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- PDB-5hip: Crystal Structure of PQS Response Protein PqsE in Complex with 2-... -

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基本情報

登録情報
データベース: PDB / ID: 5hip
タイトルCrystal Structure of PQS Response Protein PqsE in Complex with 2-(pyridin-3-yl)benzoic acid
要素PqsE
キーワードMETAL BINDING PROTEIN / quorum sensing / pqs / pqsE / inhibitor / pseudomonas
機能・相同性
機能・相同性情報


2-aminobenzoylacetyl-CoA thioesterase / secondary metabolite biosynthetic process / hydrolase activity / metal ion binding
類似検索 - 分子機能
: / Metallo-beta-lactamase superfamily / Ribonuclease Z/Hydroxyacylglutathione hydrolase-like / Metallo-beta-lactamase; Chain A / Metallo-beta-lactamase superfamily / Metallo-beta-lactamase / Ribonuclease Z/Hydroxyacylglutathione hydrolase-like / 4-Layer Sandwich / Alpha Beta
類似検索 - ドメイン・相同性
2-(pyridin-3-yl)benzoic acid / : / 2-aminobenzoylacetyl-CoA thioesterase
類似検索 - 構成要素
生物種Pseudomonas aeruginosa PAO1 (緑膿菌)
手法X線回折 / シンクロトロン / フーリエ合成 / 解像度: 1.992 Å
データ登録者Witzgall, F. / Blankenfeldt, W.
引用ジャーナル: Acs Chem.Biol. / 年: 2016
タイトル: Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
著者: Zender, M. / Witzgall, F. / Drees, S.L. / Weidel, E. / Maurer, C.K. / Fetzner, S. / Blankenfeldt, W. / Empting, M. / Hartmann, R.W.
履歴
登録2016年1月12日登録サイト: RCSB / 処理サイト: PDBE
改定 1.02016年4月27日Provider: repository / タイプ: Initial release
改定 1.12016年6月29日Group: Database references
改定 1.22024年1月10日Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_dist_value / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id
改定 1.32024年10月23日Group: Structure summary
カテゴリ: pdbx_entry_details / pdbx_modification_feature

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構造の表示

構造ビューア分子:
MolmilJmol/JSmol

ダウンロードとリンク

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集合体

登録構造単位
A: PqsE
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)34,8564
ポリマ－34,5451
非ポリマー3113
水3,333185
1


  • 登録構造と同一
  • 登録者が定義した集合体
タイプ名称対称操作数
identity operation1_555x,y,z1
単位格子
Length a, b, c (Å)61.342, 61.342, 146.989
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number154
Space group name H-MP3221

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要素

#1: タンパク質 PqsE


分子量: 34545.492 Da / 分子数: 1 / 由来タイプ: 組換発現
由来: (組換発現) Pseudomonas aeruginosa PAO1 (緑膿菌)
遺伝子: PA1000 / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: P20581
#2: 化合物 ChemComp-FE / FE (III) ION


分子量: 55.845 Da / 分子数: 2 / 由来タイプ: 合成 / 式: Fe
#3: 化合物 ChemComp-61O / 2-(pyridin-3-yl)benzoic acid / 2-(3-ピリジル)安息香酸


分子量: 199.205 Da / 分子数: 1 / 由来タイプ: 合成 / 式: C12H9NO2
#4: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 185 / 由来タイプ: 天然 / 式: H2O
Has protein modificationY

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実験情報

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実験

実験手法: X線回折 / 使用した結晶の数: 1

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試料調製

結晶マシュー密度: 2.34 Å3/Da / 溶媒含有率: 47.5 %
結晶化温度: 298 K / 手法: 蒸気拡散法, ハンギングドロップ法 / 詳細: 100 mM HEPES, 200 mM MgCl2, 31% PEG400 / PH範囲: 7.5-8.0

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データ収集

回折平均測定温度: 100 K
放射光源由来: シンクロトロン / サイト: SLS / ビームライン: X06DA / 波長: 0.979 Å
検出器タイプ: DECTRIS PILATUS 2M-F / 検出器: PIXEL / 日付: 2014年11月28日
放射プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長波長: 0.979 Å / 相対比: 1
反射解像度: 1.99→49.961 Å / Num. obs: 22719 / % possible obs: 100 % / 冗長度: 19.3 % / Biso Wilson estimate: 34.34 Å2 / CC1/2: 1 / Rmerge(I) obs: 0.11 / Rpim(I) all: 0.026 / Net I/σ(I): 20.8 / Num. measured all: 439051 / Scaling rejects: 1
反射 シェル

Diffraction-ID: 1 / Rejects: _

解像度 (Å)冗長度 (%)Rmerge(I) obsMean I/σ(I) obsNum. measured allNum. unique allCC1/2Rpim(I) all% possible all
1.99-2.0419.61.6923275516740.6920.391100
8.91-49.9617.10.03281.3532231210.00899.5

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解析

ソフトウェア
名称バージョン分類
Aimless0.5.12データスケーリング
PHENIX精密化
PDB_EXTRACT3.15データ抽出
XDSデータ削減
Cootモデル構築
精密化構造決定の手法: フーリエ合成
開始モデル: 2Q0I

2q0i


解像度: 1.992→49.961 Å / SU ML: 0.22 / 交差検証法: FREE R-VALUE / σ(F): 1.36 / 位相誤差: 20.05 / 立体化学のターゲット値: ML
Rfactor反射数%反射
Rfree0.2056 1128 4.98 %
Rwork0.1621 21536 -
obs0.1642 22664 99.97 %
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL
原子変位パラメータBiso max: 140.57 Å2 / Biso mean: 45.7383 Å2 / Biso min: 21.47 Å2
精密化ステップサイクル: final / 解像度: 1.992→49.961 Å
タンパク質核酸リガンド溶媒全体
原子数2374 0 25 185 2584
Biso mean--33.92 46.79 -
残基数----298
拘束条件
Refine-IDタイプDev ideal数
X-RAY DIFFRACTIONf_bond_d0.0182493
X-RAY DIFFRACTIONf_angle_d1.1523379
X-RAY DIFFRACTIONf_chiral_restr0.059366
X-RAY DIFFRACTIONf_plane_restr0.008442
X-RAY DIFFRACTIONf_dihedral_angle_d9.9961482
LS精密化 シェル

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 8 / % reflection obs: 100 %

解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all
1.9921-2.08280.26491490.231926192768
2.0828-2.19260.26741410.202126462787
2.1926-2.330.23121430.178826472790
2.33-2.50990.21561270.162326492776
2.5099-2.76240.23131390.168226812820
2.7624-3.16210.21821470.168626772824
3.1621-3.98370.17351360.151127432879
3.9837-49.97660.19061460.14828743020
精密化 TLS

