GLN A C 1 +ATOM 994 O O . GLN A 1 155 ? 7.301 37.181 24.843 1.00 23.95 ? 134 GLN A O 1 +ATOM 995 C CB . GLN A 1 155 ? 9.182 38.943 26.874 1.00 24.01 ? 134 GLN A CB 1 +ATOM 996 C CG . GLN A 1 155 ? 9.537 39.176 28.333 1.00 25.53 ? 134 GLN A CG 1 +ATOM 997 C CD . GLN A 1 155 ? 9.354 40.607 28.741 1.00 25.83 ? 134 GLN A CD 1 +ATOM 998 O OE1 . GLN A 1 155 ? 9.357 40.934 29.927 1.00 27.07 ? 134 GLN A OE1 1 +ATOM 999 N NE2 . GLN A 1 155 ? 9.165 41.470 27.766 1.00 26.58 ? 134 GLN A NE2 1 +ATOM 1000 N N . ILE A 1 156 ? 9.399 37.479 24.086 1.00 23.99 ? 135 ILE A N 1 +ATOM 1001 C CA . ILE A 1 156 ? 8.997 37.405 22.674 1.00 24.11 ? 135 ILE A CA 1 +ATOM 1002 C C . ILE A 1 156 ? 8.444 36.023 22.366 1.00 25.38 ? 135 ILE A C 1 +ATOM 1003 O O . ILE A 1 156 ? 7.381 35.878 21.727 1.00 25.45 ? 135 ILE A O 1 +ATOM 1004 C CB . ILE A 1 156 ? 10.163 37.749 21.719 1.00 24.40 ? 135 ILE A CB 1 +ATOM 1005 C CG1 . ILE A 1 156 ? 10.565 39.216 21.892 1.00 23.65 ? 135 ILE A CG1 1 +ATOM 1006 C CG2 . ILE A 1 156 ? 9.834 37.373 20.230 1.00 20.81 ? 135 ILE A CG2 1 +ATOM 1007 C CD1 . ILE A 1 156 ? 11.932 39.561 21.290 1.00 21.20 ? 135 ILE A CD1 1 +ATOM 1008 N N . LYS A 1 157 ? 9.138 35.006 22.859 1.00 25.73 ? 136 LYS A N 1 +ATOM 1009 C CA . LYS A 1 157 ? 8.711 33.639 22.643 1.00 26.35 ? 136 LYS A CA 1 +ATOM 1010 C C . LYS A 1 157 ? 7.365 33.315 23.315 1.00 25.70 ? 136 LYS A C 1 +ATOM 1011 O O . LYS A 1 157 ? 6.482 32.730 22.684 1.00 24.73 ? 136 LYS A O 1 +ATOM 1012 C CB . LYS A 1 157 ? 9.839 32.696 23.079 1.00 27.12 ? 136 LYS A CB 1 +ATOM 1013 C CG . LYS A 1 157 ? 9.491 31.210 23.059 1.00 30.98 ? 136 LYS A CG 1 +ATOM 1014 C CD . LYS A 1 157 ? 10.754 30.398 23.454 1.00 38.08 ? 136 LYS A CD 1 +ATOM 1015 C CE . LYS A 1 157 ? 10.456 28.907 23.637 1.00 40.93 ? 136 LYS A CE 1 +ATOM 1016 N NZ . LYS A 1 157 ? 9.113 28.719 24.265 1.00 44.61 ? 136 LYS A NZ 1 +ATOM 1017 N N . HIS A 1 158 ? 7.192 33.740 24.575 1.00 25.25 ? 137 HIS A N 1 +ATOM 1018 C CA . HIS A 1 158 ? 5.900 33.625 25.278 1.00 24.60 ? 137 HIS A CA 1 +ATOM 1019 C C . HIS A 1 158 ? 4.757 34.338 24.511 1.00 23.92 ? 137 HIS A C 1 +ATOM 1020 O O . HIS A 1 158 ? 3.645 33.784 24.345 1.00 23.75 ? 137 HIS A O 1 +ATOM 1021 C CB . HIS A 1 158 ? 6.011 34.201 26.735 1.00 24.77 ? 137 HIS A CB 1 +ATOM 1022 C CG . HIS A 1 158 ? 4.761 34.005 27.551 1.00 25.29 ? 137 HIS A CG 1 +ATOM 1023 N ND1 . HIS A 1 158 ? 3.872 35.028 27.824 1.00 25.11 ? 137 HIS A ND1 1 +ATOM 1024 C CD2 . HIS A 1 158 ? 4.228 32.888 28.111 1.00 22.39 ? 137 HIS A CD2 1 +ATOM 1025 C CE1 . HIS A 1 158 ? 2.856 34.556 28.526 1.00 22.79 ? 137 HIS A CE1 1 +ATOM 1026 N NE2 . HIS A 1 158 ? 3.047 33.259 28.714 1.00 26.13 ? 137 HIS A NE2 1 +ATOM 1027 N N . PHE A 1 159 ? 5.022 35.573 24.066 1.00 23.23 ? 138 PHE A N 1 +ATOM 1028 C CA . PHE A 1 159 ? 4.054 36.330 23.261 1.00 23.01 ? 138 PHE A CA 1 +ATOM 1029 C C . PHE A 1 159 ? 3.523 35.499 22.087 1.00 23.59 ? 138 PHE A C 1 +ATOM 1030 O O . PHE A 1 159 ? 2.313 35.315 21.948 1.00 22.99 ? 138 PHE A O 1 +ATOM 1031 C CB . PHE A 1 159 ? 4.588 37.688 22.737 1.00 21.76 ? 138 PHE A CB 1 +ATOM 1032 C CG . PHE A 1 159 ? 3.581 38.410 21.879 1.00 22.65 ? 138 PHE A CG 1 +ATOM 1033 C CD1 . PHE A 1 159 ? 2.538 39.114 22.458 1.00 20.19 ? 138 PHE A CD1 1 +ATOM 1034 C CD2 . PHE A 1 159 ? 3.626 38.326 20.481 1.00 22.75 ? 138 PHE A CD2 1 +ATOM 1035 C CE1 . PHE A 1 159 ? 1.566 39.746 21.672 1.00 20.14 ? 138 PHE A CE1 1 +ATOM 1036 C CE2 . PHE A 1 159 ? 2.661 38.960 19.693 1.00 18.78 ? 138 PHE A CE2 1 +ATOM 1037 C CZ . PHE A 1 159 ? 1.624 39.658 20.306 1.00 18.64 ? 138 PHE A CZ 1 +ATOM 1038 N N . PHE A 1 160 ? 4.418 34.995 21.238 1.00 24.32 ? 139 PHE A N 1 +ATOM 1039 C CA . PHE A 1 160 ? 3.966 34.206 20.091 1.00 25.35 ? 139 PHE A CA 1 +ATOM 1040 C C . PHE A 1 160 ? 3.302 32.873 20.431 1.00 26.07 ? 139 PHE A C 1 +ATOM 1041 O O . PHE A 1 160 ? 2.369 32.435 19.751 1.00 26.11 ? 139 PHE A O 1 +ATOM 1042 C CB . PHE A 1 160 ? 5.084 34.060 19.068 1.00 25.90 ? 139 PHE A CB 1 +ATOM 1043 C CG . PHE A 1 160 ? 5.393 35.342 18.370 1.00 27.31 ? 139 PHE A CG 1 +ATOM 1044 C CD1 . PHE A 1 160 ? 4.535 35.827 17.393 1.00 27.14 ? 139 PHE A CD1 1 +ATOM 1045 C CD2 . PHE A 1 160 ? 6.515 36.088 18.718 1.00 26.77 ? 139 PHE A CD2 1 +ATOM 1046 C CE1 . PHE A 1 160 ? 4.796 37.021 16.763 1.00 26.81 ? 139 PHE A CE1 1 +ATOM 1047 C CE2 . PHE A 1 160 ? 6.786 37.279 18.088 1.00 27.38 ? 139 PHE A CE2 1 +ATOM 1048 C CZ . PHE A 1 160 ? 5.915 37.750 17.096 1.00 27.03 ? 139 PHE A CZ 1 +ATOM 1049 N N . GLU A 1 161 ? 3.747 32.247 21.508 1.00 27.11 ? 140 GLU A N 1 +ATOM 1050 C CA . GLU A 1 161 ? 3.095 31.047 22.009 1.00 28.38 ? 140 GLU A CA 1 +ATOM 1051 C C . GLU A 1 161 ? 1.679 31.261 22.518 1.00 27.76 ? 140 GLU A C 1 +ATOM 1052 O O . GLU A 1 161 ? 0.889 30.341 22.460 1.00 28.49 ? 140 GLU A O 1 +ATOM 1053 C CB . GLU A 1 161 ? 3.937 30.396 23.110 1.00 28.39 ? 140 GLU A CB 1 +ATOM 1054 C CG . GLU A 1 161 ? 5.150 29.725 22.513 1.00 32.77 ? 140 GLU A CG 1 +ATOM 1055 C CD . GLU A 1 161 ? 5.926 28.953 23.534 1.00 35.86 ? 140 GLU A CD 1 +ATOM 1056 O OE1 . GLU A 1 161 ? 5.978 29.397 24.707 1.00 36.53 ? 140 GLU A OE1 1 +ATOM 1057 O OE2 . GLU A 1 161 ? 6.491 27.914 23.149 1.00 38.06 ? 140 GLU A OE2 1 +ATOM 1058 N N . GLN A 1 162 ? 1.358 32.463 22.996 1.00 27.27 ? 141 GLN A N 1 +ATOM 1059 C CA . GLN A 1 162 ? 0.098 32.706 23.718 1.00 26.49 ? 141 GLN A CA 1 +ATOM 1060 C C . GLN A 1 162 ? -0.891 33.712 23.103 1.00 26.43 ? 141 GLN A C 1 +ATOM 1061 O O . GLN A 1 162 ? -2.081 33.621 23.367 1.00 26.26 ? 141 GLN A O 1 +ATOM 1062 C CB . GLN A 1 162 ? 0.390 33.129 25.170 1.00 26.70 ? 141 GLN A CB 1 +ATOM 1063 C CG . GLN A 1 162 ? 1.054 32.012 26.000 1.00 25.87 ? 141 GLN A CG 1 +ATOM 1064 C CD . GLN A 1 162 ? 0.143 30.811 26.137 1.00 27.04 ? 141 GLN A CD 1 +ATOM 1065 O OE1 . GLN A 1 162 ? -1.078 30.964 26.127 1.00 26.18 ? 141 GLN A OE1 1 +ATOM 1066 N NE2 . GLN A 1 162 ? 0.725 29.604 26.246 1.00 24.08 ? 141 GLN A NE2 1 +ATOM 1067 N N . TYR A 1 163 ? -0.431 34.650 22.283 1.00 25.24 ? 142 TYR A N 1 +ATOM 1068 C CA . TYR A 1 163 ? -1.324 35.723 21.835 1.00 25.93 ? 142 TYR A CA 1 +ATOM 1069 C C . TYR A 1 163 ? -2.589 35.291 21.046 1.00 26.85 ? 142 TYR A C 1 +ATOM 1070 O O . TYR A 1 163 ? -3.600 36.023 21.036 1.00 25.86 ? 142 TYR A O 1 +ATOM 1071 C CB . TYR A 1 163 ? -0.550 36.851 21.122 1.00 24.57 ? 142 TYR A CB 1 +ATOM 1072 C CG . TYR A 1 163 ? -0.237 36.657 19.645 1.00 24.88 ? 142 TYR A CG 1 +ATOM 1073 C CD1 . TYR A 1 163 ? -0.614 37.636 18.697 1.00 23.74 ? 142 TYR A CD1 1 +ATOM 1074 C CD2 . TYR A 1 163 ? 0.484 35.536 19.189 1.00 23.36 ? 142 TYR A CD2 1 +ATOM 1075 C CE1 . TYR A 1 163 ? -0.311 37.485 17.323 1.00 24.35 ? 142 TYR A CE1 1 +ATOM 1076 C CE2 . TYR A 1 163 ? 0.795 35.381 17.840 1.00 23.20 ? 142 TYR A CE2 1 +ATOM 1077 C CZ . TYR A 1 163 ? 0.408 36.350 16.908 1.00 24.71 ? 142 TYR A CZ 1 +ATOM 1078 O OH . TYR A 1 163 ? 0.726 36.189 15.570 1.00 23.16 ? 142 TYR A OH 1 +ATOM 1079 N N . LYS A 1 164 ? -2.538 34.106 20.425 1.00 27.36 ? 143 LYS A N 1 +ATOM 1080 C CA . LYS A 1 164 ? -3.656 33.620 19.616 1.00 28.59 ? 143 LYS A CA 1 +ATOM 1081 C C . LYS A 1 164 ? -4.517 32.628 20.383 1.00 28.24 ? 143 LYS A C 1 +ATOM 1082 O O . LYS A 1 164 ? -5.450 32.069 19.814 1.00 28.26 ? 143 LYS A O 1 +ATOM 1083 C CB . LYS A 1 164 ? -3.179 32.956 18.314 1.00 28.24 ? 143 LYS A CB 1 +ATOM 1084 C CG . LYS A 1 164 ? -2.845 33.904 17.177 1.00 30.18 ? 143 LYS A CG 1 +ATOM 1085 C CD . LYS A 1 164 ? -2.035 33.123 16.136 1.00 31.30 ? 143 LYS A CD 1 +ATOM 1086 C CE . LYS A 1 164 ? -2.057 33.788 14.782 1.00 32.46 ? 143 LYS A CE 1 +ATOM 1087 N NZ . LYS A 1 164 ? -1.094 33.108 13.850 1.00 31.69 ? 143 LYS A NZ 1 +ATOM 1088 N N . ALA A 1 165 ? -4.214 32.446 21.666 1.00 28.11 ? 144 ALA A N 1 +ATOM 1089 C CA . ALA A 1 165 ? -4.911 31.489 22.514 1.00 28.53 ? 144 ALA A CA 1 +ATOM 1090 C C . ALA A 1 165 ? -6.436 31.578 22.439 1.00 29.33 ? 144 ALA A C 1 +ATOM 1091 O O . ALA A 1 165 ? -7.109 30.576 22.625 1.00 29.02 ? 144 ALA A O 1 +ATOM 1092 C CB . ALA A 1 165 ? -4.446 31.610 23.979 1.00 27.54 ? 144 ALA A CB 1 +ATOM 1093 N N . LEU A 1 166 ? -6.986 32.755 22.160 1.00 30.11 ? 145 LEU A N 1 +ATOM 1094 C CA . LEU A 1 166 ? -8.442 32.926 22.243 1.00 31.34 ? 145 LEU A CA 1 +ATOM 1095 C C . LEU A 1 166 ? -9.115 33.091 20.884 1.00 33.19 ? 145 LEU A C 1 +ATOM 1096 O O . LEU A 1 166 ? -10.278 33.527 20.799 1.00 34.02 ? 145 LEU A O 1 +ATOM 1097 C CB . LEU A 1 166 ? -8.836 34.068 23.184 1.00 30.04 ? 145 LEU A CB 1 +ATOM 1098 C CG . LEU A 1 166 ? -8.451 33.803 24.646 1.00 29.77 ? 145 LEU A CG 1 +ATOM 1099 C CD1 . LEU A 1 166 ? -8.766 35.020 25.539 1.00 27.97 ? 145 LEU A CD1 1 +ATOM 1100 C CD2 . LEU A 1 166 ? -9.158 32.558 25.178 1.00 28.92 ? 145 LEU A CD2 1 +ATOM 1101 N N . GLU A 1 167 ? -8.404 32.722 19.826 1.00 34.54 ? 146 GLU A N 1 +ATOM 1102 C CA . GLU A 1 167 ? -9.007 32.685 18.497 1.00 36.61 ? 146 GLU A CA 1 +ATOM 1103 C C . GLU A 1 167 ? -9.127 31.241 18.018 1.00 36.98 ? 146 GLU A C 1 +ATOM 1104 O O . GLU A 1 167 ? -8.131 30.520 17.940 1.00 37.28 ? 146 GLU A O 1 +ATOM 1105 C CB . GLU A 1 167 ? -8.198 33.548 17.528 1.00 36.66 ? 146 GLU A CB 1 +ATOM 1106 C CG . GLU A 1 167 ? -8.473 35.038 17.752 1.00 39.16 ? 146 GLU A CG 1 +ATOM 1107 C CD . GLU A 1 167 ? -7.212 35.867 17.769 1.00 41.76 ? 146 GLU A CD 1 +ATOM 1108 O OE1 . GLU A 1 167 ? -6.523 35.925 16.724 1.00 46.57 ? 146 GLU A OE1 1 +ATOM 1109 O OE2 . GLU A 1 167 ? -6.907 36.480 18.809 1.00 41.40 ? 146 GLU A OE2 1 +ATOM 1110 N N . LYS A 1 168 ? -10.355 30.810 17.733 1.00 38.45 ? 147 LYS A N 1 +ATOM 1111 C CA . LYS A 1 168 ? -10.597 29.436 17.247 1.00 39.30 ? 147 LYS A CA 1 +ATOM 1112 C C . LYS A 1 168 ? -9.881 29.202 15.918 1.00 39.80 ? 147 LYS A C 1 +ATOM 1113 O O . LYS A 1 168 ? -9.942 30.031 15.004 1.00 39.70 ? 147 LYS A O 1 +ATOM 1114 C CB . LYS A 1 168 ? -12.107 29.141 17.099 1.00 39.10 ? 147 LYS A CB 1 +ATOM 1115 N N . GLY A 1 169 ? -9.196 28.069 15.813 1.00 40.78 ? 148 GLY A N 1 +ATOM 1116 C CA . GLY A 1 169 ? -8.523 27.724 14.574 1.00 41.89 ? 148 GLY A CA 1 +ATOM 1117 C C . GLY A 1 169 ? -7.129 28.302 14.423 1.00 42.81 ? 148 GLY A C 1 +ATOM 1118 O O . GLY A 1 169 ? -6.505 28.152 13.366 1.00 43.25 ? 148 GLY A O 1 +ATOM 1119 N N . LYS A 1 170 ? -6.631 28.970 15.467 1.00 42.74 ? 149 LYS A N 1 +ATOM 1120 C CA . LYS A 1 170 ? -5.309 29.594 15.395 1.00 42.54 ? 149 LYS A CA 1 +ATOM 1121 C C . LYS A 1 170 ? -4.401 29.040 16.468 1.00 42.14 ? 149 LYS A C 1 +ATOM 1122 O O . LYS A 1 170 ? -4.838 28.797 17.587 1.00 42.29 ? 149 LYS A O 1 +ATOM 1123 C CB . LYS A 1 170 ? -5.433 31.099 15.551 1.00 42.68 ? 149 LYS A CB 1 +ATOM 1124 C CG . LYS A 1 170 ? -6.172 31.762 14.419 1.00 43.87 ? 149 LYS A CG 1 +ATOM 1125 C CD . LYS A 1 170 ? -6.153 33.241 14.672 1.00 47.65 ? 149 LYS A CD 1 +ATOM 1126 C CE . LYS A 1 170 ? -6.746 34.013 13.534 1.00 49.81 ? 149 LYS A CE 1 +ATOM 1127 N NZ . LYS A 1 170 ? -6.712 35.448 13.904 1.00 50.78 ? 149 LYS A NZ 1 +ATOM 1128 N N . TRP A 1 171 ? -3.132 28.836 16.131 1.00 41.69 ? 150 TRP A N 1 +ATOM 1129 C CA . TRP A 1 171 ? -2.195 28.252 17.077 1.00 41.16 ? 150 TRP A CA 1 +ATOM 1130 C C . TRP A 1 171 ? -0.741 28.515 16.617 1.00 40.09 ? 150 TRP A C 1 +ATOM 1131 O O . TRP A 1 171 ? -0.498 28.906 15.467 1.00 39.90 ? 150 TRP A O 1 +ATOM 1132 C CB . TRP A 1 171 ? -2.482 26.751 17.256 1.00 42.09 ? 150 TRP A CB 1 +ATOM 1133 C CG . TRP A 1 171 ? -2.424 25.994 15.941 1.00 44.48 ? 150 TRP A CG 1 +ATOM 1134 C CD1 . TRP A 1 171 ? -3.473 25.731 15.085 1.00 46.23 ? 150 TRP A CD1 1 +ATOM 1135 C CD2 . TRP A 1 171 ? -1.253 25.441 15.319 1.00 47.04 ? 150 TRP A CD2 1 +ATOM 1136 N NE1 . TRP A 1 171 ? -3.018 25.043 13.976 1.00 47.57 ? 150 TRP A NE1 1 +ATOM 1137 C CE2 . TRP A 1 171 ? -1.664 24.847 14.098 1.00 48.31 ? 150 TRP A CE2 1 +ATOM 1138 C CE3 . TRP A 1 171 ? 0.104 25.389 15.673 1.00 47.74 ? 150 TRP A CE3 1 +ATOM 1139 C CZ2 . TRP A 1 171 ? -0.759 24.213 13.228 1.00 49.44 ? 150 TRP A CZ2 1 +ATOM 1140 C CZ3 . TRP A 1 171 ? 1.004 24.752 14.797 1.00 48.88 ? 150 TRP A CZ3 1 +ATOM 1141 C CH2 . TRP A 1 171 ? 0.565 24.178 13.597 1.00 48.25 ? 150 TRP A CH2 1 +ATOM 1142 N N . VAL A 1 172 ? 0.209 28.336 17.527 1.00 38.25 ? 151 VAL A N 1 +ATOM 1143 C CA . VAL A 1 172 ? 1.612 28.584 17.228 1.00 37.22 ? 151 VAL A CA 1 +ATOM 1144 C C . VAL A 1 172 ? 2.497 27.650 18.003 1.00 37.01 ? 151 VAL A C 1 +ATOM 1145 O O . VAL A 1 172 ? 2.385 27.567 19.224 1.00 37.18 ? 151 VAL A O 1 +ATOM 1146 C CB . VAL A 1 172 ? 2.064 29.984 17.683 1.00 36.92 ? 151 VAL A CB 1 +ATOM 1147 C CG1 . VAL A 1 172 ? 3.609 30.090 17.614 1.00 36.17 ? 151 VAL A CG1 1 +ATOM 1148 C CG2 . VAL A 1 172 ? 1.374 31.052 16.887 1.00 37.01 ? 151 VAL A CG2 1 +ATOM 1149 N N . LYS A 1 173 ? 3.411 26.983 17.306 1.00 37.00 ? 152 LYS A N 1 +ATOM 1150 C CA . LYS A 1 173 ? 4.498 26.276 17.985 1.00 37.07 ? 152 LYS A CA 1 +ATOM 1151 C C . LYS A 1 173 ? 5.842 26.914 17.600 1.00 36.86 ? 152 LYS A C 1 +ATOM 1152 O O . LYS A 1 173 ? 6.130 27.120 16.424 1.00 36.56 ? 152 LYS A O 1 +ATOM 1153 C CB . LYS A 1 173 ? 4.462 24.764 17.671 1.00 37.12 ? 152 LYS A CB 1 +ATOM 1154 N N . VAL A 1 174 ? 6.626 27.265 18.610 1.00 37.55 ? 153 VAL A N 1 +ATOM 1155 C CA . VAL A 1 174 ? 7.952 27.825 18.420 1.00 38.67 ? 153 VAL A CA 1 +ATOM 1156 C C . VAL A 1 174 ? 8.974 26.699 18.221 1.00 39.79 ? 153 VAL A C 1 +ATOM 1157 O O . VAL A 1 174 ? 9.112 25.831 19.090 1.00 40.45 ? 153 VAL A O 1 +ATOM 1158 C CB . VAL A 1 174 ? 8.383 28.679 19.647 1.00 38.52 ? 153 VAL A CB 1 +ATOM 1159 C CG1 . VAL A 1 174 ? 9.857 29.052 19.544 1.00 38.07 ? 153 VAL A CG1 1 +ATOM 1160 C CG2 . VAL A 1 174 ? 7.497 29.925 19.786 1.00 37.74 ? 153 VAL A CG2 1 +ATOM 1161 N N . GLU A 1 175 ? 9.687 26.708 17.090 1.00 40.04 ? 154 GLU A N 1 +ATOM 1162 C CA . GLU A 1 175 ? 10.734 25.724 16.843 1.00 40.39 ? 154 GLU A CA 1 +ATOM 1163 C C . GLU A 1 175 ? 12.069 26.146 17.482 1.00 39.58 ? 154 GLU A C 1 +ATOM 1164 O O . GLU A 1 175 ? 12.725 25.346 18.138 1.00 39.63 ? 154 GLU A O 1 +ATOM 1165 C CB . GLU A 1 175 ? 10.906 25.461 15.339 1.00 40.95 ? 154 GLU A CB 1 +ATOM 1166 C CG . GLU A 1 175 ? 9.594 25.360 14.525 1.00 44.59 ? 154 GLU A CG 1 +ATOM 1167 C CD . GLU A 1 175 ? 8.715 24.132 14.863 1.00 51.27 ? 154 GLU A CD 1 +ATOM 1168 O OE1 . GLU A 1 175 ? 9.167 23.234 15.624 1.00 52.36 ? 154 GLU A OE1 1 +ATOM 1169 O OE2 . GLU A 1 175 ? 7.557 24.071 14.356 1.00 52.58 ? 154 GLU A OE2 1 +ATOM 1170 N N . GLY A 1 176 ? 12.483 27.394 17.293 1.00 38.48 ? 155 GLY A N 1 +ATOM 1171 C CA . GLY A 1 176 ? 13.721 27.866 17.929 1.00 37.24 ? 155 GLY A CA 1 +ATOM 1172 C C . GLY A 1 176 ? 14.311 29.122 17.304 1.00 36.18 ? 155 GLY A C 1 +ATOM 1173 O O . GLY A 1 176 ? 13.750 29.666 16.353 1.00 36.76 ? 155 GLY A O 1 +ATOM 1174 N N . TRP A 1 177 ? 15.439 29.571 17.847 1.00 34.89 ? 156 TRP A N 1 +ATOM 1175 C CA . TRP A 1 177 ? 16.155 30.742 17.367 1.00 34.38 ? 156 TRP A CA 1 +ATOM 1176 C C . TRP A 1 177 ? 17.174 30.356 16.302 1.00 34.36 ? 156 TRP A C 1 +ATOM 1177 O O . TRP A 1 177 ? 17.674 29.239 16.305 1.00 35.16 ? 156 TRP A O 1 +ATOM 1178 C CB . TRP A 1 177 ? 16.906 31.397 18.520 1.00 33.47 ? 156 TRP A CB 1 +ATOM 1179 C CG . TRP A 1 177 ? 16.018 31.843 19.632 1.00 33.27 ? 156 TRP A CG 1 +ATOM 1180 C CD1 . TRP A 1 177 ? 15.803 31.203 20.822 1.00 33.92 ? 156 TRP A CD1 1 +ATOM 1181 C CD2 . TRP A 1 177 ? 15.201 33.031 19.662 1.00 30.60 ? 156 TRP A CD2 1 +ATOM 1182 N NE1 . TRP A 1 177 ? 14.910 31.924 21.596 1.00 32.30 ? 156 TRP A NE1 1 +ATOM 1183 C CE2 . TRP A 1 177 ? 14.523 33.044 20.909 1.00 31.40 ? 156 TRP A CE2 1 +ATOM 1184 C CE3 . TRP A 1 177 ? 14.973 34.070 18.760 1.00 31.26 ? 156 TRP A CE3 1 +ATOM 1185 C CZ2 . TRP A 1 177 ? 13.630 34.062 21.273 1.00 30.75 ? 156 TRP A CZ2 1 +ATOM 1186 C CZ3 . TRP A 1 177 ? 14.095 35.104 19.135 1.00 32.01 ? 156 TRP A CZ3 1 +ATOM 1187 C CH2 . TRP A 1 177 ? 13.444 35.090 20.380 1.00 29.67 ? 156 TRP A CH2 1 +ATOM 1188 N N . ASP A 1 178 ? 17.469 31.272 15.386 1.00 33.86 ? 157 ASP A N 1 +ATOM 1189 C CA . ASP A 1 178 ? 18.577 31.106 14.437 1.00 32.34 ? 157 ASP A CA 1 +ATOM 1190 C C . ASP A 1 178 ? 19.263 32.457 14.275 1.00 31.51 ? 157 ASP A C 1 +ATOM 1191 O O . ASP A 1 178 ? 18.729 33.478 14.724 1.00 31.36 ? 157 ASP A O 1 +ATOM 1192 C CB . ASP A 1 178 ? 18.063 30.581 13.096 1.00 32.87 ? 157 ASP A CB 1 +ATOM 1193 C CG . ASP A 1 178 ? 19.050 29.623 12.430 1.00 33.29 ? 157 ASP A CG 1 +ATOM 1194 O OD1 . ASP A 1 178 ? 20.267 29.756 12.646 1.00 34.65 ? 157 ASP A OD1 1 +ATOM 1195 O OD2 . ASP A 1 178 ? 18.612 28.741 11.682 1.00 34.01 ? 157 ASP A OD2 1 +ATOM 1196 N N . GLY A 1 179 ? 20.444 32.474 13.656 1.00 29.77 ? 158 GLY A N 1 +ATOM 1197 C CA . GLY A 1 179 ? 21.324 33.641 13.683 1.00 27.83 ? 158 GLY A CA 1 +ATOM 1198 C C . GLY A 1 179 ? 21.263 34.514 12.449 1.00 27.09 ? 158 GLY A C 1 +ATOM 1199 O O . GLY A 1 179 ? 20.326 34.406 11.659 1.00 26.51 ? 158 GLY A O 1 +ATOM 1200 N N . ILE A 1 180 ? 22.272 35.374 12.288 1.00 26.02 ? 159 ILE A N 1 +ATOM 1201 C CA . ILE A 1 180 ? 22.293 36.402 11.250 1.00 26.35 ? 159 ILE A CA 1 +ATOM 1202 C C . ILE A 1 180 ? 22.280 35.847 9.827 1.00 26.41 ? 159 ILE A C 1 +ATOM 1203 O O . ILE A 1 180 ? 21.581 36.376 8.946 1.00 25.21 ? 159 ILE A O 1 +ATOM 1204 C CB . ILE A 1 180 ? 23.504 37.366 11.418 1.00 26.70 ? 159 ILE A CB 1 +ATOM 1205 C CG1 . ILE A 1 180 ? 23.361 38.233 12.685 1.00 28.08 ? 159 ILE A CG1 1 +ATOM 1206 C CG2 . ILE A 1 180 ? 23.650 38.301 10.246 1.00 26.01 ? 159 ILE A CG2 1 +ATOM 1207 C CD1 . ILE A 1 180 ? 24.668 39.003 13.012 1.00 28.81 ? 159 ILE A CD1 1 +ATOM 1208 N N . ASP A 1 181 ? 23.038 34.772 9.597 1.00 26.15 ? 160 ASP A N 1 +ATOM 1209 C CA . ASP A 1 181 ? 23.112 34.177 8.249 1.00 25.96 ? 160 ASP A CA 1 +ATOM 1210 C C . ASP A 1 181 ? 21.756 33.642 7.817 1.00 24.88 ? 160 ASP A C 1 +ATOM 1211 O O . ASP A 1 181 ? 21.374 33.777 6.665 1.00 24.73 ? 160 ASP A O 1 +ATOM 1212 C CB . ASP A 1 181 ? 24.116 33.010 8.205 1.00 26.67 ? 160 ASP A CB 1 +ATOM 1213 C CG . ASP A 1 181 ? 25.541 33.433 8.520 1.00 29.50 ? 160 ASP A CG 1 +ATOM 1214 O OD1 . ASP A 1 181 ? 25.934 34.574 8.239 1.00 30.48 ? 160 ASP A OD1 1 +ATOM 1215 O OD2 . ASP A 1 181 ? 26.293 32.584 9.050 1.00 35.45 ? 160 ASP A OD2 1 +ATOM 1216 N N . ALA A 1 182 ? 21.032 32.999 8.728 1.00 23.99 ? 161 ALA A N 1 +ATOM 1217 C CA . ALA A 1 182 ? 19.680 32.532 8.392 1.00 23.50 ? 161 ALA A CA 1 +ATOM 1218 C C . ALA A 1 182 ? 18.751 33.702 8.082 1.00 23.21 ? 161 ALA A C 1 +ATOM 1219 O O . ALA A 1 182 ? 17.935 33.606 7.165 1.00 24.21 ? 161 ALA A O 1 +ATOM 1220 C CB . ALA A 1 182 ? 19.115 31.701 9.495 1.00 23.26 ? 161 ALA A CB 1 +ATOM 1221 N N . ALA A 1 183 ? 18.894 34.805 8.824 1.00 23.21 ? 162 ALA A N 1 +ATOM 1222 C CA . ALA A 1 183 ? 18.103 36.027 8.571 1.00 23.79 ? 162 ALA A CA 1 +ATOM 1223 C C . ALA A 1 183 ? 18.362 36.572 7.170 1.00 23.81 ? 162 ALA A C 1 +ATOM 1224 O O . ALA A 1 183 ? 17.440 36.955 6.439 1.00 23.83 ? 162 ALA A O 1 +ATOM 1225 C CB . ALA A 1 183 ? 18.394 37.118 9.643 1.00 22.09 ? 162 ALA A CB 1 +ATOM 1226 N N . HIS A 1 184 ? 19.642 36.604 6.796 1.00 24.63 ? 163 HIS A N 1 +ATOM 1227 C CA . HIS A 1 184 ? 20.029 37.073 5.475 1.00 24.48 ? 163 HIS A CA 1 +ATOM 1228 C C . HIS A 1 184 ? 19.483 36.211 4.326 1.00 24.40 ? 163 HIS A C 1 +ATOM 1229 O O . HIS A 1 184 ? 19.062 36.754 3.319 1.00 24.93 ? 163 HIS A O 1 +ATOM 1230 C CB . HIS A 1 184 ? 21.542 37.247 5.411 1.00 24.71 ? 163 HIS A CB 1 +ATOM 1231 C CG . HIS A 1 184 ? 22.027 38.433 6.186 1.00 24.48 ? 163 HIS A CG 1 +ATOM 1232 N ND1 . HIS A 1 184 ? 23.346 38.602 6.556 1.00 25.05 ? 163 HIS A ND1 1 +ATOM 1233 C CD2 . HIS A 1 184 ? 21.361 39.517 6.658 1.00 24.82 ? 163 HIS A CD2 1 +ATOM 1234 C CE1 . HIS A 1 184 ? 23.478 39.748 7.207 1.00 26.44 ? 163 HIS A CE1 1 +ATOM 1235 N NE2 . HIS A 1 184 ? 22.286 40.321 7.286 1.00 25.55 ? 163 HIS A NE2 1 +ATOM 1236 N N . LYS A 1 185 ? 19.483 34.885 4.485 1.00 24.88 ? 164 LYS A N 1 +ATOM 1237 C CA . LYS A 1 185 ? 18.856 33.977 3.518 1.00 26.27 ? 164 LYS A CA 1 +ATOM 1238 C C . LYS A 1 185 ? 17.384 34.322 3.344 1.00 25.61 ? 164 LYS A C 1 +ATOM 1239 O O . LYS A 1 185 ? 16.892 34.453 2.231 1.00 25.21 ? 164 LYS A O 1 +ATOM 1240 C CB . LYS A 1 185 ? 18.864 32.524 4.009 1.00 25.32 ? 164 LYS A CB 1 +ATOM 1241 C CG . LYS A 1 185 ? 20.048 31.657 3.721 1.00 30.29 ? 164 LYS A CG 1 +ATOM 1242 C CD . LYS A 1 185 ? 19.613 30.121 3.720 1.00 34.26 ? 164 LYS A CD 1 +ATOM 1243 C CE . LYS A 1 185 ? 18.052 29.873 3.503 1.00 36.52 ? 164 LYS A CE 1 +ATOM 1244 N NZ . LYS A 1 185 ? 17.403 29.714 2.102 1.00 34.41 ? 164 LYS A NZ 1 +ATOM 1245 N N . GLU A 1 186 ? 16.667 34.392 4.472 1.00 25.78 ? 165 GLU A N 1 +ATOM 1246 C CA . GLU A 1 186 ? 15.244 34.755 4.441 1.00 25.93 ? 165 GLU A CA 1 +ATOM 1247 C C . GLU A 1 186 ? 15.002 36.070 3.666 1.00 25.03 ? 165 GLU A C 1 +ATOM 1248 O O . GLU A 1 186 ? 14.080 36.172 2.864 1.00 25.31 ? 165 GLU A O 1 +ATOM 1249 C CB . GLU A 1 186 ? 14.664 34.826 5.886 1.00 26.24 ? 165 GLU A CB 1 +ATOM 1250 C CG . GLU A 1 186 ? 13.251 35.378 5.967 1.00 28.43 ? 165 GLU A CG 1 +ATOM 1251 C CD . GLU A 1 186 ? 12.136 34.349 5.679 1.00 34.26 ? 165 GLU A CD 1 +ATOM 1252 O OE1 . GLU A 1 186 ? 12.441 33.135 5.549 1.00 30.46 ? 165 GLU A OE1 1 +ATOM 1253 O OE2 . GLU A 1 186 ? 10.938 34.777 5.629 1.00 38.23 ? 165 GLU A OE2 1 +ATOM 1254 N N . ILE A 1 187 ? 15.831 37.076 3.918 1.00 25.30 ? 166 ILE A N 1 +ATOM 1255 C CA . ILE A 1 187 ? 15.736 38.343 3.199 1.00 25.03 ? 166 ILE A CA 1 +ATOM 1256 C C . ILE A 1 187 ? 16.037 38.168 1.671 1.00 26.31 ? 166 ILE A C 1 +ATOM 1257 O O . ILE A 1 187 ? 15.225 38.577 0.837 1.00 25.19 ? 166 ILE A O 1 +ATOM 1258 C CB . ILE A 1 187 ? 16.663 39.415 3.819 1.00 24.79 ? 166 ILE A CB 1 +ATOM 1259 C CG1 . ILE A 1 187 ? 16.224 39.786 5.264 1.00 23.32 ? 166 ILE A CG1 1 +ATOM 1260 C CG2 . ILE A 1 187 ? 16.705 40.658 2.942 1.00 23.43 ? 166 ILE A CG2 1 +ATOM 1261 C CD1 . ILE A 1 187 ? 17.231 40.715 6.023 1.00 17.43 ? 166 ILE A CD1 1 +ATOM 1262 N N . THR A 1 188 ? 17.178 37.556 1.314 1.00 26.73 ? 167 THR A N 1 +ATOM 1263 C CA . THR A 1 188 ? 17.499 37.327 -0.131 1.00 27.90 ? 167 THR A CA 1 +ATOM 1264 C C . THR A 1 188 ? 16.388 36.528 -0.853 1.00 27.76 ? 167 THR A C 1 +ATOM 1265 O O . THR A 1 188 ? 15.948 36.919 -1.928 1.00 27.97 ? 167 THR A O 1 +ATOM 1266 C CB . THR A 1 188 ? 18.896 36.655 -0.343 1.00 27.77 ? 167 THR A CB 1 +ATOM 1267 O OG1 . THR A 1 188 ? 19.912 37.462 0.265 1.00 29.19 ? 167 THR A OG1 1 +ATOM 1268 C CG2 . THR A 1 188 ? 19.220 36.514 -1.852 1.00 28.06 ? 167 THR A CG2 1 +ATOM 1269 N N . ASP A 1 189 ? 15.910 35.440 -0.241 1.00 28.23 ? 168 ASP A N 1 +ATOM 1270 C CA . ASP A 1 189 ? 14.773 34.697 -0.801 1.00 29.21 ? 168 ASP A CA 1 +ATOM 1271 C C . ASP A 1 189 ? 13.567 35.601 -1.013 1.00 29.51 ? 168 ASP A C 1 +ATOM 1272 O O . ASP A 1 189 ? 12.931 35.580 -2.066 1.00 29.99 ? 168 ASP A O 1 +ATOM 1273 C CB . ASP A 1 189 ? 14.390 33.492 0.087 1.00 29.78 ? 168 ASP A CB 1 +ATOM 1274 C CG . ASP A 1 189 ? 15.502 32.434 0.167 1.00 30.95 ? 168 ASP A CG 1 +ATOM 1275 O OD1 . ASP A 1 189 ? 16.467 32.528 -0.605 1.00 30.65 ? 168 ASP A OD1 1 +ATOM 1276 O OD2 . ASP A 1 189 ? 15.430 31.526 1.015 1.00 33.38 ? 168 ASP A OD2 1 +ATOM 1277 N N . GLY A 1 190 ? 13.244 36.407 -0.004 1.00 29.89 ? 169 GLY A N 1 +ATOM 1278 C CA . GLY A 1 190 ? 12.060 37.272 -0.081 1.00 29.50 ? 169 GLY A CA 1 +ATOM 1279 C C . GLY A 1 190 ? 12.136 38.287 -1.199 1.00 29.28 ? 169 GLY A C 1 +ATOM 1280 O O . GLY A 1 190 ? 11.170 38.520 -1.900 1.00 27.96 ? 169 GLY A O 1 +ATOM 1281 N N . VAL A 1 191 ? 13.285 38.927 -1.335 1.00 29.71 ? 170 VAL A N 1 +ATOM 1282 C CA . VAL A 1 191 ? 13.504 39.857 -2.440 1.00 31.10 ? 170 VAL A CA 1 +ATOM 1283 C C . VAL A 1 191 ? 13.337 39.173 -3.832 1.00 33.09 ? 170 VAL A C 1 +ATOM 1284 O O . VAL A 1 191 ? 12.599 39.672 -4.699 1.00 33.41 ? 170 VAL A O 1 +ATOM 1285 C CB . VAL A 1 191 ? 14.887 40.574 -2.309 1.00 30.44 ? 170 VAL A CB 1 +ATOM 1286 C CG1 . VAL A 1 191 ? 15.188 41.389 -3.551 1.00 29.32 ? 170 VAL A CG1 1 +ATOM 1287 C CG2 . VAL A 1 191 ? 14.898 41.459 -1.071 1.00 29.13 ? 170 VAL A CG2 1 +ATOM 1288 N N . ALA A 1 192 ? 14.016 38.036 -4.018 1.00 34.61 ? 171 ALA A N 1 +ATOM 1289 C CA . ALA A 1 192 ? 13.922 37.243 -5.237 1.00 36.15 ? 171 ALA A CA 1 +ATOM 1290 C C . ALA A 1 192 ? 12.473 36.854 -5.526 1.00 37.93 ? 171 ALA A C 1 +ATOM 1291 O O . ALA A 1 192 ? 11.950 37.182 -6.592 1.00 38.85 ? 171 ALA A O 1 +ATOM 1292 C CB . ALA A 1 192 ? 14.792 35.993 -5.116 1.00 35.84 ? 171 ALA A CB 1 +ATOM 1293 N N . ASN A 1 193 ? 11.819 36.168 -4.583 1.00 38.94 ? 172 ASN A N 1 +ATOM 1294 C CA . ASN A 1 193 ? 10.408 35.776 -4.743 1.00 40.34 ? 172 ASN A CA 1 +ATOM 1295 C C . ASN A 1 193 ? 9.461 36.914 -5.139 1.00 40.57 ? 172 ASN A C 1 +ATOM 1296 O O . ASN A 1 193 ? 8.516 36.702 -5.886 1.00 40.25 ? 172 ASN A O 1 +ATOM 1297 C CB . ASN A 1 193 ? 9.869 35.131 -3.470 1.00 40.63 ? 172 ASN A CB 1 +ATOM 1298 C CG . ASN A 1 193 ? 10.583 33.848 -3.112 1.00 44.22 ? 172 ASN A CG 1 +ATOM 1299 O OD1 . ASN A 1 193 ? 11.398 33.318 -3.886 1.00 46.04 ? 172 ASN A OD1 1 +ATOM 1300 N ND2 . ASN A 1 193 ? 10.284 33.332 -1.914 1.00 48.20 ? 172 ASN A ND2 1 +ATOM 1301 N N . PHE A 1 194 ? 9.695 38.113 -4.617 1.00 41.30 ? 173 PHE A N 1 +ATOM 1302 C CA . PHE A 1 194 ? 8.810 39.231 -4.915 1.00 42.45 ? 173 PHE A CA 1 +ATOM 1303 C C . PHE A 1 194 ? 8.895 39.652 -6.391 1.00 44.05 ? 173 PHE A C 1 +ATOM 1304 O O . PHE A 1 194 ? 7.898 40.045 -6.998 1.00 43.32 ? 173 PHE A O 1 +ATOM 1305 C CB . PHE A 1 194 ? 9.118 40.424 -4.012 1.00 41.78 ? 173 PHE A CB 1 +ATOM 1306 C CG . PHE A 1 194 ? 8.245 41.622 -4.272 1.00 39.79 ? 173 PHE A CG 1 +ATOM 1307 C CD1 . PHE A 1 194 ? 6.955 41.682 -3.765 1.00 39.49 ? 173 PHE A CD1 1 +ATOM 1308 C CD2 . PHE A 1 194 ? 8.711 42.689 -5.021 1.00 37.99 ? 173 PHE A CD2 1 +ATOM 1309 C CE1 . PHE A 1 194 ? 6.150 42.795 -4.005 1.00 38.53 ? 173 PHE A CE1 1 +ATOM 1310 C CE2 . PHE A 1 194 ? 7.911 43.802 -5.262 1.00 36.13 ? 173 PHE A CE2 1 +ATOM 1311 C CZ . PHE A 1 194 ? 6.631 43.850 -4.757 1.00 37.09 ? 173 PHE A CZ 1 +ATOM 1312 N N . LYS A 1 195 ? 10.098 39.581 -6.955 1.00 46.01 ? 174 LYS A N 1 +ATOM 1313 C CA . LYS A 1 195 ? 10.321 39.983 -8.344 1.00 48.08 ? 174 LYS A CA 1 +ATOM 1314 C C . LYS A 1 195 ? 9.802 38.906 -9.300 1.00 49.84 ? 174 LYS A C 1 +ATOM 1315 O O . LYS A 1 195 ? 9.753 39.095 -10.511 1.00 50.31 ? 174 LYS A O 1 +ATOM 1316 C CB . LYS A 1 195 ? 11.802 40.337 -8.564 1.00 47.73 ? 174 LYS A CB 1 +ATOM 1317 C CG . LYS A 1 195 ? 12.190 41.554 -7.729 1.00 46.64 ? 174 LYS A CG 1 +ATOM 1318 C CD . LYS A 1 195 ? 13.657 41.609 -7.418 1.00 45.19 ? 174 LYS A CD 1 +ATOM 1319 C CE . LYS A 1 195 ? 14.379 42.456 -8.444 1.00 45.69 ? 174 LYS A CE 1 +ATOM 1320 N NZ . LYS A 1 195 ? 15.857 42.279 -8.351 1.00 44.08 ? 174 LYS A NZ 1 +ATOM 1321 N N . LYS A 1 196 ? 9.382 37.788 -8.715 1.00 52.11 ? 175 LYS A N 1 +ATOM 1322 C CA . LYS A 1 196 ? 8.602 36.759 -9.396 1.00 54.14 ? 175 LYS A CA 1 +ATOM 1323 C C . LYS A 1 196 ? 9.423 35.473 -9.415 1.00 54.68 ? 175 LYS A C 1 +ATOM 1324 O O . LYS A 1 196 ? 9.136 34.467 -8.751 1.00 55.07 ? 175 LYS A O 1 +ATOM 1325 C CB . LYS A 1 196 ? 8.214 37.214 -10.809 1.00 54.60 ? 175 LYS A CB 1 +ATOM 1326 C CG . LYS A 1 196 ? 6.957 36.545 -11.369 1.00 57.59 ? 175 LYS A CG 1 +ATOM 1327 C CD . LYS A 1 196 ? 6.501 37.199 -12.700 1.00 61.87 ? 175 LYS A CD 1 +ATOM 1328 C CE . LYS A 1 196 ? 7.706 37.673 -13.531 1.00 63.51 ? 175 LYS A CE 1 +ATOM 1329 N NZ . LYS A 1 196 ? 8.861 36.709 -13.496 1.00 63.20 ? 175 LYS A NZ 1 +ATOM 1330 O OXT . LYS A 1 196 ? 10.451 35.432 -10.086 1.00 55.71 ? 175 LYS A OXT 1 +HETATM 1331 K K . K B 2 . ? 24.990 43.276 0.005 0.50 24.45 ? 176 K A K 1 +HETATM 1332 NA NA . NA C 3 . ? 1.633 34.181 11.897 1.00 26.73 ? 177 NA A NA 1 +HETATM 1333 NA NA . NA D 3 . ? 6.489 35.143 8.444 1.00 30.89 ? 178 NA A NA 1 +HETATM 1334 P P1 . POP E 4 . ? 1.233 37.542 11.212 1.00 32.68 ? 179 POP A P1 1 +HETATM 1335 O O1 . POP E 4 . ? 1.910 38.831 11.612 1.00 32.62 ? 179 POP A O1 1 +HETATM 1336 O O2 . POP E 4 . ? 1.288 37.475 9.712 1.00 33.46 ? 179 POP A O2 1 +HETATM 1337 O O3 . POP E 4 . ? 1.948 36.362 11.841 1.00 30.47 ? 179 POP A O3 1 +HETATM 1338 O O . POP E 4 . ? -0.339 37.641 11.573 1.00 33.48 ? 179 POP A O 1 +HETATM 1339 P P2 . POP E 4 . ? -1.193 36.552 12.370 1.00 36.05 ? 179 POP A P2 1 +HETATM 1340 O O4 . POP E 4 . ? -2.611 36.792 11.954 1.00 33.39 ? 179 POP A O4 1 +HETATM 1341 O O5 . POP E 4 . ? -1.079 36.873 13.870 1.00 33.69 ? 179 POP A O5 1 +HETATM 1342 O O6 . POP E 4 . ? -0.735 35.128 12.124 1.00 33.11 ? 179 POP A O6 1 +HETATM 1343 O O1 . PG4 F 5 . ? 25.225 36.156 6.596 1.00 42.63 ? 180 PG4 A O1 1 +HETATM 1344 C C1 . PG4 F 5 . ? 25.070 35.591 5.302 1.00 44.20 ? 180 PG4 A C1 1 +HETATM 1345 C C2 . PG4 F 5 . ? 25.728 36.597 4.386 1.00 46.03 ? 180 PG4 A C2 1 +HETATM 1346 O O2 . PG4 F 5 . ? 24.774 36.857 3.380 1.00 48.37 ? 180 PG4 A O2 1 +HETATM 1347 C C3 . PG4 F 5 . ? 25.201 37.981 2.614 1.00 47.94 ? 180 PG4 A C3 1 +HETATM 1348 C C4 . PG4 F 5 . ? 25.268 39.174 3.548 1.00 46.48 ? 180 PG4 A C4 1 +HETATM 1349 O O3 . PG4 F 5 . ? 26.617 39.507 3.811 1.00 45.59 ? 180 PG4 A O3 1 +HETATM 1350 C C5 . PG4 F 5 . ? 26.819 40.888 3.597 1.00 45.33 ? 180 PG4 A C5 1 +HETATM 1351 C C6 . PG4 F 5 . ? 28.266 41.161 3.954 1.00 47.26 ? 180 PG4 A C6 1 +HETATM 1352 O O4 . PG4 F 5 . ? 28.982 41.378 2.738 1.00 48.16 ? 180 PG4 A O4 1 +HETATM 1353 C C7 . PG4 F 5 . ? 30.163 40.616 2.604 1.00 47.41 ? 180 PG4 A C7 1 +HETATM 1354 C C8 . PG4 F 5 . ? 31.331 41.437 3.117 1.00 51.14 ? 180 PG4 A C8 1 +HETATM 1355 O O5 . PG4 F 5 . ? 32.081 40.607 4.011 1.00 53.41 ? 180 PG4 A O5 1 +HETATM 1356 C C1 . PEG G 6 . ? 13.856 28.176 23.722 1.00 59.47 ? 181 PEG A C1 1 +HETATM 1357 O O1 . PEG G 6 . ? 14.416 29.487 23.735 1.00 59.79 ? 181 PEG A O1 1 +HETATM 1358 C C2 . PEG G 6 . ? 13.605 27.741 22.291 1.00 59.20 ? 181 PEG A C2 1 +HETATM 1359 O O2 . PEG G 6 . ? 12.908 26.499 22.379 1.00 59.79 ? 181 PEG A O2 1 +HETATM 1360 C C3 . PEG G 6 . ? 11.848 26.393 21.440 1.00 59.65 ? 181 PEG A C3 1 +HETATM 1361 C C4 . PEG G 6 . ? 10.883 25.309 21.906 1.00 59.90 ? 181 PEG A C4 1 +HETATM 1362 O O4 . PEG G 6 . ? 10.045 25.835 22.942 1.00 58.85 ? 181 PEG A O4 1 +HETATM 1363 C C1 . PEG H 6 . ? 19.721 56.811 7.363 1.00 56.17 ? 182 PEG A C1 1 +HETATM 1364 O O1 . PEG H 6 . ? 18.409 56.724 7.966 1.00 55.97 ? 182 PEG A O1 1 +HETATM 1365 C C2 . PEG H 6 . ? 20.835 56.288 8.271 1.00 54.49 ? 182 PEG A C2 1 +HETATM 1366 O O2 . PEG H 6 . ? 21.824 57.291 8.516 1.00 56.31 ? 182 PEG A O2 1 +HETATM 1367 C C3 . PEG H 6 . ? 23.176 56.838 8.332 1.00 57.82 ? 182 PEG A C3 1 +HETATM 1368 C C4 . PEG H 6 . ? 23.815 57.479 7.094 1.00 58.58 ? 182 PEG A C4 1 +HETATM 1369 O O4 . PEG H 6 . ? 24.621 56.536 6.357 1.00 59.04 ? 182 PEG A O4 1 +HETATM 1370 O O . HOH I 7 . ? -6.268 35.297 21.123 1.00 22.39 ? 183 HOH A O 1 +HETATM 1371 O O . HOH I 7 . ? 18.291 50.223 3.964 1.00 24.68 ? 184 HOH A O 1 +HETATM 1372 O O . HOH I 7 . ? 22.029 42.728 8.623 1.00 20.47 ? 185 HOH A O 1 +HETATM 1373 O O . HOH I 7 . ? 15.767 55.114 9.164 1.00 20.81 ? 186 HOH A O 1 +HETATM 1374 O O . HOH I 7 . ? 0.754 45.724 20.847 1.00 21.83 ? 187 HOH A O 1 +HETATM 1375 O O . HOH I 7 . ? 11.338 47.709 21.125 1.00 19.21 ? 188 HOH A O 1 +HETATM 1376 O O . HOH I 7 . ? 19.695 33.152 21.711 1.00 38.29 ? 189 HOH A O 1 +HETATM 1377 O O . HOH I 7 . ? 10.491 50.293 22.101 1.00 18.65 ? 190 HOH A O 1 +HETATM 1378 O O . HOH I 7 . ? 4.344 42.176 9.606 1.00 23.68 ? 191 HOH A O 1 +HETATM 1379 O O . HOH I 7 . ? 22.154 49.578 16.234 1.00 24.18 ? 192 HOH A O 1 +HETATM 1380 O O . HOH I 7 . ? 19.540 33.045 0.367 0.50 15.02 ? 193 HOH A O 1 +HETATM 1381 O O . HOH I 7 . ? -0.281 31.958 19.977 1.00 27.04 ? 194 HOH A O 1 +HETATM 1382 O O . HOH I 7 . ? 0.714 43.186 11.724 1.00 31.86 ? 195 HOH A O 1 +HETATM 1383 O O . HOH I 7 . ? 3.567 51.947 22.586 1.00 23.51 ? 196 HOH A O 1 +HETATM 1384 O O . HOH I 7 . ? -1.180 48.644 17.742 1.00 15.53 ? 197 HOH A O 1 +HETATM 1385 O O . HOH I 7 . ? 1.948 54.836 16.377 1.00 21.93 ? 198 HOH A O 1 +HETATM 1386 O O . HOH I 7 . ? 2.509 44.733 28.229 1.00 21.51 ? 199 HOH A O 1 +HETATM 1387 O O . HOH I 7 . ? 2.391 38.378 14.597 1.00 23.11 ? 200 HOH A O 1 +HETATM 1388 O O . HOH I 7 . ? 1.535 33.854 14.371 1.00 27.83 ? 201 HOH A O 1 +HETATM 1389 O O . HOH I 7 . ? -6.330 29.284 19.591 1.00 32.67 ? 202 HOH A O 1 +HETATM 1390 O O . HOH I 7 . ? -2.980 54.585 7.752 1.00 25.04 ? 203 HOH A O 1 +HETATM 1391 O O . HOH I 7 . ? -1.529 52.313 21.859 1.00 28.95 ? 204 HOH A O 1 +HETATM 1392 O O . HOH I 7 . ? -4.219 37.228 18.172 1.00 29.05 ? 205 HOH A O 1 +HETATM 1393 O O . HOH I 7 . ? -9.725 38.390 17.936 1.00 25.82 ? 206 HOH A O 1 +HETATM 1394 O O . HOH I 7 . ? -0.251 50.231 15.527 1.00 41.88 ? 207 HOH A O 1 +HETATM 1395 O O . HOH I 7 . ? -7.548 43.260 22.219 1.00 19.57 ? 208 HOH A O 1 +HETATM 1396 O O . HOH I 7 . ? 24.427 35.212 14.096 1.00 31.41 ? 209 HOH A O 1 +HETATM 1397 O O . HOH I 7 . ? 17.913 38.657 31.156 1.00 36.76 ? 210 HOH A O 1 +HETATM 1398 O O . HOH I 7 . ? 23.606 42.865 12.451 1.00 25.35 ? 211 HOH A O 1 +HETATM 1399 O O . HOH I 7 . ? -10.993 36.660 20.173 1.00 34.07 ? 212 HOH A O 1 +HETATM 1400 O O . HOH I 7 . ? 12.726 35.081 31.604 1.00 41.53 ? 213 HOH A O 1 +HETATM 1401 O O . HOH I 7 . ? 11.555 34.813 2.535 1.00 32.40 ? 214 HOH A O 1 +HETATM 1402 O O . HOH I 7 . ? 26.985 45.074 13.907 1.00 33.93 ? 215 HOH A O 1 +HETATM 1403 O O . HOH I 7 . ? 22.305 31.774 11.176 1.00 27.99 ? 216 HOH A O 1 +HETATM 1404 O O . HOH I 7 . ? -5.311 51.156 18.105 1.00 23.06 ? 217 HOH A O 1 +HETATM 1405 O O . HOH I 7 . ? 4.813 38.197 26.560 1.00 30.39 ? 218 HOH A O 1 +HETATM 1406 O O . HOH I 7 . ? 16.429 31.381 6.556 1.00 31.04 ? 219 HOH A O 1 +HETATM 1407 O O . HOH I 7 . ? 2.094 31.244 8.621 1.00 39.67 ? 220 HOH A O 1 +HETATM 1408 O O . HOH I 7 . ? 3.282 37.464 7.811 1.00 36.79 ? 221 HOH A O 1 +HETATM 1409 O O . HOH I 7 . ? 12.081 42.928 -4.465 1.00 35.63 ? 222 HOH A O 1 +HETATM 1410 O O . HOH I 7 . ? 10.457 52.853 26.328 1.00 29.83 ? 223 HOH A O 1 +HETATM 1411 O O . HOH I 7 . ? -10.834 37.817 15.537 1.00 32.13 ? 224 HOH A O 1 +HETATM 1412 O O . HOH I 7 . ? 11.844 46.500 23.826 1.00 35.48 ? 225 HOH A O 1 +HETATM 1413 O O . HOH I 7 . ? 4.136 40.856 6.472 1.00 40.41 ? 226 HOH A O 1 +HETATM 1414 O O . HOH I 7 . ? 27.046 47.404 15.617 1.00 32.79 ? 227 HOH A O 1 +HETATM 1415 O O . HOH I 7 . ? 27.357 54.793 8.601 1.00 45.22 ? 228 HOH A O 1 +HETATM 1416 O O . HOH I 7 . ? 23.653 47.745 22.742 1.00 50.33 ? 229 HOH A O 1 +HETATM 1417 O O . HOH I 7 . ? 13.464 46.940 -3.502 1.00 32.04 ? 230 HOH A O 1 +HETATM 1418 O O . HOH I 7 . ? 3.976 32.286 14.525 1.00 31.56 ? 231 HOH A O 1 +HETATM 1419 O O . HOH I 7 . ? 20.596 34.827 26.319 1.00 49.91 ? 232 HOH A O 1 +HETATM 1420 O O . HOH I 7 . ? 0.268 53.053 17.314 1.00 42.31 ? 233 HOH A O 1 +HETATM 1421 O O . HOH I 7 . ? 8.635 54.732 26.919 1.00 33.52 ? 234 HOH A O 1 +HETATM 1422 O O . HOH I 7 . ? 8.723 45.643 25.830 1.00 31.33 ? 235 HOH A O 1 +HETATM 1423 O O . HOH I 7 . ? 9.525 50.219 24.646 1.00 32.19 ? 236 HOH A O 1 +HETATM 1424 O O . HOH I 7 . ? 29.165 40.813 21.487 1.00 56.55 ? 237 HOH A O 1 +HETATM 1425 O O . HOH I 7 . ? 2.494 40.055 8.917 1.00 36.15 ? 238 HOH A O 1 +HETATM 1426 O O . HOH I 7 . ? -0.777 34.809 9.090 1.00 37.11 ? 239 HOH A O 1 +HETATM 1427 O O . HOH I 7 . ? 23.455 48.536 9.084 1.00 28.44 ? 240 HOH A O 1 +HETATM 1428 O O . HOH I 7 . ? 24.600 49.610 11.229 1.00 23.81 ? 241 HOH A O 1 +HETATM 1429 O O . HOH I 7 . ? 21.015 49.121 7.957 1.00 22.66 ? 242 HOH A O 1 +HETATM 1430 O O . HOH I 7 . ? 24.242 43.201 9.915 1.00 27.87 ? 243 HOH A O 1 +HETATM 1431 O O . HOH I 7 . ? 26.271 42.655 13.711 1.00 28.13 ? 