JP2006254834A - サイトカイニン生合成酵素の結晶化及びその利用 - Google Patents

サイトカイニン生合成酵素の結晶化及びその利用 Download PDF

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JP2006254834A
JP2006254834A JP2005078824A JP2005078824A JP2006254834A JP 2006254834 A JP2006254834 A JP 2006254834A JP 2005078824 A JP2005078824 A JP 2005078824A JP 2005078824 A JP2005078824 A JP 2005078824A JP 2006254834 A JP2006254834 A JP 2006254834A
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Hajime Sugawara
肇 菅原
Hitoshi Sakakibara
均 榊原
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RIKEN Institute of Physical and Chemical Research
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Abstract

【課題】 立体構造の解析に適したサイトカイニン生合成酵素の結晶を製造する。また、得られた結晶を用いてサイトカイニン生合成酵素の三次元立体構造を明らかにし、当該構造に基づいてサイトカイニン合成を阻害する化合物をスクリーニングする。
【解決手段】 サイトカイニン生合成酵素を大腸菌細胞内でシャペロンタンパク質と共発現させる工程と、前記大腸菌の破砕液からマグネシウムイオン非存在下において前記サイトカイニン生合成酵素を精製する工程と、得られたサイトカイニン生合成酵素のタンパク質溶液を、マグネシウムイオンと沈殿剤とを含むpH4.5〜6.5の緩衝液を用いて蒸気拡散法により結晶化する。
【選択図】 図1

Description

本発明は、植物ホルモンの一つであるサイトカイニン生合成酵素の結晶化に関する。より詳細には、サイトカイニン生合成酵素tzsの結晶化による立体構造解析に適した結晶の製造及び得られた結晶の利用、さらに、当該酵素の三次元立体構造に基づくサイトカイニン合成阻害剤のスクリーニング方法等に関する。
サイトカイニンは、植物体内で細胞分裂促進、老化の抑制等の働きをする植物ホルモンである。サイトカイニン生合成の律速段階は、アデニンヌクレオチドの6位の窒素原子にジメチルアリルピロリン酸(DMAPP)のジメチルアリル基を転移する反応であると信じられている。これまで、高等植物のシロイヌナズナ(Arabidopsis thaliana)やアグロバクテリウム(Agrobacterium tumefaciens)などで遺伝子が同定されており、例えば、アグロバクテリウムのTi−プラスミドにコードされているtzs遺伝子(例えば、非特許文献1参照)やシロイヌナズナのゲノムから7つの遺伝子(AtIPT1、AtIPT3〜8)が見出されている(例えば、特許文献1、並びに非特許文献2及び3参照)。これらの遺伝子産物の解析によれば、アグロバクテリウム由来のtzsタンパク質はAMPを基質とするのに対し、植物由来の酵素は、DMAPPのジメチルアリル基をATP及びADPの6位の窒素原子に転移することが分かり、サイトカイニン生合成には複数の反応経路が存在すると考えられている。植物中において、サイトカイニンは根端や茎頂の成長点や篩部組織などで合成されることが示唆されているが、サイトカイニン生合成酵素の活性を検出できる組織が限られていることと、この酵素は非常に不安定であることから、これまで生化学的な解析が困難であった。
一方、構造科学的な観点からも、これらの酵素タンパク質の結晶化条件、及び立体構造は未だ明らかでない。タンパク質の結晶化条件を検索するには、ミリグラムオーダーのタンパク質とその安定性の確保が不可欠である。この検索条件に必要なタンパク質量は、一般的な生化学実験に必要な量と比較して2桁から3桁程度多い。したがって、結晶化条件検索のためには、サイトカイニン生合成酵素の大量発現系を構築する必要がある。さらに、本酵素は非常に不安定であり、タンパク質が結晶化する前に、その立体構造が壊れてしまう可能性があるため、大量に発現したタンパク質の精製及び結晶化工程における本酵素の安定性を向上させることも必須である。
国際公開公報第WO 02/072818号パンフレット Beaty, J.S. et al., Mol.Gen. Genet. Vol. 203, pp. 274-280 (1986) Takei, K., et al., J. Biol. Chem. Vol. 276, pp.26405-26410 (2001) Kakimoto, T., Plant Cell Physiol. Vol.42, pp.677-685 (2001)
本発明者らは、サイトカイニン生合成酵素の構造を明らかにするために、シロイヌナズナ由来と、アグロバクテリウム由来のサイトカイニン生合成酵素の発現系を構築する研究を行ってきたが、いずれの系でも発現量が少ないことが問題であった。また、アグロバクテリウム由来のサイトカイニン生合成酵素tzsの場合、大腸菌で発現させると大量に発現するものの、そのほとんどが不溶性となるため、結晶化の条件検索に必要な可溶性タンパク質はごく少量しか得ることができないという問題があった。
そこで、本発明は、立体構造の解析に適したサイトカイニン生合成酵素の結晶を製造することを目的とする。また、得られた結晶を用いてサイトカイニン生合成酵素の三次元立体構造を明らかにし、当該構造に基づいてサイトカイニン合成を阻害する化合物をスクリーニングすることを目的とする。
上記課題に鑑みて、本発明者らは、アグロバクテリウム由来のサイトカイニン生合成酵素tzsの発現、精製及び結晶化条件について鋭意検討を行った結果、特殊な条件下において本酵素を可溶化させたまま取得し、高度な精製を行った後、X線立体構造の解析に適した結晶の製造方法を見出した。また、得られた結晶のX線構造解析を行った結果、本酵素の新規な三次元立体構造及びこれに基づくサイトカイニン合成阻害剤のスクリーニング方法を見出すことによって本発明を完成するに至った。
すなわち、第一の視点において、本発明のサイトカイニン生合成酵素の結晶の製造方法は、サイトカイニン生合成酵素を大腸菌細胞内でシャペロンタンパク質と共発現させる工程と、前記大腸菌細胞から、マグネシウムイオン非存在下においてサイトカイニン生合成酵素を精製する工程と、得られたサイトカイニン生合成酵素のタンパク質溶液を、マグネシウムイオンと沈殿剤とを含むpH4.5〜6.5の緩衝液を用いて蒸気拡散法により結晶化する工程と、を含むことを特徴とする。
第二の視点において、本発明は、斜方晶系の空間群P22に属し、格子定数がa=97.7±0.3Å、b=97.7±0.3Å、c=130.8±0.3Åであるサイトカイニン生合成酵素の新規な結晶を提供する。また、本発明の結晶の多型の1つとして、正方晶系の空間群P42に属し、格子定数がa=b=96.4±2.0Å、c=65.2±2.0Åである結晶が提供される。前記サイトカイニン生合成酵素は、配列番号2に示したアミノ酸配列からなるタンパク質、又は配列番号2に示したアミノ酸配列において1又は数個のアミノ酸が欠失、置換、又は付加されたアミノ酸配列からなり、かつイソペンテニルアデノシン一リン酸(iPAMP)合成活性を有するタンパク質であることを特徴とする。また、本発明は、上記サイトカイニン生合成酵素と、種々の基質類似物(基質アナログ)との複合体の結晶を提供する。これらの結晶は、例えば、基質類似物としてアデノシン二リン酸(ADP)と複合体を形成した場合には正方晶系の空間群P42に属し、格子定数がa=b=97.2±2.0Å、c=65.2±2.0Åを有する。その他の基質類似物との複合体の結晶については、以下の実施形態において詳細に説明される。
また、本発明のさらに異なる視点において、サイトカイニン生合成酵素の立体構造座標データを記憶させたコンピュータを用いて、前記酵素に結合する化合物を設計又は選択する、サイトカイニン生合成酵素阻害剤のスクリーニング方法が提供される。好ましい実施形態において、前記立体構造座標データは、本明細書の表1又は表2に示す原子座標により実質的に規定することができる。
本発明は、サイトカイニン生合成酵素の結晶化条件を初めて見出したものであり、これによりX線結晶構造解析に適した結晶の調製が可能となる。得られた結晶を用いて決定されたサイトカイニン生合成酵素の立体構造は、本酵素の活性発現機構やリガンドとの結合部位の解析に有用である。また、本酵素の立体構造に基づいて、ホモロジーモデリング法により植物由来の立体構造が未知のサイトカイニン生合成酵素の立体構造を推定することができる。
さらに、本酵素反応を阻害する化合物(阻害剤)は、植物の老化を促進することから、除草剤としての利用が可能である。したがって、本発明のスクリーニング方法を用いることにより、新規除草剤の開発が可能となる。
[定義]
サイトカイニン生合成酵素とは、アデニンヌクレオチドとジメチルアリルピロリン酸(DMAPP)からイソペンテニルアデノシン一リン酸(iPAMP)を合成する酵素アデニレートイソペンテニル転移酵素(IPT)をいう。本酵素の遺伝子に関しては、アグロバクテリウム・ツメファシエンスのT−DNAにコードされるipt遺伝子、Ti−プラスミドのvir領域に存在するtzs遺伝子、シュードモナスのいくつかの種に存在するptz遺伝子、ロドコッカス・ファシエンスのipt遺伝子、エルウィニア・ヘルビコラのetz遺伝子などが知られている。これらのうち、アグロバクテリウムのtzs遺伝子産物は酵素反応の詳細について解析されており(Powell,G.K. et al., Molecular Plant-Microbe Interactions Vol.1, No.6, pp.235-242 1988)、基質であるアデニンヌクレオチドとしてAMPを利用することが知られている。これに対し、植物細胞由来のIPTは、例えば、シロイヌナズナでは7種類の遺伝子が単離されており、これらは基質であるアデニンヌクレオチドとしてADPやATPを利用する。これらの酵素タンパク質は、いずれもイソペンテニル基を転移する共通の反応を触媒することから互いに相同な立体構造を有すると考えられるが、アミノ酸レベルにおける相同性はそれほど高くなく、20%程度のものも存在する。ヌクレオチド結合モチーフとしてのp−ループ(GXXXXGK[T又はS])を有することが知られている。
本明細書において、アグロバクテリウム由来のサイトカイニン生合成酵素tzsは、実質的に配列番号2に示したアミノ酸配列からなる。「実質的に」とは、例えば、上記タンパク質の他に、配列番号2に示したアミノ酸配列において1又は数個のアミノ酸が欠失、置換、又は付加されたアミノ酸配列からなり、かつiPAMP合成活性を有するタンパク質も含まれることをいう。
また、本明細書において、「サイトカイニン生合成酵素」とは、配列番号2に示したアミノ酸配列からなるタンパク質又は前記アミノ酸配列と少なくとも50%、好ましくは70%、80%、85%、90%、97%、98%以上の相同性を有するタンパク質であり、かつiPAMP合成活性を有するタンパク質をいう。タンパク質の相同性(ホモロジー)の程度は、2つのタンパク質のアミノ酸配列同士を適切に整列(アライメント)したときの同一性のパーセント値で表わすことができ、当該配列間の正確な一致の出現率を意味する。同一性比較のための配列間での適切な整列は種々のアルゴリズム、例えば、BLASTアルゴリズムを用いて決定することができる(Altschul SF J Mol Biol 1990 Oct 5; 215(3):403-10)。
用語「リガンド」とは、サイトカイニン生合成酵素と結合する他のタンパク質、ヌクレオチド、又は低分子化合物をいい、具体的には、AMPやDMAPPなどの基質、及びそれらの誘導体からなる基質類似物が含まれる。用語「基質類似物」には、例えば、ADP、アデノシン5’−(β、γ−イミド)三リン酸(AMP−PNP)、及びジメチルアリル−S−チオロ−二リン酸(DMASPP)が含まれるがこれらに限定されない。用語「候補化合物」とは、本発明のスクリーニング方法を用いて、サイトカイニン生合成の阻害剤となる可能性のある化合物であって、特に限定されるものではないが、例えば、ケミカルファイルに登録されている種々の公知化合物、コンビナトリアルケミストリー技術、又は通常の合成技術によって得られた化合物群を用いることができる。また、微生物の培養上清、植物若しくは潰瘍生物由来の天然物質又は動物組織抽出物などもスクリーニングの候補化合物として用いることができる。さらには、本発明のスクリーニング方法により得られた化合物を化学的又は生物学的に修飾した化合物も用いることができる。
[サイトカイニン生合成酵素の結晶化]
タンパク質の立体構造を明らかにする手法として、最も一般的に行われているのは、X線結晶構造解析の手法である。即ち、タンパク質を結晶化し、その結晶に単色化されたX線をあて、得られたX線の回折像を基に、該タンパク質の立体構造を明らかにしていくものである(Blundell, T.L.及びJohnson,L.N., PROTEIN CRYSTALLOGRAPHY, p.1-565, (1976) Academic Press, New York)。
結晶化は、目的のタンパク質溶液に沈殿剤を添加し、または溶媒量を蒸発等によって減少させる等の操作によって、タンパク質が溶液状態から非溶液状態になる場合において、ある特定の条件において結晶として析出する性質を利用している。結晶化には高純度に精製されたタンパク質が必要である。また、結晶化する条件として、タンパク質濃度、塩濃度、水素イオン濃度(pH)、添加する沈殿剤の種類、温度等の物理的及び化学的な因子が関与している。さらには、沈殿剤添加や溶媒量の調整方法として、バッチ法、透析法、蒸気拡散法などの結晶化の手法が数多く存在している(Blundell, T.L.及びJohnson,L.N., PROTEIN CRYSTALLOGRAPHY, p.59-82, (1976) Academic Press, New York)。例えば、蒸気拡散法は、気相を通じて拡散によって揮発性の溶媒や沈殿剤が移動するようなしくみである。タンパク質溶液が沈殿剤溶液とのあいだで蒸気拡散することにより、タンパク質濃度と沈殿剤濃度が共に高まって過飽和の領域で結晶化が起こる。タンパク質溶液の液滴をどうつくるかによって、ハンギングドロップ法、シッティングドロップ法、サンドイッチドロップ法等の方法がある。このようにX線結晶解析に適したタンパク質の結晶を得るには、それぞれのタンパク質において、高純度のタンパク質を得ることと、結晶化における種々の因子や結晶化法を最適化する検討が必要になる。特に高純度のタンパク質の調製は結晶化を成功させるための重要な因子である。このために、クローン化した遺伝子を効率的かつ安定に発現させることにより迅速かつ均一なタンパク質を調製することが重要である。
本発明のサイトカイニン生合成酵素の結晶は、以下のようにして調製される。アグロバクテリウム由来のサイトカイニン生合成酵素tzsのアミノ酸配列及びこれをコードする遺伝子配列は既に公知であり、例えば、GenBankデータベースのAccession No.X03933(配列番号1及び2参照)に公開されている。したがって、これらの塩基配列に基づき、当業者であれば細菌や動物細胞等の種々の宿主においてサイトカイニン生合成酵素tzsを発現させる発現ベクターを容易に作製することができる。
本発明において、組換え大腸菌を用いた系においてシャペロンタンパク質と共発現させることによりサイトカイニン生合成酵素tzsを大量発現させることができる。シャペロンタンパク質と共発現させることにより大腸菌内で不溶化していたtzsタンパク質のほとんどが可溶性になり、結晶化及びその条件検索に必要なタンパク質を確保することができる。組換え大腸菌において異種遺伝子を大量に発現させるための種々のプラスミドベクター等が市販されている。例えば、強力なT7ファージプロモーターの下流に発現させたい遺伝子を導入し、宿主大腸菌により供給されるT7RNAポリメラーゼによって転写されるpETシステム(Novagen社)等を用いることができる。このシステムでは、T7RNAポリメラーゼ遺伝子は宿主大腸菌染色体に組み込まれており、lacUV5プロモーター下流にあるためIPTG添加による誘導で発現をコントロールすることができる。また、サイトカイニン生合成酵素tzsのN末端側やC末端側に種々のタグ配列を導入しておくことによって、金属キレート樹脂(ヒスチジンタグ)や抗体(T7タグ、CBDタグ等)等を使って簡単に精製することができる。精製された融合タンパク質は、エンテロキナーゼやトロンビン等のプロテアーゼを用いて更にサイトカイニン生合成酵素tzs部分のみを回収することが可能である。
発現したタンパク質が細胞内で正しく折りたたまれるために、それを介助する分子シャペロンの存在が知られている。例えば、大腸菌では、dnaK、dnaJ、grpE、groES、groEL及びtig等が知られており(Thomas, J.G., et al., (1997) Appl. Biochem. Biotech, 66, 197-238、及びNishihara, K, et al., (2000) Appl. Environ. Microbiol., 66, 884-889)、これらの分子シャペロンを発現するシャペロンプラスミドも市販されている(例えば、タカラバイオ株式会社製)。これらのシャペロンタンパク質のいずれか又は共同して、tzsタンパク質を共発現させることにより、従来封入体を形成していたタンパク質の可溶性画分への回収効率を高めることができる。
また、本発明のタンパク質を発現する組換え大腸菌等を、X線回折実験に適した波長領域で異常分散効果の観測できる重原子であるセレンを含有したセレノメチオニンあるいはセレノシステインを含む培地で生育、培養することによりtzsタンパク質中のメチオニンあるいはシステイン残基がセレノメチオニン又はセレノシステインに置換されたタンパク質が取得される。
更に結晶化に適するように、これらのタンパク質を高純度に精製する。精製法としては、カラムクロマトグラフィー(アフィニティー、疎水、イオン交換、ゲルろ過等)、塩析、遠心分離、電気泳動等、当業者においてタンパク質を精製する方法として一般的に行われている方法を単独で又は組み合わせて用いることができる。サイトカイニン生合成酵素tzsは非常に不安定で、一晩で可溶性画分がある程度不溶化してしまうことがある。そこで、精製工程において、本酵素活性に必須のマグネシウムイオンを取り除くことによって本酵素の安定性を顕著に改善することができる。
本発明においてtzsタンパク質を結晶化させるためには、例えば、蒸気拡散法を用い、pH=4.5〜6.5、好ましくはpH=5.0〜5.4で、タンパク質濃度3〜20mg/ml、温度4℃の条件下で、沈殿剤として1〜2Mのギ酸ナトリウムと1〜10mMの酢酸マグネシウム、及び0.05〜0.2Mの酢酸ナトリウムを用いた場合にtzsタンパク質の結晶が得られる。上記セレン含有培地で培養することによる重原子のタンパク質中への導入方法の他に、天然型のタンパク質結晶を、金、白金、イリジウム、オスミウム、水銀、鉛、ウラン、サマリウム等を含む金属塩又は有機金属化合物の溶液に浸漬することによっても重原子誘導体結晶を作製することができ、重原子同型置換法及び多波長異常分散法を適用する場合に利用される。
このような方法に従って、本発明者らはサイトカイニン生合成酵素tzsタンパク質の結晶を作製し、X線結晶構造解析を行い、その3次元立体構造を明らかにした。当該結晶は、1つの実施形態として、tzsタンパク質のみを用いて結晶化した場合には、斜方晶系(orthorhombic)の空間群P22を有し、単位格子がa=97.7±2.0Å、b=97.7±2.0Å、c=130.8±2.0Åの格子定数を有する。他の1つの実施形態として、tzsタンパク質とAMP若しくはADP、又はAMP−PNP(ATPアナログ)とを共存させて結晶化した場合は、正方晶系の空間群P42を有し、単位格子は、AMP共存下でa=b=96.4±2.0Å、c=65.2±2.0Å、ADP共存下でa=b=97.2±2.0Å、c=65.2±2.0Å、及びAMP−PNP共存下ではa=b=97.1±2.0Å、c=65.3±2.0Åの格子定数を有する。基質アナログであるジメチルアリル−S−チオロ−二リン酸(dimethylallyl S-thiolo-diphosphate:DMASPP)と亜鉛イオンとの複合体の結晶では、正方晶系(空間群P4格子定数a=b=97.9±2.0Å、c=65.3±2.0Å)と、斜方晶系(空間群P22、格子定数a=97.9±2.0Å、b=98.0±2.0Å、c=130.6±2.0Å)との両方の結晶が得られる。構造精密化において、斜方晶系と正方晶系由来の回折強度データを用いた場合とで比較すると、構造の確かさを示す結晶学的信頼度因子R値は、斜方晶系結晶のデータにおいて高い値を示す(すなわち、信頼性が低い)。従って、結晶構造の信頼性を確保するため、本発明においては正方晶系の結晶構造を採用している。
[X線結晶構造解析による立体構造の決定]
このようにして得たサイトカイニン生合成酵素tzsタンパク質の結晶の構造を当業者に知られたX線結晶構造解析技術を用いて解析する。類縁タンパク質の立体構造が未知であり、その立体構造を利用した分子置換法による構造解析が不可能な本発明のような立体構造決定においては、重原子置換法又は多波長異常分散法(MAD法)が適用され得る。本発明の一つの実施態様に於いて、X線結晶解析は、MAD法であり、これに用いられるX線は、シンクロトロン放射光から得られる0.3〜3.0Åの波長である。MAD法は、入射X線エネルギー近傍の吸収端をもつ重原子同型置換結晶から、複数の波長によるX線回折データを得る方法である。X線と該重原子の電子殻との共鳴でX線の散乱に差を生じ、これによってタンパク質の構造解析での位相問題を解決することができる。この方法の原理はすでに古くから知られていたが、波長可変であるシンクロトロン放射光の出現によって始めてタンパク質の構造決定に使用されるようになり、ヘンドリクソンらがこの方法によって初めてタンパク質の構造解析に成功した(Hendrickson W.A. et al., Proteins 4, 77-88, 1988及び、Hendrickson W.A. et al., EMBO J.5, 1665-1672, 1990参照)。
シンクロトロン放射光とは、蓄積リングに打ち込まれた電子を磁場によって加速して得られる放射光であり、通常のX線発生装置よりも極めて強いエネルギーを有する。理研播磨研究所の第三世代大型放射光設備 SPring−8(8GeV)等が使用可能である。
測定した回折画像データは、プログラムHKL2000(リガク)又は同様な画像処理プログラムを用いて、反射強度データに処理される。天然型結晶の反射強度データ、複数波長での重原子置換結晶の反射強度データから、差パターソン図を利用して結晶中のタンパク質に結合した重原子の位置を求めた後、プログラムSOLVE、SHARP若しくはCCP4又は同様の回折データ解析プログラムを用いて重原子位置パラメータを精密化することにより初期位相が決定される。決定された初期位相は、プログラムDM(CCP4パッケージ)、RESOLVE又は同様な位相改良プログラム(電子密度改良プログラム)を用いた溶媒平滑化法に従って、信頼性の高い位相へと改良される。
tzsタンパク質の立体構造モデルは、プログラムOやXfit等により3次元グラフィックス上に表示した電子密度図から、以下の手順で構築し得る。まず、一般にはらせん構造をしている電子密度を選び出し、その部分から主鎖(ポリペプチド鎖)を置いていき、そこから順次主鎖を伸ばしていく。ある程度主鎖の同定を進めたところで、側鎖の同定も同時に行う。アミノ酸配列と側鎖に相当する電子密度を照らし合わせることによって、アミノ酸番号を同定する。セレノメチオニン置換タンパク質を用いた多波長異常分散法の場合、セレンの位置、すなわちメチオニンの位置が既に明らかになっているので、アミノ酸配列と照らし合わせることで、簡単にどのメチオニンかを同定することができる。また最近では、プログラムRESOLVEやARP/wARPなど、自動でこれら一連の作業を行うものもある。順次この作業を繰り返すことにより、tzsタンパク質のすべてのアミノ酸残基を相当する電子密度に適合させ、複合体全体の初期立体構造モデルを構築する。構築された立体構造モデルは、それを出発モデル構造として、構造精密化プログラムであるCNSやREFMAC等の精密化プロトコルに従って、立体構造を記述する三次元座標が精密化される。精密化の進行状況や分子モデルのチェックは、以下の指標により確認することができる。信頼度因子(R因子)は、回折強度測定で得られた結晶構造因子の絶対値と分子モデルから計算した結晶構造因子の絶対値の一致度を示す尺度であり、精密化が正常に進行すると小さな値となる。また、タンパク質の主鎖の二面角を計算しそれらをプロットしてそれらの値が許容される領域にあるかどうかを確認する方法(ラマチャンドランプロット)も用いられる。
このようにして本発明のサイトカイニン生合成酵素tzsタンパク質の3次元原子座標(各原子の空間的な位置関係を示す値)が初めて得られる。得られた原子座標を当業者にとって一般的に用いられている表記法であるプロテイン・データ・バンクのテキスト形式に従って以下に示す。
[表1]AMP共存下において結晶化したtzsタンパク質の原子座標
HEADER ---- XX-XXX-XX xxxx
COMPND ---
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : REFMAC 5.2.0005
REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON
REMARK 3
REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.31
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 68.20
REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE
REMARK 3 COMPLETENESS FOR RANGE (%) : 97.87
REMARK 3 NUMBER OF REFLECTIONS : 13059
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING + TEST SET) : 0.20350
REMARK 3 R VALUE (WORKING SET) : 0.20098
REMARK 3 FREE R VALUE : 0.25433
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.0
REMARK 3 FREE R VALUE TEST SET COUNT : 682
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 20
REMARK 3 BIN RESOLUTION RANGE HIGH : 2.308
REMARK 3 BIN RESOLUTION RANGE LOW : 2.368
REMARK 3 REFLECTION IN BIN (WORKING SET) : 896
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 91.87
REMARK 3 BIN R VALUE (WORKING SET) : 0.227
REMARK 3 BIN FREE R VALUE SET COUNT : 42
REMARK 3 BIN FREE R VALUE : 0.275
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 ALL ATOMS : 1894
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 44.708
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : 2.08
REMARK 3 B22 (A**2) : 2.08
REMARK 3 B33 (A**2) : -4.16
REMARK 3 B12 (A**2) : 0.00
REMARK 3 B13 (A**2) : 0.00
REMARK 3 B23 (A**2) : 0.00
REMARK 3
REMARK 3 ESTIMATED OVERALL COORDINATE ERROR.