手法: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
13.0759-0.6093-0.64593.9155-1.24732.8416-0.02350.083-0.10190.14750.09930.2564-0.0832-0.274-0.05630.26520.02790.02580.2645-0.00430.2949-30.3902-10.7147-17.9739
22.0348-0.5710.03714.2146-0.24621.69520.0005-0.0197-0.08940.43350.04740.4963-0.0816-0.3188-0.05020.31180.04530.06030.35240.02470.2918-33.1953-8.3555-13.2695
33.8053-0.076-0.61292.4285-0.48181.8359-0.165-1.0748-0.16290.91090.08810.13280.0322-0.28620.06240.60290.03720.11230.49010.07920.2817-29.7594-11.365-2.7808
44.03390.57332.37550.3558-0.97878.1264-0.3454-0.97760.97311.19890.21240.034-0.5526-0.45420.17060.77920.1803-0.00570.564-0.18960.4649-27.73373.7138-0.4292
54.15690.34620.20951.58370.83852.836-0.1641-0.80370.32440.42630.09890.2452-0.1214-0.52020.02710.51880.07880.07260.43240.08080.3054-31.5128-7.0722-4.1643
63.16780.5204-0.15551.47750.00341.6452-0.1172-0.031-0.31030.2660.0996-0.10040.17670.08640.01260.3330.0452-0.03890.2327-0.00690.2885-17.7381-14.5804-15.5793
71.77380.684-0.04382.9195-0.06782.5663-0.0707-0.2378-0.20320.6507-0.0261-0.51980.0410.4830.12840.37210.0559-0.1260.33320.01210.3546-6.9119-7.2516-12.8682
83.1339-1.022-0.75194.14730.61051.95080.0890.5067-0.0756-0.305-0.15190.02120.0437-0.09020.08320.30550.0371-0.02790.3008-0.02190.2837-14.8928-11.5294-24.9343
93.52734.1863-0.15296.47911.48012.4046-0.06390.1379-0.22760.28920.3761-0.5792-0.38010.4516-0.33380.3610.0013-0.1250.3492-0.01220.36540.19312.4727-17.0525
108.78932.50621.6631.69941.03620.82090.06370.08411.7020.0925-0.23390.4515-0.48590.0080.11280.66230.0561-0.11890.3305-0.00620.6223-8.880912.4056-14.8906
118.78150.59672.51982.78470.6634.5408-0.1205-1.01390.4127-0.02820.0870.3466-0.3014-0.23660.04920.6281-0.0014-0.11370.3597-0.07520.4526-11.89026.8133-8.6585
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1(( chain 'A' and (resid 18 through 41 )) or ( chain 'S' and resid 6 ) or ( chain 'S' and resid 29 ) or ( chain 'S' and resid 46 ) or ( chain 'S' and resid 49 ) or ( chain 'S' and resid 51 ) or ( chain 'S' and resid 71 ) or ( chain 'S' and resid 75 ) or ( chain 'S' and resid 80 ) or ( chain 'S' and resid 87 ) or ( chain 'S' and resid 91 ) or ( chain 'S' and resid 112 ) or ( chain 'S' and resid 119 ) or ( chain 'S' and resid 131 ) or ( chain 'S' and resid 170 ))A18 - 41
2X-RAY DIFFRACTION1(( chain 'A' and (resid 18 through 41 )) or ( chain 'S' and resid 6 ) or ( chain 'S' and resid 29 ) or ( chain 'S' and resid 46 ) or ( chain 'S' and resid 49 ) or ( chain 'S' and resid 51 ) or ( chain 'S' and resid 71 ) or ( chain 'S' and resid 75 ) or ( chain 'S' and resid 80 ) or ( chain 'S' and resid 87 ) or ( chain 'S' and resid 91 ) or ( chain 'S' and resid 112 ) or ( chain 'S' and resid 119 ) or ( chain 'S' and resid 131 ) or ( chain 'S' and resid 170 ))S6
3X-RAY DIFFRACTION1(( chain 'A' and (resid 18 through 41 )) or ( chain 'S' and resid 6 ) or ( chain 'S' and resid 29 ) or ( chain 'S' and resid 46 ) or ( chain 'S' and resid 49 ) or ( chain 'S' and resid 51 ) or ( chain 'S' and resid 71 ) or ( chain 'S' and resid 75 ) or ( chain 'S' and resid 80 ) or ( chain 'S' and resid 87 ) or ( chain 'S' and resid 91 ) or ( chain 'S' and resid 112 ) or ( chain 'S' and resid 119 ) or ( chain 'S' and resid 131 ) or ( chain 'S' and resid 170 ))S29
4X-RAY DIFFRACTION1(( chain 'A' and (resid 18 through 41 )) or ( chain 'S' and resid 6 ) or ( chain 'S' and resid 29 ) or ( chain 'S' and resid 46 ) or ( chain 'S' and resid 49 ) or ( chain 'S' and resid 51 ) or ( chain 'S' and resid 71 ) or ( chain 'S' and resid 75 ) or ( chain 'S' and resid 80 ) or ( chain 'S' and resid 87 ) or ( chain 'S' and resid 91 ) or ( chain 'S' and resid 112 ) or ( chain 'S' and resid 119 ) or ( chain 'S' and resid 131 ) or ( chain 'S' and resid 170 ))S46
5X-RAY DIFFRACTION1(( chain 'A' and (resid 18 through 41 )) or ( chain 'S' and resid 6 ) or ( chain 'S' and resid 29 ) or ( chain 'S' and resid 46 ) or ( chain 'S' and resid 49 ) or ( chain 'S' and resid 51 ) or ( chain 'S' and resid 71 ) or ( chain 'S' and resid 75 ) or ( chain 'S' and resid 80 ) or ( chain 'S' and resid 87 ) or ( chain 'S' and resid 91 ) or ( chain 'S' and resid 112 ) or ( chain 'S' and resid 119 ) or ( chain 'S' and resid 131 ) or ( chain 'S' and resid 170 ))S49
6X-RAY DIFFRACTION1(( chain 'A' and (resid 18 through 41 )) or ( chain 'S' and resid 6 ) or ( chain 'S' and resid 29 ) or ( chain 'S' and resid 46 ) or ( chain 'S' and resid 49 ) or ( chain 'S' and resid 51 ) or ( chain 'S' and resid 71 ) or ( chain 'S' and resid 75 ) or ( chain 'S' and resid 80 ) or ( chain 'S' and resid 87 ) or ( chain 'S' and resid 91 ) or ( chain 'S' and resid 112 ) or ( chain 'S' and resid 119 ) or ( chain 'S' and resid 131 ) or ( chain 'S' and resid 170 ))S51
7X-RAY DIFFRACTION1(( chain 'A' and (resid 18 through 41 )) or ( chain 'S' and resid 6 ) or ( chain 'S' and resid 29 ) or ( chain 'S' and resid 46 ) or ( chain 'S' and resid 49 ) or ( chain 'S' and resid 51 ) or ( chain 'S' and resid 71 ) or ( chain 'S' and resid 75 ) or ( chain 'S' and resid 80 ) or ( chain 'S' and resid 87 ) or ( chain 'S' and resid 91 ) or ( chain 'S' and resid 112 ) or ( chain 'S' and resid 119 ) or ( chain 'S' and resid 131 ) or ( chain 'S' and resid 170 ))S71
8X-RAY DIFFRACTION1(( chain 'A' and (resid 18 through 41 )) or ( chain 'S' and resid 6 ) or ( chain 'S' and resid 29 ) or ( chain 'S' and resid 46 ) or ( chain 'S' and resid 49 ) or ( chain 'S' and resid 51 ) or ( chain 'S' and resid 71 ) or ( chain 'S' and resid 75 ) or ( chain 'S' and resid 80 ) or ( chain 'S' and resid 87 ) or ( chain 'S' and resid 91 ) or ( chain 'S' and resid 112 ) or ( chain 'S' and resid 119 ) or ( chain 'S' and resid 131 ) or ( chain 'S' and resid 170 ))S75
9X-RAY DIFFRACTION1(( chain 'A' and (resid 18 through 41 )) or ( chain 'S' and resid 6 ) or ( chain 'S' and resid 29 ) or ( chain 'S' and resid 46 ) or ( chain 'S' and resid 49 ) or ( chain 'S' and resid 51 ) or ( chain 'S' and resid 71 ) or ( chain 'S' and resid 75 ) or ( chain 'S' and resid 80 ) or ( chain 'S' and resid 87 ) or ( chain 'S' and resid 91 ) or ( chain 'S' and resid 112 ) or ( chain 'S' and resid 119 ) or ( chain 'S' and resid 131 ) or ( chain 'S' and resid 170 ))S80
10X-RAY DIFFRACTION1(( chain 'A' and (resid 18 through 41 )) or ( chain 'S' and resid 6 ) or ( chain 'S' and resid 29 ) or ( chain 'S' and resid 46 ) or ( chain 'S' and resid 49 ) or ( chain 'S' and resid 51 ) or ( chain 'S' and resid 71 ) or ( chain 'S' and resid 75 ) or ( chain 'S' and resid 80 ) or ( chain 'S' and resid 87 ) or ( chain 'S' and resid 91 ) or ( chain 'S' and resid 112 ) or ( chain 'S' and resid 119 ) or ( chain 'S' and resid 131 ) or ( chain 'S' and resid 170 ))S87
11X-RAY DIFFRACTION1(( chain 'A' and (resid 18 through 41 )) or ( chain 'S' and resid 6 ) or ( chain 'S' and resid 29 ) or ( chain 'S' and resid 46 ) or ( chain 'S' and resid 49 ) or ( chain 'S' and resid 51 ) or ( chain 'S' and resid 71 ) or ( chain 'S' and resid 75 ) or ( chain 'S' and resid 80 ) or ( chain 'S' and resid 87 ) or ( chain 'S' and resid 91 ) or ( chain 'S' and resid 112 ) or ( chain 'S' and resid 119 ) or ( chain 'S' and resid 131 ) or ( chain 'S' and resid 170 ))S91