244 HOH A O 1 +HETATM 1432 O O . HOH I 7 . ? 5.960 36.600 6.289 1.00 41.50 ? 245 HOH A O 1 +HETATM 1433 O O . HOH I 7 . ? 18.246 32.111 23.785 1.00 56.31 ? 246 HOH A O 1 +HETATM 1434 O O . HOH I 7 . ? 7.627 32.876 7.134 1.00 33.79 ? 247 HOH A O 1 +HETATM 1435 O O . HOH I 7 . ? 1.165 51.316 -0.972 1.00 46.31 ? 248 HOH A O 1 +HETATM 1436 O O . HOH I 7 . ? 1.154 41.748 26.990 1.00 28.03 ? 249 HOH A O 1 +HETATM 1437 O O . HOH I 7 . ? 5.939 26.535 21.149 1.00 44.12 ? 250 HOH A O 1 +HETATM 1438 O O . HOH I 7 . ? -5.540 43.055 28.186 1.00 26.47 ? 251 HOH A O 1 +HETATM 1439 O O . HOH I 7 . ? 11.949 30.493 27.231 1.00 52.78 ? 252 HOH A O 1 +HETATM 1440 O O . HOH I 7 . ? 13.331 24.495 13.440 1.00 52.00 ? 253 HOH A O 1 +HETATM 1441 O O . HOH I 7 . ? -1.435 29.723 20.052 1.00 52.22 ? 254 HOH A O 1 +HETATM 1442 O O . HOH I 7 . ? 2.115 43.165 6.250 1.00 34.91 ? 255 HOH A O 1 +HETATM 1443 O O . HOH I 7 . ? 15.992 53.085 0.933 1.00 34.04 ? 256 HOH A O 1 +HETATM 1444 O O . HOH I 7 . ? 2.292 33.719 9.368 1.00 44.24 ? 257 HOH A O 1 +HETATM 1445 O O . HOH I 7 . ? 3.626 29.350 26.403 1.00 42.97 ? 258 HOH A O 1 +HETATM 1446 O O . HOH I 7 . ? -3.063 50.429 19.160 1.00 33.64 ? 259 HOH A O 1 +HETATM 1447 O O . HOH I 7 . ? -4.016 34.810 12.023 1.00 43.84 ? 260 HOH A O 1 +HETATM 1448 O O . HOH I 7 . ? -7.025 43.005 7.425 1.00 50.38 ? 261 HOH A O 1 +HETATM 1449 O O . HOH I 7 . ? 20.664 37.966 29.449 1.00 39.40 ? 262 HOH A O 1 +HETATM 1450 O O . HOH I 7 . ? 8.219 36.489 7.242 1.00 45.22 ? 263 HOH A O 1 +HETATM 1451 O O . HOH I 7 . ? 7.603 30.314 26.808 1.00 49.95 ? 264 HOH A O 1 +HETATM 1452 O O . HOH I 7 . ? 27.192 38.462 19.035 1.00 38.71 ? 265 HOH A O 1 +HETATM 1453 O O . HOH I 7 . ? -3.725 41.084 29.707 1.00 44.44 ? 266 HOH A O 1 +HETATM 1454 O O . HOH I 7 . ? -3.184 38.130 9.900 1.00 31.98 ? 267 HOH A O 1 +HETATM 1455 O O . HOH I 7 . ? -6.968 37.923 11.495 1.00 40.84 ? 268 HOH A O 1 +HETATM 1456 O O . HOH I 7 . ? 15.958 47.852 -2.923 1.00 44.94 ? 269 HOH A O 1 +HETATM 1457 O O . HOH I 7 . ? 13.106 37.129 -9.048 1.00 35.12 ? 270 HOH A O 1 +HETATM 1458 O O . HOH I 7 . ? 23.944 34.080 16.627 1.00 56.20 ? 271 HOH A O 1 +HETATM 1459 O O . HOH I 7 . ? 17.584 52.420 -1.888 1.00 38.11 ? 272 HOH A O 1 +HETATM 1460 O O . HOH I 7 . ? 5.521 45.450 -0.564 1.00 47.04 ? 273 HOH A O 1 +HETATM 1461 O O . HOH I 7 . ? 25.459 49.006 4.506 1.00 54.02 ? 274 HOH A O 1 +HETATM 1462 O O . HOH I 7 . ? 16.595 27.943 19.928 1.00 49.01 ? 275 HOH A O 1 +HETATM 1463 O O . HOH I 7 . ? 22.019 36.726 26.870 1.00 56.59 ? 276 HOH A O 1 +HETATM 1464 O O . HOH I 7 . ? 10.474 36.654 8.412 1.00 45.47 ? 277 HOH A O 1 +HETATM 1465 O O . HOH I 7 . ? 24.611 33.020 11.703 1.00 47.62 ? 278 HOH A O 1 +HETATM 1466 O O . HOH I 7 . ? 26.899 46.740 4.551 1.00 52.92 ? 279 HOH A O 1 +HETATM 1467 O O . HOH I 7 . ? 6.994 29.354 29.500 1.00 59.06 ? 280 HOH A O 1 +HETATM 1468 O O . HOH I 7 . ? 1.016 41.471 9.152 1.00 46.63 ? 281 HOH A O 1 +HETATM 1469 O O . HOH I 7 . ? -3.738 28.411 20.723 1.00 58.68 ? 282 HOH A O 1 +HETATM 1470 O O . HOH I 7 . ? 14.325 31.639 5.778 1.00 49.26 ? 283 HOH A O 1 +HETATM 1471 O O . HOH I 7 . ? 27.777 37.727 7.983 1.00 49.01 ? 284 HOH A O 1 +HETATM 1472 O O . HOH I 7 . ? 11.301 44.913 29.125 1.00 47.44 ? 285 HOH A O 1 +HETATM 1473 O O . HOH I 7 . ? -3.722 51.289 27.893 1.00 28.88 ? 286 HOH A O 1 +HETATM 1474 O O . HOH I 7 . ? 5.173 46.827 -3.289 1.00 59.99 ? 287 HOH A O 1 +HETATM 1475 O O . HOH I 7 . ? -9.268 38.914 11.481 1.00 39.62 ? 288 HOH A O 1 +HETATM 1476 O O . HOH I 7 . ? 9.346 31.934 27.060 1.00 45.27 ? 289 HOH A O 1 +HETATM 1477 O O . HOH I 7 . ? 24.327 46.350 8.439 1.00 39.23 ? 290 HOH A O 1 +HETATM 1478 O O . HOH I 7 . ? 17.766 26.234 14.240 1.00 58.80 ? 291 HOH A O 1 +HETATM 1479 O O . HOH I 7 . ? 14.667 53.897 27.017 1.00 44.45 ? 292 HOH A O 1 +HETATM 1480 O O . HOH I 7 . ? 13.540 30.919 2.872 1.00 48.68 ? 293 HOH A O 1 +HETATM 1481 O O . HOH I 7 . ? 13.812 54.578 29.178 1.00 37.62 ? 294 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 -20 ? ? ? A . n +A 1 2 ALA 2 -19 ? ? ? A . n +A 1 3 HIS 3 -18 ? ? ? A . n +A 1 4 HIS 4 -17 ? ? ? A . n +A 1 5 HIS 5 -16 ? ? ? A . n +A 1 6 HIS 6 -15 ? ? ? A . n +A 1 7 HIS 7 -14 ? ? ? A . n +A 1 8 HIS 8 -13 ? ? ? A . n +A 1 9 MET 9 -12 ? ? ? A . n +A 1 10 GLY 10 -11 ? ? ? A . n +A 1 11 THR 11 -10 ? ? ? A . n +A 1 12 LEU 12 -9 ? ? ? A . n +A 1 13 GLU 13 -8 ? ? ? A . n +A 1 14 ALA 14 -7 ? ? ? A . n +A 1 15 GLN 15 -6 ? ? ? A . n +A 1 16 THR 16 -5 ? ? ? A . n +A 1 17 GLN 17 -4 ? ? ? A . n +A 1 18 GLY 18 -3 ? ? ? A . n +A 1 19 PRO 19 -2 ? ? ? A . n +A 1 20 GLY 20 -1 ? ? ? A . n +A 1 21 SER 21 0 ? ? ? A . n +A 1 22 MET 22 1 ? ? ? A . n +A 1 23 SER 23 2 2 SER SER A . n +A 1 24 PHE 24 3 3 PHE PHE A . n +A 1 25 SER 25 4 4 SER SER A . n +A 1 26 ASN 26 5 5 ASN ASN A . n +A 1 27 VAL 27 6 6 VAL VAL A . n +A 1 28 PRO 28 7 7 PRO PRO A . n +A 1 29 ALA 29 8 8 ALA ALA A . n +A 1 30 GLY 30 9 9 GLY GLY A . n +A 1 31 LYS 31 10 10 LYS LYS A . n +A 1 32 ASP 32 11 11 ASP ASP A . n +A 1 33 LEU 33 12 12 LEU LEU A . n +A 1 34 PRO 34 13 13 PRO PRO A . n +A 1 35 GLN 35 14 14 GLN GLN A . n +A 1 36 ASP 36 15 15 ASP ASP A . n +A 1 37 PHE 37 16 16 PHE PHE A . n +A 1 38 ASN 38 17 17 ASN ASN A . n +A 1 39 VAL 39 18 18 VAL VAL A . n +A 1 40 ILE 40 19 19 ILE ILE A . n +A 1 41 ILE 41 20 20 ILE ILE A . n +A 1 42 GLU 42 21 21 GLU GLU A . n +A 1 43 ILE 43 22 22 ILE ILE A . n +A 1 44 PRO 44 23 23 PRO PRO A . n +A 1 45 ALA 45 24 24 ALA ALA A . n +A 1 46 GLN 46 25 25 GLN GLN A . n +A 1 47 SER 47 26 26 SER SER A . n +A 1 48 GLU 48 27 27 GLU GLU A . n +A 1 49 PRO 49 28 28 PRO PRO A . n +A 1 50 VAL 50 29 29 VAL VAL A . n +A 1 51 LYS 51 30 30 LYS LYS A . n +A 1 52 TYR 52 31 31 TYR TYR A . n +A 1 53 GLU 53 32 32 GLU GLU A . n +A 1 54 ALA 54 33 33 ALA ALA A . n +A 1 55 ASP 55 34 34 ASP ASP A . n +A 1 56 LYS 56 35 35 LYS LYS A . n +A 1 57 ALA 57 36 36 ALA ALA A . n +A 1 58 LEU 58 37 37 LEU LEU A . n +A 1 59 GLY 59 38 38 GLY GLY A . n +A 1 60 LEU 60 39 39 LEU LEU A . n +A 1 61 LEU 61 40 40 LEU LEU A . n +A 1 62 VAL 62 41 41 VAL VAL A . n +A 1 63 VAL 63 42 42 VAL VAL A . n +A 1 64 ASP 64 43 43 ASP ASP A . n +A 1 65 ARG 65 44 44 ARG ARG A . n +A 1 66 PHE 66 45 45 PHE PHE A . n +A 1 67 ILE 67 46 46 ILE ILE A . n +A 1 68 GLY 68 47 47 GLY GLY A . n +A 1 69 THR 69 48 48 THR THR A . n +A 1 70 GLY 70 49 49 GLY GLY A . n +A 1 71 MET 71 50 50 MET MET A . n +A 1 72 ARG 72 51 51 ARG ARG A . n +A 1 73 TYR 73 52 52 TYR TYR A . n +A 1 74 PRO 74 53 53 PRO PRO A . n +A 1 75 VAL 75 54 54 VAL VAL A . n +A 1 76 ASN 76 55 55 ASN ASN A . n +A 1 77 TYR 77 56 56 TYR TYR A . n +A 1 78 GLY 78 57 57 GLY GLY A . n +A 1 79 PHE 79 58 58 PHE PHE A . n +A 1 80 ILE 80 59 59 ILE ILE A . n +A 1 81 PRO 81 60 60 PRO PRO A . n +A 1 82 GLN 82 61 61 GLN GLN A . n +A 1 83 THR 83 62 62 THR THR A . n +A 1 84 LEU 84 63 63 LEU LEU A . n +A 1 85 SER 85 64 64 SER SER A . n +A 1 86 GLY 86 65 65 GLY GLY A . n +A 1 87 ASP 87 66 66 ASP ASP A . n +A 1 88 GLY 88 67 67 GLY GLY A . n +A 1 89 ASP 89 68 68 ASP ASP A . n +A 1 90 PRO 90 69 69 PRO PRO A . n +A 1 91 VAL 91 70 70 VAL VAL A . n +A 1 92 ASP 92 71 71 ASP ASP A . n +A 1 93 VAL 93 72 72 VAL VAL A . n +A 1 94 LEU 94 73 73 LEU LEU A . n +A 1 95 VAL 95 74 74 VAL VAL A . n +A 1 96 ILE 96 75 75 ILE ILE A . n +A 1 97 THR 97 76 76 THR THR A . n +A 1 98 PRO 98 77 77 PRO PRO A . n +A 1 99 PHE 99 78 78 PHE PHE A . n +A 1 100 PRO 100 79 79 PRO PRO A . n +A 1 101 LEU 101 80 80 LEU LEU A . n +A 1 102 LEU 102 81 81 LEU LEU A . n +A 1 103 ALA 103 82 82 ALA ALA A . n +A 1 104 GLY 104 83 83 GLY GLY A . n +A 1 105 SER 105 84 84 SER SER A . n +A 1 106 VAL 106 85 85 VAL VAL A . n +A 1 107 VAL 107 86 86 VAL VAL A . n +A 1 108 ARG 108 87 87 ARG ARG A . n +A 1 109 ALA 109 88 88 ALA ALA A . n +A 1 110 ARG 110 89 89 ARG ARG A . n +A 1 111 ALA 111 90 90 ALA ALA A . n +A 1 112 LEU 112 91 91 LEU LEU A . n +A 1 113 GLY 113 92 92 GLY GLY A . n +A 1 114 MET 114 93 93 MET MET A . n +A 1 115 LEU 115 94 94 LEU LEU A . n +A 1 116 LYS 116 95 95 LYS LYS A . n +A 1 117 MET 117 96 96 MET MET A . n +A 1 118 THR 118 97 97 THR THR A . n +A 1 119 ASP 119 98 98 ASP ASP A . n +A 1 120 GLU 120 99 99 GLU GLU A . n +A 1 121 SER 121 100 100 SER SER A . n +A 1 122 GLY 122 101 101 GLY GLY A . n +A 1 123 VAL 123 102 102 VAL VAL A . n +A 1 124 ASP 124 103 103 ASP ASP A . n +A 1 125 ALA 125 104 104 ALA ALA A . n +A 1 126 LYS 126 105 105 LYS LYS A . n +A 1 127 LEU 127 106 106 LEU LEU A . n +A 1 128 VAL 128 107 107 VAL VAL A . n +A 1 129 ALA 129 108 108 ALA ALA A . n +A 1 130 VAL 130 109 109 VAL VAL A . n +A 1 131 PRO 131 110 110 PRO PRO A . n +A 1 132 HIS 132 111 111 HIS HIS A . n +A 1 133 ASP 133 112 112 ASP ASP A . n +A 1 134 LYS 134 113 113 LYS LYS A . n +A 1 135 VAL 135 114 114 VAL VAL A . n +A 1 136 CYS 136 115 115 CYS CYS A . n +A 1 137 PRO 137 116 116 PRO PRO A . n +A 1 138 MET 138 117 117 MET MET A . n +A 1 139 THR 139 118 118 THR THR A . n +A 1 140 ALA 140 119 119 ALA ALA A . n +A 1 141 ASN 141 120 120 ASN ASN A . n +A 1 142 LEU 142 121 121 LEU LEU A . n +A 1 143 LYS 143 122 122 LYS LYS A . n +A 1 144 SER 144 123 123 SER SER A . n +A 1 145 ILE 145 124 124 ILE ILE A . n +A 1 146 ASP 146 125 125 ASP ASP A . n +A 1 147 ASP 147 126 126 ASP ASP A . n +A 1 148 VAL 148 127 127 VAL VAL A . n +A 1 149 PRO 149 128 128 PRO PRO A . n +A 1 150 ALA 150 129 129 ALA ALA A . n +A 1 151 TYR 151 130 130 TYR TYR A . n +A 1 152 LEU 152 131 131 LEU LEU A . n +A 1 153 LYS 153 132 132 LYS LYS A . n +A 1 154 ASP 154 133 133 ASP ASP A . n +A 1 155 GLN 155 134 134 GLN GLN A . n +A 1 156 ILE 156 135 135 ILE ILE A . n +A 1 157 LYS 157 136 136 LYS LYS A . n +A 1 158 HIS 158 137 137 HIS HIS A . n +A 1 159 PHE 159 138 138 PHE PHE A . n +A 1 160 PHE 160 139 139 PHE PHE A . n +A 1 161 GLU 161 140 140 GLU GLU A . n +A 1 162 GLN 162 141 141 GLN GLN A . n +A 1 163 TYR 163 142 142 TYR TYR A . n +A 1 164 LYS 164 143 143 LYS LYS A . n +A 1 165 ALA 165 144 144 ALA ALA A . n +A 1 166 LEU 166 145 145 LEU LEU A . n +A 1 167 GLU 167 146 146 GLU GLU A . n +A 1 168 LYS 168 147 147 LYS LYS A . n +A 1 169 GLY 169 148 148 GLY GLY A . n +A 1 170 LYS 170 149 149 LYS LYS A . n +A 1 171 TRP 171 150 150 TRP TRP A . n +A 1 172 VAL 172 151 151 VAL VAL A . n +A 1 173 LYS 173 152 152 LYS LYS A . n +A 1 174 VAL 174 153 153 VAL VAL A . n +A 1 175 GLU 175 154 154 GLU GLU A . n +A 1 176 GLY 176 155 155 GLY GLY A . n +A 1 177 TRP 177 156 156 TRP TRP A . n +A 1 178 ASP 178 157 157 ASP ASP A . n +A 1 179 GLY 179 158 158 GLY GLY A . n +A 1 180 ILE 180 159 159 ILE ILE A . n +A 1 181 ASP 181 160 160 ASP ASP A . n +A 1 182 ALA 182 161 161 ALA ALA A . n +A 1 183 ALA 183 162 162 ALA ALA A . n +A 1 184 HIS 184 163 163 HIS HIS A . n +A 1 185 LYS 185 164 164 LYS LYS A . n +A 1 186 GLU 186 165 165 GLU GLU A . n +A 1 187 ILE 187 166 166 ILE ILE A . n +A 1 188 THR 188 167 167 THR THR A . n +A 1 189 ASP 189 168 168 ASP ASP A . n +A 1 190 GLY 190 169 169 GLY GLY A . n +A 1 191 VAL 191 170 170 VAL VAL A . n +A 1 192 ALA 192 171 171 ALA ALA A . n +A 1 193 ASN 193 172 172 ASN ASN A . n +A 1 194 PHE 194 173 173 PHE PHE A . n +A 1 195 LYS 195 174 174 LYS LYS A . n +A 1 196 LYS 196 175 175 LYS LYS A . n +# +_pdbx_SG_project.id 1 +_pdbx_SG_project.project_name ? +_pdbx_SG_project.full_name_of_center 'Seattle Structural Genomics Center for Infectious Disease' +_pdbx_SG_project.initial_of_center SSGCID +# +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 software_defined_assembly PISA hexameric 6 +2 software_defined_assembly PISA trimeric 3 +3 author_defined_assembly ? monomeric 1 +# +loop_ +_pdbx_struct_assembly_gen.assembly_id +_pdbx_struct_assembly_gen.oper_expression +_pdbx_struct_assembly_gen.asym_id_list +1 1,2,3,4,5,6 A,B,C,D,E,F,G,H,I +2 1,2,3 A,B,C,D,E,F,G,H,I +3 1 A,B,C,D,E,F,G,H,I +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 20130 ? +1 MORE -208 ? +1 'SSA (A^2)' 37680 ? +2 'ABSA (A^2)' 7740 ? +2 MORE -92 ? +2 'SSA (A^2)' 21160 ? +# +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_665 -y+1,x-y+1,z -0.5000000000 -0.8660254038 0.0000000000 50.4760000000 0.8660254038 +-0.5000000000 0.0000000000 87.4269965628 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +3 'crystal symmetry operation' 3_565 -x+y,-x+1,z -0.5000000000 0.8660254038 0.0000000000 -50.4760000000 -0.8660254038 +-0.5000000000 0.0000000000 87.4269965628 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +4 'crystal symmetry operation' 10_665 -y+1,-x+1,-z+1/2 0.5000000000 -0.8660254038 0.0000000000 50.4760000000 -0.8660254038 +-0.5000000000 0.0000000000 87.4269965628 0.0000000000 0.0000000000 -1.0000000000 55.6165000000 +5 'crystal symmetry operation' 11_555 -x+y,y,-z+1/2 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 +1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 55.6165000000 +6 'crystal symmetry operation' 12_565 x,x-y+1,-z+1/2 0.5000000000 0.8660254038 0.0000000000 -50.4760000000 0.8660254038 +-0.5000000000 0.0000000000 87.4269965628 0.0000000000 0.0000000000 -1.0000000000 55.6165000000 +# +_pdbx_struct_special_symmetry.id 1 +_pdbx_struct_special_symmetry.PDB_model_num 1 +_pdbx_struct_special_symmetry.auth_asym_id A +_pdbx_struct_special_symmetry.auth_comp_id K +_pdbx_struct_special_symmetry.auth_seq_id 176 +_pdbx_struct_special_symmetry.PDB_ins_code ? +_pdbx_struct_special_symmetry.label_asym_id B +_pdbx_struct_special_symmetry.label_comp_id K +_pdbx_struct_special_symmetry.label_seq_id . +# +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 OD1 ? A ASP 32 ? A ASP 11 ? 1_555 K ? B K . ? A K 176 ? 1_555 O ? A LEU 33 ? A LEU 12 ? 1_555 92.8 ? +2 OD1 ? A ASP 32 ? A ASP 11 ? 1_555 K ? B K . ? A K 176 ? 1_555 OE1 ? A GLN 35 ? A GLN 14 ? 1_555 100.9 ? +3 O ? A LEU 33 ? A LEU 12 ? 1_555 K ? B K . ? A K 176 ? 1_555 OE1 ? A GLN 35 ? A GLN 14 ? 1_555 87.2 ? +4 OD2 ? A ASP 92 ? A ASP 71 ? 1_555 NA ? D NA . ? A NA 178 ? 1_555 OD1 ? A ASP 124 ? A ASP 103 ? 1_555 94.9 ? +5 OD2 ? A ASP 92 ? A ASP 71 ? 1_555 NA ? D NA . ? A NA 178 ? 1_555 O ? A ALA 125 ? A ALA 104 ? 1_555 102.5 ? +6 OD1 ? A ASP 124 ? A ASP 103 ? 1_555 NA ? D NA . ? A NA 178 ? 1_555 O ? A ALA 125 ? A ALA 104 ? 1_555 85.4 ? +7 OD2 ? A ASP 92 ? A ASP 71 ? 1_555 NA ? D NA . ? A NA 178 ? 1_555 O ? I HOH . ? A HOH 247 ? 1_555 169.6 ? +8 OD1 ? A ASP 124 ? A ASP 103 ? 1_555 NA ? D NA . ? A NA 178 ? 1_555 O ? I HOH . ? A HOH 247 ? 1_555 95.4 ? +9 O ? A ALA 125 ? A ALA 104 ? 1_555 NA ? D NA . ? A NA 178 ? 1_555 O ? I HOH . ? A HOH 247 ? 1_555 79.9 ? +10 OD2 ? A ASP 92 ? A ASP 71 ? 1_555 NA ? D NA . ? A NA 178 ? 1_555 O ? I HOH . ? A HOH 245 ? 1_555 72.2 ? +11 OD1 ? A ASP 124 ? A ASP 103 ? 1_555 NA ? D NA . ? A NA 178 ? 1_555 O ? I HOH . ? A HOH 245 ? 1_555 146.6 ? +12 O ? A ALA 125 ? A ALA 104 ? 1_555 NA ? D NA . ? A NA 178 ? 1_555 O ? I HOH . ? A HOH 245 ? 1_555 127.0 ? +13 O ? I HOH . ? A HOH 247 ? 1_555 NA ? D NA . ? A NA 178 ? 1_555 O ? I HOH . ? A HOH 245 ? 1_555 98.2 ? +14 OD2 ? A ASP 92 ? A ASP 71 ? 1_555 NA ? D NA . ? A NA 178 ? 1_555 O ? I HOH . ? A HOH 263 ? 1_555 85.2 ? +15 OD1 ? A ASP 124 ? A ASP 103 ? 1_555 NA ? D NA . ? A NA 178 ? 1_555 O ? I HOH . ? A HOH 263 ? 1_555 155.0 ? +16 O ? A ALA 125 ? A ALA 104 ? 1_555 NA ? D NA . ? A NA 178 ? 1_555 O ? I HOH . ? A HOH 263 ? 1_555 70.3 ? +17 O ? I HOH . ? A HOH 247 ? 1_555 NA ? D NA . ? A NA 178 ? 1_555 O ? I HOH . ? A HOH 263 ? 1_555 86.0 ? +18 O ? I HOH . ? A HOH 245 ? 1_555 NA ? D NA . ? A NA 178 ? 1_555 O ? I HOH . ? A HOH 263 ? 1_555 56.8 ? +19 OD2 ? A ASP 119 ? A ASP 98 ? 1_555 NA ? C NA . ? A NA 177 ? 1_555 OD2 ? A ASP 124 ? A ASP 103 ? 1_555 91.4 ? +20 OD2 ? A ASP 119 ? A ASP 98 ? 1_555 NA ? C NA . ? A NA 177 ? 1_555 O6 ? E POP . ? A POP 179 ? 1_555 93.1 ? +21 OD2 ? A ASP 124 ? A ASP 103 ? 1_555 NA ? C NA . ? A NA 177 ? 1_555 O6 ? E POP . ? A POP 179 ? 1_555 172.2 ? +22 OD2 ? A ASP 119 ? A ASP 98 ? 1_555 NA ? C NA . ? A NA 177 ? 1_555 O ? I HOH . ? A HOH 257 ? 1_555 78.3 ? +23 OD2 ? A ASP 124 ? A ASP 103 ? 1_555 NA ? C NA . ? A NA 177 ? 1_555 O ? I HOH . ? A HOH 257 ? 1_555 74.9 ? +24 O6 ? E POP . ? A POP 179 ? 1_555 NA ? C NA . ? A NA 177 ? 1_555 O ? I HOH . ? A HOH 257 ? 1_555 112.2 ? +25 OD2 ? A ASP 119 ? A ASP 98 ? 1_555 NA ? C NA . ? A NA 177 ? 1_555 O3 ? E POP . ? A POP 179 ? 1_555 165.9 ? +26 OD2 ? A ASP 124 ? A ASP 103 ? 1_555 NA ? C NA . ? A NA 177 ? 1_555 O3 ? E POP . ? A POP 179 ? 1_555 100.0 ? +27 O6 ? E POP . ? A POP 179 ? 1_555 NA ? C NA . ? A NA 177 ? 1_555 O3 ? E POP . ? A POP 179 ? 1_555 76.6 ? +28 O ? I HOH . ? A HOH 257 ? 1_555 NA ? C NA . ? A NA 177 ? 1_555 O3 ? E POP . ? A POP 179 ? 1_555 96.5 ? +29 OD2 ? A ASP 119 ? A ASP 98 ? 1_555 NA ? C NA . ? A NA 177 ? 1_555 O ? I HOH . ? A HOH 201 ? 1_555 89.4 ? +30 OD2 ? A ASP 124 ? A ASP 103 ? 1_555 NA ? C NA . ? A NA 177 ? 1_555 O ? I HOH . ? A HOH 201 ? 1_555 88.0 ? +31 O6 ? E POP . ? A POP 179 ? 1_555 NA ? C NA . ? A NA 177 ? 1_555 O ? I HOH . ? A HOH 201 ? 1_555 85.7 ? +32 O ? I HOH . ? A HOH 257 ? 1_555 NA ? C NA . ? A NA 177 ? 1_555 O ? I HOH . ? A HOH 201 ? 1_555 158.6 ? +33 O3 ? E POP . ? A POP 179 ? 1_555 NA ? C NA . ? A NA 177 ? 1_555 O ? I HOH . ? A HOH 201 ? 1_555 99.2 ? +# +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 2008-09-30 +2 'Structure model' 1 1 2011-07-13 +3 'Structure model' 1 2 2011-10-05 +4 'Structure model' 1 3 2013-10-23 +# +_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' 'Database references' +3 4 'Structure model' 'Database references' +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +HKL-2000 'data collection' . ? 1 +MOLREP phasing . ? 2 +REFMAC refinement 5.4.0067 ? 3 +HKL-2000 'data reduction' . ? 4 +HKL-2000 'data scaling' . ? 5 +# +_pdbx_validate_close_contact.id 1 +_pdbx_validate_close_contact.PDB_model_num 1 +_pdbx_validate_close_contact.auth_atom_id_1 O +_pdbx_validate_close_contact.auth_asym_id_1 A +_pdbx_validate_close_contact.auth_comp_id_1 HOH +_pdbx_validate_close_contact.auth_seq_id_1 238 +_pdbx_validate_close_contact.PDB_ins_code_1 ? +_pdbx_validate_close_contact.label_alt_id_1 ? +_pdbx_validate_close_contact.auth_atom_id_2 O +_pdbx_validate_close_contact.auth_asym_id_2 A +_pdbx_validate_close_contact.auth_comp_id_2 HOH +_pdbx_validate_close_contact.auth_seq_id_2 281 +_pdbx_validate_close_contact.PDB_ins_code_2 ? +_pdbx_validate_close_contact.label_alt_id_2 ? +_pdbx_validate_close_contact.dist 2.06 +# +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 11 ? ? -159.79 81.33 +2 1 ASP A 98 ? ? -122.40 -168.63 +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 Y 1 A LYS 113 ? CG ? A LYS 134 CG +2 1 Y 1 A LYS 113 ? CD ? A LYS 134 CD +3 1 Y 1 A LYS 113 ? CE ? A LYS 134 CE +4 1 Y 1 A LYS 113 ? NZ ? A LYS 134 NZ +5 1 Y 1 A LYS 147 ? CG ? A LYS 168 CG +6 1 Y 1 A LYS 147 ? CD ? A LYS 168 CD +7 1 Y 1 A LYS 147 ? CE ? A LYS 168 CE +8 1 Y 1 A LYS 147 ? NZ ? A LYS 168 NZ +9 1 Y 1 A LYS 152 ? CG ? A LYS 173 CG +10 1 Y 1 A LYS 152 ? CD ? A LYS 173 CD +11 1 Y 1 A LYS 152 ? CE ? A LYS 173 CE +12 1 Y 1 A LYS 152 ? NZ ? A LYS 173 NZ +# +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 -20 ? A MET 1 +2 1 Y 1 A ALA -19 ? A ALA 2 +3 1 Y 1 A HIS -18 ? A HIS 3 +4 1 Y 1 A HIS -17 ? A HIS 4 +5 1 Y 1 A HIS -16 ? A HIS 5 +6 1 Y 1 A HIS -15 ? A HIS 6 +7 1 Y 1 A HIS -14 ? A HIS 7 +8 1 Y 1 A HIS -13 ? A HIS 8 +9 1 Y 1 A MET -12 ? A MET 9 +10 1 Y 1 A GLY -11 ? A GLY 10 +11 1 Y 1 A THR -10 ? A THR 11 +12 1 Y 1 A LEU -9 ? A LEU 12 +13 1 Y 1 A GLU -8 ? A GLU 13 +14 1 Y 1 A ALA -7 ? A ALA 14 +15 1 Y 1 A GLN -6 ? A GLN 15 +16 1 Y 1 A THR -5 ? A THR 16 +17 1 Y 1 A GLN -4 ? A GLN 17 +18 1 Y 1 A GLY -3 ? A GLY 18 +19 1 Y 1 A PRO -2 ? A PRO 19 +20 1 Y 1 A GLY -1 ? A GLY 20 +21 1 Y 1 A SER 0 ? A SER 21 +22 1 Y 1 A MET 1 ? A MET 22 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +2 'POTASSIUM ION' K +3 'SODIUM ION' NA +4 'PYROPHOSPHATE 2-' POP +5 'TETRAETHYLENE GLYCOL' PG4 +6 'DI(HYDROXYETHYL)ETHER' PEG +7 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 K 1 176 4 K K A . +C 3 NA 1 177 5 NA NA A . +D 3 NA 1 178 6 NA NA A . +E 4 POP 1 179 1 POP POP A . +F 5 PG4 1 180 1 PG4 PG4 A . +G 6 PEG 1 181 2 PEG PEG A . +H 6 PEG 1 182 3 PEG PEG A . +I 7 HOH 1 183 1 HOH HOH A . +I 7 HOH 2 184 2 HOH HOH A . +I 7 HOH 3 185 3 HOH HOH A . +I 7 HOH 4 186 4 HOH HOH A . +I 7 HOH 5 187 5 HOH HOH A . +I 7 HOH 6 188 6 HOH HOH A . +I 7 HOH 7 189 7 HOH HOH A . +I 7 HOH 8 190 8 HOH HOH A . +I 7 HOH 9 191 9 HOH HOH A . +I 7 HOH 10 192 10 HOH HOH A . +I 7 HOH 11 193 11 HOH HOH A . +I 7 HOH 12 194 12 HOH HOH A . +I 7 HOH 13 195 13 HOH HOH A . +I 7 HOH 14 196 14 HOH HOH A . +I 7 HOH 15 197 15 HOH HOH A . +I 7 HOH 16 198 16 HOH HOH A . +I 7 HOH 17 199 17 HOH HOH A . +I 7 HOH 18 200 18 HOH HOH A . +I 7 HOH 19 201 19 HOH HOH A . +I 7 HOH 20 202 20 HOH HOH A . +I 7 HOH 21 203 21 HOH HOH A . +I 7 HOH 22 204 22 HOH HOH A . +I 7 HOH 23 205 23 HOH HOH A . +I 7 HOH 24 206 24 HOH HOH A . +I 7 HOH 25 207 25 HOH HOH A . +I 7 HOH 26 208 26 HOH HOH A . +I 7 HOH 27 209 27 HOH HOH A . +I 7 HOH 28 210 28 HOH HOH A . +I 7 HOH 29 211 29 HOH HOH A . +I 7 HOH 30 212 30 HOH HOH A . +I 7 HOH 31 213 31 HOH HOH A . +I 7 HOH 32 214 32 HOH HOH A . +I 7 HOH 33 215 33 HOH HOH A . +I 7 HOH 34 216 34 HOH HOH A . +I 7 HOH 35 217 35 HOH HOH A . +I 7 HOH 36 218 36 HOH HOH A . +I 7 HOH 37 219 37 HOH HOH A . +I 7 HOH 38 220 38 HOH HOH A . +I 7 HOH 39 221 39 HOH HOH A . +I 7 HOH 40 222 40 HOH HOH A . +I 7 HOH 41 223 41 HOH HOH A . +I 7 HOH 42 224 42 HOH HOH A . +I 7 HOH 43 225 43 HOH HOH A . +I 7 HOH 44 226 44 HOH HOH A . +I 7 HOH 45 227 45 HOH HOH A . +I 7 HOH 46 228 46 HOH HOH A . +I 7 HOH 47 229 47 HOH HOH A . +I 7 HOH 48 230 48 HOH HOH A . +I 7 HOH 49 231 49 HOH HOH A . +I 7 HOH 50 232 51 HOH HOH A . +I 7 HOH 51 233 52 HOH HOH A . +I 7 HOH 52 234 53 HOH HOH A . +I 7 HOH 53 235 54 HOH HOH A . +I 7 HOH 54 236 55 HOH HOH A . +I 7 HOH 55 237 56 HOH HOH A . +I 7 HOH 56 238 58 HOH HOH A . +I 7 HOH 57 239 59 HOH HOH A . +I 7 HOH 58 240 60 HOH HOH A . +I 7 HOH 59 241 61 HOH HOH A . +I 7 HOH 60 242 62 HOH HOH A . +I 7 HOH 61 243 63 HOH HOH A . +I 7 HOH 62 244 64 HOH HOH A . +I 7 HOH 63 245 65 HOH HOH A . +I 7 HOH 64 246 66 HOH HOH A . +I 7 HOH 65 247 67 HOH HOH A . +I 7 HOH 66 248 68 HOH HOH A . +I 7 HOH 67 249 69 HOH HOH A . +I 7 HOH 68 250 70 HOH HOH A . +I 7 HOH 69 251 71 HOH HOH A . +I 7 HOH 70 252 72 HOH HOH A . +I 7 HOH 71 253 73 HOH HOH A . +I 7 HOH 72 254 74 HOH HOH A . +I 7 HOH 73 255 75 HOH HOH A . +I 7 HOH 74 256 76 HOH HOH A . +I 7 HOH 75 257 77 HOH HOH A . +I 7 HOH 76 258 78 HOH HOH A . +I 7 HOH 77 259 79 HOH HOH A . +I 7 HOH 78 260 80 HOH HOH A . +I 7 HOH 79 261 81 HOH HOH A . +I 7 HOH 80 262 82 HOH HOH A . +I 7 HOH 81 263 83 HOH HOH A . +I 7 HOH 82 264 84 HOH HOH A . +I 7 HOH 83 265 85 HOH HOH A . +I 7 HOH 84 266 86 HOH HOH A . +I 7 HOH 85 267 87 HOH HOH A . +I 7 HOH 86 268 88 HOH HOH A . +I 7 HOH 87 269 89 HOH HOH A . +I 7 HOH 88 270 91 HOH HOH A . +I 7 HOH 89 271 92 HOH HOH A . +I 7 HOH 90 272 93 HOH HOH A . +I 7 HOH 91 273 95 HOH HOH A . +I 7 HOH 92 274 96 HOH HOH A . +I 7 HOH 93 275 97 HOH HOH A . +I 7 HOH 94 276 98 HOH HOH A . +I 7 HOH 95 277 99 HOH HOH A . +I 7 HOH 96 278 100 HOH HOH A . +I 7 HOH 97 279 101 HOH HOH A . +I 7 HOH 98 280 102 HOH HOH A . +I 7 HOH 99 281 103 HOH HOH A . +I 7 HOH 100 282 104 HOH HOH A . +I 7 HOH 101 283 105 HOH HOH A . +I 7 HOH 102 284 106 HOH HOH A . +I 7 HOH 103 285 108 HOH HOH A . +I 7 HOH 104 286 109 HOH HOH A . +I 7 HOH 105 287 111 HOH HOH A . +I 7 HOH 106 288 112 HOH HOH A . +I 7 HOH 107 289 117 HOH HOH A . +I 7 HOH 108 290 118 HOH HOH A . +I 7 HOH 109 291 119 HOH HOH A . +I 7 HOH 110 292 121 HOH HOH A . +I 7 HOH 111 293 122 HOH HOH A . +I 7 HOH 112 294 123 HOH HOH A . +# diff --git a/test_files/3eiy.PDB b/test_files/3eiy.PDB new file mode 100644 index 000000000..837cc25d0 --- /dev/null +++ b/test_files/3eiy.PDB @@ -0,0 +1,2147 @@ +HEADER HYDROLASE 17-SEP-08 3EIY +TITLE CRYSTAL STRUCTURE OF INORGANIC PYROPHOSPHATASE FROM BURKHOLDERIA +TITLE 2 PSEUDOMALLEI WITH BOUND PYROPHOSPHATE +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; +COMPND 3 CHAIN: A; +COMPND 4 EC: 3.6.1.1; +COMPND 5 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI 1710B; +SOURCE 3 ORGANISM_TAXID: 320372; +SOURCE 4 GENE: PPA, BURPS1710B_1237; +SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); +SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 9 EXPRESSION_SYSTEM_PLASMID: AVA0421 +KEYWDS STRUCTURAL GENOMICS, SSGCID, PYROPHOSPHATASE, HYDROLASE, +KEYWDS 2 BUPSA.00023.A, SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS +KEYWDS 3 DISEASE' +EXPDTA X-RAY DIFFRACTION +AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (SSGCID) +REVDAT 4 23-OCT-13 3EIY 1 REMARK +REVDAT 3 05-OCT-11 3EIY 1 JRNL VERSN +REVDAT 2 24-FEB-09 3EIY 1 VERSN +REVDAT 1 30-SEP-08 3EIY 0 +JRNL AUTH W.C.VAN VOORHIS,W.G.HOL,P.J.MYLER,L.J.STEWART +JRNL TITL THE ROLE OF MEDICAL STRUCTURAL GENOMICS IN DISCOVERING NEW +JRNL TITL 2 DRUGS FOR INFECTIOUS DISEASES. +JRNL REF PLOS COMPUT BIOL V. 5 00530 2009 +JRNL REFN +JRNL PMID 19855826 +JRNL DOI 10.1371/JOURNAL.PCBI.1000530 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH L.BAUGH,L.A.GALLAGHER,R.PATRAPUVICH,M.C.CLIFTON, +REMARK 1 AUTH 2 A.S.GARDBERG,T.E.EDWARDS,B.ARMOUR,D.W.BEGLEY,S.H.DIETERICH, +REMARK 1 AUTH 3 D.M.DRANOW,J.ABENDROTH,J.W.FAIRMAN,D.FOX,B.L.STAKER,I.PHAN, +REMARK 1 AUTH 4 A.GILLESPIE,R.CHOI,S.NAKAZAWA-HEWITT,M.T.NGUYEN,A.NAPULI, +REMARK 1 AUTH 5 L.BARRETT,G.W.BUCHKO,R.STACY,P.J.MYLER,L.J.STEWART,C.MANOIL, +REMARK 1 AUTH 6 W.C.VAN VOORHIS +REMARK 1 TITL COMBINING FUNCTIONAL AND STRUCTURAL GENOMICS TO SAMPLE THE +REMARK 1 TITL 2 ESSENTIAL BURKHOLDERIA STRUCTOME. +REMARK 1 REF PLOS ONE V. 8 53851 2013 +REMARK 1 REFN ESSN 1932-6203 +REMARK 1 PMID 23382856 +REMARK 1 DOI 10.1371/JOURNAL.PONE.0053851 +REMARK 2 +REMARK 2 RESOLUTION. 2.10 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.4.0067 +REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 50.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : 19547 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.213 +REMARK 3 R VALUE (WORKING SET) : 0.211 +REMARK 3 FREE R VALUE : 0.249 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 +REMARK 3 FREE R VALUE TEST SET COUNT : 991 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.10 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.15 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 1250 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 90.60 +REMARK 3 BIN R VALUE (WORKING SET) : 0.3090 +REMARK 3 BIN FREE R VALUE SET COUNT : 71 +REMARK 3 BIN FREE R VALUE : 0.4070 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 1330 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 39 +REMARK 3 SOLVENT ATOMS : 112 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 30.12 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 0.80000 +REMARK 3 B22 (A**2) : 0.80000 +REMARK 3 B33 (A**2) : -1.21000 +REMARK 3 B12 (A**2) : 0.40000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.156 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.152 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.110 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.164 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.948 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.929 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1393 ; 0.015 ; 0.022 +REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1886 ; 1.460 ; 1.994 +REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 173 ; 5.857 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 56 ;32.570 ;25.357 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 222 ;15.203 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 4 ;18.890 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 209 ; 0.092 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1034 ; 0.007 ; 0.021 +REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 870 ; 0.890 ; 1.500 +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1408 ; 1.604 ; 2.000 +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 523 ; 2.198 ; 3.000 +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 478 ; 3.551 ; 4.500 +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING +REMARK 3 POSITIONS +REMARK 4 +REMARK 4 3EIY COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-SEP-08. +REMARK 100 THE RCSB ID CODE IS RCSB049380. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 04-SEP-08 +REMARK 200 TEMPERATURE (KELVIN) : 100.0 +REMARK 200 PH : 6.30 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : N +REMARK 200 RADIATION SOURCE : ROTATING ANODE +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : RIGAKU MICROMAX-007 HF +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : RIGAKU SATURN 944 +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 +REMARK 200 DATA SCALING SOFTWARE : HKL-2000 +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 19792 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 +REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 98.7 +REMARK 200 DATA REDUNDANCY : 3.600 +REMARK 200 R MERGE (I) : 0.10300 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 8.9000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.18 +REMARK 200 COMPLETENESS FOR SHELL (%) : 98.5 +REMARK 200 DATA REDUNDANCY IN SHELL : 2.70 +REMARK 200 R MERGE FOR SHELL (I) : 0.66900 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: MOLREP +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 67.71 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.81 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 100 MM NA/K PHOSPHATE, PH 6.3, 49.5% +REMARK 280 PEG 200. CRYSTAL 3 MONTHS OLD., PH 6.30, VAPOR DIFFUSION, SITTING +REMARK 280 DROP, TEMPERATURE 289K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 63 2 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z +REMARK 290 3555 -X+Y,-X,Z +REMARK 290 4555 -X,-Y,Z+1/2 +REMARK 290 5555 Y,-X+Y,Z+1/2 +REMARK 290 6555 X-Y,X,Z+1/2 +REMARK 290 7555 Y,X,-Z +REMARK 290 8555 X-Y,-Y,-Z +REMARK 290 9555 -X,-X+Y,-Z +REMARK 290 10555 -Y,-X,-Z+1/2 +REMARK 290 11555 -X+Y,Y,-Z+1/2 +REMARK 290 12555 X,X-Y,-Z+1/2 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 55.61650 +REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 55.61650 +REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 55.61650 +REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 55.61650 +REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 55.61650 +REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 55.61650 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2, 3 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 20130 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 37680 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -208.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 50.47600 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 87.42700 +REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 -50.47600 +REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 87.42700 +REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 4 0.500000 -0.866025 0.000000 50.47600 +REMARK 350 BIOMT2 4 -0.866025 -0.500000 0.000000 87.42700 +REMARK 350 BIOMT3 4 0.000000 0.000000 -1.000000 55.61650 +REMARK 350 BIOMT1 5 -1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 5 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 5 0.000000 0.000000 -1.000000 55.61650 +REMARK 350 BIOMT1 6 0.500000 0.866025 0.000000 -50.47600 +REMARK 350 BIOMT2 6 0.866025 -0.500000 0.000000 87.42700 +REMARK 350 BIOMT3 6 0.000000 0.000000 -1.000000 55.61650 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 7740 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 21160 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -92.