REMARK 3 ESU BASED ON R VALUE (A): 0.279
REMARK 3 ESU BASED ON FREE R VALUE (A): 0.229
REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.166
REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 13.077
REMARK 3
REMARK 3 CORRELATION COEFFICIENTS.
REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.943
REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.919
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT
REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1890 ; 0.027 ; 0.021
REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2564 ; 2.258 ; 1.977
REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 226 ; 6.638 ; 5.000
REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 93 ;40.404 ;22.903
REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 324 ;17.252 ;15.000
REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 21 ;19.064 ;15.000
REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 276 ; 0.137 ; 0.200
REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1445 ; 0.009 ; 0.020
REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 841 ; 0.217 ; 0.200
REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1273 ; 0.312 ; 0.200
REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 85 ; 0.168 ; 0.200
REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 28 ; 0.141 ; 0.200
REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 5 ; 0.180 ; 0.200
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT
REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1193 ; 1.190 ; 1.500
REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1820 ; 1.855 ; 2.000
REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 840 ; 3.243 ; 3.000
REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 744 ; 4.753 ; 4.500
REMARK 3
REMARK 3 NCS RESTRAINTS STATISTICS
REMARK 3 NUMBER OF NCS GROUPS : NULL
REMARK 3
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS : 1
REMARK 3 ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY
REMARK 3
REMARK 3 TLS GROUP : 1
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 1 A 227
REMARK 3 ORIGIN FOR THE GROUP (A): 66.9620 57.6773 18.0742
REMARK 3 T TENSOR
REMARK 3 T11: 0.0050 T22: -0.1912
REMARK 3 T33: -0.1151 T12: -0.0609
REMARK 3 T13: 0.0553 T23: -0.0206
REMARK 3 L TENSOR
REMARK 3 L11: 1.6583 L22: 3.1512
REMARK 3 L33: 1.6541 L12: -1.0748
REMARK 3 L13: -0.8651 L23: 0.6179
REMARK 3 S TENSOR
REMARK 3 S11: 0.1167 S12: 0.1728 S13: 0.0822
REMARK 3 S21: -0.3519 S22: -0.0020 S23: -0.2966
REMARK 3 S31: 0.0658 S32: -0.2005 S33: -0.1147
REMARK 3
REMARK 3
REMARK 3 BULK SOLVENT MODELLING.
REMARK 3 METHOD USED : MASK
REMARK 3 PARAMETERS FOR MASK CALCULATION
REMARK 3 VDW PROBE RADIUS : 1.20
REMARK 3 ION PROBE RADIUS : 0.80
REMARK 3 SHRINKAGE RADIUS : 0.80
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
REMARK 3
CRYST1 96.392 96.392 65.197 90.00 90.00 90.00 P 42 21 2
SCALE1 0.010374 0.000000 0.000000 0.00000
SCALE2 0.000000 0.010374 0.000000 0.00000
SCALE3 0.000000 0.000000 0.015338 0.00000
ATOM 1 N MET A 1 51.101 78.593 21.801 1.00 49.42 N
ATOM 2 CA MET A 1 52.432 77.889 21.786 1.00 49.18 C
ATOM 3 CB MET A 1 52.367 76.612 22.607 1.00 49.06 C
ATOM 4 CG MET A 1 53.654 75.804 22.521 1.00 51.11 C
ATOM 5 SD MET A 1 53.865 74.798 23.948 1.00 56.03 S
ATOM 6 CE MET A 1 52.670 73.523 23.669 1.00 51.66 C
ATOM 7 C MET A 1 52.945 77.560 20.388 1.00 46.98 C
ATOM 8 O MET A 1 52.178 77.149 19.509 1.00 45.61 O
ATOM 9 N LEU A 2 54.256 77.736 20.200 1.00 45.90 N
ATOM 10 CA LEU A 2 54.904 77.451 18.921 1.00 45.05 C
ATOM 11 CB LEU A 2 55.930 78.528 18.580 1.00 45.30 C
ATOM 12 CG LEU A 2 56.880 78.364 17.360 1.00 46.53 C
ATOM 13 CD1 LEU A 2 56.107 78.264 16.020 1.00 47.23 C
ATOM 14 CD2 LEU A 2 57.787 79.617 17.271 1.00 46.48 C
ATOM 15 C LEU A 2 55.605 76.103 18.988 1.00 44.20 C
ATOM 16 O LEU A 2 56.384 75.887 19.893 1.00 44.60 O
ATOM 17 N LEU A 3 55.328 75.200 18.047 1.00 43.19 N
ATOM 18 CA LEU A 3 55.923 73.886 18.091 1.00 42.61 C
ATOM 19 CB LEU A 3 54.861 72.779 17.970 1.00 41.54 C
ATOM 20 CG LEU A 3 53.832 72.543 19.050 1.00 40.95 C
ATOM 21 CD1 LEU A 3 52.921 71.394 18.663 1.00 39.70 C
ATOM 22 CD2 LEU A 3 54.516 72.233 20.441 1.00 37.64 C
ATOM 23 C LEU A 3 56.925 73.821 16.923 1.00 43.07 C
ATOM 24 O LEU A 3 56.531 74.029 15.750 1.00 42.52 O
ATOM 25 N HIS A 4 58.202 73.555 17.249 1.00 42.03 N
ATOM 26 CA HIS A 4 59.224 73.464 16.224 1.00 43.03 C
ATOM 27 CB HIS A 4 60.528 74.159 16.603 1.00 42.35 C
ATOM 28 CG HIS A 4 61.422 74.384 15.428 1.00 46.13 C
ATOM 29 ND1 HIS A 4 62.037 75.593 15.175 1.00 51.23 N
ATOM 30 CE1 HIS A 4 62.721 75.517 14.044 1.00 50.11 C
ATOM 31 NE2 HIS A 4 62.530 74.319 13.527 1.00 49.94 N
ATOM 32 CD2 HIS A 4 61.695 73.602 14.356 1.00 51.47 C
ATOM 33 C HIS A 4 59.519 71.994 15.920 1.00 42.93 C
ATOM 34 O HIS A 4 60.254 71.357 16.672 1.00 44.11 O
ATOM 35 N LEU A 5 58.945 71.475 14.829 1.00 41.87 N
ATOM 36 CA LEU A 5 59.030 70.069 14.511 1.00 41.16 C
ATOM 37 CB LEU A 5 57.760 69.633 13.768 1.00 42.28 C
ATOM 38 CG LEU A 5 57.657 68.197 13.192 1.00 42.15 C
ATOM 39 CD1 LEU A 5 57.647 67.105 14.337 1.00 38.22 C
ATOM 40 CD2 LEU A 5 56.368 68.141 12.381 1.00 40.81 C
ATOM 41 C LEU A 5 60.223 69.852 13.606 1.00 40.69 C
ATOM 42 O LEU A 5 60.297 70.438 12.547 1.00 39.90 O
ATOM 43 N ILE A 6 61.143 68.999 14.027 1.00 39.86 N
ATOM 44 CA ILE A 6 62.266 68.657 13.230 1.00 38.87 C
ATOM 45 CB ILE A 6 63.626 69.038 13.915 1.00 39.99 C
ATOM 46 CG1 ILE A 6 63.705 70.581 14.196 1.00 40.18 C
ATOM 47 CD1 ILE A 6 64.852 71.034 15.126 1.00 36.95 C
ATOM 48 CG2 ILE A 6 64.824 68.606 12.984 1.00 40.09 C
ATOM 49 C ILE A 6 62.208 67.165 13.017 1.00 39.98 C
ATOM 50 O ILE A 6 62.319 66.386 13.980 1.00 40.20 O
ATOM 51 N TYR A 7 62.024 66.721 11.784 1.00 39.85 N
ATOM 52 CA TYR A 7 61.992 65.285 11.603 1.00 40.54 C
ATOM 53 CB TYR A 7 60.526 64.716 11.612 1.00 40.50 C
ATOM 54 CG TYR A 7 59.703 64.966 10.361 1.00 39.47 C
ATOM 55 CD1 TYR A 7 59.303 66.273 9.992 1.00 40.42 C
ATOM 56 CE1 TYR A 7 58.512 66.540 8.828 1.00 38.71 C
ATOM 57 CZ TYR A 7 58.124 65.435 8.001 1.00 41.93 C
ATOM 58 OH TYR A 7 57.380 65.642 6.864 1.00 39.11 O
ATOM 59 CE2 TYR A 7 58.495 64.115 8.358 1.00 40.05 C
ATOM 60 CD2 TYR A 7 59.304 63.898 9.546 1.00 41.03 C
ATOM 61 C TYR A 7 62.814 64.860 10.413 1.00 41.32 C
ATOM 62 O TYR A 7 63.145 65.665 9.516 1.00 40.32 O
ATOM 63 N GLY A 8 63.191 63.595 10.401 1.00 41.92 N
ATOM 64 CA GLY A 8 63.888 63.133 9.234 1.00 43.28 C
ATOM 65 C GLY A 8 64.666 61.889 9.547 1.00 43.61 C
ATOM 66 O GLY A 8 64.659 61.455 10.683 1.00 42.19 O
ATOM 67 N PRO A 9 65.368 61.327 8.538 1.00 44.29 N
ATOM 68 CA PRO A 9 66.009 60.017 8.800 1.00 44.74 C
ATOM 69 CB PRO A 9 66.518 59.596 7.404 1.00 45.24 C
ATOM 70 CG PRO A 9 66.768 60.903 6.709 1.00 44.92 C
ATOM 71 CD PRO A 9 65.647 61.813 7.178 1.00 43.74 C
ATOM 72 C PRO A 9 67.167 60.163 9.801 1.00 44.85 C
ATOM 73 O PRO A 9 67.636 61.279 10.088 1.00 42.94 O
ATOM 74 N THR A 10 67.588 59.007 10.284 1.00 46.00 N
ATOM 75 CA THR A 10 68.780 58.808 11.087 1.00 47.10 C
ATOM 76 CB THR A 10 68.963 57.290 11.283 1.00 47.40 C
ATOM 77 OG1 THR A 10 70.077 57.022 12.162 1.00 49.31 O
ATOM 78 CG2 THR A 10 69.120 56.576 9.950 1.00 44.70 C
ATOM 79 C THR A 10 70.051 59.399 10.507 1.00 47.83 C
ATOM 80 O THR A 10 70.246 59.371 9.266 1.00 47.43 O
ATOM 81 N CYS A 11 70.930 59.878 11.398 1.00 48.02 N
ATOM 82 CA CYS A 11 72.188 60.538 11.028 1.00 48.61 C
ATOM 83 CB CYS A 11 73.222 59.514 10.433 1.00 48.06 C
ATOM 84 SG CYS A 11 73.373 57.841 11.347 1.00 54.31 S
ATOM 85 C CYS A 11 71.943 61.740 10.067 1.00 48.54 C
ATOM 86 O CYS A 11 72.598 61.909 9.066 1.00 47.91 O
ATOM 87 N SER A 12 70.956 62.560 10.338 1.00 50.26 N
ATOM 88 CA SER A 12 70.748 63.769 9.525 1.00 51.04 C
ATOM 89 CB SER A 12 69.291 63.843 9.093 1.00 52.44 C
ATOM 90 OG SER A 12 68.969 62.844 8.127 1.00 56.46 O
ATOM 91 C SER A 12 71.036 65.039 10.294 1.00 50.90 C
ATOM 92 O SER A 12 70.544 66.109 9.876 1.00 51.35 O
ATOM 93 N GLY A 13 71.751 64.911 11.435 1.00 50.30 N
ATOM 94 CA GLY A 13 72.079 66.034 12.351 1.00 49.91 C
ATOM 95 C GLY A 13 70.891 66.752 13.051 1.00 49.81 C
ATOM 96 O GLY A 13 71.080 67.839 13.626 1.00 50.45 O
ATOM 97 N LYS A 14 69.687 66.176 12.960 1.00 47.64 N
ATOM 98 CA LYS A 14 68.480 66.699 13.588 1.00 48.17 C
ATOM 99 CB LYS A 14 67.183 65.762 13.439 1.00 46.81 C
ATOM 100 CG LYS A 14 67.251 64.360 12.889 1.00 49.56 C
ATOM 101 CD LYS A 14 66.260 63.216 13.564 1.00 48.57 C
ATOM 102 CE LYS A 14 66.768 61.772 13.152 1.00 46.81 C
ATOM 103 NZ LYS A 14 66.487 60.443 14.099 1.00 43.53 N
ATOM 104 C LYS A 14 68.714 67.004 15.063 1.00 47.36 C
ATOM 105 O LYS A 14 68.288 68.019 15.562 1.00 46.50 O
ATOM 106 N THR A 15 69.362 66.074 15.763 1.00 48.11 N
ATOM 107 CA THR A 15 69.610 66.257 17.179 1.00 47.72 C
ATOM 108 CB THR A 15 70.125 64.955 17.896 1.00 46.82 C
ATOM 109 OG1 THR A 15 69.068 64.007 17.916 1.00 47.39 O
ATOM 110 CG2 THR A 15 70.418 65.220 19.366 1.00 47.61 C
ATOM 111 C THR A 15 70.410 67.512 17.482 1.00 46.54 C
ATOM 112 O THR A 15 70.034 68.251 18.348 1.00 46.13 O
ATOM 113 N ASP A 16 71.478 67.761 16.755 1.00 47.90 N
ATOM 114 CA ASP A 16 72.314 68.926 16.986 1.00 49.56 C
ATOM 115 CB ASP A 16 73.488 68.830 16.033 1.00 52.58 C
ATOM 116 CG ASP A 16 74.686 68.153 16.664 1.00 60.14 C
ATOM 117 OD1 ASP A 16 75.349 68.834 17.519 1.00 67.95 O
ATOM 118 OD2 ASP A 16 74.954 66.981 16.306 1.00 61.58 O
ATOM 119 C ASP A 16 71.587 70.216 16.681 1.00 47.82 C
ATOM 120 O ASP A 16 71.676 71.201 17.373 1.00 46.30 O
ATOM 121 N MET A 17 70.875 70.173 15.582 1.00 47.17 N
ATOM 122 CA MET A 17 70.079 71.253 15.172 1.00 48.09 C
ATOM 123 CB MET A 17 69.474 70.864 13.845 1.00 47.82 C
ATOM 124 CG MET A 17 68.410 71.812 13.471 1.00 51.63 C
ATOM 125 SD MET A 17 67.760 71.558 11.820 1.00 58.08 S
ATOM 126 CE MET A 17 66.438 72.850 12.047 1.00 54.44 C
ATOM 127 C MET A 17 68.991 71.619 16.273 1.00 46.90 C
ATOM 128 O MET A 17 68.859 72.805 16.627 1.00 46.25 O
ATOM 129 N ALA A 18 68.269 70.607 16.819 1.00 43.61 N
ATOM 130 CA ALA A 18 67.389 70.812 17.996 1.00 43.05 C
ATOM 131 CB ALA A 18 66.772 69.501 18.424 1.00 38.56 C
ATOM 132 C ALA A 18 68.089 71.466 19.210 1.00 42.01 C
ATOM 133 O ALA A 18 67.559 72.407 19.866 1.00 40.02 O
ATOM 134 N ILE A 19 69.243 70.895 19.570 1.00 42.01 N
ATOM 135 CA ILE A 19 70.017 71.453 20.659 1.00 41.66 C
ATOM 136 CB ILE A 19 71.270 70.604 20.921 1.00 40.11 C
ATOM 137 CG1 ILE A 19 70.833 69.216 21.387 1.00 41.87 C
ATOM 138 CD1 ILE A 19 71.944 68.109 21.159 1.00 38.20 C
ATOM 139 CG2 ILE A 19 72.155 71.260 21.972 1.00 41.90 C
ATOM 140 C ILE A 19 70.342 72.940 20.454 1.00 41.33 C
ATOM 141 O ILE A 19 70.275 73.731 21.372 1.00 41.69 O
ATOM 142 N GLN A 20 70.660 73.320 19.237 1.00 41.99 N
ATOM 143 CA GLN A 20 71.073 74.688 18.964 1.00 42.62 C
ATOM 144 CB GLN A 20 71.572 74.752 17.529 1.00 43.38 C
ATOM 145 CG GLN A 20 72.185 76.107 17.156 1.00 53.60 C
ATOM 146 CD GLN A 20 73.403 76.426 18.057 1.00 60.75 C
ATOM 147 OE1 GLN A 20 74.280 75.518 18.279 1.00 60.05 O
ATOM 148 NE2 GLN A 20 73.443 77.690 18.626 1.00 55.22 N
ATOM 149 C GLN A 20 69.886 75.612 19.191 1.00 41.07 C
ATOM 150 O GLN A 20 69.983 76.630 19.854 1.00 38.37 O
ATOM 151 N ILE A 21 68.722 75.220 18.681 1.00 41.51 N
ATOM 152 CA ILE A 21 67.514 76.043 18.933 1.00 42.52 C
ATOM 153 CB ILE A 21 66.280 75.551 18.028 1.00 43.61 C
ATOM 154 CG1 ILE A 21 66.646 75.734 16.536 1.00 42.41 C
ATOM 155 CD1 ILE A 21 65.807 74.975 15.564 1.00 43.65 C
ATOM 156 CG2 ILE A 21 64.977 76.375 18.344 1.00 40.59 C
ATOM 157 C ILE A 21 67.221 76.117 20.448 1.00 42.58 C
ATOM 158 O ILE A 21 66.755 77.160 20.996 1.00 40.70 O
ATOM 159 N ALA A 22 67.528 74.998 21.130 1.00 41.33 N
ATOM 160 CA ALA A 22 67.185 74.891 22.553 1.00 41.86 C
ATOM 161 CB ALA A 22 67.231 73.419 23.106 1.00 38.92 C
ATOM 162 C ALA A 22 68.093 75.820 23.352 1.00 41.42 C
ATOM 163 O ALA A 22 67.601 76.455 24.269 1.00 39.92 O
ATOM 164 N GLN A 23 69.402 75.841 23.047 1.00 41.49 N
ATOM 165 CA GLN A 23 70.314 76.799 23.729 1.00 42.52 C
ATOM 166 CB GLN A 23 71.835 76.678 23.376 1.00 41.39 C
ATOM 167 CG GLN A 23 72.494 75.289 23.149 1.00 45.17 C
ATOM 168 CD GLN A 23 74.023 75.361 22.575 1.00 47.19 C
ATOM 169 OE1 GLN A 23 74.720 76.328 22.844 1.00 55.59 O
ATOM 170 NE2 GLN A 23 74.498 74.321 21.840 1.00 53.16 N
ATOM 171 C GLN A 23 69.841 78.257 23.464 1.00 41.26 C
ATOM 172 O GLN A 23 69.755 79.056 24.383 1.00 41.15 O
ATOM 173 N GLU A 24 69.510 78.615 22.235 1.00 41.16 N
ATOM 174 CA GLU A 24 69.067 80.005 21.970 1.00 40.49 C
ATOM 175 CB GLU A 24 68.972 80.260 20.464 1.00 40.14 C
ATOM 176 CG GLU A 24 70.343 80.367 19.707 1.00 41.64 C
ATOM 177 CD GLU A 24 70.281 79.833 18.208 1.00 41.89 C
ATOM 178 OE1 GLU A 24 71.347 79.807 17.481 1.00 40.96 O
ATOM 179 OE2 GLU A 24 69.154 79.398 17.796 1.00 43.43 O
ATOM 180 C GLU A 24 67.734 80.393 22.656 1.00 40.36 C
ATOM 181 O GLU A 24 67.596 81.534 23.179 1.00 38.97 O
ATOM 182 N THR A 25 66.750 79.477 22.615 1.00 39.07 N
ATOM 183 CA THR A 25 65.394 79.763 23.133 1.00 39.64 C
ATOM 184 CB THR A 25 64.284 78.954 22.345 1.00 39.65 C
ATOM 185 OG1 THR A 25 64.590 77.544 22.425 1.00 42.42 O
ATOM 186 CG2 THR A 25 64.278 79.351 20.861 1.00 37.94 C
ATOM 187 C THR A 25 65.226 79.465 24.640 1.00 39.93 C
ATOM 188 O THR A 25 64.407 80.104 25.337 1.00 38.50 O
ATOM 189 N GLY A 26 65.953 78.468 25.154 1.00 39.43 N
ATOM 190 CA GLY A 26 65.654 78.024 26.518 1.00 40.52 C
ATOM 191 C GLY A 26 64.559 76.924 26.584 1.00 42.66 C
ATOM 192 O GLY A 26 64.262 76.455 27.690 1.00 42.33 O
ATOM 193 N TRP A 27 63.970 76.526 25.419 1.00 42.29 N