12X-RAY DIFFRACTION1(( chain 'A' and (resid 18 through 41 )) or ( chain 'S' and resid 6 ) or ( chain 'S' and resid 29 ) or ( chain 'S' and resid 46 ) or ( chain 'S' and resid 49 ) or ( chain 'S' and resid 51 ) or ( chain 'S' and resid 71 ) or ( chain 'S' and resid 75 ) or ( chain 'S' and resid 80 ) or ( chain 'S' and resid 87 ) or ( chain 'S' and resid 91 ) or ( chain 'S' and resid 112 ) or ( chain 'S' and resid 119 ) or ( chain 'S' and resid 131 ) or ( chain 'S' and resid 170 ))S112
13X-RAY DIFFRACTION1(( chain 'A' and (resid 18 through 41 )) or ( chain 'S' and resid 6 ) or ( chain 'S' and resid 29 ) or ( chain 'S' and resid 46 ) or ( chain 'S' and resid 49 ) or ( chain 'S' and resid 51 ) or ( chain 'S' and resid 71 ) or ( chain 'S' and resid 75 ) or ( chain 'S' and resid 80 ) or ( chain 'S' and resid 87 ) or ( chain 'S' and resid 91 ) or ( chain 'S' and resid 112 ) or ( chain 'S' and resid 119 ) or ( chain 'S' and resid 131 ) or ( chain 'S' and resid 170 ))S119
14X-RAY DIFFRACTION1(( chain 'A' and (resid 18 through 41 )) or ( chain 'S' and resid 6 ) or ( chain 'S' and resid 29 ) or ( chain 'S' and resid 46 ) or ( chain 'S' and resid 49 ) or ( chain 'S' and resid 51 ) or ( chain 'S' and resid 71 ) or ( chain 'S' and resid 75 ) or ( chain 'S' and resid 80 ) or ( chain 'S' and resid 87 ) or ( chain 'S' and resid 91 ) or ( chain 'S' and resid 112 ) or ( chain 'S' and resid 119 ) or ( chain 'S' and resid 131 ) or ( chain 'S' and resid 170 ))S131
15X-RAY DIFFRACTION1(( chain 'A' and (resid 18 through 41 )) or ( chain 'S' and resid 6 ) or ( chain 'S' and resid 29 ) or ( chain 'S' and resid 46 ) or ( chain 'S' and resid 49 ) or ( chain 'S' and resid 51 ) or ( chain 'S' and resid 71 ) or ( chain 'S' and resid 75 ) or ( chain 'S' and resid 80 ) or ( chain 'S' and resid 87 ) or ( chain 'S' and resid 91 ) or ( chain 'S' and resid 112 ) or ( chain 'S' and resid 119 ) or ( chain 'S' and resid 131 ) or ( chain 'S' and resid 170 ))S170
16X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))A42 - 77
17X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))A999
18X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S3
19X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S52
20X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S53
21X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S54
22X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S64
23X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S81
24X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S88
25X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S89
26X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S92
27X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S101
28X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S125
29X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S132
30X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S133
31X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S134
32X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S136
33X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S150
34X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S151
35X-RAY DIFFRACTION2(( chain 'A' and (resid 42 through 77 )) or ( chain 'A' and resid 999 ) or ( chain 'S' and resid 3 ) or ( chain 'S' and resid 52 ) or ( chain 'S' and resid 53 ) or ( chain 'S' and resid 54 ) or ( chain 'S' and resid 64 ) or ( chain 'S' and resid 81 ) or ( chain 'S' and resid 88 ) or ( chain 'S' and resid 89 ) or ( chain 'S' and resid 92 ) or ( chain 'S' and resid 101 ) or ( chain 'S' and resid 125 ) or ( chain 'S' and resid 132 ) or ( chain 'S' and resid 133 ) or ( chain 'S' and resid 134 ) or ( chain 'S' and resid 136 ) or ( chain 'S' and resid 150 ) or ( chain 'S' and resid 151 ) or ( chain 'S' and resid 176 ))S176
36X-RAY DIFFRACTION3(( chain 'A' and (resid 78 through 102 )) or ( chain 'S' and resid 12 ) or ( chain 'S' and resid 16 ) or ( chain 'S' and resid 28 ) or ( chain 'S' and resid 35 ) or ( chain 'S' and resid 38 ) or ( chain 'S' and resid 56 ) or ( chain 'S' and resid 62 ) or ( chain 'S' and resid 74 ) or ( chain 'S' and resid 114 ) or ( chain 'S' and resid 173 ))A78 - 102
37X-RAY DIFFRACTION3(( chain 'A' and (resid 78 through 102 )) or ( chain 'S' and resid 12 ) or ( chain 'S' and resid 16 ) or ( chain 'S' and resid 28 ) or ( chain 'S' and resid 35 ) or ( chain 'S' and resid 38 ) or ( chain 'S' and resid 56 ) or ( chain 'S' and resid 62 ) or ( chain 'S' and resid 74 ) or ( chain 'S' and resid 114 ) or ( chain 'S' and resid 173 ))S12
38X-RAY DIFFRACTION3(( chain 'A' and (resid 78 through 102 )) or ( chain 'S' and resid 12 ) or ( chain 'S' and resid 16 ) or ( chain 'S' and resid 28 ) or ( chain 'S' and resid 35 ) or ( chain 'S' and resid 38 ) or ( chain 'S' and resid 56 ) or ( chain 'S' and resid 62 ) or ( chain 'S' and resid 74 ) or ( chain 'S' and resid 114 ) or ( chain 'S' and resid 173 ))S16
39X-RAY DIFFRACTION3(( chain 'A' and (resid 78 through 102 )) or ( chain 'S' and resid 12 ) or ( chain 'S' and resid 16 ) or ( chain 'S' and resid 28 ) or ( chain 'S' and resid 35 ) or ( chain 'S' and resid 38 ) or ( chain 'S' and resid 56 ) or ( chain 'S' and resid 62 ) or ( chain 'S' and resid 74 ) or ( chain 'S' and resid 114 ) or ( chain 'S' and resid 173 ))S28
40X-RAY DIFFRACTION3(( chain 'A' and (resid 78 through 102 )) or ( chain 'S' and resid 12 ) or ( chain 'S' and resid 16 ) or ( chain 'S' and resid 28 ) or ( chain 'S' and resid 35 ) or ( chain 'S' and resid 38 ) or ( chain 'S' and resid 56 ) or ( chain 'S' and resid 62 ) or ( chain 'S' and resid 74 ) or ( chain 'S' and resid 114 ) or ( chain 'S' and resid 173 ))S35
41X-RAY DIFFRACTION3(( chain 'A' and (resid 78 through 102 )) or ( chain 'S' and resid 12 ) or ( chain 'S' and resid 16 ) or ( chain 'S' and resid 28 ) or ( chain 'S' and resid 35 ) or ( chain 'S' and resid 38 ) or ( chain 'S' and resid 56 ) or ( chain 'S' and resid 62 ) or ( chain 'S' and resid 74 ) or ( chain 'S' and resid 114 ) or ( chain 'S' and resid 173 ))S38
42X-RAY DIFFRACTION3(( chain 'A' and (resid 78 through 102 )) or ( chain 'S' and resid 12 ) or ( chain 'S' and resid 16 ) or ( chain 'S' and resid 28 ) or ( chain 'S' and resid 35 ) or ( chain 'S' and resid 38 ) or ( chain 'S' and resid 56 ) or ( chain 'S' and resid 62 ) or ( chain 'S' and resid 74 ) or ( chain 'S' and resid 114 ) or ( chain 'S' and resid 173 ))S56
43X-RAY DIFFRACTION3(( chain 'A' and (resid 78 through 102 )) or ( chain 'S' and resid 12 ) or ( chain 'S' and resid 16 ) or ( chain 'S' and resid 28 ) or ( chain 'S' and resid 35 ) or ( chain 'S' and resid 38 ) or ( chain 'S' and resid 56 ) or ( chain 'S' and resid 62 ) or ( chain 'S' and resid 74 ) or ( chain 'S' and resid 114 ) or ( chain 'S' and resid 173 ))S62
44X-RAY DIFFRACTION3(( chain 'A' and (resid 78 through 102 )) or ( chain 'S' and resid 12 ) or ( chain 'S' and resid 16 ) or ( chain 'S' and resid 28 ) or ( chain 'S' and resid 35 ) or ( chain 'S' and resid 38 ) or ( chain 'S' and resid 56 ) or ( chain 'S' and resid 62 ) or ( chain 'S' and resid 74 ) or ( chain 'S' and resid 114 ) or ( chain 'S' and resid 173 ))S74
45X-RAY DIFFRACTION3(( chain 'A' and (resid 78 through 102 )) or ( chain 'S' and resid 12 ) or ( chain 'S' and resid 16 ) or ( chain 'S' and resid 28 ) or ( chain 'S' and resid 35 ) or ( chain 'S' and resid 38 ) or ( chain 'S' and resid 56 ) or ( chain 'S' and resid 62 ) or ( chain 'S' and resid 74 ) or ( chain 'S' and resid 114 ) or ( chain 'S' and resid 173 ))S114