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 50.47600 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 87.42700 +REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 -50.47600 +REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 87.42700 +REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 3 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 375 +REMARK 375 SPECIAL POSITION +REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS +REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL +REMARK 375 POSITIONS. +REMARK 375 +REMARK 375 ATOM RES CSSEQI +REMARK 375 K K A 176 LIES ON A SPECIAL POSITION. +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 MET A -20 +REMARK 465 ALA A -19 +REMARK 465 HIS A -18 +REMARK 465 HIS A -17 +REMARK 465 HIS A -16 +REMARK 465 HIS A -15 +REMARK 465 HIS A -14 +REMARK 465 HIS A -13 +REMARK 465 MET A -12 +REMARK 465 GLY A -11 +REMARK 465 THR A -10 +REMARK 465 LEU A -9 +REMARK 465 GLU A -8 +REMARK 465 ALA A -7 +REMARK 465 GLN A -6 +REMARK 465 THR A -5 +REMARK 465 GLN A -4 +REMARK 465 GLY A -3 +REMARK 465 PRO A -2 +REMARK 465 GLY A -1 +REMARK 465 SER A 0 +REMARK 465 MET A 1 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 LYS A 113 CG CD CE NZ +REMARK 470 LYS A 147 CG CD CE NZ +REMARK 470 LYS A 152 CG CD CE NZ +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 O HOH A 238 O HOH A 281 2.06 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ASP A 11 81.33 -159.79 +REMARK 500 ASP A 98 -168.63 -122.40 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 K A 176 K +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP A 11 OD1 +REMARK 620 2 LEU A 12 O 92.8 +REMARK 620 3 GLN A 14 OE1 100.9 87.2 +REMARK 620 N 1 2 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 NA A 178 NA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP A 71 OD2 +REMARK 620 2 ASP A 103 OD1 94.9 +REMARK 620 3 ALA A 104 O 102.5 85.4 +REMARK 620 4 HOH A 247 O 169.6 95.4 79.9 +REMARK 620 5 HOH A 245 O 72.2 146.6 127.0 98.2 +REMARK 620 6 HOH A 263 O 85.2 155.0 70.3 86.0 56.8 +REMARK 620 N 1 2 3 4 5 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 NA A 177 NA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP A 98 OD2 +REMARK 620 2 ASP A 103 OD2 91.4 +REMARK 620 3 POP A 179 O6 93.1 172.2 +REMARK 620 4 HOH A 257 O 78.3 74.9 112.2 +REMARK 620 5 POP A 179 O3 165.9 100.0 76.6 96.5 +REMARK 620 6 HOH A 201 O 89.4 88.0 85.7 158.6 99.2 +REMARK 620 N 1 2 3 4 5 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 176 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 177 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 178 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE POP A 179 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PG4 A 180 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEG A 181 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEG A 182 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: BUPSA.00023.A RELATED DB: TARGETDB +REMARK 900 RELATED ID: 3D63 RELATED DB: PDB +REMARK 900 THE SAME PROTEIN, "OPEN" CONFORMATION, APO FORM, IN SPACE +REMARK 900 GROUP P21212 +REMARK 900 RELATED ID: 3EIZ RELATED DB: PDB +REMARK 900 RELATED ID: 3EJ0 RELATED DB: PDB +REMARK 900 RELATED ID: 3EJ2 RELATED DB: PDB +DBREF 3EIY A 1 175 UNP Q3JUV5 Q3JUV5_BURP1 1 175 +SEQADV 3EIY MET A -20 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY ALA A -19 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY HIS A -18 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY HIS A -17 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY HIS A -16 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY HIS A -15 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY HIS A -14 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY HIS A -13 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY MET A -12 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY GLY A -11 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY THR A -10 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY LEU A -9 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY GLU A -8 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY ALA A -7 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY GLN A -6 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY THR A -5 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY GLN A -4 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY GLY A -3 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY PRO A -2 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY GLY A -1 UNP Q3JUV5 EXPRESSION TAG +SEQADV 3EIY SER A 0 UNP Q3JUV5 EXPRESSION TAG +SEQRES 1 A 196 MET ALA HIS HIS HIS HIS HIS HIS MET GLY THR LEU GLU +SEQRES 2 A 196 ALA GLN THR GLN GLY PRO GLY SER MET SER PHE SER ASN +SEQRES 3 A 196 VAL PRO ALA GLY LYS ASP LEU PRO GLN ASP PHE ASN VAL +SEQRES 4 A 196 ILE ILE GLU ILE PRO ALA GLN SER GLU PRO VAL LYS TYR +SEQRES 5 A 196 GLU ALA ASP LYS ALA LEU GLY LEU LEU VAL VAL ASP ARG +SEQRES 6 A 196 PHE ILE GLY THR GLY MET ARG TYR PRO VAL ASN TYR GLY +SEQRES 7 A 196 PHE ILE PRO GLN THR LEU SER GLY ASP GLY ASP PRO VAL +SEQRES 8 A 196 ASP VAL LEU VAL ILE THR PRO PHE PRO LEU LEU ALA GLY +SEQRES 9 A 196 SER VAL VAL ARG ALA ARG ALA LEU GLY MET LEU LYS MET +SEQRES 10 A 196 THR ASP GLU SER GLY VAL ASP ALA LYS LEU VAL ALA VAL +SEQRES 11 A 196 PRO HIS ASP LYS VAL CYS PRO MET THR ALA ASN LEU LYS +SEQRES 12 A 196 SER ILE ASP ASP VAL PRO ALA TYR LEU LYS ASP GLN ILE +SEQRES 13 A 196 LYS HIS PHE PHE GLU GLN TYR LYS ALA LEU GLU LYS GLY +SEQRES 14 A 196 LYS TRP VAL LYS VAL GLU GLY TRP ASP GLY ILE ASP ALA +SEQRES 15 A 196 ALA HIS LYS GLU ILE THR ASP GLY VAL ALA ASN PHE LYS +SEQRES 16 A 196 LYS +HET K A 176 1 +HET NA A 177 1 +HET NA A 178 1 +HET POP A 179 9 +HET PG4 A 180 13 +HET PEG A 181 7 +HET PEG A 182 7 +HETNAM K POTASSIUM ION +HETNAM NA SODIUM ION +HETNAM POP PYROPHOSPHATE 2- +HETNAM PG4 TETRAETHYLENE GLYCOL +HETNAM PEG DI(HYDROXYETHYL)ETHER +FORMUL 2 K K 1+ +FORMUL 3 NA 2(NA 1+) +FORMUL 5 POP H2 O7 P2 2- +FORMUL 6 PG4 C8 H18 O5 +FORMUL 7 PEG 2(C4 H10 O3) +FORMUL 9 HOH *112(H2 O) +HELIX 1 1 SER A 2 VAL A 6 5 5 +HELIX 2 2 CYS A 115 ALA A 119 5 5 +HELIX 3 3 SER A 123 VAL A 127 5 5 +HELIX 4 4 PRO A 128 TYR A 142 1 15 +HELIX 5 5 GLY A 158 LYS A 175 1 18 +SHEET 1 A 7 VAL A 151 ASP A 157 0 +SHEET 2 A 7 VAL A 85 ASP A 98 -1 N LYS A 95 O GLY A 155 +SHEET 3 A 7 GLY A 101 PRO A 110 -1 O LYS A 105 N LEU A 94 +SHEET 4 A 7 VAL A 70 VAL A 74 1 N LEU A 73 O ALA A 108 +SHEET 5 A 7 ASN A 55 ILE A 59 -1 N GLY A 57 O VAL A 72 +SHEET 6 A 7 PHE A 16 ILE A 22 -1 N ILE A 19 O PHE A 58 +SHEET 7 A 7 VAL A 85 ASP A 98 -1 O ALA A 88 N PHE A 16 +SHEET 1 B 2 VAL A 29 ASP A 34 0 +SHEET 2 B 2 LEU A 39 PHE A 45 -1 O LEU A 39 N ASP A 34 +LINK OD1 ASP A 11 K K A 176 1555 1555 2.73 +LINK O LEU A 12 K K A 176 1555 1555 2.65 +LINK OE1 GLN A 14 K K A 176 1555 1555 2.92 +LINK OD2 ASP A 71 NA NA A 178 1555 1555 2.81 +LINK OD2 ASP A 98 NA NA A 177 1555 1555 2.65 +LINK OD1 ASP A 103 NA NA A 178 1555 1555 2.53 +LINK OD2 ASP A 103 NA NA A 177 1555 1555 2.58 +LINK O ALA A 104 NA NA A 178 1555 1555 2.92 +LINK NA NA A 177 O6 POP A 179 1555 1555 2.56 +LINK NA NA A 177 O HOH A 257 1555 1555 2.65 +LINK NA NA A 177 O3 POP A 179 1555 1555 2.20 +LINK NA NA A 177 O HOH A 201 1555 1555 2.50 +LINK NA NA A 178 O HOH A 247 1555 1555 2.86 +LINK NA NA A 178 O HOH A 245 1555 1555 2.66 +LINK NA NA A 178 O HOH A 263 1555 1555 2.50 +CISPEP 1 LEU A 12 PRO A 13 0 -0.44 +SITE 1 AC1 3 ASP A 11 LEU A 12 GLN A 14 +SITE 1 AC2 6 ASP A 98 ASP A 103 LYS A 143 POP A 179 +SITE 2 AC2 6 HOH A 201 HOH A 257 +SITE 1 AC3 7 ASP A 66 ASP A 71 ASP A 103 ALA A 104 +SITE 2 AC3 7 HOH A 245 HOH A 247 HOH A 263 +SITE 1 AC4 14 LYS A 30 ARG A 44 TYR A 56 ASP A 103 +SITE 2 AC4 14 LYS A 105 TYR A 142 LYS A 143 NA A 177 +SITE 3 AC4 14 HOH A 200 HOH A 221 HOH A 238 HOH A 239 +SITE 4 AC4 14 HOH A 260 HOH A 267 +SITE 1 AC5 7 GLY A 9 LYS A 10 ASP A 11 LEU A 12 +SITE 2 AC5 7 GLN A 14 ASP A 160 HIS A 163 +SITE 1 AC6 4 LYS A 136 VAL A 153 GLU A 154 TRP A 156 +SITE 1 AC7 3 ARG A 87 LYS A 113 VAL A 114 +CRYST1 100.952 100.952 111.233 90.00 90.00 120.00 P 63 2 2 12 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.009906 0.005719 0.000000 0.00000 +SCALE2 0.000000 0.011438 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.008990 0.00000 +ATOM 1 N SER A 2 2.527 54.656 -1.667 1.00 52.73 N +ATOM 2 CA SER A 2 3.259 54.783 -0.368 1.00 52.54 C +ATOM 3 C SER A 2 4.127 53.553 -0.105 1.00 52.03 C +ATOM 4 O SER A 2 5.274 53.451 -0.594 1.00 52.45 O +ATOM 5 CB SER A 2 2.273 54.944 0.792 1.00 52.69 C +ATOM 6 OG SER A 2 2.066 56.306 1.121 1.00 54.37 O +ATOM 7 N PHE A 3 3.563 52.626 0.674 1.00 50.61 N +ATOM 8 CA PHE A 3 4.261 51.413 1.102 1.00 48.73 C +ATOM 9 C PHE A 3 4.881 50.670 -0.064 1.00 48.17 C +ATOM 10 O PHE A 3 6.035 50.257 0.019 1.00 47.56 O +ATOM 11 CB PHE A 3 3.342 50.479 1.896 1.00 47.95 C +ATOM 12 CG PHE A 3 2.747 51.112 3.120 1.00 46.23 C +ATOM 13 CD1 PHE A 3 3.425 52.100 3.804 1.00 43.75 C +ATOM 14 CD2 PHE A 3 1.509 50.701 3.594 1.00 45.77 C +ATOM 15 CE1 PHE A 3 2.893 52.679 4.942 1.00 44.62 C +ATOM 16 CE2 PHE A 3 0.955 51.280 4.728 1.00 45.65 C +ATOM 17 CZ PHE A 3 1.655 52.273 5.409 1.00 45.91 C +ATOM 18 N SER A 4 4.122 50.518 -1.151 1.00 47.69 N +ATOM 19 CA SER A 4 4.593 49.745 -2.323 1.00 47.00 C +ATOM 20 C SER A 4 5.896 50.254 -2.977 1.00 45.29 C +ATOM 21 O SER A 4 6.627 49.479 -3.592 1.00 45.34 O +ATOM 22 CB SER A 4 3.489 49.633 -3.387 1.00 47.47 C +ATOM 23 OG SER A 4 3.169 50.916 -3.908 1.00 49.92 O +ATOM 24 N ASN A 5 6.184 51.544 -2.832 1.00 43.32 N +ATOM 25 CA ASN A 5 7.351 52.145 -3.480 1.00 41.42 C +ATOM 26 C ASN A 5 8.584 52.307 -2.574 1.00 39.00 C +ATOM 27 O ASN A 5 9.629 52.802 -3.000 1.00 38.69 O +ATOM 28 CB ASN A 5 6.958 53.491 -4.094 1.00 42.02 C +ATOM 29 CG ASN A 5 6.108 53.321 -5.366 1.00 45.67 C +ATOM 30 OD1 ASN A 5 4.862 53.286 -5.312 1.00 48.48 O +ATOM 31 ND2 ASN A 5 6.784 53.176 -6.513 1.00 47.35 N +ATOM 32 N VAL A 6 8.466 51.922 -1.312 1.00 35.70 N +ATOM 33 CA VAL A 6 9.636 51.959 -0.457 1.00 32.41 C +ATOM 34 C VAL A 6 10.595 50.807 -0.862 1.00 30.30 C +ATOM 35 O VAL A 6 10.176 49.658 -0.964 1.00 29.28 O +ATOM 36 CB VAL A 6 9.242 51.846 1.038 1.00 32.26 C +ATOM 37 CG1 VAL A 6 10.476 51.902 1.905 1.00 30.72 C +ATOM 38 CG2 VAL A 6 8.257 52.934 1.415 1.00 30.80 C +ATOM 39 N PRO A 7 11.890 51.109 -1.064 1.00 28.73 N +ATOM 40 CA PRO A 7 12.827 50.031 -1.447 1.00 27.85 C +ATOM 41 C PRO A 7 12.952 49.030 -0.321 1.00 26.92 C +ATOM 42 O PRO A 7 12.827 49.397 0.859 1.00 26.32 O +ATOM 43 CB PRO A 7 14.159 50.763 -1.644 1.00 27.56 C +ATOM 44 CG PRO A 7 13.784 52.193 -1.869 1.00 28.99 C +ATOM 45 CD PRO A 7 12.550 52.421 -1.016 1.00 28.59 C +ATOM 46 N ALA A 8 13.208 47.777 -0.660 1.00 26.04 N +ATOM 47 CA ALA A 8 13.463 46.785 0.378 1.00 25.67 C +ATOM 48 C ALA A 8 14.702 47.145 1.205 1.00 25.55 C +ATOM 49 O ALA A 8 14.786 46.804 2.395 1.00 25.75 O +ATOM 50 CB ALA A 8 13.588 45.395 -0.224 1.00 25.25 C +ATOM 51 N GLY A 9 15.668 47.834 0.598 1.00 25.34 N +ATOM 52 CA GLY A 9 16.864 48.237 1.344 1.00 25.46 C +ATOM 53 C GLY A 9 17.905 48.951 0.506 1.00 26.30 C +ATOM 54 O GLY A 9 17.865 48.854 -0.717 1.00 26.99 O +ATOM 55 N LYS A 10 18.834 49.654 1.159 1.00 26.15 N +ATOM 56 CA LYS A 10 19.941 50.322 0.477 1.00 27.63 C +ATOM 57 C LYS A 10 21.104 49.348 0.102 1.00 27.17 C +ATOM 58 O LYS A 10 21.920 49.640 -0.769 1.00 28.04 O +ATOM 59 CB LYS A 10 20.522 51.442 1.352 1.00 27.27 C +ATOM 60 CG LYS A 10 19.619 52.654 1.569 1.00 32.65 C +ATOM 61 CD LYS A 10 20.334 53.690 2.451 1.00 38.46 C +ATOM 62 CE LYS A 10 19.720 55.094 2.319 1.00 42.10 C +ATOM 63 NZ LYS A 10 18.235 55.016 2.421 1.00 42.82 N +ATOM 64 N ASP A 11 21.204 48.221 0.782 1.00 26.40 N +ATOM 65 CA ASP A 11 22.265 47.261 0.452 1.00 25.76 C +ATOM 66 C ASP A 11 21.901 45.893 0.979 1.00 24.71 C +ATOM 67 O ASP A 11 22.369 45.488 2.037 1.00 25.14 O +ATOM 68 CB ASP A 11 23.639 47.723 0.995 1.00 25.24 C +ATOM 69 CG ASP A 11 24.809 47.007 0.321 1.00 26.43 C +ATOM 70 OD1 ASP A 11 24.583 45.956 -0.326 1.00 25.79 O +ATOM 71 OD2 ASP A 11 25.973 47.447 0.460 1.00 27.48 O +ATOM 72 N LEU A 12 21.065 45.188 0.225 1.00 24.00 N +ATOM 73 CA LEU A 12 20.522 43.892 0.629 1.00 24.17 C +ATOM 74 C LEU A 12 21.527 42.731 0.574 1.00 24.26 C +ATOM 75 O LEU A 12 22.415 42.717 -0.279 1.00 23.90 O +ATOM 76 CB LEU A 12 19.327 43.549 -0.255 1.00 23.47 C +ATOM 77 CG LEU A 12 18.183 44.559 -0.124 1.00 24.51 C +ATOM 78 CD1 LEU A 12 17.245 44.405 -1.303 1.00 24.49 C +ATOM 79 CD2 LEU A 12 17.457 44.315 1.204 1.00 21.79 C +ATOM 80 N PRO A 13 21.386 41.743 1.476 1.00 24.36 N +ATOM 81 CA PRO A 13 20.351 41.670 2.533 1.00 24.17 C +ATOM 82 C PRO A 13 20.685 42.375 3.838 1.00 24.39 C +ATOM 83 O PRO A 13 19.834 42.426 4.711 1.00 25.43 O +ATOM 84 CB PRO A 13 20.288 40.158 2.827 1.00 23.15 C +ATOM 85 CG PRO A 13 21.729 39.721 2.577 1.00 24.50 C +ATOM 86 CD PRO A 13 22.089 40.451 1.320 1.00 23.40 C +ATOM 87 N GLN A 14 21.914 42.858 4.024 1.00 24.55 N +ATOM 88 CA GLN A 14 22.326 43.248 5.367 1.00 24.52 C +ATOM 89 C GLN A 14 21.819 44.648 5.828 1.00 24.75 C +ATOM 90 O GLN A 14 21.677 44.894 7.030 1.00 24.93 O +ATOM 91 CB GLN A 14 23.855 43.075 5.569 1.00 24.43 C +ATOM 92 CG GLN A 14 24.713 44.188 5.026 1.00 23.98 C +ATOM 93 CD GLN A 14 25.043 43.985 3.535 1.00 28.20 C +ATOM 94 OE1 GLN A 14 24.581 43.009 2.886 1.00 24.90 O +ATOM 95 NE2 GLN A 14 25.852 44.905 2.978 1.00 26.11 N +ATOM 96 N ASP A 15 21.564 45.534 4.870 1.00 23.84 N +ATOM 97 CA ASP A 15 21.118 46.909 5.116 1.00 24.38 C +ATOM 98 C ASP A 15 19.713 47.043 4.478 1.00 23.69 C +ATOM 99 O ASP A 15 19.595 47.207 3.252 1.00 24.21 O +ATOM 100 CB ASP A 15 22.139 47.858 4.480 1.00 23.38 C +ATOM 101 CG ASP A 15 21.822 49.319 4.698 1.00 26.33 C +ATOM 102 OD1 ASP A 15 20.881 49.684 5.451 1.00 27.50 O +ATOM 103 OD2 ASP A 15 22.525 50.140 4.100 1.00 26.80 O +ATOM 104 N PHE A 16 18.663 46.860 5.294 1.00 23.31 N +ATOM 105 CA PHE A 16 17.273 46.837 4.816 1.00 23.19 C +ATOM 106 C PHE A 16 16.304 47.845 5.526 1.00 23.35 C +ATOM 107 O PHE A 16 16.611 48.396 6.589 1.00 23.52 O +ATOM 108 CB PHE A 16 16.708 45.420 4.913 1.00 22.15 C +ATOM 109 CG PHE A 16 16.755 44.850 6.304 1.00 23.52 C +ATOM 110 CD1 PHE A 16 15.651 44.981 7.178 1.00 21.74 C +ATOM 111 CD2 PHE A 16 17.894 44.177 6.749 1.00 21.69 C +ATOM 112 CE1 PHE A 16 15.692 44.448 8.458 1.00 23.07 C +ATOM 113 CE2 PHE A 16 17.962 43.648 8.041 1.00 21.56 C +ATOM 114 CZ PHE A 16 16.870 43.770 8.903 1.00 22.24 C +ATOM 115 N ASN A 17 15.127 48.049 4.936 1.00 23.34 N +ATOM 116 CA ASN A 17 14.124 48.961 5.479 1.00 22.99 C +ATOM 117 C ASN A 17 12.974 48.168 6.088 1.00 22.52 C +ATOM 118 O ASN A 17 12.615 47.109 5.587 1.00 21.94 O +ATOM 119 CB ASN A 17 13.567 49.872 4.354 1.00 24.37 C +ATOM 120 CG ASN A 17 14.635 50.818 3.792 1.00 24.52 C +ATOM 121 OD1 ASN A 17 15.483 51.296 4.541 1.00 26.24 O +ATOM 122 ND2 ASN A 17 14.609 51.063 2.469 1.00 22.96 N +ATOM 123 N VAL A 18 12.406 48.688 7.175 1.00 22.23 N +ATOM 124 CA VAL A 18 11.233 48.079 7.822 1.00 20.84 C +ATOM 125 C VAL A 18 10.145 49.150 7.953 1.00 20.77 C +ATOM 126 O VAL A 18 10.375 50.259 8.466 1.00 20.23 O +ATOM 127 CB VAL A 18 11.556 47.505 9.264 1.00 21.36 C +ATOM 128 CG1 VAL A 18 10.350 46.768 9.827 1.00 19.07 C +ATOM 129 CG2 VAL A 18 12.803 46.559 9.236 1.00 19.34 C +ATOM 130 N ILE A 19 8.968 48.830 7.446 1.00 20.63 N +ATOM 131 CA ILE A 19 7.808 49.672 7.712 1.00 21.06 C +ATOM 132 C ILE A 19 7.109 49.163 8.967 1.00 20.14 C +ATOM 133 O ILE A 19 6.763 47.954 9.057 1.00 19.42 O +ATOM 134 CB ILE A 19 6.841 49.673 6.498 1.00 22.11 C +ATOM 135 CG1 ILE A 19 7.500 50.469 5.349 1.00 22.28 C +ATOM 136 CG2 ILE A 19 5.467 50.272 6.876 1.00 19.98 C +ATOM 137 CD1 ILE A 19 6.887 50.180 3.973 1.00 24.13 C +ATOM 138 N ILE A 20 6.914 50.062 9.937 1.00 19.07 N +ATOM 139 CA ILE A 20 6.335 49.641 11.228 1.00 18.73 C +ATOM 140 C ILE A 20 4.808 49.541 11.151 1.00 19.01 C +ATOM 141 O ILE A 20 4.148 50.500 10.726 1.00 20.15 O +ATOM 142 CB ILE A 20 6.767 50.609 12.367 1.00 18.68 C +ATOM 143 CG1 ILE A 20 8.310 50.664 12.407 1.00 18.52 C +ATOM 144 CG2 ILE A 20 6.131 50.202 13.761 1.00 17.94 C +ATOM 145 CD1 ILE A 20 8.972 49.240 12.614 1.00 16.95 C +ATOM 146 N GLU A 21 4.251 48.404 11.563 1.00 18.77 N +ATOM 147 CA GLU A 21 2.788 48.243 11.677 1.00 19.87 C +ATOM 148 C GLU A 21 2.290 48.373 13.130 1.00 19.89 C +ATOM 149 O GLU A 21 1.226 48.954 13.377 1.00 20.64 O +ATOM 150 CB GLU A 21 2.343 46.896 11.092 1.00 19.24 C +ATOM 151 CG GLU A 21 2.620 46.756 9.582 1.00 21.01 C +ATOM 152 CD GLU A 21 2.500 45.327 9.118 1.00 22.65 C +ATOM 153 OE1 GLU A 21 3.120 44.447 9.729 1.00 26.58 O +ATOM 154 OE2 GLU A 21 1.771 45.072 8.153 1.00 23.20 O +ATOM 155 N ILE A 22 3.076 47.870 14.079 1.00 19.73 N +ATOM 156 CA ILE A 22 2.667 47.809 15.505 1.00 19.94 C +ATOM 157 C ILE A 22 3.788 48.237 16.456 1.00 19.81 C +ATOM 158 O ILE A 22 4.767 47.517 16.605 1.00 21.37 O +ATOM 159 CB ILE A 22 2.182 46.370 15.899 1.00 20.44 C +ATOM 160 CG1 ILE A 22 1.021 45.935 15.009 1.00 19.03 C +ATOM 161 CG2 ILE A 22 1.789 46.307 17.367 1.00 19.40 C +ATOM 162 CD1 ILE A 22 0.659 44.455 15.118 1.00 19.72 C +ATOM 163 N PRO A 23 3.672 49.434 17.073 1.00 19.24 N +ATOM 164 CA PRO A 23 4.714 49.919 18.016 1.00 18.94 C +ATOM 165 C PRO A 23 4.816 48.987 19.246 1.00 19.28 C +ATOM 166 O PRO A 23 3.819 48.398 19.666 1.00 19.56 O +ATOM 167 CB PRO A 23 4.201 51.308 18.436 1.00 18.92 C +ATOM 168 CG PRO A 23 3.286 51.728 17.295 1.00 17.76 C +ATOM 169 CD PRO A 23 2.608 50.421 16.861 1.00 17.40 C +ATOM 170 N ALA A 24 6.026 48.803 19.761 1.00 18.68 N +ATOM 171 CA ALA A 24 6.227 48.079 21.006 1.00 18.54 C +ATOM 172 C ALA A 24 5.270 48.569 22.090 1.00 18.10 C +ATOM 173 O ALA A 24 5.137 49.785 22.277 1.00 18.29 O +ATOM 174 CB ALA A 24 7.660 48.250 21.486 1.00 17.41 C +ATOM 175 N GLN A 25 4.623 47.639 22.805 1.00 17.44 N +ATOM 176 CA GLN A 25 3.743 48.001 23.972 1.00 18.87 C +ATOM 177 C GLN A 25 2.476 48.811 23.642 1.00 18.88 C +ATOM 178 O GLN A 25 1.787 49.325 24.541 1.00 19.08 O +ATOM 179 CB GLN A 25 4.570 48.733 25.062 1.00 18.70 C +ATOM 180 CG GLN A 25 5.715 47.839 25.644 1.00 19.85 C +ATOM 181 CD GLN A 25 5.192 46.588 26.346 1.00 22.15 C +ATOM 182 OE1 GLN A 25 4.040 46.540 26.806 1.00 25.01 O +ATOM 183 NE2 GLN A 25 6.035 45.573 26.446 1.00 22.42 N +ATOM 184 N SER A 26 2.145 48.938 22.364 1.00 19.33 N +ATOM 185 CA SER A 26 0.912 49.648 21.988 1.00 19.59 C +ATOM 186 C SER A 26 -0.320 48.844 22.464 1.00 20.50 C +ATOM 187 O SER A 26 -0.237 47.623 22.727 1.00 20.29 O +ATOM 188 CB SER A 26 0.884 49.925 20.458 1.00 19.67 C +ATOM 189 OG SER A 26 1.003 48.706 19.704 1.00 19.08 O +ATOM 190 N GLU A 27 -1.464 49.514 22.603 1.00 20.38 N +ATOM 191 CA GLU A 27 -2.696 48.815 22.968 1.00 21.73 C +ATOM 192 C GLU A 27 -2.899 47.630 22.013 1.00 21.32 C +ATOM 193 O GLU A 27 -2.468 47.677 20.875 1.00 21.54 O +ATOM 194 CB GLU A 27 -3.896 49.808 23.027 1.00 21.74 C +ATOM 195 CG GLU A 27 -3.758 50.649 24.300 1.00 23.24 C +ATOM 196 CD GLU A 27 -4.826 51.710 24.535 1.00 25.87 C +ATOM 197 OE1 GLU A 27 -5.477 52.149 23.596 1.00 25.51 O +ATOM 198 OE2 GLU A 27 -5.000 52.130 25.698 1.00 25.72 O +ATOM 199 N PRO A 28 -3.555 46.560 22.480 1.00 21.62 N +ATOM 200 CA PRO A 28 -3.561 45.259 21.771 1.00 21.72 C +ATOM 201 C PRO A 28 -4.457 45.171 20.496 1.00 22.43 C +ATOM 202 O PRO A 28 -5.421 44.391 20.437 1.00 22.00 O +ATOM 203 CB PRO A 28 -4.038 44.271 22.855 1.00 21.26 C +ATOM 204 CG PRO A 28 -4.768 45.110 23.839 1.00 21.70 C +ATOM 205 CD PRO A 28 -4.153 46.479 23.829 1.00 21.25 C +ATOM 206 N VAL A 29 -4.098 45.952 19.485 1.00 23.11 N +ATOM 207 CA VAL A 29 -4.811 46.024 18.207 1.00 23.26 C +ATOM 208 C VAL A 29 -3.804 45.704 17.111 1.00 23.88 C +ATOM 209 O VAL A 29 -2.754 46.345 17.004 1.00 23.18 O +ATOM 210 CB VAL A 29 -5.430 47.448 17.974 1.00 23.27 C +ATOM 211 CG1 VAL A 29 -6.368 47.470 16.769 1.00 21.69 C +ATOM 212 CG2 VAL A 29 -6.114 47.970 19.256 1.00 22.25 C +ATOM 213 N LYS A 30 -4.115 44.681 16.315 1.00 24.89 N +ATOM 214 CA LYS A 30 -3.209 44.200 15.259 1.00 26.06 C +ATOM 215 C LYS A 30 -3.450 44.954 13.937 1.00 26.00 C +ATOM 216 O LYS A 30 -4.425 44.686 13.244 1.00 26.59 O +ATOM 217 CB LYS A 30 -3.467 42.692 15.077 1.00 26.61 C +ATOM 218 CG LYS A 30 -2.248 41.822 14.884 1.00 28.45 C +ATOM 219 CD LYS A 30 -1.999 41.562 13.421 1.00 28.74 C +ATOM 220 CE LYS A 30 -0.999 40.442 13.240 1.00 30.16 C +ATOM 221 NZ LYS A 30 -0.274 40.696 11.977 1.00 28.79 N +ATOM 222 N TYR A 31 -2.613 45.936 13.595 1.00 25.80 N +ATOM 223 CA TYR A 31 -2.729 46.580 12.294 1.00 25.22 C +ATOM 224 C TYR A 31 -1.864 45.867 11.261 1.00 27.00 C +ATOM 225 O TYR A 31 -0.798 45.336 11.598 1.00 26.61 O +ATOM 226 CB TYR A 31 -2.308 48.046 12.361 1.00 25.12 C +ATOM 227 CG TYR A 31 -3.212 48.892 13.226 1.00 23.08 C +ATOM 228 CD1 TYR A 31 -4.287 49.571 12.673 1.00 19.20 C +ATOM 229 CD2 TYR A 31 -3.015 48.958 14.603 1.00 18.39 C +ATOM 230 CE1 TYR A 31 -5.114 50.341 13.448 1.00 19.06 C +ATOM 231 CE2 TYR A 31 -3.845 49.730 15.405 1.00 20.45 C +ATOM 232 CZ TYR A 31 -4.898 50.419 14.815 1.00 18.45 C +ATOM 233 OH TYR A 31 -5.738 51.188 15.591 1.00 21.38 O +ATOM 234 N GLU A 32 -2.333 45.871 10.016 1.00 27.55 N +ATOM 235 CA GLU A 32 -1.576 45.372 8.868 1.00 30.56 C +ATOM 236 C GLU A 32 -1.594 46.427 7.779 1.00 30.42 C +ATOM 237 O GLU A 32 -2.638 46.991 7.484 1.00 30.34 O +ATOM 238 CB GLU A 32 -2.173 44.050 8.322 1.00 31.34 C +ATOM 239 CG GLU A 32 -2.005 42.866 9.281 1.00 36.06 C +ATOM 240 CD GLU A 32 -2.344 41.526 8.649 1.00 43.47 C +ATOM 241 OE1 GLU A 32 -2.926 41.513 7.531 1.00 44.52 O +ATOM 242 OE2 GLU A 32 -2.042 40.483 9.294 1.00 47.61 O +ATOM 243 N ALA A 33 -0.434 46.703 7.200 1.00 31.88 N +ATOM 244 CA ALA A 33 -0.345 47.623 6.073 1.00 33.76 C +ATOM 245 C ALA A 33 -1.055 47.022 4.860 1.00 35.50 C +ATOM 246 O ALA A 33 -0.894 45.835 4.550 1.00 36.09 O +ATOM 247 CB ALA A 33 1.091 47.937 5.747 1.00 33.39 C +ATOM 248 N ASP A 34 -1.890 47.820 4.207 1.00 36.96 N +ATOM 249 CA ASP A 34 -2.438 47.426 2.914 1.00 38.49 C +ATOM 250 C ASP A 34 -1.577 48.087 1.835 1.00 39.63 C +ATOM 251 O ASP A 34 -1.554 49.309 1.686 1.00 38.98 O +ATOM 252 CB ASP A 34 -3.896 47.845 2.800 1.00 38.53 C +ATOM 253 CG ASP A 34 -4.540 47.355 1.528 1.00 39.38 C +ATOM 254 OD1 ASP A 34 -4.180 47.841 0.442 1.00 37.36 O +ATOM 255 OD2 ASP A 34 -5.405 46.469 1.619 1.00 42.57 O +ATOM 256 N LYS A 35 -0.810 47.282 1.120 1.00 41.54 N +ATOM 257 CA LYS A 35 0.108 47.856 0.134 1.00 44.05 C +ATOM 258 C LYS A 35 -0.633 48.369 -1.124 1.00 44.94 C +ATOM 259 O LYS A 35 -0.100 49.187 -1.886 1.00 45.87 O +ATOM 260 CB LYS A 35 1.242 46.868 -0.197 1.00 44.78 C +ATOM 261 CG LYS A 35 2.517 47.072 0.672 1.00 44.98 C +ATOM 262 CD LYS A 35 2.936 45.792 1.403 1.00 45.99 C +ATOM 263 CE LYS A 35 1.747 45.213 2.158 1.00 47.71 C +ATOM 264 NZ LYS A 35 2.070 44.230 3.257 1.00 48.24 N +ATOM 265 N ALA A 36 -1.873 47.914 -1.313 1.00 44.65 N +ATOM 266 CA ALA A 36 -2.707 48.405 -2.391 1.00 44.81 C +ATOM 267 C ALA A 36 -3.519 49.652 -2.006 1.00 44.91 C +ATOM 268 O ALA A 36 -4.046 50.317 -2.886 1.00 45.28 O +ATOM 269 CB ALA A 36 -3.656 47.309 -2.864 1.00 44.78 C +ATOM 270 N LEU A 37 -3.680 49.937 -0.708 1.00 43.77 N +ATOM 271 CA LEU A 37 -4.397 51.142 -0.298 1.00 42.57 C +ATOM 272 C LEU A 37 -3.404 52.197 0.145 1.00 41.06 C +ATOM 273 O LEU A 37 -3.735 53.383 0.193 1.00 41.20 O +ATOM 274 CB LEU A 37 -5.379 50.861 0.844 1.00 42.92 C +ATOM 275 CG LEU A 37 -6.450 49.797 0.612 1.00 43.81 C +ATOM 276 CD1 LEU A 37 -7.367 49.636 1.818 1.00 44.72 C +ATOM 277 CD2 LEU A 37 -7.258 50.154 -0.608 1.00 45.97 C +ATOM 278 N GLY A 38 -2.183 51.759 0.469 1.00 39.85 N +ATOM 279 CA GLY A 38 -1.176 52.617 1.131 1.00 37.63 C +ATOM 280 C GLY A 38 -1.501 53.016 2.583 1.00 36.28 C +ATOM 281 O GLY A 38 -1.003 54.034 3.081 1.00 36.55 O +ATOM 282 N LEU A 39 -2.339 52.234 3.265 1.00 33.68 N +ATOM 283 CA LEU A 39 -2.850 52.621 4.595 1.00 31.37 C +ATOM 284 C LEU A 39 -2.765 51.448 5.548 1.00 29.37 C +ATOM 285 O LEU A 39 -2.761 50.301 5.099 1.00 28.58 O +ATOM 286 CB LEU A 39 -4.311 53.094 4.516 1.00 30.92 C +ATOM 287 CG LEU A 39 -4.593 54.380 3.727 1.00 31.84 C +ATOM 288 CD1 LEU A 39 -6.088 54.592 3.563 1.00 31.37 C +ATOM 289 CD2 LEU A 39 -3.950 55.577 4.413 1.00 30.83 C +ATOM 290 N LEU A 40 -2.685 51.738 6.854 1.00 27.18 N +ATOM 291 CA LEU A 40 -2.802 50.690 7.873 1.00 26.07 C +ATOM 292 C LEU A 40 -4.260 50.295 8.039 1.00 24.63 C +ATOM 293 O LEU A 40 -5.140 51.150 8.125 1.00 23.26 O +ATOM 294 CB LEU A 40 -2.218 51.115 9.238 1.00 25.71 C +ATOM 295 CG LEU A 40 -0.687 51.351 9.263 1.00 25.93 C +ATOM 296 CD1 LEU A 40 -0.250 52.020 10.547 1.00 24.92 C +ATOM 297 CD2 LEU A 40 0.064 50.039 9.032 1.00 24.73 C +ATOM 298 N VAL A 41 -4.486 48.988 8.093 1.00 24.43 N +ATOM 299 CA VAL A 41 -5.822 48.433 8.262 1.00 25.12 C +ATOM 300 C VAL A 41 -5.926 47.622 9.556 1.00 25.36 C +ATOM 301 O VAL A 41 -4.999 46.846 9.885 1.00 24.93 O +ATOM 302 CB VAL A 41 -6.155 47.533 7.039 1.00 25.41 C +ATOM 303 CG1 VAL A 41 -7.438 46.711 7.244 1.00 26.79 C +ATOM 304 CG2 VAL A 41 -6.270 48.406 5.797 1.00 24.02 C +ATOM 305 N VAL A 42 -7.038 47.774 10.285 1.00 24.79 N +ATOM 306 CA VAL A 42 -7.232 46.981 11.515 1.00 25.06 C +ATOM 307 C VAL A 42 -7.535 45.513 11.174 1.00 25.94 C +ATOM 308 O VAL A 42 -8.638 45.197 10.731 1.00 26.93 O +ATOM 309 CB VAL A 42 -8.420 47.451 12.370 1.00 24.99 C +ATOM 310 CG1 VAL A 42 -8.436 46.718 13.688 1.00 24.48 C +ATOM 311 CG2 VAL A 42 -8.400 48.939 12.607 1.00 24.84 C +ATOM 312 N ASP A 43 -6.578 44.619 11.376 1.00 25.33 N +ATOM 313 CA ASP A 43 -6.825 43.221 11.140 1.00 26.20 C +ATOM 314 C ASP A 43 -7.737 42.626 12.210 1.00 25.70 C +ATOM 315 O ASP A 43 -8.787 42.081 11.879 1.00 25.64 O +ATOM 316 CB ASP A 43 -5.524 42.401 11.040 1.00 27.86 C +ATOM 317 CG ASP A 43 -5.814 40.952 10.725 1.00 30.64 C +ATOM 318 OD1 ASP A 43 -6.372 40.686 9.642 1.00 37.20 O +ATOM 319 OD2 ASP A 43 -5.576 40.084 11.564 1.00 33.64 O +ATOM 320 N ARG A 44 -7.345 42.729 13.482 1.00 23.76 N +ATOM 321 CA ARG A 44 -8.190 42.297 14.561 1.00 24.05 C +ATOM 322 C ARG A 44 -7.761 42.917 15.906 1.00 24.08 C +ATOM 323 O ARG A 44 -6.608 43.338 16.065 1.00 24.67 O +ATOM 324 CB ARG A 44 -8.171 40.764 14.678 1.00 24.30 C +ATOM 325 CG ARG A 44 -6.835 40.203 15.246 1.00 24.56 C +ATOM 326 CD ARG A 44 -6.770 38.712 15.056 1.00 28.25 C +ATOM 327 NE ARG A 44 -5.527 38.105 15.527 1.00 30.15 N +ATOM 328 CZ ARG A 44 -4.436 37.938 14.774 1.00 30.95 C +ATOM 329 NH1 ARG A 44 -4.413 38.364 13.500 1.00 29.56 N +ATOM 330 NH2 ARG A 44 -3.363 37.358 15.299 1.00 27.85 N +ATOM 331 N PHE A 45 -8.708 42.999 16.839 1.00 23.14 N +ATOM 332 CA PHE A 45 -8.408 43.175 18.265 1.00 23.01 C +ATOM 333 C PHE A 45 -7.891 41.854 18.809 1.00 23.22 C +ATOM 334 O PHE A 45 -8.571 40.821 18.730 1.00 22.43 O +ATOM 335 CB PHE A 45 -9.621 43.696 19.024 1.00 23.17 C +ATOM 336 CG PHE A 45 -9.904 45.174 18.756 1.00 23.12 C +ATOM 337 CD1 PHE A 45 -9.587 46.141 19.696 1.00 22.31 C +ATOM 338 CD2 PHE A 45 -10.456 45.591 17.546 1.00 22.00 C +ATOM 339 CE1 PHE A 45 -9.815 47.525 19.445 1.00 19.37 C +ATOM 340 CE2 PHE A 45 -10.689 46.946 17.299 1.00 24.14 C +ATOM 341 CZ PHE A 45 -10.363 47.920 18.257 1.00 20.26 C +ATOM 342 N ILE A 46 -6.653 41.870 19.303 1.00 22.58 N +ATOM 343 CA ILE A 46 -6.049 40.660 19.811 1.00 22.68 C +ATOM 344 C ILE A 46 -6.900 40.042 20.937 1.00 22.39 C +ATOM 345 O ILE A 46 -7.174 40.697 21.955 1.00 22.85 O +ATOM 346 CB ILE A 46 -4.573 40.901 20.294 1.00 22.60 C +ATOM 347 CG1 ILE A 46 -3.715 41.434 19.130 1.00 21.33 C +ATOM 348 CG2 ILE A 46 -4.021 39.618 20.954 1.00 19.70 C +ATOM 349 CD1 ILE A 46 -2.327 41.989 19.546 1.00 21.68 C +ATOM 350 N GLY A 47 -7.299 38.783 20.761 1.00 21.82 N +ATOM 351 CA GLY A 47 -8.248 38.135 21.701 1.00 20.72 C +ATOM 352 C GLY A 47 -7.794 38.069 23.156 1.00 20.43 C +ATOM 353 O GLY A 47 -8.593 38.229 24.093 1.00 19.67 O +ATOM 354 N THR A 48 -6.499 37.840 23.355 1.00 19.77 N +ATOM 355 CA THR A 48 -5.932 37.739 24.683 1.00 19.66 C +ATOM 356 C THR A 48 -5.613 39.106 25.314 1.00 20.30 C +ATOM 357 O THR A 48 -5.329 39.200 26.512 1.00 20.72 O +ATOM 358 CB THR A 48 -4.619 36.917 24.634 1.00 20.30 C +ATOM 359 OG1 THR A 48 -3.768 37.491 23.644 1.00 20.44 O +ATOM 360 CG2 THR A 48 -4.860 35.453 24.277 1.00 17.40 C +ATOM 361 N GLY A 49 -5.651 40.181 24.535 1.00 20.99 N +ATOM 362 CA GLY A 49 -5.269 41.493 25.078 1.00 20.69 C +ATOM 363 C GLY A 49 -3.758 41.638 25.240 1.00 20.94 C +ATOM 364 O GLY A 49 -3.299 42.624 25.806 1.00 21.56 O +ATOM 365 N MET A 50 -2.983 40.667 24.749 1.00 19.51 N +ATOM 366 CA MET A 50 -1.499 40.721 24.822 1.00 18.69 C +ATOM 367 C MET A 50 -0.883 41.715 23.837 1.00 18.94 C +ATOM 368 O MET A 50 -1.429 41.916 22.738 1.00 19.06 O +ATOM 369 CB MET A 50 -0.898 39.311 24.595 1.00 18.46 C +ATOM 370 CG MET A 50 -1.205 38.359 25.743 1.00 16.28 C +ATOM 371 SD MET A 50 -0.534 36.732 25.499 1.00 20.35 S +ATOM 372 CE MET A 50 1.161 36.996 26.020 1.00 15.70 C +ATOM 373 N ARG A 51 0.266 42.306 24.221 1.00 18.83 N +ATOM 374 CA ARG A 51 0.901 43.405 23.476 1.00 18.83 C +ATOM 375 C ARG A 51 2.255 42.953 22.927 1.00 19.23 C +ATOM 376 O ARG A 51 3.000 42.203 23.600 1.00 18.63 O +ATOM 377 CB ARG A 51 1.111 44.671 24.362 1.00 18.43 C +ATOM 378 CG ARG A 51 -0.162 45.289 24.984 1.00 17.94 C +ATOM 379 CD ARG A 51 0.141 46.584 25.739 1.00 17.07 C +ATOM 380 NE ARG A 51 -1.057 47.096 26.434 1.00 17.53 N +ATOM 381 CZ ARG A 51 -1.381 48.382 26.591 1.00 17.75 C +ATOM 382 NH1 ARG A 51 -0.616 49.350 26.093 1.00 15.93 N +ATOM 383 NH2 ARG A 51 -2.498 48.705 27.248 1.00 17.88 N +ATOM 384 N TYR A 52 2.587 43.425 21.724 1.00 18.81 N +ATOM 385 CA TYR A 52 3.925 43.167 21.179 1.00 20.17 C +ATOM 386 C TYR A 52 4.969 43.754 22.104 1.00 19.88 C +ATOM 387 O TYR A 52 4.909 44.924 22.419 1.00 19.46 O +ATOM 388 CB TYR A 52 4.063 43.715 19.744 1.00 19.61 C +ATOM 389 CG TYR A 52 3.327 42.878 18.720 1.00 21.97 C +ATOM 390 CD1 TYR A 52 4.031 42.070 17.818 1.00 22.85 C +ATOM 391 CD2 TYR A 52 1.918 42.863 18.667 1.00 21.92 C +ATOM 392 CE1 TYR A 52 3.370 41.301 16.883 1.00 21.48 C +ATOM 393 CE2 TYR A 52 1.241 42.079 17.734 1.00 22.65 C +ATOM 394 CZ TYR A 52 1.964 41.293 16.853 1.00 23.39 C +ATOM 395 OH TYR A 52 1.315 40.519 15.914 1.00 21.36 O +ATOM 396 N PRO A 53 5.919 42.920 22.572 1.00 21.29 N +ATOM 397 CA PRO A 53 7.017 43.398 23.428 1.00 21.87 C +ATOM 398 C PRO A 53 8.071 44.269 22.717 1.00 21.70 C +ATOM 399 O PRO A 53 8.819 44.986 23.394 1.00 21.93 O +ATOM 400 CB PRO A 53 7.642 42.106 23.998 1.00 21.72 C +ATOM 401 CG PRO A 53 7.174 40.998 23.100 1.00 22.80 C +ATOM 402 CD PRO A 53 5.885 41.443 22.446 1.00 22.07 C +ATOM 403 N VAL A 54 8.100 44.236 21.382 1.00 20.85 N +ATOM 404 CA VAL A 54 9.007 45.057 20.582 1.00 21.55 C +ATOM 405 C VAL A 54 8.232 45.490 19.356 1.00 20.83 C +ATOM 406 O VAL A 54 7.140 44.972 19.117 1.00 20.05 O +ATOM 407 CB VAL A 54 10.281 44.275 20.107 1.00 22.98 C +ATOM 408 CG1 VAL A 54 11.079 43.719 21.297 1.00 23.11 C +ATOM 409 CG2 VAL A 54 9.884 43.163 19.151 1.00 24.55 C +ATOM 410 N ASN A 55 8.770 46.452 18.602 1.00 19.90 N +ATOM 411 CA ASN A 55 8.127 46.907 17.367 1.00 21.21 C +ATOM 412 C ASN A 55 7.999 45.819 16.329 1.00 20.69 C +ATOM 413 O ASN A 55 8.869 44.984 16.187 1.00 21.68 O +ATOM 414 CB ASN A 55 8.838 48.129 16.748 1.00 20.69 C +ATOM 415 CG ASN A 55 9.109 49.224 17.771 1.00 20.45 C +ATOM 416 OD1 ASN A 55 8.221 50.008 18.123 1.00 17.26 O +ATOM 417 ND2 ASN A 55 10.351 49.292 18.238 1.00 18.77 N +ATOM 418 N TYR A 56 6.903 45.849 15.596 1.00 20.79 N +ATOM 419 CA TYR A 56 6.622 44.831 14.583 1.00 20.61 C +ATOM 420 C TYR A 56 6.243 45.465 13.238 1.00 20.45 C +ATOM 421 O TYR A 56 5.457 46.410 13.177 1.00 19.77 O +ATOM 422 CB TYR A 56 5.479 43.957 15.068 1.00 20.53 C +ATOM 423 CG TYR A 56 5.162 42.754 14.189 1.00 22.99 C +ATOM 424 CD1 TYR A 56 6.112 41.762 13.982 1.00 23.35 C +ATOM 425 CD2 TYR A 56 3.898 42.608 13.593 1.00 22.26 C +ATOM 426 CE1 TYR A 56 5.834 40.653 13.201 1.00 24.86 C +ATOM 427 CE2 TYR A 56 3.606 41.493 12.825 1.00 25.04 C +ATOM 428 CZ TYR A 56 4.585 40.513 12.637 1.00 26.22 C +ATOM 429 OH TYR A 56 4.338 39.402 11.853 1.00 26.67 O +ATOM 430 N GLY A 57 6.814 44.934 12.167 1.00 20.57 N +ATOM 431 CA GLY A 57 6.543 45.425 10.820 1.00 20.64 C +ATOM 432 C GLY A 57 7.020 44.440 9.773 1.00 20.42 C +ATOM 433 O GLY A 57 7.108 43.230 10.030 1.00 20.25 O +ATOM 434 N PHE A 58 7.317 44.956 8.590 1.00 21.49 N +ATOM 435 CA PHE A 58 7.723 44.098 7.462 1.00 22.42 C +ATOM 436 C PHE A 58 8.739 44.803 6.557 1.00 21.95 C +ATOM 437 O PHE A 58 8.846 46.035 6.548 1.00 21.27 O +ATOM 438 CB PHE A 58 6.473 43.668 6.628 1.00 22.41 C +ATOM 439 CG PHE A 58 5.792 44.818 5.923 1.00 25.13 C +ATOM 440 CD1 PHE A 58 6.084 45.105 4.587 1.00 25.77 C +ATOM 441 CD2 PHE A 58 4.881 45.626 6.598 1.00 22.93 C +ATOM 442 CE1 PHE A 58 5.476 46.166 3.936 1.00 24.40 C +ATOM 443 CE2 PHE A 58 4.289 46.717 5.972 1.00 23.86 C +ATOM 444 CZ PHE A 58 4.575 46.987 4.632 1.00 26.77 C +ATOM 445 N ILE A 59 9.456 44.013 5.766 1.00 22.61 N +ATOM 446 CA ILE A 59 10.300 44.571 4.683 1.00 23.33 C +ATOM 447 C ILE A 59 9.523 44.749 3.371 1.00 23.32 C +ATOM 448 O ILE A 59 9.003 43.779 2.827 1.00 24.29 O +ATOM 449 CB ILE A 59 11.557 43.690 4.429 1.00 22.84 C +ATOM 450 CG1 ILE A 59 12.281 43.398 5.748 1.00 22.43 C +ATOM 451 CG2 ILE A 59 12.476 44.360 3.354 1.00 22.00 C +ATOM 452 CD1 ILE A 59 13.474 42.443 5.622 1.00 19.09 C +ATOM 453 N PRO A 60 9.420 45.985 2.872 1.00 24.84 N +ATOM 454 CA PRO A 60 8.675 46.182 1.622 1.00 26.36 C +ATOM 455 C PRO A 60 9.384 45.522 0.421 1.00 27.39 C +ATOM 456 O PRO A 60 10.605 45.317 0.441 1.00 27.93 O +ATOM 457 CB PRO A 60 8.639 47.712 1.456 1.00 25.61 C +ATOM 458 CG PRO A 60 9.839 48.222 2.254 1.00 25.88 C +ATOM 459 CD PRO A 60 9.955 47.257 3.418 1.00 25.38 C +ATOM 460 N GLN A 61 8.609 45.181 -0.600 1.00 28.29 N +ATOM 461 CA GLN A 61 9.159 44.570 -1.809 1.00 29.22 C +ATOM 462 C GLN A 61 9.810 43.208 -1.540 1.00 29.01 C +ATOM 463 O GLN A 61 10.828 42.854 -2.136 1.00 28.95 O +ATOM 464 CB GLN A 61 10.069 45.568 -2.526 1.00 29.21 C +ATOM 465 CG GLN A 61 9.202 46.671 -3.102 1.00 34.78 C +ATOM 466 CD GLN A 61 9.957 47.810 -3.699 1.00 43.57 C +ATOM 467 OE1 GLN A 61 9.386 48.866 -3.940 1.00 47.87 O +ATOM 468 NE2 GLN A 61 11.245 47.619 -3.948 1.00 46.49 N +ATOM 469 N THR A 62 9.218 42.458 -0.616 1.00 28.00 N +ATOM 470 CA THR A 62 9.631 41.093 -0.365 1.00 28.25 C +ATOM 471 C THR A 62 8.383 40.230 -0.370 1.00 29.87 C +ATOM 472 O THR A 62 7.269 40.730 -0.203 1.00 29.15 O +ATOM 473 CB THR A 62 10.397 40.905 0.989 1.00 28.15 C +ATOM 474 OG1 THR A 62 9.545 41.234 2.104 1.00 27.37 O +ATOM 475 CG2 THR A 62 11.679 41.753 1.027 1.00 26.31 C +ATOM 476 N LEU A 63 8.566 38.932 -0.548 1.00 31.16 N +ATOM 477 CA LEU A 63 7.455 38.007 -0.575 1.00 33.88 C +ATOM 478 C LEU A 63 7.944 36.718 0.039 1.00 35.46 C +ATOM 479 O LEU A 63 8.786 36.019 -0.523 1.00 35.30 O +ATOM 480 CB LEU A 63 6.945 37.808 -2.016 1.00 33.87 C +ATOM 481 CG LEU A 63 5.795 36.841 -2.280 1.00 34.60 C +ATOM 482 CD1 LEU A 63 4.662 37.180 -1.363 1.00 36.93 C +ATOM 483 CD2 LEU A 63 5.340 36.969 -3.724 1.00 36.15 C +ATOM 484 N SER A 64 7.437 36.436 1.230 1.00 38.38 N +ATOM 485 CA SER A 64 7.886 35.307 2.023 1.00 41.11 C +ATOM 486 C SER A 64 7.191 34.036 1.577 1.00 43.10 C +ATOM 487 O SER A 64 6.349 34.064 0.671 1.00 42.92 O +ATOM 488 CB SER A 64 7.564 35.543 3.500 1.00 41.35 C +ATOM 489 OG SER A 64 8.363 34.696 4.315 1.00 42.71 O +ATOM 490 N GLY A 65 7.537 32.927 2.229 1.00 45.14 N +ATOM 491 CA GLY A 65 6.892 31.638 1.968 1.00 47.76 C +ATOM 492 C GLY A 65 5.362 31.636 2.005 1.00 49.24 C +ATOM 493 O GLY A 65 4.723 30.859 1.293 1.00 50.21 O +ATOM 494 N ASP A 66 4.753 32.482 2.832 1.00 50.27 N +ATOM 495 CA ASP A 66 3.284 32.510 2.911 1.00 50.78 C +ATOM 496 C ASP A 66 2.609 33.496 1.940 1.00 50.21 C +ATOM 497 O ASP A 66 1.385 33.600 1.897 1.00 50.77 O +ATOM 498 CB ASP A 66 2.820 32.798 4.342 1.00 51.29 C +ATOM 499 CG ASP A 66 3.509 34.005 4.947 1.00 54.17 C +ATOM 500 OD1 ASP A 66 3.722 35.014 4.219 1.00 55.27 O +ATOM 501 OD2 ASP A 66 3.843 33.936 6.161 1.00 57.76 O +ATOM 502 N GLY A 67 3.379 34.233 1.160 1.00 48.96 N +ATOM 503 CA GLY A 67 2.739 35.181 0.272 1.00 47.16 C +ATOM 504 C GLY A 67 2.604 36.550 0.903 1.00 45.61 C +ATOM 505 O GLY A 67 2.093 37.467 0.266 1.00 46.42 O +ATOM 506 N ASP A 68 3.068 36.690 2.147 1.00 44.01 N +ATOM 507 CA ASP A 68 3.176 37.990 2.828 1.00 41.68 C +ATOM 508 C ASP A 68 4.634 38.442 2.804 1.00 38.69 C +ATOM 509 O ASP A 68 5.530 37.609 2.702 1.00 38.18 O +ATOM 510 CB ASP A 68 2.772 37.862 4.299 1.00 43.06 C +ATOM 511 CG ASP A 68 1.260 37.693 4.501 1.00 47.11 C +ATOM 512 OD1 ASP A 68 0.458 38.106 3.618 1.00 50.50 O +ATOM 513 OD2 ASP A 68 0.885 37.144 5.569 1.00 51.66 O +ATOM 514 N PRO A 69 4.880 39.755 2.945 1.00 35.51 N +ATOM 515 CA PRO A 69 6.253 40.252 3.039 1.00 33.20 C +ATOM 516 C PRO A 69 7.007 39.648 4.217 1.00 31.00 C +ATOM 517 O PRO A 69 6.388 39.081 5.103 1.00 30.18 O +ATOM 518 CB PRO A 69 6.082 41.767 3.260 1.00 33.04 C +ATOM 519 CG PRO A 69 4.739 42.103 2.734 1.00 35.64 C +ATOM 520 CD PRO A 69 3.880 40.839 2.971 1.00 35.76 C +ATOM 521 N VAL A 70 8.336 39.778 4.232 1.00 29.44 N +ATOM 522 CA VAL A 70 9.151 39.250 5.348 1.00 27.95 C +ATOM 523 C VAL A 70 8.837 40.047 6.625 1.00 26.77 C +ATOM 524 O VAL A 70 8.915 41.270 6.619 1.00 26.46 O +ATOM 525 CB VAL A 70 10.703 39.275 5.026 1.00 27.88 C +ATOM 526 CG1 VAL A 70 11.514 38.958 6.258 1.00 27.39 C +ATOM 527 CG2 VAL A 70 11.056 38.280 3.898 1.00 27.44 C +ATOM 528 N ASP A 71 8.452 39.351 7.693 1.00 26.51 N +ATOM 529 CA ASP A 71 8.153 39.968 9.014 1.00 26.25 C +ATOM 530 C ASP A 71 9.381 40.260 9.866 1.00 25.56 C +ATOM 531 O ASP A 71 10.322 39.450 9.926 1.00 25.69 O +ATOM 532 CB ASP A 71 7.284 39.034 9.838 1.00 26.37 C +ATOM 533 CG ASP A 71 5.942 38.790 9.227 1.00 28.24 C +ATOM 534 OD1 ASP A 71 5.331 39.745 8.677 1.00 30.97 O +ATOM 535 OD2 ASP A 71 5.496 37.624 9.306 1.00 28.38 O +ATOM 536 N VAL A 72 9.362 41.410 10.542 1.00 24.69 N +ATOM 537 CA VAL A 72 10.480 41.870 11.382 1.00 22.19 C +ATOM 538 C VAL A 72 10.034 42.475 12.735 1.00 22.12 C +ATOM 539 O VAL A 72 9.148 43.330 12.811 1.00 21.39 O +ATOM 540 CB VAL A 72 11.395 42.879 10.629 1.00 22.97 C +ATOM 541 CG1 VAL A 72 12.704 43.137 11.390 1.00 20.10 C +ATOM 542 CG2 VAL A 72 11.667 42.402 9.171 1.00 21.68 C +ATOM 543 N LEU A 73 10.666 41.984 13.798 1.00 21.86 N +ATOM 544 CA LEU A 73 10.673 42.593 15.127 1.00 21.24 C +ATOM 545 C LEU A 73 11.900 43.511 15.274 1.00 21.59 C +ATOM 546 O LEU A 73 13.030 43.037 15.180 1.00 22.50 O +ATOM 547 CB LEU A 73 10.739 41.468 16.172 1.00 21.37 C +ATOM 548 CG LEU A 73 9.561 40.490 16.014 1.00 21.82 C +ATOM 549 CD1 LEU A 73 9.902 39.045 16.446 1.00 23.52 C +ATOM 550 CD2 LEU A 73 8.331 41.011 16.770 1.00 20.84 C +ATOM 551 N VAL A 74 11.681 44.815 15.494 1.00 20.95 N +ATOM 552 CA VAL A 74 12.752 45.796 15.684 1.00 19.54 C +ATOM 553 C VAL A 74 12.771 46.277 17.140 1.00 20.67 C +ATOM 554 O VAL A 74 11.768 46.843 17.646 1.00 19.81 O +ATOM 555 CB VAL A 74 12.558 47.027 14.796 1.00 19.11 C +ATOM 