ATOM 194 CA TRP A 27 62.857 75.569 25.295 1.00 40.53 C
ATOM 195 CB TRP A 27 62.045 75.742 23.997 1.00 40.10 C
ATOM 196 CG TRP A 27 61.549 77.090 23.748 1.00 41.94 C
ATOM 197 CD1 TRP A 27 61.502 78.128 24.648 1.00 41.97 C
ATOM 198 NE1 TRP A 27 61.012 79.267 24.038 1.00 43.40 N
ATOM 199 CE2 TRP A 27 60.682 78.976 22.733 1.00 44.72 C
ATOM 200 CD2 TRP A 27 60.998 77.607 22.510 1.00 44.20 C
ATOM 201 CE3 TRP A 27 60.813 77.062 21.213 1.00 45.11 C
ATOM 202 CZ3 TRP A 27 60.279 77.859 20.223 1.00 42.23 C
ATOM 203 CH2 TRP A 27 59.979 79.252 20.477 1.00 42.61 C
ATOM 204 CZ2 TRP A 27 60.178 79.818 21.712 1.00 42.15 C
ATOM 205 C TRP A 27 63.394 74.118 25.374 1.00 40.73 C
ATOM 206 O TRP A 27 64.539 73.842 24.978 1.00 39.34 O
ATOM 207 N PRO A 28 62.613 73.216 25.976 1.00 39.46 N
ATOM 208 CA PRO A 28 63.034 71.804 26.003 1.00 39.36 C
ATOM 209 CB PRO A 28 62.068 71.109 27.035 1.00 39.21 C
ATOM 210 CG PRO A 28 60.876 71.969 27.075 1.00 41.77 C
ATOM 211 CD PRO A 28 61.381 73.458 26.735 1.00 40.31 C
ATOM 212 C PRO A 28 62.872 71.207 24.629 1.00 37.26 C
ATOM 213 O PRO A 28 62.116 71.741 23.834 1.00 35.55 O
ATOM 214 N VAL A 29 63.632 70.157 24.362 1.00 34.99 N
ATOM 215 CA VAL A 29 63.435 69.297 23.209 1.00 35.42 C
ATOM 216 CB VAL A 29 64.768 68.922 22.580 1.00 35.78 C
ATOM 217 CG1 VAL A 29 64.520 67.973 21.374 1.00 34.42 C
ATOM 218 CG2 VAL A 29 65.536 70.259 22.208 1.00 33.28 C
ATOM 219 C VAL A 29 62.838 67.991 23.623 1.00 36.98 C
ATOM 220 O VAL A 29 63.396 67.307 24.511 1.00 35.74 O
ATOM 221 N VAL A 30 61.694 67.655 23.010 1.00 38.23 N
ATOM 222 CA VAL A 30 61.008 66.384 23.262 1.00 38.14 C
ATOM 223 CB VAL A 30 59.432 66.469 23.212 1.00 38.30 C
ATOM 224 CG1 VAL A 30 58.909 65.081 23.589 1.00 37.69 C
ATOM 225 CG2 VAL A 30 58.798 67.603 24.180 1.00 36.49 C
ATOM 226 C VAL A 30 61.403 65.396 22.179 1.00 39.08 C
ATOM 227 O VAL A 30 61.134 65.666 21.014 1.00 40.64 O
ATOM 228 N ALA A 31 62.025 64.272 22.526 1.00 38.69 N
ATOM 229 CA ALA A 31 62.491 63.286 21.530 1.00 37.75 C
ATOM 230 CB ALA A 31 63.453 62.312 22.191 1.00 38.17 C
ATOM 231 C ALA A 31 61.364 62.463 20.900 1.00 39.27 C
ATOM 232 O ALA A 31 60.598 61.739 21.613 1.00 39.82 O
ATOM 233 N LEU A 32 61.222 62.545 19.577 1.00 39.94 N
ATOM 234 CA LEU A 32 60.174 61.774 18.914 1.00 38.37 C
ATOM 235 CB LEU A 32 59.733 62.488 17.704 1.00 36.91 C
ATOM 236 CG LEU A 32 59.307 63.889 18.072 1.00 39.30 C
ATOM 237 CD1 LEU A 32 58.977 64.596 16.747 1.00 35.44 C
ATOM 238 CD2 LEU A 32 57.987 63.810 18.960 1.00 38.06 C
ATOM 239 C LEU A 32 60.777 60.436 18.531 1.00 38.71 C
ATOM 240 O LEU A 32 61.002 60.142 17.353 1.00 37.41 O
ATOM 241 N ASP A 33 61.068 59.645 19.551 1.00 38.35 N
ATOM 242 CA ASP A 33 61.759 58.392 19.391 1.00 40.03 C
ATOM 243 CB ASP A 33 63.328 58.635 19.491 1.00 38.61 C
ATOM 244 CG ASP A 33 64.118 57.434 19.009 1.00 40.14 C
ATOM 245 OD1 ASP A 33 64.078 56.358 19.623 1.00 39.62 O
ATOM 246 OD2 ASP A 33 64.800 57.528 17.992 1.00 47.94 O
ATOM 247 C ASP A 33 61.255 57.416 20.458 1.00 39.28 C
ATOM 248 O ASP A 33 61.317 57.750 21.631 1.00 40.43 O
ATOM 249 N ARG A 34 60.824 56.205 20.071 1.00 39.68 N
ATOM 250 CA ARG A 34 60.420 55.187 21.022 1.00 38.70 C
ATOM 251 CB ARG A 34 59.466 54.121 20.367 1.00 39.76 C
ATOM 252 CG ARG A 34 58.391 54.699 19.461 1.00 37.63 C
ATOM 253 CD ARG A 34 57.528 53.675 18.783 1.00 37.86 C
ATOM 254 NE ARG A 34 58.392 52.858 17.960 1.00 34.72 N
ATOM 255 CZ ARG A 34 58.479 51.542 18.042 1.00 38.71 C
ATOM 256 NH1 ARG A 34 57.671 50.871 18.883 1.00 32.78 N
ATOM 257 NH2 ARG A 34 59.310 50.893 17.203 1.00 38.30 N
ATOM 258 C ARG A 34 61.614 54.465 21.592 1.00 38.32 C
ATOM 259 O ARG A 34 61.625 54.177 22.761 1.00 39.45 O
ATOM 260 N VAL A 35 62.598 54.118 20.765 1.00 38.46 N
ATOM 261 CA VAL A 35 63.725 53.280 21.196 1.00 36.03 C
ATOM 262 CB VAL A 35 64.475 52.728 19.957 1.00 35.91 C
ATOM 263 CG1 VAL A 35 65.842 52.144 20.267 1.00 33.43 C
ATOM 264 CG2 VAL A 35 63.576 51.590 19.275 1.00 32.28 C
ATOM 265 C VAL A 35 64.556 54.024 22.261 1.00 37.95 C
ATOM 266 O VAL A 35 65.010 53.425 23.282 1.00 37.11 O
ATOM 267 N GLN A 36 64.676 55.350 22.095 1.00 37.74 N
ATOM 268 CA GLN A 36 65.451 56.120 23.058 1.00 37.29 C
ATOM 269 CB GLN A 36 65.718 57.525 22.556 1.00 37.57 C
ATOM 270 CG GLN A 36 66.649 57.582 21.339 1.00 31.66 C
ATOM 271 CD GLN A 36 66.947 59.045 20.896 1.00 36.85 C
ATOM 272 OE1 GLN A 36 66.609 59.957 21.561 1.00 37.38 O
ATOM 273 NE2 GLN A 36 67.617 59.216 19.799 1.00 32.95 N
ATOM 274 C GLN A 36 64.785 56.201 24.416 1.00 40.31 C
ATOM 275 O GLN A 36 65.425 56.757 25.366 1.00 39.80 O
ATOM 276 N CYS A 37 63.549 55.638 24.562 1.00 37.63 N
ATOM 277 CA CYS A 37 63.003 55.567 25.923 1.00 37.70 C
ATOM 278 CB CYS A 37 61.468 55.482 25.921 1.00 37.21 C
ATOM 279 SG CYS A 37 60.664 56.803 24.987 1.00 38.11 S
ATOM 280 C CYS A 37 63.565 54.398 26.745 1.00 37.34 C
ATOM 281 O CYS A 37 63.169 54.233 27.880 1.00 38.68 O
ATOM 282 N CYS A 38 64.497 53.601 26.216 1.00 37.58 N
ATOM 283 CA CYS A 38 65.194 52.573 27.020 1.00 36.29 C
ATOM 284 CB CYS A 38 65.243 51.237 26.316 1.00 35.49 C
ATOM 285 SG CYS A 38 63.642 50.418 26.025 1.00 38.22 S
ATOM 286 C CYS A 38 66.605 53.030 27.264 1.00 36.36 C
ATOM 287 O CYS A 38 67.479 52.738 26.422 1.00 36.70 O
ATOM 288 N PRO A 39 66.873 53.669 28.438 1.00 36.87 N
ATOM 289 CA PRO A 39 68.231 54.200 28.804 1.00 36.20 C
ATOM 290 CB PRO A 39 68.006 54.800 30.174 1.00 37.13 C
ATOM 291 CG PRO A 39 66.774 53.953 30.796 1.00 37.36 C
ATOM 292 CD PRO A 39 65.906 53.790 29.564 1.00 36.55 C
ATOM 293 C PRO A 39 69.294 53.086 28.880 1.00 37.25 C
ATOM 294 O PRO A 39 70.464 53.357 28.684 1.00 39.69 O
ATOM 295 N GLN A 40 68.932 51.812 29.005 1.00 37.20 N
ATOM 296 CA GLN A 40 69.965 50.779 29.010 1.00 36.08 C
ATOM 297 CB GLN A 40 69.358 49.444 29.395 1.00 35.62 C
ATOM 298 CG GLN A 40 68.785 49.408 30.793 1.00 33.53 C
ATOM 299 CD GLN A 40 67.877 48.215 30.981 1.00 37.11 C
ATOM 300 OE1 GLN A 40 66.906 48.003 30.221 1.00 38.08 O
ATOM 301 NE2 GLN A 40 68.228 47.381 31.915 1.00 35.58 N
ATOM 302 C GLN A 40 70.660 50.694 27.632 1.00 37.47 C
ATOM 303 O GLN A 40 71.774 50.081 27.526 1.00 38.15 O
ATOM 304 N ILE A 41 70.022 51.283 26.590 1.00 36.83 N
ATOM 305 CA ILE A 41 70.641 51.438 25.217 1.00 36.97 C
ATOM 306 CB ILE A 41 69.945 50.609 24.098 1.00 36.81 C
ATOM 307 CG1 ILE A 41 68.443 50.913 24.030 1.00 39.21 C
ATOM 308 CD1 ILE A 41 67.708 50.228 22.830 1.00 35.03 C
ATOM 309 CG2 ILE A 41 70.113 49.043 24.287 1.00 34.43 C
ATOM 310 C ILE A 41 70.719 52.895 24.789 1.00 37.86 C
ATOM 311 O ILE A 41 70.658 53.230 23.594 1.00 40.54 O
ATOM 312 N ALA A 42 70.824 53.777 25.761 1.00 38.11 N
ATOM 313 CA ALA A 42 71.073 55.185 25.489 1.00 39.79 C
ATOM 314 CB ALA A 42 71.462 55.975 26.828 1.00 39.95 C
ATOM 315 C ALA A 42 72.067 55.456 24.349 1.00 40.52 C
ATOM 316 O ALA A 42 71.741 56.218 23.433 1.00 42.23 O
ATOM 317 N THR A 43 73.251 54.850 24.364 1.00 40.79 N
ATOM 318 CA THR A 43 74.257 55.195 23.335 1.00 41.58 C
ATOM 319 CB THR A 43 75.668 54.666 23.647 1.00 43.03 C
ATOM 320 OG1 THR A 43 76.000 54.982 25.015 1.00 44.48 O
ATOM 321 CG2 THR A 43 76.764 55.326 22.718 1.00 40.84 C
ATOM 322 C THR A 43 73.821 54.725 21.970 1.00 41.91 C
ATOM 323 O THR A 43 73.719 55.537 21.066 1.00 41.82 O
ATOM 324 N GLY A 44 73.515 53.422 21.829 1.00 41.99 N
ATOM 325 CA GLY A 44 73.226 52.860 20.545 1.00 40.68 C
ATOM 326 C GLY A 44 71.902 53.414 19.999 1.00 41.26 C
ATOM 327 O GLY A 44 71.728 53.483 18.799 1.00 41.52 O
ATOM 328 N SER A 45 70.935 53.744 20.835 1.00 38.63 N
ATOM 329 CA SER A 45 69.703 54.321 20.283 1.00 38.76 C
ATOM 330 CB SER A 45 68.528 54.227 21.335 1.00 38.59 C
ATOM 331 OG SER A 45 68.762 55.095 22.389 1.00 37.48 O
ATOM 332 C SER A 45 69.850 55.787 19.773 1.00 38.24 C
ATOM 333 O SER A 45 68.899 56.328 19.197 1.00 39.51 O
ATOM 334 N GLY A 46 70.986 56.448 20.005 1.00 38.25 N
ATOM 335 CA GLY A 46 71.136 57.821 19.574 1.00 38.45 C
ATOM 336 C GLY A 46 70.928 58.985 20.562 1.00 40.07 C
ATOM 337 O GLY A 46 70.898 60.152 20.145 1.00 37.49 O
ATOM 338 N ARG A 47 70.803 58.686 21.855 1.00 40.21 N
ATOM 339 CA ARG A 47 70.698 59.672 22.892 1.00 40.18 C
ATOM 340 CB ARG A 47 70.530 58.966 24.249 1.00 41.70 C
ATOM 341 CG ARG A 47 69.141 58.962 24.683 1.00 39.73 C
ATOM 342 CD ARG A 47 68.539 57.842 25.442 1.00 47.81 C
ATOM 343 NE ARG A 47 68.432 58.320 26.756 1.00 47.29 N
ATOM 344 CZ ARG A 47 67.524 58.131 27.743 1.00 44.51 C
ATOM 345 NH1 ARG A 47 66.406 57.446 27.727 1.00 35.87 N
ATOM 346 NH2 ARG A 47 67.824 58.774 28.849 1.00 35.82 N
ATOM 347 C ARG A 47 71.918 60.553 22.869 1.00 42.58 C
ATOM 348 O ARG A 47 73.048 60.017 22.855 1.00 43.86 O
ATOM 349 N PRO A 48 71.746 61.910 22.849 1.00 43.10 N
ATOM 350 CA PRO A 48 72.947 62.731 22.890 1.00 43.56 C
ATOM 351 CB PRO A 48 72.398 64.162 22.762 1.00 43.26 C
ATOM 352 CG PRO A 48 70.981 64.086 23.223 1.00 43.16 C
ATOM 353 CD PRO A 48 70.514 62.739 22.739 1.00 43.08 C
ATOM 354 C PRO A 48 73.715 62.569 24.232 1.00 45.52 C
ATOM 355 O PRO A 48 73.094 62.253 25.253 1.00 45.64 O
ATOM 356 N LEU A 49 75.024 62.820 24.247 1.00 46.71 N
ATOM 357 CA LEU A 49 75.779 62.793 25.508 1.00 48.51 C
ATOM 358 CB LEU A 49 77.306 62.809 25.279 1.00 48.65 C
ATOM 359 CG LEU A 49 77.901 61.462 24.741 1.00 51.53 C
ATOM 360 CD1 LEU A 49 79.397 61.425 24.778 1.00 49.10 C
ATOM 361 CD2 LEU A 49 77.375 60.224 25.471 1.00 55.97 C
ATOM 362 C LEU A 49 75.366 63.987 26.338 1.00 49.24 C
ATOM 363 O LEU A 49 74.996 65.014 25.774 1.00 48.29 O
ATOM 364 N GLU A 50 75.446 63.828 27.657 1.00 50.81 N
ATOM 365 CA GLU A 50 75.127 64.877 28.624 1.00 51.98 C
ATOM 366 CB GLU A 50 75.239 64.379 30.101 1.00 52.14 C
ATOM 367 CG GLU A 50 74.772 65.453 31.202 1.00 55.59 C
ATOM 368 CD GLU A 50 73.194 65.724 31.251 1.00 63.74 C
ATOM 369 OE1 GLU A 50 72.781 66.927 31.493 1.00 63.51 O
ATOM 370 OE2 GLU A 50 72.390 64.743 31.055 1.00 64.55 O
ATOM 371 C GLU A 50 75.990 66.125 28.348 1.00 51.71 C
ATOM 372 O GLU A 50 75.471 67.234 28.378 1.00 50.64 O
ATOM 373 N SER A 51 77.249 65.884 27.963 1.00 52.09 N
ATOM 374 CA SER A 51 78.227 66.927 27.570 1.00 53.76 C
ATOM 375 CB SER A 51 79.648 66.394 27.465 1.00 52.94 C
ATOM 376 OG SER A 51 79.667 65.176 26.765 1.00 53.80 O
ATOM 377 C SER A 51 77.818 67.645 26.294 1.00 53.77 C
ATOM 378 O SER A 51 77.950 68.855 26.232 1.00 54.48 O
ATOM 379 N GLU A 52 77.222 66.911 25.352 1.00 52.58 N
ATOM 380 CA GLU A 52 76.688 67.474 24.120 1.00 52.23 C
ATOM 381 CB GLU A 52 76.352 66.366 23.132 1.00 52.19 C
ATOM 382 CG GLU A 52 77.529 65.848 22.427 1.00 57.85 C
ATOM 383 CD GLU A 52 77.137 64.885 21.308 1.00 61.16 C
ATOM 384 OE1 GLU A 52 76.475 63.853 21.592 1.00 56.66 O
ATOM 385 OE2 GLU A 52 77.509 65.198 20.138 1.00 64.91 O
ATOM 386 C GLU A 52 75.411 68.293 24.293 1.00 50.92 C
ATOM 387 O GLU A 52 75.086 69.111 23.427 1.00 50.66 O
ATOM 388 N LEU A 53 74.666 68.038 25.365 1.00 49.02 N
ATOM 389 CA LEU A 53 73.405 68.701 25.574 1.00 47.42 C
ATOM 390 CB LEU A 53 72.641 68.017 26.721 1.00 46.40 C
ATOM 391 CG LEU A 53 71.817 66.764 26.417 1.00 43.38 C
ATOM 392 CD1 LEU A 53 70.894 66.293 27.604 1.00 39.65 C
ATOM 393 CD2 LEU A 53 70.979 67.072 25.243 1.00 35.60 C
ATOM 394 C LEU A 53 73.594 70.207 25.833 1.00 48.14 C
ATOM 395 O LEU A 53 72.636 70.972 25.748 1.00 47.50 O
ATOM 396 N GLN A 54 74.814 70.623 26.170 1.00 49.37 N
ATOM 397 CA GLN A 54 75.101 72.043 26.485 1.00 52.15 C
ATOM 398 CB GLN A 54 75.118 72.917 25.215 1.00 52.32 C
ATOM 399 CG GLN A 54 76.376 72.703 24.348 1.00 58.14 C
ATOM 400 CD GLN A 54 77.599 72.660 25.273 1.00 64.64 C
ATOM 401 OE1 GLN A 54 78.076 73.728 25.734 1.00 67.89 O
ATOM 402 NE2 GLN A 54 78.062 71.436 25.618 1.00 62.84 N
ATOM 403 C GLN A 54 74.101 72.661 27.424 1.00 52.64 C
ATOM 404 O GLN A 54 73.644 73.783 27.173 1.00 52.81 O
ATOM 405 N SER A 55 73.728 71.934 28.478 1.00 53.03 N
ATOM 406 CA SER A 55 72.801 72.470 29.493 1.00 52.94 C
ATOM 407 CB SER A 55 73.280 73.837 30.015 1.00 53.21 C
ATOM 408 OG SER A 55 74.404 73.686 30.843 1.00 55.95 O
ATOM 409 C SER A 55 71.360 72.651 29.018 1.00 51.27 C
ATOM 410 O SER A 55 70.630 73.353 29.652 1.00 51.63 O
ATOM 411 N THR A 56 70.949 72.053 27.912 1.00 49.59 N
ATOM 412 CA THR A 56 69.539 72.162 27.508 1.00 46.59 C
ATOM 413 CB THR A 56 69.383 72.246 25.979 1.00 45.98 C
ATOM 414 OG1 THR A 56 69.823 71.021 25.396 1.00 41.31 O
ATOM 415 CG2 THR A 56 70.193 73.434 25.399 1.00 43.12 C
ATOM 416 C THR A 56 68.781 70.954 28.053 1.00 45.57 C
ATOM 417 O THR A 56 69.382 70.005 28.432 1.00 44.18 O
ATOM 418 N ARG A 57 67.454 70.978 28.045 1.00 45.51 N
ATOM 419 CA ARG A 57 66.657 69.843 28.528 1.00 44.80 C
ATOM 420 CB ARG A 57 65.383 70.314 29.201 1.00 45.17 C
ATOM 421 CG ARG A 57 65.565 71.183 30.432 1.00 50.43 C
ATOM 422 CD ARG A 57 66.202 70.351 31.594 1.00 61.18 C
ATOM 423 NE ARG A 57 65.747 68.924 31.629 1.00 64.00 N
ATOM 424 CZ ARG A 57 64.612 68.459 32.185 1.00 60.07 C
ATOM 425 NH1 ARG A 57 63.757 69.257 32.780 1.00 54.40 N
ATOM 426 NH2 ARG A 57 64.344 67.170 32.109 1.00 62.18 N
ATOM 427 C ARG A 57 66.266 68.980 27.357 1.00 43.80 C
ATOM 428 O ARG A 57 65.784 69.483 26.366 1.00 43.96 O
ATOM 429 N ARG A 58 66.404 67.670 27.484 1.00 42.52 N
ATOM 430 CA ARG A 58 65.843 66.778 26.482 1.00 40.00 C
ATOM 431 CB ARG A 58 66.932 66.036 25.772 1.00 38.18 C
ATOM 432 CG ARG A 58 66.389 65.195 24.602 1.00 37.46 C
ATOM 433 CD ARG A 58 67.606 64.588 23.946 1.00 40.51 C
ATOM 434 NE ARG A 58 67.332 63.542 23.004 1.00 45.06 N
ATOM 435 CZ ARG A 58 67.038 63.700 21.708 1.00 43.99 C
ATOM 436 NH1 ARG A 58 66.980 64.927 21.201 1.00 35.21 N
ATOM 437 NH2 ARG A 58 66.795 62.601 20.946 1.00 35.97 N
ATOM 438 C ARG A 58 64.920 65.795 27.166 1.00 39.96 C