46X-RAY DIFFRACTION3(( chain 'A' and (resid 78 through 102 )) or ( chain 'S' and resid 12 ) or ( chain 'S' and resid 16 ) or ( chain 'S' and resid 28 ) or ( chain 'S' and resid 35 ) or ( chain 'S' and resid 38 ) or ( chain 'S' and resid 56 ) or ( chain 'S' and resid 62 ) or ( chain 'S' and resid 74 ) or ( chain 'S' and resid 114 ) or ( chain 'S' and resid 173 ))S173
47X-RAY DIFFRACTION4(( chain 'A' and (resid 103 through 116 )) or ( chain 'S' and resid 10 ) or ( chain 'S' and resid 138 ) or ( chain 'S' and resid 154 ) or ( chain 'S' and resid 155 ) or ( chain 'S' and resid 156 ))A103 - 116
48X-RAY DIFFRACTION4(( chain 'A' and (resid 103 through 116 )) or ( chain 'S' and resid 10 ) or ( chain 'S' and resid 138 ) or ( chain 'S' and resid 154 ) or ( chain 'S' and resid 155 ) or ( chain 'S' and resid 156 ))S10
49X-RAY DIFFRACTION4(( chain 'A' and (resid 103 through 116 )) or ( chain 'S' and resid 10 ) or ( chain 'S' and resid 138 ) or ( chain 'S' and resid 154 ) or ( chain 'S' and resid 155 ) or ( chain 'S' and resid 156 ))S138
50X-RAY DIFFRACTION4(( chain 'A' and (resid 103 through 116 )) or ( chain 'S' and resid 10 ) or ( chain 'S' and resid 138 ) or ( chain 'S' and resid 154 ) or ( chain 'S' and resid 155 ) or ( chain 'S' and resid 156 ))S154
51X-RAY DIFFRACTION4(( chain 'A' and (resid 103 through 116 )) or ( chain 'S' and resid 10 ) or ( chain 'S' and resid 138 ) or ( chain 'S' and resid 154 ) or ( chain 'S' and resid 155 ) or ( chain 'S' and resid 156 ))S155
52X-RAY DIFFRACTION4(( chain 'A' and (resid 103 through 116 )) or ( chain 'S' and resid 10 ) or ( chain 'S' and resid 138 ) or ( chain 'S' and resid 154 ) or ( chain 'S' and resid 155 ) or ( chain 'S' and resid 156 ))S156
53X-RAY DIFFRACTION5(( chain 'A' and (resid 117 through 141 )) or ( chain 'S' and resid 66 ) or ( chain 'S' and resid 82 ) or ( chain 'S' and resid 111 ) or ( chain 'S' and resid 113 ) or ( chain 'S' and resid 137 ) or ( chain 'S' and resid 152 ) or ( chain 'S' and resid 153 ) or ( chain 'S' and resid 157 ) or ( chain 'S' and resid 158 ) or ( chain 'S' and resid 159 ) or ( chain 'S' and resid 160 ) or ( chain 'S' and resid 161 ) or ( chain 'S' and resid 162 ) or ( chain 'S' and resid 174 ))A117 - 141
54X-RAY DIFFRACTION5(( chain 'A' and (resid 117 through 141 )) or ( chain 'S' and resid 66 ) or ( chain 'S' and resid 82 ) or ( chain 'S' and resid 111 ) or ( chain 'S' and resid 113 ) or ( chain 'S' and resid 137 ) or ( chain 'S' and resid 152 ) or ( chain 'S' and resid 153 ) or ( chain 'S' and resid 157 ) or ( chain 'S' and resid 158 ) or ( chain 'S' and resid 159 ) or ( chain 'S' and resid 160 ) or ( chain 'S' and resid 161 ) or ( chain 'S' and resid 162 ) or ( chain 'S' and resid 174 ))S66
55X-RAY DIFFRACTION5(( chain 'A' and (resid 117 through 141 )) or ( chain 'S' and resid 66 ) or ( chain 'S' and resid 82 ) or ( chain 'S' and resid 111 ) or ( chain 'S' and resid 113 ) or ( chain 'S' and resid 137 ) or ( chain 'S' and resid 152 ) or ( chain 'S' and resid 153 ) or ( chain 'S' and resid 157 ) or ( chain 'S' and resid 158 ) or ( chain 'S' and resid 159 ) or ( chain 'S' and resid 160 ) or ( chain 'S' and resid 161 ) or ( chain 'S' and resid 162 ) or ( chain 'S' and resid 174 ))S82
56X-RAY DIFFRACTION5(( chain 'A' and (resid 117 through 141 )) or ( chain 'S' and resid 66 ) or ( chain 'S' and resid 82 ) or ( chain 'S' and resid 111 ) or ( chain 'S' and resid 113 ) or ( chain 'S' and resid 137 ) or ( chain 'S' and resid 152 ) or ( chain 'S' and resid 153 ) or ( chain 'S' and resid 157 ) or ( chain 'S' and resid 158 ) or ( chain 'S' and resid 159 ) or ( chain 'S' and resid 160 ) or ( chain 'S' and resid 161 ) or ( chain 'S' and resid 162 ) or ( chain 'S' and resid 174 ))S111
57X-RAY DIFFRACTION5(( chain 'A' and (resid 117 through 141 )) or ( chain 'S' and resid 66 ) or ( chain 'S' and resid 82 ) or ( chain 'S' and resid 111 ) or ( chain 'S' and resid 113 ) or ( chain 'S' and resid 137 ) or ( chain 'S' and resid 152 ) or ( chain 'S' and resid 153 ) or ( chain 'S' and resid 157 ) or ( chain 'S' and resid 158 ) or ( chain 'S' and resid 159 ) or ( chain 'S' and resid 160 ) or ( chain 'S' and resid 161 ) or ( chain 'S' and resid 162 ) or ( chain 'S' and resid 174 ))S113
58X-RAY DIFFRACTION5(( chain 'A' and (resid 117 through 141 )) or ( chain 'S' and resid 66 ) or ( chain 'S' and resid 82 ) or ( chain 'S' and resid 111 ) or ( chain 'S' and resid 113 ) or ( chain 'S' and resid 137 ) or ( chain 'S' and resid 152 ) or ( chain 'S' and resid 153 ) or ( chain 'S' and resid 157 ) or ( chain 'S' and resid 158 ) or ( chain 'S' and resid 159 ) or ( chain 'S' and resid 160 ) or ( chain 'S' and resid 161 ) or ( chain 'S' and resid 162 ) or ( chain 'S' and resid 174 ))S137
59X-RAY DIFFRACTION5(( chain 'A' and (resid 117 through 141 )) or ( chain 'S' and resid 66 ) or ( chain 'S' and resid 82 ) or ( chain 'S' and resid 111 ) or ( chain 'S' and resid 113 ) or ( chain 'S' and resid 137 ) or ( chain 'S' and resid 152 ) or ( chain 'S' and resid 153 ) or ( chain 'S' and resid 157 ) or ( chain 'S' and resid 158 ) or ( chain 'S' and resid 159 ) or ( chain 'S' and resid 160 ) or ( chain 'S' and resid 161 ) or ( chain 'S' and resid 162 ) or ( chain 'S' and resid 174 ))S152
60X-RAY DIFFRACTION5(( chain 'A' and (resid 117 through 141 )) or ( chain 'S' and resid 66 ) or ( chain 'S' and resid 82 ) or ( chain 'S' and resid 111 ) or ( chain 'S' and resid 113 ) or ( chain 'S' and resid 137 ) or ( chain 'S' and resid 152 ) or ( chain 'S' and resid 153 ) or ( chain 'S' and resid 157 ) or ( chain 'S' and resid 158 ) or ( chain 'S' and resid 159 ) or ( chain 'S' and resid 160 ) or ( chain 'S' and resid 161 ) or ( chain 'S' and resid 162 ) or ( chain 'S' and resid 174 ))S153
61X-RAY DIFFRACTION5(( chain 'A' and (resid 117 through 141 )) or ( chain 'S' and resid 66 ) or ( chain 'S' and resid 82 ) or ( chain 'S' and resid 111 ) or ( chain 'S' and resid 113 ) or ( chain 'S' and resid 137 ) or ( chain 'S' and resid 152 ) or ( chain 'S' and resid 153 ) or ( chain 'S' and resid 157 ) or ( chain 'S' and resid 158 ) or ( chain 'S' and resid 159 ) or ( chain 'S' and resid 160 ) or ( chain 'S' and resid 161 ) or ( chain 'S' and resid 162 ) or ( chain 'S' and resid 174 ))S157
62X-RAY DIFFRACTION5(( chain 'A' and (resid 117 through 141 )) or ( chain 'S' and resid 66 ) or ( chain 'S' and resid 82 ) or ( chain 'S' and resid 111 ) or ( chain 'S' and resid 113 ) or ( chain 'S' and resid 137 ) or ( chain 'S' and resid 152 ) or ( chain 'S' and resid 153 ) or ( chain 'S' and resid 157 ) or ( chain 'S' and resid 158 ) or ( chain 'S' and resid 159 ) or ( chain 'S' and resid 160 ) or ( chain 'S' and resid 161 ) or ( chain 'S' and resid 162 ) or ( chain 'S' and resid 174 ))S158
63X-RAY DIFFRACTION5(( chain 'A' and (resid 117 through 141 )) or ( chain 'S' and resid 66 ) or ( chain 'S' and resid 82 ) or ( chain 'S' and resid 111 ) or ( chain 'S' and resid 113 ) or ( chain 'S' and resid 137 ) or ( chain 'S' and resid 152 ) or ( chain 'S' and resid 153 ) or ( chain 'S' and resid 157 ) or ( chain 'S' and resid 158 ) or ( chain 'S' and resid 159 ) or ( chain 'S' and resid 160 ) or ( chain 'S' and resid 161 ) or ( chain 'S' and resid 162 ) or ( chain 'S' and resid 174 ))S159
64X-RAY DIFFRACTION5(( chain 'A' and (resid 117 through 141 )) or ( chain 'S' and resid 66 ) or ( chain 'S' and resid 82 ) or ( chain 'S' and resid 111 ) or ( chain 'S' and resid 113 ) or ( chain 'S' and resid 137 ) or ( chain 'S' and resid 152 ) or ( chain 'S' and resid 153 ) or ( chain 'S' and resid 157 ) or ( chain 'S' and resid 158 ) or ( chain 'S' and resid 159 ) or ( chain 'S' and resid 160 ) or ( chain 'S' and resid 161 ) or ( chain 'S' and resid 162 ) or ( chain 'S' and resid 174 ))S160