556 CG1 VAL A 74 13.790 47.916 14.808 1.00 16.39 C +ATOM 557 CG2 VAL A 74 12.228 46.592 13.359 1.00 19.06 C +ATOM 558 N ILE A 75 13.897 46.030 17.812 1.00 20.76 N +ATOM 559 CA ILE A 75 14.131 46.466 19.213 1.00 21.77 C +ATOM 560 C ILE A 75 14.639 47.928 19.210 1.00 22.17 C +ATOM 561 O ILE A 75 15.604 48.245 18.487 1.00 22.78 O +ATOM 562 CB ILE A 75 15.171 45.535 19.898 1.00 21.89 C +ATOM 563 CG1 ILE A 75 14.703 44.087 19.786 1.00 21.31 C +ATOM 564 CG2 ILE A 75 15.461 45.946 21.348 1.00 21.98 C +ATOM 565 CD1 ILE A 75 15.763 43.077 20.206 1.00 21.97 C +ATOM 566 N THR A 76 13.967 48.806 19.964 1.00 21.05 N +ATOM 567 CA THR A 76 14.385 50.220 20.093 1.00 20.95 C +ATOM 568 C THR A 76 14.241 50.718 21.543 1.00 20.55 C +ATOM 569 O THR A 76 13.450 50.161 22.299 1.00 19.88 O +ATOM 570 CB THR A 76 13.551 51.151 19.153 1.00 20.86 C +ATOM 571 OG1 THR A 76 12.167 51.040 19.496 1.00 19.99 O +ATOM 572 CG2 THR A 76 13.745 50.762 17.658 1.00 18.48 C +ATOM 573 N PRO A 77 14.992 51.770 21.934 1.00 20.91 N +ATOM 574 CA PRO A 77 14.763 52.260 23.309 1.00 21.70 C +ATOM 575 C PRO A 77 13.382 52.961 23.583 1.00 21.66 C +ATOM 576 O PRO A 77 12.953 53.016 24.743 1.00 21.57 O +ATOM 577 CB PRO A 77 15.953 53.209 23.563 1.00 21.31 C +ATOM 578 CG PRO A 77 16.481 53.561 22.213 1.00 21.76 C +ATOM 579 CD PRO A 77 16.165 52.408 21.295 1.00 20.66 C +ATOM 580 N PHE A 78 12.709 53.456 22.545 1.00 20.64 N +ATOM 581 CA PHE A 78 11.360 54.051 22.662 1.00 21.02 C +ATOM 582 C PHE A 78 10.529 53.502 21.508 1.00 20.26 C +ATOM 583 O PHE A 78 11.074 53.303 20.404 1.00 20.09 O +ATOM 584 CB PHE A 78 11.409 55.603 22.539 1.00 20.99 C +ATOM 585 CG PHE A 78 12.129 56.296 23.695 1.00 22.97 C +ATOM 586 CD1 PHE A 78 11.482 56.496 24.931 1.00 22.93 C +ATOM 587 CD2 PHE A 78 13.446 56.731 23.549 1.00 20.66 C +ATOM 588 CE1 PHE A 78 12.148 57.089 25.992 1.00 23.48 C +ATOM 589 CE2 PHE A 78 14.113 57.329 24.597 1.00 21.65 C +ATOM 590 CZ PHE A 78 13.472 57.507 25.823 1.00 23.50 C +ATOM 591 N PRO A 79 9.201 53.295 21.718 1.00 20.67 N +ATOM 592 CA PRO A 79 8.431 52.730 20.586 1.00 19.72 C +ATOM 593 C PRO A 79 8.502 53.606 19.329 1.00 19.61 C +ATOM 594 O PRO A 79 8.687 54.817 19.437 1.00 18.61 O +ATOM 595 CB PRO A 79 6.993 52.618 21.137 1.00 20.21 C +ATOM 596 CG PRO A 79 7.184 52.577 22.674 1.00 21.91 C +ATOM 597 CD PRO A 79 8.355 53.522 22.918 1.00 19.80 C +ATOM 598 N LEU A 80 8.406 52.986 18.147 1.00 19.41 N +ATOM 599 CA LEU A 80 8.376 53.710 16.869 1.00 19.62 C +ATOM 600 C LEU A 80 6.920 53.965 16.446 1.00 20.50 C +ATOM 601 O LEU A 80 5.997 53.210 16.777 1.00 19.42 O +ATOM 602 CB LEU A 80 9.054 52.878 15.740 1.00 19.52 C +ATOM 603 CG LEU A 80 10.550 52.569 15.948 1.00 19.77 C +ATOM 604 CD1 LEU A 80 11.033 51.619 14.875 1.00 18.38 C +ATOM 605 CD2 LEU A 80 11.365 53.875 15.950 1.00 18.69 C +ATOM 606 N LEU A 81 6.753 55.018 15.663 1.00 21.45 N +ATOM 607 CA LEU A 81 5.481 55.415 15.076 1.00 21.99 C +ATOM 608 C LEU A 81 4.960 54.399 14.062 1.00 21.60 C +ATOM 609 O LEU A 81 5.681 54.045 13.128 1.00 21.18 O +ATOM 610 CB LEU A 81 5.765 56.717 14.338 1.00 22.29 C +ATOM 611 CG LEU A 81 4.838 57.896 14.175 1.00 28.01 C +ATOM 612 CD1 LEU A 81 3.889 58.076 15.398 1.00 30.54 C +ATOM 613 CD2 LEU A 81 5.729 59.117 13.976 1.00 30.14 C +ATOM 614 N ALA A 82 3.701 53.961 14.200 1.00 20.50 N +ATOM 615 CA ALA A 82 3.095 53.083 13.205 1.00 20.23 C +ATOM 616 C ALA A 82 3.032 53.805 11.851 1.00 20.71 C +ATOM 617 O ALA A 82 2.606 54.969 11.775 1.00 19.92 O +ATOM 618 CB ALA A 82 1.685 52.621 13.648 1.00 19.13 C +ATOM 619 N GLY A 83 3.473 53.115 10.797 1.00 21.09 N +ATOM 620 CA GLY A 83 3.454 53.652 9.450 1.00 21.60 C +ATOM 621 C GLY A 83 4.756 54.354 9.070 1.00 22.41 C +ATOM 622 O GLY A 83 4.908 54.785 7.922 1.00 22.78 O +ATOM 623 N SER A 84 5.675 54.500 10.026 1.00 21.49 N +ATOM 624 CA SER A 84 7.003 55.049 9.743 1.00 22.62 C +ATOM 625 C SER A 84 7.955 53.963 9.176 1.00 23.06 C +ATOM 626 O SER A 84 7.665 52.766 9.271 1.00 23.25 O +ATOM 627 CB SER A 84 7.612 55.745 10.986 1.00 21.55 C +ATOM 628 OG SER A 84 7.949 54.826 12.039 1.00 21.85 O +ATOM 629 N VAL A 85 9.091 54.414 8.626 1.00 23.53 N +ATOM 630 CA VAL A 85 10.136 53.570 8.060 1.00 22.93 C +ATOM 631 C VAL A 85 11.427 53.725 8.856 1.00 22.89 C +ATOM 632 O VAL A 85 11.826 54.860 9.204 1.00 23.40 O +ATOM 633 CB VAL A 85 10.436 53.956 6.572 1.00 23.72 C +ATOM 634 CG1 VAL A 85 11.236 52.843 5.886 1.00 23.82 C +ATOM 635 CG2 VAL A 85 9.154 54.114 5.810 1.00 23.40 C +ATOM 636 N VAL A 86 12.073 52.594 9.143 1.00 21.59 N +ATOM 637 CA VAL A 86 13.346 52.564 9.868 1.00 21.61 C +ATOM 638 C VAL A 86 14.397 51.698 9.102 1.00 22.02 C +ATOM 639 O VAL A 86 14.128 50.570 8.703 1.00 21.87 O +ATOM 640 CB VAL A 86 13.192 52.095 11.360 1.00 21.44 C +ATOM 641 CG1 VAL A 86 12.660 50.635 11.465 1.00 20.11 C +ATOM 642 CG2 VAL A 86 14.521 52.237 12.127 1.00 19.16 C +ATOM 643 N ARG A 87 15.561 52.278 8.859 1.00 21.94 N +ATOM 644 CA ARG A 87 16.701 51.555 8.303 1.00 22.74 C +ATOM 645 C ARG A 87 17.227 50.629 9.390 1.00 22.19 C +ATOM 646 O ARG A 87 17.477 51.113 10.489 1.00 22.02 O +ATOM 647 CB ARG A 87 17.783 52.582 7.935 1.00 23.60 C +ATOM 648 CG ARG A 87 18.974 51.991 7.197 1.00 23.36 C +ATOM 649 CD ARG A 87 19.981 53.075 6.916 1.00 25.35 C +ATOM 650 NE ARG A 87 21.014 52.623 5.994 1.00 26.55 N +ATOM 651 CZ ARG A 87 22.042 53.356 5.581 1.00 30.00 C +ATOM 652 NH1 ARG A 87 22.199 54.589 6.009 1.00 30.00 N +ATOM 653 NH2 ARG A 87 22.922 52.846 4.730 1.00 29.59 N +ATOM 654 N ALA A 88 17.362 49.318 9.097 1.00 21.61 N +ATOM 655 CA ALA A 88 17.679 48.293 10.097 1.00 20.95 C +ATOM 656 C ALA A 88 18.751 47.274 9.647 1.00 21.61 C +ATOM 657 O ALA A 88 19.144 47.220 8.463 1.00 21.00 O +ATOM 658 CB ALA A 88 16.418 47.553 10.513 1.00 21.45 C +ATOM 659 N ARG A 89 19.239 46.501 10.616 1.00 21.20 N +ATOM 660 CA ARG A 89 20.154 45.376 10.373 1.00 21.57 C +ATOM 661 C ARG A 89 19.695 44.194 11.214 1.00 21.96 C +ATOM 662 O ARG A 89 19.012 44.373 12.257 1.00 21.50 O +ATOM 663 CB ARG A 89 21.613 45.764 10.731 1.00 20.98 C +ATOM 664 CG ARG A 89 21.869 45.980 12.223 1.00 19.77 C +ATOM 665 CD ARG A 89 23.319 46.440 12.496 1.00 21.57 C +ATOM 666 NE ARG A 89 23.500 46.936 13.863 1.00 20.57 N +ATOM 667 CZ ARG A 89 23.630 46.151 14.929 1.00 21.84 C +ATOM 668 NH1 ARG A 89 23.633 44.840 14.798 1.00 19.04 N +ATOM 669 NH2 ARG A 89 23.774 46.671 16.132 1.00 24.53 N +ATOM 670 N ALA A 90 20.093 42.985 10.816 1.00 22.44 N +ATOM 671 CA ALA A 90 19.509 41.774 11.382 1.00 23.02 C +ATOM 672 C ALA A 90 20.309 41.265 12.545 1.00 23.69 C +ATOM 673 O ALA A 90 21.524 41.444 12.591 1.00 24.80 O +ATOM 674 CB ALA A 90 19.382 40.685 10.333 1.00 23.51 C +ATOM 675 N LEU A 91 19.625 40.629 13.495 1.00 24.22 N +ATOM 676 CA LEU A 91 20.296 39.970 14.629 1.00 24.39 C +ATOM 677 C LEU A 91 20.118 38.460 14.517 1.00 24.55 C +ATOM 678 O LEU A 91 20.957 37.687 15.007 1.00 25.20 O +ATOM 679 CB LEU A 91 19.727 40.438 15.986 1.00 23.48 C +ATOM 680 CG LEU A 91 19.877 41.904 16.414 1.00 22.92 C +ATOM 681 CD1 LEU A 91 19.353 42.033 17.849 1.00 22.77 C +ATOM 682 CD2 LEU A 91 21.316 42.376 16.328 1.00 23.57 C +ATOM 683 N GLY A 92 19.021 38.032 13.890 1.00 25.11 N +ATOM 684 CA GLY A 92 18.676 36.607 13.886 1.00 24.76 C +ATOM 685 C GLY A 92 17.206 36.405 13.589 1.00 25.72 C +ATOM 686 O GLY A 92 16.566 37.253 12.962 1.00 24.40 O +ATOM 687 N MET A 93 16.646 35.283 14.026 1.00 26.58 N +ATOM 688 CA MET A 93 15.233 35.027 13.722 1.00 28.72 C +ATOM 689 C MET A 93 14.593 34.024 14.653 1.00 28.92 C +ATOM 690 O MET A 93 15.277 33.173 15.231 1.00 29.48 O +ATOM 691 CB MET A 93 15.019 34.623 12.238 1.00 29.18 C +ATOM 692 CG MET A 93 15.660 33.304 11.809 1.00 33.11 C +ATOM 693 SD MET A 93 15.636 33.076 9.990 1.00 40.50 S +ATOM 694 CE MET A 93 13.962 32.560 9.708 1.00 37.67 C +ATOM 695 N LEU A 94 13.278 34.144 14.810 1.00 29.01 N +ATOM 696 CA LEU A 94 12.506 33.156 15.553 1.00 30.00 C +ATOM 697 C LEU A 94 11.801 32.247 14.556 1.00 30.90 C +ATOM 698 O LEU A 94 11.070 32.735 13.699 1.00 30.26 O +ATOM 699 CB LEU A 94 11.484 33.838 16.460 1.00 29.19 C +ATOM 700 CG LEU A 94 10.751 32.998 17.514 1.00 30.25 C +ATOM 701 CD1 LEU A 94 11.717 32.305 18.452 1.00 29.45 C +ATOM 702 CD2 LEU A 94 9.800 33.894 18.320 1.00 28.35 C +ATOM 703 N LYS A 95 12.034 30.934 14.648 1.00 32.44 N +ATOM 704 CA LYS A 95 11.368 29.980 13.755 1.00 34.21 C +ATOM 705 C LYS A 95 10.137 29.384 14.420 1.00 34.50 C +ATOM 706 O LYS A 95 10.183 28.971 15.569 1.00 33.94 O +ATOM 707 CB LYS A 95 12.338 28.865 13.332 1.00 35.22 C +ATOM 708 CG LYS A 95 13.401 29.320 12.297 1.00 38.73 C +ATOM 709 CD LYS A 95 14.737 28.595 12.495 1.00 44.84 C +ATOM 710 CE LYS A 95 14.583 27.069 12.322 1.00 48.49 C +ATOM 711 NZ LYS A 95 15.502 26.237 13.209 1.00 50.26 N +ATOM 712 N MET A 96 9.029 29.351 13.698 1.00 35.87 N +ATOM 713 CA MET A 96 7.770 28.871 14.259 1.00 37.62 C +ATOM 714 C MET A 96 6.990 28.206 13.144 1.00 38.88 C +ATOM 715 O MET A 96 7.303 28.406 11.969 1.00 38.99 O +ATOM 716 CB MET A 96 6.915 30.046 14.783 1.00 36.87 C +ATOM 717 CG MET A 96 7.445 30.766 16.014 1.00 36.05 C +ATOM 718 SD MET A 96 6.661 32.397 16.227 1.00 32.47 S +ATOM 719 CE MET A 96 7.289 33.359 14.839 1.00 33.43 C +ATOM 720 N THR A 97 5.953 27.458 13.519 1.00 40.89 N +ATOM 721 CA THR A 97 4.894 27.078 12.584 1.00 43.05 C +ATOM 722 C THR A 97 3.560 27.461 13.229 1.00 43.77 C +ATOM 723 O THR A 97 3.380 27.280 14.438 1.00 44.35 O +ATOM 724 CB THR A 97 4.920 25.547 12.208 1.00 43.28 C +ATOM 725 OG1 THR A 97 5.127 24.765 13.384 1.00 45.70 O +ATOM 726 CG2 THR A 97 6.061 25.231 11.257 1.00 43.69 C +ATOM 727 N ASP A 98 2.644 28.028 12.446 1.00 44.41 N +ATOM 728 CA ASP A 98 1.321 28.342 12.967 1.00 45.30 C +ATOM 729 C ASP A 98 0.228 27.653 12.151 1.00 46.22 C +ATOM 730 O ASP A 98 0.517 26.775 11.331 1.00 46.61 O +ATOM 731 CB ASP A 98 1.088 29.858 13.021 1.00 45.20 C +ATOM 732 CG ASP A 98 0.949 30.472 11.652 1.00 45.80 C +ATOM 733 OD1 ASP A 98 1.027 29.722 10.662 1.00 45.37 O +ATOM 734 OD2 ASP A 98 0.764 31.704 11.562 1.00 44.84 O +ATOM 735 N GLU A 99 -1.028 28.042 12.377 1.00 46.47 N +ATOM 736 CA GLU A 99 -2.141 27.402 11.687 1.00 46.80 C +ATOM 737 C GLU A 99 -2.006 27.467 10.147 1.00 47.27 C +ATOM 738 O GLU A 99 -2.538 26.623 9.442 1.00 47.92 O +ATOM 739 CB GLU A 99 -3.483 27.973 12.161 1.00 45.98 C +ATOM 740 CG GLU A 99 -3.807 29.333 11.593 1.00 44.99 C +ATOM 741 CD GLU A 99 -3.196 30.497 12.389 1.00 42.89 C +ATOM 742 OE1 GLU A 99 -3.428 31.661 11.987 1.00 42.58 O +ATOM 743 OE2 GLU A 99 -2.503 30.248 13.405 1.00 41.44 O +ATOM 744 N SER A 100 -1.279 28.448 9.624 1.00 47.51 N +ATOM 745 CA SER A 100 -1.091 28.565 8.177 1.00 47.27 C +ATOM 746 C SER A 100 0.262 28.046 7.694 1.00 47.08 C +ATOM 747 O SER A 100 0.694 28.388 6.592 1.00 47.42 O +ATOM 748 CB SER A 100 -1.245 30.025 7.730 1.00 47.15 C +ATOM 749 OG SER A 100 -2.525 30.535 8.068 1.00 48.79 O +ATOM 750 N GLY A 101 0.939 27.237 8.507 1.00 46.73 N +ATOM 751 CA GLY A 101 2.222 26.653 8.110 1.00 45.72 C +ATOM 752 C GLY A 101 3.430 27.411 8.650 1.00 45.34 C +ATOM 753 O GLY A 101 3.320 28.159 9.633 1.00 45.08 O +ATOM 754 N VAL A 102 4.585 27.222 8.008 1.00 44.18 N +ATOM 755 CA VAL A 102 5.851 27.802 8.476 1.00 43.13 C +ATOM 756 C VAL A 102 5.795 29.319 8.668 1.00 42.11 C +ATOM 757 O VAL A 102 5.204 30.039 7.858 1.00 41.60 O +ATOM 758 CB VAL A 102 7.015 27.444 7.524 1.00 43.66 C +ATOM 759 CG1 VAL A 102 8.164 28.428 7.684 1.00 43.30 C +ATOM 760 CG2 VAL A 102 7.488 25.988 7.764 1.00 43.78 C +ATOM 761 N ASP A 103 6.415 29.804 9.744 1.00 41.05 N +ATOM 762 CA ASP A 103 6.375 31.242 10.062 1.00 39.44 C +ATOM 763 C ASP A 103 7.649 31.697 10.761 1.00 37.83 C +ATOM 764 O ASP A 103 7.784 31.562 11.973 1.00 38.58 O +ATOM 765 CB ASP A 103 5.182 31.541 10.962 1.00 39.54 C +ATOM 766 CG ASP A 103 4.926 33.029 11.126 1.00 40.16 C +ATOM 767 OD1 ASP A 103 5.544 33.843 10.396 1.00 42.27 O +ATOM 768 OD2 ASP A 103 4.081 33.379 11.977 1.00 38.14 O +ATOM 769 N ALA A 104 8.591 32.226 9.995 1.00 35.52 N +ATOM 770 CA ALA A 104 9.799 32.789 10.562 1.00 32.80 C +ATOM 771 C ALA A 104 9.611 34.300 10.727 1.00 30.91 C +ATOM 772 O ALA A 104 9.037 34.959 9.857 1.00 30.17 O +ATOM 773 CB ALA A 104 10.955 32.514 9.651 1.00 33.11 C +ATOM 774 N LYS A 105 10.079 34.838 11.847 1.00 29.57 N +ATOM 775 CA LYS A 105 10.147 36.293 12.036 1.00 28.05 C +ATOM 776 C LYS A 105 11.562 36.720 12.391 1.00 27.06 C +ATOM 777 O LYS A 105 12.174 36.150 13.289 1.00 27.14 O +ATOM 778 CB LYS A 105 9.142 36.750 13.090 1.00 27.30 C +ATOM 779 CG LYS A 105 7.712 36.235 12.749 1.00 27.03 C +ATOM 780 CD LYS A 105 6.645 37.016 13.447 1.00 26.83 C +ATOM 781 CE LYS A 105 5.287 36.300 13.367 1.00 24.94 C +ATOM 782 NZ LYS A 105 4.698 36.387 11.996 1.00 23.03 N +ATOM 783 N LEU A 106 12.058 37.734 11.691 1.00 25.68 N +ATOM 784 CA LEU A 106 13.374 38.275 11.962 1.00 25.87 C +ATOM 785 C LEU A 106 13.354 39.143 13.222 1.00 25.22 C +ATOM 786 O LEU A 106 12.314 39.719 13.598 1.00 24.89 O +ATOM 787 CB LEU A 106 13.857 39.118 10.784 1.00 25.38 C +ATOM 788 CG LEU A 106 14.443 38.394 9.564 1.00 27.94 C +ATOM 789 CD1 LEU A 106 13.727 37.094 9.184 1.00 27.95 C +ATOM 790 CD2 LEU A 106 14.567 39.332 8.388 1.00 26.61 C +ATOM 791 N VAL A 107 14.523 39.257 13.838 1.00 23.51 N +ATOM 792 CA VAL A 107 14.716 40.131 14.964 1.00 22.73 C +ATOM 793 C VAL A 107 15.811 41.090 14.512 1.00 22.68 C +ATOM 794 O VAL A 107 16.854 40.661 14.003 1.00 22.46 O +ATOM 795 CB VAL A 107 15.080 39.338 16.238 1.00 22.27 C +ATOM 796 CG1 VAL A 107 15.343 40.270 17.373 1.00 22.46 C +ATOM 797 CG2 VAL A 107 13.939 38.318 16.594 1.00 23.92 C +ATOM 798 N ALA A 108 15.553 42.392 14.645 1.00 21.45 N +ATOM 799 CA ALA A 108 16.439 43.391 14.095 1.00 20.74 C +ATOM 800 C ALA A 108 16.607 44.559 15.068 1.00 21.23 C +ATOM 801 O ALA A 108 15.871 44.634 16.070 1.00 21.11 O +ATOM 802 CB ALA A 108 15.903 43.883 12.721 1.00 19.22 C +ATOM 803 N VAL A 109 17.600 45.423 14.790 1.00 20.09 N +ATOM 804 CA VAL A 109 17.739 46.729 15.426 1.00 21.46 C +ATOM 805 C VAL A 109 17.973 47.762 14.319 1.00 21.87 C +ATOM 806 O VAL A 109 18.314 47.381 13.202 1.00 21.72 O +ATOM 807 CB VAL A 109 18.928 46.784 16.409 1.00 20.91 C +ATOM 808 CG1 VAL A 109 18.614 46.011 17.652 1.00 20.05 C +ATOM 809 CG2 VAL A 109 20.208 46.218 15.733 1.00 22.26 C +ATOM 810 N PRO A 110 17.804 49.068 14.626 1.00 22.19 N +ATOM 811 CA PRO A 110 18.094 50.056 13.594 1.00 22.34 C +ATOM 812 C PRO A 110 19.597 50.067 13.216 1.00 23.74 C +ATOM 813 O PRO A 110 20.435 49.546 13.963 1.00 23.41 O +ATOM 814 CB PRO A 110 17.717 51.405 14.280 1.00 22.83 C +ATOM 815 CG PRO A 110 16.791 51.058 15.399 1.00 21.11 C +ATOM 816 CD PRO A 110 17.289 49.695 15.870 1.00 21.07 C +ATOM 817 N HIS A 111 19.905 50.663 12.062 1.00 24.43 N +ATOM 818 CA HIS A 111 21.269 51.039 11.680 1.00 25.10 C +ATOM 819 C HIS A 111 21.948 51.765 12.839 1.00 25.61 C +ATOM 820 O HIS A 111 21.322 52.588 13.518 1.00 26.10 O +ATOM 821 CB HIS A 111 21.182 51.975 10.450 1.00 24.91 C +ATOM 822 CG HIS A 111 22.509 52.407 9.893 1.00 26.79 C +ATOM 823 ND1 HIS A 111 23.070 51.820 8.770 1.00 29.91 N +ATOM 824 CD2 HIS A 111 23.393 53.348 10.305 1.00 23.68 C +ATOM 825 CE1 HIS A 111 24.235 52.393 8.514 1.00 26.42 C +ATOM 826 NE2 HIS A 111 24.442 53.336 9.416 1.00 26.73 N +ATOM 827 N ASP A 112 23.234 51.504 13.051 1.00 25.54 N +ATOM 828 CA ASP A 112 23.979 52.129 14.147 1.00 25.57 C +ATOM 829 C ASP A 112 23.942 53.667 14.222 1.00 25.64 C +ATOM 830 O ASP A 112 24.009 54.219 15.303 1.00 25.60 O +ATOM 831 CB ASP A 112 25.433 51.655 14.148 1.00 26.15 C +ATOM 832 CG ASP A 112 25.577 50.191 14.586 1.00 25.67 C +ATOM 833 OD1 ASP A 112 24.592 49.558 15.018 1.00 29.82 O +ATOM 834 OD2 ASP A 112 26.687 49.675 14.528 1.00 26.95 O +ATOM 835 N LYS A 113 23.866 54.355 13.095 1.00 25.60 N +ATOM 836 CA LYS A 113 23.786 55.819 13.100 1.00 26.31 C +ATOM 837 C LYS A 113 22.358 56.299 13.405 1.00 26.01 C +ATOM 838 O LYS A 113 22.150 57.398 13.891 1.00 27.30 O +ATOM 839 CB LYS A 113 24.288 56.390 11.768 1.00 26.96 C +ATOM 840 N VAL A 114 21.370 55.453 13.158 1.00 25.69 N +ATOM 841 CA VAL A 114 19.998 55.764 13.562 1.00 24.61 C +ATOM 842 C VAL A 114 19.806 55.525 15.065 1.00 25.10 C +ATOM 843 O VAL A 114 19.249 56.379 15.773 1.00 24.38 O +ATOM 844 CB VAL A 114 19.001 54.950 12.751 1.00 25.32 C +ATOM 845 CG1 VAL A 114 17.528 55.198 13.246 1.00 23.89 C +ATOM 846 CG2 VAL A 114 19.202 55.234 11.260 1.00 22.62 C +ATOM 847 N CYS A 115 20.318 54.395 15.563 1.00 24.30 N +ATOM 848 CA CYS A 115 20.191 54.054 16.978 1.00 24.45 C +ATOM 849 C CYS A 115 21.523 53.611 17.614 1.00 25.28 C +ATOM 850 O CYS A 115 21.821 52.409 17.705 1.00 25.35 O +ATOM 851 CB CYS A 115 19.111 52.977 17.168 1.00 24.20 C +ATOM 852 SG CYS A 115 18.644 52.733 18.908 1.00 23.28 S +ATOM 853 N PRO A 116 22.343 54.583 18.036 1.00 25.64 N +ATOM 854 CA PRO A 116 23.601 54.246 18.715 1.00 25.83 C +ATOM 855 C PRO A 116 23.382 53.386 19.946 1.00 26.76 C +ATOM 856 O PRO A 116 24.274 52.606 20.303 1.00 27.28 O +ATOM 857 CB PRO A 116 24.150 55.613 19.142 1.00 25.73 C +ATOM 858 CG PRO A 116 23.576 56.573 18.005 1.00 26.37 C +ATOM 859 CD PRO A 116 22.177 56.038 17.826 1.00 24.59 C +ATOM 860 N MET A 117 22.213 53.510 20.569 1.00 25.92 N +ATOM 861 CA MET A 117 21.880 52.798 21.806 1.00 25.99 C +ATOM 862 C MET A 117 21.872 51.286 21.630 1.00 26.46 C +ATOM 863 O MET A 117 22.001 50.553 22.613 1.00 25.60 O +ATOM 864 CB MET A 117 20.492 53.211 22.307 1.00 25.61 C +ATOM 865 CG MET A 117 20.329 54.735 22.551 1.00 25.77 C +ATOM 866 SD MET A 117 19.862 55.666 21.073 1.00 23.51 S +ATOM 867 CE MET A 117 20.351 57.314 21.549 1.00 23.67 C +ATOM 868 N THR A 118 21.643 50.816 20.396 1.00 26.44 N +ATOM 869 CA THR A 118 21.572 49.368 20.159 1.00 26.45 C +ATOM 870 C THR A 118 22.833 48.825 19.435 1.00 26.58 C +ATOM 871 O THR A 118 22.882 47.643 19.071 1.00 25.87 O +ATOM 872 CB THR A 118 20.255 48.931 19.388 1.00 26.23 C +ATOM 873 OG1 THR A 118 20.061 49.752 18.255 1.00 25.67 O +ATOM 874 CG2 THR A 118 18.975 49.004 20.277 1.00 24.93 C +ATOM 875 N ALA A 119 23.848 49.673 19.264 1.00 26.81 N +ATOM 876 CA ALA A 119 25.069 49.285 18.509 1.00 27.89 C +ATOM 877 C ALA A 119 25.785 48.057 19.057 1.00 28.60 C +ATOM 878 O ALA A 119 26.365 47.295 18.299 1.00 28.79 O +ATOM 879 CB ALA A 119 26.024 50.442 18.375 1.00 27.47 C +ATOM 880 N ASN A 120 25.712 47.837 20.364 1.00 30.19 N +ATOM 881 CA ASN A 120 26.394 46.697 20.978 1.00 31.83 C +ATOM 882 C ASN A 120 25.633 45.400 20.871 1.00 31.62 C +ATOM 883 O ASN A 120 26.124 44.389 21.335 1.00 30.93 O +ATOM 884 CB ASN A 120 26.733 46.965 22.447 1.00 33.05 C +ATOM 885 CG ASN A 120 27.805 48.055 22.605 1.00 38.99 C +ATOM 886 OD1 ASN A 120 28.787 48.097 21.842 1.00 44.64 O +ATOM 887 ND2 ASN A 120 27.610 48.953 23.578 1.00 43.69 N +ATOM 888 N LEU A 121 24.427 45.424 20.298 1.00 30.32 N +ATOM 889 CA LEU A 121 23.756 44.177 19.945 1.00 30.28 C +ATOM 890 C LEU A 121 24.232 43.750 18.545 1.00 30.14 C +ATOM 891 O LEU A 121 23.838 44.354 17.529 1.00 29.66 O +ATOM 892 CB LEU A 121 22.221 44.314 19.994 1.00 29.43 C +ATOM 893 CG LEU A 121 21.655 44.833 21.312 1.00 29.47 C +ATOM 894 CD1 LEU A 121 20.133 45.148 21.240 1.00 28.60 C +ATOM 895 CD2 LEU A 121 21.981 43.867 22.439 1.00 30.01 C +ATOM 896 N LYS A 122 25.104 42.739 18.514 1.00 30.23 N +ATOM 897 CA LYS A 122 25.692 42.242 17.272 1.00 30.77 C +ATOM 898 C LYS A 122 24.963 41.015 16.720 1.00 30.31 C +ATOM 899 O LYS A 122 24.994 40.748 15.520 1.00 30.97 O +ATOM 900 CB LYS A 122 27.150 41.856 17.492 1.00 31.10 C +ATOM 901 CG LYS A 122 27.932 42.857 18.270 1.00 34.55 C +ATOM 902 CD LYS A 122 28.254 44.068 17.435 1.00 37.21 C +ATOM 903 CE LYS A 122 29.578 44.637 17.921 1.00 41.85 C +ATOM 904 NZ LYS A 122 29.647 46.122 17.779 1.00 45.04 N +ATOM 905 N SER A 123 24.353 40.234 17.590 1.00 28.89 N +ATOM 906 CA SER A 123 23.593 39.080 17.119 1.00 29.25 C +ATOM 907 C SER A 123 22.504 38.756 18.130 1.00 29.01 C +ATOM 908 O SER A 123 22.439 39.361 19.199 1.00 29.07 O +ATOM 909 CB SER A 123 24.514 37.847 16.919 1.00 28.38 C +ATOM 910 OG SER A 123 24.909 37.328 18.187 1.00 30.05 O +ATOM 911 N ILE A 124 21.657 37.797 17.779 1.00 30.11 N +ATOM 912 CA ILE A 124 20.560 37.354 18.616 1.00 30.40 C +ATOM 913 C ILE A 124 21.044 36.980 20.043 1.00 31.66 C +ATOM 914 O ILE A 124 20.308 37.162 21.020 1.00 30.63 O +ATOM 915 CB ILE A 124 19.830 36.168 17.921 1.00 30.97 C +ATOM 916 CG1 ILE A 124 18.526 35.811 18.648 1.00 31.32 C +ATOM 917 CG2 ILE A 124 20.760 34.954 17.775 1.00 29.74 C +ATOM 918 CD1 ILE A 124 17.435 36.836 18.440 1.00 33.00 C +ATOM 919 N ASP A 125 22.286 36.472 20.155 1.00 32.15 N +ATOM 920 CA ASP A 125 22.858 36.041 21.449 1.00 32.32 C +ATOM 921 C ASP A 125 23.117 37.191 22.390 1.00 31.43 C +ATOM 922 O ASP A 125 23.291 36.996 23.591 1.00 30.73 O +ATOM 923 CB ASP A 125 24.180 35.287 21.239 1.00 33.54 C +ATOM 924 CG ASP A 125 24.027 34.128 20.295 1.00 36.42 C +ATOM 925 OD1 ASP A 125 23.000 33.427 20.372 1.00 38.93 O +ATOM 926 OD2 ASP A 125 24.912 33.948 19.440 1.00 41.72 O +ATOM 927 N ASP A 126 23.151 38.402 21.849 1.00 30.57 N +ATOM 928 CA ASP A 126 23.341 39.566 22.696 1.00 29.73 C +ATOM 929 C ASP A 126 22.028 40.092 23.290 1.00 29.14 C +ATOM 930 O ASP A 126 22.059 40.903 24.202 1.00 28.18 O +ATOM 931 CB ASP A 126 24.023 40.693 21.927 1.00 29.86 C +ATOM 932 CG ASP A 126 25.409 40.308 21.440 1.00 31.45 C +ATOM 933 OD1 ASP A 126 26.168 39.758 22.245 1.00 32.98 O +ATOM 934 OD2 ASP A 126 25.732 40.556 20.265 1.00 29.33 O +ATOM 935 N VAL A 127 20.891 39.663 22.750 1.00 28.12 N +ATOM 936 CA VAL A 127 19.600 40.132 23.270 1.00 27.54 C +ATOM 937 C VAL A 127 19.398 39.543 24.680 1.00 27.24 C +ATOM 938 O VAL A 127 19.603 38.361 24.881 1.00 26.18 O +ATOM 939 CB VAL A 127 18.442 39.723 22.332 1.00 27.46 C +ATOM 940 CG1 VAL A 127 17.094 40.157 22.913 1.00 26.88 C +ATOM 941 CG2 VAL A 127 18.645 40.294 20.923 1.00 27.36 C +ATOM 942 N PRO A 128 19.011 40.375 25.658 1.00 27.18 N +ATOM 943 CA PRO A 128 18.809 39.845 26.999 1.00 27.22 C +ATOM 944 C PRO A 128 17.902 38.614 26.998 1.00 27.86 C +ATOM 945 O PRO A 128 16.919 38.562 26.249 1.00 27.80 O +ATOM 946 CB PRO A 128 18.130 41.002 27.724 1.00 26.62 C +ATOM 947 CG PRO A 128 18.769 42.235 27.104 1.00 28.03 C +ATOM 948 CD PRO A 128 18.898 41.850 25.616 1.00 27.41 C +ATOM 949 N ALA A 129 18.221 37.627 27.834 1.00 27.80 N +ATOM 950 CA ALA A 129 17.410 36.415 27.870 1.00 28.35 C +ATOM 951 C ALA A 129 15.934 36.714 28.217 1.00 28.08 C +ATOM 952 O ALA A 129 15.010 36.049 27.696 1.00 27.99 O +ATOM 953 CB ALA A 129 18.005 35.402 28.850 1.00 28.21 C +ATOM 954 N TYR A 130 15.720 37.696 29.098 1.00 27.53 N +ATOM 955 CA TYR A 130 14.362 38.016 29.546 1.00 27.52 C +ATOM 956 C TYR A 130 13.523 38.512 28.358 1.00 27.66 C +ATOM 957 O TYR A 130 12.357 38.146 28.241 1.00 27.90 O +ATOM 958 CB TYR A 130 14.350 39.024 30.720 1.00 27.57 C +ATOM 959 CG TYR A 130 14.359 40.464 30.262 1.00 27.15 C +ATOM 960 CD1 TYR A 130 13.183 41.099 29.871 1.00 29.10 C +ATOM 961 CD2 TYR A 130 15.554 41.175 30.181 1.00 27.46 C +ATOM 962 CE1 TYR A 130 13.203 42.410 29.409 1.00 28.74 C +ATOM 963 CE2 TYR A 130 15.584 42.465 29.730 1.00 28.56 C +ATOM 964 CZ TYR A 130 14.398 43.072 29.348 1.00 29.54 C +ATOM 965 OH TYR A 130 14.443 44.369 28.916 1.00 34.94 O +ATOM 966 N LEU A 131 14.121 39.315 27.477 1.00 27.44 N +ATOM 967 CA LEU A 131 13.440 39.796 26.273 1.00 27.71 C +ATOM 968 C LEU A 131 13.166 38.664 25.271 1.00 27.69 C +ATOM 969 O LEU A 131 12.027 38.483 24.788 1.00 27.08 O +ATOM 970 CB LEU A 131 14.240 40.910 25.608 1.00 27.68 C +ATOM 971 CG LEU A 131 13.453 41.705 24.555 1.00 29.36 C +ATOM 972 CD1 LEU A 131 12.160 42.314 25.137 1.00 28.92 C +ATOM 973 CD2 LEU A 131 14.328 42.790 23.943 1.00 29.57 C +ATOM 974 N LYS A 132 14.211 37.901 24.953 1.00 27.29 N +ATOM 975 CA LYS A 132 14.038 36.681 24.180 1.00 27.37 C +ATOM 976 C LYS A 132 12.846 35.869 24.734 1.00 26.26 C +ATOM 977 O LYS A 132 11.948 35.517 23.986 1.00 26.14 O +ATOM 978 CB LYS A 132 15.336 35.843 24.172 1.00 28.31 C +ATOM 979 CG LYS A 132 16.386 36.314 23.170 1.00 30.56 C +ATOM 980 CD LYS A 132 17.511 35.269 22.990 1.00 33.45 C +ATOM 981 CE LYS A 132 18.727 35.625 23.835 1.00 35.02 C +ATOM 982 NZ LYS A 132 19.939 34.745 23.591 1.00 37.99 N +ATOM 983 N ASP A 133 12.839 35.580 26.034 1.00 25.23 N +ATOM 984 CA ASP A 133 11.757 34.796 26.662 1.00 24.89 C +ATOM 985 C ASP A 133 10.358 35.406 26.531 1.00 24.44 C +ATOM 986 O ASP A 133 9.383 34.687 26.328 1.00 23.26 O +ATOM 987 CB ASP A 133 12.027 34.569 28.159 1.00 24.84 C +ATOM 988 CG ASP A 133 13.166 33.593 28.417 1.00 28.52 C +ATOM 989 OD1 ASP A 133 13.562 32.849 27.490 1.00 31.06 O +ATOM 990 OD2 ASP A 133 13.678 33.593 29.552 1.00 31.64 O +ATOM 991 N GLN A 134 10.272 36.724 26.710 1.00 24.07 N +ATOM 992 CA GLN A 134 9.018 37.455 26.504 1.00 24.53 C +ATOM 993 C GLN A 134 8.504 37.351 25.062 1.00 24.16 C +ATOM 994 O GLN A 134 7.301 37.181 24.843 1.00 23.95 O +ATOM 995 CB GLN A 134 9.182 38.943 26.874 1.00 24.01 C +ATOM 996 CG GLN A 134 9.537 39.176 28.333 1.00 25.53 C +ATOM 997 CD GLN A 134 9.354 40.607 28.741 1.00 25.83 C +ATOM 998 OE1 GLN A 134 9.357 40.934 29.927 1.00 27.07 O +ATOM 999 NE2 GLN A 134 9.165 41.470 27.766 1.00 26.58 N +ATOM 1000 N ILE A 135 9.399 37.479 24.086 1.00 23.99 N +ATOM 1001 CA ILE A 135 8.997 37.405 22.674 1.00 24.11 C +ATOM 1002 C ILE A 135 8.444 36.023 22.366 1.00 25.38 C +ATOM 1003 O ILE A 135 7.381 35.878 21.727 1.00 25.45 O +ATOM 1004 CB ILE A 135 10.163 37.749 21.719 1.00 24.40 C +ATOM 1005 CG1 ILE A 135 10.565 39.216 21.892 1.00 23.65 C +ATOM 1006 CG2 ILE A 135 9.834 37.373 20.230 1.00 20.81 C +ATOM 1007 CD1 ILE A 135 11.932 39.561 21.290 1.00 21.20 C +ATOM 1008 N LYS A 136 9.138 35.006 22.859 1.00 25.73 N +ATOM 1009 CA LYS A 136 8.711 33.639 22.643 1.00 26.35 C +ATOM 1010 C LYS A 136 7.365 33.315 23.315 1.00 25.70 C +ATOM 1011 O LYS A 136 6.482 32.730 22.684 1.00 24.73 O +ATOM 1012 CB LYS A 136 9.839 32.696 23.079 1.00 27.12 C +ATOM 1013 CG LYS A 136 9.491 31.210 23.059 1.00 30.98 C +ATOM 1014 CD LYS A 136 10.754 30.398 23.454 1.00 38.08 C +ATOM 1015 CE LYS A 136 10.456 28.907 23.637 1.00 40.93 C +ATOM 1016 NZ LYS A 136 9.113 28.719 24.265 1.00 44.61 N +ATOM 1017 N HIS A 137 7.192 33.740 24.575 1.00 25.25 N +ATOM 1018 CA HIS A 137 5.900 33.625 25.278 1.00 24.60 C +ATOM 1019 C HIS A 137 4.757 34.338 24.511 1.00 23.92 C +ATOM 1020 O HIS A 137 3.645 33.784 24.345 1.00 23.75 O +ATOM 1021 CB HIS A 137 6.011 34.201 26.735 1.00 24.77 C +ATOM 1022 CG HIS A 137 4.761 34.005 27.551 1.00 25.29 C +ATOM 1023 ND1 HIS A 137 3.872 35.028 27.824 1.00 25.11 N +ATOM 1024 CD2 HIS A 137 4.228 32.888 28.111 1.00 22.39 C +ATOM 1025 CE1 HIS A 137 2.856 34.556 28.526 1.00 22.79 C +ATOM 1026 NE2 HIS A 137 3.047 33.259 28.714 1.00 26.13 N +ATOM 1027 N PHE A 138 5.022 35.573 24.066 1.00 23.23 N +ATOM 1028 CA PHE A 138 4.054 36.330 23.261 1.00 23.01 C +ATOM 1029 C PHE A 138 3.523 35.499 22.087 1.00 23.59 C +ATOM 1030 O PHE A 138 2.313 35.315 21.948 1.00 22.99 O +ATOM 1031 CB PHE A 138 4.588 37.688 22.737 1.00 21.76 C +ATOM 1032 CG PHE A 138 3.581 38.410 21.879 1.00 22.65 C +ATOM 1033 CD1 PHE A 138 2.538 39.114 22.458 1.00 20.19 C +ATOM 1034 CD2 PHE A 138 3.626 38.326 20.481 1.00 22.75 C +ATOM 1035 CE1 PHE A 138 1.566 39.746 21.672 1.00 20.14 C +ATOM 1036 CE2 PHE A 138 2.661 38.960 19.693 1.00 18.78 C +ATOM 1037 CZ PHE A 138 1.624 39.658 20.306 1.00 18.64 C +ATOM 1038 N PHE A 139 4.418 34.995 21.238 1.00 24.32 N +ATOM 1039 CA PHE A 139 3.966 34.206 20.091 1.00 25.35 C +ATOM 1040 C PHE A 139 3.302 32.873 20.431 1.00 26.07 C +ATOM 1041 O PHE A 139 2.369 32.435 19.751 1.00 26.11 O +ATOM 1042 CB PHE A 139 5.084 34.060 19.068 1.00 25.90 C +ATOM 1043 CG PHE A 139 5.393 35.342 18.370 1.00 27.31 C +ATOM 1044 CD1 PHE A 139 4.535 35.827 17.393 1.00 27.14 C +ATOM 1045 CD2 PHE A 139 6.515 36.088 18.718 1.00 26.77 C +ATOM 1046 CE1 PHE A 139 4.796 37.021 16.763 1.00 26.81 C +ATOM 1047 CE2 PHE A 139 6.786 37.279 18.088 1.00 27.38 C +ATOM 1048 CZ PHE A 139 5.915 37.750 17.096 1.00 27.03 C +ATOM 1049 N GLU A 140 3.747 32.247 21.508 1.00 27.11 N +ATOM 1050 CA GLU A 140 3.095 31.047 22.009 1.00 28.38 C +ATOM 1051 C GLU A 140 1.679 31.261 22.518 1.00 27.76 C +ATOM 1052 O GLU A 140 0.889 30.341 22.460 1.00 28.49 O +ATOM 1053 CB GLU A 140 3.937 30.396 23.110 1.00 28.39 C +ATOM 1054 CG GLU A 140 5.150 29.725 22.513 1.00 32.77 C +ATOM 1055 CD GLU A 140 5.926 28.953 23.534 1.00 35.86 C +ATOM 1056 OE1 GLU A 140 5.978 29.397 24.707 1.00 36.53 O +ATOM 1057 OE2 GLU A 140 6.491 27.914 23.149 1.00 38.06 O +ATOM 1058 N GLN A 141 1.358 32.463 22.996 1.00 27.27 N +ATOM 1059 CA GLN A 141 0.098 32.706 23.718 1.00 26.49 C +ATOM 1060 C GLN A 141 -0.891 33.712 23.103 1.00 26.43 C +ATOM 1061 O GLN A 141 -2.081 33.621 23.367 1.00 26.26 O +ATOM 1062 CB GLN A 141 0.390 33.129 25.170 1.00 26.70 C +ATOM 1063 CG GLN A 141 1.054 32.012 26.000 1.00 25.87 C +ATOM 1064 CD GLN A 141 0.143 30.811 26.137 1.00 27.04 C +ATOM 1065 OE1 GLN A 141 -1.078 30.964 26.127 1.00 26.18 O +ATOM 1066 NE2 GLN A 141 0.725 29.604 26.246 1.00 24.08 N +ATOM 1067 N TYR A 142 -0.431 34.650 22.283 1.00 25.24 N +ATOM 1068 CA TYR A 142 -1.324 35.723 21.835 1.00 25.93 C +ATOM 1069 C TYR A 142 -2.589 35.291 21.046 1.00 26.85 C +ATOM 1070 O TYR A 142 -3.600 36.023 21.036 1.00 25.86 O +ATOM 1071 CB TYR A 142 -0.550 36.851 21.122 1.00 24.57 C +ATOM 1072 CG TYR A 142 -0.237 36.657 19.645 1.00 24.88 C +ATOM 1073 CD1 TYR A 142 -0.614 37.636 18.697 1.00 23.74 C +ATOM 1074 CD2 TYR A 142 0.484 35.536 19.189 1.00 23.36 C +ATOM 1075 CE1 TYR A 142 -0.311 37.485 17.323 1.00 24.35 C +ATOM 1076 CE2 TYR A 142 0.795 35.381 17.840 1.00 23.20 C +ATOM 1077 CZ TYR A 142 0.408 36.350 16.908 1.00 24.71 C +ATOM 1078 OH TYR A 142 0.726 36.189 15.570 1.00 23.16 O +ATOM 1079 N LYS A 143 -2.538 34.106 20.425 1.00 27.36 N +ATOM 1080 CA LYS A 143 -3.656 33.620 19.616 1.00 28.59 C +ATOM 1081 C LYS A 143 -4.517 32.628 20.383 1.00 28.24 C +ATOM 1082 O LYS A 143 -5.450 32.069 19.814 1.00 28.26 O +ATOM 1083 CB LYS A 143 -3.179 32.956 18.314 1.00 28.24 C +ATOM 1084 CG LYS A 143 -2.845 33.904 17.177 1.00 30.18 C +ATOM 1085 CD LYS A 143 -2.035 33.123 16.136 1.00 31.30 C +ATOM 1086 CE LYS A 143 -2.057 33.788 14.782 1.00 32.46 C +ATOM 1087 NZ LYS A 143 -1.094 33.108 13.850 1.00 31.69 N +ATOM 1088 N ALA A 144 -4.214 32.446 21.666 1.00 28.11 N +ATOM 1089 CA ALA A 144 -4.911 31.489 22.514 1.00 28.53 C +ATOM 1090 C ALA A 144 -6.436 31.578 22.439 1.00 29.33 C +ATOM 1091 O ALA A 144 -7.109 30.576 22.625 1.00 29.02 O +ATOM 1092 CB ALA A 144 -4.446 31.610 23.979 1.00 27.54 C +ATOM 1093 N LEU A 145 -6.986 32.755 22.160 1.00 30.11 N +ATOM 1094 CA LEU A 145 -8.442 32.926 22.243 1.00 31.34 C +ATOM 1095 C LEU A 145 -9.115 33.091 20.884 1.00 33.19 C +ATOM 1096 O LEU A 145 -10.278 33.527 20.799 1.00 34.02 O +ATOM 1097 CB LEU A 145 -8.836 34.068 23.184 1.00 30.04 C +ATOM 1098 CG LEU A 145 -8.451 33.803 24.646 1.00 29.77 C +ATOM 1099 CD1 LEU A 145 -8.766 35.020 25.539 1.00 27.97 C +ATOM 1100 CD2 LEU A 145 -9.158 32.558 25.178 1.00 28.92 C +ATOM 1101 N GLU A 146 -8.404 32.722 19.826 1.00 34.54 N +ATOM 1102 CA GLU A 146 -9.007 32.685 18.497 1.00 36.61 C +ATOM 1103 C GLU A 146 -9.127 31.241 18.018 1.00 36.98 C +ATOM 1104 O GLU A 146 -8.131 30.520 17.940 1.00 37.28 O +ATOM 1105 CB GLU A 146 -8.198 33.548 17.528 1.00 36.66 C +ATOM 1106 CG GLU A 146 -8.473 35.038 17.752 1.00 39.16 C +ATOM 1107 CD GLU A 146 -7.212 35.867 17.769 1.00 41.76 C +ATOM 1108 OE1 GLU A 146 -6.523 35.925 16.724 1.00 46.57 O +ATOM 1109 OE2 GLU A 146 -6.907 36.480 18.809 1.00 41.40 O +ATOM 1110 N LYS A 147 -10.355 30.810 17.733 1.00 38.45 N +ATOM 1111 CA LYS A 147 -10.597 29.436 17.247 1.00 39.30 C +ATOM 1112 C LYS A 147 -9.881 29.202 15.918 1.00 39.80 C +ATOM 1113 O LYS A 147 -9.942 30.031 15.004 1.00 39.70 O +ATOM 1114 CB LYS A 147 -12.107 29.141 17.099 1.00 39.10 C +ATOM 1115 N GLY A 148 -9.196 28.069 15.813 1.00 40.78 N +ATOM 1116 CA GLY A 148 -8.523 27.724 14.574 1.00 41.89 C +ATOM 1117 C GLY A 148 -7.129 28.302 14.423 1.00 42.81 C +ATOM 1118 O GLY A 148 -6.505 28.152 13.366 1.00 43.25 O +ATOM 1119 N LYS A 149 -6.631 28.970 15.467 1.00 42.74 N +ATOM 1120 CA LYS A 149 -5.309 29.594 15.395 1.00 42.54 C +ATOM 1121 C LYS A 149 -4.401 29.040 16.468 1.00 42.14 C +ATOM 1122 O LYS A 149 -4.838 28.797 17.587 1.00 42.29 O +ATOM 1123 CB LYS A 149 -5.433 31.099 15.551 1.00 42.68 C +ATOM 1124 CG LYS A 149 -6.172 31.762 14.419 1.00 43.87 C +ATOM 1125 CD LYS A 149 -6.153 33.241 14.672 1.00 47.65 C +ATOM 1126 CE LYS A 149 -6.746 34.013 13.534 1.00 49.81 C +ATOM 1127 NZ LYS A 149 -6.712 35.448 13.904 1.00 50.78 N +ATOM 1128 N TRP A 150 -3.132 28.836 16.131 1.00 41.69 N +ATOM 1129 CA TRP A 150 -2.195 28.252 17.077 1.00 41.16 C +ATOM 1130 C TRP A 150 -0.741 28.515 16.617 1.00 40.09 C +ATOM 1131 O TRP A 150 -0.498 28.906 15.467 1.00 39.90 O +ATOM 1132 CB TRP A 150 -2.482 26.751 17.256 1.00 42.09 C +ATOM 1133 CG TRP A 150 -2.424 25.994 15.941 1.00 44.48 C +ATOM 1134 CD1 TRP A 150 -3.473 25.731 15.085 1.00 46.23 C +ATOM 1135 CD2 TRP A 150 -1.253 25.441 15.319 1.00 47.04 C +ATOM 1136 NE1 TRP A 150 -3.018 25.043 13.976 1.00 47.57 N +ATOM 1137 CE2 TRP A 150 -1.664 24.847 14.098 1.00 48.31 C +ATOM 1138 CE3 TRP A 150 0.104 25.389 15.673 1.00 47.74 C +ATOM 1139 CZ2 TRP A 150 -0.759 24.213 13.228 1.00 49.44 C +ATOM 1140 CZ3 TRP A 150 1.004 24.752 14.797 1.00 48.88 C +ATOM 1141 CH2 TRP A 150 0.565 24.178 13.597 1.00 48.25 C +ATOM 1142 N VAL A 151 0.209 28.336 17.527 1.00 38.25 N +ATOM 1143 CA VAL A 151 1.612 28.584 17.228 1.00 37.22 C +ATOM 1144 C VAL A 151 2.497 27.650 18.003 1.00 37.01 C +ATOM 1145 O VAL A 151 2.385 27.567 19.224 1.00 37.18 O +ATOM 1146 CB VAL A 151 2.064 29.984 17.683 1.00 36.92 C +ATOM 1147 CG1 VAL A 151 3.609 30.090 17.614 1.00 36.17 C +ATOM 1148 CG2 VAL A 151 1.374 31.052 16.887 1.00 37.01 C +ATOM 1149 N LYS A 152 3.411 26.983 17.306 1.00 37.00 N +ATOM 1150 CA LYS A 152 4.498 26.276 17.985 1.00 37.07 C +ATOM 1151 C LYS A 152 5.842 26.914 17.600 1.00 36.86 C +ATOM 1152 O LYS A 152 6.130 27.120 16.424 1.00 36.56 O +ATOM 1153 CB LYS A 152 4.462 24.764 17.671 1.00 37.12 C +ATOM 1154 N VAL A 153 6.626 27.265 18.610 1.00 37.55 N +ATOM 1155 CA VAL A 153 7.952 27.825 18.420 1.00 38.67 C +ATOM 1156 C VAL A 153 8.974 26.699 18.221 1.00 39.79 C +ATOM 1157 O VAL A 153 9.112 25.831 19.090 1.00 40.45 O +ATOM 1158 CB VAL A 153 8.383 28.679 19.647 1.00 38.52 C +ATOM 1159 CG1 VAL A 153 9.857 29.052 19.544 1.00 38.07 C +ATOM 1160 CG2 VAL A 153 7.497 29.925 19.786 1.00 37.74 C +ATOM 1161 N GLU A 154 9.687 26.708 17.090 1.00 40.04 N +ATOM 1162 CA GLU A 154 10.734 25.724 16.843 1.00 40.39 C +ATOM 1163 C GLU A 154 12.069 26.146 17.482 1.00 39.58 C +ATOM 1164 O GLU A 154 12.725 25.346 18.138 1.00 39.63 O +ATOM 1165 CB GLU A 154 10.906 25.461 15.339 1.00 40.95 C +ATOM 1166 CG GLU A 154 9.594 25.360 14.525 1.00 44.59 C +ATOM 1167 CD GLU A 154 8.715 24.132 14.863 1.00 51.27 C +ATOM 1168 OE1 GLU A 154 9.167 23.234 15.624 1.00 52.36 O +ATOM 1169 OE2 GLU A 154 7.557 24.071 14.356 1.00 52.58 O +ATOM 1170 N GLY A 155 12.483 27.394 17.293 1.00 38.48 N +ATOM 1171 CA GLY A 155 13.721 27.866 17.929 1.00 37.24 C +ATOM 1172 C GLY A 155 14.311 29.122 17.304 1.00 36.18 C +ATOM 1173 O GLY A 155 13.750 29.666 16.353 1.00 36.76 O +ATOM 1174 N TRP A 156 15.439 29.571 17.847 1.00 34.89 N +ATOM 1175 CA TRP A 156 16.155 30.742 17.367 1.00 34.38 C +ATOM 1176 C TRP A 156 17.174 30.356 16.302 1.00 34.36 