ATOM 439 O ARG A 58 65.345 65.065 28.070 1.00 42.45 O
ATOM 440 N ILE A 59 63.691 65.752 26.710 1.00 39.14 N
ATOM 441 CA ILE A 59 62.561 65.021 27.359 1.00 39.04 C
ATOM 442 CB ILE A 59 61.248 65.872 27.295 1.00 37.03 C
ATOM 443 CG1 ILE A 59 61.487 67.245 27.885 1.00 36.24 C
ATOM 444 CD1 ILE A 59 62.273 67.268 29.269 1.00 37.82 C
ATOM 445 CG2 ILE A 59 60.025 65.119 27.913 1.00 40.72 C
ATOM 446 C ILE A 59 62.315 63.708 26.601 1.00 38.66 C
ATOM 447 O ILE A 59 62.115 63.742 25.407 1.00 37.77 O
ATOM 448 N TYR A 60 62.303 62.562 27.300 1.00 39.65 N
ATOM 449 CA TYR A 60 61.940 61.274 26.680 1.00 36.99 C
ATOM 450 CB TYR A 60 62.890 60.162 27.151 1.00 36.05 C
ATOM 451 CG TYR A 60 64.291 60.473 26.680 1.00 35.18 C
ATOM 452 CD1 TYR A 60 65.258 61.095 27.536 1.00 32.20 C
ATOM 453 CE1 TYR A 60 66.506 61.400 27.038 1.00 37.55 C
ATOM 454 CZ TYR A 60 66.780 61.124 25.654 1.00 34.90 C
ATOM 455 OH TYR A 60 67.965 61.391 24.989 1.00 37.58 O
ATOM 456 CE2 TYR A 60 65.857 60.564 24.865 1.00 35.55 C
ATOM 457 CD2 TYR A 60 64.617 60.260 25.343 1.00 34.71 C
ATOM 458 C TYR A 60 60.516 60.939 27.017 1.00 38.42 C
ATOM 459 O TYR A 60 60.004 61.378 28.067 1.00 38.10 O
ATOM 460 N LEU A 61 59.842 60.207 26.138 1.00 38.86 N
ATOM 461 CA LEU A 61 58.360 59.920 26.383 1.00 40.48 C
ATOM 462 CB LEU A 61 57.615 59.515 25.059 1.00 37.87 C
ATOM 463 CG LEU A 61 57.663 60.640 24.047 1.00 40.49 C
ATOM 464 CD1 LEU A 61 57.117 60.173 22.694 1.00 44.94 C
ATOM 465 CD2 LEU A 61 57.007 61.999 24.559 1.00 34.30 C
ATOM 466 C LEU A 61 58.119 58.886 27.511 1.00 40.17 C
ATOM 467 O LEU A 61 57.084 58.864 28.099 1.00 41.19 O
ATOM 468 N ASP A 62 59.113 58.063 27.844 1.00 40.06 N
ATOM 469 CA ASP A 62 58.991 57.104 28.946 1.00 38.22 C
ATOM 470 CB ASP A 62 58.419 55.771 28.404 1.00 38.73 C
ATOM 471 CG ASP A 62 57.794 54.917 29.504 1.00 41.82 C
ATOM 472 OD1 ASP A 62 57.181 53.857 29.223 1.00 49.42 O
ATOM 473 OD2 ASP A 62 57.972 55.261 30.686 1.00 42.56 O
ATOM 474 C ASP A 62 60.394 56.801 29.396 1.00 37.95 C
ATOM 475 O ASP A 62 61.357 57.084 28.676 1.00 39.72 O
ATOM 476 N SER A 63 60.566 56.183 30.552 1.00 36.33 N
ATOM 477 CA SER A 63 61.850 55.647 30.883 1.00 37.96 C
ATOM 478 CB SER A 63 62.499 56.440 31.994 1.00 36.86 C
ATOM 479 OG SER A 63 63.576 55.706 32.546 1.00 41.44 O
ATOM 480 C SER A 63 61.691 54.191 31.258 1.00 38.72 C
ATOM 481 O SER A 63 61.126 53.918 32.309 1.00 38.29 O
ATOM 482 N ARG A 64 62.138 53.246 30.404 1.00 39.48 N
ATOM 483 CA ARG A 64 61.743 51.851 30.669 1.00 40.07 C
ATOM 484 CB ARG A 64 60.525 51.528 29.816 1.00 41.34 C
ATOM 485 CG ARG A 64 60.674 52.004 28.425 1.00 42.02 C
ATOM 486 CD ARG A 64 59.353 51.845 27.579 1.00 42.88 C
ATOM 487 NE ARG A 64 58.813 50.490 27.391 1.00 42.35 N
ATOM 488 CZ ARG A 64 57.504 50.215 27.624 1.00 49.54 C
ATOM 489 NH1 ARG A 64 56.666 51.195 28.093 1.00 42.75 N
ATOM 490 NH2 ARG A 64 57.042 48.967 27.475 1.00 45.57 N
ATOM 491 C ARG A 64 62.776 50.779 30.433 1.00 39.23 C
ATOM 492 O ARG A 64 63.679 50.935 29.617 1.00 38.06 O
ATOM 493 N PRO A 65 62.626 49.665 31.152 1.00 38.83 N
ATOM 494 CA PRO A 65 63.442 48.474 30.957 1.00 38.93 C
ATOM 495 CB PRO A 65 62.861 47.454 31.981 1.00 37.65 C
ATOM 496 CG PRO A 65 62.211 48.299 33.048 1.00 37.51 C
ATOM 497 CD PRO A 65 61.622 49.469 32.229 1.00 40.83 C
ATOM 498 C PRO A 65 63.219 47.977 29.524 1.00 39.34 C
ATOM 499 O PRO A 65 62.075 47.835 29.075 1.00 39.35 O
ATOM 500 N LEU A 66 64.321 47.704 28.857 1.00 39.45 N
ATOM 501 CA LEU A 66 64.361 47.149 27.541 1.00 41.38 C
ATOM 502 CB LEU A 66 65.835 46.966 27.193 1.00 41.88 C
ATOM 503 CG LEU A 66 66.495 46.551 25.895 1.00 43.24 C
ATOM 504 CD1 LEU A 66 66.017 45.151 25.590 1.00 41.21 C
ATOM 505 CD2 LEU A 66 66.270 47.497 24.751 1.00 41.62 C
ATOM 506 C LEU A 66 63.568 45.826 27.497 1.00 41.82 C
ATOM 507 O LEU A 66 62.873 45.552 26.516 1.00 40.72 O
ATOM 508 N THR A 67 63.567 45.068 28.581 1.00 42.37 N
ATOM 509 CA THR A 67 62.846 43.781 28.545 1.00 44.11 C
ATOM 510 CB THR A 67 63.331 42.788 29.588 1.00 43.08 C
ATOM 511 OG1 THR A 67 63.006 43.294 30.859 1.00 44.52 O
ATOM 512 CG2 THR A 67 64.836 42.573 29.535 1.00 44.98 C
ATOM 513 C THR A 67 61.326 43.955 28.686 1.00 45.14 C
ATOM 514 O THR A 67 60.597 43.000 28.506 1.00 45.57 O
ATOM 515 N GLU A 68 60.845 45.158 28.985 1.00 45.24 N
ATOM 516 CA GLU A 68 59.401 45.409 28.933 1.00 46.28 C
ATOM 517 CB GLU A 68 59.011 46.636 29.796 1.00 47.81 C
ATOM 518 CG GLU A 68 59.300 46.546 31.286 1.00 53.87 C
ATOM 519 CD GLU A 68 58.862 45.217 31.890 1.00 65.72 C
ATOM 520 OE1 GLU A 68 57.641 44.859 31.775 1.00 67.85 O
ATOM 521 OE2 GLU A 68 59.749 44.527 32.479 1.00 68.96 O
ATOM 522 C GLU A 68 59.000 45.717 27.484 1.00 44.26 C
ATOM 523 O GLU A 68 57.905 46.142 27.234 1.00 43.58 O
ATOM 524 N GLY A 69 59.896 45.512 26.534 1.00 42.78 N
ATOM 525 CA GLY A 69 59.638 45.917 25.150 1.00 42.78 C
ATOM 526 C GLY A 69 59.739 47.433 24.850 1.00 42.46 C
ATOM 527 O GLY A 69 59.436 48.293 25.678 1.00 44.34 O
ATOM 528 N ILE A 70 60.073 47.756 23.625 1.00 42.66 N
ATOM 529 CA ILE A 70 60.051 49.142 23.114 1.00 40.28 C
ATOM 530 CB ILE A 70 60.525 49.145 21.697 1.00 39.99 C
ATOM 531 CG1 ILE A 70 61.847 48.335 21.574 1.00 36.10 C
ATOM 532 CD1 ILE A 70 63.063 48.999 22.238 1.00 41.15 C
ATOM 533 CG2 ILE A 70 60.538 50.571 21.159 1.00 37.75 C
ATOM 534 C ILE A 70 58.638 49.719 23.176 1.00 40.83 C
ATOM 535 O ILE A 70 57.669 49.031 22.848 1.00 40.39 O
ATOM 536 N LEU A 71 58.527 50.958 23.667 1.00 40.42 N
ATOM 537 CA LEU A 71 57.253 51.627 23.890 1.00 38.52 C
ATOM 538 CB LEU A 71 57.578 53.055 24.268 1.00 37.18 C
ATOM 539 CG LEU A 71 56.459 54.068 24.520 1.00 42.53 C
ATOM 540 CD1 LEU A 71 55.524 53.550 25.695 1.00 41.77 C
ATOM 541 CD2 LEU A 71 56.986 55.517 24.779 1.00 36.03 C
ATOM 542 C LEU A 71 56.463 51.550 22.597 1.00 39.28 C
ATOM 543 O LEU A 71 56.984 51.829 21.549 1.00 38.88 O
ATOM 544 N ASP A 72 55.187 51.171 22.620 1.00 40.54 N
ATOM 545 CA ASP A 72 54.486 51.195 21.358 1.00 39.83 C
ATOM 546 CB ASP A 72 53.284 50.222 21.360 1.00 41.39 C
ATOM 547 CG ASP A 72 52.297 50.594 22.383 1.00 45.59 C
ATOM 548 OD1 ASP A 72 52.562 50.249 23.532 1.00 54.88 O
ATOM 549 OD2 ASP A 72 51.326 51.303 22.112 1.00 46.76 O
ATOM 550 C ASP A 72 54.110 52.621 20.939 1.00 40.09 C
ATOM 551 O ASP A 72 54.065 53.517 21.749 1.00 40.72 O
ATOM 552 N ALA A 73 53.825 52.810 19.648 1.00 40.71 N
ATOM 553 CA ALA A 73 53.613 54.057 19.006 1.00 40.62 C
ATOM 554 CB ALA A 73 53.405 53.794 17.455 1.00 42.64 C
ATOM 555 C ALA A 73 52.413 54.778 19.571 1.00 41.58 C
ATOM 556 O ALA A 73 52.486 55.983 19.744 1.00 43.10 O
ATOM 557 N GLU A 74 51.317 54.065 19.836 1.00 41.72 N
ATOM 558 CA GLU A 74 50.053 54.676 20.274 1.00 42.92 C
ATOM 559 CB GLU A 74 48.839 53.724 20.273 1.00 43.77 C
ATOM 560 CG GLU A 74 49.072 52.285 19.742 1.00 51.93 C
ATOM 561 CD GLU A 74 49.442 52.179 18.255 1.00 58.10 C
ATOM 562 OE1 GLU A 74 50.636 51.831 17.999 1.00 57.58 O
ATOM 563 OE2 GLU A 74 48.538 52.409 17.378 1.00 59.70 O
ATOM 564 C GLU A 74 50.225 55.109 21.665 1.00 41.87 C
ATOM 565 O GLU A 74 49.721 56.175 22.005 1.00 42.53 O
ATOM 566 N SER A 75 50.904 54.289 22.496 1.00 40.85 N
ATOM 567 CA SER A 75 51.346 54.796 23.837 1.00 39.20 C
ATOM 568 CB SER A 75 51.879 53.720 24.754 1.00 39.07 C
ATOM 569 OG SER A 75 51.041 52.550 24.616 1.00 43.52 O
ATOM 570 C SER A 75 52.305 55.973 23.806 1.00 37.37 C
ATOM 571 O SER A 75 52.115 56.917 24.518 1.00 37.59 O
ATOM 572 N ALA A 76 53.309 55.959 22.975 1.00 36.33 N
ATOM 573 CA ALA A 76 54.194 57.071 22.922 1.00 37.14 C
ATOM 574 CB ALA A 76 55.349 56.763 22.001 1.00 35.91 C
ATOM 575 C ALA A 76 53.433 58.307 22.412 1.00 38.41 C
ATOM 576 O ALA A 76 53.789 59.435 22.691 1.00 39.55 O
ATOM 577 N HIS A 77 52.407 58.107 21.604 1.00 40.75 N
ATOM 578 CA HIS A 77 51.753 59.260 21.058 1.00 40.47 C
ATOM 579 CB HIS A 77 50.875 58.914 19.843 1.00 39.96 C
ATOM 580 CG HIS A 77 50.346 60.151 19.213 1.00 38.79 C
ATOM 581 ND1 HIS A 77 49.092 60.649 19.492 1.00 43.05 N
ATOM 582 CE1 HIS A 77 48.951 61.826 18.901 1.00 44.26 C
ATOM 583 NE2 HIS A 77 50.077 62.119 18.278 1.00 41.71 N
ATOM 584 CD2 HIS A 77 50.975 61.100 18.491 1.00 38.86 C
ATOM 585 C HIS A 77 50.947 60.007 22.152 1.00 41.53 C
ATOM 586 O HIS A 77 50.976 61.248 22.280 1.00 41.93 O
ATOM 587 N ARG A 78 50.223 59.214 22.907 1.00 40.58 N
ATOM 588 CA ARG A 78 49.478 59.658 24.060 1.00 43.34 C
ATOM 589 CB ARG A 78 48.730 58.387 24.559 1.00 42.02 C
ATOM 590 CG ARG A 78 48.011 58.454 25.861 1.00 47.45 C
ATOM 591 CD ARG A 78 46.692 57.514 25.820 1.00 46.75 C
ATOM 592 NE ARG A 78 46.759 56.305 24.945 1.00 50.72 N
ATOM 593 CZ ARG A 78 47.493 55.188 25.200 1.00 52.50 C
ATOM 594 NH1 ARG A 78 48.303 55.123 26.290 1.00 49.80 N
ATOM 595 NH2 ARG A 78 47.466 54.130 24.358 1.00 45.03 N
ATOM 596 C ARG A 78 50.401 60.389 25.116 1.00 41.44 C
ATOM 597 O ARG A 78 50.061 61.508 25.621 1.00 41.76 O
ATOM 598 N ARG A 79 51.544 59.784 25.420 1.00 39.87 N
ATOM 599 CA ARG A 79 52.616 60.419 26.217 1.00 40.14 C
ATOM 600 CB ARG A 79 53.839 59.496 26.433 1.00 38.00 C
ATOM 601 CG ARG A 79 53.362 58.319 27.286 1.00 41.32 C
ATOM 602 CD ARG A 79 54.296 57.119 27.176 1.00 44.37 C
ATOM 603 NE ARG A 79 54.089 56.251 28.285 1.00 54.45 N
ATOM 604 CZ ARG A 79 54.423 56.515 29.562 1.00 55.31 C
ATOM 605 NH1 ARG A 79 55.029 57.657 29.961 1.00 52.70 N
ATOM 606 NH2 ARG A 79 54.094 55.595 30.455 1.00 54.02 N
ATOM 607 C ARG A 79 53.071 61.735 25.634 1.00 39.03 C
ATOM 608 O ARG A 79 53.298 62.647 26.365 1.00 39.79 O
ATOM 609 N LEU A 80 53.204 61.815 24.326 1.00 37.69 N
ATOM 610 CA LEU A 80 53.649 63.055 23.703 1.00 39.34 C
ATOM 611 CB LEU A 80 53.987 62.758 22.233 1.00 40.39 C
ATOM 612 CG LEU A 80 54.140 63.939 21.279 1.00 40.55 C
ATOM 613 CD1 LEU A 80 55.518 64.638 21.512 1.00 42.21 C
ATOM 614 CD2 LEU A 80 53.993 63.367 19.938 1.00 36.64 C
ATOM 615 C LEU A 80 52.597 64.195 23.798 1.00 38.77 C
ATOM 616 O LEU A 80 52.919 65.379 23.959 1.00 39.79 O
ATOM 617 N ILE A 81 51.337 63.840 23.669 1.00 37.98 N
ATOM 618 CA ILE A 81 50.295 64.811 23.726 1.00 37.87 C
ATOM 619 CB ILE A 81 48.957 64.116 23.516 1.00 38.21 C
ATOM 620 CG1 ILE A 81 48.773 63.833 22.002 1.00 40.62 C
ATOM 621 CD1 ILE A 81 47.314 63.309 21.643 1.00 39.16 C
ATOM 622 CG2 ILE A 81 47.759 64.872 24.262 1.00 36.58 C
ATOM 623 C ILE A 81 50.363 65.395 25.113 1.00 37.40 C
ATOM 624 O ILE A 81 50.195 66.620 25.283 1.00 37.54 O
ATOM 625 N PHE A 82 50.586 64.517 26.108 1.00 36.13 N
ATOM 626 CA PHE A 82 50.699 64.950 27.499 1.00 36.25 C
ATOM 627 CB PHE A 82 50.764 63.778 28.480 1.00 35.86 C
ATOM 628 CG PHE A 82 50.926 64.232 29.927 1.00 36.37 C
ATOM 629 CD1 PHE A 82 49.941 65.038 30.515 1.00 35.66 C
ATOM 630 CE1 PHE A 82 50.097 65.503 31.835 1.00 36.09 C
ATOM 631 CZ PHE A 82 51.249 65.130 32.592 1.00 33.00 C
ATOM 632 CE2 PHE A 82 52.248 64.331 32.034 1.00 28.88 C
ATOM 633 CD2 PHE A 82 52.090 63.898 30.682 1.00 31.11 C
ATOM 634 C PHE A 82 51.869 65.966 27.809 1.00 36.59 C
ATOM 635 O PHE A 82 51.646 67.016 28.484 1.00 36.06 O
ATOM 636 N GLU A 83 53.061 65.659 27.330 1.00 35.42 N
ATOM 637 CA GLU A 83 54.208 66.533 27.565 1.00 37.19 C
ATOM 638 CB GLU A 83 55.491 65.848 27.045 1.00 38.09 C
ATOM 639 CG GLU A 83 55.788 64.479 27.732 1.00 34.43 C
ATOM 640 CD GLU A 83 56.144 64.652 29.235 1.00 35.91 C
ATOM 641 OE1 GLU A 83 56.167 63.656 29.955 1.00 35.76 O
ATOM 642 OE2 GLU A 83 56.418 65.793 29.716 1.00 39.08 O
ATOM 643 C GLU A 83 54.014 67.856 26.893 1.00 38.64 C
ATOM 644 O GLU A 83 54.495 68.864 27.363 1.00 41.45 O
ATOM 645 N VAL A 84 53.279 67.891 25.791 1.00 38.10 N
ATOM 646 CA VAL A 84 53.038 69.144 25.137 1.00 37.73 C
ATOM 647 CB VAL A 84 52.744 68.963 23.579 1.00 38.38 C
ATOM 648 CG1 VAL A 84 52.273 70.287 22.889 1.00 34.19 C
ATOM 649 CG2 VAL A 84 53.960 68.381 22.801 1.00 33.06 C
ATOM 650 C VAL A 84 51.932 69.848 25.943 1.00 38.83 C
ATOM 651 O VAL A 84 52.100 70.969 26.439 1.00 38.98 O
ATOM 652 N ASP A 85 50.840 69.139 26.169 1.00 39.91 N
ATOM 653 CA ASP A 85 49.661 69.769 26.703 1.00 40.24 C
ATOM 654 CB ASP A 85 48.586 68.743 26.877 1.00 40.58 C
ATOM 655 CG ASP A 85 47.251 69.383 27.240 1.00 39.47 C
ATOM 656 OD1 ASP A 85 46.716 70.168 26.443 1.00 40.54 O
ATOM 657 OD2 ASP A 85 46.736 69.093 28.323 1.00 41.07 O
ATOM 658 C ASP A 85 49.930 70.445 28.062 1.00 41.71 C
ATOM 659 O ASP A 85 49.514 71.604 28.251 1.00 42.17 O
ATOM 660 N TRP A 86 50.586 69.742 29.025 1.00 41.36 N
ATOM 661 CA TRP A 86 50.865 70.373 30.343 1.00 39.90 C
ATOM 662 CB TRP A 86 51.301 69.359 31.401 1.00 37.15 C
ATOM 663 CG TRP A 86 52.820 68.911 31.381 1.00 34.52 C
ATOM 664 CD1 TRP A 86 53.326 67.775 30.811 1.00 34.11 C
ATOM 665 NE1 TRP A 86 54.721 67.710 30.989 1.00 35.38 N
ATOM 666 CE2 TRP A 86 55.140 68.820 31.673 1.00 33.84 C
ATOM 667 CD2 TRP A 86 53.977 69.643 31.898 1.00 30.75 C
ATOM 668 CE3 TRP A 86 54.130 70.851 32.614 1.00 33.63 C
ATOM 669 CZ3 TRP A 86 55.478 71.246 33.059 1.00 34.32 C
ATOM 670 CH2 TRP A 86 56.624 70.432 32.795 1.00 34.82 C
ATOM 671 CZ2 TRP A 86 56.478 69.200 32.105 1.00 37.97 C
ATOM 672 C TRP A 86 51.873 71.558 30.246 1.00 40.55 C
ATOM 673 O TRP A 86 51.936 72.379 31.154 1.00 40.28 O
ATOM 674 N ARG A 87 52.669 71.655 29.160 1.00 41.28 N
ATOM 675 CA ARG A 87 53.600 72.815 28.986 1.00 40.83 C
ATOM 676 CB ARG A 87 54.867 72.387 28.238 1.00 40.19 C
ATOM 677 CG ARG A 87 55.799 71.559 28.996 1.00 35.87 C
ATOM 678 CD ARG A 87 57.088 71.282 28.269 1.00 33.62 C
ATOM 679 NE ARG A 87 58.061 70.558 29.127 1.00 36.88 N
ATOM 680 CZ ARG A 87 58.053 69.219 29.291 1.00 35.27 C
ATOM 681 NH1 ARG A 87 57.132 68.466 28.688 1.00 36.44 N
ATOM 682 NH2 ARG A 87 58.929 68.594 30.059 1.00 33.50 N