65X-RAY DIFFRACTION5(( chain 'A' and (resid 117 through 141 )) or ( chain 'S' and resid 66 ) or ( chain 'S' and resid 82 ) or ( chain 'S' and resid 111 ) or ( chain 'S' and resid 113 ) or ( chain 'S' and resid 137 ) or ( chain 'S' and resid 152 ) or ( chain 'S' and resid 153 ) or ( chain 'S' and resid 157 ) or ( chain 'S' and resid 158 ) or ( chain 'S' and resid 159 ) or ( chain 'S' and resid 160 ) or ( chain 'S' and resid 161 ) or ( chain 'S' and resid 162 ) or ( chain 'S' and resid 174 ))S161
66X-RAY DIFFRACTION5(( chain 'A' and (resid 117 through 141 )) or ( chain 'S' and resid 66 ) or ( chain 'S' and resid 82 ) or ( chain 'S' and resid 111 ) or ( chain 'S' and resid 113 ) or ( chain 'S' and resid 137 ) or ( chain 'S' and resid 152 ) or ( chain 'S' and resid 153 ) or ( chain 'S' and resid 157 ) or ( chain 'S' and resid 158 ) or ( chain 'S' and resid 159 ) or ( chain 'S' and resid 160 ) or ( chain 'S' and resid 161 ) or ( chain 'S' and resid 162 ) or ( chain 'S' and resid 174 ))S162
67X-RAY DIFFRACTION5(( chain 'A' and (resid 117 through 141 )) or ( chain 'S' and resid 66 ) or ( chain 'S' and resid 82 ) or ( chain 'S' and resid 111 ) or ( chain 'S' and resid 113 ) or ( chain 'S' and resid 137 ) or ( chain 'S' and resid 152 ) or ( chain 'S' and resid 153 ) or ( chain 'S' and resid 157 ) or ( chain 'S' and resid 158 ) or ( chain 'S' and resid 159 ) or ( chain 'S' and resid 160 ) or ( chain 'S' and resid 161 ) or ( chain 'S' and resid 162 ) or ( chain 'S' and resid 174 ))S174
68X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))A142 - 187
69X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))A998
70X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S4
71X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S8
72X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S9
73X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S13
74X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S15
75X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S18
76X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S20
77X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S24
78X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S27
79X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S44
80X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S45
81X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S65
82X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S72
83X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S76
84X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S83
85X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S97
86X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S103
87X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S104
88X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S110
89X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S116
90X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S121
91X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S123
92X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S130
93X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S140
94X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S163
95X-RAY DIFFRACTION6(( chain 'A' and (resid 142 through 187 )) or ( chain 'A' and resid 998 ) or ( chain 'S' and resid 4 ) or ( chain 'S' and resid 8 ) or ( chain 'S' and resid 9 ) or ( chain 'S' and resid 13 ) or ( chain 'S' and resid 15 ) or ( chain 'S' and resid 18 ) or ( chain 'S' and resid 20 ) or ( chain 'S' and resid 24 ) or ( chain 'S' and resid 27 ) or ( chain 'S' and resid 44 ) or ( chain 'S' and resid 45 ) or ( chain 'S' and resid 65 ) or ( chain 'S' and resid 72 ) or ( chain 'S' and resid 76 ) or ( chain 'S' and resid 83 ) or ( chain 'S' and resid 97 ) or ( chain 'S' and resid 103 ) or ( chain 'S' and resid 104 ) or ( chain 'S' and resid 110 ) or ( chain 'S' and resid 116 ) or ( chain 'S' and resid 121 ) or ( chain 'S' and resid 123 ) or ( chain 'S' and resid 130 ) or ( chain 'S' and resid 140 ) or ( chain 'S' and resid 163 ) or ( chain 'S' and resid 181 ))S181
96X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))A188 - 210
97X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S5
98X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S11
99X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S21
100X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S39
101X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S41
102X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S42
103X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S43
104X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S55
105X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S69
106X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S94
107X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S108
108X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S109
109X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S115
110X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S126
111X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S143
112X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S164
113X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S165
114X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S171
115X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S175
116X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S178
117X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S179
118X-RAY DIFFRACTION7(( chain 'A' and (resid 188 through 210 )) or ( chain 'S' and resid 5 ) or ( chain 'S' and resid 11 ) or ( chain 'S' and resid 21 ) or ( chain 'S' and resid 39 ) or ( chain 'S' and resid 41 ) or ( chain 'S' and resid 42 ) or ( chain 'S' and resid 43 ) or ( chain 'S' and resid 55 ) or ( chain 'S' and resid 69 ) or ( chain 'S' and resid 94 ) or ( chain 'S' and resid 108 ) or ( chain 'S' and resid 109 ) or ( chain 'S' and resid 115 ) or ( chain 'S' and resid 126 ) or ( chain 'S' and resid 143 ) or ( chain 'S' and resid 164 ) or ( chain 'S' and resid 165 ) or ( chain 'S' and resid 171 ) or ( chain 'S' and resid 175 ) or ( chain 'S' and resid 178 ) or ( chain 'S' and resid 179 ) or ( chain 'S' and resid 180 ))S180
119X-RAY DIFFRACTION8(( chain 'A' and (resid 211 through 232 )) or ( chain 'S' and resid 2 ) or ( chain 'S' and resid 7 ) or ( chain 'S' and resid 17 ) or ( chain 'S' and resid 22 ) or ( chain 'S' and resid 26 ) or ( chain 'S' and resid 31 ) or ( chain 'S' and resid 34 ) or ( chain 'S' and resid 36 ) or ( chain 'S' and resid 37 ) or ( chain 'S' and resid 47 ) or ( chain 'S' and resid 48 ) or ( chain 'S' and resid 68 ) or ( chain 'S' and resid 84 ) or ( chain 'S' and resid 166 ) or ( chain 'S' and resid 168 ))A211 - 232
120X-RAY DIFFRACTION8(( chain 'A' and (resid 211 through 232 )) or ( chain 'S' and resid 2 ) or ( chain 'S' and resid 7 ) or ( chain 'S' and resid 17 ) or ( chain 'S' and resid 22 ) or ( chain 'S' and resid 26 ) or ( chain 'S' and resid 31 ) or ( chain 'S' and resid 34 ) or ( chain 'S' and resid 36 ) or ( chain 'S' and resid 37 ) or ( chain 'S' and resid 47 ) or ( chain 'S' and resid 48 ) or ( chain 'S' and resid 68 ) or ( chain 'S' and resid 84 ) or ( chain 'S' and resid 166 ) or ( chain 'S' and resid 168 ))S2