C +ATOM 1177 O TRP A 156 17.674 29.239 16.305 1.00 35.16 O +ATOM 1178 CB TRP A 156 16.906 31.397 18.520 1.00 33.47 C +ATOM 1179 CG TRP A 156 16.018 31.843 19.632 1.00 33.27 C +ATOM 1180 CD1 TRP A 156 15.803 31.203 20.822 1.00 33.92 C +ATOM 1181 CD2 TRP A 156 15.201 33.031 19.662 1.00 30.60 C +ATOM 1182 NE1 TRP A 156 14.910 31.924 21.596 1.00 32.30 N +ATOM 1183 CE2 TRP A 156 14.523 33.044 20.909 1.00 31.40 C +ATOM 1184 CE3 TRP A 156 14.973 34.070 18.760 1.00 31.26 C +ATOM 1185 CZ2 TRP A 156 13.630 34.062 21.273 1.00 30.75 C +ATOM 1186 CZ3 TRP A 156 14.095 35.104 19.135 1.00 32.01 C +ATOM 1187 CH2 TRP A 156 13.444 35.090 20.380 1.00 29.67 C +ATOM 1188 N ASP A 157 17.469 31.272 15.386 1.00 33.86 N +ATOM 1189 CA ASP A 157 18.577 31.106 14.437 1.00 32.34 C +ATOM 1190 C ASP A 157 19.263 32.457 14.275 1.00 31.51 C +ATOM 1191 O ASP A 157 18.729 33.478 14.724 1.00 31.36 O +ATOM 1192 CB ASP A 157 18.063 30.581 13.096 1.00 32.87 C +ATOM 1193 CG ASP A 157 19.050 29.623 12.430 1.00 33.29 C +ATOM 1194 OD1 ASP A 157 20.267 29.756 12.646 1.00 34.65 O +ATOM 1195 OD2 ASP A 157 18.612 28.741 11.682 1.00 34.01 O +ATOM 1196 N GLY A 158 20.444 32.474 13.656 1.00 29.77 N +ATOM 1197 CA GLY A 158 21.324 33.641 13.683 1.00 27.83 C +ATOM 1198 C GLY A 158 21.263 34.514 12.449 1.00 27.09 C +ATOM 1199 O GLY A 158 20.326 34.406 11.659 1.00 26.51 O +ATOM 1200 N ILE A 159 22.272 35.374 12.288 1.00 26.02 N +ATOM 1201 CA ILE A 159 22.293 36.402 11.250 1.00 26.35 C +ATOM 1202 C ILE A 159 22.280 35.847 9.827 1.00 26.41 C +ATOM 1203 O ILE A 159 21.581 36.376 8.946 1.00 25.21 O +ATOM 1204 CB ILE A 159 23.504 37.366 11.418 1.00 26.70 C +ATOM 1205 CG1 ILE A 159 23.361 38.233 12.685 1.00 28.08 C +ATOM 1206 CG2 ILE A 159 23.650 38.301 10.246 1.00 26.01 C +ATOM 1207 CD1 ILE A 159 24.668 39.003 13.012 1.00 28.81 C +ATOM 1208 N ASP A 160 23.038 34.772 9.597 1.00 26.15 N +ATOM 1209 CA ASP A 160 23.112 34.177 8.249 1.00 25.96 C +ATOM 1210 C ASP A 160 21.756 33.642 7.817 1.00 24.88 C +ATOM 1211 O ASP A 160 21.374 33.777 6.665 1.00 24.73 O +ATOM 1212 CB ASP A 160 24.116 33.010 8.205 1.00 26.67 C +ATOM 1213 CG ASP A 160 25.541 33.433 8.520 1.00 29.50 C +ATOM 1214 OD1 ASP A 160 25.934 34.574 8.239 1.00 30.48 O +ATOM 1215 OD2 ASP A 160 26.293 32.584 9.050 1.00 35.45 O +ATOM 1216 N ALA A 161 21.032 32.999 8.728 1.00 23.99 N +ATOM 1217 CA ALA A 161 19.680 32.532 8.392 1.00 23.50 C +ATOM 1218 C ALA A 161 18.751 33.702 8.082 1.00 23.21 C +ATOM 1219 O ALA A 161 17.935 33.606 7.165 1.00 24.21 O +ATOM 1220 CB ALA A 161 19.115 31.701 9.495 1.00 23.26 C +ATOM 1221 N ALA A 162 18.894 34.805 8.824 1.00 23.21 N +ATOM 1222 CA ALA A 162 18.103 36.027 8.571 1.00 23.79 C +ATOM 1223 C ALA A 162 18.362 36.572 7.170 1.00 23.81 C +ATOM 1224 O ALA A 162 17.440 36.955 6.439 1.00 23.83 O +ATOM 1225 CB ALA A 162 18.394 37.118 9.643 1.00 22.09 C +ATOM 1226 N HIS A 163 19.642 36.604 6.796 1.00 24.63 N +ATOM 1227 CA HIS A 163 20.029 37.073 5.475 1.00 24.48 C +ATOM 1228 C HIS A 163 19.483 36.211 4.326 1.00 24.40 C +ATOM 1229 O HIS A 163 19.062 36.754 3.319 1.00 24.93 O +ATOM 1230 CB HIS A 163 21.542 37.247 5.411 1.00 24.71 C +ATOM 1231 CG HIS A 163 22.027 38.433 6.186 1.00 24.48 C +ATOM 1232 ND1 HIS A 163 23.346 38.602 6.556 1.00 25.05 N +ATOM 1233 CD2 HIS A 163 21.361 39.517 6.658 1.00 24.82 C +ATOM 1234 CE1 HIS A 163 23.478 39.748 7.207 1.00 26.44 C +ATOM 1235 NE2 HIS A 163 22.286 40.321 7.286 1.00 25.55 N +ATOM 1236 N LYS A 164 19.483 34.885 4.485 1.00 24.88 N +ATOM 1237 CA LYS A 164 18.856 33.977 3.518 1.00 26.27 C +ATOM 1238 C LYS A 164 17.384 34.322 3.344 1.00 25.61 C +ATOM 1239 O LYS A 164 16.892 34.453 2.231 1.00 25.21 O +ATOM 1240 CB LYS A 164 18.864 32.524 4.009 1.00 25.32 C +ATOM 1241 CG LYS A 164 20.048 31.657 3.721 1.00 30.29 C +ATOM 1242 CD LYS A 164 19.613 30.121 3.720 1.00 34.26 C +ATOM 1243 CE LYS A 164 18.052 29.873 3.503 1.00 36.52 C +ATOM 1244 NZ LYS A 164 17.403 29.714 2.102 1.00 34.41 N +ATOM 1245 N GLU A 165 16.667 34.392 4.472 1.00 25.78 N +ATOM 1246 CA GLU A 165 15.244 34.755 4.441 1.00 25.93 C +ATOM 1247 C GLU A 165 15.002 36.070 3.666 1.00 25.03 C +ATOM 1248 O GLU A 165 14.080 36.172 2.864 1.00 25.31 O +ATOM 1249 CB GLU A 165 14.664 34.826 5.886 1.00 26.24 C +ATOM 1250 CG GLU A 165 13.251 35.378 5.967 1.00 28.43 C +ATOM 1251 CD GLU A 165 12.136 34.349 5.679 1.00 34.26 C +ATOM 1252 OE1 GLU A 165 12.441 33.135 5.549 1.00 30.46 O +ATOM 1253 OE2 GLU A 165 10.938 34.777 5.629 1.00 38.23 O +ATOM 1254 N ILE A 166 15.831 37.076 3.918 1.00 25.30 N +ATOM 1255 CA ILE A 166 15.736 38.343 3.199 1.00 25.03 C +ATOM 1256 C ILE A 166 16.037 38.168 1.671 1.00 26.31 C +ATOM 1257 O ILE A 166 15.225 38.577 0.837 1.00 25.19 O +ATOM 1258 CB ILE A 166 16.663 39.415 3.819 1.00 24.79 C +ATOM 1259 CG1 ILE A 166 16.224 39.786 5.264 1.00 23.32 C +ATOM 1260 CG2 ILE A 166 16.705 40.658 2.942 1.00 23.43 C +ATOM 1261 CD1 ILE A 166 17.231 40.715 6.023 1.00 17.43 C +ATOM 1262 N THR A 167 17.178 37.556 1.314 1.00 26.73 N +ATOM 1263 CA THR A 167 17.499 37.327 -0.131 1.00 27.90 C +ATOM 1264 C THR A 167 16.388 36.528 -0.853 1.00 27.76 C +ATOM 1265 O THR A 167 15.948 36.919 -1.928 1.00 27.97 O +ATOM 1266 CB THR A 167 18.896 36.655 -0.343 1.00 27.77 C +ATOM 1267 OG1 THR A 167 19.912 37.462 0.265 1.00 29.19 O +ATOM 1268 CG2 THR A 167 19.220 36.514 -1.852 1.00 28.06 C +ATOM 1269 N ASP A 168 15.910 35.440 -0.241 1.00 28.23 N +ATOM 1270 CA ASP A 168 14.773 34.697 -0.801 1.00 29.21 C +ATOM 1271 C ASP A 168 13.567 35.601 -1.013 1.00 29.51 C +ATOM 1272 O ASP A 168 12.931 35.580 -2.066 1.00 29.99 O +ATOM 1273 CB ASP A 168 14.390 33.492 0.087 1.00 29.78 C +ATOM 1274 CG ASP A 168 15.502 32.434 0.167 1.00 30.95 C +ATOM 1275 OD1 ASP A 168 16.467 32.528 -0.605 1.00 30.65 O +ATOM 1276 OD2 ASP A 168 15.430 31.526 1.015 1.00 33.38 O +ATOM 1277 N GLY A 169 13.244 36.407 -0.004 1.00 29.89 N +ATOM 1278 CA GLY A 169 12.060 37.272 -0.081 1.00 29.50 C +ATOM 1279 C GLY A 169 12.136 38.287 -1.199 1.00 29.28 C +ATOM 1280 O GLY A 169 11.170 38.520 -1.900 1.00 27.96 O +ATOM 1281 N VAL A 170 13.285 38.927 -1.335 1.00 29.71 N +ATOM 1282 CA VAL A 170 13.504 39.857 -2.440 1.00 31.10 C +ATOM 1283 C VAL A 170 13.337 39.173 -3.832 1.00 33.09 C +ATOM 1284 O VAL A 170 12.599 39.672 -4.699 1.00 33.41 O +ATOM 1285 CB VAL A 170 14.887 40.574 -2.309 1.00 30.44 C +ATOM 1286 CG1 VAL A 170 15.188 41.389 -3.551 1.00 29.32 C +ATOM 1287 CG2 VAL A 170 14.898 41.459 -1.071 1.00 29.13 C +ATOM 1288 N ALA A 171 14.016 38.036 -4.018 1.00 34.61 N +ATOM 1289 CA ALA A 171 13.922 37.243 -5.237 1.00 36.15 C +ATOM 1290 C ALA A 171 12.473 36.854 -5.526 1.00 37.93 C +ATOM 1291 O ALA A 171 11.950 37.182 -6.592 1.00 38.85 O +ATOM 1292 CB ALA A 171 14.792 35.993 -5.116 1.00 35.84 C +ATOM 1293 N ASN A 172 11.819 36.168 -4.583 1.00 38.94 N +ATOM 1294 CA ASN A 172 10.408 35.776 -4.743 1.00 40.34 C +ATOM 1295 C ASN A 172 9.461 36.914 -5.139 1.00 40.57 C +ATOM 1296 O ASN A 172 8.516 36.702 -5.886 1.00 40.25 O +ATOM 1297 CB ASN A 172 9.869 35.131 -3.470 1.00 40.63 C +ATOM 1298 CG ASN A 172 10.583 33.848 -3.112 1.00 44.22 C +ATOM 1299 OD1 ASN A 172 11.398 33.318 -3.886 1.00 46.04 O +ATOM 1300 ND2 ASN A 172 10.284 33.332 -1.914 1.00 48.20 N +ATOM 1301 N PHE A 173 9.695 38.113 -4.617 1.00 41.30 N +ATOM 1302 CA PHE A 173 8.810 39.231 -4.915 1.00 42.45 C +ATOM 1303 C PHE A 173 8.895 39.652 -6.391 1.00 44.05 C +ATOM 1304 O PHE A 173 7.898 40.045 -6.998 1.00 43.32 O +ATOM 1305 CB PHE A 173 9.118 40.424 -4.012 1.00 41.78 C +ATOM 1306 CG PHE A 173 8.245 41.622 -4.272 1.00 39.79 C +ATOM 1307 CD1 PHE A 173 6.955 41.682 -3.765 1.00 39.49 C +ATOM 1308 CD2 PHE A 173 8.711 42.689 -5.021 1.00 37.99 C +ATOM 1309 CE1 PHE A 173 6.150 42.795 -4.005 1.00 38.53 C +ATOM 1310 CE2 PHE A 173 7.911 43.802 -5.262 1.00 36.13 C +ATOM 1311 CZ PHE A 173 6.631 43.850 -4.757 1.00 37.09 C +ATOM 1312 N LYS A 174 10.098 39.581 -6.955 1.00 46.01 N +ATOM 1313 CA LYS A 174 10.321 39.983 -8.344 1.00 48.08 C +ATOM 1314 C LYS A 174 9.802 38.906 -9.300 1.00 49.84 C +ATOM 1315 O LYS A 174 9.753 39.095 -10.511 1.00 50.31 O +ATOM 1316 CB LYS A 174 11.802 40.337 -8.564 1.00 47.73 C +ATOM 1317 CG LYS A 174 12.190 41.554 -7.729 1.00 46.64 C +ATOM 1318 CD LYS A 174 13.657 41.609 -7.418 1.00 45.19 C +ATOM 1319 CE LYS A 174 14.379 42.456 -8.444 1.00 45.69 C +ATOM 1320 NZ LYS A 174 15.857 42.279 -8.351 1.00 44.08 N +ATOM 1321 N LYS A 175 9.382 37.788 -8.715 1.00 52.11 N +ATOM 1322 CA LYS A 175 8.602 36.759 -9.396 1.00 54.14 C +ATOM 1323 C LYS A 175 9.423 35.473 -9.415 1.00 54.68 C +ATOM 1324 O LYS A 175 9.136 34.467 -8.751 1.00 55.07 O +ATOM 1325 CB LYS A 175 8.214 37.214 -10.809 1.00 54.60 C +ATOM 1326 CG LYS A 175 6.957 36.545 -11.369 1.00 57.59 C +ATOM 1327 CD LYS A 175 6.501 37.199 -12.700 1.00 61.87 C +ATOM 1328 CE LYS A 175 7.706 37.673 -13.531 1.00 63.51 C +ATOM 1329 NZ LYS A 175 8.861 36.709 -13.496 1.00 63.20 N +ATOM 1330 OXT LYS A 175 10.451 35.432 -10.086 1.00 55.71 O +TER 1331 LYS A 175 +HETATM 1332 K K A 176 24.990 43.276 0.005 0.50 24.45 K +HETATM 1333 NA NA A 177 1.633 34.181 11.897 1.00 26.73 NA +HETATM 1334 NA NA A 178 6.489 35.143 8.444 1.00 30.89 NA +HETATM 1335 P1 POP A 179 1.233 37.542 11.212 1.00 32.68 P +HETATM 1336 O1 POP A 179 1.910 38.831 11.612 1.00 32.62 O +HETATM 1337 O2 POP A 179 1.288 37.475 9.712 1.00 33.46 O +HETATM 1338 O3 POP A 179 1.948 36.362 11.841 1.00 30.47 O +HETATM 1339 O POP A 179 -0.339 37.641 11.573 1.00 33.48 O +HETATM 1340 P2 POP A 179 -1.193 36.552 12.370 1.00 36.05 P +HETATM 1341 O4 POP A 179 -2.611 36.792 11.954 1.00 33.39 O +HETATM 1342 O5 POP A 179 -1.079 36.873 13.870 1.00 33.69 O +HETATM 1343 O6 POP A 179 -0.735 35.128 12.124 1.00 33.11 O +HETATM 1344 O1 PG4 A 180 25.225 36.156 6.596 1.00 42.63 O +HETATM 1345 C1 PG4 A 180 25.070 35.591 5.302 1.00 44.20 C +HETATM 1346 C2 PG4 A 180 25.728 36.597 4.386 1.00 46.03 C +HETATM 1347 O2 PG4 A 180 24.774 36.857 3.380 1.00 48.37 O +HETATM 1348 C3 PG4 A 180 25.201 37.981 2.614 1.00 47.94 C +HETATM 1349 C4 PG4 A 180 25.268 39.174 3.548 1.00 46.48 C +HETATM 1350 O3 PG4 A 180 26.617 39.507 3.811 1.00 45.59 O +HETATM 1351 C5 PG4 A 180 26.819 40.888 3.597 1.00 45.33 C +HETATM 1352 C6 PG4 A 180 28.266 41.161 3.954 1.00 47.26 C +HETATM 1353 O4 PG4 A 180 28.982 41.378 2.738 1.00 48.16 O +HETATM 1354 C7 PG4 A 180 30.163 40.616 2.604 1.00 47.41 C +HETATM 1355 C8 PG4 A 180 31.331 41.437 3.117 1.00 51.14 C +HETATM 1356 O5 PG4 A 180 32.081 40.607 4.011 1.00 53.41 O +HETATM 1357 C1 PEG A 181 13.856 28.176 23.722 1.00 59.47 C +HETATM 1358 O1 PEG A 181 14.416 29.487 23.735 1.00 59.79 O +HETATM 1359 C2 PEG A 181 13.605 27.741 22.291 1.00 59.20 C +HETATM 1360 O2 PEG A 181 12.908 26.499 22.379 1.00 59.79 O +HETATM 1361 C3 PEG A 181 11.848 26.393 21.440 1.00 59.65 C +HETATM 1362 C4 PEG A 181 10.883 25.309 21.906 1.00 59.90 C +HETATM 1363 O4 PEG A 181 10.045 25.835 22.942 1.00 58.85 O +HETATM 1364 C1 PEG A 182 19.721 56.811 7.363 1.00 56.17 C +HETATM 1365 O1 PEG A 182 18.409 56.724 7.966 1.00 55.97 O +HETATM 1366 C2 PEG A 182 20.835 56.288 8.271 1.00 54.49 C +HETATM 1367 O2 PEG A 182 21.824 57.291 8.516 1.00 56.31 O +HETATM 1368 C3 PEG A 182 23.176 56.838 8.332 1.00 57.82 C +HETATM 1369 C4 PEG A 182 23.815 57.479 7.094 1.00 58.58 C +HETATM 1370 O4 PEG A 182 24.621 56.536 6.357 1.00 59.04 O +HETATM 1371 O HOH A 183 -6.268 35.297 21.123 1.00 22.39 O +HETATM 1372 O HOH A 184 18.291 50.223 3.964 1.00 24.68 O +HETATM 1373 O HOH A 185 22.029 42.728 8.623 1.00 20.47 O +HETATM 1374 O HOH A 186 15.767 55.114 9.164 1.00 20.81 O +HETATM 1375 O HOH A 187 0.754 45.724 20.847 1.00 21.83 O +HETATM 1376 O HOH A 188 11.338 47.709 21.125 1.00 19.21 O +HETATM 1377 O HOH A 189 19.695 33.152 21.711 1.00 38.29 O +HETATM 1378 O HOH A 190 10.491 50.293 22.101 1.00 18.65 O +HETATM 1379 O HOH A 191 4.344 42.176 9.606 1.00 23.68 O +HETATM 1380 O HOH A 192 22.154 49.578 16.234 1.00 24.18 O +HETATM 1381 O HOH A 193 19.540 33.045 0.367 0.50 15.02 O +HETATM 1382 O HOH A 194 -0.281 31.958 19.977 1.00 27.04 O +HETATM 1383 O HOH A 195 0.714 43.186 11.724 1.00 31.86 O +HETATM 1384 O HOH A 196 3.567 51.947 22.586 1.00 23.51 O +HETATM 1385 O HOH A 197 -1.180 48.644 17.742 1.00 15.53 O +HETATM 1386 O HOH A 198 1.948 54.836 16.377 1.00 21.93 O +HETATM 1387 O HOH A 199 2.509 44.733 28.229 1.00 21.51 O +HETATM 1388 O HOH A 200 2.391 38.378 14.597 1.00 23.11 O +HETATM 1389 O HOH A 201 1.535 33.854 14.371 1.00 27.83 O +HETATM 1390 O HOH A 202 -6.330 29.284 19.591 1.00 32.67 O +HETATM 1391 O HOH A 203 -2.980 54.585 7.752 1.00 25.04 O +HETATM 1392 O HOH A 204 -1.529 52.313 21.859 1.00 28.95 O +HETATM 1393 O HOH A 205 -4.219 37.228 18.172 1.00 29.05 O +HETATM 1394 O HOH A 206 -9.725 38.390 17.936 1.00 25.82 O +HETATM 1395 O HOH A 207 -0.251 50.231 15.527 1.00 41.88 O +HETATM 1396 O HOH A 208 -7.548 43.260 22.219 1.00 19.57 O +HETATM 1397 O HOH A 209 24.427 35.212 14.096 1.00 31.41 O +HETATM 1398 O HOH A 210 17.913 38.657 31.156 1.00 36.76 O +HETATM 1399 O HOH A 211 23.606 42.865 12.451 1.00 25.35 O +HETATM 1400 O HOH A 212 -10.993 36.660 20.173 1.00 34.07 O +HETATM 1401 O HOH A 213 12.726 35.081 31.604 1.00 41.53 O +HETATM 1402 O HOH A 214 11.555 34.813 2.535 1.00 32.40 O +HETATM 1403 O HOH A 215 26.985 45.074 13.907 1.00 33.93 O +HETATM 1404 O HOH A 216 22.305 31.774 11.176 1.00 27.99 O +HETATM 1405 O HOH A 217 -5.311 51.156 18.105 1.00 23.06 O +HETATM 1406 O HOH A 218 4.813 38.197 26.560 1.00 30.39 O +HETATM 1407 O HOH A 219 16.429 31.381 6.556 1.00 31.04 O +HETATM 1408 O HOH A 220 2.094 31.244 8.621 1.00 39.67 O +HETATM 1409 O HOH A 221 3.282 37.464 7.811 1.00 36.79 O +HETATM 1410 O HOH A 222 12.081 42.928 -4.465 1.00 35.63 O +HETATM 1411 O HOH A 223 10.457 52.853 26.328 1.00 29.83 O +HETATM 1412 O HOH A 224 -10.834 37.817 15.537 1.00 32.13 O +HETATM 1413 O HOH A 225 11.844 46.500 23.826 1.00 35.48 O +HETATM 1414 O HOH A 226 4.136 40.856 6.472 1.00 40.41 O +HETATM 1415 O HOH A 227 27.046 47.404 15.617 1.00 32.79 O +HETATM 1416 O HOH A 228 27.357 54.793 8.601 1.00 45.22 O +HETATM 1417 O HOH A 229 23.653 47.745 22.742 1.00 50.33 O +HETATM 1418 O HOH A 230 13.464 46.940 -3.502 1.00 32.04 O +HETATM 1419 O HOH A 231 3.976 32.286 14.525 1.00 31.56 O +HETATM 1420 O HOH A 232 20.596 34.827 26.319 1.00 49.91 O +HETATM 1421 O HOH A 233 0.268 53.053 17.314 1.00 42.31 O +HETATM 1422 O HOH A 234 8.635 54.732 26.919 1.00 33.52 O +HETATM 1423 O HOH A 235 8.723 45.643 25.830 1.00 31.33 O +HETATM 1424 O HOH A 236 9.525 50.219 24.646 1.00 32.19 O +HETATM 1425 O HOH A 237 29.165 40.813 21.487 1.00 56.55 O +HETATM 1426 O HOH A 238 2.494 40.055 8.917 1.00 36.15 O +HETATM 1427 O HOH A 239 -0.777 34.809 9.090 1.00 37.11 O +HETATM 1428 O HOH A 240 23.455 48.536 9.084 1.00 28.44 O +HETATM 1429 O HOH A 241 24.600 49.610 11.229 1.00 23.81 O +HETATM 1430 O HOH A 242 21.015 49.121 7.957 1.00 22.66 O +HETATM 1431 O HOH A 243 24.242 43.201 9.915 1.00 27.87 O +HETATM 1432 O HOH A 244 26.271 42.655 13.711 1.00 28.13 O +HETATM 1433 O HOH A 245 5.960 36.600 6.289 1.00 41.50 O +HETATM 1434 O HOH A 246 18.246 32.111 23.785 1.00 56.31 O +HETATM 1435 O HOH A 247 7.627 32.876 7.134 1.00 33.79 O +HETATM 1436 O HOH A 248 1.165 51.316 -0.972 1.00 46.31 O +HETATM 1437 O HOH A 249 1.154 41.748 26.990 1.00 28.03 O +HETATM 1438 O HOH A 250 5.939 26.535 21.149 1.00 44.12 O +HETATM 1439 O HOH A 251 -5.540 43.055 28.186 1.00 26.47 O +HETATM 1440 O HOH A 252 11.949 30.493 27.231 1.00 52.78 O +HETATM 1441 O HOH A 253 13.331 24.495 13.440 1.00 52.00 O +HETATM 1442 O HOH A 254 -1.435 29.723 20.052 1.00 52.22 O +HETATM 1443 O HOH A 255 2.115 43.165 6.250 1.00 34.91 O +HETATM 1444 O HOH A 256 15.992 53.085 0.933 1.00 34.04 O +HETATM 1445 O HOH A 257 2.292 33.719 9.368 1.00 44.24 O +HETATM 1446 O HOH A 258 3.626 29.350 26.403 1.00 42.97 O +HETATM 1447 O HOH A 259 -3.063 50.429 19.160 1.00 33.64 O +HETATM 1448 O HOH A 260 -4.016 34.810 12.023 1.00 43.84 O +HETATM 1449 O HOH A 261 -7.025 43.005 7.425 1.00 50.38 O +HETATM 1450 O HOH A 262 20.664 37.966 29.449 1.00 39.40 O +HETATM 1451 O HOH A 263 8.219 36.489 7.242 1.00 45.22 O +HETATM 1452 O HOH A 264 7.603 30.314 26.808 1.00 49.95 O +HETATM 1453 O HOH A 265 27.192 38.462 19.035 1.00 38.71 O +HETATM 1454 O HOH A 266 -3.725 41.084 29.707 1.00 44.44 O +HETATM 1455 O HOH A 267 -3.184 38.130 9.900 1.00 31.98 O +HETATM 1456 O HOH A 268 -6.968 37.923 11.495 1.00 40.84 O +HETATM 1457 O HOH A 269 15.958 47.852 -2.923 1.00 44.94 O +HETATM 1458 O HOH A 270 13.106 37.129 -9.048 1.00 35.12 O +HETATM 1459 O HOH A 271 23.944 34.080 16.627 1.00 56.20 O +HETATM 1460 O HOH A 272 17.584 52.420 -1.888 1.00 38.11 O +HETATM 1461 O HOH A 273 5.521 45.450 -0.564 1.00 47.04 O +HETATM 1462 O HOH A 274 25.459 49.006 4.506 1.00 54.02 O +HETATM 1463 O HOH A 275 16.595 27.943 19.928 1.00 49.01 O +HETATM 1464 O HOH A 276 22.019 36.726 26.870 1.00 56.59 O +HETATM 1465 O HOH A 277 10.474 36.654 8.412 1.00 45.47 O +HETATM 1466 O HOH A 278 24.611 33.020 11.703 1.00 47.62 O +HETATM 1467 O HOH A 279 26.899 46.740 4.551 1.00 52.92 O +HETATM 1468 O HOH A 280 6.994 29.354 29.500 1.00 59.06 O +HETATM 1469 O HOH A 281 1.016 41.471 9.152 1.00 46.63 O +HETATM 1470 O HOH A 282 -3.738 28.411 20.723 1.00 58.68 O +HETATM 1471 O HOH A 283 14.325 31.639 5.778 1.00 49.26 O +HETATM 1472 O HOH A 284 27.777 37.727 7.983 1.00 49.01 O +HETATM 1473 O HOH A 285 11.301 44.913 29.125 1.00 47.44 O +HETATM 1474 O HOH A 286 -3.722 51.289 27.893 1.00 28.88 O +HETATM 1475 O HOH A 287 5.173 46.827 -3.289 1.00 59.99 O +HETATM 1476 O HOH A 288 -9.268 38.914 11.481 1.00 39.62 O +HETATM 1477 O HOH A 289 9.346 31.934 27.060 1.00 45.27 O +HETATM 1478 O HOH A 290 24.327 46.350 8.439 1.00 39.23 O +HETATM 1479 O HOH A 291 17.766 26.234 14.240 1.00 58.80 O +HETATM 1480 O HOH A 292 14.667 53.897 27.017 1.00 44.45 O +HETATM 1481 O HOH A 293 13.540 30.919 2.872 1.00 48.68 O +HETATM 1482 O HOH A 294 13.812 54.578 29.178 1.00 37.62 O +CONECT 70 1332 +CONECT 75 1332 +CONECT 94 1332 +CONECT 535 1334 +CONECT 734 1333 +CONECT 767 1334 +CONECT 768 1333 +CONECT 772 1334 +CONECT 1332 70 75 94 +CONECT 1333 734 768 1338 1343 +CONECT 1333 1389 1445 +CONECT 1334 535 767 772 1433 +CONECT 1334 1435 1451 +CONECT 1335 1336 1337 1338 1339 +CONECT 1336 1335 +CONECT 1337 1335 +CONECT 1338 1333 1335 +CONECT 1339 1335 1340 +CONECT 1340 1339 1341 1342 1343 +CONECT 1341 1340 +CONECT 1342 1340 +CONECT 1343 1333 1340 +CONECT 1344 1345 +CONECT 1345 1344 1346 +CONECT 1346 1345 1347 +CONECT 1347 1346 1348 +CONECT 1348 1347 1349 +CONECT 1349 1348 1350 +CONECT 1350 1349 1351 +CONECT 1351 1350 1352 +CONECT 1352 1351 1353 +CONECT 1353 1352 1354 +CONECT 1354 1353 1355 +CONECT 1355 1354 1356 +CONECT 1356 1355 +CONECT 1357 1358 1359 +CONECT 1358 1357 +CONECT 1359 1357 1360 +CONECT 1360 1359 1361 +CONECT 1361 1360 1362 +CONECT 1362 1361 1363 +CONECT 1363 1362 +CONECT 1364 1365 1366 +CONECT 1365 1364 +CONECT 1366 1364 1367 +CONECT 1367 1366 1368 +CONECT 1368 1367 1369 +CONECT 1369 1368 1370 +CONECT 1370 1369 +CONECT 1389 1333 +CONECT 1433 1334 +CONECT 1435 1334 +CONECT 1445 1333 +CONECT 1451 1334 +MASTER 470 0 7 5 9 0 13 6 1481 1 54 16 +END diff --git a/test_files/3eiy.cif.gz b/test_files/3eiy.cif.gz new file mode 100644 index 000000000..12b4335f7 Binary files /dev/null and b/test_files/3eiy.cif.gz differ diff --git a/test_files/3eiy.pdb.gz b/test_files/3eiy.pdb.gz new file mode 100644 index 000000000..932482b5a Binary files /dev/null and b/test_files/3eiy.pdb.gz differ diff --git a/test_files/esmfold.pdb b/test_files/esmfold.pdb new file mode 100644 index 000000000..58eb30bd6 --- /dev/null +++ b/test_files/esmfold.pdb @@ -0,0 +1,2173 @@ +HEADER 18-OCT-22 +TITLE ESMFOLD V1 PREDICTION FOR INPUT +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH ZEMING LIN, HALIL AKIN, ROSHAN RAO, BRIAN HIE, ZHONGKAI ZHU, +REMARK 1 AUTH 2 WENTING LU, NIKITA SMETANIN, ALLAN DOS SANTOS COSTA, +REMARK 1 AUTH 3 MARYAM FAZEL-ZARANDI, TOM SERCU, SALVATORE CANDIDO, +REMARK 1 AUTH 4 ALEXANDER RIVES +REMARK 1 TITL LANGUAGE MODELS OF PROTEIN SEQUENCES AT THE SCALE OF +REMARK 1 TITL 2 EVOLUTION ENABLE ACCURATE STRUCTURE PREDICTION +REMARK 1 REF +REMARK 1 REFN +REMARK 1 PMID +REMARK 1 DOI 10.1101/2022.07.20.500902 +REMARK 1 +REMARK 1 LICENSE AND DISCLAIMERS +REMARK 1 ESM METAGENOMIC STRUCTURE ATLAS DATA IS AVAILABLE UNDER +REMARK 1 A CC-BY-4.0 LICENSE FOR ACADEMIC AND COMMERCIAL USE. +REMARK 1 COPYRIGHT (C) META PLATFORMS, INC. ALL RIGHTS RESERVED. +REMARK 1 USE OF THE ESM METAGENOMIC STRUCTURE ATLAS DATA IS SUBJECT +REMARK 1 TO THE META OPEN SOURCE TERMS OF USE AND PRIVACY POLICY. +ATOM 1 N GLY A 1 5.485 22.055 29.500 1.00 0.54 N +ATOM 2 CA GLY A 1 5.754 20.979 30.440 1.00 0.56 C +ATOM 3 C GLY A 1 5.944 21.465 31.864 1.00 0.58 C +ATOM 4 O GLY A 1 7.018 21.953 32.221 1.00 0.57 O +ATOM 5 N GLU A 2 4.852 21.673 32.569 1.00 0.72 N +ATOM 6 CA GLU A 2 4.836 22.260 33.905 1.00 0.73 C +ATOM 7 C GLU A 2 5.297 21.254 34.956 1.00 0.72 C +ATOM 8 CB GLU A 2 3.436 22.776 34.250 1.00 0.65 C +ATOM 9 O GLU A 2 5.794 21.639 36.016 1.00 0.67 O +ATOM 10 CG GLU A 2 3.013 23.993 33.441 1.00 0.62 C +ATOM 11 CD GLU A 2 1.721 24.623 33.936 1.00 0.62 C +ATOM 12 OE1 GLU A 2 0.967 23.957 34.681 1.00 0.70 O +ATOM 13 OE2 GLU A 2 1.460 25.793 33.576 1.00 0.69 O +ATOM 14 N ASN A 3 5.748 19.897 34.499 1.00 0.76 N +ATOM 15 CA ASN A 3 6.019 18.790 35.410 1.00 0.77 C +ATOM 16 C ASN A 3 7.288 18.039 35.018 1.00 0.77 C +ATOM 17 CB ASN A 3 4.828 17.830 35.457 1.00 0.70 C +ATOM 18 O ASN A 3 7.521 16.920 35.480 1.00 0.73 O +ATOM 19 CG ASN A 3 3.625 18.427 36.160 1.00 0.67 C +ATOM 20 ND2 ASN A 3 2.432 18.013 35.750 1.00 0.63 N +ATOM 21 OD1 ASN A 3 3.766 19.255 37.064 1.00 0.65 O +ATOM 22 N GLY A 4 8.085 18.691 34.135 1.00 0.81 N +ATOM 23 CA GLY A 4 9.298 18.030 33.682 1.00 0.81 C +ATOM 24 C GLY A 4 9.060 17.061 32.539 1.00 0.81 C +ATOM 25 O GLY A 4 9.820 16.108 32.358 1.00 0.79 O +ATOM 26 N GLU A 5 8.006 17.189 31.872 1.00 0.81 N +ATOM 27 CA GLU A 5 7.684 16.481 30.636 1.00 0.82 C +ATOM 28 C GLU A 5 8.581 16.938 29.489 1.00 0.83 C +ATOM 29 CB GLU A 5 6.213 16.685 30.267 1.00 0.79 C +ATOM 30 O GLU A 5 8.852 18.132 29.343 1.00 0.82 O +ATOM 31 CG GLU A 5 5.238 16.074 31.263 1.00 0.74 C +ATOM 32 CD GLU A 5 3.781 16.273 30.877 1.00 0.72 C +ATOM 33 OE1 GLU A 5 3.480 17.215 30.108 1.00 0.72 O +ATOM 34 OE2 GLU A 5 2.933 15.483 31.348 1.00 0.69 O +ATOM 35 N ILE A 6 9.057 16.028 28.778 1.00 0.84 N +ATOM 36 CA ILE A 6 9.943 16.262 27.642 1.00 0.85 C +ATOM 37 C ILE A 6 9.183 16.027 26.338 1.00 0.86 C +ATOM 38 CB ILE A 6 11.193 15.356 27.705 1.00 0.83 C +ATOM 39 O ILE A 6 8.454 15.042 26.206 1.00 0.85 O +ATOM 40 CG1 ILE A 6 11.938 15.565 29.028 1.00 0.76 C +ATOM 41 CG2 ILE A 6 12.113 15.622 26.510 1.00 0.74 C +ATOM 42 CD1 ILE A 6 13.115 14.620 29.231 1.00 0.73 C +ATOM 43 N PRO A 7 9.256 16.944 25.363 1.00 0.86 N +ATOM 44 CA PRO A 7 8.673 16.699 24.042 1.00 0.87 C +ATOM 45 C PRO A 7 9.201 15.421 23.393 1.00 0.88 C +ATOM 46 CB PRO A 7 9.090 17.932 23.238 1.00 0.86 C +ATOM 47 O PRO A 7 10.404 15.154 23.436 1.00 0.88 O +ATOM 48 CG PRO A 7 9.371 18.981 24.265 1.00 0.85 C +ATOM 49 CD PRO A 7 9.913 18.311 25.495 1.00 0.85 C +ATOM 50 N LEU A 8 8.303 14.661 22.763 1.00 0.87 N +ATOM 51 CA LEU A 8 8.643 13.433 22.052 1.00 0.88 C +ATOM 52 C LEU A 8 9.341 13.743 20.733 1.00 0.88 C +ATOM 53 CB LEU A 8 7.385 12.598 21.793 1.00 0.87 C +ATOM 54 O LEU A 8 8.777 14.421 19.871 1.00 0.88 O +ATOM 55 CG LEU A 8 7.602 11.229 21.147 1.00 0.85 C +ATOM 56 CD1 LEU A 8 8.266 10.276 22.135 1.00 0.82 C +ATOM 57 CD2 LEU A 8 6.278 10.656 20.651 1.00 0.82 C +ATOM 58 N GLU A 9 10.557 13.254 20.531 1.00 0.90 N +ATOM 59 CA GLU A 9 11.218 13.231 19.230 1.00 0.91 C +ATOM 60 C GLU A 9 10.748 12.045 18.393 1.00 0.91 C +ATOM 61 CB GLU A 9 12.739 13.185 19.400 1.00 0.89 C +ATOM 62 O GLU A 9 10.684 10.917 18.885 1.00 0.91 O +ATOM 63 CG GLU A 9 13.509 13.374 18.101 1.00 0.79 C +ATOM 64 CD GLU A 9 15.015 13.257 18.273 1.00 0.76 C +ATOM 65 OE1 GLU A 9 15.503 13.345 19.423 1.00 0.76 O +ATOM 66 OE2 GLU A 9 15.713 13.076 17.250 1.00 0.72 O +ATOM 67 N ILE A 10 10.460 12.241 17.146 1.00 0.91 N +ATOM 68 CA ILE A 10 9.964 11.208 16.243 1.00 0.92 C +ATOM 69 C ILE A 10 11.017 10.901 15.181 1.00 0.91 C +ATOM 70 CB ILE A 10 8.636 11.631 15.575 1.00 0.91 C +ATOM 71 O ILE A 10 11.547 11.812 14.542 1.00 0.90 O +ATOM 72 CG1 ILE A 10 7.573 11.928 16.639 1.00 0.86 C +ATOM 73 CG2 ILE A 10 8.152 10.550 14.603 1.00 0.86 C +ATOM 74 CD1 ILE A 10 7.243 10.740 17.532 1.00 0.83 C +ATOM 75 N ARG A 11 11.224 9.651 14.977 1.00 0.91 N +ATOM 76 CA ARG A 11 11.916 9.095 13.819 1.00 0.91 C +ATOM 77 C ARG A 11 11.046 8.066 13.103 1.00 0.90 C +ATOM 78 CB ARG A 11 13.242 8.458 14.239 1.00 0.89 C +ATOM 79 O ARG A 11 10.519 7.147 13.732 1.00 0.89 O +ATOM 80 CG ARG A 11 14.201 9.424 14.917 1.00 0.84 C +ATOM 81 CD ARG A 11 15.547 8.772 15.206 1.00 0.82 C +ATOM 82 NE ARG A 11 16.444 9.681 15.914 1.00 0.80 N +ATOM 83 NH1 ARG A 11 18.277 8.278 15.814 1.00 0.71 N +ATOM 84 NH2 ARG A 11 18.447 10.323 16.836 1.00 0.67 N +ATOM 85 CZ ARG A 11 17.721 9.425 16.187 1.00 0.77 C +ATOM 86 N ALA A 12 10.890 8.247 11.865 1.00 0.90 N +ATOM 87 CA ALA A 12 10.086 7.359 11.030 1.00 0.90 C +ATOM 88 C ALA A 12 10.878 6.881 9.816 1.00 0.89 C +ATOM 89 CB ALA A 12 8.807 8.063 10.583 1.00 0.89 C +ATOM 90 O ALA A 12 11.386 7.693 9.039 1.00 0.87 O +ATOM 91 N THR A 13 10.998 5.621 9.725 1.00 0.88 N +ATOM 92 CA THR A 13 11.638 4.950 8.600 1.00 0.87 C +ATOM 93 C THR A 13 10.636 4.079 7.848 1.00 0.86 C +ATOM 94 CB THR A 13 12.825 4.087 9.066 1.00 0.86 C +ATOM 95 O THR A 13 9.608 3.685 8.404 1.00 0.84 O +ATOM 96 CG2 THR A 13 13.922 4.947 9.685 1.00 0.81 C +ATOM 97 OG1 THR A 13 12.367 3.142 10.040 1.00 0.84 O +ATOM 98 N THR A 14 10.837 3.915 6.649 1.00 0.84 N +ATOM 99 CA THR A 14 10.151 2.892 5.868 1.00 0.83 C +ATOM 100 C THR A 14 11.033 1.657 5.701 1.00 0.82 C +ATOM 101 CB THR A 14 9.744 3.426 4.483 1.00 0.82 C +ATOM 102 O THR A 14 12.136 1.745 5.158 1.00 0.79 O +ATOM 103 CG2 THR A 14 8.701 4.533 4.605 1.00 0.75 C +ATOM 104 OG1 THR A 14 10.901 3.947 3.819 1.00 0.76 O +ATOM 105 N GLY A 15 10.639 0.557 6.323 1.00 0.75 N +ATOM 106 CA GLY A 15 11.285 -0.734 6.147 1.00 0.74 C +ATOM 107 C GLY A 15 10.837 -1.459 4.892 1.00 0.74 C +ATOM 108 O GLY A 15 9.678 -1.350 4.486 1.00 0.68 O +ATOM 109 N ALA A 16 11.692 -2.169 4.276 1.00 0.63 N +ATOM 110 CA ALA A 16 11.333 -3.387 3.554 1.00 0.62 C +ATOM 111 C ALA A 16 11.232 -4.578 4.504 1.00 0.63 C +ATOM 112 CB ALA A 16 12.352 -3.674 2.454 1.00 0.59 C +ATOM 113 O ALA A 16 12.083 -4.756 5.378 1.00 0.60 O +ATOM 114 N GLU A 17 10.108 -5.221 4.570 1.00 0.58 N +ATOM 115 CA GLU A 17 10.011 -6.530 5.209 1.00 0.58 C +ATOM 116 C GLU A 17 10.823 -7.576 4.451 1.00 0.58 C +ATOM 117 CB GLU A 17 8.549 -6.972 5.310 1.00 0.53 C +ATOM 118 O GLU A 17 10.314 -8.217 3.530 1.00 0.55 O +ATOM 119 CG GLU A 17 7.788 -6.322 6.457 1.00 0.51 C +ATOM 120 CD GLU A 17 6.408 -6.921 6.677 1.00 0.53 C +ATOM 121 OE1 GLU A 17 5.932 -7.685 5.807 1.00 0.57 O +ATOM 122 OE2 GLU A 17 5.798 -6.624 7.729 1.00 0.49 O +ATOM 123 N VAL A 18 12.169 -7.544 4.476 1.00 0.52 N +ATOM 124 CA VAL A 18 12.903 -8.634 3.842 1.00 0.54 C +ATOM 125 C VAL A 18 13.725 -9.382 4.889 1.00 0.54 C +ATOM 126 CB VAL A 18 13.822 -8.118 2.712 1.00 0.48 C +ATOM 127 O VAL A 18 14.586 -8.794 5.547 1.00 0.52 O +ATOM 128 CG1 VAL A 18 14.356 -9.280 1.877 1.00 0.41 C +ATOM 129 CG2 VAL A 18 13.073 -7.121 1.829 1.00 0.41 C +ATOM 130 N ASP A 19 13.491 -10.726 4.970 1.00 0.51 N +ATOM 131 CA ASP A 19 13.832 -11.860 5.824 1.00 0.53 C +ATOM 132 C ASP A 19 15.300 -12.248 5.662 1.00 0.52 C +ATOM 133 CB ASP A 19 12.934 -13.059 5.508 1.00 0.45 C +ATOM 134 O ASP A 19 15.744 -13.261 6.206 1.00 0.50 O +ATOM 135 CG ASP A 19 12.514 -13.828 6.749 1.00 0.43 C +ATOM 136 OD1 ASP A 19 13.059 -13.565 7.843 1.00 0.45 O +ATOM 137 OD2 ASP A 19 11.634 -14.707 6.630 1.00 0.49 O +ATOM 138 N THR A 20 16.293 -11.354 5.136 1.00 0.55 N +ATOM 139 CA THR A 20 17.578 -12.015 5.335 1.00 0.57 C +ATOM 140 C THR A 20 18.729 -11.078 4.982 1.00 0.56 C +ATOM 141 CB THR A 20 17.681 -13.300 4.493 1.00 0.48 C +ATOM 142 O THR A 20 19.898 -11.456 5.082 1.00 0.53 O +ATOM 143 CG2 THR A 20 16.709 -14.364 4.992 1.00 0.38 C +ATOM 144 OG1 THR A 20 17.377 -12.994 3.127 1.00 0.47 O +ATOM 145 N ARG A 21 18.495 -9.825 4.664 1.00 0.63 N +ATOM 146 CA ARG A 21 19.547 -8.850 4.398 1.00 0.64 C +ATOM 147 C ARG A 21 19.247 -7.520 5.081 1.00 0.63 C +ATOM 148 CB ARG A 21 19.717 -8.639 2.892 1.00 0.57 C +ATOM 149 O ARG A 21 18.123 -7.019 5.008 1.00 0.58 O +ATOM 150 CG ARG A 21 20.264 -9.853 2.158 1.00 0.53 C +ATOM 151 CD ARG A 21 20.497 -9.562 0.681 1.00 0.55 C +ATOM 152 NE ARG A 21 20.930 -10.754 -0.041 1.00 0.41 N +ATOM 153 NH1 ARG A 21 21.215 -9.677 -2.065 1.00 0.32 N +ATOM 154 NH2 ARG A 21 21.642 -11.922 -1.887 1.00 0.28 N +ATOM 155 CZ ARG A 21 21.261 -10.782 -1.329 1.00 0.48 C +ATOM 156 N ALA A 22 20.237 -7.039 5.915 1.00 0.65 N +ATOM 157 CA ALA A 22 20.150 -5.717 6.530 1.00 0.66 C +ATOM 158 C ALA A 22 19.758 -4.659 5.502 1.00 0.65 C +ATOM 159 CB ALA A 22 21.477 -5.349 7.189 1.00 0.59 C +ATOM 160 O ALA A 22 20.622 -3.984 4.937 1.00 0.62 O +ATOM 161 N VAL A 23 18.593 -4.592 5.051 1.00 0.64 N +ATOM 162 CA VAL A 23 18.101 -3.403 4.364 1.00 0.65 C +ATOM 163 C VAL A 23 18.143 -2.205 5.310 1.00 0.64 C +ATOM 164 CB VAL A 23 16.666 -3.610 3.830 1.00 0.60 C +ATOM 165 O VAL A 23 17.605 -2.262 6.418 1.00 0.62 O +ATOM 166 CG1 VAL A 23 16.215 -2.401 3.011 1.00 0.50 C +ATOM 167 CG2 VAL A 23 16.587 -4.885 2.993 1.00 0.51 C +ATOM 168 N THR A 24 18.897 -1.214 4.848 1.00 0.71 N +ATOM 169 CA THR A 24 18.916 0.065 5.548 1.00 0.73 C +ATOM 170 C THR A 24 17.528 0.699 5.555 1.00 0.73 C +ATOM 171 CB THR A 24 19.924 1.037 4.908 1.00 0.67 C +ATOM 172 O THR A 24 16.982 1.021 4.498 1.00 0.72 O +ATOM 173 CG2 THR A 24 20.246 2.195 5.847 1.00 0.54 C +ATOM 174 OG1 THR A 24 21.134 0.331 4.606 1.00 0.70 O +ATOM 175 N ALA A 25 16.891 0.686 6.634 1.00 0.75 N +ATOM 176 CA ALA A 25 15.686 1.497 6.789 1.00 0.77 C +ATOM 177 C ALA A 25 15.876 2.884 6.183 1.00 0.78 C +ATOM 178 CB ALA A 25 15.307 1.611 8.264 1.00 0.74 C +ATOM 179 O ALA A 25 16.847 3.577 6.495 1.00 0.78 O +ATOM 180 N VAL A 26 15.024 3.193 5.143 1.00 0.75 N +ATOM 181 CA VAL A 26 15.068 4.508 4.512 1.00 0.78 C +ATOM 182 C VAL A 26 14.241 5.500 5.327 1.00 0.80 C +ATOM 183 CB VAL A 26 14.554 4.457 3.055 1.00 0.74 C +ATOM 184 O VAL A 26 13.050 5.282 5.559 1.00 0.80 O +ATOM 185 CG1 VAL A 26 14.631 5.837 2.407 1.00 0.70 C +ATOM 186 CG2 VAL A 26 15.352 3.437 2.245 1.00 0.68 C +ATOM 187 N GLU A 27 14.867 6.504 5.795 1.00 0.77 N +ATOM 188 CA GLU A 27 14.173 7.556 6.531 1.00 0.81 C +ATOM 189 C GLU A 27 13.123 8.239 5.659 1.00 0.81 C +ATOM 190 CB GLU A 27 15.169 8.590 7.061 1.00 0.76 C +ATOM 191 O GLU A 27 13.407 8.623 4.522 1.00 0.80 O +ATOM 192 CG GLU A 27 14.563 9.582 8.042 1.00 0.72 C +ATOM 193 CD GLU A 27 15.589 10.515 8.664 1.00 0.70 C +ATOM 194 OE1 GLU A 27 16.798 10.368 8.374 1.00 0.77 O +ATOM 195 OE2 GLU A 27 15.182 11.400 9.450 1.00 0.72 O +ATOM 196 N MET A 28 11.944 8.423 6.154 1.00 0.82 N +ATOM 197 CA MET A 28 10.933 9.253 5.506 1.00 0.84 C +ATOM 198 C MET A 28 11.343 10.722 5.523 1.00 0.84 C +ATOM 199 CB MET A 28 9.575 9.081 6.189 1.00 0.81 C +ATOM 200 O MET A 28 11.362 11.353 6.581 1.00 0.83 O +ATOM 201 CG MET A 28 8.908 7.746 5.899 1.00 0.77 C +ATOM 202 SD MET A 28 7.232 7.624 6.636 1.00 0.80 S +ATOM 203 CE MET A 28 6.340 8.819 5.602 1.00 0.70 C +ATOM 204 N THR A 29 11.611 11.310 4.333 1.00 0.81 N +ATOM 205 CA THR A 29 12.203 12.638 4.210 1.00 0.84 C +ATOM 206 C THR A 29 11.121 13.714 4.201 1.00 0.85 C +ATOM 207 CB THR A 29 13.056 12.753 2.933 1.00 0.81 C +ATOM 208 O THR A 29 11.383 14.869 4.541 1.00 0.84 O +ATOM 209 CG2 THR A 29 14.331 11.923 3.047 1.00 0.76 C +ATOM 210 OG1 THR A 29 12.294 12.287 1.813 1.00 0.81 O +ATOM 211 N GLU A 30 9.874 13.320 3.819 1.00 0.82 N +ATOM 212 CA GLU A 30 8.726 14.222 3.812 1.00 0.84 C +ATOM 213 C GLU A 30 7.420 13.456 4.004 1.00 0.82 C +ATOM 214 CB GLU A 30 8.679 15.022 2.508 1.00 0.80 C +ATOM 215 O GLU A 30 7.385 12.232 3.858 1.00 0.80 O +ATOM 216 CG GLU A 30 8.509 14.161 1.264 1.00 0.78 C +ATOM 217 CD GLU A 30 8.491 14.967 -0.025 1.00 0.77 C +ATOM 218 OE1 GLU A 30 8.584 16.214 0.037 1.00 0.80 O +ATOM 219 OE2 GLU A 30 8.383 14.346 -1.106 1.00 0.80 O +ATOM 220 N GLY A 31 6.380 14.261 4.505 1.00 0.86 N +ATOM 221 CA GLY A 31 5.065 13.646 4.590 1.00 0.86 C +ATOM 222 C GLY A 31 4.315 14.013 5.856 1.00 0.87 C +ATOM 223 O GLY A 31 4.662 14.984 6.531 1.00 0.86 O +ATOM 224 N THR A 32 3.209 13.283 6.110 1.00 0.88 N +ATOM 225 CA THR A 32 2.396 13.430 7.312 1.00 0.89 C +ATOM 226 C THR A 32 2.265 12.097 8.043 1.00 0.88 C +ATOM 227 CB THR A 32 0.995 13.974 6.976 1.00 0.87 C +ATOM 228 O THR A 32 2.046 11.058 7.416 1.00 0.87 O +ATOM 229 CG2 THR A 32 1.072 15.405 6.454 1.00 0.81 C +ATOM 230 OG1 THR A 32 0.394 13.143 5.975 1.00 0.83 O +ATOM 231 N LEU A 33 2.444 12.125 9.348 1.00 0.90 N +ATOM 232 CA LEU A 33 2.286 10.984 10.244 1.00 0.90 C +ATOM 233 C LEU A 33 1.144 11.219 11.227 1.00 0.90 C +ATOM 234 CB LEU A 33 3.586 10.717 11.007 1.00 0.88 C +ATOM 235 O LEU A 33 1.029 12.302 11.804 1.00 0.88 O +ATOM 236 CG LEU A 33 3.661 9.398 11.777 1.00 0.80 C +ATOM 237 CD1 LEU A 33 3.722 8.221 10.809 1.00 0.72 C +ATOM 238 CD2 LEU A 33 4.866 9.391 12.711 1.00 0.72 C +ATOM 239 N GLY A 34 0.265 10.316 11.385 1.00 0.87 N +ATOM 240 CA GLY A 34 -0.582 10.193 12.560 1.00 0.87 C +ATOM 241 C GLY A 34 0.021 9.316 13.641 1.00 0.87 C +ATOM 242 O GLY A 34 0.566 8.250 13.349 1.00 0.87 O +ATOM 243 N ILE A 35 -0.025 9.741 14.847 1.00 0.88 N +ATOM 244 CA ILE A 35 0.459 8.982 15.995 1.00 0.88 C +ATOM 245 C ILE A 35 -0.643 8.877 17.046 1.00 0.87 C +ATOM 246 CB ILE A 35 1.723 9.626 16.606 1.00 0.88 C +ATOM 247 O ILE A 35 -1.193 9.892 17.481 1.00 0.85 O +ATOM 248 CG1 ILE A 35 2.825 9.748 15.547 1.00 0.89 C +ATOM 249 CG2 ILE A 35 2.211 8.819 17.813 1.00 0.89 C +ATOM 250 CD1 ILE A 35 4.095 10.422 16.050 1.00 0.88 C +ATOM 251 N PHE A 36 -0.913 7.679 17.449 1.00 0.84 N +ATOM 252 CA PHE A 36 -1.767 7.388 18.594 1.00 0.84 C +ATOM 253 C PHE A 36 -0.930 7.075 19.829 1.00 0.84 C +ATOM 254 CB PHE A 36 -2.703 6.216 18.284 1.00 0.83 C +ATOM 255 O PHE A 36 0.012 6.283 19.762 1.00 0.83 O +ATOM 256 CG PHE A 36 -3.718 6.516 17.214 1.00 0.82 C +ATOM 257 CD1 PHE A 36 -4.872 7.232 17.511 1.00 0.80 C +ATOM 258 CD2 PHE A 36 -3.518 6.083 15.910 1.00 0.80 C +ATOM 259 CE1 PHE A 36 -5.812 7.511 16.523 1.00 0.79 C +ATOM 260 CE2 PHE A 36 -4.454 6.358 14.917 1.00 0.79 C +ATOM 261 CZ PHE A 36 -5.601 7.072 15.226 1.00 0.75 C +ATOM 262 N ARG A 37 -1.271 7.726 20.863 1.00 0.82 N +ATOM 263 CA ARG A 37 -0.844 7.295 22.190 1.00 0.81 C +ATOM 264 C ARG A 37 -1.842 6.314 22.795 1.00 0.81 C +ATOM 265 CB ARG A 37 -0.666 8.500 23.117 1.00 0.80 C +ATOM 266 O ARG A 37 -3.013 6.649 22.984 1.00 0.78 O +ATOM 267 CG ARG A 37 -0.088 8.151 24.479 1.00 0.78 C +ATOM 268 CD ARG A 37 0.117 9.390 25.339 1.00 0.76 C +ATOM 269 NE ARG A 37 0.582 9.044 26.679 1.00 0.71 N +ATOM 270 NH1 ARG A 37 0.317 11.170 27.544 1.00 0.70 N +ATOM 271 NH2 ARG A 37 1.104 9.476 28.874 1.00 0.68 N +ATOM 272 CZ ARG A 37 0.667 9.898 27.696 1.00 0.70 C +ATOM 273 N LEU A 38 -1.353 5.056 23.008 1.00 0.77 N +ATOM 274 CA LEU A 38 -2.160 4.008 23.623 1.00 0.76 C +ATOM 275 C LEU A 38 -2.027 4.040 25.142 1.00 0.76 C +ATOM 276 CB LEU A 38 -1.748 2.633 23.092 1.00 0.75 C +ATOM 277 O LEU A 38 -0.923 3.909 