ATOM 683 C ARG A 87 52.935 73.947 28.217 1.00 44.55 C
ATOM 684 O ARG A 87 53.605 74.910 27.866 1.00 46.37 O
ATOM 685 N LYS A 88 51.615 73.861 27.961 1.00 46.95 N
ATOM 686 CA LYS A 88 50.846 74.834 27.147 1.00 48.64 C
ATOM 687 CB LYS A 88 49.358 74.400 27.042 1.00 49.34 C
ATOM 688 CG LYS A 88 48.538 74.511 28.307 1.00 49.83 C
ATOM 689 CD LYS A 88 47.082 73.988 28.121 1.00 50.24 C
ATOM 690 CE LYS A 88 46.561 73.400 29.435 1.00 47.76 C
ATOM 691 NZ LYS A 88 45.095 73.017 29.358 1.00 50.18 N
ATOM 692 C LYS A 88 50.943 76.328 27.473 1.00 49.26 C
ATOM 693 O LYS A 88 50.787 77.163 26.559 1.00 49.16 O
ATOM 694 N SER A 89 51.174 76.682 28.742 1.00 50.20 N
ATOM 695 CA SER A 89 51.667 78.068 29.098 1.00 51.12 C
ATOM 696 CB SER A 89 52.137 78.123 30.553 1.00 51.50 C
ATOM 697 OG SER A 89 51.114 78.516 31.443 1.00 55.56 O
ATOM 698 C SER A 89 52.911 78.581 28.342 1.00 50.28 C
ATOM 699 O SER A 89 53.078 79.802 28.167 1.00 49.96 O
ATOM 700 N GLU A 90 53.827 77.660 28.017 1.00 48.44 N
ATOM 701 CA GLU A 90 55.184 78.039 27.558 1.00 47.62 C
ATOM 702 CB GLU A 90 56.156 76.866 27.701 1.00 46.67 C
ATOM 703 CG GLU A 90 56.195 76.412 29.168 1.00 42.50 C
ATOM 704 CD GLU A 90 57.148 75.243 29.422 1.00 47.72 C
ATOM 705 OE1 GLU A 90 56.979 74.475 30.423 1.00 47.03 O
ATOM 706 OE2 GLU A 90 58.101 75.079 28.634 1.00 50.29 O
ATOM 707 C GLU A 90 55.157 78.675 26.159 1.00 47.43 C
ATOM 708 O GLU A 90 54.172 78.512 25.447 1.00 47.61 O
ATOM 709 N GLU A 91 56.156 79.497 25.828 1.00 46.40 N
ATOM 710 CA GLU A 91 56.211 80.106 24.488 1.00 45.57 C
ATOM 711 CB GLU A 91 57.378 81.116 24.373 1.00 45.09 C
ATOM 712 CG GLU A 91 57.333 81.831 22.991 1.00 46.32 C
ATOM 713 CD GLU A 91 58.433 82.835 22.734 1.00 45.40 C
ATOM 714 OE1 GLU A 91 58.704 83.132 21.550 1.00 48.49 O
ATOM 715 OE2 GLU A 91 58.996 83.369 23.683 1.00 47.23 O
ATOM 716 C GLU A 91 56.365 79.032 23.334 1.00 44.72 C
ATOM 717 O GLU A 91 55.760 79.150 22.245 1.00 44.77 O
ATOM 718 N GLY A 92 57.203 78.032 23.555 1.00 42.40 N
ATOM 719 CA GLY A 92 57.407 77.087 22.509 1.00 43.33 C
ATOM 720 C GLY A 92 58.020 75.787 22.939 1.00 43.77 C
ATOM 721 O GLY A 92 58.474 75.677 24.042 1.00 42.62 O
ATOM 722 N LEU A 93 58.066 74.819 22.016 1.00 44.07 N
ATOM 723 CA LEU A 93 58.702 73.532 22.285 1.00 45.13 C
ATOM 724 CB LEU A 93 57.735 72.523 22.874 1.00 44.60 C
ATOM 725 CG LEU A 93 57.136 72.756 24.255 1.00 50.72 C
ATOM 726 CD1 LEU A 93 56.162 71.567 24.531 1.00 52.18 C
ATOM 727 CD2 LEU A 93 58.244 72.857 25.367 1.00 52.89 C
ATOM 728 C LEU A 93 59.310 72.968 21.010 1.00 43.91 C
ATOM 729 O LEU A 93 58.821 73.234 19.918 1.00 45.31 O
ATOM 730 N ILE A 94 60.367 72.206 21.162 1.00 42.12 N
ATOM 731 CA ILE A 94 60.992 71.596 20.037 1.00 42.22 C
ATOM 732 CB ILE A 94 62.519 71.782 20.065 1.00 41.58 C
ATOM 733 CG1 ILE A 94 62.860 73.285 20.120 1.00 38.48 C
ATOM 734 CD1 ILE A 94 63.998 73.676 21.073 1.00 30.56 C
ATOM 735 CG2 ILE A 94 63.159 71.112 18.852 1.00 40.74 C
ATOM 736 C ILE A 94 60.614 70.123 20.108 1.00 42.51 C
ATOM 737 O ILE A 94 60.822 69.519 21.176 1.00 41.69 O
ATOM 738 N LEU A 95 60.001 69.600 19.009 1.00 41.07 N
ATOM 739 CA LEU A 95 59.799 68.131 18.826 1.00 40.66 C
ATOM 740 CB LEU A 95 58.374 67.814 18.373 1.00 40.20 C
ATOM 741 CG LEU A 95 57.355 68.731 19.110 1.00 38.04 C
ATOM 742 CD1 LEU A 95 55.972 68.650 18.536 1.00 36.42 C
ATOM 743 CD2 LEU A 95 57.337 68.379 20.623 1.00 40.10 C
ATOM 744 C LEU A 95 60.766 67.659 17.758 1.00 41.53 C
ATOM 745 O LEU A 95 60.748 68.189 16.612 1.00 42.58 O
ATOM 746 N GLU A 96 61.653 66.750 18.136 1.00 39.89 N
ATOM 747 CA GLU A 96 62.619 66.297 17.224 1.00 41.01 C
ATOM 748 CB GLU A 96 63.915 66.953 17.665 1.00 40.73 C
ATOM 749 CG GLU A 96 65.055 66.589 16.862 1.00 42.97 C
ATOM 750 CD GLU A 96 65.780 65.352 17.336 1.00 42.37 C
ATOM 751 OE1 GLU A 96 66.288 65.313 18.451 1.00 47.25 O
ATOM 752 OE2 GLU A 96 65.891 64.409 16.573 1.00 41.73 O
ATOM 753 C GLU A 96 62.760 64.738 17.213 1.00 42.33 C
ATOM 754 O GLU A 96 62.980 64.162 18.271 1.00 43.84 O
ATOM 755 N GLY A 97 62.680 64.061 16.048 1.00 41.29 N
ATOM 756 CA GLY A 97 63.285 62.714 15.906 1.00 41.71 C
ATOM 757 C GLY A 97 62.842 62.011 14.616 1.00 41.70 C
ATOM 758 O GLY A 97 62.324 62.674 13.710 1.00 40.94 O
ATOM 759 N GLY A 98 63.004 60.681 14.554 1.00 41.69 N
ATOM 760 CA GLY A 98 62.702 59.897 13.337 1.00 42.15 C
ATOM 761 C GLY A 98 61.895 58.619 13.517 1.00 42.81 C
ATOM 762 O GLY A 98 62.062 57.637 12.746 1.00 44.30 O
ATOM 763 N SER A 99 61.047 58.560 14.536 1.00 40.66 N
ATOM 764 CA SER A 99 60.267 57.337 14.690 1.00 39.80 C
ATOM 765 CB SER A 99 59.583 57.305 16.033 1.00 38.25 C
ATOM 766 OG SER A 99 58.599 56.333 16.054 1.00 34.95 O
ATOM 767 C SER A 99 59.197 57.325 13.624 1.00 40.47 C
ATOM 768 O SER A 99 58.343 58.201 13.610 1.00 41.25 O
ATOM 769 N ILE A 100 59.252 56.367 12.709 1.00 41.04 N
ATOM 770 CA ILE A 100 58.322 56.339 11.622 1.00 40.40 C
ATOM 771 CB ILE A 100 58.626 55.115 10.645 1.00 41.97 C
ATOM 772 CG1 ILE A 100 59.903 55.355 9.813 1.00 38.40 C
ATOM 773 CD1 ILE A 100 60.492 54.080 9.382 1.00 33.89 C
ATOM 774 CG2 ILE A 100 57.390 54.700 9.766 1.00 39.05 C
ATOM 775 C ILE A 100 56.954 56.156 12.234 1.00 41.17 C
ATOM 776 O ILE A 100 56.055 56.952 11.959 1.00 42.47 O
ATOM 777 N SER A 101 56.801 55.145 13.090 1.00 40.31 N
ATOM 778 CA SER A 101 55.481 54.823 13.596 1.00 40.95 C
ATOM 779 CB SER A 101 55.460 53.456 14.312 1.00 41.34 C
ATOM 780 OG SER A 101 56.238 53.434 15.477 1.00 41.09 O
ATOM 781 C SER A 101 54.859 55.971 14.413 1.00 42.09 C
ATOM 782 O SER A 101 53.660 56.254 14.256 1.00 42.38 O
ATOM 783 N LEU A 102 55.670 56.676 15.201 1.00 41.24 N
ATOM 784 CA LEU A 102 55.175 57.821 15.996 1.00 42.39 C
ATOM 785 CB LEU A 102 56.090 58.148 17.208 1.00 41.65 C
ATOM 786 CG LEU A 102 55.757 59.386 18.091 1.00 42.89 C
ATOM 787 CD1 LEU A 102 54.403 59.276 18.858 1.00 42.88 C
ATOM 788 CD2 LEU A 102 56.918 59.892 19.019 1.00 41.35 C
ATOM 789 C LEU A 102 54.840 59.079 15.179 1.00 42.48 C
ATOM 790 O LEU A 102 53.827 59.765 15.457 1.00 43.23 O
ATOM 791 N LEU A 103 55.662 59.381 14.194 1.00 41.38 N
ATOM 792 CA LEU A 103 55.254 60.419 13.188 1.00 43.39 C
ATOM 793 CB LEU A 103 56.373 60.727 12.191 1.00 42.90 C
ATOM 794 CG LEU A 103 57.499 61.350 13.014 1.00 43.14 C
ATOM 795 CD1 LEU A 103 58.747 60.934 12.389 1.00 45.30 C
ATOM 796 CD2 LEU A 103 57.383 62.827 12.916 1.00 43.52 C
ATOM 797 C LEU A 103 53.931 60.134 12.439 1.00 41.59 C
ATOM 798 O LEU A 103 53.107 61.058 12.190 1.00 40.89 O
ATOM 799 N ASN A 104 53.742 58.879 12.069 1.00 40.38 N
ATOM 800 CA ASN A 104 52.504 58.530 11.428 1.00 39.94 C
ATOM 801 CB ASN A 104 52.640 57.143 10.795 1.00 39.81 C
ATOM 802 CG ASN A 104 53.347 57.194 9.422 1.00 40.19 C
ATOM 803 OD1 ASN A 104 52.967 58.003 8.567 1.00 42.73 O
ATOM 804 ND2 ASN A 104 54.376 56.386 9.221 1.00 35.65 N
ATOM 805 C ASN A 104 51.294 58.731 12.426 1.00 40.38 C
ATOM 806 O ASN A 104 50.255 59.261 12.056 1.00 39.99 O
ATOM 807 N CYS A 105 51.459 58.375 13.701 1.00 39.87 N
ATOM 808 CA CYS A 105 50.448 58.641 14.682 1.00 40.72 C
ATOM 809 CB CYS A 105 50.851 58.121 16.043 1.00 40.35 C
ATOM 810 SG CYS A 105 50.818 56.305 16.090 1.00 43.22 S
ATOM 811 C CYS A 105 50.205 60.136 14.769 1.00 42.29 C
ATOM 812 O CYS A 105 49.028 60.585 14.763 1.00 43.57 O
ATOM 813 N MET A 106 51.270 60.925 14.867 1.00 41.74 N
ATOM 814 CA MET A 106 51.072 62.363 14.852 1.00 42.59 C
ATOM 815 CB MET A 106 52.420 63.074 14.948 1.00 41.83 C
ATOM 816 CG MET A 106 53.129 62.839 16.265 1.00 39.49 C
ATOM 817 SD MET A 106 54.777 63.620 16.224 1.00 41.95 S
ATOM 818 CE MET A 106 54.285 65.390 16.176 1.00 31.87 C
ATOM 819 C MET A 106 50.218 62.904 13.639 1.00 44.05 C
ATOM 820 O MET A 106 49.523 63.961 13.723 1.00 45.42 O
ATOM 821 N ALA A 107 50.260 62.181 12.525 1.00 44.15 N
ATOM 822 CA ALA A 107 49.753 62.704 11.308 1.00 44.28 C
ATOM 823 CB ALA A 107 50.554 62.161 10.106 1.00 44.12 C
ATOM 824 C ALA A 107 48.270 62.350 11.219 1.00 45.28 C
ATOM 825 O ALA A 107 47.493 63.071 10.584 1.00 45.32 O
ATOM 826 N LYS A 108 47.870 61.257 11.853 1.00 45.11 N
ATOM 827 CA LYS A 108 46.450 60.873 11.908 1.00 45.26 C
ATOM 828 CB LYS A 108 46.307 59.366 12.154 1.00 45.62 C
ATOM 829 CG LYS A 108 47.140 58.550 11.165 1.00 51.35 C
ATOM 830 CD LYS A 108 46.662 57.121 10.952 1.00 57.29 C
ATOM 831 CE LYS A 108 46.963 56.671 9.495 1.00 61.60 C
ATOM 832 NZ LYS A 108 46.046 57.340 8.474 1.00 59.93 N
ATOM 833 C LYS A 108 45.711 61.593 13.011 1.00 44.18 C
ATOM 834 O LYS A 108 44.486 61.530 13.050 1.00 43.88 O
ATOM 835 N SER A 109 46.444 62.234 13.932 1.00 43.29 N
ATOM 836 CA SER A 109 45.849 62.745 15.179 1.00 42.09 C
ATOM 837 CB SER A 109 46.857 62.686 16.334 1.00 41.32 C
ATOM 838 OG SER A 109 46.323 63.335 17.504 1.00 43.81 O
ATOM 839 C SER A 109 45.259 64.158 15.051 1.00 42.25 C
ATOM 840 O SER A 109 45.925 65.090 14.585 1.00 41.50 O
ATOM 841 N PRO A 110 44.033 64.326 15.533 1.00 42.61 N
ATOM 842 CA PRO A 110 43.355 65.630 15.630 1.00 43.88 C
ATOM 843 CB PRO A 110 41.966 65.266 16.224 1.00 43.99 C
ATOM 844 CG PRO A 110 41.797 63.712 15.881 1.00 44.16 C
ATOM 845 CD PRO A 110 43.207 63.218 16.059 1.00 43.64 C
ATOM 846 C PRO A 110 44.065 66.661 16.532 1.00 44.24 C
ATOM 847 O PRO A 110 43.935 67.865 16.325 1.00 43.88 O
ATOM 848 N PHE A 111 44.783 66.180 17.543 1.00 45.42 N
ATOM 849 CA PHE A 111 45.482 67.045 18.473 1.00 45.26 C
ATOM 850 CB PHE A 111 46.409 66.253 19.366 1.00 45.27 C
ATOM 851 CG PHE A 111 46.872 67.051 20.566 1.00 46.40 C
ATOM 852 CD1 PHE A 111 45.910 67.572 21.492 1.00 46.61 C
ATOM 853 CE1 PHE A 111 46.319 68.338 22.592 1.00 43.46 C
ATOM 854 CZ PHE A 111 47.708 68.604 22.744 1.00 43.09 C
ATOM 855 CE2 PHE A 111 48.642 68.096 21.845 1.00 38.94 C
ATOM 856 CD2 PHE A 111 48.228 67.305 20.778 1.00 39.57 C
ATOM 857 C PHE A 111 46.328 68.100 17.821 1.00 45.30 C
ATOM 858 O PHE A 111 46.360 69.211 18.291 1.00 45.90 O
ATOM 859 N TRP A 112 47.065 67.739 16.783 1.00 45.13 N
ATOM 860 CA TRP A 112 48.020 68.676 16.191 1.00 45.94 C
ATOM 861 CB TRP A 112 49.206 67.946 15.550 1.00 43.94 C
ATOM 862 CG TRP A 112 49.714 66.881 16.458 1.00 43.88 C
ATOM 863 CD1 TRP A 112 49.524 65.516 16.323 1.00 42.27 C
ATOM 864 NE1 TRP A 112 50.092 64.858 17.419 1.00 43.58 N
ATOM 865 CE2 TRP A 112 50.679 65.773 18.252 1.00 40.83 C
ATOM 866 CD2 TRP A 112 50.440 67.072 17.698 1.00 41.22 C
ATOM 867 CE3 TRP A 112 50.879 68.206 18.404 1.00 35.99 C
ATOM 868 CZ3 TRP A 112 51.563 68.020 19.614 1.00 41.38 C
ATOM 869 CH2 TRP A 112 51.801 66.711 20.147 1.00 43.87 C
ATOM 870 CZ2 TRP A 112 51.347 65.579 19.487 1.00 42.46 C
ATOM 871 C TRP A 112 47.356 69.618 15.173 1.00 47.12 C
ATOM 872 O TRP A 112 47.985 70.594 14.722 1.00 46.38 O
ATOM 873 N ARG A 113 46.100 69.309 14.836 1.00 48.07 N
ATOM 874 CA ARG A 113 45.376 70.004 13.767 1.00 50.13 C
ATOM 875 CB ARG A 113 44.106 69.246 13.327 1.00 50.55 C
ATOM 876 CG ARG A 113 44.392 68.376 12.141 1.00 52.96 C
ATOM 877 CD ARG A 113 43.404 67.269 12.019 1.00 56.17 C
ATOM 878 NE ARG A 113 44.116 66.117 11.460 1.00 57.83 N
ATOM 879 CZ ARG A 113 43.638 64.873 11.430 1.00 57.55 C
ATOM 880 NH1 ARG A 113 42.413 64.583 11.924 1.00 55.72 N
ATOM 881 NH2 ARG A 113 44.391 63.924 10.891 1.00 55.91 N
ATOM 882 C ARG A 113 45.034 71.452 14.060 1.00 49.94 C
ATOM 883 O ARG A 113 44.860 72.229 13.137 1.00 50.79 O
ATOM 884 N SER A 114 44.961 71.822 15.330 1.00 49.98 N
ATOM 885 CA SER A 114 44.531 73.172 15.704 1.00 49.87 C
ATOM 886 CB SER A 114 42.993 73.254 15.811 1.00 50.82 C
ATOM 887 OG SER A 114 42.514 72.405 16.876 1.00 52.76 O
ATOM 888 C SER A 114 45.146 73.419 17.043 1.00 48.67 C
ATOM 889 O SER A 114 45.553 72.480 17.709 1.00 48.38 O
ATOM 890 N GLY A 115 45.261 74.689 17.401 1.00 48.33 N
ATOM 891 CA GLY A 115 45.745 75.084 18.724 1.00 47.89 C
ATOM 892 C GLY A 115 47.210 75.495 18.791 1.00 47.39 C
ATOM 893 O GLY A 115 47.663 75.947 19.849 1.00 46.78 O
ATOM 894 N PHE A 116 47.934 75.351 17.672 1.00 46.49 N
ATOM 895 CA PHE A 116 49.393 75.642 17.628 1.00 47.42 C
ATOM 896 CB PHE A 116 50.237 74.339 17.661 1.00 46.16 C
ATOM 897 CG PHE A 116 49.900 73.429 18.799 1.00 44.24 C
ATOM 898 CD1 PHE A 116 49.089 72.278 18.583 1.00 43.44 C
ATOM 899 CE1 PHE A 116 48.746 71.399 19.646 1.00 42.18 C
ATOM 900 CZ PHE A 116 49.234 71.685 20.937 1.00 44.10 C
ATOM 901 CE2 PHE A 116 50.040 72.867 21.168 1.00 42.27 C
ATOM 902 CD2 PHE A 116 50.359 73.723 20.102 1.00 42.04 C
ATOM 903 C PHE A 116 49.876 76.481 16.432 1.00 47.89 C
ATOM 904 O PHE A 116 49.295 76.402 15.351 1.00 48.16 O
ATOM 905 N GLN A 117 50.943 77.267 16.641 1.00 48.14 N
ATOM 906 CA GLN A 117 51.739 77.828 15.531 1.00 48.19 C
ATOM 907 CB GLN A 117 52.242 79.249 15.870 1.00 49.03 C
ATOM 908 CG GLN A 117 51.091 80.223 16.444 1.00 54.20 C
ATOM 909 CD GLN A 117 50.836 80.157 18.017 1.00 60.29 C
ATOM 910 OE1 GLN A 117 49.666 80.150 18.501 1.00 57.52 O
ATOM 911 NE2 GLN A 117 51.941 80.159 18.807 1.00 62.46 N
ATOM 912 C GLN A 117 52.852 76.762 15.326 1.00 46.57 C
ATOM 913 O GLN A 117 53.022 75.915 16.192 1.00 46.73 O
ATOM 914 N TRP A 118 53.542 76.741 14.181 1.00 44.33 N
ATOM 915 CA TRP A 118 54.363 75.616 13.808 1.00 43.26 C
ATOM 916 CB TRP A 118 53.570 74.693 12.887 1.00 43.00 C
ATOM 917 CG TRP A 118 52.505 73.842 13.570 1.00 43.78 C
ATOM 918 CD1 TRP A 118 51.152 74.147 13.710 1.00 42.25 C
ATOM 919 NE1 TRP A 118 50.503 73.117 14.386 1.00 44.01 N
ATOM 920 CE2 TRP A 118 51.408 72.122 14.671 1.00 42.43 C
ATOM 921 CD2 TRP A 118 52.681 72.527 14.147 1.00 41.70 C
ATOM 922 CE3 TRP A 118 53.777 71.656 14.273 1.00 41.83 C
ATOM 923 CZ3 TRP A 118 53.588 70.445 14.874 1.00 39.48 C