121X-RAY DIFFRACTION8(( chain 'A' and (resid 211 through 232 )) or ( chain 'S' and resid 2 ) or ( chain 'S' and resid 7 ) or ( chain 'S' and resid 17 ) or ( chain 'S' and resid 22 ) or ( chain 'S' and resid 26 ) or ( chain 'S' and resid 31 ) or ( chain 'S' and resid 34 ) or ( chain 'S' and resid 36 ) or ( chain 'S' and resid 37 ) or ( chain 'S' and resid 47 ) or ( chain 'S' and resid 48 ) or ( chain 'S' and resid 68 ) or ( chain 'S' and resid 84 ) or ( chain 'S' and resid 166 ) or ( chain 'S' and resid 168 ))S7
122X-RAY DIFFRACTION8(( chain 'A' and (resid 211 through 232 )) or ( chain 'S' and resid 2 ) or ( chain 'S' and resid 7 ) or ( chain 'S' and resid 17 ) or ( chain 'S' and resid 22 ) or ( chain 'S' and resid 26 ) or ( chain 'S' and resid 31 ) or ( chain 'S' and resid 34 ) or ( chain 'S' and resid 36 ) or ( chain 'S' and resid 37 ) or ( chain 'S' and resid 47 ) or ( chain 'S' and resid 48 ) or ( chain 'S' and resid 68 ) or ( chain 'S' and resid 84 ) or ( chain 'S' and resid 166 ) or ( chain 'S' and resid 168 ))S17
123X-RAY DIFFRACTION8(( chain 'A' and (resid 211 through 232 )) or ( chain 'S' and resid 2 ) or ( chain 'S' and resid 7 ) or ( chain 'S' and resid 17 ) or ( chain 'S' and resid 22 ) or ( chain 'S' and resid 26 ) or ( chain 'S' and resid 31 ) or ( chain 'S' and resid 34 ) or ( chain 'S' and resid 36 ) or ( chain 'S' and resid 37 ) or ( chain 'S' and resid 47 ) or ( chain 'S' and resid 48 ) or ( chain 'S' and resid 68 ) or ( chain 'S' and resid 84 ) or ( chain 'S' and resid 166 ) or ( chain 'S' and resid 168 ))S22
124X-RAY DIFFRACTION8(( chain 'A' and (resid 211 through 232 )) or ( chain 'S' and resid 2 ) or ( chain 'S' and resid 7 ) or ( chain 'S' and resid 17 ) or ( chain 'S' and resid 22 ) or ( chain 'S' and resid 26 ) or ( chain 'S' and resid 31 ) or ( chain 'S' and resid 34 ) or ( chain 'S' and resid 36 ) or ( chain 'S' and resid 37 ) or ( chain 'S' and resid 47 ) or ( chain 'S' and resid 48 ) or ( chain 'S' and resid 68 ) or ( chain 'S' and resid 84 ) or ( chain 'S' and resid 166 ) or ( chain 'S' and resid 168 ))S26
125X-RAY DIFFRACTION8(( chain 'A' and (resid 211 through 232 )) or ( chain 'S' and resid 2 ) or ( chain 'S' and resid 7 ) or ( chain 'S' and resid 17 ) or ( chain 'S' and resid 22 ) or ( chain 'S' and resid 26 ) or ( chain 'S' and resid 31 ) or ( chain 'S' and resid 34 ) or ( chain 'S' and resid 36 ) or ( chain 'S' and resid 37 ) or ( chain 'S' and resid 47 ) or ( chain 'S' and resid 48 ) or ( chain 'S' and resid 68 ) or ( chain 'S' and resid 84 ) or ( chain 'S' and resid 166 ) or ( chain 'S' and resid 168 ))S31
126X-RAY DIFFRACTION8(( chain 'A' and (resid 211 through 232 )) or ( chain 'S' and resid 2 ) or ( chain 'S' and resid 7 ) or ( chain 'S' and resid 17 ) or ( chain 'S' and resid 22 ) or ( chain 'S' and resid 26 ) or ( chain 'S' and resid 31 ) or ( chain 'S' and resid 34 ) or ( chain 'S' and resid 36 ) or ( chain 'S' and resid 37 ) or ( chain 'S' and resid 47 ) or ( chain 'S' and resid 48 ) or ( chain 'S' and resid 68 ) or ( chain 'S' and resid 84 ) or ( chain 'S' and resid 166 ) or ( chain 'S' and resid 168 ))S34
127X-RAY DIFFRACTION8(( chain 'A' and (resid 211 through 232 )) or ( chain 'S' and resid 2 ) or ( chain 'S' and resid 7 ) or ( chain 'S' and resid 17 ) or ( chain 'S' and resid 22 ) or ( chain 'S' and resid 26 ) or ( chain 'S' and resid 31 ) or ( chain 'S' and resid 34 ) or ( chain 'S' and resid 36 ) or ( chain 'S' and resid 37 ) or ( chain 'S' and resid 47 ) or ( chain 'S' and resid 48 ) or ( chain 'S' and resid 68 ) or ( chain 'S' and resid 84 ) or ( chain 'S' and resid 166 ) or ( chain 'S' and resid 168 ))S36
128X-RAY DIFFRACTION8(( chain 'A' and (resid 211 through 232 )) or ( chain 'S' and resid 2 ) or ( chain 'S' and resid 7 ) or ( chain 'S' and resid 17 ) or ( chain 'S' and resid 22 ) or ( chain 'S' and resid 26 ) or ( chain 'S' and resid 31 ) or ( chain 'S' and resid 34 ) or ( chain 'S' and resid 36 ) or ( chain 'S' and resid 37 ) or ( chain 'S' and resid 47 ) or ( chain 'S' and resid 48 ) or ( chain 'S' and resid 68 ) or ( chain 'S' and resid 84 ) or ( chain 'S' and resid 166 ) or ( chain 'S' and resid 168 ))S37
129X-RAY DIFFRACTION8(( chain 'A' and (resid 211 through 232 )) or ( chain 'S' and resid 2 ) or ( chain 'S' and resid 7 ) or ( chain 'S' and resid 17 ) or ( chain 'S' and resid 22 ) or ( chain 'S' and resid 26 ) or ( chain 'S' and resid 31 ) or ( chain 'S' and resid 34 ) or ( chain 'S' and resid 36 ) or ( chain 'S' and resid 37 ) or ( chain 'S' and resid 47 ) or ( chain 'S' and resid 48 ) or ( chain 'S' and resid 68 ) or ( chain 'S' and resid 84 ) or ( chain 'S' and resid 166 ) or ( chain 'S' and resid 168 ))S47
130X-RAY DIFFRACTION8(( chain 'A' and (resid 211 through 232 )) or ( chain 'S' and resid 2 ) or ( chain 'S' and resid 7 ) or ( chain 'S' and resid 17 ) or ( chain 'S' and resid 22 ) or ( chain 'S' and resid 26 ) or ( chain 'S' and resid 31 ) or ( chain 'S' and resid 34 ) or ( chain 'S' and resid 36 ) or ( chain 'S' and resid 37 ) or ( chain 'S' and resid 47 ) or ( chain 'S' and resid 48 ) or ( chain 'S' and resid 68 ) or ( chain 'S' and resid 84 ) or ( chain 'S' and resid 166 ) or ( chain 'S' and resid 168 ))S48
131X-RAY DIFFRACTION8(( chain 'A' and (resid 211 through 232 )) or ( chain 'S' and resid 2 ) or ( chain 'S' and resid 7 ) or ( chain 'S' and resid 17 ) or ( chain 'S' and resid 22 ) or ( chain 'S' and resid 26 ) or ( chain 'S' and resid 31 ) or ( chain 'S' and resid 34 ) or ( chain 'S' and resid 36 ) or ( chain 'S' and resid 37 ) or ( chain 'S' and resid 47 ) or ( chain 'S' and resid 48 ) or ( chain 'S' and resid 68 ) or ( chain 'S' and resid 84 ) or ( chain 'S' and resid 166 ) or ( chain 'S' and resid 168 ))S68
132X-RAY DIFFRACTION8(( chain 'A' and (resid 211 through 232 )) or ( chain 'S' and resid 2 ) or ( chain 'S' and resid 7 ) or ( chain 'S' and resid 17 ) or ( chain 'S' and resid 22 ) or ( chain 'S' and resid 26 ) or ( chain 'S' and resid 31 ) or ( chain 'S' and resid 34 ) or ( chain 'S' and resid 36 ) or ( chain 'S' and resid 37 ) or ( chain 'S' and resid 47 ) or ( chain 'S' and resid 48 ) or ( chain 'S' and resid 68 ) or ( chain 'S' and resid 84 ) or ( chain 'S' and resid 166 ) or ( chain 'S' and resid 168 ))S84
133X-RAY DIFFRACTION8(( chain 'A' and (resid 211 through 232 )) or ( chain 'S' and resid 2 ) or ( chain 'S' and resid 7 ) or ( chain 'S' and resid 17 ) or ( chain 'S' and resid 22 ) or ( chain 'S' and resid 26 ) or ( chain 'S' and resid 31 ) or ( chain 'S' and resid 34 ) or ( chain 'S' and resid 36 ) or ( chain 'S' and resid 37 ) or ( chain 'S' and resid 47 ) or ( chain 'S' and resid 48 ) or ( chain 'S' and resid 68 ) or ( chain 'S' and resid 84 ) or ( chain 'S' and resid 166 ) or ( chain 'S' and resid 168 ))S166
134X-RAY DIFFRACTION8(( chain 'A' and (resid 211 through 232 )) or ( chain 'S' and resid 2 ) or ( chain 'S' and resid 7 ) or ( chain 'S' and resid 17 ) or ( chain 'S' and resid 22 ) or ( chain 'S' and resid 26 ) or ( chain 'S' and resid 31 ) or ( chain 'S' and resid 34 ) or ( chain 'S' and resid 36 ) or ( chain 'S' and resid 37 ) or ( chain 'S' and resid 47 ) or ( chain 'S' and resid 48 ) or ( chain 'S' and resid 68 ) or ( chain 'S' and resid 84 ) or ( chain 'S' and resid 166 ) or ( chain 'S' and resid 168 ))S168
135X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))A233 - 254
136X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S1