25.676 1.00 0.73 O +ATOM 278 CG LEU A 38 -1.767 2.459 21.573 1.00 0.72 C +ATOM 279 CD1 LEU A 38 -1.316 1.052 21.194 1.00 0.69 C +ATOM 280 CD2 LEU A 38 -3.159 2.746 21.019 1.00 0.69 C +ATOM 281 N PRO A 39 -3.067 4.373 25.814 1.00 0.71 N +ATOM 282 CA PRO A 39 -3.022 4.275 27.275 1.00 0.70 C +ATOM 283 C PRO A 39 -2.842 2.840 27.765 1.00 0.71 C +ATOM 284 CB PRO A 39 -4.380 4.833 27.708 1.00 0.68 C +ATOM 285 O PRO A 39 -3.170 1.893 27.046 1.00 0.68 O +ATOM 286 CG PRO A 39 -5.304 4.509 26.579 1.00 0.65 C +ATOM 287 CD PRO A 39 -4.509 4.483 25.305 1.00 0.64 C +ATOM 288 N GLU A 40 -2.282 2.654 28.923 1.00 0.67 N +ATOM 289 CA GLU A 40 -2.101 1.316 29.478 1.00 0.66 C +ATOM 290 C GLU A 40 -3.443 0.664 29.796 1.00 0.67 C +ATOM 291 CB GLU A 40 -1.230 1.369 30.736 1.00 0.64 C +ATOM 292 O GLU A 40 -3.615 -0.541 29.601 1.00 0.65 O +ATOM 293 CG GLU A 40 0.256 1.525 30.449 1.00 0.61 C +ATOM 294 CD GLU A 40 1.118 1.460 31.700 1.00 0.60 C +ATOM 295 OE1 GLU A 40 0.563 1.319 32.813 1.00 0.60 O +ATOM 296 OE2 GLU A 40 2.359 1.551 31.565 1.00 0.55 O +ATOM 297 N GLU A 41 -4.355 1.473 30.263 1.00 0.65 N +ATOM 298 CA GLU A 41 -5.510 0.829 30.882 1.00 0.64 C +ATOM 299 C GLU A 41 -6.815 1.325 30.266 1.00 0.64 C +ATOM 300 CB GLU A 41 -5.515 1.071 32.393 1.00 0.60 C +ATOM 301 O GLU A 41 -7.830 0.628 30.306 1.00 0.61 O +ATOM 302 CG GLU A 41 -4.331 0.451 33.120 1.00 0.57 C +ATOM 303 CD GLU A 41 -4.422 0.578 34.633 1.00 0.58 C +ATOM 304 OE1 GLU A 41 -5.344 1.263 35.130 1.00 0.60 O +ATOM 305 OE2 GLU A 41 -3.564 -0.012 35.326 1.00 0.54 O +ATOM 306 N ASP A 42 -6.777 2.605 29.680 1.00 0.62 N +ATOM 307 CA ASP A 42 -8.007 3.242 29.221 1.00 0.62 C +ATOM 308 C ASP A 42 -7.871 3.722 27.778 1.00 0.62 C +ATOM 309 CB ASP A 42 -8.379 4.413 30.132 1.00 0.56 C +ATOM 310 O ASP A 42 -7.405 4.836 27.530 1.00 0.58 O +ATOM 311 CG ASP A 42 -9.764 4.968 29.851 1.00 0.52 C +ATOM 312 OD1 ASP A 42 -10.447 4.466 28.932 1.00 0.55 O +ATOM 313 OD2 ASP A 42 -10.175 5.918 30.552 1.00 0.59 O +ATOM 314 N TYR A 43 -8.494 3.059 26.757 1.00 0.58 N +ATOM 315 CA TYR A 43 -8.499 3.339 25.326 1.00 0.58 C +ATOM 316 C TYR A 43 -9.554 4.382 24.978 1.00 0.59 C +ATOM 317 CB TYR A 43 -8.750 2.056 24.528 1.00 0.55 C +ATOM 318 O TYR A 43 -9.784 4.673 23.801 1.00 0.57 O +ATOM 319 CG TYR A 43 -7.646 1.035 24.658 1.00 0.52 C +ATOM 320 CD1 TYR A 43 -6.540 1.064 23.811 1.00 0.48 C +ATOM 321 CD2 TYR A 43 -7.707 0.039 25.626 1.00 0.49 C +ATOM 322 CE1 TYR A 43 -5.522 0.124 23.926 1.00 0.44 C +ATOM 323 CE2 TYR A 43 -6.695 -0.907 25.750 1.00 0.48 C +ATOM 324 OH TYR A 43 -4.602 -1.790 25.015 1.00 0.34 O +ATOM 325 CZ TYR A 43 -5.607 -0.856 24.897 1.00 0.46 C +ATOM 326 N THR A 44 -10.352 4.980 25.941 1.00 0.58 N +ATOM 327 CA THR A 44 -11.439 5.901 25.627 1.00 0.57 C +ATOM 328 C THR A 44 -10.890 7.259 25.200 1.00 0.58 C +ATOM 329 CB THR A 44 -12.383 6.081 26.831 1.00 0.53 C +ATOM 330 O THR A 44 -11.577 8.026 24.522 1.00 0.56 O +ATOM 331 CG2 THR A 44 -13.024 4.756 27.231 1.00 0.47 C +ATOM 332 OG1 THR A 44 -11.638 6.594 27.942 1.00 0.49 O +ATOM 333 N ALA A 45 -9.626 7.549 25.417 1.00 0.65 N +ATOM 334 CA ALA A 45 -9.065 8.870 25.145 1.00 0.64 C +ATOM 335 C ALA A 45 -7.912 8.782 24.150 1.00 0.66 C +ATOM 336 CB ALA A 45 -8.597 9.526 26.441 1.00 0.59 C +ATOM 337 O ALA A 45 -6.820 9.294 24.409 1.00 0.62 O +ATOM 338 N LEU A 46 -8.088 8.094 23.048 1.00 0.73 N +ATOM 339 CA LEU A 46 -7.003 8.037 22.073 1.00 0.72 C +ATOM 340 C LEU A 46 -6.867 9.364 21.334 1.00 0.73 C +ATOM 341 CB LEU A 46 -7.242 6.904 21.072 1.00 0.70 C +ATOM 342 O LEU A 46 -7.783 9.780 20.622 1.00 0.70 O +ATOM 343 CG LEU A 46 -7.179 5.481 21.630 1.00 0.66 C +ATOM 344 CD1 LEU A 46 -7.563 4.472 20.553 1.00 0.62 C +ATOM 345 CD2 LEU A 46 -5.788 5.182 22.179 1.00 0.62 C +ATOM 346 N GLU A 47 -5.889 10.002 21.518 1.00 0.78 N +ATOM 347 CA GLU A 47 -5.522 11.215 20.793 1.00 0.78 C +ATOM 348 C GLU A 47 -4.725 10.885 19.534 1.00 0.79 C +ATOM 349 CB GLU A 47 -4.718 12.157 21.692 1.00 0.77 C +ATOM 350 O GLU A 47 -3.784 10.089 19.579 1.00 0.78 O +ATOM 351 CG GLU A 47 -5.514 12.720 22.861 1.00 0.73 C +ATOM 352 CD GLU A 47 -4.722 13.703 23.708 1.00 0.71 C +ATOM 353 OE1 GLU A 47 -3.471 13.672 23.664 1.00 0.70 O +ATOM 354 OE2 GLU A 47 -5.358 14.511 24.421 1.00 0.66 O +ATOM 355 N ASN A 48 -5.205 11.378 18.390 1.00 0.82 N +ATOM 356 CA ASN A 48 -4.525 11.241 17.106 1.00 0.83 C +ATOM 357 C ASN A 48 -3.703 12.482 16.772 1.00 0.83 C +ATOM 358 CB ASN A 48 -5.535 10.957 15.992 1.00 0.82 C +ATOM 359 O ASN A 48 -4.236 13.463 16.250 1.00 0.82 O +ATOM 360 CG ASN A 48 -4.869 10.606 14.676 1.00 0.81 C +ATOM 361 ND2 ASN A 48 -5.652 10.575 13.604 1.00 0.82 N +ATOM 362 OD1 ASN A 48 -3.660 10.364 14.623 1.00 0.82 O +ATOM 363 N PHE A 49 -2.442 12.410 17.099 1.00 0.86 N +ATOM 364 CA PHE A 49 -1.513 13.520 16.925 1.00 0.87 C +ATOM 365 C PHE A 49 -0.975 13.558 15.500 1.00 0.88 C +ATOM 366 CB PHE A 49 -0.354 13.415 17.921 1.00 0.87 C +ATOM 367 O PHE A 49 -0.418 12.571 15.014 1.00 0.88 O +ATOM 368 CG PHE A 49 -0.793 13.355 19.359 1.00 0.87 C +ATOM 369 CD1 PHE A 49 -0.962 14.520 20.097 1.00 0.86 C +ATOM 370 CD2 PHE A 49 -1.037 12.134 19.973 1.00 0.86 C +ATOM 371 CE1 PHE A 49 -1.368 14.468 21.429 1.00 0.86 C +ATOM 372 CE2 PHE A 49 -1.443 12.074 21.303 1.00 0.86 C +ATOM 373 CZ PHE A 49 -1.607 13.242 22.029 1.00 0.85 C +ATOM 374 N ARG A 50 -1.118 14.669 14.827 1.00 0.89 N +ATOM 375 CA ARG A 50 -0.577 14.879 13.488 1.00 0.90 C +ATOM 376 C ARG A 50 0.829 15.468 13.551 1.00 0.91 C +ATOM 377 CB ARG A 50 -1.493 15.795 12.675 1.00 0.89 C +ATOM 378 O ARG A 50 1.034 16.537 14.131 1.00 0.91 O +ATOM 379 CG ARG A 50 -1.051 15.986 11.233 1.00 0.87 C +ATOM 380 CD ARG A 50 -2.020 16.869 10.459 1.00 0.87 C +ATOM 381 NE ARG A 50 -1.548 17.126 9.101 1.00 0.85 N +ATOM 382 NH1 ARG A 50 -3.285 18.543 8.543 1.00 0.81 N +ATOM 383 NH2 ARG A 50 -1.643 18.078 7.013 1.00 0.80 N +ATOM 384 CZ ARG A 50 -2.160 17.915 8.222 1.00 0.83 C +ATOM 385 N TYR A 51 1.766 14.831 12.846 1.00 0.92 N +ATOM 386 CA TYR A 51 3.119 15.334 12.639 1.00 0.93 C +ATOM 387 C TYR A 51 3.405 15.537 11.156 1.00 0.93 C +ATOM 388 CB TYR A 51 4.148 14.372 13.242 1.00 0.93 C +ATOM 389 O TYR A 51 2.977 14.738 10.320 1.00 0.92 O +ATOM 390 CG TYR A 51 4.304 14.509 14.737 1.00 0.93 C +ATOM 391 CD1 TYR A 51 5.431 15.116 15.287 1.00 0.91 C +ATOM 392 CD2 TYR A 51 3.326 14.031 15.603 1.00 0.91 C +ATOM 393 CE1 TYR A 51 5.580 15.243 16.664 1.00 0.91 C +ATOM 394 CE2 TYR A 51 3.464 14.152 16.982 1.00 0.91 C +ATOM 395 OH TYR A 51 4.735 14.882 18.866 1.00 0.89 O +ATOM 396 CZ TYR A 51 4.593 14.759 17.502 1.00 0.90 C +ATOM 397 N ASN A 52 4.121 16.566 10.844 1.00 0.93 N +ATOM 398 CA ASN A 52 4.573 16.912 9.501 1.00 0.93 C +ATOM 399 C ASN A 52 6.096 16.910 9.404 1.00 0.93 C +ATOM 400 CB ASN A 52 4.016 18.274 9.081 1.00 0.92 C +ATOM 401 O ASN A 52 6.783 17.302 10.350 1.00 0.92 O +ATOM 402 CG ASN A 52 2.513 18.369 9.255 1.00 0.88 C +ATOM 403 ND2 ASN A 52 2.070 19.321 10.068 1.00 0.91 N +ATOM 404 OD1 ASN A 52 1.757 17.594 8.664 1.00 0.89 O +ATOM 405 N ARG A 53 6.533 16.455 8.289 1.00 0.92 N +ATOM 406 CA ARG A 53 7.937 16.620 7.927 1.00 0.92 C +ATOM 407 C ARG A 53 8.077 17.228 6.536 1.00 0.91 C +ATOM 408 CB ARG A 53 8.669 15.277 7.988 1.00 0.91 C +ATOM 409 O ARG A 53 7.406 16.800 5.595 1.00 0.89 O +ATOM 410 CG ARG A 53 10.180 15.393 7.859 1.00 0.90 C +ATOM 411 CD ARG A 53 10.872 14.063 8.118 1.00 0.88 C +ATOM 412 NE ARG A 53 12.325 14.186 8.037 1.00 0.88 N +ATOM 413 NH1 ARG A 53 12.748 11.972 8.546 1.00 0.84 N +ATOM 414 NH2 ARG A 53 14.485 13.413 8.143 1.00 0.83 N +ATOM 415 CZ ARG A 53 13.183 13.190 8.242 1.00 0.86 C +ATOM 416 N VAL A 54 8.959 18.222 6.464 1.00 0.91 N +ATOM 417 CA VAL A 54 9.497 18.749 5.213 1.00 0.90 C +ATOM 418 C VAL A 54 10.927 18.253 5.016 1.00 0.90 C +ATOM 419 CB VAL A 54 9.459 20.293 5.185 1.00 0.88 C +ATOM 420 O VAL A 54 11.627 17.953 5.987 1.00 0.88 O +ATOM 421 CG1 VAL A 54 9.939 20.820 3.834 1.00 0.78 C +ATOM 422 CG2 VAL A 54 8.050 20.798 5.489 1.00 0.76 C +ATOM 423 N ALA A 55 11.396 18.108 3.746 1.00 0.84 N +ATOM 424 CA ALA A 55 12.729 17.605 3.423 1.00 0.86 C +ATOM 425 C ALA A 55 13.807 18.401 4.153 1.00 0.88 C +ATOM 426 CB ALA A 55 12.965 17.653 1.915 1.00 0.83 C +ATOM 427 O ALA A 55 13.817 19.633 4.106 1.00 0.88 O +ATOM 428 N GLY A 56 14.729 17.720 4.869 1.00 0.86 N +ATOM 429 CA GLY A 56 15.861 18.296 5.576 1.00 0.89 C +ATOM 430 C GLY A 56 15.514 18.769 6.975 1.00 0.88 C +ATOM 431 O GLY A 56 16.383 19.242 7.710 1.00 0.88 O +ATOM 432 N GLU A 57 14.286 18.575 7.442 1.00 0.91 N +ATOM 433 CA GLU A 57 13.867 18.988 8.778 1.00 0.92 C +ATOM 434 C GLU A 57 13.462 17.786 9.626 1.00 0.91 C +ATOM 435 CB GLU A 57 12.710 19.987 8.694 1.00 0.91 C +ATOM 436 O GLU A 57 13.136 16.724 9.092 1.00 0.89 O +ATOM 437 CG GLU A 57 13.058 21.271 7.954 1.00 0.89 C +ATOM 438 CD GLU A 57 11.990 22.345 8.082 1.00 0.86 C +ATOM 439 OE1 GLU A 57 11.055 22.178 8.898 1.00 0.88 O +ATOM 440 OE2 GLU A 57 12.089 23.362 7.360 1.00 0.89 O +ATOM 441 N ASN A 58 13.399 17.998 10.880 1.00 0.92 N +ATOM 442 CA ASN A 58 12.819 17.030 11.805 1.00 0.93 C +ATOM 443 C ASN A 58 11.295 17.025 11.728 1.00 0.94 C +ATOM 444 CB ASN A 58 13.278 17.314 13.237 1.00 0.92 C +ATOM 445 O ASN A 58 10.688 18.001 11.283 1.00 0.93 O +ATOM 446 CG ASN A 58 14.751 17.026 13.445 1.00 0.90 C +ATOM 447 ND2 ASN A 58 15.357 17.704 14.413 1.00 0.92 N +ATOM 448 OD1 ASN A 58 15.341 16.202 12.742 1.00 0.91 O +ATOM 449 N TRP A 59 10.664 15.963 12.237 1.00 0.91 N +ATOM 450 CA TRP A 59 9.214 15.888 12.376 1.00 0.94 C +ATOM 451 C TRP A 59 8.705 16.945 13.350 1.00 0.92 C +ATOM 452 CB TRP A 59 8.790 14.494 12.850 1.00 0.93 C +ATOM 453 O TRP A 59 9.215 17.067 14.467 1.00 0.89 O +ATOM 454 CG TRP A 59 8.977 13.419 11.821 1.00 0.92 C +ATOM 455 CD1 TRP A 59 10.056 12.591 11.682 1.00 0.89 C +ATOM 456 CD2 TRP A 59 8.058 13.060 10.785 1.00 0.90 C +ATOM 457 CE2 TRP A 59 8.646 12.004 10.054 1.00 0.92 C +ATOM 458 CE3 TRP A 59 6.794 13.528 10.404 1.00 0.88 C +ATOM 459 NE1 TRP A 59 9.863 11.737 10.621 1.00 0.89 N +ATOM 460 CH2 TRP A 59 6.774 11.885 8.610 1.00 0.89 C +ATOM 461 CZ2 TRP A 59 8.010 11.408 8.961 1.00 0.89 C +ATOM 462 CZ3 TRP A 59 6.163 12.934 9.317 1.00 0.89 C +ATOM 463 N LYS A 60 7.692 17.657 13.029 1.00 0.94 N +ATOM 464 CA LYS A 60 7.062 18.693 13.843 1.00 0.95 C +ATOM 465 C LYS A 60 5.573 18.415 14.031 1.00 0.94 C +ATOM 466 CB LYS A 60 7.262 20.070 13.209 1.00 0.94 C +ATOM 467 O LYS A 60 4.884 18.029 13.085 1.00 0.94 O +ATOM 468 CG LYS A 60 8.706 20.550 13.214 1.00 0.91 C +ATOM 469 CD LYS A 60 8.869 21.842 12.425 1.00 0.90 C +ATOM 470 CE LYS A 60 10.327 22.272 12.348 1.00 0.89 C +ATOM 471 NZ LYS A 60 10.544 23.311 11.297 1.00 0.89 N +ATOM 472 N PRO A 61 5.062 18.623 15.302 1.00 0.93 N +ATOM 473 CA PRO A 61 3.614 18.537 15.505 1.00 0.94 C +ATOM 474 C PRO A 61 2.849 19.636 14.770 1.00 0.94 C +ATOM 475 CB PRO A 61 3.461 18.686 17.021 1.00 0.93 C +ATOM 476 O PRO A 61 3.297 20.785 14.730 1.00 0.93 O +ATOM 477 CG PRO A 61 4.597 19.563 17.436 1.00 0.91 C +ATOM 478 CD PRO A 61 5.769 19.282 16.539 1.00 0.90 C +ATOM 479 N ALA A 62 1.676 19.317 14.213 1.00 0.93 N +ATOM 480 CA ALA A 62 0.834 20.276 13.503 1.00 0.93 C +ATOM 481 C ALA A 62 0.083 21.175 14.481 1.00 0.91 C +ATOM 482 CB ALA A 62 -0.150 19.548 12.591 1.00 0.91 C +ATOM 483 O ALA A 62 -0.208 22.333 14.172 1.00 0.88 O +ATOM 484 N SER A 63 -0.237 20.668 15.683 1.00 0.89 N +ATOM 485 CA SER A 63 -0.932 21.475 16.680 1.00 0.88 C +ATOM 486 C SER A 63 -0.447 21.152 18.089 1.00 0.86 C +ATOM 487 CB SER A 63 -2.443 21.255 16.589 1.00 0.86 C +ATOM 488 O SER A 63 -0.022 22.044 18.825 1.00 0.81 O +ATOM 489 OG SER A 63 -2.755 19.874 16.654 1.00 0.74 O +ATOM 490 N THR A 64 -0.503 19.951 18.534 1.00 0.87 N +ATOM 491 CA THR A 64 -0.220 19.472 19.883 1.00 0.87 C +ATOM 492 C THR A 64 1.018 18.580 19.891 1.00 0.87 C +ATOM 493 CB THR A 64 -1.418 18.699 20.464 1.00 0.85 C +ATOM 494 O THR A 64 1.155 17.692 19.047 1.00 0.86 O +ATOM 495 CG2 THR A 64 -1.183 18.340 21.928 1.00 0.79 C +ATOM 496 OG1 THR A 64 -2.596 19.509 20.365 1.00 0.77 O +ATOM 497 N VAL A 65 1.939 18.829 20.775 1.00 0.89 N +ATOM 498 CA VAL A 65 3.120 18.018 21.050 1.00 0.89 C +ATOM 499 C VAL A 65 2.743 16.842 21.947 1.00 0.87 C +ATOM 500 CB VAL A 65 4.241 18.853 21.709 1.00 0.86 C +ATOM 501 O VAL A 65 2.027 17.013 22.937 1.00 0.85 O +ATOM 502 CG1 VAL A 65 5.473 17.990 21.974 1.00 0.79 C +ATOM 503 CG2 VAL A 65 4.601 20.050 20.831 1.00 0.78 C +ATOM 504 N ILE A 66 3.171 15.697 21.574 1.00 0.87 N +ATOM 505 CA ILE A 66 3.160 14.591 22.526 1.00 0.87 C +ATOM 506 C ILE A 66 4.271 14.786 23.556 1.00 0.86 C +ATOM 507 CB ILE A 66 3.323 13.230 21.813 1.00 0.86 C +ATOM 508 O ILE A 66 5.439 14.947 23.195 1.00 0.84 O +ATOM 509 CG1 ILE A 66 2.190 13.018 20.802 1.00 0.86 C +ATOM 510 CG2 ILE A 66 3.367 12.088 22.833 1.00 0.85 C +ATOM 511 CD1 ILE A 66 2.396 11.821 19.883 1.00 0.83 C +ATOM 512 N TYR A 67 3.929 14.830 24.821 1.00 0.85 N +ATOM 513 CA TYR A 67 4.890 14.837 25.917 1.00 0.85 C +ATOM 514 C TYR A 67 4.992 13.459 26.561 1.00 0.84 C +ATOM 515 CB TYR A 67 4.498 15.877 26.971 1.00 0.84 C +ATOM 516 O TYR A 67 3.986 12.764 26.717 1.00 0.81 O +ATOM 517 CG TYR A 67 4.622 17.303 26.491 1.00 0.84 C +ATOM 518 CD1 TYR A 67 5.817 18.005 26.633 1.00 0.82 C +ATOM 519 CD2 TYR A 67 3.545 17.951 25.896 1.00 0.83 C +ATOM 520 CE1 TYR A 67 5.935 19.320 26.194 1.00 0.82 C +ATOM 521 CE2 TYR A 67 3.652 19.265 25.453 1.00 0.83 C +ATOM 522 OH TYR A 67 4.960 21.242 25.170 1.00 0.77 O +ATOM 523 CZ TYR A 67 4.849 19.940 25.606 1.00 0.80 C +ATOM 524 N VAL A 68 6.264 13.049 26.835 1.00 0.83 N +ATOM 525 CA VAL A 68 6.565 11.832 27.582 1.00 0.82 C +ATOM 526 C VAL A 68 6.884 12.181 29.034 1.00 0.81 C +ATOM 527 CB VAL A 68 7.741 11.054 26.950 1.00 0.80 C +ATOM 528 O VAL A 68 7.717 13.051 29.301 1.00 0.78 O +ATOM 529 CG1 VAL A 68 7.878 9.672 27.585 1.00 0.71 C +ATOM 530 CG2 VAL A 68 7.550 10.935 25.439 1.00 0.70 C +ATOM 531 N GLY A 69 6.120 11.516 29.972 1.00 0.77 N +ATOM 532 CA GLY A 69 6.215 11.680 31.414 1.00 0.76 C +ATOM 533 C GLY A 69 6.952 10.543 32.097 1.00 0.76 C +ATOM 534 O GLY A 69 7.896 9.983 31.536 1.00 0.72 O +ATOM 535 N GLY A 70 6.567 10.248 33.235 1.00 0.72 N +ATOM 536 CA GLY A 70 7.195 9.218 34.048 1.00 0.71 C +ATOM 537 C GLY A 70 6.633 7.832 33.793 1.00 0.71 C +ATOM 538 O GLY A 70 7.040 6.863 34.438 1.00 0.68 O +ATOM 539 N THR A 71 5.694 7.775 32.882 1.00 0.73 N +ATOM 540 CA THR A 71 5.104 6.483 32.550 1.00 0.72 C +ATOM 541 C THR A 71 5.400 6.110 31.100 1.00 0.74 C +ATOM 542 CB THR A 71 3.581 6.488 32.781 1.00 0.70 C +ATOM 543 O THR A 71 5.663 6.983 30.271 1.00 0.72 O +ATOM 544 CG2 THR A 71 3.250 6.653 34.260 1.00 0.67 C +ATOM 545 OG1 THR A 71 2.996 7.570 32.047 1.00 0.67 O +ATOM 546 N TYR A 72 5.376 4.898 30.854 1.00 0.73 N +ATOM 547 CA TYR A 72 5.537 4.360 29.508 1.00 0.73 C +ATOM 548 C TYR A 72 4.308 4.651 28.654 1.00 0.74 C +ATOM 549 CB TYR A 72 5.792 2.851 29.558 1.00 0.69 C +ATOM 550 O TYR A 72 3.176 4.583 29.141 1.00 0.71 O +ATOM 551 CG TYR A 72 7.097 2.478 30.218 1.00 0.65 C +ATOM 552 CD1 TYR A 72 8.313 2.685 29.570 1.00 0.61 C +ATOM 553 CD2 TYR A 72 7.118 1.917 31.491 1.00 0.64 C +ATOM 554 CE1 TYR A 72 9.518 2.341 30.173 1.00 0.58 C +ATOM 555 CE2 TYR A 72 8.317 1.570 32.104 1.00 0.59 C +ATOM 556 OH TYR A 72 10.700 1.443 32.041 1.00 0.46 O +ATOM 557 CZ TYR A 72 9.510 1.786 31.439 1.00 0.56 C +ATOM 558 N ALA A 73 4.644 5.059 27.470 1.00 0.77 N +ATOM 559 CA ALA A 73 3.573 5.167 26.483 1.00 0.77 C +ATOM 560 C ALA A 73 3.826 4.242 25.296 1.00 0.78 C +ATOM 561 CB ALA A 73 3.431 6.611 26.007 1.00 0.75 C +ATOM 562 O ALA A 73 4.891 4.294 24.676 1.00 0.76 O +ATOM 563 N ARG A 74 2.901 3.383 25.056 1.00 0.80 N +ATOM 564 CA ARG A 74 2.886 2.699 23.766 1.00 0.80 C +ATOM 565 C ARG A 74 2.308 3.597 22.677 1.00 0.81 C +ATOM 566 CB ARG A 74 2.082 1.400 23.856 1.00 0.78 C +ATOM 567 O ARG A 74 1.219 4.152 22.836 1.00 0.80 O +ATOM 568 CG ARG A 74 2.217 0.507 22.633 1.00 0.73 C +ATOM 569 CD ARG A 74 1.512 -0.828 22.829 1.00 0.70 C +ATOM 570 NE ARG A 74 1.519 -1.626 21.606 1.00 0.64 N +ATOM 571 NH1 ARG A 74 0.158 -3.295 22.442 1.00 0.57 N +ATOM 572 NH2 ARG A 74 0.949 -3.423 20.294 1.00 0.52 N +ATOM 573 CZ ARG A 74 0.875 -2.779 21.450 1.00 0.63 C +ATOM 574 N LEU A 75 3.083 3.750 21.610 1.00 0.84 N +ATOM 575 CA LEU A 75 2.698 4.598 20.487 1.00 0.84 C +ATOM 576 C LEU A 75 2.491 3.767 19.225 1.00 0.84 C +ATOM 577 CB LEU A 75 3.761 5.671 20.237 1.00 0.84 C +ATOM 578 O LEU A 75 3.259 2.841 18.954 1.00 0.83 O +ATOM 579 CG LEU A 75 4.099 6.580 21.420 1.00 0.84 C +ATOM 580 CD1 LEU A 75 5.220 7.544 21.045 1.00 0.83 C +ATOM 581 CD2 LEU A 75 2.862 7.342 21.879 1.00 0.83 C +ATOM 582 N CYS A 76 1.530 4.117 18.433 1.00 0.85 N +ATOM 583 CA CYS A 76 1.309 3.601 17.087 1.00 0.85 C +ATOM 584 C CYS A 76 1.307 4.731 16.063 1.00 0.86 C +ATOM 585 CB CYS A 76 -0.011 2.834 17.016 1.00 0.83 C +ATOM 586 O CYS A 76 0.729 5.792 16.305 1.00 0.85 O +ATOM 587 SG CYS A 76 -0.105 1.441 18.162 1.00 0.75 S +ATOM 588 N ALA A 77 1.936 4.438 14.971 1.00 0.87 N +ATOM 589 CA ALA A 77 2.008 5.445 13.915 1.00 0.87 C +ATOM 590 C ALA A 77 1.421 4.914 12.610 1.00 0.87 C +ATOM 591 CB ALA A 77 3.453 5.891 13.702 1.00 0.86 C +ATOM 592 O ALA A 77 1.456 3.709 12.352 1.00 0.86 O +ATOM 593 N TYR A 78 0.969 5.810 11.837 1.00 0.85 N +ATOM 594 CA TYR A 78 0.545 5.514 10.473 1.00 0.85 C +ATOM 595 C TYR A 78 0.834 6.687 9.545 1.00 0.86 C +ATOM 596 CB TYR A 78 -0.949 5.175 10.436 1.00 0.85 C +ATOM 597 O TYR A 78 0.943 7.830 9.994 1.00 0.85 O +ATOM 598 CG TYR A 78 -1.846 6.350 10.738 1.00 0.84 C +ATOM 599 CD1 TYR A 78 -2.101 6.738 12.051 1.00 0.83 C +ATOM 600 CD2 TYR A 78 -2.441 7.076 9.711 1.00 0.83 C +ATOM 601 CE1 TYR A 78 -2.928 7.819 12.334 1.00 0.82 C +ATOM 602 CE2 TYR A 78 -3.270 8.159 9.982 1.00 0.83 C +ATOM 603 OH TYR A 78 -4.327 9.594 11.570 1.00 0.78 O +ATOM 604 CZ TYR A 78 -3.507 8.523 11.295 1.00 0.79 C +ATOM 605 N ALA A 79 0.975 6.395 8.252 1.00 0.86 N +ATOM 606 CA ALA A 79 1.239 7.386 7.211 1.00 0.86 C +ATOM 607 C ALA A 79 0.474 7.055 5.933 1.00 0.85 C +ATOM 608 CB ALA A 79 2.736 7.471 6.925 1.00 0.85 C +ATOM 609 O ALA A 79 0.285 5.883 5.601 1.00 0.83 O +ATOM 610 N PRO A 80 0.172 8.142 5.090 1.00 0.82 N +ATOM 611 CA PRO A 80 0.047 9.559 5.439 1.00 0.82 C +ATOM 612 C PRO A 80 -1.075 9.824 6.440 1.00 0.82 C +ATOM 613 CB PRO A 80 -0.251 10.228 4.095 1.00 0.81 C +ATOM 614 O PRO A 80 -2.014 9.031 6.544 1.00 0.81 O +ATOM 615 CG PRO A 80 -0.995 9.196 3.312 1.00 0.79 C +ATOM 616 CD PRO A 80 -0.458 7.842 3.675 1.00 0.79 C +ATOM 617 N TYR A 81 -0.909 10.965 7.214 1.00 0.84 N +ATOM 618 CA TYR A 81 -1.988 11.454 8.064 1.00 0.84 C +ATOM 619 C TYR A 81 -3.255 11.696 7.252 1.00 0.81 C +ATOM 620 CB TYR A 81 -1.570 12.744 8.776 1.00 0.82 C +ATOM 621 O TYR A 81 -3.191 12.183 6.121 1.00 0.76 O +ATOM 622 CG TYR A 81 -2.629 13.299 9.697 1.00 0.82 C +ATOM 623 CD1 TYR A 81 -2.786 12.802 10.989 1.00 0.79 C +ATOM 624 CD2 TYR A 81 -3.473 14.321 9.278 1.00 0.80 C +ATOM 625 CE1 TYR A 81 -3.762 13.309 11.841 1.00 0.81 C +ATOM 626 CE2 TYR A 81 -4.452 14.837 10.122 1.00 0.81 C +ATOM 627 OH TYR A 81 -5.556 14.831 12.238 1.00 0.72 O +ATOM 628 CZ TYR A 81 -4.588 14.325 11.399 1.00 0.78 C +ATOM 629 N ASN A 82 -4.531 11.396 7.778 1.00 0.75 N +ATOM 630 CA ASN A 82 -5.893 11.491 7.263 1.00 0.73 C +ATOM 631 C ASN A 82 -6.143 10.476 6.151 1.00 0.73 C +ATOM 632 CB ASN A 82 -6.181 12.908 6.763 1.00 0.68 C +ATOM 633 O ASN A 82 -7.074 10.633 5.359 1.00 0.67 O +ATOM 634 CG ASN A 82 -6.414 13.890 7.895 1.00 0.61 C +ATOM 635 ND2 ASN A 82 -6.459 15.175 7.564 1.00 0.53 N +ATOM 636 OD1 ASN A 82 -6.551 13.497 9.056 1.00 0.57 O +ATOM 637 N SER A 83 -5.337 9.492 6.109 1.00 0.56 N +ATOM 638 CA SER A 83 -5.610 8.452 5.123 1.00 0.55 C +ATOM 639 C SER A 83 -6.505 7.362 5.702 1.00 0.56 C +ATOM 640 CB SER A 83 -4.304 7.836 4.618 1.00 0.48 C +ATOM 641 O SER A 83 -6.939 6.460 4.983 1.00 0.52 O +ATOM 642 OG SER A 83 -3.486 7.434 5.702 1.00 0.41 O +ATOM 643 N VAL A 84 -6.800 7.513 6.966 1.00 0.60 N +ATOM 644 CA VAL A 84 -7.521 6.415 7.602 1.00 0.60 C +ATOM 645 C VAL A 84 -8.806 6.940 8.239 1.00 0.61 C +ATOM 646 CB VAL A 84 -6.652 5.705 8.664 1.00 0.56 C +ATOM 647 O VAL A 84 -8.802 7.993 8.882 1.00 0.59 O +ATOM 648 CG1 VAL A 84 -7.338 4.433 9.161 1.00 0.49 C +ATOM 649 CG2 VAL A 84 -5.272 5.383 8.094 1.00 0.50 C +ATOM 650 N GLU A 85 -9.906 6.452 7.865 1.00 0.60 N +ATOM 651 CA GLU A 85 -11.086 6.562 8.717 1.00 0.60 C +ATOM 652 C GLU A 85 -11.001 5.605 9.903 1.00 0.61 C +ATOM 653 CB GLU A 85 -12.359 6.288 7.911 1.00 0.56 C +ATOM 654 O GLU A 85 -10.911 4.389 9.722 1.00 0.58 O +ATOM 655 CG GLU A 85 -12.717 7.397 6.933 1.00 0.53 C +ATOM 656 CD GLU A 85 -14.037 7.161 6.215 1.00 0.55 C +ATOM 657 OE1 GLU A 85 -14.669 6.104 6.440 1.00 0.55 O +ATOM 658 OE2 GLU A 85 -14.441 8.039 5.421 1.00 0.50 O +ATOM 659 N PHE A 86 -10.684 6.121 11.045 1.00 0.62 N +ATOM 660 CA PHE A 86 -10.848 5.324 12.254 1.00 0.61 C +ATOM 661 C PHE A 86 -12.324 5.162 12.601 1.00 0.62 C +ATOM 662 CB PHE A 86 -10.101 5.965 13.428 1.00 0.58 C +ATOM 663 O PHE A 86 -13.030 6.151 12.806 1.00 0.60 O +ATOM 664 CG PHE A 86 -8.605 5.973 13.263 1.00 0.55 C +ATOM 665 CD1 PHE A 86 -7.845 4.868 13.626 1.00 0.53 C +ATOM 666 CD2 PHE A 86 -7.958 7.088 12.744 1.00 0.55 C +ATOM 667 CE1 PHE A 86 -6.461 4.873 13.474 1.00 0.55 C +ATOM 668 CE2 PHE A 86 -6.575 7.100 12.590 1.00 0.54 C +ATOM 669 CZ PHE A 86 -5.828 5.992 12.956 1.00 0.54 C +ATOM 670 N LYS A 87 -12.949 4.125 12.172 1.00 0.52 N +ATOM 671 CA LYS A 87 -14.292 3.890 12.695 1.00 0.52 C +ATOM 672 C LYS A 87 -14.323 4.031 14.214 1.00 0.52 C +ATOM 673 CB LYS A 87 -14.791 2.503 12.287 1.00 0.49 C +ATOM 674 O LYS A 87 -13.638 3.294 14.926 1.00 0.50 O +ATOM 675 CG LYS A 87 -15.172 2.389 10.819 1.00 0.47 C +ATOM 676 CD LYS A 87 -15.806 1.039 10.508 1.00 0.48 C +ATOM 677 CE LYS A 87 -16.156 0.911 9.032 1.00 0.43 C +ATOM 678 NZ LYS A 87 -16.726 -0.432 8.713 1.00 0.41 N +ATOM 679 N ASN A 88 -14.245 5.423 14.690 1.00 0.42 N +ATOM 680 CA ASN A 88 -14.676 6.115 15.900 1.00 0.45 C +ATOM 681 C ASN A 88 -16.062 5.658 16.345 1.00 0.42 C +ATOM 682 CB ASN A 88 -14.660 7.630 15.685 1.00 0.37 C +ATOM 683 O ASN A 88 -17.064 5.989 15.708 1.00 0.41 O +ATOM 684 CG ASN A 88 -13.278 8.229 15.852 1.00 0.36 C +ATOM 685 ND2 ASN A 88 -13.097 9.450 15.362 1.00 0.31 N +ATOM 686 OD1 ASN A 88 -12.379 7.600 16.417 1.00 0.37 O +ATOM 687 N SER A 89 -16.022 4.542 17.519 1.00 0.38 N +ATOM 688 CA SER A 89 -16.731 4.967 18.722 1.00 0.39 C +ATOM 689 C SER A 89 -16.566 3.953 19.849 1.00 0.38 C +ATOM 690 CB SER A 89 -18.217 5.173 18.424 1.00 0.34 C +ATOM 691 O SER A 89 -16.808 4.269 21.015 1.00 0.36 O +ATOM 692 OG SER A 89 -18.794 3.988 17.902 1.00 0.30 O +ATOM 693 N SER A 90 -15.639 2.964 19.706 1.00 0.41 N +ATOM 694 CA SER A 90 -15.352 2.143 20.878 1.00 0.40 C +ATOM 695 C SER A 90 -13.969 1.509 20.783 1.00 0.41 C +ATOM 696 CB SER A 90 -16.412 1.054 21.043 1.00 0.37 C +ATOM 697 O SER A 90 -13.833 0.367 20.338 1.00 0.39 O +ATOM 698 OG SER A 90 -16.492 0.249 19.879 1.00 0.34 O +ATOM 699 N LEU A 91 -12.998 2.184 20.411 1.00 0.43 N +ATOM 700 CA LEU A 91 -11.680 1.681 20.784 1.00 0.44 C +ATOM 701 C LEU A 91 -11.694 1.121 22.203 1.00 0.44 C +ATOM 702 CB LEU A 91 -10.631 2.789 20.670 1.00 0.40 C +ATOM 703 O LEU A 91 -10.639 0.951 22.818 1.00 0.42 O +ATOM 704 CG LEU A 91 -10.326 3.293 19.258 1.00 0.38 C +ATOM 705 CD1 LEU A 91 -9.423 4.520 19.316 1.00 0.34 C +ATOM 706 CD2 LEU A 91 -9.684 2.189 18.424 1.00 0.37 C +ATOM 707 N LYS A 92 -12.939 1.120 22.796 1.00 0.39 N +ATOM 708 CA LYS A 92 -13.123 0.510 24.110 1.00 0.40 C +ATOM 709 C LYS A 92 -12.674 -0.948 24.107 1.00 0.40 C +ATOM 710 CB LYS A 92 -14.585 0.608 24.548 1.00 0.36 C +ATOM 711 O LYS A 92 -12.646 -1.597 25.155 1.00 0.38 O +ATOM 712 CG LYS A 92 -14.985 1.980 25.069 1.00 0.34 C +ATOM 713 CD LYS A 92 -16.366 1.954 25.710 1.00 0.39 C +ATOM 714 CE LYS A 92 -16.732 3.306 26.308 1.00 0.29 C +ATOM 715 NZ LYS A 92 -17.998 3.239 27.097 1.00 0.30 N +ATOM 716 N THR A 93 -12.417 -1.501 22.903 1.00 0.39 N +ATOM 717 CA THR A 93 -12.001 -2.899 22.895 1.00 0.40 C +ATOM 718 C THR A 93 -10.563 -3.033 22.400 1.00 0.39 C +ATOM 719 CB THR A 93 -12.931 -3.754 22.014 1.00 0.35 C +ATOM 720 O THR A 93 -10.101 -2.223 21.593 1.00 0.37 O +ATOM 721 CG2 THR A 93 -14.324 -3.860 22.627 1.00 0.31 C +ATOM 722 OG1 THR A 93 -13.036 -3.154 20.717 1.00 0.30 O +ATOM 723 N GLU A 94 -9.719 -3.662 23.203 1.00 0.45 N +ATOM 724 CA GLU A 94 -8.498 -4.219 22.629 1.00 0.45 C +ATOM 725 C GLU A 94 -8.622 -4.379 21.116 1.00 0.45 C +ATOM 726 CB GLU A 94 -8.165 -5.566 23.275 1.00 0.40 C +ATOM 727 O GLU A 94 -7.774 -5.009 20.482 1.00 0.42 O +ATOM 728 CG GLU A 94 -7.810 -5.470 24.751 1.00 0.37 C +ATOM 729 CD GLU A 94 -7.398 -6.802 25.358 1.00 0.39 C +ATOM 730 OE1 GLU A 94 -7.494 -7.840 24.664 1.00 0.43 O +ATOM 731 OE2 GLU A 94 -6.978 -6.807 26.536 1.00 0.38 O +ATOM 732 N ALA A 95 -9.929 -4.047 20.616 1.00 0.43 N +ATOM 733 CA ALA A 95 -10.161 -4.349 19.206 1.00 0.43 C +ATOM 734 C ALA A 95 -9.361 -3.412 18.305 1.00 0.43 C +ATOM 735 CB ALA A 95 -11.650 -4.253 18.879 1.00 0.39 C +ATOM 736 O ALA A 95 -9.682 -3.251 17.125 1.00 0.41 O +ATOM 737 N GLY A 96 -8.242 -2.781 18.705 1.00 0.56 N +ATOM 738 CA GLY A 96 -7.143 -2.326 17.868 1.00 0.54 C +ATOM 739 C GLY A 96 -7.524 -1.174 16.957 1.00 0.56 C +ATOM 740 O GLY A 96 -8.706 -0.855 16.813 1.00 0.53 O +ATOM 741 N LEU A 97 -6.759 -0.164 16.717 1.00 0.58 N +ATOM 742 CA LEU A 97 -6.793 0.943 15.767 1.00 0.59 C +ATOM 743 C LEU A 97 -6.930 0.428 14.337 1.00 0.60 C +ATOM 744 CB LEU A 97 -5.530 1.798 15.894 1.00 0.52 C +ATOM 745 O LEU A 97 -5.928 0.155 13.673 1.00 0.57 O +ATOM 746 CG LEU A 97 -5.385 2.605 17.185 1.00 0.48 C +ATOM 747 CD1 LEU A 97 -3.973 3.168 17.304 1.00 0.38 C +ATOM 748 CD2 LEU A 97 -6.418 3.726 17.234 1.00 0.44 C +ATOM 749 N THR A 98 -8.270 0.041 14.056 1.00 0.56 N +ATOM 750 CA THR A 98 -8.507 -0.503 12.724 1.00 0.57 C +ATOM 751 C THR A 98 -8.530 0.611 11.681 1.00 0.57 C +ATOM 752 CB THR A 98 -9.830 -1.289 12.669 1.00 0.53 C +ATOM 753 O THR A 98 -9.275 1.583 11.820 1.00 0.56 O +ATOM 754 CG2 THR A 98 -9.661 -2.599 11.907 1.00 0.45 C +ATOM 755 OG1 THR A 98 -10.264 -1.578 14.004 1.00 0.46 O +ATOM 756 N MET A 99 -7.721 0.596 10.755 1.00 0.53 N +ATOM 757 CA MET A 99 -7.660 1.443 9.567 1.00 0.54 C +ATOM 758 C MET A 99 -8.372 0.782 8.391 1.00 0.55 C +ATOM 759 CB MET A 99 -6.208 1.746 9.196 1.00 0.48 C +ATOM 760 O MET A 99 -8.191 -0.411 8.141 1.00 0.53 O +ATOM 761 CG MET A 99 -6.061 2.756 8.070 1.00 0.44 C +ATOM 762 SD MET A 99 -4.311 3.020 7.586 1.00 0.47 S +ATOM 763 CE MET A 99 -3.849 1.329 7.119 1.00 0.35 C +ATOM 764 N GLN A 100 -9.260 1.632 7.756 1.00 0.54 N +ATOM 765 CA GLN A 100 -9.740 1.260 6.429 1.00 0.54 C +ATOM 766 C GLN A 100 -8.671 1.509 5.369 1.00 0.54 C +ATOM 767 CB GLN A 100 -11.014 2.031 6.082 1.00 0.48 C +ATOM 768 O GLN A 100 -8.140 2.616 5.263 1.00 0.52 O +ATOM 769 CG GLN A 100 -12.248 1.551 6.834 1.00 0.44 C +ATOM 770 CD GLN A 100 -13.537 2.111 6.265 1.00 0.49 C +ATOM 771 NE2 GLN A 100 -14.666 1.676 6.814 1.00 0.37 N +ATOM 772 OE1 GLN A 100 -13.519 2.929 5.339 1.00 0.50 O +ATOM 773 N THR A 101 -8.269 0.558 4.700 1.00 0.48 N +ATOM 774 CA THR A 101 -7.214 0.557 3.693 1.00 0.46 C +ATOM 775 C THR A 101 -7.802 0.714 2.294 1.00 0.49 C +ATOM 776 CB THR A 101 -6.380 -0.736 3.759 1.00 0.40 C +ATOM 777 O THR A 101 -8.434 -0.207 1.773 1.00 0.46 O +ATOM 778 CG2 THR A 101 -5.404 -0.701 4.931 1.00 0.34 C +ATOM 779 OG1 THR A 101 -7.258 -1.857 3.916 1.00 0.37 O +ATOM 780 N TYR A 102 -8.571 1.813 1.966 1.00 0.51 N +ATOM 781 CA TYR A 102 -8.859 2.097 0.565 1.00 0.53 C +ATOM 782 C TYR A 102 -8.335 3.473 0.169 1.00 0.51 C +ATOM 783 CB TYR A 102 -10.365 2.016 0.298 1.00 0.43 C +ATOM 784 O TYR A 102 -8.708 4.483 0.770 1.00 0.48 O +ATOM 785 CG TYR A 102 -10.730 2.126 -1.162 1.00 0.40 C +ATOM 786 CD1 TYR A 102 -11.192 3.326 -1.697 1.00 0.35 C +ATOM 787 CD2 TYR A 102 -10.614 1.030 -2.011 1.00 0.37 C +ATOM 788 CE1 TYR A 102 -11.531 3.432 -3.042 1.00 0.33 C +ATOM 789 CE2 TYR A 102 -10.950 1.124 -3.357 1.00 0.37 C +ATOM 790 OH TYR A 102 -11.741 2.426 -5.195 1.00 0.25 O +ATOM 791 CZ TYR A 102 -11.406 2.327 -3.863 1.00 0.32 C +ATOM 792 N ALA A 103 -7.291 3.423 -0.809 1.00 0.53 N +ATOM 793 CA ALA A 103 -6.938 4.255 -1.956 1.00 0.53 C +ATOM 794 C ALA A 103 -5.679 3.734 -2.644 1.00 0.54 C +ATOM 795 CB ALA A 103 -6.742 5.705 -1.522 1.00 0.49 C +ATOM 796 O ALA A 103 -4.572 3.876 -2.118 1.00 0.51 O +ATOM 797 N ALA A 104 -5.857 2.704 -3.583 1.00 0.55 N +ATOM 798 CA ALA A 104 -4.721 2.246 -4.378 1.00 0.54 C +ATOM 799 C ALA A 104 -3.680 3.351 -4.534 1.00 0.55 C +ATOM 800 CB ALA A 104 -5.190 1.765 -5.749 1.00 0.51 C +ATOM 801 O ALA A 104 -2.485 3.073 -4.662 1.00 0.54 O +ATOM 802 N GLU A 105 -4.175 4.556 -4.368 1.00 0.58 N +ATOM 803 CA GLU A 105 -3.323 5.728 -4.543 1.00 0.58 C +ATOM 804 C GLU A 105 -2.619 6.099 -3.241 1.00 0.58 C +ATOM 805 CB GLU A 105 -4.141 6.916 -5.055 1.00 0.55 C +ATOM 806 O GLU A 105 -1.750 6.973 -3.225 1.00 0.57 O +ATOM 807 CG GLU A 105 -4.846 6.653 -6.378 1.00 0.52 C +ATOM 808 CD GLU A 105 -5.422 7.909 -7.012 1.00 0.54 C +ATOM 809 OE1 GLU A 105 -5.342 8.993 -6.391 1.00 0.53 O +ATOM 810 OE2 GLU A 105 -5.958 7.808 -8.138 1.00 0.49 O +ATOM 811 N LYS A 106 -3.109 5.432 -2.216 1.00 0.65 N +ATOM 812 CA LYS A 106 -2.563 5.801 -0.913 1.00 0.64 C +ATOM 813 C LYS A 106 -1.676 4.692 -0.354 1.00 0.64 C +ATOM 814 CB LYS A 106 -3.690 6.118 0.071 1.00 0.61 C +ATOM 815 O LYS A 106 -2.166 3.615 -0.006 1.00 0.61 O +ATOM 816 CG LYS A 106 -4.581 7.273 -0.360 1.00 0.58 C +ATOM 817 CD LYS A 106 -5.514 7.708 0.764 1.00 0.58 C +ATOM 818 CE LYS A 106 -6.435 8.837 0.321 1.00 0.52 C +ATOM 819 NZ LYS A 106 -7.379 9.240 1.406 1.00 0.46 N +ATOM 820 N ASP A 107 -0.410 4.851 -0.435 1.00 0.75 N +ATOM 821 CA ASP A 107 0.623 3.997 0.142 1.00 0.75 C +ATOM 822 C ASP A 107 0.568 4.022 1.667 1.00 0.75 C +ATOM 823 CB ASP A 107 2.009 4.428 -0.342 1.00 0.72 C +ATOM 824 O ASP A 107 1.452 4.585 2.316 1.00 0.73 O +ATOM 825 CG ASP A 107 3.109 3.469 0.077 1.00 0.70 C +ATOM 826 OD1 ASP A 107 2.806 2.304 0.415 1.00 0.70 O +ATOM 827 OD2 ASP A 107 4.288 3.882 0.072 1.00 0.71 O +ATOM 828 N MET A 108 -0.430 3.436 2.193 1.00 0.78 N +ATOM 829 CA MET A 108 -0.620 3.431 3.641 1.00 0.79 C +ATOM 830 C MET A 108 0.434 2.567 4.326 1.00 0.79 C +ATOM 831 CB MET A 108 -2.020 2.931 3.999 1.00 0.76 C +ATOM 832 O MET A 108 0.662 1.425 3.924 1.00 0.78 O +ATOM 833 CG MET A 108 -3.137 3.855 3.541 1.00 0.69 C +ATOM 834 SD MET A 108 -3.321 5.325 4.625 1.00 0.61 S +ATOM 835 CE MET A 108 -3.846 4.523 6.165 1.00 0.54 C +ATOM 836 N ARG A 109 0.850 3.078 5.370 1.00 0.83 N +ATOM 837 CA ARG A 109 1.870 2.454 6.207 1.00 0.84 C +ATOM 838 C ARG A 109 1.521 2.586 7.685 1.00 0.84 C +ATOM 839 CB ARG A 109 3.242 3.076 5.935 1.00 0.83 C +ATOM 840 O ARG A 109 0.881 3.558 8.093 1.00 0.83 O +ATOM 841 CG ARG A 109 3.637 3.079 4.467 1.00 0.81 C +ATOM 842 CD ARG A 109 4.974 3.772 4.244 1.00 0.80 C +ATOM 843 NE ARG A 109 5.314 3.845 2.826 1.00 0.71 N +ATOM 844 NH1 ARG A 109 7.556 4.278 3.173 1.00 0.62 N +ATOM 845 NH2 ARG A 109 6.730 4.128 1.040 1.00 0.60 N +ATOM 846 CZ ARG A 109 6.532 4.083 2.349 1.00 0.73 C +ATOM 847 N PHE A 110 2.025 1.643 8.432 1.00 0.84 N +ATOM 848 CA PHE A 110 1.802 1.685 9.873 1.00 0.85 C +ATOM 849 C PHE A 110 3.010 1.140 10.624 1.00 0.85 C +ATOM 850 CB PHE A 110 0.548 0.889 10.247 1.00 0.83 C +ATOM 851 O PHE A 110 3.821 0.404 10.056 1.00 0.83 O +ATOM 852 CG PHE A 110 0.670 -0.590 9.997 1.00 0.81 C +ATOM 853 CD1 PHE A 110 0.417 -1.120 8.738 1.00 0.78 C +ATOM 854 CD2 PHE A 110 1.039 -1.451 11.022 1.00 0.80 C +ATOM 855 CE1 PHE A 110 0.530 -2.488 8.503 1.00 0.78 C +ATOM 856 CE2 PHE A 110 1.154 -2.820 10.796 1.00 0.80 C +ATOM 857 CZ PHE A 110 0.898 -3.336 9.536 1.00 0.72 C +ATOM 858 N ALA A 111 3.169 1.542 11.825 1.00 0.86 N +ATOM 859 CA ALA A 111 4.184 1.038 12.747 1.00 0.86 C +ATOM 860 C ALA A 111 3.679 1.064 14.187 1.00 0.85 C +ATOM 861 CB ALA A 111 5.468 1.853 12.621 1.00 0.85 C +ATOM 862 O ALA A 111 2.923 1.961 14.570 1.00 0.82 O +ATOM 863 N VAL A 112 4.118 0.022 14.880 1.00 0.78 N +ATOM 864 CA VAL A 112 4.123 0.096 16.337 1.00 0.77 C +ATOM 865 C VAL A 112 5.501 0.533 16.828 1.00 0.78 C +ATOM 866 CB VAL A 112 3.733 -1.256 16.976 1.00 0.74 C +ATOM 867 O VAL A 112 6.524 0.110 16.284 1.00 0.75 O +ATOM 868 CG1 VAL A 112 3.588 -1.116 18.490 1.00 0.64 C +ATOM 869 CG2 VAL A 112 2.439 -1.783 16.359 1.00 0.63 C +ATOM 870 N SER A 113 5.490 1.474 17.589 1.00 0.74 N +ATOM 871 CA SER A 113 6.773 1.670 18.256 1.00 0.72 C +ATOM 872 C SER A 113 7.296 0.363 18.843 1.00 0.72 C +ATOM 873 CB SER A 113 6.648 2.720 19.361 1.00 0.68 C +ATOM 874 O SER A 113 6.577 -0.332 19.563 1.00 0.66 O +ATOM 875 OG SER A 113 5.835 2.243 20.419 1.00 0.63 O +ATOM 876 N GLY A 114 8.249 -0.291 18.137 1.00 0.59 N +ATOM 877 CA GLY A 114 8.983 -1.487 18.519 1.00 0.57 C +ATOM 878 C GLY A 114 9.397 -1.492 19.979 1.00 0.59 C +ATOM 879 O GLY A 114 9.947 -0.507 20.476 1.00 0.54 O +ATOM 880 N GLY A 115 8.609 -2.247 20.862 1.00 0.51 N +ATOM 881 CA GLY A 115 8.927 -2.621 22.231 1.00 0.51 C +ATOM 882 C GLY A 115 9.729 -1.565 22.967 1.00 0.52 C +ATOM 883 O GLY A 115 9.899 -1.644 24.185 1.00 0.49 O +ATOM 884 N ASP A 116 10.320 -0.616 22.268 1.00 0.54 N +ATOM 885 CA ASP A 116 10.937 0.459 23.039 1.00 0.54 C +ATOM 886 C ASP A 116 9.882 1.412 23.595 1.00 0.54 C +ATOM 887 CB ASP A 116 11.941 1.228 22.178 1.00 0.48 C +ATOM 888 O ASP A 116 9.285 2.189 22.847 1.00 0.51 O +ATOM 889 CG ASP A 116 13.102 0.369 21.710 1.00 0.44 C +ATOM 890 OD1 ASP A 116 13.554 -0.513 22.471 1.00 0.46 O +ATOM 891 OD2 ASP A 116 13.572 0.579 20.570 1.00 0.47 O +ATOM 892 N GLU A 117 9.342 0.982 24.721 1.00 0.66 N +ATOM 893 CA GLU A 117 8.557 1.866 25.576 1.00 0.66 C +ATOM 894 C GLU A 117 9.173 3.260 25.643 1.00 0.67 C +ATOM 895 CB GLU A 117 8.429 1.279 26.984 1.00 0.60 C +ATOM 896 O GLU A 117 10.353 3.408 25.969 1.00 0.64 O +ATOM 897 CG GLU A 117 7.662 -0.034 27.035 1.00 0.56 C +ATOM 898 CD GLU A 117 7.497 -0.578 28.446 1.00 0.57 C +ATOM 899 OE1 GLU A 117 8.198 -0.099 29.366 1.00 0.57 O +ATOM 900 OE2 GLU A 117 6.663 -1.492 28.631 1.00 0.52 O +ATOM 901 N VAL A 118 8.573 4.191 24.942 1.00 0.68 N +ATOM 902 CA VAL A 118 8.950 5.598 25.036 1.00 0.69 C +ATOM 903 C VAL A 118 8.735 6.097 26.463 1.00 0.70 C +ATOM 904 CB VAL A 118 8.149 6.467 24.041 1.00 0.63 C +ATOM 905 O VAL A 118 7.627 6.010 26.997 1.00 0.67 O +ATOM 906 CG1 VAL A 118 8.627 7.918 24.085 1.00 0.59 C +ATOM 907 CG2 VAL A 118 8.268 5.905 22.626 1.00 0.57 C +ATOM 908 N TRP A 119 9.871 6.520 27.012 1.00 0.48 N +ATOM 909 CA TRP A 119 9.880 7.031 28.378 1.00 0.67 C +ATOM 910 C TRP A 119 10.761 8.270 28.491 1.00 0.49 C +ATOM 911 CB TRP A 119 10.365 5.954 29.353 1.00 0.46 C +ATOM 912 O TRP A 119 11.477 8.617 27.548 1.00 0.46 O +ATOM 913 CG TRP A 119 10.356 6.383 30.789 1.00 0.40 C +ATOM 914 CD1 TRP A 119 9.692 7.451 31.326 1.00 0.39 C +ATOM 915 CD2 TRP A 119 11.049 5.756 31.872 1.00 0.43 C +ATOM 916 CE2 TRP A 119 10.758 6.496 33.039 1.00 0.38 C +ATOM 917 CE3 TRP A 119 11.887 4.637 31.970 1.00 0.46 C +ATOM 918 NE1 TRP A 119 9.929 7.524 32.679 1.00 0.44 N +ATOM 919 CH2 TRP A 119 12.095 5.055 34.357 1.00 0.39 C +ATOM 920 CZ2 TRP A 119 11.278 6.154 34.290 1.00 0.47 C +ATOM 921 CZ3 TRP A 119 12.403 4.297 33.215 1.00 0.36 C +ATOM 922 N LYS A 120 10.732 8.978 29.695 1.00 0.70 N +ATOM 923 CA LYS A 120 11.463 10.210 29.976 1.00 0.70 C +ATOM 924 C LYS A 120 12.950 10.049 29.672 1.00 0.72 C +ATOM 925 CB LYS A 120 11.269 10.629 