ATOM 924 CH2 TRP A 118 52.320 70.075 15.377 1.00 42.13 C
ATOM 925 CZ2 TRP A 118 51.216 70.899 15.279 1.00 38.04 C
ATOM 926 C TRP A 118 55.560 76.092 13.030 1.00 43.15 C
ATOM 927 O TRP A 118 55.419 76.985 12.202 1.00 43.17 O
ATOM 928 N HIS A 119 56.752 75.557 13.314 1.00 42.55 N
ATOM 929 CA HIS A 119 57.869 75.686 12.366 1.00 41.89 C
ATOM 930 CB HIS A 119 59.101 76.494 12.847 1.00 41.87 C
ATOM 931 CG HIS A 119 58.841 77.953 13.010 1.00 41.23 C
ATOM 932 ND1 HIS A 119 58.106 78.682 12.102 1.00 47.82 N
ATOM 933 CE1 HIS A 119 57.982 79.936 12.523 1.00 45.06 C
ATOM 934 NE2 HIS A 119 58.652 80.055 13.655 1.00 40.97 N
ATOM 935 CD2 HIS A 119 59.198 78.827 13.979 1.00 42.72 C
ATOM 936 C HIS A 119 58.224 74.256 12.092 1.00 42.18 C
ATOM 937 O HIS A 119 58.503 73.472 13.019 1.00 41.95 O
ATOM 938 N VAL A 120 58.189 73.912 10.812 1.00 42.39 N
ATOM 939 CA VAL A 120 58.400 72.555 10.408 1.00 42.86 C
ATOM 940 CB VAL A 120 57.164 72.063 9.644 1.00 43.02 C
ATOM 941 CG1 VAL A 120 57.341 70.568 9.240 1.00 42.21 C
ATOM 942 CG2 VAL A 120 55.984 72.247 10.520 1.00 42.44 C
ATOM 943 C VAL A 120 59.648 72.425 9.569 1.00 42.19 C
ATOM 944 O VAL A 120 59.787 73.116 8.598 1.00 42.00 O
ATOM 945 N LYS A 121 60.553 71.520 9.938 1.00 42.47 N
ATOM 946 CA LYS A 121 61.720 71.196 9.094 1.00 41.14 C
ATOM 947 CB LYS A 121 63.015 71.708 9.729 1.00 40.13 C
ATOM 948 CG LYS A 121 64.292 71.327 8.931 1.00 42.89 C
ATOM 949 CD LYS A 121 64.703 72.481 7.941 1.00 45.74 C
ATOM 950 CE LYS A 121 65.138 71.950 6.562 1.00 50.66 C
ATOM 951 NZ LYS A 121 65.187 73.034 5.508 1.00 47.19 N
ATOM 952 C LYS A 121 61.795 69.653 8.873 1.00 41.38 C
ATOM 953 O LYS A 121 61.853 68.886 9.866 1.00 38.62 O
ATOM 954 N ARG A 122 61.774 69.214 7.589 1.00 42.38 N
ATOM 955 CA ARG A 122 62.111 67.801 7.206 1.00 43.26 C
ATOM 956 CB ARG A 122 61.151 67.150 6.172 1.00 43.49 C
ATOM 957 CG ARG A 122 61.275 65.567 6.017 1.00 41.77 C
ATOM 958 CD ARG A 122 60.051 65.063 5.179 1.00 46.20 C
ATOM 959 NE ARG A 122 59.975 63.715 4.536 1.00 44.79 N
ATOM 960 CZ ARG A 122 60.979 62.857 4.375 1.00 44.67 C
ATOM 961 NH1 ARG A 122 62.233 63.096 4.874 1.00 42.22 N
ATOM 962 NH2 ARG A 122 60.709 61.711 3.733 1.00 45.92 N
ATOM 963 C ARG A 122 63.528 67.773 6.659 1.00 42.87 C
ATOM 964 O ARG A 122 63.843 68.431 5.739 1.00 42.17 O
ATOM 965 N LEU A 123 64.366 66.975 7.254 1.00 43.78 N
ATOM 966 CA LEU A 123 65.648 66.691 6.685 1.00 45.03 C
ATOM 967 CB LEU A 123 66.650 66.426 7.819 1.00 45.69 C
ATOM 968 CG LEU A 123 66.658 67.822 8.433 1.00 46.76 C
ATOM 969 CD1 LEU A 123 67.412 67.898 9.733 1.00 43.72 C
ATOM 970 CD2 LEU A 123 67.193 68.849 7.303 1.00 45.33 C
ATOM 971 C LEU A 123 65.448 65.513 5.766 1.00 45.10 C
ATOM 972 O LEU A 123 64.626 64.611 6.038 1.00 45.16 O
ATOM 973 N ARG A 124 66.141 65.557 4.635 1.00 45.61 N
ATOM 974 CA ARG A 124 66.010 64.502 3.673 1.00 46.57 C
ATOM 975 CB ARG A 124 65.408 64.988 2.351 1.00 45.74 C
ATOM 976 CG ARG A 124 63.851 65.076 2.506 1.00 46.37 C
ATOM 977 CD ARG A 124 63.133 65.757 1.352 1.00 48.98 C
ATOM 978 NE ARG A 124 61.814 65.140 1.109 1.00 53.37 N
ATOM 979 CZ ARG A 124 60.635 65.775 1.260 1.00 58.14 C
ATOM 980 NH1 ARG A 124 60.625 67.070 1.654 1.00 53.49 N
ATOM 981 NH2 ARG A 124 59.452 65.122 1.030 1.00 57.03 N
ATOM 982 C ARG A 124 67.286 63.669 3.593 1.00 47.04 C
ATOM 983 O ARG A 124 68.367 64.171 3.950 1.00 47.27 O
ATOM 984 N LEU A 125 67.134 62.385 3.245 1.00 46.08 N
ATOM 985 CA LEU A 125 68.254 61.596 2.881 1.00 46.89 C
ATOM 986 CB LEU A 125 67.823 60.142 2.656 1.00 47.45 C
ATOM 987 CG LEU A 125 68.969 59.187 2.283 1.00 50.60 C
ATOM 988 CD1 LEU A 125 69.915 59.136 3.448 1.00 51.20 C
ATOM 989 CD2 LEU A 125 68.523 57.749 1.852 1.00 48.21 C
ATOM 990 C LEU A 125 68.909 62.235 1.626 1.00 47.36 C
ATOM 991 O LEU A 125 68.242 62.529 0.596 1.00 47.78 O
ATOM 992 N GLY A 126 70.215 62.486 1.684 1.00 46.72 N
ATOM 993 CA GLY A 126 70.883 63.049 0.476 1.00 44.65 C
ATOM 994 C GLY A 126 71.372 61.904 -0.371 1.00 44.14 C
ATOM 995 O GLY A 126 70.734 60.832 -0.455 1.00 42.28 O
ATOM 996 N ASP A 127 72.532 62.104 -1.004 1.00 44.82 N
ATOM 997 CA ASP A 127 73.236 60.986 -1.615 1.00 44.49 C
ATOM 998 CB ASP A 127 74.404 61.478 -2.417 1.00 44.97 C
ATOM 999 CG ASP A 127 73.997 62.517 -3.449 1.00 47.75 C
ATOM 1000 OD1 ASP A 127 74.791 62.719 -4.364 1.00 47.68 O
ATOM 1001 OD2 ASP A 127 72.908 63.159 -3.335 1.00 50.50 O
ATOM 1002 C ASP A 127 73.656 59.916 -0.593 1.00 44.76 C
ATOM 1003 O ASP A 127 73.962 60.199 0.523 1.00 44.29 O
ATOM 1004 N SER A 128 73.643 58.669 -1.021 1.00 45.96 N
ATOM 1005 CA SER A 128 73.993 57.533 -0.189 1.00 46.40 C
ATOM 1006 CB SER A 128 73.810 56.238 -1.010 1.00 47.23 C
ATOM 1007 OG SER A 128 72.440 55.951 -1.223 1.00 48.51 O
ATOM 1008 C SER A 128 75.425 57.564 0.365 1.00 46.08 C
ATOM 1009 O SER A 128 75.656 57.173 1.481 1.00 45.09 O
ATOM 1010 N ASP A 129 76.409 57.928 -0.438 1.00 47.01 N
ATOM 1011 CA ASP A 129 77.788 57.859 0.049 1.00 47.63 C
ATOM 1012 CB ASP A 129 78.795 57.756 -1.130 1.00 48.51 C
ATOM 1013 CG ASP A 129 78.897 56.295 -1.723 1.00 51.92 C
ATOM 1014 OD1 ASP A 129 78.877 55.238 -0.983 1.00 52.49 O
ATOM 1015 OD2 ASP A 129 79.009 56.199 -2.964 1.00 55.85 O
ATOM 1016 C ASP A 129 78.090 59.002 1.048 1.00 47.29 C
ATOM 1017 O ASP A 129 78.882 58.817 1.958 1.00 47.19 O
ATOM 1018 N ALA A 130 77.439 60.162 0.889 1.00 46.41 N
ATOM 1019 CA ALA A 130 77.464 61.208 1.911 1.00 46.16 C
ATOM 1020 CB ALA A 130 76.782 62.526 1.381 1.00 46.59 C
ATOM 1021 C ALA A 130 76.750 60.707 3.183 1.00 45.84 C
ATOM 1022 O ALA A 130 77.234 60.913 4.310 1.00 45.77 O
ATOM 1023 N PHE A 131 75.609 60.036 3.003 1.00 44.68 N
ATOM 1024 CA PHE A 131 74.959 59.464 4.130 1.00 44.88 C
ATOM 1025 CB PHE A 131 73.602 58.817 3.847 1.00 43.70 C
ATOM 1026 CG PHE A 131 73.069 58.003 5.071 1.00 45.11 C
ATOM 1027 CD1 PHE A 131 73.590 56.724 5.371 1.00 41.87 C
ATOM 1028 CE1 PHE A 131 73.183 56.046 6.480 1.00 39.58 C
ATOM 1029 CZ PHE A 131 72.220 56.592 7.331 1.00 41.71 C
ATOM 1030 CE2 PHE A 131 71.706 57.865 7.078 1.00 38.42 C
ATOM 1031 CD2 PHE A 131 72.145 58.564 5.960 1.00 40.76 C
ATOM 1032 C PHE A 131 75.888 58.481 4.837 1.00 46.03 C
ATOM 1033 O PHE A 131 76.188 58.668 5.986 1.00 48.74 O
ATOM 1034 N LEU A 132 76.285 57.401 4.200 1.00 47.35 N
ATOM 1035 CA LEU A 132 77.321 56.477 4.743 1.00 48.24 C
ATOM 1036 CB LEU A 132 77.803 55.553 3.615 1.00 47.74 C
ATOM 1037 CG LEU A 132 77.233 54.156 3.397 1.00 51.05 C
ATOM 1038 CD1 LEU A 132 76.214 53.684 4.435 1.00 51.64 C
ATOM 1039 CD2 LEU A 132 76.717 53.988 1.981 1.00 50.30 C
ATOM 1040 C LEU A 132 78.544 57.128 5.486 1.00 47.20 C
ATOM 1041 O LEU A 132 78.936 56.685 6.527 1.00 46.55 O
ATOM 1042 N THR A 133 79.139 58.169 4.945 1.00 48.33 N
ATOM 1043 CA THR A 133 80.264 58.860 5.626 1.00 49.06 C
ATOM 1044 CB THR A 133 80.781 60.045 4.756 1.00 49.15 C
ATOM 1045 OG1 THR A 133 81.469 59.526 3.617 1.00 46.88 O
ATOM 1046 CG2 THR A 133 81.700 61.041 5.547 1.00 48.90 C
ATOM 1047 C THR A 133 79.848 59.348 7.034 1.00 49.95 C
ATOM 1048 O THR A 133 80.547 59.056 8.031 1.00 50.45 O
ATOM 1049 N ARG A 134 78.741 60.112 7.095 1.00 49.47 N
ATOM 1050 CA ARG A 134 78.121 60.517 8.353 1.00 49.08 C
ATOM 1051 CB ARG A 134 76.932 61.428 8.097 1.00 48.49 C
ATOM 1052 CG ARG A 134 77.421 62.740 7.531 1.00 54.59 C
ATOM 1053 CD ARG A 134 76.351 63.743 7.254 1.00 57.56 C
ATOM 1054 NE ARG A 134 75.432 63.307 6.203 1.00 57.96 N
ATOM 1055 CZ ARG A 134 74.200 62.908 6.470 1.00 54.63 C
ATOM 1056 NH1 ARG A 134 73.835 62.883 7.713 1.00 51.45 N
ATOM 1057 NH2 ARG A 134 73.359 62.523 5.512 1.00 54.24 N
ATOM 1058 C ARG A 134 77.703 59.316 9.224 1.00 48.48 C
ATOM 1059 O ARG A 134 77.890 59.372 10.441 1.00 49.09 O
ATOM 1060 N ALA A 135 77.151 58.245 8.633 1.00 46.50 N
ATOM 1061 CA ALA A 135 76.791 57.049 9.419 1.00 46.69 C
ATOM 1062 CB ALA A 135 76.004 55.926 8.580 1.00 45.47 C
ATOM 1063 C ALA A 135 78.013 56.464 10.129 1.00 46.00 C
ATOM 1064 O ALA A 135 78.044 56.385 11.346 1.00 46.00 O
ATOM 1065 N LYS A 136 79.015 56.096 9.380 1.00 46.01 N
ATOM 1066 CA LYS A 136 80.286 55.643 9.965 1.00 47.46 C
ATOM 1067 CB LYS A 136 81.365 55.452 8.880 1.00 46.93 C
ATOM 1068 CG LYS A 136 81.028 54.446 7.769 1.00 48.27 C
ATOM 1069 CD LYS A 136 82.320 54.179 6.912 1.00 49.70 C
ATOM 1070 CE LYS A 136 83.338 55.420 6.930 1.00 54.74 C
ATOM 1071 NZ LYS A 136 84.728 55.268 6.279 1.00 54.50 N
ATOM 1072 C LYS A 136 80.880 56.512 11.074 1.00 46.80 C
ATOM 1073 O LYS A 136 81.459 55.972 12.018 1.00 47.12 O
ATOM 1074 N GLN A 137 80.799 57.831 10.937 1.00 46.98 N
ATOM 1075 CA GLN A 137 81.372 58.712 11.928 1.00 47.11 C
ATOM 1076 CB GLN A 137 81.331 60.175 11.483 1.00 47.86 C
ATOM 1077 CG GLN A 137 82.337 61.171 12.272 1.00 49.96 C
ATOM 1078 CD GLN A 137 83.680 60.530 12.918 1.00 54.27 C
ATOM 1079 OE1 GLN A 137 84.472 59.754 12.301 1.00 52.07 O
ATOM 1080 NE2 GLN A 137 83.911 60.905 14.176 1.00 56.56 N
ATOM 1081 C GLN A 137 80.589 58.577 13.202 1.00 46.89 C
ATOM 1082 O GLN A 137 81.151 58.436 14.278 1.00 47.18 O
ATOM 1083 N ARG A 138 79.277 58.616 13.069 1.00 45.63 N
ATOM 1084 CA ARG A 138 78.423 58.411 14.170 1.00 46.09 C
ATOM 1085 CB ARG A 138 76.997 58.507 13.662 1.00 47.26 C
ATOM 1086 CG ARG A 138 75.961 58.648 14.784 1.00 54.16 C
ATOM 1087 CD ARG A 138 75.835 60.205 15.332 1.00 62.92 C
ATOM 1088 NE ARG A 138 75.027 60.082 16.537 1.00 69.32 N
ATOM 1089 CZ ARG A 138 75.497 59.728 17.737 1.00 70.13 C
ATOM 1090 NH1 ARG A 138 76.824 59.591 17.935 1.00 65.50 N
ATOM 1091 NH2 ARG A 138 74.616 59.534 18.730 1.00 68.65 N
ATOM 1092 C ARG A 138 78.657 57.066 14.903 1.00 45.69 C
ATOM 1093 O ARG A 138 78.720 57.036 16.134 1.00 46.58 O
ATOM 1094 N VAL A 139 78.786 55.967 14.162 1.00 44.28 N
ATOM 1095 CA VAL A 139 79.023 54.666 14.746 1.00 44.48 C
ATOM 1096 CB VAL A 139 78.947 53.525 13.698 1.00 43.83 C
ATOM 1097 CG1 VAL A 139 79.142 52.181 14.346 1.00 41.92 C
ATOM 1098 CG2 VAL A 139 77.596 53.573 13.044 1.00 42.43 C
ATOM 1099 C VAL A 139 80.311 54.642 15.561 1.00 45.87 C
ATOM 1100 O VAL A 139 80.292 54.224 16.726 1.00 45.68 O
ATOM 1101 N ALA A 140 81.391 55.162 14.974 1.00 47.13 N
ATOM 1102 CA ALA A 140 82.701 55.371 15.637 1.00 47.88 C
ATOM 1103 CB ALA A 140 83.716 56.044 14.646 1.00 46.73 C
ATOM 1104 C ALA A 140 82.581 56.196 16.924 1.00 48.52 C
ATOM 1105 O ALA A 140 83.249 55.931 17.938 1.00 48.86 O
ATOM 1106 N GLU A 141 81.742 57.205 16.894 1.00 49.62 N
ATOM 1107 CA GLU A 141 81.491 57.904 18.116 1.00 52.27 C
ATOM 1108 CB GLU A 141 80.653 59.151 17.847 1.00 52.42 C
ATOM 1109 CG GLU A 141 81.474 60.094 16.971 1.00 57.87 C
ATOM 1110 CD GLU A 141 80.702 61.299 16.503 1.00 62.67 C
ATOM 1111 OE1 GLU A 141 81.328 62.160 15.815 1.00 68.41 O
ATOM 1112 OE2 GLU A 141 79.490 61.372 16.809 1.00 62.33 O
ATOM 1113 C GLU A 141 80.869 56.973 19.188 1.00 51.86 C
ATOM 1114 O GLU A 141 81.283 56.969 20.352 1.00 51.75 O
ATOM 1115 N MET A 142 79.929 56.134 18.768 1.00 51.21 N
ATOM 1116 CA MET A 142 79.172 55.308 19.726 1.00 49.44 C
ATOM 1117 CB MET A 142 77.902 54.736 19.089 1.00 48.87 C
ATOM 1118 CG MET A 142 76.852 55.828 18.875 1.00 49.72 C
ATOM 1119 SD MET A 142 75.425 55.076 18.042 1.00 50.58 S
ATOM 1120 CE MET A 142 76.096 54.511 16.564 1.00 49.36 C
ATOM 1121 C MET A 142 80.061 54.233 20.196 1.00 47.52 C
ATOM 1122 O MET A 142 79.814 53.627 21.217 1.00 47.22 O
ATOM 1123 N PHE A 143 81.131 54.011 19.449 1.00 46.53 N
ATOM 1124 CA PHE A 143 82.061 52.902 19.741 1.00 45.91 C
ATOM 1125 CB PHE A 143 82.652 52.330 18.427 1.00 45.70 C
ATOM 1126 CG PHE A 143 81.915 51.137 17.875 1.00 41.97 C
ATOM 1127 CD1 PHE A 143 80.562 50.978 18.067 1.00 42.99 C
ATOM 1128 CE1 PHE A 143 79.874 49.860 17.550 1.00 43.09 C
ATOM 1129 CZ PHE A 143 80.555 48.872 16.787 1.00 44.62 C
ATOM 1130 CE2 PHE A 143 81.936 49.015 16.606 1.00 46.78 C
ATOM 1131 CD2 PHE A 143 82.604 50.172 17.138 1.00 43.80 C
ATOM 1132 C PHE A 143 83.202 53.293 20.679 1.00 45.57 C
ATOM 1133 O PHE A 143 83.833 52.457 21.312 1.00 43.38 O
ATOM 1134 N ALA A 144 83.487 54.587 20.686 1.00 47.90 N
ATOM 1135 CA ALA A 144 84.568 55.207 21.462 1.00 49.35 C
ATOM 1136 CB ALA A 144 84.413 56.756 21.336 1.00 48.36 C
ATOM 1137 C ALA A 144 84.483 54.770 22.943 1.00 49.82 C
ATOM 1138 O ALA A 144 83.402 54.852 23.502 1.00 50.61 O
ATOM 1139 N ILE A 145 85.577 54.316 23.566 1.00 51.33 N
ATOM 1140 CA ILE A 145 85.582 54.017 25.015 1.00 52.91 C
ATOM 1141 CB ILE A 145 86.831 53.203 25.479 1.00 53.37 C
ATOM 1142 CG1 ILE A 145 86.805 51.792 24.902 1.00 54.43 C
ATOM 1143 CD1 ILE A 145 88.175 51.118 24.888 1.00 59.09 C
ATOM 1144 CG2 ILE A 145 86.900 53.103 27.046 1.00 52.27 C
ATOM 1145 C ILE A 145 85.591 55.324 25.750 1.00 54.52 C
ATOM 1146 O ILE A 145 86.529 56.091 25.588 1.00 57.12 O
ATOM 1147 N ARG A 146 84.567 55.602 26.552 1.00 55.97 N
ATOM 1148 CA ARG A 146 84.510 56.815 27.419 1.00 57.06 C
ATOM 1149 CB ARG A 146 83.373 57.793 26.990 1.00 56.39 C
ATOM 1150 CG ARG A 146 83.703 58.516 25.658 1.00 57.15 C
ATOM 1151 CD ARG A 146 82.580 59.322 25.078 1.00 58.49 C
ATOM 1152 NE ARG A 146 82.127 60.408 25.970 1.00 59.76 N
ATOM 1153 CZ ARG A 146 82.575 61.664 25.944 1.00 60.72 C
ATOM 1154 NH1 ARG A 146 83.521 62.018 25.077 1.00 60.22 N
ATOM 1155 NH2 ARG A 146 82.075 62.572 26.795 1.00 59.56 N
ATOM 1156 C ARG A 146 84.360 56.384 28.885 1.00 57.65 C
ATOM 1157 O ARG A 146 83.820 55.320 29.170 1.00 57.33 O
ATOM 1158 N GLU A 147 84.844 57.195 29.823 1.00 59.13 N
ATOM 1159 CA GLU A 147 84.660 56.822 31.232 1.00 60.24 C
ATOM 1160 CB GLU A 147 85.891 57.116 32.121 1.00 61.15 C
ATOM 1161 CG GLU A 147 87.215 57.210 31.359 1.00 65.00 C
ATOM 1162 CD GLU A 147 87.400 58.628 30.766 1.00 71.38 C