137X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S14
138X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S23
139X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S25
140X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S30
141X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S33
142X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S50
143X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S58
144X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S61
145X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S77
146X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S78
147X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S93
148X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S96
149X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S106
150X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S118
151X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S122
152X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S124
153X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S127
154X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S144
155X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S145
156X-RAY DIFFRACTION9(( chain 'A' and (resid 233 through 254 )) or ( chain 'S' and resid 1 ) or ( chain 'S' and resid 14 ) or ( chain 'S' and resid 23 ) or ( chain 'S' and resid 25 ) or ( chain 'S' and resid 30 ) or ( chain 'S' and resid 33 ) or ( chain 'S' and resid 50 ) or ( chain 'S' and resid 58 ) or ( chain 'S' and resid 61 ) or ( chain 'S' and resid 77 ) or ( chain 'S' and resid 78 ) or ( chain 'S' and resid 93 ) or ( chain 'S' and resid 96 ) or ( chain 'S' and resid 106 ) or ( chain 'S' and resid 118 ) or ( chain 'S' and resid 122 ) or ( chain 'S' and resid 124 ) or ( chain 'S' and resid 127 ) or ( chain 'S' and resid 144 ) or ( chain 'S' and resid 145 ) or ( chain 'S' and resid 167 ))S167
157X-RAY DIFFRACTION10(( chain 'A' and (resid 255 through 273 )) or ( chain 'S' and resid 19 ) or ( chain 'S' and resid 60 ) or ( chain 'S' and resid 85 ) or ( chain 'S' and resid 90 ) or ( chain 'S' and resid 98 ) or ( chain 'S' and resid 117 ) or ( chain 'S' and resid 139 ) or ( chain 'S' and resid 141 ) or ( chain 'S' and resid 142 ) or ( chain 'S' and resid 169 ) or ( chain 'S' and resid 177 ))A255 - 273
158X-RAY DIFFRACTION10(( chain 'A' and (resid 255 through 273 )) or ( chain 'S' and resid 19 ) or ( chain 'S' and resid 60 ) or ( chain 'S' and resid 85 ) or ( chain 'S' and resid 90 ) or ( chain 'S' and resid 98 ) or ( chain 'S' and resid 117 ) or ( chain 'S' and resid 139 ) or ( chain 'S' and resid 141 ) or ( chain 'S' and resid 142 ) or ( chain 'S' and resid 169 ) or ( chain 'S' and resid 177 ))S19
159X-RAY DIFFRACTION10(( chain 'A' and (resid 255 through 273 )) or ( chain 'S' and resid 19 ) or ( chain 'S' and resid 60 ) or ( chain 'S' and resid 85 ) or ( chain 'S' and resid 90 ) or ( chain 'S' and resid 98 ) or ( chain 'S' and resid 117 ) or ( chain 'S' and resid 139 ) or ( chain 'S' and resid 141 ) or ( chain 'S' and resid 142 ) or ( chain 'S' and resid 169 ) or ( chain 'S' and resid 177 ))S60
160X-RAY DIFFRACTION10(( chain 'A' and (resid 255 through 273 )) or ( chain 'S' and resid 19 ) or ( chain 'S' and resid 60 ) or ( chain 'S' and resid 85 ) or ( chain 'S' and resid 90 ) or ( chain 'S' and resid 98 ) or ( chain 'S' and resid 117 ) or ( chain 'S' and resid 139 ) or ( chain 'S' and resid 141 ) or ( chain 'S' and resid 142 ) or ( chain 'S' and resid 169 ) or ( chain 'S' and resid 177 ))S85
161X-RAY DIFFRACTION10(( chain 'A' and (resid 255 through 273 )) or ( chain 'S' and resid 19 ) or ( chain 'S' and resid 60 ) or ( chain 'S' and resid 85 ) or ( chain 'S' and resid 90 ) or ( chain 'S' and resid 98 ) or ( chain 'S' and resid 117 ) or ( chain 'S' and resid 139 ) or ( chain 'S' and resid 141 ) or ( chain 'S' and resid 142 ) or ( chain 'S' and resid 169 ) or ( chain 'S' and resid 177 ))S90
162X-RAY DIFFRACTION10(( chain 'A' and (resid 255 through 273 )) or ( chain 'S' and resid 19 ) or ( chain 'S' and resid 60 ) or ( chain 'S' and resid 85 ) or ( chain 'S' and resid 90 ) or ( chain 'S' and resid 98 ) or ( chain 'S' and resid 117 ) or ( chain 'S' and resid 139 ) or ( chain 'S' and resid 141 ) or ( chain 'S' and resid 142 ) or ( chain 'S' and resid 169 ) or ( chain 'S' and resid 177 ))S98
163X-RAY DIFFRACTION10(( chain 'A' and (resid 255 through 273 )) or ( chain 'S' and resid 19 ) or ( chain 'S' and resid 60 ) or ( chain 'S' and resid 85 ) or ( chain 'S' and resid 90 ) or ( chain 'S' and resid 98 ) or ( chain 'S' and resid 117 ) or ( chain 'S' and resid 139 ) or ( chain 'S' and resid 141 ) or ( chain 'S' and resid 142 ) or ( chain 'S' and resid 169 ) or ( chain 'S' and resid 177 ))S117
164X-RAY DIFFRACTION10(( chain 'A' and (resid 255 through 273 )) or ( chain 'S' and resid 19 ) or ( chain 'S' and resid 60 ) or ( chain 'S' and resid 85 ) or ( chain 'S' and resid 90 ) or ( chain 'S' and resid 98 ) or ( chain 'S' and resid 117 ) or ( chain 'S' and resid 139 ) or ( chain 'S' and resid 141 ) or ( chain 'S' and resid 142 ) or ( chain 'S' and resid 169 ) or ( chain 'S' and resid 177 ))S139
165X-RAY DIFFRACTION10(( chain 'A' and (resid 255 through 273 )) or ( chain 'S' and resid 19 ) or ( chain 'S' and resid 60 ) or ( chain 'S' and resid 85 ) or ( chain 'S' and resid 90 ) or ( chain 'S' and resid 98 ) or ( chain 'S' and resid 117 ) or ( chain 'S' and resid 139 ) or ( chain 'S' and resid 141 ) or ( chain 'S' and resid 142 ) or ( chain 'S' and resid 169 ) or ( chain 'S' and resid 177 ))S141
166X-RAY DIFFRACTION10(( chain 'A' and (resid 255 through 273 )) or ( chain 'S' and resid 19 ) or ( chain 'S' and resid 60 ) or ( chain 'S' and resid 85 ) or ( chain 'S' and resid 90 ) or ( chain 'S' and resid 98 ) or ( chain 'S' and resid 117 ) or ( chain 'S' and resid 139 ) or ( chain 'S' and resid 141 ) or ( chain 'S' and resid 142 ) or ( chain 'S' and resid 169 ) or ( chain 'S' and resid 177 ))S142
167X-RAY DIFFRACTION10(( chain 'A' and (resid 255 through 273 )) or ( chain 'S' and resid 19 ) or ( chain 'S' and resid 60 ) or ( chain 'S' and resid 85 ) or ( chain 'S' and resid 90 ) or ( chain 'S' and resid 98 ) or ( chain 'S' and resid 117 ) or ( chain 'S' and resid 139 ) or ( chain 'S' and resid 141 ) or ( chain 'S' and resid 142 ) or ( chain 'S' and resid 169 ) or ( chain 'S' and resid 177 ))S169
168X-RAY DIFFRACTION10(( chain 'A' and (resid 255 through 273 )) or ( chain 'S' and resid 19 ) or ( chain 'S' and resid 60 ) or ( chain 'S' and resid 85 ) or ( chain 'S' and resid 90 ) or ( chain 'S' and resid 98 ) or ( chain 'S' and resid 117 ) or ( chain 'S' and resid 139 ) or ( chain 'S' and resid 141 ) or ( chain 'S' and resid 142 ) or ( chain 'S' and resid 169 ) or ( chain 'S' and resid 177 ))S177
169X-RAY DIFFRACTION11(( chain 'A' and (resid 274 through 297 )) or ( chain 'S' and resid 79 ) or ( chain 'S' and resid 146 ) or ( chain 'S' and resid 147 ))A274 - 297
170X-RAY DIFFRACTION11(( chain 'A' and (resid 274 through 297 )) or ( chain 'S' and resid 79 ) or ( chain 'S' and resid 146 ) or ( chain 'S' and resid 147 ))S79
171X-RAY DIFFRACTION11(( chain 'A' and (resid 274 through 297 )) or ( chain 'S' and resid 79 ) or ( chain 'S' and resid 146 ) or ( chain 'S' and resid 147 ))S146
172X-RAY DIFFRACTION11(( chain 'A' and (resid 274 through 297 )) or ( chain 'S' and resid 79 ) or ( chain 'S' and resid 146 ) or ( chain 'S' and resid 147 ))S147