31.434 1.00 0.64 C +ATOM 926 O LYS A 120 13.629 11.021 29.333 1.00 0.70 O +ATOM 927 CG LYS A 120 11.882 11.979 31.777 1.00 0.57 C +ATOM 928 CD LYS A 120 11.481 12.437 33.173 1.00 0.57 C +ATOM 929 CE LYS A 120 12.103 13.783 33.521 1.00 0.48 C +ATOM 930 NZ LYS A 120 11.574 14.320 34.811 1.00 0.42 N +ATOM 931 N LYS A 121 13.575 8.929 29.712 1.00 0.77 N +ATOM 932 CA LYS A 121 15.006 8.717 29.512 1.00 0.77 C +ATOM 933 C LYS A 121 15.336 8.556 28.031 1.00 0.77 C +ATOM 934 CB LYS A 121 15.480 7.490 30.292 1.00 0.73 C +ATOM 935 O LYS A 121 16.473 8.789 27.615 1.00 0.75 O +ATOM 936 CG LYS A 121 15.471 7.674 31.802 1.00 0.67 C +ATOM 937 CD LYS A 121 16.035 6.454 32.518 1.00 0.66 C +ATOM 938 CE LYS A 121 16.029 6.639 34.030 1.00 0.61 C +ATOM 939 NZ LYS A 121 16.452 5.395 34.741 1.00 0.54 N +ATOM 940 N THR A 122 14.321 8.339 27.273 1.00 0.80 N +ATOM 941 CA THR A 122 14.456 8.161 25.831 1.00 0.80 C +ATOM 942 C THR A 122 13.239 8.723 25.101 1.00 0.82 C +ATOM 943 CB THR A 122 14.636 6.675 25.466 1.00 0.76 C +ATOM 944 O THR A 122 12.411 7.966 24.590 1.00 0.78 O +ATOM 945 CG2 THR A 122 16.042 6.193 25.805 1.00 0.69 C +ATOM 946 OG1 THR A 122 13.685 5.891 26.197 1.00 0.67 O +ATOM 947 N PRO A 123 13.138 10.043 25.064 1.00 0.84 N +ATOM 948 CA PRO A 123 11.958 10.682 24.476 1.00 0.85 C +ATOM 949 C PRO A 123 11.941 10.601 22.951 1.00 0.85 C +ATOM 950 CB PRO A 123 12.072 12.134 24.944 1.00 0.82 C +ATOM 951 O PRO A 123 11.626 11.587 22.280 1.00 0.82 O +ATOM 952 CG PRO A 123 13.541 12.407 24.987 1.00 0.79 C +ATOM 953 CD PRO A 123 14.246 11.155 25.425 1.00 0.77 C +ATOM 954 N THR A 124 12.493 9.562 22.446 1.00 0.87 N +ATOM 955 CA THR A 124 12.503 9.331 21.006 1.00 0.87 C +ATOM 956 C THR A 124 11.679 8.098 20.649 1.00 0.87 C +ATOM 957 CB THR A 124 13.940 9.162 20.477 1.00 0.86 C +ATOM 958 O THR A 124 11.973 6.993 21.111 1.00 0.85 O +ATOM 959 CG2 THR A 124 13.960 9.082 18.955 1.00 0.83 C +ATOM 960 OG1 THR A 124 14.732 10.280 20.897 1.00 0.85 O +ATOM 961 N ALA A 125 10.706 8.237 19.786 1.00 0.88 N +ATOM 962 CA ALA A 125 9.943 7.142 19.193 1.00 0.88 C +ATOM 963 C ALA A 125 10.453 6.813 17.793 1.00 0.88 C +ATOM 964 CB ALA A 125 8.458 7.494 19.145 1.00 0.87 C +ATOM 965 O ALA A 125 10.414 7.659 16.896 1.00 0.88 O +ATOM 966 N ASN A 126 10.956 5.619 17.674 1.00 0.88 N +ATOM 967 CA ASN A 126 11.362 5.076 16.382 1.00 0.88 C +ATOM 968 C ASN A 126 10.259 4.225 15.760 1.00 0.88 C +ATOM 969 CB ASN A 126 12.648 4.259 16.523 1.00 0.87 C +ATOM 970 O ASN A 126 9.839 3.223 16.341 1.00 0.87 O +ATOM 971 CG ASN A 126 13.787 5.061 17.121 1.00 0.84 C +ATOM 972 ND2 ASN A 126 14.153 4.740 18.357 1.00 0.84 N +ATOM 973 OD1 ASN A 126 14.333 5.961 16.479 1.00 0.83 O +ATOM 974 N PHE A 127 9.718 4.692 14.605 1.00 0.88 N +ATOM 975 CA PHE A 127 8.684 3.995 13.850 1.00 0.88 C +ATOM 976 C PHE A 127 9.257 3.402 12.568 1.00 0.88 C +ATOM 977 CB PHE A 127 7.527 4.943 13.518 1.00 0.88 C +ATOM 978 O PHE A 127 9.588 4.133 11.633 1.00 0.86 O +ATOM 979 CG PHE A 127 6.834 5.502 14.730 1.00 0.89 C +ATOM 980 CD1 PHE A 127 6.028 4.693 15.522 1.00 0.88 C +ATOM 981 CD2 PHE A 127 6.988 6.838 15.078 1.00 0.88 C +ATOM 982 CE1 PHE A 127 5.385 5.209 16.645 1.00 0.88 C +ATOM 983 CE2 PHE A 127 6.348 7.360 16.199 1.00 0.88 C +ATOM 984 CZ PHE A 127 5.546 6.544 16.981 1.00 0.87 C +ATOM 985 N GLU A 128 9.332 2.097 12.488 1.00 0.87 N +ATOM 986 CA GLU A 128 9.541 1.392 11.227 1.00 0.87 C +ATOM 987 C GLU A 128 8.215 1.107 10.528 1.00 0.87 C +ATOM 988 CB GLU A 128 10.304 0.086 11.460 1.00 0.85 C +ATOM 989 O GLU A 128 7.513 0.157 10.880 1.00 0.86 O +ATOM 990 CG GLU A 128 10.777 -0.587 10.180 1.00 0.81 C +ATOM 991 CD GLU A 128 11.555 -1.869 10.429 1.00 0.78 C +ATOM 992 OE1 GLU A 128 11.921 -2.141 11.595 1.00 0.75 O +ATOM 993 OE2 GLU A 128 11.802 -2.608 9.449 1.00 0.73 O +ATOM 994 N LEU A 129 7.866 1.954 9.642 1.00 0.87 N +ATOM 995 CA LEU A 129 6.564 1.933 8.985 1.00 0.87 C +ATOM 996 C LEU A 129 6.501 0.825 7.939 1.00 0.86 C +ATOM 997 CB LEU A 129 6.271 3.286 8.331 1.00 0.86 C +ATOM 998 O LEU A 129 7.193 0.887 6.921 1.00 0.85 O +ATOM 999 CG LEU A 129 6.057 4.466 9.281 1.00 0.86 C +ATOM 1000 CD1 LEU A 129 6.101 5.781 8.510 1.00 0.84 C +ATOM 1001 CD2 LEU A 129 4.734 4.320 10.025 1.00 0.84 C +ATOM 1002 N LYS A 130 5.603 -0.048 8.141 1.00 0.85 N +ATOM 1003 CA LYS A 130 5.308 -1.161 7.243 1.00 0.85 C +ATOM 1004 C LYS A 130 4.131 -0.833 6.329 1.00 0.85 C +ATOM 1005 CB LYS A 130 5.013 -2.432 8.041 1.00 0.84 C +ATOM 1006 O LYS A 130 3.160 -0.207 6.759 1.00 0.85 O +ATOM 1007 CG LYS A 130 6.155 -2.876 8.942 1.00 0.82 C +ATOM 1008 CD LYS A 130 5.810 -4.157 9.692 1.00 0.81 C +ATOM 1009 CE LYS A 130 6.950 -4.598 10.601 1.00 0.75 C +ATOM 1010 NZ LYS A 130 6.655 -5.903 11.264 1.00 0.73 N +ATOM 1011 N ARG A 131 4.149 -1.303 5.160 1.00 0.83 N +ATOM 1012 CA ARG A 131 3.051 -1.091 4.222 1.00 0.83 C +ATOM 1013 C ARG A 131 1.866 -1.992 4.554 1.00 0.83 C +ATOM 1014 CB ARG A 131 3.514 -1.342 2.786 1.00 0.82 C +ATOM 1015 O ARG A 131 2.042 -3.180 4.832 1.00 0.82 O +ATOM 1016 CG ARG A 131 4.473 -0.288 2.255 1.00 0.80 C +ATOM 1017 CD ARG A 131 4.800 -0.512 0.785 1.00 0.79 C +ATOM 1018 NE ARG A 131 5.605 0.578 0.240 1.00 0.74 N +ATOM 1019 NH1 ARG A 131 7.621 -0.259 0.994 1.00 0.72 N +ATOM 1020 NH2 ARG A 131 7.560 1.707 -0.183 1.00 0.71 N +ATOM 1021 CZ ARG A 131 6.927 0.673 0.352 1.00 0.73 C +ATOM 1022 N ALA A 132 0.741 -1.453 4.422 1.00 0.82 N +ATOM 1023 CA ALA A 132 -0.492 -2.162 4.752 1.00 0.81 C +ATOM 1024 C ALA A 132 -0.975 -3.002 3.573 1.00 0.82 C +ATOM 1025 CB ALA A 132 -1.577 -1.174 5.176 1.00 0.80 C +ATOM 1026 O ALA A 132 -1.842 -3.865 3.731 1.00 0.80 O +ATOM 1027 N TYR A 133 -0.259 -2.871 2.270 1.00 0.82 N +ATOM 1028 CA TYR A 133 -0.711 -3.514 1.042 1.00 0.82 C +ATOM 1029 C TYR A 133 0.451 -4.186 0.319 1.00 0.83 C +ATOM 1030 CB TYR A 133 -1.383 -2.496 0.117 1.00 0.80 C +ATOM 1031 O TYR A 133 1.611 -3.822 0.523 1.00 0.82 O +ATOM 1032 CG TYR A 133 -2.588 -1.823 0.728 1.00 0.74 C +ATOM 1033 CD1 TYR A 133 -3.847 -2.418 0.667 1.00 0.68 C +ATOM 1034 CD2 TYR A 133 -2.472 -0.593 1.365 1.00 0.68 C +ATOM 1035 CE1 TYR A 133 -4.961 -1.801 1.227 1.00 0.65 C +ATOM 1036 CE2 TYR A 133 -3.579 0.033 1.929 1.00 0.67 C +ATOM 1037 OH TYR A 133 -5.917 0.036 2.411 1.00 0.43 O +ATOM 1038 CZ TYR A 133 -4.817 -0.578 1.855 1.00 0.63 C +ATOM 1039 N ALA A 134 -0.069 -5.035 -0.512 1.00 0.84 N +ATOM 1040 CA ALA A 134 0.756 -5.428 -1.651 1.00 0.84 C +ATOM 1041 C ALA A 134 0.572 -4.465 -2.820 1.00 0.84 C +ATOM 1042 CB ALA A 134 0.423 -6.854 -2.083 1.00 0.84 C +ATOM 1043 O ALA A 134 -0.491 -3.859 -2.972 1.00 0.83 O +ATOM 1044 N ARG A 135 1.582 -4.369 -3.634 1.00 0.82 N +ATOM 1045 CA ARG A 135 1.517 -3.564 -4.849 1.00 0.82 C +ATOM 1046 C ARG A 135 1.598 -4.442 -6.093 1.00 0.83 C +ATOM 1047 CB ARG A 135 2.641 -2.525 -4.867 1.00 0.81 C +ATOM 1048 O ARG A 135 2.612 -5.102 -6.328 1.00 0.82 O +ATOM 1049 CG ARG A 135 2.493 -1.477 -5.958 1.00 0.77 C +ATOM 1050 CD ARG A 135 3.529 -0.370 -5.822 1.00 0.74 C +ATOM 1051 NE ARG A 135 3.318 0.690 -6.803 1.00 0.67 N +ATOM 1052 NH1 ARG A 135 4.927 2.100 -5.932 1.00 0.59 N +ATOM 1053 NH2 ARG A 135 3.715 2.735 -7.771 1.00 0.55 N +ATOM 1054 CZ ARG A 135 3.987 1.839 -6.833 1.00 0.67 C +ATOM 1055 N LEU A 136 0.538 -4.384 -6.852 1.00 0.86 N +ATOM 1056 CA LEU A 136 0.539 -4.996 -8.176 1.00 0.86 C +ATOM 1057 C LEU A 136 0.824 -3.957 -9.255 1.00 0.86 C +ATOM 1058 CB LEU A 136 -0.802 -5.680 -8.452 1.00 0.85 C +ATOM 1059 O LEU A 136 0.017 -3.052 -9.480 1.00 0.84 O +ATOM 1060 CG LEU A 136 -0.955 -6.346 -9.821 1.00 0.86 C +ATOM 1061 CD1 LEU A 136 0.052 -7.480 -9.974 1.00 0.85 C +ATOM 1062 CD2 LEU A 136 -2.379 -6.858 -10.010 1.00 0.86 C +ATOM 1063 N VAL A 137 1.970 -4.072 -9.915 1.00 0.84 N +ATOM 1064 CA VAL A 137 2.377 -3.249 -11.049 1.00 0.84 C +ATOM 1065 C VAL A 137 2.134 -4.007 -12.352 1.00 0.84 C +ATOM 1066 CB VAL A 137 3.861 -2.832 -10.943 1.00 0.83 C +ATOM 1067 O VAL A 137 2.676 -5.097 -12.553 1.00 0.84 O +ATOM 1068 CG1 VAL A 137 4.250 -1.921 -12.106 1.00 0.80 C +ATOM 1069 CG2 VAL A 137 4.127 -2.141 -9.607 1.00 0.80 C +ATOM 1070 N LEU A 138 1.299 -3.446 -13.149 1.00 0.86 N +ATOM 1071 CA LEU A 138 1.041 -3.971 -14.486 1.00 0.85 C +ATOM 1072 C LEU A 138 1.850 -3.213 -15.533 1.00 0.85 C +ATOM 1073 CB LEU A 138 -0.451 -3.886 -14.817 1.00 0.85 C +ATOM 1074 O LEU A 138 1.624 -2.022 -15.756 1.00 0.83 O +ATOM 1075 CG LEU A 138 -1.407 -4.529 -13.810 1.00 0.85 C +ATOM 1076 CD1 LEU A 138 -2.848 -4.402 -14.292 1.00 0.83 C +ATOM 1077 CD2 LEU A 138 -1.040 -5.992 -13.584 1.00 0.83 C +ATOM 1078 N SER A 139 2.804 -3.861 -16.129 1.00 0.84 N +ATOM 1079 CA SER A 139 3.553 -3.382 -17.286 1.00 0.84 C +ATOM 1080 C SER A 139 2.989 -3.948 -18.584 1.00 0.84 C +ATOM 1081 CB SER A 139 5.031 -3.753 -17.159 1.00 0.82 C +ATOM 1082 O SER A 139 2.980 -5.164 -18.785 1.00 0.83 O +ATOM 1083 OG SER A 139 5.776 -3.233 -18.247 1.00 0.76 O +ATOM 1084 N VAL A 140 2.465 -3.060 -19.426 1.00 0.85 N +ATOM 1085 CA VAL A 140 1.807 -3.494 -20.654 1.00 0.85 C +ATOM 1086 C VAL A 140 2.571 -2.964 -21.865 1.00 0.84 C +ATOM 1087 CB VAL A 140 0.336 -3.026 -20.705 1.00 0.84 C +ATOM 1088 O VAL A 140 2.739 -1.752 -22.019 1.00 0.82 O +ATOM 1089 CG1 VAL A 140 -0.382 -3.633 -21.909 1.00 0.84 C +ATOM 1090 CG2 VAL A 140 -0.385 -3.392 -19.409 1.00 0.83 C +ATOM 1091 N VAL A 141 3.031 -3.852 -22.718 1.00 0.85 N +ATOM 1092 CA VAL A 141 3.673 -3.480 -23.974 1.00 0.84 C +ATOM 1093 C VAL A 141 2.760 -3.831 -25.146 1.00 0.85 C +ATOM 1094 CB VAL A 141 5.043 -4.176 -24.139 1.00 0.83 C +ATOM 1095 O VAL A 141 2.011 -4.809 -25.087 1.00 0.84 O +ATOM 1096 CG1 VAL A 141 6.008 -3.735 -23.040 1.00 0.76 C +ATOM 1097 CG2 VAL A 141 4.874 -5.694 -24.129 1.00 0.75 C +ATOM 1098 N ARG A 142 2.840 -3.056 -26.101 1.00 0.84 N +ATOM 1099 CA ARG A 142 2.203 -3.343 -27.382 1.00 0.84 C +ATOM 1100 C ARG A 142 3.120 -4.171 -28.276 1.00 0.85 C +ATOM 1101 CB ARG A 142 1.812 -2.045 -28.092 1.00 0.82 C +ATOM 1102 O ARG A 142 4.300 -3.850 -28.431 1.00 0.83 O +ATOM 1103 CG ARG A 142 2.372 -1.920 -29.500 1.00 0.75 C +ATOM 1104 CD ARG A 142 1.906 -0.640 -30.180 1.00 0.73 C +ATOM 1105 NE ARG A 142 2.981 -0.015 -30.945 1.00 0.66 N +ATOM 1106 NH1 ARG A 142 1.583 1.317 -32.215 1.00 0.57 N +ATOM 1107 NH2 ARG A 142 3.852 1.403 -32.528 1.00 0.52 N +ATOM 1108 CZ ARG A 142 2.803 0.900 -31.894 1.00 0.64 C +ATOM 1109 N ASP A 143 2.561 -5.195 -28.806 1.00 0.86 N +ATOM 1110 CA ASP A 143 3.224 -5.895 -29.902 1.00 0.86 C +ATOM 1111 C ASP A 143 3.159 -5.082 -31.193 1.00 0.86 C +ATOM 1112 CB ASP A 143 2.596 -7.273 -30.116 1.00 0.84 C +ATOM 1113 O ASP A 143 2.213 -4.321 -31.406 1.00 0.85 O +ATOM 1114 CG ASP A 143 3.308 -8.091 -31.180 1.00 0.78 C +ATOM 1115 OD1 ASP A 143 2.890 -8.056 -32.358 1.00 0.76 O +ATOM 1116 OD2 ASP A 143 4.293 -8.779 -30.837 1.00 0.78 O +ATOM 1117 N ALA A 144 4.162 -5.292 -32.104 1.00 0.82 N +ATOM 1118 CA ALA A 144 4.294 -4.557 -33.359 1.00 0.82 C +ATOM 1119 C ALA A 144 3.074 -4.770 -34.250 1.00 0.83 C +ATOM 1120 CB ALA A 144 5.565 -4.982 -34.092 1.00 0.80 C +ATOM 1121 O ALA A 144 2.804 -3.967 -35.146 1.00 0.82 O +ATOM 1122 N THR A 145 2.304 -5.741 -34.002 1.00 0.83 N +ATOM 1123 CA THR A 145 1.128 -6.085 -34.793 1.00 0.83 C +ATOM 1124 C THR A 145 -0.119 -5.407 -34.233 1.00 0.83 C +ATOM 1125 CB THR A 145 0.910 -7.609 -34.837 1.00 0.80 C +ATOM 1126 O THR A 145 -1.203 -5.517 -34.809 1.00 0.81 O +ATOM 1127 CG2 THR A 145 2.157 -8.329 -35.339 1.00 0.76 C +ATOM 1128 OG1 THR A 145 0.599 -8.080 -33.520 1.00 0.80 O +ATOM 1129 N TYR A 146 -0.064 -4.696 -33.068 1.00 0.82 N +ATOM 1130 CA TYR A 146 -1.208 -4.021 -32.465 1.00 0.83 C +ATOM 1131 C TYR A 146 -1.403 -2.635 -33.069 1.00 0.82 C +ATOM 1132 CB TYR A 146 -1.029 -3.908 -30.948 1.00 0.81 C +ATOM 1133 O TYR A 146 -0.557 -1.753 -32.902 1.00 0.79 O +ATOM 1134 CG TYR A 146 -2.276 -3.468 -30.221 1.00 0.82 C +ATOM 1135 CD1 TYR A 146 -3.315 -4.363 -29.975 1.00 0.80 C +ATOM 1136 CD2 TYR A 146 -2.419 -2.157 -29.780 1.00 0.81 C +ATOM 1137 CE1 TYR A 146 -4.467 -3.961 -29.307 1.00 0.82 C +ATOM 1138 CE2 TYR A 146 -3.566 -1.744 -29.110 1.00 0.80 C +ATOM 1139 OH TYR A 146 -5.721 -2.249 -28.217 1.00 0.75 O +ATOM 1140 CZ TYR A 146 -4.583 -2.652 -28.879 1.00 0.80 C +ATOM 1141 N PRO A 147 -2.493 -2.319 -33.803 1.00 0.81 N +ATOM 1142 CA PRO A 147 -2.620 -1.162 -34.692 1.00 0.82 C +ATOM 1143 C PRO A 147 -2.921 0.131 -33.936 1.00 0.80 C +ATOM 1144 CB PRO A 147 -3.787 -1.544 -35.605 1.00 0.78 C +ATOM 1145 O PRO A 147 -2.779 1.223 -34.493 1.00 0.77 O +ATOM 1146 CG PRO A 147 -4.645 -2.442 -34.773 1.00 0.78 C +ATOM 1147 CD PRO A 147 -3.755 -3.262 -33.883 1.00 0.77 C +ATOM 1148 N ASN A 148 -3.354 0.073 -32.660 1.00 0.79 N +ATOM 1149 CA ASN A 148 -3.887 1.227 -31.946 1.00 0.80 C +ATOM 1150 C ASN A 148 -2.888 1.767 -30.927 1.00 0.78 C +ATOM 1151 CB ASN A 148 -5.207 0.871 -31.258 1.00 0.75 C +ATOM 1152 O ASN A 148 -1.725 1.358 -30.914 1.00 0.73 O +ATOM 1153 CG ASN A 148 -6.294 0.490 -32.243 1.00 0.74 C +ATOM 1154 ND2 ASN A 148 -7.105 -0.497 -31.880 1.00 0.71 N +ATOM 1155 OD1 ASN A 148 -6.404 1.077 -33.323 1.00 0.74 O +ATOM 1156 N THR A 149 -3.213 2.731 -30.072 1.00 0.80 N +ATOM 1157 CA THR A 149 -2.341 3.481 -29.175 1.00 0.79 C +ATOM 1158 C THR A 149 -2.001 2.655 -27.937 1.00 0.79 C +ATOM 1159 CB THR A 149 -2.990 4.810 -28.746 1.00 0.77 C +ATOM 1160 O THR A 149 -1.091 3.005 -27.182 1.00 0.77 O +ATOM 1161 CG2 THR A 149 -3.173 5.743 -29.939 1.00 0.72 C +ATOM 1162 OG1 THR A 149 -4.270 4.543 -28.162 1.00 0.72 O +ATOM 1163 N CYS A 150 -2.854 1.544 -27.726 1.00 0.82 N +ATOM 1164 CA CYS A 150 -2.723 0.695 -26.548 1.00 0.83 C +ATOM 1165 C CYS A 150 -2.988 1.487 -25.273 1.00 0.82 C +ATOM 1166 CB CYS A 150 -1.330 0.069 -26.490 1.00 0.79 C +ATOM 1167 O CYS A 150 -2.260 1.347 -24.288 1.00 0.79 O +ATOM 1168 SG CYS A 150 -1.204 -1.322 -25.344 1.00 0.77 S +ATOM 1169 N LYS A 151 -3.897 2.439 -25.285 1.00 0.82 N +ATOM 1170 CA LYS A 151 -4.336 3.229 -24.139 1.00 0.83 C +ATOM 1171 C LYS A 151 -5.173 2.388 -23.179 1.00 0.84 C +ATOM 1172 CB LYS A 151 -5.135 4.448 -24.601 1.00 0.82 C +ATOM 1173 O LYS A 151 -6.314 2.037 -23.487 1.00 0.83 O +ATOM 1174 CG LYS A 151 -5.543 5.385 -23.473 1.00 0.79 C +ATOM 1175 CD LYS A 151 -6.316 6.588 -23.998 1.00 0.78 C +ATOM 1176 CE LYS A 151 -6.735 7.520 -22.869 1.00 0.73 C +ATOM 1177 NZ LYS A 151 -7.538 8.674 -23.373 1.00 0.74 N +ATOM 1178 N ILE A 152 -4.629 2.199 -21.973 1.00 0.84 N +ATOM 1179 CA ILE A 152 -5.346 1.507 -20.908 1.00 0.85 C +ATOM 1180 C ILE A 152 -6.210 2.502 -20.136 1.00 0.85 C +ATOM 1181 CB ILE A 152 -4.374 0.784 -19.948 1.00 0.84 C +ATOM 1182 O ILE A 152 -5.715 3.529 -19.666 1.00 0.83 O +ATOM 1183 CG1 ILE A 152 -3.482 -0.191 -20.726 1.00 0.82 C +ATOM 1184 CG2 ILE A 152 -5.146 0.058 -18.843 1.00 0.82 C +ATOM 1185 CD1 ILE A 152 -2.287 -0.702 -19.934 1.00 0.80 C +ATOM 1186 N THR A 153 -7.509 2.154 -19.945 1.00 0.84 N +ATOM 1187 CA THR A 153 -8.444 3.045 -19.265 1.00 0.84 C +ATOM 1188 C THR A 153 -9.013 2.380 -18.015 1.00 0.84 C +ATOM 1189 CB THR A 153 -9.596 3.462 -20.198 1.00 0.83 C +ATOM 1190 O THR A 153 -9.484 3.062 -17.103 1.00 0.83 O +ATOM 1191 CG2 THR A 153 -9.100 4.388 -21.304 1.00 0.80 C +ATOM 1192 OG1 THR A 153 -10.170 2.292 -20.792 1.00 0.83 O +ATOM 1193 N LYS A 154 -8.984 1.062 -17.981 1.00 0.85 N +ATOM 1194 CA LYS A 154 -9.505 0.276 -16.867 1.00 0.85 C +ATOM 1195 C LYS A 154 -8.700 -1.005 -16.673 1.00 0.86 C +ATOM 1196 CB LYS A 154 -10.980 -0.060 -17.091 1.00 0.84 C +ATOM 1197 O LYS A 154 -8.294 -1.643 -17.647 1.00 0.86 O +ATOM 1198 CG LYS A 154 -11.669 -0.665 -15.877 1.00 0.78 C +ATOM 1199 CD LYS A 154 -13.142 -0.943 -16.150 1.00 0.75 C +ATOM 1200 CE LYS A 154 -13.802 -1.662 -14.981 1.00 0.69 C +ATOM 1201 NZ LYS A 154 -15.197 -2.084 -15.307 1.00 0.67 N +ATOM 1202 N ALA A 155 -8.486 -1.372 -15.446 1.00 0.86 N +ATOM 1203 CA ALA A 155 -8.046 -2.698 -15.019 1.00 0.86 C +ATOM 1204 C ALA A 155 -9.037 -3.314 -14.035 1.00 0.86 C +ATOM 1205 CB ALA A 155 -6.656 -2.621 -14.391 1.00 0.85 C +ATOM 1206 O ALA A 155 -9.460 -2.660 -13.079 1.00 0.86 O +ATOM 1207 N LYS A 156 -9.375 -4.457 -14.359 1.00 0.89 N +ATOM 1208 CA LYS A 156 -10.204 -5.322 -13.525 1.00 0.89 C +ATOM 1209 C LYS A 156 -9.427 -6.553 -13.067 1.00 0.90 C +ATOM 1210 CB LYS A 156 -11.464 -5.749 -14.280 1.00 0.87 C +ATOM 1211 O LYS A 156 -8.793 -7.231 -13.878 1.00 0.89 O +ATOM 1212 CG LYS A 156 -12.444 -6.557 -13.443 1.00 0.81 C +ATOM 1213 CD LYS A 156 -13.715 -6.874 -14.220 1.00 0.78 C +ATOM 1214 CE LYS A 156 -13.471 -7.935 -15.285 1.00 0.74 C +ATOM 1215 NZ LYS A 156 -14.716 -8.251 -16.047 1.00 0.72 N +ATOM 1216 N ILE A 157 -9.410 -6.837 -11.744 1.00 0.88 N +ATOM 1217 CA ILE A 157 -8.816 -8.016 -11.122 1.00 0.89 C +ATOM 1218 C ILE A 157 -9.909 -8.863 -10.474 1.00 0.88 C +ATOM 1219 CB ILE A 157 -7.749 -7.625 -10.076 1.00 0.86 C +ATOM 1220 O ILE A 157 -10.712 -8.355 -9.687 1.00 0.86 O +ATOM 1221 CG1 ILE A 157 -6.715 -6.677 -10.695 1.00 0.79 C +ATOM 1222 CG2 ILE A 157 -7.072 -8.873 -9.503 1.00 0.78 C +ATOM 1223 CD1 ILE A 157 -5.755 -6.063 -9.686 1.00 0.76 C +ATOM 1224 N GLU A 158 -9.911 -10.175 -10.728 1.00 0.90 N +ATOM 1225 CA GLU A 158 -10.812 -11.186 -10.184 1.00 0.90 C +ATOM 1226 C GLU A 158 -10.036 -12.385 -9.646 1.00 0.90 C +ATOM 1227 CB GLU A 158 -11.814 -11.642 -11.248 1.00 0.89 C +ATOM 1228 O GLU A 158 -9.024 -12.786 -10.224 1.00 0.89 O +ATOM 1229 CG GLU A 158 -12.617 -10.506 -11.863 1.00 0.85 C +ATOM 1230 CD GLU A 158 -13.483 -10.947 -13.032 1.00 0.82 C +ATOM 1231 OE1 GLU A 158 -12.960 -11.069 -14.163 1.00 0.83 O +ATOM 1232 OE2 GLU A 158 -14.695 -11.172 -12.816 1.00 0.83 O +ATOM 1233 N ALA A 159 -10.456 -12.854 -8.479 1.00 0.86 N +ATOM 1234 CA ALA A 159 -10.014 -14.200 -8.124 1.00 0.87 C +ATOM 1235 C ALA A 159 -10.591 -15.237 -9.083 1.00 0.88 C +ATOM 1236 CB ALA A 159 -10.412 -14.530 -6.687 1.00 0.84 C +ATOM 1237 O ALA A 159 -11.760 -15.155 -9.467 1.00 0.87 O +ATOM 1238 N PHE A 160 -9.707 -16.228 -9.450 1.00 0.87 N +ATOM 1239 CA PHE A 160 -10.166 -17.290 -10.337 1.00 0.89 C +ATOM 1240 C PHE A 160 -11.308 -18.072 -9.700 1.00 0.84 C +ATOM 1241 CB PHE A 160 -9.013 -18.236 -10.686 1.00 0.86 C +ATOM 1242 O PHE A 160 -12.257 -18.463 -10.384 1.00 0.79 O +ATOM 1243 CG PHE A 160 -9.364 -19.262 -11.730 1.00 0.83 C +ATOM 1244 CD1 PHE A 160 -9.302 -18.947 -13.082 1.00 0.79 C +ATOM 1245 CD2 PHE A 160 -9.755 -20.541 -11.358 1.00 0.81 C +ATOM 1246 CE1 PHE A 160 -9.626 -19.895 -14.050 1.00 0.82 C +ATOM 1247 CE2 PHE A 160 -10.081 -21.493 -12.320 1.00 0.83 C +ATOM 1248 CZ PHE A 160 -10.017 -21.168 -13.665 1.00 0.81 C +ATOM 1249 N THR A 161 -11.157 -18.229 -8.387 1.00 0.85 N +ATOM 1250 CA THR A 161 -12.207 -18.790 -7.544 1.00 0.87 C +ATOM 1251 C THR A 161 -12.452 -17.905 -6.325 1.00 0.83 C +ATOM 1252 CB THR A 161 -11.851 -20.216 -7.084 1.00 0.83 C +ATOM 1253 O THR A 161 -11.504 -17.463 -5.672 1.00 0.81 O +ATOM 1254 CG2 THR A 161 -11.730 -21.164 -8.272 1.00 0.72 C +ATOM 1255 OG1 THR A 161 -10.603 -20.187 -6.381 1.00 0.76 O +ATOM 1256 N GLY A 162 -13.741 -17.606 -6.066 1.00 0.84 N +ATOM 1257 CA GLY A 162 -14.149 -16.857 -4.888 1.00 0.85 C +ATOM 1258 C GLY A 162 -14.118 -15.355 -5.095 1.00 0.84 C +ATOM 1259 O GLY A 162 -14.297 -14.873 -6.215 1.00 0.79 O +ATOM 1260 N ASN A 163 -13.898 -14.652 -4.026 1.00 0.86 N +ATOM 1261 CA ASN A 163 -13.900 -13.193 -4.014 1.00 0.87 C +ATOM 1262 C ASN A 163 -12.505 -12.632 -3.756 1.00 0.85 C +ATOM 1263 CB ASN A 163 -14.886 -12.667 -2.969 1.00 0.84 C +ATOM 1264 O ASN A 163 -11.680 -13.281 -3.110 1.00 0.82 O +ATOM 1265 CG ASN A 163 -16.327 -12.991 -3.309 1.00 0.81 C +ATOM 1266 ND2 ASN A 163 -17.164 -13.121 -2.286 1.00 0.81 N +ATOM 1267 OD1 ASN A 163 -16.686 -13.124 -4.482 1.00 0.80 O +ATOM 1268 N ILE A 164 -12.262 -11.544 -4.270 1.00 0.85 N +ATOM 1269 CA ILE A 164 -11.061 -10.773 -3.967 1.00 0.85 C +ATOM 1270 C ILE A 164 -11.348 -9.798 -2.827 1.00 0.84 C +ATOM 1271 CB ILE A 164 -10.551 -10.010 -5.209 1.00 0.82 C +ATOM 1272 O ILE A 164 -12.434 -9.218 -2.756 1.00 0.81 O +ATOM 1273 CG1 ILE A 164 -9.159 -9.426 -4.943 1.00 0.71 C +ATOM 1274 CG2 ILE A 164 -11.539 -8.911 -5.612 1.00 0.71 C +ATOM 1275 CD1 ILE A 164 -8.421 -8.987 -6.200 1.00 0.69 C +ATOM 1276 N ILE A 165 -10.454 -9.636 -1.899 1.00 0.83 N +ATOM 1277 CA ILE A 165 -10.518 -8.630 -0.844 1.00 0.83 C +ATOM 1278 C ILE A 165 -10.143 -7.263 -1.410 1.00 0.83 C +ATOM 1279 CB ILE A 165 -9.593 -8.993 0.339 1.00 0.82 C +ATOM 1280 O ILE A 165 -9.022 -7.068 -1.887 1.00 0.81 O +ATOM 1281 CG1 ILE A 165 -9.889 -10.413 0.834 1.00 0.80 C +ATOM 1282 CG2 ILE A 165 -9.744 -7.976 1.474 1.00 0.79 C +ATOM 1283 CD1 ILE A 165 -8.906 -10.923 1.878 1.00 0.77 C +ATOM 1284 N THR A 166 -11.078 -6.355 -1.415 1.00 0.79 N +ATOM 1285 CA THR A 166 -10.891 -5.034 -2.005 1.00 0.78 C +ATOM 1286 C THR A 166 -10.621 -3.992 -0.923 1.00 0.77 C +ATOM 1287 CB THR A 166 -12.120 -4.612 -2.832 1.00 0.76 C +ATOM 1288 O THR A 166 -10.015 -2.953 -1.192 1.00 0.74 O +ATOM 1289 CG2 THR A 166 -12.305 -5.520 -4.044 1.00 0.74 C +ATOM 1290 OG1 THR A 166 -13.291 -4.687 -2.009 1.00 0.74 O +ATOM 1291 N ALA A 167 -11.052 -4.309 0.266 1.00 0.76 N +ATOM 1292 CA ALA A 167 -10.777 -3.509 1.458 1.00 0.76 C +ATOM 1293 C ALA A 167 -10.593 -4.398 2.684 1.00 0.77 C +ATOM 1294 CB ALA A 167 -11.902 -2.505 1.696 1.00 0.74 C +ATOM 1295 O ALA A 167 -11.315 -5.382 2.860 1.00 0.75 O +ATOM 1296 N ASN A 168 -9.594 -4.009 3.409 1.00 0.77 N +ATOM 1297 CA ASN A 168 -9.386 -4.659 4.699 1.00 0.77 C +ATOM 1298 C ASN A 168 -9.160 -3.639 5.811 1.00 0.77 C +ATOM 1299 CB ASN A 168 -8.209 -5.634 4.625 1.00 0.75 C +ATOM 1300 O ASN A 168 -8.836 -2.481 5.540 1.00 0.74 O +ATOM 1301 CG ASN A 168 -8.279 -6.717 5.683 1.00 0.70 C +ATOM 1302 ND2 ASN A 168 -7.294 -7.607 5.687 1.00 0.65 N +ATOM 1303 OD1 ASN A 168 -9.212 -6.753 6.490 1.00 0.67 O +ATOM 1304 N THR A 169 -9.351 -4.060 7.001 1.00 0.77 N +ATOM 1305 CA THR A 169 -8.907 -3.302 8.165 1.00 0.77 C +ATOM 1306 C THR A 169 -7.584 -3.848 8.694 1.00 0.78 C +ATOM 1307 CB THR A 169 -9.963 -3.332 9.287 1.00 0.76 C +ATOM 1308 O THR A 169 -7.307 -5.043 8.574 1.00 0.76 O +ATOM 1309 CG2 THR A 169 -11.261 -2.670 8.837 1.00 0.72 C +ATOM 1310 OG1 THR A 169 -10.232 -4.693 9.645 1.00 0.73 O +ATOM 1311 N VAL A 170 -6.730 -3.011 9.141 1.00 0.78 N +ATOM 1312 CA VAL A 170 -5.519 -3.384 9.865 1.00 0.78 C +ATOM 1313 C VAL A 170 -5.545 -2.775 11.265 1.00 0.78 C +ATOM 1314 CB VAL A 170 -4.247 -2.935 9.112 1.00 0.76 C +ATOM 1315 O VAL A 170 -5.752 -1.569 11.420 1.00 0.77 O +ATOM 1316 CG1 VAL A 170 -2.991 -3.352 9.875 1.00 0.74 C +ATOM 1317 CG2 VAL A 170 -4.232 -3.512 7.698 1.00 0.73 C +ATOM 1318 N ASP A 171 -5.356 -3.615 12.148 1.00 0.79 N +ATOM 1319 CA ASP A 171 -5.029 -3.131 13.486 1.00 0.79 C +ATOM 1320 C ASP A 171 -3.591 -2.623 13.551 1.00 0.80 C +ATOM 1321 CB ASP A 171 -5.245 -4.234 14.524 1.00 0.78 C +ATOM 1322 O ASP A 171 -2.646 -3.413 13.503 1.00 0.79 O +ATOM 1323 CG ASP A 171 -4.995 -3.767 15.947 1.00 0.76 C +ATOM 1324 OD1 ASP A 171 -4.309 -2.739 16.140 1.00 0.76 O +ATOM 1325 OD2 ASP A 171 -5.484 -4.434 16.884 1.00 0.75 O +ATOM 1326 N ILE A 172 -3.456 -1.291 13.642 1.00 0.79 N +ATOM 1327 CA ILE A 172 -2.121 -0.720 13.510 1.00 0.78 C +ATOM 1328 C ILE A 172 -1.336 -0.939 14.801 1.00 0.78 C +ATOM 1329 CB ILE A 172 -2.181 0.786 13.168 1.00 0.77 C +ATOM 1330 O ILE A 172 -0.122 -0.727 14.841 1.00 0.76 O +ATOM 1331 CG1 ILE A 172 -2.925 1.553 14.267 1.00 0.71 C +ATOM 1332 CG2 ILE A 172 -2.843 1.004 11.804 1.00 0.71 C +ATOM 1333 CD1 ILE A 172 -2.822 3.067 14.144 1.00 0.69 C +ATOM 1334 N SER A 173 -2.010 -1.381 15.953 1.00 0.76 N +ATOM 1335 CA SER A 173 -1.342 -1.646 17.223 1.00 0.76 C +ATOM 1336 C SER A 173 -0.676 -3.018 17.222 1.00 0.76 C +ATOM 1337 CB SER A 173 -2.336 -1.553 18.382 1.00 0.75 C +ATOM 1338 O SER A 173 0.337 -3.222 17.894 1.00 0.75 O +ATOM 1339 OG SER A 173 -3.199 -2.678 18.395 1.00 0.71 O +ATOM 1340 N THR A 174 -1.169 -3.967 16.438 1.00 0.77 N +ATOM 1341 CA THR A 174 -0.688 -5.343 16.376 1.00 0.77 C +ATOM 1342 C THR A 174 -0.179 -5.676 14.977 1.00 0.77 C +ATOM 1343 CB THR A 174 -1.793 -6.339 16.774 1.00 0.75 C +ATOM 1344 O THR A 174 0.607 -6.609 14.802 1.00 0.76 O +ATOM 1345 CG2 THR A 174 -2.272 -6.088 18.200 1.00 0.74 C +ATOM 1346 OG1 THR A 174 -2.902 -6.197 15.877 1.00 0.76 O +ATOM 1347 N GLY A 175 -0.675 -4.894 14.031 1.00 0.78 N +ATOM 1348 CA GLY A 175 -0.449 -5.201 12.627 1.00 0.78 C +ATOM 1349 C GLY A 175 -1.338 -6.315 12.109 1.00 0.78 C +ATOM 1350 O GLY A 175 -1.172 -6.774 10.977 1.00 0.76 O +ATOM 1351 N THR A 176 -2.300 -6.773 12.868 1.00 0.80 N +ATOM 1352 CA THR A 176 -3.210 -7.845 12.479 1.00 0.79 C +ATOM 1353 C THR A 176 -4.246 -7.339 11.480 1.00 0.80 C +ATOM 1354 CB THR A 176 -3.924 -8.444 13.705 1.00 0.78 C +ATOM 1355 O THR A 176 -4.826 -6.268 11.668 1.00 0.79 O +ATOM 1356 CG2 THR A 176 -4.827 -9.605 13.303 1.00 0.75 C +ATOM 1357 OG1 THR A 176 -2.945 -8.916 14.638 1.00 0.77 O +ATOM 1358 N GLU A 177 -4.526 -8.124 10.523 1.00 0.79 N +ATOM 1359 CA GLU A 177 -5.592 -7.852 9.563 1.00 0.78 C +ATOM 1360 C GLU A 177 -6.950 -8.281 10.110 1.00 0.79 C +ATOM 1361 CB GLU A 177 -5.312 -8.560 8.234 1.00 0.76 C +ATOM 1362 O GLU A 177 -7.084 -9.372 10.669 1.00 0.77 O +ATOM 1363 CG GLU A 177 -4.085 -8.035 7.504 1.00 0.72 C +ATOM 1364 CD GLU A 177 -3.920 -8.620 6.110 1.00 0.69 C +ATOM 1365 OE1 GLU A 177 -4.658 -9.569 5.759 1.00 0.66 O +ATOM 1366 OE2 GLU A 177 -3.046 -8.126 5.364 1.00 0.62 O +ATOM 1367 N GLY A 178 -7.834 -7.381 9.964 1.00 0.78 N +ATOM 1368 CA GLY A 178 -9.218 -7.673 10.302 1.00 0.77 C +ATOM 1369 C GLY A 178 -10.043 -8.118 9.108 1.00 0.78 C +ATOM 1370 O GLY A 178 -9.496 -8.599 8.114 1.00 0.76 O +ATOM 1371 N SER A 179 -11.350 -8.022 9.264 1.00 0.75 N +ATOM 1372 CA SER A 179 -12.290 -8.415 8.220 1.00 0.74 C +ATOM 1373 C SER A 179 -12.201 -7.484 7.016 1.00 0.75 C +ATOM 1374 CB SER A 179 -13.720 -8.425 8.763 1.00 0.72 C +ATOM 1375 O SER A 179 -12.140 -6.263 7.172 1.00 0.74 O +ATOM 1376 OG SER A 179 -14.060 -7.161 9.307 1.00 0.69 O +ATOM 1377 N GLY A 180 -12.253 -8.085 5.801 1.00 0.76 N +ATOM 1378 CA GLY A 180 -12.202 -7.378 4.531 1.00 0.76 C +ATOM 1379 C GLY A 180 -13.517 -7.412 3.776 1.00 0.77 C +ATOM 1380 O GLY A 180 -14.298 -8.354 3.921 1.00 0.75 O +ATOM 1381 N THR A 181 -13.779 -6.332 3.091 1.00 0.77 N +ATOM 1382 CA THR A 181 -14.817 -6.371 2.066 1.00 0.78 C +ATOM 1383 C THR A 181 -14.390 -7.253 0.897 1.00 0.79 C +ATOM 1384 CB THR A 181 -15.148 -4.957 1.552 1.00 0.76 C +ATOM 1385 O THR A 181 -13.353 -7.011 0.275 1.00 0.78 O +ATOM 1386 CG2 THR A 181 -16.319 -4.987 0.576 1.00 0.71 C +ATOM 1387 OG1 THR A 181 -15.487 -4.118 2.663 1.00 0.74 O +ATOM 1388 N GLN A 182 -15.149 -8.261 0.630 1.00 0.79 N +ATOM 1389 CA GLN A 182 -14.946 -9.178 -0.487 1.00 0.81 C +ATOM 1390 C GLN A 182 -15.907 -8.871 -1.632 1.00 0.82 C +ATOM 1391 CB GLN A 182 -15.117 -10.627 -0.031 1.00 0.77 C +ATOM 1392 O GLN A 182 -17.114 -8.742 -1.418 1.00 0.80 O +ATOM 1393 CG GLN A 182 -14.124 -11.057 1.040 1.00 0.74 C +ATOM 1394 CD GLN A 182 -14.238 -12.528 1.391 1.00 0.73 C +ATOM 1395 NE2 GLN A 182 -13.572 -12.935 2.466 1.00 0.71 N +ATOM 1396 OE1 GLN A 182 -14.921 -13.293 0.702 1.00 0.76 O +ATOM 1397 N THR A 183 -15.332 -8.720 -2.798 1.00 0.78 N +ATOM 1398 CA THR A 183 -16.118 -8.501 -4.007 1.00 0.81 C +ATOM 1399 C THR A 183 -15.720 -9.492 -5.097 1.00 0.82 C +ATOM 1400 CB THR A 183 -15.950 -7.063 -4.530 1.00 0.77 C +ATOM 1401 O THR A 183 -14.590 -9.984 -5.114 1.00 0.82 O +ATOM 1402 CG2 THR A 183 -16.328 -6.042 -3.462 1.00 0.66 C +ATOM 1403 OG1 THR A 183 -14.584 -6.856 -4.910 1.00 0.65 O +ATOM 1404 N PRO A 184 -16.611 -9.782 -6.001 1.00 0.75 N +ATOM 1405 CA PRO A 184 -16.235 -10.667 -7.106 1.00 0.78 C +ATOM 1406 C PRO A 184 -15.106 -10.096 -7.961 1.00 0.77 C +ATOM 1407 CB PRO A 184 -17.528 -10.785 -7.917 1.00 0.74 C +ATOM 1408 O PRO A 184 -14.347 -10.853 -8.572 1.00 0.75 O +ATOM 1409 CG PRO A 184 -18.623 -10.556 -6.927 1.00 0.74 C +ATOM 1410 CD PRO A 184 -18.160 -9.529 -5.933 1.00 0.73 C +ATOM 1411 N GLN A 185 -14.964 -8.782 -7.905 1.00 0.77 N +ATOM 1412 CA GLN A 185 -13.987 -8.109 -8.754 1.00 0.79 C +ATOM 1413 C GLN A 185 -13.517 -6.802 -8.123 1.00 0.75 C +ATOM 1414 CB GLN A 185 -14.573 -7.842 -10.141 1.00 0.73 C +ATOM 1415 O GLN A 185 -14.280 -6.137 -7.419 1.00 0.70 O +ATOM 1416 CG GLN A 185 -15.820 -6.968 -10.124 1.00 0.69 C +ATOM 1417 CD GLN A 185 -16.480 -6.859 -11.485 1.00 0.67 C +ATOM 1418 NE2 GLN A 185 -17.700 -6.334 -11.513 1.00 0.71 N +ATOM 1419 OE1 GLN A 185 -15.897 -7.243 -12.505 1.00 0.76 O +ATOM 1420 N TYR A 186 -12.307 -6.437 -8.455 1.00 0.77 N +ATOM 1421 CA TYR A 186 -11.740 -5.118 -8.200 1.00 0.78 C +ATOM 1422 C TYR A 186 -11.493 -4.369 -9.504 1.00 0.79 C +ATOM 1423 CB TYR A 186 -10.432 -5.239 -7.411 1.00 0.74 C +ATOM 1424 O TYR A 186 -10.808 -4.874 -10.397 1.00 0.76 O +ATOM 1425 CG TYR A 186 -9.832 -3.909 -7.023 1.00 0.70 C +ATOM 1426 CD1 TYR A 186 -10.449 -3.094 -6.077 1.00 0.66 C +ATOM 1427 CD2 TYR A 186 -8.649 -3.464 -7.603 1.00 0.69 C +ATOM 1428 CE1 TYR A 186 -9.901 -1.867 -5.718 1.00 0.65 C +ATOM 1429 CE2 TYR A 186 -8.092 -2.239 -7.252 1.00 0.66 C +ATOM 1430 OH TYR A 186 -8.177 -0.235 -5.958 1.00 0.43 O +ATOM 1431 CZ TYR A 186 -8.724 -1.449 -6.310 1.00 0.65 C +ATOM 1432 N ILE A 187 -12.101 -3.160 -9.606 1.00 0.74 N +ATOM 1433 CA ILE A 187 -11.971 -2.328 -10.797 1.00 0.74 C +ATOM 1434 C ILE A 187 -11.179 -1.066 -10.461 1.00 0.72 C +ATOM 1435 CB ILE A 187 -13.353 -1.954 -11.378 1.00 0.65 C +ATOM 1436 O ILE A 187 -11.615 -0.251 -9.644 1.00 0.66 O +ATOM 1437 CG1 ILE A 187 -14.150 -3.219 -11.717 1.00 0.61 C +ATOM 1438 CG2 ILE A 187 -13.196 -1.059 -12.611 1.00 0.54 C +ATOM 1439 CD1 ILE A 187 -15.570 -2.947 -12.195 1.00 0.58 C +ATOM 1440 N HIS A 188 -10.070 -0.872 -11.161 1.00 0.77 N +ATOM 1441 CA HIS A 188 -9.248 0.333 -11.137 1.00 0.77 C +ATOM 1442 C HIS A 188 -9.376 1.114 -12.441 1.00 0.78 C +ATOM 1443 CB HIS A 188 -7.783 -0.024 -10.880 1.00 0.73 C +ATOM 1444 O HIS A 188 -9.097 0.582 -13.518 1.00 0.75 O +ATOM 1445 CG HIS A 188 -6.911 1.165 -10.627 1.00 0.69 C +ATOM 1446 CD2 HIS A 188 -5.972 1.759 -11.400 1.00 0.68 C +ATOM 1447 ND1 HIS A 188 -6.953 1.881 -9.450 1.00 0.64 N +ATOM 1448 CE1 HIS A 188 -6.076 2.869 -9.512 1.00 0.63 C +ATOM 1449 NE2 HIS A 188 -5.467 2.817 -10.684 1.00 0.58 N +ATOM 1450 N THR A 189 -9.930 2.261 -12.309 1.00 0.75 N +ATOM 1451 CA THR A 189 -9.982 3.174 -13.446 1.00 0.76 C +ATOM 1452 C THR A 189 -8.679 3.957 -13.571 1.00 0.74 C +ATOM 1453 CB THR A 189 -11.164 4.154 -13.321 1.00 0.70 C +ATOM 1454 O THR A 189 -8.265 4.639 -12.632 1.00 0.70 O +ATOM 1455 CG2 THR A 189 -11.256 5.062 -14.543 1.00 0.58 C +ATOM 1456 OG1 THR A 189 -12.383 3.411 -13.198 1.00 0.69 O +ATOM 1457 N VAL A 190 -8.023 3.872 -14.654 1.00 0.76 N +ATOM 1458 CA VAL A 190 -6.779 4.540 -15.021 1.00 0.76 C +ATOM 1459 C VAL A 190 -7.088 5.879 -15.686 1.00 0.76 C +ATOM 1460 CB VAL A 190 -5.920 3.663 -15.960 1.00 0.73 C +ATOM 1461 O VAL A 190 -7.649 5.919 -16.784 1.00 0.73 O +ATOM 1462 CG1 VAL A 190 -4.570 4.324 -16.230 1.00 0.68 C +ATOM 1463 CG2 VAL A 190 -5.727 2.271 -15.361 1.00 0.67 C +ATOM 1464 N THR A 191 -6.871 6.958 -15.010 1.00 0.63 N +ATOM 1465 CA THR A 191 -7.253 8.289 -15.468 1.00 0.65 C +ATOM 1466 C THR A 191 -6.264 8.808 -16.508 1.00 0.63 C +ATOM 1467 CB THR A 191 -7.335 9.282 -14.294 1.00 0.58 C +ATOM 1468 O THR A 191 -6.647 9.528 -17.432 1.00 0.60 O +ATOM 1469 CG2 THR A 191 -8.559 9.007 -13.426 1.00 0.46 C +ATOM 1470 OG1 THR A 191 -6.155 9.160 -13.490 1.00 0.51 O +ATOM 1471 N THR A 192 -4.946 8.447 -16.371 1.00 0.61 N +ATOM 1472 CA THR A 192 -3.884 8.902 -17.262 1.00 0.61 C +ATOM 1473 C THR A 192 -3.404 7.763 -18.157 1.00 0.60 C +ATOM 1474 CB THR A 192 -2.694 9.471 -16.468 1.00 0.53 C +ATOM 1475 O THR A 192 -3.064 6.683 -17.668 1.00 0.55 O +ATOM 1476 CG2 THR A 192 -3.056 10.799 -15.811 1.00 0.43 C +ATOM 1477 OG1 THR A 192 -2.315 8.535 -15.451 1.00 0.45 O +ATOM 1478 N GLY A 193 -3.867 7.667 -19.460 1.00 0.58 N +ATOM 1479 CA GLY A 193 -3.337 6.717 -20.425 1.00 0.57 C +ATOM 1480 C GLY A 193 -1.883 6.361 -20.176 1.00 0.57 C +ATOM 1481 O GLY A 193 -0.988 7.166 -20.442 1.00 0.52 O +ATOM 1482 N LEU A 194 -1.604 5.387 -19.294 1.00 0.57 N +ATOM 1483 CA LEU A 194 -0.241 5.030 -18.915 1.00 0.58 C +ATOM 1484 C LEU A 194 0.457 4.276 -20.041 1.00 0.58 C +ATOM 1485 CB LEU A 194 -0.244 4.181 -17.641 1.00 0.50 C +ATOM 1486 O LEU A 194 -0.070 3.283 -20.549 1.00 0.54 O +ATOM 1487 CG LEU A 194 -0.726 4.873 -16.365 1.00 0.46 C +ATOM 1488 CD1 LEU A 194 -0.883 3.858 -15.238 1.00 0.42 C +ATOM 1489 CD2 LEU A 194 0.240 5.982 -15.962 1.00 0.46 C +ATOM 1490 N LYS A 195 1.551 4.775 -20.541 1.00 0.56 N +ATOM 1491 CA LYS A 195 2.492 4.091 -21.424 1.00 0.55 C +ATOM 1492 C LYS A 195 3.266 3.012 -20.672 1.00 0.56 C +ATOM 1493 CB LYS A 195 3.463 5.091 -22.052 1.00 0.51 C +ATOM 1494 O LYS A 195 3.548 1.946 -21.222 1.00 0.53 O +ATOM 1495 CG LYS A 195 2.949 5.731 -23.334 1.00 0.47 C +ATOM 1496 CD LYS A 195 4.021 6.583 -24.002 1.00 0.48 C +ATOM 1497 CE LYS A 195 3.535 7.156 -25.327 1.00 0.42 C +ATOM 1498 NZ LYS A 195 4.604 7.940 -26.016 1.00 0.41 N +ATOM 1499 N ASP A 196 3.445 3.166 -19.391 1.00 0.56 N +ATOM 1500 CA ASP A 196 4.526 2.436 -18.735 1.00 0.56 C +ATOM 1501 C ASP A 196 3.997 1.595 -17.575 1.00 0.56 C +ATOM 1502 CB ASP A 196 5.601 3.404 -18.235 1.00 0.50 C +ATOM 1503 O ASP A 196 4.776 1.059 -16.784 1.00 0.53 O +ATOM 1504 CG ASP A 196 6.137 4.311 -19.329 1.00 0.47 C +ATOM 1505 OD1 ASP A 196 6.381 3.829 -20.456 1.00 0.47 O +ATOM 1506 OD2 ASP A 196 6.320 5.518 -19.060 1.00 0.51 O +ATOM 1507 N GLY A 197 2.735 1.419 -17.512 1.00 0.69 N +ATOM 1508 CA GLY A 197 2.175 0.597 -16.450 1.00 0.69 C +ATOM 1509 C GLY A 197 1.490 1.408 -15.366 1.00 0.70 C +ATOM 1510 O GLY A 197 1.462 2.639 -15.429 1.00 0.66 O +ATOM 1511 N PHE A 198 0.710 0.732 -14.572 1.00 0.74 N +ATOM 1512 CA PHE A 198 0.066 1.332 -13.410 1.00 0.74 C +ATOM 1513 C PHE A 198 0.109 0.385 -12.217 1.00 0.75 C +ATOM 1514 CB PHE A 198 -1.384 1.706 -13.731 1.00 0.69 C +ATOM 1515 O PHE A 198 0.359 -0.812 -12.377 1.00 0.71 O +ATOM 1516 CG PHE A 198 -2.266 0.523 -14.024 1.00 0.65 C +ATOM 1517 CD1 PHE A 198 -2.288 -0.049 -15.291 1.00 0.62 C +ATOM 1518 CD2 PHE A 198 -3.073 -0.019 -13.032 1.00 0.64 C +ATOM 1519 CE1 PHE A 198 -3.104 -1.144 -15.565 1.00 0.57 C +ATOM 1520 CE2 PHE A 198 -3.890 -1.114 -13.298 1.00 0.58 C +ATOM 1521 CZ PHE A 198 -3.905 -1.675 -14.565 1.00 0.56 C +ATOM 1522 N ALA A 199 0.004 0.956 -11.126 1.00 0.77 N +ATOM 1523 CA ALA A 199 0.083 0.191 -9.884 1.00 0.77 C +ATOM 1524 C ALA A 199 -1.264 0.168 -9.167 1.00 0.78 C +ATOM 1525 CB ALA A 199 1.159 0.771 -8.969 1.00 0.75 C +ATOM 1526 O ALA A 199 -1.982 1.171 -9.150 1.00 0.76 O +ATOM 1527 N ILE A 200 -1.600 -1.001 -8.618 1.00 0.80 N +ATOM 1528 CA ILE A 200 -2.794 -1.265 -7.822 1.00 0.80 C +ATOM 1529 C ILE A 200 -2.390 -1.722 -6.422 1.00 0.81 C +ATOM 1530 CB ILE A 200 -3.696 -2.326 -8.492 1.00 0.79 C +ATOM 1531 O ILE A 200 -1.613 -2.667 -6.270 1.00 0.79 O +ATOM 1532 CG1 ILE A 200 -4.007 -1.926 -9.939 1.00 0.78 C +ATOM 1533 CG2 ILE A 200 -4.985 -2.524 -7.689 1.00 0.76 C +ATOM 1534 CD1 ILE A 200 -4.733 -3.001 -10.736 1.00 0.74 C +ATOM 1535 N GLY A 201 -2.826 -1.020 -5.441 1.00 0.79 N +ATOM 1536 CA GLY A 201 -2.737 -1.517 -4.078 1.00 0.79 C +ATOM 1537 C GLY A 201 -3.781 -2.571 -3.758 1.00 0.80 C +ATOM 1538 O GLY A 201 -4.963 -2.392 -4.056 1.00 0.78 O +ATOM 1539 N LEU A 202 -3.350 -3.718 -3.129 1.00 0.83 N +ATOM 1540 CA LEU A 202 -4.238 -4.810 -2.745 1.00 0.83 C +ATOM 1541 C LEU A 202 -3.953 -5.264 -1.317 1.00 0.84 C +ATOM 1542 CB LEU A 202 -4.085 -5.990 -3.708 1.00 0.82 C +ATOM 1543 O LEU A 202 -2.793 -5.419 -0.929 1.00 0.83 O +ATOM 1544 CG LEU A 202 -4.604 -5.774 -5.131 1.00 0.80 C +ATOM 1545 CD1 LEU A 202 -3.943 -6.759 -6.090 1.00 0.77 C +ATOM 1546 CD2 LEU A 202 -6.121 -5.914 -5.174 1.00 0.77 C +ATOM 1547 N PRO A 203 -5.005 -5.502 -0.483 1.00 0.83 N +ATOM 1548 CA PRO A 203 -4.770 -6.138 0.816 1.00 0.83 C +ATOM 1549 C PRO A 203 -4.097 -7.503 0.692 1.00 0.84 C +ATOM 1550 CB PRO A 203 -6.178 -6.275 1.401 1.00 0.82 C +ATOM 1551 O PRO A 203 -4.171 -8.138 -0.363 1.00 0.84 O +ATOM 1552 CG PRO A 203 -6.991 -5.245 0.686 1.00 0.80 C +ATOM 1553 CD PRO A 203 -6.475 -5.122 -0.719 1.00 0.79 C +ATOM 1554 N GLN A 204 -3.468 -7.888 1.753 1.00 0.85 N +ATOM 1555 CA GLN A 204 -2.940 -9.245 1.844 1.00 0.85 C +ATOM 1556 C GLN A 204 -4.042 -10.280 1.637 1.00 0.86 C +ATOM 1557 CB GLN A 204 -2.259 -9.467 3.196 1.00 0.84 C +ATOM 1558 O GLN A 204 -5.100 -10.202 2.264 1.00 0.85 O +ATOM 1559 CG GLN A 204 -1.798 -10.900 3.424 1.00 0.81 C +ATOM 1560 CD GLN A 204 -0.739 -11.011 4.505 1.00 0.79 C +ATOM 1561 NE2 GLN A 204 -0.935 -11.940 5.434 1.00 0.76 N +ATOM 1562 OE1 GLN A 204 0.248 -10.268 4.504 1.00 0.78 O +ATOM 1563 N GLN A 205 -3.881 -11.282 0.798 1.00 0.87 N +ATOM 1564 CA GLN A 205 -4.877 -12.304 0.494 1.00 0.88 C +ATOM 1565 C GLN A 205 -4.255 -13.467 -0.273 1.00 0.88 C +ATOM 1566 CB GLN A 205 -6.034 -11.705 -0.308 1.00 0.87 C +ATOM 1567 O GLN A 205 -3.206 -13.313 -0.901 1.00 0.88 O +ATOM 1568 CG GLN A 205 -5.619 -11.144 -1.661 1.00 0.85 C +ATOM 1569 CD GLN A 205 -6.722 -10.345 -2.329 1.00 0.83 C +ATOM 1570 NE2 GLN A 205 -6.512 -9.040 -2.463 1.00 0.82 N +ATOM 1571 OE1 GLN A 205 -7.755 -10.897 -2.722 1.00 0.83 O +ATOM 1572 N THR A 206 -4.855 -14.594 -0.248 1.00 0.90 N +ATOM 1573 CA THR A 206 -4.473 -15.813 -0.953 1.00 0.90 C +ATOM 1574 C THR A 206 -5.550 -16.218 -1.955 1.00 0.90 C +ATOM 1575 CB THR A 206 -4.222 -16.971 0.031 1.00 0.88 C +ATOM 1576 O THR A 206 -6.744 -16.125 -1.663 1.00 0.89 O +ATOM 1577 CG2 THR A 206 -3.740 -18.219 -0.701 1.00 0.82 C +ATOM 1578 OG1 THR A 206 -3.226 -16.574 0.982 1.00 0.85 O +ATOM 1579 N PHE A 207 -5.095 -16.766 -3.131 1.00 0.88 N +ATOM 1580 CA PHE A 207 -5.931 -17.233 -4.231 1.00 0.89 C +ATOM 1581 C PHE A 207 -5.742 -18.728 -4.458 1.00 0.88 C +ATOM 1582 CB PHE A 207 -5.613 -16.461 -5.515 1.00 0.87 C +ATOM 1583 O PHE A 207 -4.619 -19.191 -4.671 1.00 0.86 O +ATOM 1584 CG PHE A 207 -5.662 -14.966 -5.353 1.00 0.86 C +ATOM 1585 CD1 PHE A 207 -6.880 -14.297 -5.321 1.00 0.82 C +ATOM 1586 CD2 PHE A 207 -4.491 -14.230 -5.234 1.00 0.83 C +ATOM 1587 CE1 PHE A 207 -6.929 -12.912 -5.172 1.00 0.82 C +ATOM 1588 CE2 PHE A 207 -4.532 -12.846 -5.084 1.00 0.82 C +ATOM 1589 CZ PHE A 207 -5.752 -12.190 -5.054 1.00 0.81 C +ATOM 1590 N SER A 208 -6.811 -19.592 -4.462 1.00 0.88 N +ATOM 1591 CA SER A 208 -6.704 -21.029 -4.693 1.00 0.87 C +ATOM 1592 C SER A 208 -6.656 -21.347 -6.184 1.00 0.84 C +ATOM 1593 CB SER A 208 -7.876 -21.766 -4.044 1.00 0.84 C +ATOM 1594 O SER A 208 -6.027 -22.325 -6.595 1.00 0.79 O +ATOM 1595 OG SER A 208 -9.113 -21.249 -4.506 1.00 0.79 O +ATOM 1596 N GLY A 209 -6.887 -20.504 -7.177 1.00 0.90 N +ATOM 1597 CA GLY A 209 -6.959 -20.756 -8.607 1.00 0.90 C +ATOM 1598 C GLY A 209 -6.179 -19.748 -9.430 1.00 0.90 C +ATOM 1599 O GLY A 209 -6.076 -19.884 -10.651 1.00 0.88 O +ATOM 1600 N GLY A 210 -5.506 -18.809 -8.833 1.00 0.92 N +ATOM 1601 CA GLY A 210 -4.851 -17.694 -9.499 1.00 0.92 C +ATOM 1602 C GLY A 210 -5.739 -16.471 -9.628 1.00 0.92 C +ATOM 1603 O GLY A 210 -6.720 -16.329 -8.894 1.00 0.91 O +ATOM 1604 N VAL A 211 -5.383 -15.592 -10.588 1.00 0.92 N +ATOM 1605 CA VAL A 211 -6.043 -14.303 -10.767 1.00 0.92 C +ATOM 1606 C VAL A 211 -6.373 -14.092 -12.243 1.00 0.93 C +ATOM 1607 CB VAL A 211 -5.170 -13.141 -10.244 1.00 0.89 C +ATOM 1608 O VAL A 211 -5.567 -14.418 -13.118 1.00 0.92 O +ATOM 1609 CG1 VAL A 211 -5.847 -11.797 -10.506 1.00 0.74 C +ATOM 1610 CG2 VAL A 211 -4.884 -13.317 -8.754 1.00 0.74 C +ATOM 1611 N VAL A 212 -7.563 -13.628 -12.531 1.00 0.93 N +ATOM 1612 CA VAL A 212 -7.918 -13.125 -13.854 1.00 0.93 C +ATOM 1613 C VAL A 212 -7.731 -11.610 -13.899 1.00 0.93 C +ATOM 1614 CB VAL A 212 -9.371 -13.494 -14.231 1.00 0.92 C +ATOM 1615 O VAL A 212 -8.314 -10.882 -13.092 1.00 0.92 O +ATOM 1616 CG1 VAL A 212 -9.686 -13.058 -15.660 1.00 0.91 C +ATOM 1617 CG2 VAL A 212 -9.600 -14.995 -14.063 1.00 0.91 C +ATOM 1618 N LEU A 213 -6.890 -11.163 -14.795 1.00 0.93 N +ATOM 1619 CA LEU A 213 -6.684 -9.752 -15.102 1.00 0.93 C +ATOM 1620 C LEU A 213 -7.358 -9.378 -16.418 1.00 0.93 C +ATOM 1621 CB LEU A 213 -5.189 -9.431 -15.172 1.00 0.90 C +ATOM 1622 O LEU A 213 -7.028 -9.932 -17.469 1.00 0.92 O +ATOM 1623 CG LEU A 213 -4.820 -7.968 -15.427 1.00 0.79 C +ATOM 1624 CD1 LEU A 213 -5.247 -7.101 -14.247 1.00 0.71 C +ATOM 1625 CD2 LEU A 213 -3.324 -7.831 -15.684 1.00 0.71 C +ATOM 1626 N THR A 214 -8.312 -8.434 -16.364 1.00 0.92 N +ATOM 1627 CA THR A 214 -8.937 -7.852 -17.546 1.00 0.92 C +ATOM 1628 C THR A 214 -8.557 -6.381 -17.690 1.00 0.92 C +ATOM 1629 CB THR A 214 -10.470 -7.985 -17.491 1.00 0.92 C +ATOM 1630 O THR A 214 -8.782 -5.584 -16.776 1.00 0.91 O +ATOM 1631 CG2 THR A 214 -11.114 -7.465 -18.771 1.00 0.91 C +ATOM 1632 OG1 THR A 214 -10.817 -9.365 -17.321 1.00 0.92 O +ATOM 1633 N LEU A 215 -7.991 -5.992 -18.807 1.00 0.90 N +ATOM 1634 CA LEU A 215 -7.658 -4.614 -19.153 1.00 0.90 C +ATOM 1635 C LEU A 215 -8.584 -4.090 -20.246 1.00 0.90 C +ATOM 1636 CB LEU A 215 -6.201 -4.513 -19.611 1.00 0.89 C +ATOM 1637 O LEU A 215 -8.828 -4.776 -21.241 1.00 0.89 O +ATOM 1638 CG LEU A 215 -5.143 -4.990 -18.614 1.00 0.88 C +ATOM 1639 CD1 LEU A 215 -3.744 -4.737 -19.166 1.00 0.86 C +ATOM 1640 CD2 LEU A 215 -5.325 -4.297 -17.268 1.00 0.86 C +ATOM 1641 N THR A 216 -9.075 -2.883 -20.055 1.00 0.90 N +ATOM 1642 CA THR A 216 -9.669 -2.141 -21.162 1.00 0.90 C +ATOM 1643 C THR A 216 -8.610 -1.321 -21.893 1.00 0.89 C +ATOM 1644 CB THR A 216 -10.794 -1.212 -20.672 1.00 0.89 C +ATOM 1645 O THR A 216 -8.125 -0.316 -21.369 1.00 0.88 O +ATOM 1646 CG2 THR A 216 -11.537 -0.581 -21.845 1.00 0.88 C +ATOM 1647 OG1 THR A 216 -11.723 -1.968 -19.885 1.00 0.90 O +ATOM 1648 N VAL A 217 -8.225 -1.772 -23.054 1.00 0.88 N +ATOM 1649 CA VAL A 217 -7.223 -1.181 -23.936 1.00 0.88 C +ATOM 1650 C VAL A 217 -7.897 -0.642 -25.196 1.00 0.88 C +ATOM 1651 CB VAL A 217 -6.126 -2.202 -24.312 1.00 0.88 C +ATOM 1652 O VAL A 217 -8.578 -1.383 -25.908 1.00 0.87 O +ATOM 1653 CG1 VAL A 217 -4.992 -1.518 -25.074 1.00 0.86 C +ATOM 1654 CG2 VAL A 217 -5.591 -2.895 -23.061 1.00 0.85 C +ATOM 1655 N ASP A 218 -7.847 0.667 -25.464 1.00 0.87 N +ATOM 1656 CA ASP A 218 -8.436 1.384 -26.591 1.00 0.87 C +ATOM 1657 C ASP A 218 -9.926 1.076 -26.718 1.00 0.87 C +ATOM 1658 CB ASP A 218 -7.712 1.028 -27.891 1.00 0.86 C +ATOM 1659 O ASP A 218 -10.442 0.930 -27.828 1.00 0.86 O +ATOM 1660 CG ASP A 218 -6.260 1.472 -27.902 1.00 0.86 C +ATOM 1661 OD1 ASP A 218 -5.951 2.560 -27.369 1.00 0.85 O +ATOM 1662 OD2 ASP A 218 -5.418 0.729 -28.451 1.00 0.85 O +ATOM 1663 N GLY A 219 -10.636 0.840 -25.547 1.00 0.89 N +ATOM 1664 CA GLY A 219 -12.070 0.623 -25.439 1.00 0.89 C +ATOM 1665 C GLY A 219 -12.465 -0.836 -25.561 1.00 0.90 C +ATOM 1666 O GLY A 219 -13.634 -1.186 -25.385 1.00 0.90 O +ATOM 1667 N MET A 220 -11.508 -1.739 -25.767 1.00 0.90 N +ATOM 1668 CA MET A 220 -11.739 -3.178 -25.852 1.00 0.91 C +ATOM 1669 C MET A 220 -11.230 -3.886 -24.601 1.00 0.91 C +ATOM 1670 CB MET A 220 -11.061 -3.759 -27.094 1.00 0.89 C +ATOM 1671 O MET A 220 -10.189 -3.516 -24.053 1.00 0.91 O +ATOM 1672 CG MET A 220 -11.642 -3.251 -28.404 1.00 0.84 C +ATOM 1673 SD MET A 220 -10.872 -4.044 -29.869 1.00 0.87 S +ATOM 1674 CE MET A 220 -9.294 -3.150 -29.925 1.00 0.76 C +ATOM 1675 N GLU A 221 -11.896 -4.960 -24.193 1.00 0.92 N +ATOM 1676 CA GLU A 221 -11.473 -5.745 -23.038 1.00 0.92 C +ATOM 1677 C GLU A 221 -10.623 -6.939 -23.463 1.00 0.92 C +ATOM 1678 CB GLU A 221 -12.687 -6.221 -22.237 1.00 0.91 C +ATOM 1679 O GLU A 221 -11.012 -7.698 -24.354 1.00 0.91 O +ATOM 1680 CG GLU A 221 -13.472 -5.095 -21.581 1.00 0.87 C +ATOM 1681 CD GLU A 221 -14.393 -5.573 -20.470 1.00 0.85 C +ATOM 1682 OE1 GLU A 221 -14.852 -6.737 -20.521 1.00 0.86 O +ATOM 1683 OE2 GLU A 221 -14.659 -4.777 -19.542 1.00 0.86 O +ATOM 1684 N TYR A 222 -9.489 -7.063 -22.805 1.00 0.92 N +ATOM 1685 CA TYR A 222 -8.565 -8.182 -22.955 1.00 0.93 C +ATOM 1686 C TYR A 222 -8.276 -8.835 -21.609 1.00 0.93 C +ATOM 1687 CB TYR A 222 -7.257 -7.715 -23.601 1.00 0.92 C +ATOM 1688 O TYR A 222 -7.903 -8.156 -20.650 1.00 0.92 O +ATOM 1689 CG TYR A 222 -7.440 -7.093 -24.964 1.00 0.91 C +ATOM 1690 CD1 TYR A 222 -7.472 -7.881 -26.112 1.00 0.89 C +ATOM 1691 CD2 TYR A 222 -7.582 -5.717 -25.106 1.00 0.89 C +ATOM 1692 CE1 TYR A 222 -7.639 -7.312 -27.370 1.00 0.88 C +ATOM 1693 CE2 TYR A 222 -7.749 -5.137 -26.359 1.00 0.89 C +ATOM 1694 OH TYR A 222 -7.943 -5.373 -28.727 1.00 0.85 O +ATOM 1695 CZ TYR A 222 -7.777 -5.941 -27.484 1.00 0.88 C +ATOM 1696 N SER A 223 -8.368 -10.150 -21.594 1.00 0.94 N +ATOM 1697 CA SER A 223 -8.185 -10.863 -20.333 1.00 0.94 C +ATOM 1698 C SER A 223 -7.036 -11.861 -20.425 1.00 0.94 C +ATOM 1699 CB SER A 223 -9.471 -11.589 -19.937 1.00 0.93 C +ATOM 1700 O SER A 223 -6.787 -12.433 -21.488 1.00 0.93 O +ATOM 1701 OG SER A 223 -10.531 -10.667 -19.745 1.00 0.88 O +ATOM 1702 N VAL A 224 -6.380 -12.037 -19.281 1.00 0.94 N +ATOM 1703 CA VAL A 224 -5.385 -13.085 -19.078 1.00 0.94 C +ATOM 1704 C VAL A 224 -5.562 -13.704 -17.693 1.00 0.94 C +ATOM 1705 CB VAL A 224 -3.948 -12.542 -19.240 1.00 0.94 C +ATOM 1706 O VAL A 224 -5.790 -12.992 -16.712 1.00 0.93 O +ATOM 1707 CG1 VAL A 224 -3.646 -11.487 -18.176 1.00 0.89 C +ATOM 1708 CG2 VAL A 224 -2.935 -13.683 -19.167 1.00 0.89 C +ATOM 1709 N THR A 225 -5.434 -15.021 -17.680 1.00 0.94 N +ATOM 1710 CA THR A 225 -5.383 -15.757 -16.422 1.00 0.94 C +ATOM 1711 C THR A 225 -3.938 -15.957 -15.971 1.00 0.94 C +ATOM 1712 CB THR A 225 -6.079 -17.125 -16.546 1.00 0.93 C +ATOM 1713 O THR A 225 -3.122 -16.509 -16.712 1.00 0.93 O +ATOM 1714 CG2 THR A 225 -6.074 -17.867 -15.214 1.00 0.88 C +ATOM 1715 OG1 THR A 225 -7.434 -16.928 -16.966 1.00 0.91 O +ATOM 1716 N ILE A 226 -3.647 -15.449 -14.738 1.00 0.94 N +ATOM 1717 CA ILE A 226 -2.403 -15.751 -14.038 1.00 0.94 C +ATOM 1718 C ILE A 226 -2.608 -16.951 -13.117 1.00 0.94 C +ATOM 1719 CB ILE A 226 -1.900 -14.534 -13.230 1.00 0.94 C +ATOM 1720 O ILE A 226 -3.327 -16.860 -12.119 1.00 0.93 O +ATOM 1721 CG1 ILE A 226 -1.859 -13.284 -14.116 1.00 0.92 C +ATOM 1722 CG2 ILE A 226 -0.523 -14.820 -12.624 1.00 0.92 C +ATOM 1723 CD1 ILE A 226 -1.451 -12.015 -13.380 1.00 0.90 C +ATOM 1724 N PRO A 227 -2.063 -18.127 -13.429 1.00 0.93 N +ATOM 1725 CA PRO A 227 -2.301 -19.333 -12.633 1.00 0.93 C +ATOM 1726 C PRO A 227 -1.680 -19.252 -11.240 1.00 0.94 C +ATOM 1727 CB PRO A 227 -1.643 -20.439 -13.461 1.00 0.93 C +ATOM 1728 O PRO A 227 -0.710 -18.519 -11.034 1.00 0.93 O +ATOM 1729 CG PRO A 227 -0.530 -19.758 -14.191 1.00 0.92 C +ATOM 1730 CD PRO A 227 -0.967 -18.363 -14.533 1.00 0.92 C +ATOM 1731 N ALA A 228 -2.167 -20.060 -10.283 1.00 0.93 N +ATOM 1732 CA ALA A 228 -1.843 -20.004 -8.860 1.00 0.93 C +ATOM 1733 C ALA A 228 -0.374 -20.340 -8.618 1.00 0.92 C +ATOM 1734 CB ALA A 228 -2.740 -20.955 -8.072 1.00 0.92 C +ATOM 1735 O ALA A 228 0.224 -19.873 -7.647 1.00 0.91 O +ATOM 1736 N ASN A 229 0.277 -21.066 -9.478 1.00 0.92 N +ATOM 1737 CA ASN A 229 1.698 -21.373 -9.345 1.00 0.92 C +ATOM 1738 C ASN A 229 2.567 -20.171 -9.704 1.00 0.90 C +ATOM 1739 CB ASN A 229 2.070 -22.576 -10.214 1.00 0.91 C +ATOM 1740 O ASN A 229 3.777 -20.185 -9.475 1.00 0.89 O +ATOM 1741 CG ASN A 229 1.957 -22.282 -11.698 1.00 0.90 C +ATOM 1742 ND2 ASN A 229 2.847 -22.870 -12.488 1.00 0.92 N +ATOM 1743 OD1 ASN A 229 1.077 -21.533 -12.129 1.00 0.90 O +ATOM 1744 N LYS A 230 2.017 -19.097 -10.225 1.00 0.92 N +ATOM 1745 CA LYS A 230 2.694 -17.846 -10.555 1.00 0.92 C +ATOM 1746 C LYS A 230 2.285 -16.730 -9.598 1.00 0.91 C +ATOM 1747 CB LYS A 230 2.392 -17.437 -11.997 1.00 0.91 C +ATOM 1748 O LYS A 230 3.112 -15.902 -9.213 1.00 0.89 O +ATOM 1749 CG LYS A 230 2.921 -18.410 -13.041 1.00 0.86 C +ATOM 1750 CD LYS A 230 2.825 -17.829 -14.446 1.00 0.81 C +ATOM 1751 CE LYS A 230 3.427 -18.769 -15.482 1.00 0.80 C +ATOM 1752 NZ LYS A 230 3.583 -18.102 -16.809 1.00 0.80 N +ATOM 1753 N LEU A 231 1.035 -16.644 -9.275 1.00 0.90 N +ATOM 1754 CA LEU A 231 0.513 -15.641 -8.353 1.00 0.91 C +ATOM 1755 C LEU A 231 -0.628 -16.212 -7.518 1.00 0.89 C +ATOM 1756 CB LEU A 231 0.031 -14.407 -9.121 1.00 0.90 C +ATOM 1757 O LEU A 231 -1.789 -16.168 -7.933 1.00 0.87 O +ATOM 1758 CG LEU A 231 -0.405 -13.210 -8.276 1.00 0.88 C +ATOM 1759 CD1 LEU A 231 0.742 -12.744 -7.384 1.00 0.84 C +ATOM 1760 CD2 LEU A 231 -0.891 -12.073 -9.168 1.00 0.84 C +ATOM 1761 N SER A 232 -0.255 -16.725 -6.309 1.00 0.91 N +ATOM 1762 CA SER A 232 -1.217 -17.375 -5.424 1.00 0.91 C +ATOM 1763 C SER A 232 -1.546 -16.496 -4.223 1.00 0.90 C +ATOM 1764 CB SER A 232 -0.678 -18.725 -4.947 1.00 0.90 C +ATOM 1765 O SER A 232 -2.494 -16.773 -3.485 1.00 0.88 O +ATOM 1766 OG SER A 232 0.613 -18.580 -4.382 1.00 0.88 O +ATOM 1767 N THR A 233 -0.689 -15.519 -3.963 1.00 0.90 N +ATOM 1768 CA THR A 233 -0.843 -14.675 -2.783 1.00 0.90 C +ATOM 1769 C THR A 233 -0.394 -13.247 -3.078 1.00 0.90 C +ATOM 1770 CB THR A 233 -0.045 -15.232 -1.590 1.00 0.88 C +ATOM 1771 O THR A 233 0.556 -13.033 -3.834 1.00 0.89 O +ATOM 1772 CG2 THR A 233 -0.529 -16.626 -1.207 1.00 0.78 C +ATOM 1773 OG1 THR A 233 1.343 -15.299 -1.941 1.00 0.81 O +ATOM 1774 N PHE A 234 -1.035 -12.293 -2.462 1.00 0.89 N +ATOM 1775 CA PHE A 234 -0.513 -10.955 -2.211 1.00 0.89 C +ATOM 1776 C PHE A 234 -0.091 -10.802 -0.755 1.00 0.88 C +ATOM 1777 CB PHE A 234 -1.556 -9.893 -2.570 1.00 0.88 C +ATOM 1778 O PHE A 234 -0.890 -11.032 0.156 1.00 0.86 O +ATOM 1779 CG PHE A 234 -1.821 -9.777 -4.047 1.00 0.88 C +ATOM 1780 CD1 PHE A 234 -0.779 -9.555 -4.939 1.00 0.86 C +ATOM 1781 CD2 PHE A 234 -3.114 -9.889 -4.543 1.00 0.86 C +ATOM 1782 CE1 PHE A 234 -1.022 -9.447 -6.306 1.00 0.85 C +ATOM 1783 CE2 PHE A 234 -3.364 -9.782 -5.908 1.00 0.86 C +ATOM 1784 CZ PHE A 234 -2.317 -9.560 -6.788 1.00 0.84 C +ATOM 1785 N VAL A 235 1.171 -10.499 -0.589 1.00 0.87 N +ATOM 1786 CA VAL A 235 1.746 -10.237 0.727 1.00 0.87 C +ATOM 1787 C VAL A 235 1.960 -8.735 0.907 1.00 0.86 C +ATOM 1788 CB VAL A 235 3.079 -10.992 0.925 1.00 0.86 C +ATOM 1789 O VAL A 235 2.447 -8.058 -0.001 1.00 0.85 O +ATOM 1790 CG1 VAL A 235 3.642 -10.737 2.322 1.00 0.84 C +ATOM 1791 CG2 VAL A 235 2.883 -12.489 0.689 1.00 0.83 C +ATOM 1792 N ARG A 236 1.623 -8.183 1.995 1.00 0.85 N +ATOM 1793 CA ARG A 236 1.859 -6.774 2.294 1.00 0.84 C +ATOM 1794 C ARG A 236 3.334 -6.421 2.141 1.00 0.84 C +ATOM 1795 CB ARG A 236 1.384 -6.438 3.710 1.00 0.83 C +ATOM 1796 O ARG A 236 4.207 -7.250 2.407 1.00 0.83 O +ATOM 1797 CG ARG A 236 2.132 -7.184 4.803 1.00 0.78 C +ATOM 1798 CD ARG A 236 1.589 -6.851 6.186 1.00 0.74 C +ATOM 1799 NE ARG A 236 2.287 -7.592 7.232 1.00 0.67 N +ATOM 1800 NH1 ARG A 236 0.806 -7.023 8.912 1.00 0.55 N +ATOM 1801 NH2 ARG A 236 2.610 -8.360 9.372 1.00 0.51 N +ATOM 1802 CZ ARG A 236 1.900 -7.657 8.503 1.00 0.68 C +ATOM 1803 N GLY A 237 3.523 -5.186 1.702 1.00 0.82 N +ATOM 1804 CA GLY A 237 4.878 -4.694 1.511 1.00 0.82 C +ATOM 1805 C GLY A 237 5.560 -5.283 0.291 1.00 0.82 C +ATOM 1806 O GLY A 237 6.674 -4.884 -0.057 1.00 0.81 O +ATOM 1807 N THR A 238 4.927 -6.177 -0.439 1.00 0.84 N +ATOM 1808 CA THR A 238 5.509 -6.812 -1.616 1.00 0.84 C +ATOM 1809 C THR A 238 4.956 -6.190 -2.895 1.00 0.85 C +ATOM 1810 CB THR A 238 5.242 -8.328 -1.622 1.00 0.83 C +ATOM 1811 O THR A 238 3.747 -5.981 -3.018 1.00 0.84 O +ATOM 1812 CG2 THR A 238 5.916 -9.001 -2.814 1.00 0.81 C +ATOM 1813 OG1 THR A 238 5.752 -8.902 -0.412 1.00 0.83 O +ATOM 1814 N LYS A 239 5.858 -5.910 -3.781 1.00 0.84 N +ATOM 1815 CA LYS A 239 5.536 -5.451 -5.129 1.00 0.84 C +ATOM 1816 C LYS A 239 5.577 -6.604 -6.128 1.00 0.85 C +ATOM 1817 CB LYS A 239 6.500 -4.346 -5.565 1.00 0.83 C +ATOM 1818 O LYS A 239 6.601 -7.277 -6.265 1.00 0.84 O +ATOM 1819 CG LYS A 239 6.194 -3.762 -6.936 1.00 0.79 C +ATOM 1820 CD LYS A 239 7.133 -2.611 -7.276 1.00 0.77 C +ATOM 1821 CE LYS A 239 6.927 -2.124 -8.703 1.00 0.70 C +ATOM 1822 NZ LYS A 239 7.982 -1.150 -9.114 1.00 0.67 N +ATOM 1823 N TYR A 240 4.512 -6.792 -6.790 1.00 0.87 N +ATOM 1824 CA TYR A 240 4.355 -7.756 -7.873 1.00 0.88 C +ATOM 1825 C TYR A 240 4.335 -7.057 -9.228 1.00 0.87 C +ATOM 1826 CB TYR A 240 3.071 -8.570 -7.687 1.00 0.88 C +ATOM 1827 O TYR A 240 3.495 -6.187 -9.472 1.00 0.87 O +ATOM 1828 CG TYR A 240 3.012 -9.319 -6.378 1.00 0.89 C +ATOM 1829 CD1 TYR A 240 3.393 -10.657 -6.300 1.00 0.88 C +ATOM 1830 CD2 TYR A 240 2.574 -8.692 -5.216 1.00 0.89 C +ATOM 1831 CE1 TYR A 240 3.338 -11.352 -5.097 1.00 0.88 C +ATOM 1832 CE2 TYR A 240 2.515 -9.377 -4.007 1.00 0.88 C +ATOM 1833 OH TYR A 240 2.843 -11.387 -2.763 1.00 0.86 O +ATOM 1834 CZ TYR A 240 2.899 -10.704 -3.957 1.00 0.88 C +ATOM 1835 N ILE A 241 5.242 -7.399 -10.064 1.00 0.86 N +ATOM 1836 CA ILE A 241 5.288 -6.837 -11.409 1.00 0.86 C +ATOM 1837 C ILE A 241 4.841 -7.887 -12.423 1.00 0.87 C +ATOM 1838 CB ILE A 241 6.701 -6.321 -11.759 1.00 0.85 C +ATOM 1839 O ILE A 241 5.499 -8.917 -12.590 1.00 0.86 O +ATOM 1840 CG1 ILE A 241 7.188 -5.332 -10.693 1.00 0.83 C +ATOM 1841 CG2 ILE A 241 6.713 -5.678 -13.149 1.00 0.83 C +ATOM 1842 CD1 ILE A 241 8.660 -4.963 -10.817 1.00 0.80 C +ATOM 1843 N VAL A 242 3.750 -7.656 -13.049 1.00 0.90 N +ATOM 1844 CA VAL A 242 3.184 -8.483 -14.110 1.00 0.90 C +ATOM 1845 C VAL A 242 3.381 -7.798 -15.460 1.00 0.90 C +ATOM 1846 CB VAL A 242 1.685 -8.766 -13.869 1.00 0.90 C +ATOM 1847 O VAL A 242 2.789 -6.749 -15.724 1.00 0.89 O +ATOM 1848 CG1 VAL A 242 1.126 -9.679 -14.960 1.00 0.88 C +ATOM 1849 CG2 VAL A 242 1.473 -9.386 -12.489 1.00 0.88 C +ATOM 1850 N SER A 243 4.256 -8.400 -16.289 1.00 0.88 N +ATOM 1851 CA SER A 243 4.519 -7.917 -17.641 1.00 0.89 C +ATOM 1852 C SER A 243 3.581 -8.568 -18.652 1.00 0.89 C +ATOM 1853 CB SER A 243 5.972 -8.187 -18.033 1.00 0.87 C +ATOM 1854 O SER A 243 3.527 -9.796 -18.756 1.00 0.88 O +ATOM 1855 OG SER A 243 6.863 -7.558 -17.127 1.00 0.84 O +ATOM 1856 N LEU A 244 2.850 -7.730 -19.388 1.00 0.90 N +ATOM 1857 CA LEU A 244 1.803 -8.124 -20.323 1.00 0.90 C +ATOM 1858 C LEU A 244 2.099 -7.598 -21.724 1.00 0.89 C +ATOM 1859 CB LEU A 244 0.440 -7.610 -19.850 1.00 0.90 C +ATOM 1860 O LEU A 244 2.697 -6.531 -21.877 1.00 0.88 O +ATOM 1861 CG LEU A 244 -0.008 -8.060 -18.459 1.00 0.90 C +ATOM 1862 CD1 LEU A 244 -1.236 -7.271 -18.016 1.00 0.89 C +ATOM 1863 CD2 LEU A 244 -0.297 -9.558 -18.449 1.00 0.89 C +ATOM 1864 N ALA A 245 1.661 -8.342 -22.694 1.00 0.89 N +ATOM 1865 CA ALA A 245 1.661 -7.887 -24.082 1.00 0.89 C +ATOM 1866 C ALA A 245 0.258 -7.945 -24.679 1.00 0.89 C +ATOM 1867 CB ALA A 245 2.627 -8.724 -24.917 1.00 0.88 C +ATOM 1868 O ALA A 245 -0.441 -8.953 -24.541 1.00 0.89 O +ATOM 1869 N VAL A 246 -0.159 -6.873 -25.363 1.00 0.89 N +ATOM 1870 CA VAL A 246 -1.326 -6.914 -26.238 1.00 0.89 C +ATOM 1871 C VAL A 246 -0.904 -7.340 -27.643 1.00 0.88 C +ATOM 1872 CB VAL A 246 -2.045 -5.547 -26.290 1.00 0.88 C +ATOM 1873 O VAL A 246 -0.225 -6.590 -28.348 1.00 0.87 O +ATOM 1874 CG1 VAL A 246 -3.366 -5.659 -27.049 1.00 0.84 C +ATOM 1875 CG2 VAL A 246 -2.280 -5.015 -24.877 1.00 0.83 C +ATOM 1876 N LYS A 247 -1.170 -8.569 -27.956 1.00 0.88 N +ATOM 1877 CA LYS A 247 -0.742 -9.206 -29.198 1.00 0.88 C +ATOM 1878 C LYS A 247 -1.908 -9.913 -29.884 1.00 0.88 C +ATOM 1879 CB LYS A 247 0.388 -10.202 -28.929 1.00 0.86 C +ATOM 1880 O LYS A 247 -2.581 -10.747 -29.274 1.00 0.87 O +ATOM 1881 CG LYS A 247 0.927 -10.879 -30.180 1.00 0.81 C +ATOM 1882 CD LYS A 247 2.164 -11.714 -29.875 1.00 0.78 C +ATOM 1883 CE LYS A 247 2.749 -12.331 -31.138 1.00 0.74 C +ATOM 1884 NZ LYS A 247 4.121 -12.874 -30.905 1.00 0.73 N +ATOM 1885 N GLY A 248 -2.182 -9.594 -31.159 1.00 0.84 N +ATOM 1886 CA GLY A 248 -3.166 -10.291 -31.972 1.00 0.84 C +ATOM 1887 C GLY A 248 -4.556 -10.285 -31.362 1.00 0.83 C +ATOM 1888 O GLY A 248 -5.241 -11.310 -31.358 1.00 0.81 O +ATOM 1889 N GLY A 249 -5.007 -9.257 -30.682 1.00 0.84 N +ATOM 1890 CA GLY A 249 -6.303 -9.161 -30.029 1.00 0.85 C +ATOM 1891 C GLY A 249 -6.387 -9.970 -28.748 1.00 0.85 C +ATOM 1892 O GLY A 249 -7.477 -10.359 -28.324 1.00 0.84 O +ATOM 1893 N LYS A 250 -5.329 -10.287 -28.138 1.00 0.89 N +ATOM 1894 CA LYS A 250 -5.257 -11.012 -26.873 1.00 0.90 C +ATOM 1895 C LYS A 250 -4.291 -10.335 -25.905 1.00 0.90 C +ATOM 1896 CB LYS A 250 -4.831 -12.462 -27.109 1.00 0.89 C +ATOM 1897 O LYS A 250 -3.283 -9.763 -26.325 1.00 0.90 O +ATOM 1898 CG LYS A 250 -5.817 -13.269 -27.942 1.00 0.87 C +ATOM 1899 CD LYS A 250 -5.379 -14.722 -28.073 1.00 0.86 C +ATOM 1900 CE LYS A 250 -6.367 -15.531 -28.903 1.00 0.86 C +ATOM 1901 NZ LYS A 250 -5.962 -16.966 -29.002 1.00 0.87 N +ATOM 1902 N LEU A 251 -4.533 -10.429 -24.697 1.00 0.92 N +ATOM 1903 CA LEU A 251 -3.601 -10.149 -23.610 1.00 0.92 C +ATOM 1904 C LEU A 251 -2.840 -11.408 -23.208 1.00 0.92 C +ATOM 1905 CB LEU A 251 -4.346 -9.581 -22.399 1.00 0.91 C +ATOM 1906 O LEU A 251 -3.447 -12.451 -22.953 1.00 0.90 O +ATOM 1907 CG LEU A 251 -3.481 -8.956 -21.303 1.00 0.88 C +ATOM 1908 CD1 LEU A 251 -2.793 -7.699 -21.824 1.00 0.84 C +ATOM 1909 CD2 LEU A 251 -4.323 -8.640 -20.072 1.00 0.84 C +ATOM 1910 N THR A 252 -1.494 -11.343 -23.184 1.00 0.92 N +ATOM 1911 CA THR A 252 -0.661 -12.491 -22.843 1.00 0.92 C +ATOM 1912 C THR A 252 0.360 -12.119 -21.772 1.00 0.92 C +ATOM 1913 CB THR A 252 0.068 -13.041 -24.082 1.00 0.91 C +ATOM 1914 O THR A 252 0.857 -10.991 -21.746 1.00 0.92 O +ATOM 1915 CG2 THR A 252 -0.921 -13.593 -25.103 1.00 0.83 C +ATOM 1916 OG1 THR A 252 0.826 -11.987 -24.690 1.00 0.86 O +ATOM 1917 N LEU A 253 0.738 -13.036 -20.952 1.00 0.92 N +ATOM 1918 CA LEU A 253 1.897 -12.900 -20.077 1.00 0.92 C +ATOM 1919 C LEU A 253 3.193 -12.951 -20.879 1.00 0.91 C +ATOM 1920 CB LEU A 253 1.898 -14.001 -19.013 1.00 0.90 C +ATOM 1921 O LEU A 253 3.412 -13.884 -21.655 1.00 0.89 O +ATOM 1922 CG LEU A 253 0.812 -13.908 -17.940 1.00 0.84 C +ATOM 1923 CD1 LEU A 253 0.724 -15.215 -17.160 1.00 0.78 C +ATOM 1924 CD2 LEU A 253 1.085 -12.737 -17.003 1.00 0.78 C +ATOM 1925 N MET A 254 4.059 -11.998 -20.661 1.00 0.89 N +ATOM 1926 CA MET A 254 5.307 -11.904 -21.413 1.00 0.89 C +ATOM 1927 C MET A 254 6.361 -12.844 -20.837 1.00 0.87 C +ATOM 1928 CB MET A 254 5.830 -10.467 -21.409 1.00 0.87 C +ATOM 1929 O MET A 254 7.291 -13.246 -21.539 1.00 0.84 O +ATOM 1930 CG MET A 254 4.994 -9.508 -22.242 1.00 0.81 C +ATOM 1931 SD MET A 254 5.767 -7.850 -22.393 1.00 0.81 S +ATOM 1932 CE MET A 254 7.265 -8.279 -23.322 1.00 0.72 C +ATOM 1933 N SER A 255 6.321 -13.057 -19.594 1.00 0.85 N +ATOM 1934 CA SER A 255 7.247 -13.951 -18.906 1.00 0.86 C +ATOM 1935 C SER A 255 6.500 -15.042 -18.146 1.00 0.87 C +ATOM 1936 CB SER A 255 8.137 -13.164 -17.943 1.00 0.83 C +ATOM 1937 O SER A 255 5.390 -14.818 -17.659 1.00 0.86 O +ATOM 1938 OG SER A 255 9.029 -14.030 -17.261 1.00 0.75 O +ATOM 1939 N ASP A 256 7.183 -16.088 -17.969 1.00 0.82 N +ATOM 1940 CA ASP A 256 6.726 -17.183 -17.119 1.00 0.84 C +ATOM 1941 C ASP A 256 6.889 -16.837 -15.641 1.00 0.83 C +ATOM 1942 CB ASP A 256 7.489 -18.469 -17.445 1.00 0.78 C +ATOM 1943 O ASP A 256 6.388 -17.553 -14.771 1.00 0.81 O +ATOM 1944 CG ASP A 256 7.086 -19.076 -18.778 1.00 0.70 C +ATOM 1945 OD1 ASP A 256 5.898 -18.986 -19.155 1.00 0.68 O +ATOM 1946 OD2 ASP A 256 7.965 -19.651 -19.456 1.00 0.77 O +ATOM 1947 N LYS A 257 7.493 -15.788 -15.359 1.00 0.81 N +ATOM 1948 CA LYS A 257 7.728 -15.350 -13.986 1.00 0.82 C +ATOM 1949 C LYS A 257 7.142 -13.962 -13.744 1.00 0.81 C +ATOM 1950 CB LYS A 257 9.225 -15.349 -13.671 1.00 0.78 C +ATOM 1951 O LYS A 257 7.379 -13.038 -14.525 1.00 0.79 O +ATOM 1952 CG LYS A 257 9.877 -16.721 -13.760 1.00 0.75 C +ATOM 1953 CD LYS A 257 11.351 -16.665 -13.381 1.00 0.72 C +ATOM 1954 CE LYS A 257 12.015 -18.029 -13.510 1.00 0.73 C +ATOM 1955 NZ LYS A 257 13.455 -17.984 -13.116 1.00 0.76 N +ATOM 1956 N ILE A 258 6.370 -13.839 -12.657 1.00 0.87 N +ATOM 1957 CA ILE A 258 6.082 -12.554 -12.029 1.00 0.89 C +ATOM 1958 C ILE A 258 7.291 -12.095 -11.217 1.00 0.85 C +ATOM 1959 CB ILE A 258 4.829 -12.634 -11.128 1.00 0.86 C +ATOM 1960 O ILE A 258 7.799 -12.838 -10.374 1.00 0.82 O +ATOM 1961 CG1 ILE A 258 3.597 -13.010 -11.959 1.00 0.79 C +ATOM 1962 CG2 ILE A 258 4.610 -11.310 -10.391 1.00 0.77 C +ATOM 1963 CD1 ILE A 258 2.323 -13.168 -11.140 1.00 0.77 C +ATOM 1964 N LEU A 259 7.799 -10.916 -11.608 1.00 0.84 N +ATOM 1965 CA LEU A 259 8.858 -10.358 -10.773 1.00 0.85 C +ATOM 1966 C LEU A 259 8.309 -9.924 -9.418 1.00 0.85 C +ATOM 1967 CB LEU A 259 9.522 -9.169 -11.472 1.00 0.82 C +ATOM 1968 O LEU A 259 7.297 -9.223 -9.349 1.00 0.83 O +ATOM 1969 CG LEU A 259 10.173 -9.456 -12.826 1.00 0.75 C +ATOM 1970 CD1 LEU A 259 10.724 -8.170 -13.433 1.00 0.70 C +ATOM 1971 CD2 LEU A 259 11.276 -10.499 -12.679 1.00 0.71 C +ATOM 1972 N ILE A 260 8.906 -10.381 -8.367 1.00 0.83 N +ATOM 1973 CA ILE A 260 8.560 -10.090 -6.980 1.00 0.83 C +ATOM 1974 C ILE A 260 9.690 -9.302 -6.320 1.00 0.81 C +ATOM 1975 CB ILE A 260 8.276 -11.385 -6.185 1.00 0.81 C +ATOM 1976 O ILE A 260 10.805 -9.808 -6.173 1.00 0.77 O +ATOM 1977 CG1 ILE A 260 7.174 -12.201 -6.871 1.00 0.79 C +ATOM 1978 CG2 ILE A 260 7.895 -11.057 -4.738 1.00 0.77 C +ATOM 1979 CD1 ILE A 260 6.868 -13.526 -6.187 1.00 0.77 C +ATOM 1980 N ASP A 261 9.331 -8.065 -6.077 1.00 0.80 N +ATOM 1981 CA ASP A 261 10.194 -7.180 -5.300 1.00 0.80 C +ATOM 1982 C ASP A 261 9.704 -7.064 -3.858 1.00 0.80 C +ATOM 1983 CB ASP A 261 10.262 -5.795 -5.945 1.00 0.78 C +ATOM 1984 O ASP A 261 8.652 -6.476 -3.599 1.00 0.78 O +ATOM 1985 CG ASP A 261 11.182 -4.840 -5.205 1.00 0.73 C +ATOM 1986 OD1 ASP A 261 11.820 -5.255 -4.213 1.00 0.71 O +ATOM 1987 OD2 ASP A 261 11.268 -3.663 -5.615 1.00 0.73 O +ATOM 1988 N LYS A 262 10.407 -7.768 -3.034 1.00 0.78 N +ATOM 1989 CA LYS A 262 10.060 -7.835 -1.617 1.00 0.77 C +ATOM 1990 C LYS A 262 10.518 -6.581 -0.879 1.00 0.75 C +ATOM 1991 CB LYS A 262 10.677 -9.078 -0.972 1.00 0.74 C +ATOM 1992 O LYS A 262 10.114 -6.343 0.261 1.00 0.70 O +ATOM 1993 CG LYS A 262 10.080 -10.389 -1.461 1.00 0.73 C +ATOM 1994 CD LYS A 262 10.599 -11.574 -0.656 1.00 0.71 C +ATOM 1995 CE LYS A 262 9.957 -12.880 -1.103 1.00 0.65 C +ATOM 1996 NZ LYS A 262 10.375 -14.026 -0.241 1.00 0.60 N +ATOM 1997 N ASP A 263 11.393 -5.801 -1.614 1.00 0.68 N +ATOM 1998 CA ASP A 263 11.997 -4.590 -1.068 1.00 0.67 C +ATOM 1999 C ASP A 263 11.364 -3.339 -1.673 1.00 0.66 C +ATOM 2000 CB ASP A 263 13.508 -4.585 -1.313 1.00 0.61 C +ATOM 2001 O ASP A 263 12.067 -2.467 -2.186 1.00 0.61 O +ATOM 2002 CG ASP A 263 14.222 -5.742 -0.636 1.00 0.55 C +ATOM 2003 OD1 ASP A 263 13.832 -6.126 0.488 1.00 0.54 O +ATOM 2004 OD2 ASP A 263 15.184 -6.273 -1.231 1.00 0.57 O +ATOM 2005 N TRP A 264 10.057 -3.521 -1.919 1.00 0.60 N +ATOM 2006 CA TRP A 264 9.428 -2.332 -2.485 1.00 0.66 C +ATOM 2007 C TRP A 264 9.906 -1.072 -1.771 1.00 0.59 C +ATOM 2008 CB TRP A 264 7.903 -2.437 -2.397 1.00 0.55 C +ATOM 2009 O TRP A 264 9.153 -0.458 -1.012 1.00 0.55 O +ATOM 2010 CG TRP A 264 7.177 -1.272 -3.001 1.00 0.50 C +ATOM 2011 CD1 TRP A 264 7.671 -0.372 -3.904 1.00 0.45 C +ATOM 2012 CD2 TRP A 264 5.826 -0.879 -2.740 1.00 0.47 C +ATOM 2013 CE2 TRP A 264 5.567 0.269 -3.521 1.00 0.43 C +ATOM 2014 CE3 TRP A 264 4.809 -1.388 -1.922 1.00 0.51 C +ATOM 2015 NE1 TRP A 264 6.707 0.557 -4.221 1.00 0.47 N +ATOM 2016 CH2 TRP A 264 3.352 0.399 -2.698 1.00 0.42 C +ATOM 2017 CZ2 TRP A 264 4.329 0.917 -3.507 1.00 0.49 C +ATOM 2018 CZ3 TRP A 264 3.578 -0.741 -1.909 1.00 0.38 C +ATOM 2019 N ALA A 265 11.247 -0.831 -1.771 1.00 0.62 N +ATOM 2020 CA ALA A 265 11.768 0.520 -1.575 1.00 0.61 C +ATOM 2021 C ALA A 265 11.210 1.480 -2.622 1.00 0.61 C +ATOM 2022 CB ALA A 265 13.294 0.514 -1.624 1.00 0.58 C +ATOM 2023 O ALA A 265 11.079 1.122 -3.795 1.00 0.59 O +ATOM 2024 N GLU A 266 10.595 2.570 -2.221 1.00 0.57 N +ATOM 2025 CA GLU A 266 10.444 3.634 -3.209 1.00 0.57 C +ATOM 2026 C GLU A 266 11.739 3.854 -3.986 1.00 0.57 C +ATOM 2027 CB GLU A 266 10.008 4.937 -2.533 1.00 0.54 C +ATOM 2028 O GLU A 266 12.769 4.198 -3.402 1.00 0.56 O +ATOM 2029 CG GLU A 266 8.983 5.730 -3.331 1.00 0.51 C +ATOM 2030 CD GLU A 266 8.405 6.908 -2.562 1.00 0.54 C +ATOM 2031 OE1 GLU A 266 8.837 7.152 -1.412 1.00 0.55 O +ATOM 2032 OE2 GLU A 266 7.513 7.590 -3.113 1.00 0.48 O +ATOM 2033 N VAL A 267 11.805 3.452 -5.232 1.00 0.51 N +ATOM 2034 CA VAL A 267 12.813 4.141 -6.031 1.00 0.49 C +ATOM 2035 C VAL A 267 12.717 5.647 -5.799 1.00 0.51 C +ATOM 2036 CB VAL A 267 12.660 3.823 -7.535 1.00 0.47 C +ATOM 2037 O VAL A 267 11.780 6.296 -6.272 1.00 0.49 O +ATOM 2038 CG1 VAL A 267 13.781 4.476 -8.342 1.00 0.41 C +ATOM 2039 CG2 VAL A 267 12.645 2.312 -7.762 1.00 0.42 C +ATOM 2040 N GLN A 268 13.320 6.178 -4.830 1.00 0.49 N +ATOM 2041 CA GLN A 268 13.513 7.615 -4.990 1.00 0.49 C +ATOM 2042 C GLN A 268 13.801 7.973 -6.445 1.00 0.49 C +ATOM 2043 CB GLN A 268 14.650 8.108 -4.093 1.00 0.46 C +ATOM 2044 O GLN A 268 14.851 7.615 -6.982 1.00 0.48 O +ATOM 2045 CG GLN A 268 14.338 8.028 -2.605 1.00 0.45 C +ATOM 2046 CD GLN A 268 14.544 9.350 -1.890 1.00 0.49 C +ATOM 2047 NE2 GLN A 268 13.896 9.510 -0.741 1.00 0.41 N +ATOM 2048 OE1 GLN A 268 15.280 10.220 -2.366 1.00 0.54 O +ATOM 2049 N THR A 269 12.795 8.234 -7.218 1.00 0.40 N +ATOM 2050 CA THR A 269 13.136 9.038 -8.386 1.00 0.40 C +ATOM 2051 C THR A 269 14.103 10.157 -8.009 1.00 0.41 C +ATOM 2052 CB THR A 269 11.877 9.642 -9.036 1.00 0.38 C +ATOM 2053 O THR A 269 13.686 11.204 -7.510 1.00 0.39 O +ATOM 2054 CG2 THR A 269 11.026 8.561 -9.694 1.00 0.35 C +ATOM 2055 OG1 THR A 269 11.098 10.302 -8.031 1.00 0.36 O +ATOM 2056 N GLY A 270 15.247 9.845 -7.605 1.00 0.46 N +ATOM 2057 CA GLY A 270 16.232 10.915 -7.637 1.00 0.46 C +ATOM 2058 C GLY A 270 16.011 11.895 -8.774 1.00 0.46 C +ATOM 2059 O GLY A 270 15.955 11.499 -9.940 1.00 0.45 O +ATOM 2060 N THR A 271 15.363 13.023 -8.487 1.00 0.49 N +ATOM 2061 CA THR A 271 15.254 14.130 -9.431 1.00 0.50 C +ATOM 2062 C THR A 271 16.587 14.376 -10.131 1.00 0.48 C +ATOM 2063 CB THR A 271 14.794 15.420 -8.728 1.00 0.45 C +ATOM 2064 O THR A 271 16.819 15.460 -10.671 1.00 0.47 O +ATOM 2065 CG2 THR A 271 13.293 15.395 -8.459 1.00 0.42 C +ATOM 2066 OG1 THR A 271 15.488 15.552 -7.481 1.00 0.46 O +ATOM 2067 N GLY A 272 17.338 13.207 -10.093 1.00 0.43 N +ATOM 2068 CA GLY A 272 18.574 13.455 -10.817 1.00 0.43 C +ATOM 2069 C GLY A 272 18.973 12.308 -11.727 1.00 0.43 C +ATOM 2070 O GLY A 272 20.104 12.261 -12.216 1.00 0.40 O +ATOM 2071 N GLY A 273 17.931 11.335 -11.933 1.00 0.42 N +ATOM 2072 CA GLY A 273 18.161 10.381 -13.006 1.00 0.43 C +ATOM 2073 C GLY A 273 16.988 10.264 -13.961 1.00 0.43 C +ATOM 2074 O GLY A 273 15.902 9.833 -13.568 1.00 0.41 O +ATOM 2075 N SER A 274 16.745 11.107 -14.852 1.00 0.40 N +ATOM 2076 CA SER A 274 16.080 10.806 -16.115 1.00 0.42 C +ATOM 2077 C SER A 274 16.447 9.413 -16.616 1.00 0.40 C +ATOM 2078 CB SER A 274 16.441 11.849 -17.174 1.00 0.38 C +ATOM 2079 O SER A 274 17.555 9.198 -17.111 1.00 0.39 O +ATOM 2080 OG SER A 274 17.848 11.959 -17.312 1.00 0.41 O +ATOM 2081 N GLY A 275 16.075 8.235 -15.857 1.00 0.40 N +ATOM 2082 CA GLY A 275 16.122 6.965 -16.565 1.00 0.43 C +ATOM 2083 C GLY A 275 16.333 5.777 -15.646 1.00 0.40 C +ATOM 2084 O GLY A 275 17.453 5.524 -15.197 1.00 0.39 O +ATOM 2085 N ASP A 276 15.534 5.204 -14.765 1.00 0.43 N +ATOM 2086 CA ASP A 276 15.348 3.761 -14.884 1.00 0.44 C +ATOM 2087 C ASP A 276 14.520 3.415 -16.119 1.00 0.43 C +ATOM 2088 CB ASP A 276 14.679 3.200 -13.628 1.00 0.40 C +ATOM 2089 O ASP A 276 13.291 3.511 -16.096 1.00 0.42 O +ATOM 2090 CG ASP A 276 15.596 3.201 -12.417 1.00 0.39 C +ATOM 2091 OD1 ASP A 276 16.829 3.083 -12.586 1.00 0.41 O +ATOM 2092 OD2 ASP A 276 15.081 3.317 -11.284 1.00 0.43 O +ATOM 2093 N ASP A 277 14.891 3.865 -17.286 1.00 0.41 N +ATOM 2094 CA ASP A 277 14.582 2.986 -18.409 1.00 0.41 C +ATOM 2095 C ASP A 277 14.312 1.560 -17.932 1.00 0.41 C +ATOM 2096 CB ASP A 277 15.724 2.992 -19.426 1.00 0.39 C +ATOM 2097 O ASP A 277 15.241 0.834 -17.573 1.00 0.40 O +ATOM 2098 CG ASP A 277 15.659 4.169 -20.384 1.00 0.37 C +ATOM 2099 OD1 ASP A 277 14.555 4.709 -20.612 1.00 0.40 O +ATOM 2100 OD2 ASP A 277 16.720 4.557 -20.918 1.00 0.48 O +ATOM 2101 N TYR A 278 13.339 1.253 -17.173 1.00 0.46 N +ATOM 2102 CA TYR A 278 12.952 -0.095 -17.574 1.00 0.48 C +ATOM 2103 C TYR A 278 13.243 -0.330 -19.051 1.00 0.47 C +ATOM 2104 CB TYR A 278 11.466 -0.335 -17.290 1.00 0.44 C +ATOM 2105 O TYR A 278 12.499 0.134 -19.918 1.00 0.45 O +ATOM 2106 CG TYR A 278 11.170 -0.679 -15.851 1.00 0.43 C +ATOM 2107 CD1 TYR A 278 11.293 -1.987 -15.388 1.00 0.41 C +ATOM 2108 CD2 TYR A 278 10.768 0.302 -14.951 1.00 0.42 C +ATOM 2109 CE1 TYR A 278 11.020 -2.310 -14.062 1.00 0.39 C +ATOM 2110 CE2 TYR A 278 10.492 -0.009 -13.624 1.00 0.44 C +ATOM 2111 OH TYR A 278 10.349 -1.629 -11.876 1.00 0.30 O +ATOM 2112 CZ TYR A 278 10.621 -1.315 -13.189 1.00 0.37 C +ATOM 2113 N ASP A 279 14.581 -0.240 -19.496 1.00 0.40 N +ATOM 2114 CA ASP A 279 14.777 -0.794 -20.833 1.00 0.41 C +ATOM 2115 C ASP A 279 13.689 -1.810 -21.171 1.00 0.41 C +ATOM 2116 CB ASP A 279 16.157 -1.444 -20.947 1.00 0.37 C +ATOM 2117 O ASP A 279 13.787 -2.981 -20.798 1.00 0.39 O +ATOM 2118 CG ASP A 279 16.595 -1.660 -22.385 1.00 0.36 C +ATOM 2119 OD1 ASP A 279 15.850 -1.276 -23.313 1.00 0.39 O +ATOM 2120 OD2 ASP A 279 17.692 -2.221 -22.592 1.00 0.46 O +ATOM 2121 N THR A 280 12.521 -1.260 -21.286 1.00 0.41 N +ATOM 2122 CA THR A 280 11.507 -1.916 -22.104 1.00 0.40 C +ATOM 2123 C THR A 280 12.072 -2.289 -23.471 1.00 0.41 C +ATOM 2124 CB THR A 280 10.268 -1.019 -22.284 1.00 0.38 C +ATOM 2125 O THR A 280 11.337 -2.335 -24.460 1.00 0.40 O +ATOM 2126 CG2 THR A 280 9.517 -0.848 -20.967 1.00 0.35 C +ATOM 2127 OG1 THR A 280 10.683 0.269 -22.755 1.00 0.36 O +ATOM 2128 N SER A 281 13.380 -2.225 -23.582 1.00 0.34 N +ATOM 2129 CA SER A 281 13.898 -2.873 -24.783 1.00 0.32 C +ATOM 2130 C SER A 281 13.835 -4.392 -24.662 1.00 0.34 C +ATOM 2131 CB SER A 281 15.338 -2.434 -25.051 1.00 0.30 C +ATOM 2132 O SER A 281 14.817 -5.031 -24.279 1.00 0.32 O +ATOM 2133 OG SER A 281 16.191 -2.834 -23.992 1.00 0.34 O +ATOM 2134 N PHE A 282 12.678 -4.994 -24.541 1.00 0.29 N +ATOM 2135 CA PHE A 282 12.438 -6.325 -25.087 1.00 0.36 C +ATOM 2136 C PHE A 282 12.437 -6.293 -26.610 1.00 0.30 C +ATOM 2137 CB PHE A 282 11.108 -6.886 -24.573 1.00 0.29 C +ATOM 2138 O PHE A 282 11.500 -5.779 -27.225 1.00 0.29 O +ATOM 2139 CG PHE A 282 11.109 -7.195 -23.100 1.00 0.30 C +ATOM 2140 CD1 PHE A 282 11.698 -8.358 -22.620 1.00 0.28 C +ATOM 2141 CD2 PHE A 282 10.520 -6.322 -22.195 1.00 0.30 C +ATOM 2142 CE1 PHE A 282 11.700 -8.647 -21.257 1.00 0.28 C +ATOM 2143 CE2 PHE A 282 10.518 -6.603 -20.832 1.00 0.35 C +ATOM 2144 CZ PHE A 282 11.108 -7.767 -20.365 1.00 0.27 C +ATOM 2145 N ASN A 283 13.630 -6.222 -27.337 1.00 0.32 N +ATOM 2146 CA ASN A 283 13.745 -6.699 -28.711 1.00 0.35 C +ATOM 2147 C ASN A 283 13.389 -8.178 -28.823 1.00 0.31 C +ATOM 2148 CB ASN A 283 15.156 -6.450 -29.250 1.00 0.30 C +ATOM 2149 O ASN A 283 13.710 -8.967 -27.933 1.00 0.29 O +ATOM 2150 CG ASN A 283 15.370 -5.014 -29.684 1.00 0.30 C +ATOM 2151 ND2 ASN A 283 16.611 -4.548 -29.602 1.00 0.33 N +ATOM 2152 OD1 ASN A 283 14.428 -4.327 -30.089 1.00 0.37 O \ No newline at end of file