ATOM 1163 OE1 GLU A 147 88.109 59.456 31.434 1.00 72.43 O
ATOM 1164 OE2 GLU A 147 86.807 58.924 29.674 1.00 70.66 O
ATOM 1165 C GLU A 147 83.319 57.357 31.789 1.00 59.33 C
ATOM 1166 O GLU A 147 82.934 57.014 32.916 1.00 59.17 O
ATOM 1167 N ASP A 148 82.586 58.107 30.961 1.00 57.76 N
ATOM 1168 CA ASP A 148 81.307 58.641 31.385 1.00 57.44 C
ATOM 1169 CB ASP A 148 81.261 60.173 31.210 1.00 58.27 C
ATOM 1170 CG ASP A 148 81.122 60.619 29.750 1.00 59.98 C
ATOM 1171 OD1 ASP A 148 80.897 61.859 29.527 1.00 62.49 O
ATOM 1172 OD2 ASP A 148 81.244 59.760 28.844 1.00 56.17 O
ATOM 1173 C ASP A 148 80.055 58.021 30.800 1.00 56.23 C
ATOM 1174 O ASP A 148 78.928 58.474 31.093 1.00 56.60 O
ATOM 1175 N ARG A 149 80.220 57.032 29.934 1.00 53.81 N
ATOM 1176 CA ARG A 149 79.058 56.436 29.290 1.00 51.53 C
ATOM 1177 CB ARG A 149 78.293 57.456 28.407 1.00 51.19 C
ATOM 1178 CG ARG A 149 78.944 57.900 27.099 1.00 52.35 C
ATOM 1179 CD ARG A 149 78.494 56.974 25.948 1.00 49.47 C
ATOM 1180 NE ARG A 149 79.296 57.049 24.725 1.00 50.60 N
ATOM 1181 CZ ARG A 149 80.430 56.372 24.477 1.00 48.77 C
ATOM 1182 NH1 ARG A 149 80.993 55.568 25.372 1.00 48.21 N
ATOM 1183 NH2 ARG A 149 80.996 56.479 23.302 1.00 43.92 N
ATOM 1184 C ARG A 149 79.463 55.154 28.553 1.00 50.11 C
ATOM 1185 O ARG A 149 80.577 55.075 27.993 1.00 49.43 O
ATOM 1186 N PRO A 150 78.590 54.146 28.590 1.00 47.78 N
ATOM 1187 CA PRO A 150 78.961 52.876 27.953 1.00 46.85 C
ATOM 1188 CB PRO A 150 77.927 51.881 28.498 1.00 46.14 C
ATOM 1189 CG PRO A 150 76.678 52.729 28.769 1.00 48.31 C
ATOM 1190 CD PRO A 150 77.251 54.116 29.221 1.00 48.82 C
ATOM 1191 C PRO A 150 78.919 53.003 26.428 1.00 46.12 C
ATOM 1192 O PRO A 150 78.101 53.788 25.873 1.00 47.55 O
ATOM 1193 N SER A 151 79.827 52.316 25.751 1.00 44.15 N
ATOM 1194 CA SER A 151 79.724 52.152 24.279 1.00 43.70 C
ATOM 1195 CB SER A 151 80.977 51.526 23.664 1.00 43.26 C
ATOM 1196 OG SER A 151 81.030 50.147 24.011 1.00 47.67 O
ATOM 1197 C SER A 151 78.539 51.300 23.914 1.00 40.63 C
ATOM 1198 O SER A 151 78.010 50.613 24.734 1.00 40.39 O
ATOM 1199 N LEU A 152 78.131 51.377 22.666 1.00 40.52 N
ATOM 1200 CA LEU A 152 77.091 50.523 22.121 1.00 40.34 C
ATOM 1201 CB LEU A 152 76.950 50.782 20.588 1.00 40.10 C
ATOM 1202 CG LEU A 152 75.907 50.056 19.691 1.00 41.68 C
ATOM 1203 CD1 LEU A 152 75.819 50.898 18.400 1.00 42.46 C
ATOM 1204 CD2 LEU A 152 76.220 48.525 19.383 1.00 35.80 C
ATOM 1205 C LEU A 152 77.387 49.012 22.400 1.00 41.18 C
ATOM 1206 O LEU A 152 76.451 48.258 22.663 1.00 40.43 O
ATOM 1207 N LEU A 153 78.677 48.635 22.377 1.00 39.90 N
ATOM 1208 CA LEU A 153 79.102 47.244 22.414 1.00 41.61 C
ATOM 1209 CB LEU A 153 80.546 47.085 21.821 1.00 40.40 C
ATOM 1210 CG LEU A 153 80.612 47.144 20.260 1.00 37.81 C
ATOM 1211 CD1 LEU A 153 81.973 46.797 19.643 1.00 30.93 C
ATOM 1212 CD2 LEU A 153 79.553 46.269 19.638 1.00 35.22 C
ATOM 1213 C LEU A 153 79.016 46.778 23.840 1.00 42.26 C
ATOM 1214 O LEU A 153 78.545 45.677 24.146 1.00 41.18 O
ATOM 1215 N GLU A 154 79.429 47.688 24.725 1.00 43.00 N
ATOM 1216 CA GLU A 154 79.208 47.533 26.165 1.00 41.61 C
ATOM 1217 CB GLU A 154 79.901 48.688 26.873 1.00 41.83 C
ATOM 1218 CG GLU A 154 81.389 48.512 26.818 1.00 44.21 C
ATOM 1219 CD GLU A 154 82.114 49.677 27.439 1.00 49.42 C
ATOM 1220 OE1 GLU A 154 81.483 50.755 27.643 1.00 46.77 O
ATOM 1221 OE2 GLU A 154 83.312 49.491 27.762 1.00 48.50 O
ATOM 1222 C GLU A 154 77.715 47.389 26.596 1.00 40.55 C
ATOM 1223 O GLU A 154 77.386 46.485 27.400 1.00 40.77 O
ATOM 1224 N GLU A 155 76.861 48.314 26.138 1.00 39.55 N
ATOM 1225 CA GLU A 155 75.380 48.229 26.342 1.00 39.56 C
ATOM 1226 CB GLU A 155 74.617 49.312 25.593 1.00 36.55 C
ATOM 1227 CG GLU A 155 75.120 50.657 25.911 1.00 40.36 C
ATOM 1228 CD GLU A 155 74.266 51.743 25.345 1.00 43.20 C
ATOM 1229 OE1 GLU A 155 73.928 51.630 24.160 1.00 44.04 O
ATOM 1230 OE2 GLU A 155 73.886 52.685 26.097 1.00 48.12 O
ATOM 1231 C GLU A 155 74.868 46.856 25.892 1.00 39.94 C
ATOM 1232 O GLU A 155 74.077 46.199 26.615 1.00 40.59 O
ATOM 1233 N LEU A 156 75.379 46.409 24.728 1.00 39.24 N
ATOM 1234 CA LEU A 156 74.947 45.159 24.142 1.00 38.82 C
ATOM 1235 CB LEU A 156 75.462 45.035 22.699 1.00 38.54 C
ATOM 1236 CG LEU A 156 75.298 43.627 22.061 1.00 36.07 C
ATOM 1237 CD1 LEU A 156 73.803 43.239 21.806 1.00 30.94 C
ATOM 1238 CD2 LEU A 156 75.995 43.649 20.729 1.00 31.03 C
ATOM 1239 C LEU A 156 75.387 43.936 24.987 1.00 39.79 C
ATOM 1240 O LEU A 156 74.588 43.004 25.217 1.00 38.83 O
ATOM 1241 N ALA A 157 76.654 43.946 25.466 1.00 40.68 N
ATOM 1242 CA ALA A 157 77.204 42.793 26.243 1.00 40.17 C
ATOM 1243 CB ALA A 157 78.726 42.957 26.414 1.00 40.27 C
ATOM 1244 C ALA A 157 76.513 42.681 27.617 1.00 40.23 C
ATOM 1245 O ALA A 157 76.171 41.599 28.102 1.00 39.60 O
ATOM 1246 N GLU A 158 76.275 43.839 28.225 1.00 40.49 N
ATOM 1247 CA GLU A 158 75.554 43.899 29.477 1.00 41.30 C
ATOM 1248 CB GLU A 158 75.457 45.361 29.914 1.00 42.12 C
ATOM 1249 CG GLU A 158 74.625 45.628 31.156 1.00 47.26 C
ATOM 1250 CD GLU A 158 75.004 44.820 32.400 1.00 49.65 C
ATOM 1251 OE1 GLU A 158 74.054 44.454 33.110 1.00 52.50 O
ATOM 1252 OE2 GLU A 158 76.200 44.595 32.700 1.00 50.32 O
ATOM 1253 C GLU A 158 74.197 43.266 29.383 1.00 40.92 C
ATOM 1254 O GLU A 158 73.854 42.394 30.179 1.00 41.37 O
ATOM 1255 N LEU A 159 73.410 43.689 28.401 1.00 41.72 N
ATOM 1256 CA LEU A 159 72.080 43.117 28.258 1.00 41.73 C
ATOM 1257 CB LEU A 159 71.230 43.938 27.320 1.00 40.86 C
ATOM 1258 CG LEU A 159 70.337 45.197 27.622 1.00 42.53 C
ATOM 1259 CD1 LEU A 159 69.908 45.416 29.060 1.00 38.42 C
ATOM 1260 CD2 LEU A 159 70.842 46.449 27.010 1.00 40.39 C
ATOM 1261 C LEU A 159 72.116 41.637 27.813 1.00 42.20 C
ATOM 1262 O LEU A 159 71.178 40.897 28.033 1.00 42.80 O
ATOM 1263 N TRP A 160 73.175 41.200 27.178 1.00 42.62 N
ATOM 1264 CA TRP A 160 73.083 39.942 26.501 1.00 45.00 C
ATOM 1265 CB TRP A 160 74.235 39.759 25.509 1.00 45.89 C
ATOM 1266 CG TRP A 160 73.950 38.739 24.471 1.00 47.87 C
ATOM 1267 CD1 TRP A 160 74.520 37.488 24.376 1.00 45.81 C
ATOM 1268 NE1 TRP A 160 73.990 36.821 23.305 1.00 49.08 N
ATOM 1269 CE2 TRP A 160 73.085 37.621 22.654 1.00 50.24 C
ATOM 1270 CD2 TRP A 160 73.035 38.855 23.356 1.00 49.97 C
ATOM 1271 CE3 TRP A 160 72.169 39.868 22.898 1.00 48.80 C
ATOM 1272 CZ3 TRP A 160 71.382 39.614 21.769 1.00 46.58 C
ATOM 1273 CH2 TRP A 160 71.481 38.371 21.066 1.00 49.06 C
ATOM 1274 CZ2 TRP A 160 72.312 37.370 21.496 1.00 48.41 C
ATOM 1275 C TRP A 160 73.014 38.873 27.566 1.00 46.02 C
ATOM 1276 O TRP A 160 72.422 37.824 27.352 1.00 47.06 O
ATOM 1277 N ASN A 161 73.577 39.176 28.737 1.00 46.86 N
ATOM 1278 CA ASN A 161 73.320 38.444 29.982 1.00 46.86 C
ATOM 1279 CB ASN A 161 73.898 39.191 31.193 1.00 46.72 C
ATOM 1280 CG ASN A 161 75.416 39.287 31.146 1.00 47.60 C
ATOM 1281 OD1 ASN A 161 76.106 38.276 30.952 1.00 46.23 O
ATOM 1282 ND2 ASN A 161 75.941 40.517 31.256 1.00 45.72 N
ATOM 1283 C ASN A 161 71.882 38.103 30.335 1.00 46.78 C
ATOM 1284 O ASN A 161 71.710 37.210 31.137 1.00 48.18 O
ATOM 1285 N TYR A 162 70.878 38.812 29.808 1.00 45.73 N
ATOM 1286 CA TYR A 162 69.441 38.596 30.171 1.00 44.22 C
ATOM 1287 CB TYR A 162 68.789 39.904 30.642 1.00 43.77 C
ATOM 1288 CG TYR A 162 69.576 40.467 31.802 1.00 46.37 C
ATOM 1289 CD1 TYR A 162 69.314 40.037 33.129 1.00 49.94 C
ATOM 1290 CE1 TYR A 162 70.076 40.517 34.196 1.00 46.31 C
ATOM 1291 CZ TYR A 162 71.120 41.411 33.937 1.00 46.41 C
ATOM 1292 OH TYR A 162 71.887 41.819 34.969 1.00 46.37 O
ATOM 1293 CE2 TYR A 162 71.422 41.838 32.653 1.00 43.50 C
ATOM 1294 CD2 TYR A 162 70.653 41.354 31.595 1.00 44.75 C
ATOM 1295 C TYR A 162 68.693 38.045 28.971 1.00 43.76 C
ATOM 1296 O TYR A 162 68.364 38.811 28.063 1.00 42.38 O
ATOM 1297 N PRO A 163 68.416 36.716 28.946 1.00 41.96 N
ATOM 1298 CA PRO A 163 67.892 36.070 27.728 1.00 42.43 C
ATOM 1299 CB PRO A 163 67.590 34.630 28.186 1.00 41.86 C
ATOM 1300 CG PRO A 163 68.541 34.379 29.260 1.00 41.04 C
ATOM 1301 CD PRO A 163 68.556 35.753 30.030 1.00 42.36 C
ATOM 1302 C PRO A 163 66.685 36.747 27.014 1.00 42.29 C
ATOM 1303 O PRO A 163 66.660 36.852 25.795 1.00 43.95 O
ATOM 1304 N ALA A 164 65.751 37.261 27.777 1.00 42.62 N
ATOM 1305 CA ALA A 164 64.653 38.077 27.322 1.00 42.05 C
ATOM 1306 CB ALA A 164 63.796 38.381 28.555 1.00 41.75 C
ATOM 1307 C ALA A 164 65.040 39.391 26.569 1.00 42.81 C
ATOM 1308 O ALA A 164 64.218 39.965 25.815 1.00 42.48 O
ATOM 1309 N ALA A 165 66.268 39.870 26.764 1.00 41.94 N
ATOM 1310 CA ALA A 165 66.704 41.084 26.089 1.00 42.56 C
ATOM 1311 CB ALA A 165 67.820 41.721 26.845 1.00 42.06 C
ATOM 1312 C ALA A 165 67.134 40.773 24.653 1.00 43.18 C
ATOM 1313 O ALA A 165 67.103 41.652 23.737 1.00 43.39 O
ATOM 1314 N ARG A 166 67.511 39.509 24.451 1.00 42.77 N
ATOM 1315 CA ARG A 166 68.091 39.021 23.182 1.00 42.92 C
ATOM 1316 CB ARG A 166 68.608 37.551 23.341 1.00 43.19 C
ATOM 1317 CG ARG A 166 69.709 37.531 24.372 1.00 43.24 C
ATOM 1318 CD ARG A 166 70.269 36.207 24.527 1.00 46.15 C
ATOM 1319 NE ARG A 166 71.112 36.157 25.714 1.00 47.02 N
ATOM 1320 CZ ARG A 166 71.636 35.035 26.213 1.00 48.83 C
ATOM 1321 NH1 ARG A 166 71.405 33.846 25.654 1.00 47.53 N
ATOM 1322 NH2 ARG A 166 72.385 35.102 27.291 1.00 49.48 N
ATOM 1323 C ARG A 166 67.184 39.221 21.952 1.00 41.59 C
ATOM 1324 O ARG A 166 67.617 39.845 21.029 1.00 40.57 O
ATOM 1325 N PRO A 167 65.921 38.710 21.970 1.00 42.01 N
ATOM 1326 CA PRO A 167 64.950 38.932 20.869 1.00 42.49 C
ATOM 1327 CB PRO A 167 63.651 38.345 21.406 1.00 43.68 C
ATOM 1328 CG PRO A 167 64.005 37.536 22.588 1.00 42.87 C
ATOM 1329 CD PRO A 167 65.364 37.888 23.053 1.00 41.70 C
ATOM 1330 C PRO A 167 64.705 40.414 20.584 1.00 42.23 C
ATOM 1331 O PRO A 167 64.567 40.806 19.470 1.00 40.17 O
ATOM 1332 N ILE A 168 64.663 41.221 21.641 1.00 43.53 N
ATOM 1333 CA ILE A 168 64.371 42.628 21.549 1.00 42.79 C
ATOM 1334 CB ILE A 168 63.943 43.170 22.951 1.00 43.10 C
ATOM 1335 CG1 ILE A 168 62.652 42.447 23.348 1.00 46.16 C
ATOM 1336 CD1 ILE A 168 62.497 42.173 24.846 1.00 47.19 C
ATOM 1337 CG2 ILE A 168 63.723 44.672 22.957 1.00 38.67 C
ATOM 1338 C ILE A 168 65.554 43.357 20.891 1.00 43.38 C
ATOM 1339 O ILE A 168 65.311 44.193 20.058 1.00 42.75 O
ATOM 1340 N LEU A 169 66.811 43.034 21.238 1.00 43.48 N
ATOM 1341 CA LEU A 169 67.989 43.757 20.651 1.00 43.14 C
ATOM 1342 CB LEU A 169 69.275 43.459 21.448 1.00 42.54 C
ATOM 1343 CG LEU A 169 69.311 44.112 22.856 1.00 39.85 C
ATOM 1344 CD1 LEU A 169 70.285 43.399 23.688 1.00 42.21 C
ATOM 1345 CD2 LEU A 169 69.757 45.561 22.787 1.00 34.33 C
ATOM 1346 C LEU A 169 68.182 43.450 19.146 1.00 44.34 C
ATOM 1347 O LEU A 169 68.526 44.335 18.334 1.00 44.01 O
ATOM 1348 N GLU A 170 67.910 42.201 18.793 1.00 44.45 N
ATOM 1349 CA GLU A 170 67.809 41.729 17.397 1.00 46.45 C
ATOM 1350 CB GLU A 170 67.545 40.180 17.318 1.00 44.18 C
ATOM 1351 CG GLU A 170 68.762 39.359 17.747 1.00 45.30 C
ATOM 1352 CD GLU A 170 68.437 37.866 18.081 1.00 48.25 C
ATOM 1353 OE1 GLU A 170 69.348 37.123 18.546 1.00 49.43 O
ATOM 1354 OE2 GLU A 170 67.259 37.429 17.928 1.00 46.80 O
ATOM 1355 C GLU A 170 66.745 42.473 16.544 1.00 46.34 C
ATOM 1356 O GLU A 170 66.787 42.299 15.342 1.00 47.49 O
ATOM 1357 N ASP A 171 65.796 43.226 17.128 1.00 45.43 N
ATOM 1358 CA ASP A 171 64.895 44.078 16.320 1.00 44.95 C
ATOM 1359 CB ASP A 171 63.405 43.904 16.644 1.00 44.93 C
ATOM 1360 CG ASP A 171 62.812 42.542 16.153 1.00 53.38 C
ATOM 1361 OD1 ASP A 171 61.910 41.987 16.863 1.00 55.91 O
ATOM 1362 OD2 ASP A 171 63.226 41.997 15.092 1.00 57.18 O
ATOM 1363 C ASP A 171 65.279 45.581 16.383 1.00 43.26 C
ATOM 1364 O ASP A 171 64.491 46.446 16.011 1.00 42.97 O
ATOM 1365 N ILE A 172 66.488 45.880 16.827 1.00 41.49 N
ATOM 1366 CA ILE A 172 66.970 47.245 16.936 1.00 40.87 C
ATOM 1367 CB ILE A 172 67.140 47.659 18.434 1.00 41.61 C
ATOM 1368 CG1 ILE A 172 65.813 47.544 19.186 1.00 41.96 C
ATOM 1369 CD1 ILE A 172 66.018 47.354 20.698 1.00 40.05 C
ATOM 1370 CG2 ILE A 172 67.689 49.140 18.631 1.00 38.96 C
ATOM 1371 C ILE A 172 68.250 47.517 16.088 1.00 42.11 C
ATOM 1372 O ILE A 172 69.197 46.684 16.027 1.00 42.28 O
ATOM 1373 N ASP A 173 68.251 48.667 15.379 1.00 41.54 N
ATOM 1374 CA ASP A 173 69.349 48.978 14.485 1.00 40.86 C
ATOM 1375 CB ASP A 173 69.007 50.173 13.558 1.00 40.34 C
ATOM 1376 CG ASP A 173 67.790 49.865 12.602 1.00 43.78 C
ATOM 1377 OD1 ASP A 173 67.510 48.676 12.139 1.00 48.26 O
ATOM 1378 OD2 ASP A 173 67.102 50.839 12.275 1.00 40.10 O
ATOM 1379 C ASP A 173 70.686 49.105 15.232 1.00 40.12 C
ATOM 1380 O ASP A 173 70.757 49.546 16.363 1.00 41.42 O
ATOM 1381 N GLY A 174 71.771 48.727 14.594 1.00 40.58 N
ATOM 1382 CA GLY A 174 73.079 48.758 15.242 1.00 40.35 C
ATOM 1383 C GLY A 174 73.237 47.454 16.000 1.00 40.43 C
ATOM 1384 O GLY A 174 74.159 46.648 15.702 1.00 40.35 O
ATOM 1385 N TYR A 175 72.314 47.234 16.954 1.00 39.56 N
ATOM 1386 CA TYR A 175 72.333 46.004 17.731 1.00 41.41 C
ATOM 1387 CB TYR A 175 71.405 45.977 18.996 1.00 39.99 C
ATOM 1388 CG TYR A 175 71.738 47.126 19.929 1.00 41.61 C
ATOM 1389 CD1 TYR A 175 70.993 48.284 19.890 1.00 38.68 C
ATOM 1390 CE1 TYR A 175 71.308 49.355 20.658 1.00 41.07 C
ATOM 1391 CZ TYR A 175 72.364 49.300 21.500 1.00 38.65 C
ATOM 1392 OH TYR A 175 72.603 50.438 22.259 1.00 39.82 O
ATOM 1393 CE2 TYR A 175 73.155 48.151 21.565 1.00 37.04 C
ATOM 1394 CD2 TYR A 175 72.859 47.090 20.761 1.00 37.69 C
ATOM 1395 C TYR A 175 72.141 44.820 16.837 1.00 41.33 C
ATOM 1396 O TYR A 175 72.986 43.977 16.883 1.00 43.43 O
ATOM 1397 N ARG A 176 71.067 44.751 16.027 1.00 41.62 N
ATOM 1398 CA ARG A 176 70.853 43.608 15.092 1.00 40.94 C