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万見について

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お知らせ

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2022年2月9日: EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

  • EMDBのヘッダファイルのバージョン3が、公式のフォーマットとなりました。
  • これまでは公式だったバージョン1.9は、アーカイブから削除されます。

関連情報:EMDBヘッダ

外部リンク:wwPDBはEMDBデータモデルのバージョン3へ移行します

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2020年8月12日: 新型コロナ情報

新型コロナ情報

URL: https://pdbj.org/emnavi/covid19.php

新ページ: EM Navigatorに新型コロナウイルスの特設ページを開設しました。

関連情報:Covid-19情報 / 2020年3月5日: 新型コロナウイルスの構造データ

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2020年3月5日: 新型コロナウイルスの構造データ

新型コロナウイルスの構造データ

関連情報:万見生物種 / 2020年8月12日: 新型コロナ情報

外部リンク:COVID-19特集ページ - PDBj / 今月の分子2020年2月：コロナウイルスプロテーアーゼ

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2019年1月31日: EMDBのIDの桁数の変更

EMDBのIDの桁数の変更

  • EMDBエントリに付与されているアクセスコード(EMDB-ID)は4桁の数字(例、EMD-1234)でしたが、間もなく枯渇します。これまでの4桁のID番号は4桁のまま変更されませんが、4桁の数字を使い切った後に発行されるIDは5桁以上の数字(例、EMD-12345)になります。5桁のIDは2019年の春頃から発行される見通しです。
  • EM Navigator/万見では、接頭語「EMD-」は省略されています。

関連情報:Q: 「EMD」とは何ですか？ / 万見/EM NavigatorにおけるID/アクセスコードの表記

外部リンク:EMDB Accession Codes are Changing Soon! / PDBjへお問い合わせ

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2017年7月12日: PDB大規模アップデート

PDB大規模アップデート

  • 新バージョンのPDBx/mmCIF辞書形式に基づくデータがリリースされました。
  • 今回の更新はバージョン番号が4から5になる大規模なもので、全エントリデータの書き換えが行われる「Remediation」というアップデートに該当します。
  • このバージョンアップで、電子顕微鏡の実験手法に関する多くの項目の書式が改定されました(例：em_softwareなど)。
  • EM NavigatorとYorodumiでも、この改定に基づいた表示内容になります。

外部リンク:wwPDB Remediation / OneDepデータ基準に準拠した、より強化された内容のモデル構造ファイルが、PDBアーカイブで公開されました。

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万見 (Yorodumi)

幾万の構造データを、幾万の視点から

  • 万見(Yorodumi)は、EMDB/PDB/SASBDBなどの構造データを閲覧するためのページです。
  • EM Navigatorの詳細ページの後継、Omokage検索のフロントエンドも兼ねています。

関連情報:EMDB / PDB / SASBDB / 3つのデータバンクの比較 / 万見検索 / 2016年8月31日: 新しいEM Navigatorと万見 / 万見文献 / Jmol/JSmol / 機能・相同性情報 / 新しいEM Navigatorと万見の変更点

他の情報も見る