ATOM 1399 CB ARG A 176 69.737 43.954 14.107 1.00 41.02 C
ATOM 1400 CG ARG A 176 69.430 42.854 13.041 1.00 42.36 C
ATOM 1401 CD ARG A 176 68.404 43.320 11.996 1.00 41.66 C
ATOM 1402 NE ARG A 176 67.295 44.067 12.638 1.00 44.72 N
ATOM 1403 CZ ARG A 176 67.167 45.404 12.602 1.00 43.99 C
ATOM 1404 NH1 ARG A 176 68.054 46.182 11.974 1.00 41.20 N
ATOM 1405 NH2 ARG A 176 66.151 45.978 13.216 1.00 43.02 N
ATOM 1406 C ARG A 176 72.158 43.380 14.327 1.00 41.50 C
ATOM 1407 O ARG A 176 72.672 42.259 14.256 1.00 40.34 O
ATOM 1408 N CYS A 177 72.709 44.454 13.745 1.00 40.83 N
ATOM 1409 CA CYS A 177 73.948 44.266 12.968 1.00 41.33 C
ATOM 1410 CB CYS A 177 74.439 45.578 12.353 1.00 42.57 C
ATOM 1411 SG CYS A 177 75.772 45.356 11.197 1.00 40.48 S
ATOM 1412 C CYS A 177 75.082 43.666 13.764 1.00 41.31 C
ATOM 1413 O CYS A 177 75.758 42.737 13.298 1.00 42.76 O
ATOM 1414 N ALA A 178 75.319 44.228 14.938 1.00 41.69 N
ATOM 1415 CA ALA A 178 76.364 43.767 15.844 1.00 40.90 C
ATOM 1416 CB ALA A 178 76.381 44.620 17.038 1.00 40.89 C
ATOM 1417 C ALA A 178 76.148 42.304 16.232 1.00 41.26 C
ATOM 1418 O ALA A 178 77.114 41.517 16.304 1.00 41.50 O
ATOM 1419 N ILE A 179 74.900 41.912 16.455 1.00 40.60 N
ATOM 1420 CA ILE A 179 74.661 40.531 16.870 1.00 40.85 C
ATOM 1421 CB ILE A 179 73.207 40.344 17.405 1.00 41.86 C
ATOM 1422 CG1 ILE A 179 72.957 41.282 18.632 1.00 40.53 C
ATOM 1423 CD1 ILE A 179 71.467 41.471 18.978 1.00 38.62 C
ATOM 1424 CG2 ILE A 179 72.892 38.825 17.650 1.00 38.44 C
ATOM 1425 C ILE A 179 74.993 39.544 15.728 1.00 41.85 C
ATOM 1426 O ILE A 179 75.714 38.539 15.925 1.00 41.36 O
ATOM 1427 N ARG A 180 74.514 39.893 14.527 1.00 42.15 N
ATOM 1428 CA ARG A 180 74.778 39.146 13.357 1.00 42.27 C
ATOM 1429 CB ARG A 180 73.961 39.707 12.214 1.00 43.91 C
ATOM 1430 CG ARG A 180 74.234 38.924 10.877 1.00 49.03 C
ATOM 1431 CD ARG A 180 73.679 39.685 9.670 1.00 58.04 C
ATOM 1432 NE ARG A 180 73.778 38.880 8.446 1.00 63.15 N
ATOM 1433 CZ ARG A 180 73.737 39.360 7.197 1.00 65.75 C
ATOM 1434 NH1 ARG A 180 73.571 40.696 6.967 1.00 62.01 N
ATOM 1435 NH2 ARG A 180 73.863 38.487 6.168 1.00 61.18 N
ATOM 1436 C ARG A 180 76.278 39.142 12.987 1.00 41.42 C
ATOM 1437 O ARG A 180 76.809 38.104 12.570 1.00 41.03 O
ATOM 1438 N PHE A 181 76.952 40.286 13.081 1.00 40.24 N
ATOM 1439 CA PHE A 181 78.384 40.281 12.858 1.00 39.89 C
ATOM 1440 CB PHE A 181 78.945 41.655 13.098 1.00 39.88 C
ATOM 1441 CG PHE A 181 80.394 41.836 12.684 1.00 40.21 C
ATOM 1442 CD1 PHE A 181 81.428 41.653 13.604 1.00 41.21 C
ATOM 1443 CE1 PHE A 181 82.781 41.855 13.209 1.00 44.51 C
ATOM 1444 CZ PHE A 181 83.096 42.297 11.900 1.00 40.68 C
ATOM 1445 CE2 PHE A 181 82.061 42.522 10.993 1.00 40.90 C
ATOM 1446 CD2 PHE A 181 80.715 42.292 11.391 1.00 38.70 C
ATOM 1447 C PHE A 181 79.100 39.236 13.755 1.00 40.46 C
ATOM 1448 O PHE A 181 79.968 38.479 13.280 1.00 39.78 O
ATOM 1449 N ALA A 182 78.731 39.189 15.048 1.00 40.64 N
ATOM 1450 CA ALA A 182 79.338 38.240 16.003 1.00 40.35 C
ATOM 1451 CB ALA A 182 78.829 38.487 17.405 1.00 41.21 C
ATOM 1452 C ALA A 182 79.121 36.772 15.609 1.00 40.96 C
ATOM 1453 O ALA A 182 80.058 35.989 15.753 1.00 40.27 O
ATOM 1454 N ARG A 183 77.926 36.425 15.089 1.00 40.23 N
ATOM 1455 CA ARG A 183 77.567 35.027 14.880 1.00 41.57 C
ATOM 1456 CB ARG A 183 76.053 34.850 14.649 1.00 43.63 C
ATOM 1457 CG ARG A 183 75.075 35.414 15.751 1.00 44.56 C
ATOM 1458 CD ARG A 183 74.904 34.455 16.968 1.00 49.98 C
ATOM 1459 NE ARG A 183 73.746 34.655 17.899 1.00 53.07 N
ATOM 1460 CZ ARG A 183 72.538 35.214 17.625 1.00 55.55 C
ATOM 1461 NH1 ARG A 183 72.200 35.708 16.426 1.00 59.69 N
ATOM 1462 NH2 ARG A 183 71.634 35.292 18.578 1.00 53.67 N
ATOM 1463 C ARG A 183 78.326 34.680 13.637 1.00 41.41 C
ATOM 1464 O ARG A 183 78.910 33.608 13.533 1.00 39.66 O
ATOM 1465 N LYS A 184 78.385 35.655 12.717 1.00 40.53 N
ATOM 1466 CA LYS A 184 79.019 35.449 11.412 1.00 39.02 C
ATOM 1467 CB LYS A 184 78.772 36.672 10.545 1.00 38.73 C
ATOM 1468 CG LYS A 184 79.708 36.957 9.395 1.00 44.28 C
ATOM 1469 CD LYS A 184 79.220 38.272 8.736 1.00 50.84 C
ATOM 1470 CE LYS A 184 80.287 39.025 7.868 1.00 54.01 C
ATOM 1471 NZ LYS A 184 80.118 40.508 8.068 1.00 37.63 N
ATOM 1472 C LYS A 184 80.489 35.035 11.523 1.00 37.52 C
ATOM 1473 O LYS A 184 80.983 34.218 10.722 1.00 35.66 O
ATOM 1474 N HIS A 185 81.157 35.550 12.555 1.00 36.57 N
ATOM 1475 CA HIS A 185 82.599 35.305 12.782 1.00 35.96 C
ATOM 1476 CB HIS A 185 83.338 36.638 13.043 1.00 34.75 C
ATOM 1477 CG HIS A 185 83.321 37.550 11.861 1.00 38.10 C
ATOM 1478 ND1 HIS A 185 83.937 37.230 10.668 1.00 39.99 N
ATOM 1479 CE1 HIS A 185 83.720 38.187 9.783 1.00 37.44 C
ATOM 1480 NE2 HIS A 185 83.021 39.138 10.371 1.00 42.73 N
ATOM 1481 CD2 HIS A 185 82.740 38.759 11.667 1.00 42.41 C
ATOM 1482 C HIS A 185 82.836 34.357 13.914 1.00 35.24 C
ATOM 1483 O HIS A 185 83.983 34.086 14.245 1.00 35.53 O
ATOM 1484 N ASP A 186 81.748 33.830 14.485 1.00 36.28 N
ATOM 1485 CA ASP A 186 81.768 32.904 15.634 1.00 37.07 C
ATOM 1486 CB ASP A 186 82.472 31.582 15.255 1.00 36.92 C
ATOM 1487 CG ASP A 186 82.208 30.479 16.258 1.00 38.33 C
ATOM 1488 OD1 ASP A 186 81.144 30.568 16.970 1.00 40.11 O
ATOM 1489 OD2 ASP A 186 83.033 29.523 16.340 1.00 37.01 O
ATOM 1490 C ASP A 186 82.376 33.499 16.944 1.00 38.87 C
ATOM 1491 O ASP A 186 83.099 32.805 17.709 1.00 39.33 O
ATOM 1492 N LEU A 187 82.125 34.786 17.186 1.00 39.57 N
ATOM 1493 CA LEU A 187 82.632 35.419 18.362 1.00 41.24 C
ATOM 1494 CB LEU A 187 83.032 36.870 18.077 1.00 41.88 C
ATOM 1495 CG LEU A 187 83.854 37.280 16.878 1.00 44.40 C
ATOM 1496 CD1 LEU A 187 83.536 38.716 16.685 1.00 42.54 C
ATOM 1497 CD2 LEU A 187 85.384 37.058 17.045 1.00 47.52 C
ATOM 1498 C LEU A 187 81.448 35.458 19.322 1.00 41.54 C
ATOM 1499 O LEU A 187 80.298 35.557 18.903 1.00 41.57 O
ATOM 1500 N ALA A 188 81.736 35.409 20.606 1.00 41.88 N
ATOM 1501 CA ALA A 188 80.726 35.677 21.603 1.00 42.54 C
ATOM 1502 CB ALA A 188 81.181 35.161 22.973 1.00 42.74 C
ATOM 1503 C ALA A 188 80.483 37.172 21.654 1.00 42.94 C
ATOM 1504 O ALA A 188 81.395 37.988 21.426 1.00 42.32 O
ATOM 1505 N ILE A 189 79.229 37.521 21.931 1.00 43.74 N
ATOM 1506 CA ILE A 189 78.827 38.907 22.044 1.00 44.18 C
ATOM 1507 CB ILE A 189 77.364 38.966 22.414 1.00 44.79 C
ATOM 1508 CG1 ILE A 189 76.525 38.307 21.327 1.00 46.21 C
ATOM 1509 CD1 ILE A 189 76.318 39.246 20.185 1.00 54.48 C
ATOM 1510 CG2 ILE A 189 76.929 40.414 22.716 1.00 42.05 C
ATOM 1511 C ILE A 189 79.677 39.679 23.093 1.00 45.44 C
ATOM 1512 O ILE A 189 79.982 40.893 22.912 1.00 44.87 O
ATOM 1513 N SER A 190 80.026 38.980 24.176 1.00 45.66 N
ATOM 1514 CA SER A 190 80.887 39.517 25.206 1.00 48.05 C
ATOM 1515 CB SER A 190 81.189 38.473 26.315 1.00 48.11 C
ATOM 1516 OG SER A 190 80.947 37.104 25.931 1.00 49.47 O
ATOM 1517 C SER A 190 82.174 40.000 24.573 1.00 49.53 C
ATOM 1518 O SER A 190 82.672 41.067 24.922 1.00 50.15 O
ATOM 1519 N GLN A 191 82.652 39.240 23.589 1.00 50.44 N
ATOM 1520 CA GLN A 191 83.944 39.449 22.913 1.00 51.96 C
ATOM 1521 CB GLN A 191 84.459 38.080 22.384 1.00 52.50 C
ATOM 1522 CG GLN A 191 84.898 37.168 23.544 1.00 55.55 C
ATOM 1523 CD GLN A 191 85.621 38.003 24.635 1.00 59.67 C
ATOM 1524 OE1 GLN A 191 86.738 38.522 24.399 1.00 58.42 O
ATOM 1525 NE2 GLN A 191 84.957 38.186 25.808 1.00 59.67 N
ATOM 1526 C GLN A 191 84.049 40.558 21.833 1.00 51.92 C
ATOM 1527 O GLN A 191 85.156 40.936 21.417 1.00 52.54 O
ATOM 1528 N LEU A 192 82.902 41.059 21.388 1.00 51.96 N
ATOM 1529 CA LEU A 192 82.828 42.130 20.400 1.00 51.83 C
ATOM 1530 CB LEU A 192 81.364 42.518 20.132 1.00 50.87 C
ATOM 1531 CG LEU A 192 80.575 41.650 19.163 1.00 48.17 C
ATOM 1532 CD1 LEU A 192 79.121 41.921 19.235 1.00 39.49 C
ATOM 1533 CD2 LEU A 192 81.074 41.645 17.713 1.00 45.34 C
ATOM 1534 C LEU A 192 83.636 43.392 20.729 1.00 52.98 C
ATOM 1535 O LEU A 192 84.202 43.993 19.815 1.00 52.62 O
ATOM 1536 N PRO A 193 83.652 43.847 22.005 1.00 54.59 N
ATOM 1537 CA PRO A 193 84.611 44.989 22.295 1.00 55.78 C
ATOM 1538 CB PRO A 193 84.322 45.339 23.754 1.00 55.16 C
ATOM 1539 CG PRO A 193 82.822 44.816 23.999 1.00 54.57 C
ATOM 1540 CD PRO A 193 82.811 43.511 23.177 1.00 54.51 C
ATOM 1541 C PRO A 193 86.135 44.701 22.045 1.00 57.30 C
ATOM 1542 O PRO A 193 86.925 45.628 21.862 1.00 57.13 O
ATOM 1543 N ASN A 194 86.538 43.433 21.961 1.00 59.15 N
ATOM 1544 CA ASN A 194 87.974 43.129 21.950 1.00 60.64 C
ATOM 1545 CB ASN A 194 88.306 42.157 23.094 1.00 60.64 C
ATOM 1546 CG ASN A 194 87.446 42.415 24.351 1.00 62.28 C
ATOM 1547 OD1 ASN A 194 87.225 43.562 24.749 1.00 64.67 O
ATOM 1548 ND2 ASN A 194 86.926 41.348 24.945 1.00 64.15 N
ATOM 1549 C ASN A 194 88.497 42.661 20.592 1.00 61.42 C
ATOM 1550 O ASN A 194 89.543 42.025 20.519 1.00 61.71 O
ATOM 1551 N ILE A 195 87.776 43.002 19.518 1.00 62.46 N
ATOM 1552 CA ILE A 195 88.149 42.595 18.156 1.00 63.71 C
ATOM 1553 CB ILE A 195 86.956 42.714 17.159 1.00 63.07 C
ATOM 1554 CG1 ILE A 195 86.348 44.112 17.218 1.00 63.01 C
ATOM 1555 CD1 ILE A 195 85.037 44.283 16.436 1.00 63.97 C
ATOM 1556 CG2 ILE A 195 85.910 41.620 17.400 1.00 62.41 C
ATOM 1557 C ILE A 195 89.314 43.442 17.647 1.00 65.05 C
ATOM 1558 O ILE A 195 89.363 44.637 17.958 1.00 65.49 O
ATOM 1559 N ASP A 196 90.234 42.839 16.873 1.00 66.60 N
ATOM 1560 CA ASP A 196 91.309 43.587 16.200 1.00 67.55 C
ATOM 1561 CB ASP A 196 92.163 42.691 15.295 1.00 68.05 C
ATOM 1562 CG ASP A 196 91.343 41.900 14.259 1.00 68.78 C
ATOM 1563 OD1 ASP A 196 90.951 42.471 13.209 1.00 66.62 O
ATOM 1564 OD2 ASP A 196 91.137 40.679 14.480 1.00 71.26 O
ATOM 1565 C ASP A 196 90.716 44.780 15.409 1.00 68.37 C
ATOM 1566 O ASP A 196 89.516 44.765 15.063 1.00 68.75 O
ATOM 1567 N ALA A 197 91.529 45.814 15.148 1.00 68.05 N
ATOM 1568 CA ALA A 197 91.018 47.017 14.492 1.00 67.48 C
ATOM 1569 CB ALA A 197 92.030 48.171 14.571 1.00 68.24 C
ATOM 1570 C ALA A 197 90.551 46.733 13.044 1.00 67.05 C
ATOM 1571 O ALA A 197 89.564 47.323 12.589 1.00 66.83 O
ATOM 1572 N GLY A 198 91.232 45.826 12.341 1.00 66.02 N
ATOM 1573 CA GLY A 198 90.697 45.273 11.086 1.00 65.99 C
ATOM 1574 C GLY A 198 89.226 44.795 11.115 1.00 65.89 C
ATOM 1575 O GLY A 198 88.464 45.037 10.167 1.00 66.56 O
ATOM 1576 N ARG A 199 88.815 44.132 12.197 1.00 64.64 N
ATOM 1577 CA ARG A 199 87.435 43.632 12.353 1.00 63.77 C
ATOM 1578 CB ARG A 199 87.449 42.483 13.380 1.00 63.39 C
ATOM 1579 CG ARG A 199 86.402 41.365 13.269 1.00 64.48 C
ATOM 1580 CD ARG A 199 86.948 39.966 12.833 1.00 65.93 C
ATOM 1581 NE ARG A 199 86.918 39.819 11.367 1.00 67.23 N
ATOM 1582 CZ ARG A 199 87.334 38.766 10.647 1.00 65.59 C
ATOM 1583 NH1 ARG A 199 87.825 37.678 11.211 1.00 63.83 N
ATOM 1584 NH2 ARG A 199 87.249 38.815 9.328 1.00 64.51 N
ATOM 1585 C ARG A 199 86.510 44.811 12.776 1.00 63.00 C
ATOM 1586 O ARG A 199 85.314 44.869 12.457 1.00 62.68 O
ATOM 1587 N HIS A 200 87.098 45.770 13.475 1.00 61.97 N
ATOM 1588 CA HIS A 200 86.404 46.953 13.947 1.00 61.25 C
ATOM 1589 CB HIS A 200 87.423 47.763 14.764 1.00 61.79 C
ATOM 1590 CG HIS A 200 86.869 48.341 16.029 1.00 65.35 C
ATOM 1591 ND1 HIS A 200 86.840 49.705 16.277 1.00 69.89 N
ATOM 1592 CE1 HIS A 200 86.288 49.922 17.463 1.00 71.49 C
ATOM 1593 NE2 HIS A 200 85.950 48.749 17.986 1.00 71.14 N
ATOM 1594 CD2 HIS A 200 86.303 47.745 17.110 1.00 67.61 C
ATOM 1595 C HIS A 200 85.819 47.815 12.783 1.00 60.36 C
ATOM 1596 O HIS A 200 84.685 48.364 12.833 1.00 59.57 O
ATOM 1597 N VAL A 201 86.639 47.958 11.750 1.00 58.97 N
ATOM 1598 CA VAL A 201 86.311 48.752 10.583 1.00 57.09 C
ATOM 1599 CB VAL A 201 87.612 49.060 9.681 1.00 57.58 C
ATOM 1600 CG1 VAL A 201 87.257 49.691 8.335 1.00 57.50 C
ATOM 1601 CG2 VAL A 201 88.644 49.963 10.427 1.00 56.86 C
ATOM 1602 C VAL A 201 85.212 47.992 9.829 1.00 55.66 C
ATOM 1603 O VAL A 201 84.244 48.612 9.369 1.00 54.80 O
ATOM 1604 N GLU A 202 85.340 46.661 9.730 1.00 53.65 N
ATOM 1605 CA GLU A 202 84.326 45.900 9.013 1.00 52.50 C
ATOM 1606 CB GLU A 202 84.596 44.404 9.002 1.00 52.88 C
ATOM 1607 CG GLU A 202 85.758 43.910 8.216 1.00 54.97 C
ATOM 1608 CD GLU A 202 86.063 42.503 8.653 1.00 62.66 C
ATOM 1609 OE1 GLU A 202 85.674 41.549 7.944 1.00 63.29 O
ATOM 1610 OE2 GLU A 202 86.611 42.345 9.774 1.00 65.64 O
ATOM 1611 C GLU A 202 82.988 46.134 9.692 1.00 51.46 C
ATOM 1612 O GLU A 202 81.986 46.331 9.027 1.00 51.98 O
ATOM 1613 N LEU A 203 82.967 46.128 11.022 1.00 49.79 N
ATOM 1614 CA LEU A 203 81.713 46.280 11.749 1.00 48.22 C
ATOM 1615 CB LEU A 203 81.826 45.757 13.186 1.00 48.03 C
ATOM 1616 CG LEU A 203 80.696 45.982 14.219 1.00 48.47 C
ATOM 1617 CD1 LEU A 203 79.372 45.305 13.859 1.00 46.37 C
ATOM 1618 CD2 LEU A 203 81.134 45.549 15.589 1.00 46.22 C
ATOM 1619 C LEU A 203 81.151 47.718 11.662 1.00 47.97 C
ATOM 1620 O LEU A 203 79.940 47.856 11.526 1.00 47.43 O
ATOM 1621 N ILE A 204 81.999 48.767 11.732 1.00 48.11 N
ATOM 1622 CA ILE A 204 81.513 50.175 11.583 1.00 47.70 C
ATOM 1623 CB ILE A 204 82.680 51.248 11.513 1.00 48.19 C
ATOM 1624 CG1 ILE A 204 83.439 51.443 12.844 1.00 47.00 C
ATOM 1625 CD1 ILE A 204 82.596 51.243 14.007 1.00 46.83 C
ATOM 1626 CG2 ILE A 204 82.179 52.620 11.012 1.00 47.34 C
ATOM 1627 C ILE A 204 80.748 50.211 10.234 1.00 47.97 C
ATOM 1628 O ILE A 204 79.607 50.737 10.125 1.00 47.39 O
ATOM 1629 N GLU A 205 81.371 49.592 9.223 1.00 46.92 N
ATOM 1630 CA GLU A 205 80.850 49.656 7.874 1.00 47.15 C
ATOM 1631 CB GLU A 205 81.829 49.027 6.871 1.00 46.21 C
ATOM 1632 CG GLU A 205 81.571 49.550 5.425 1.00 49.78 C
ATOM 1633 CD GLU A 205 82.188 48.695 4.301 1.00 50.89 C
ATOM 1634 OE1 GLU A 205 83.414 48.886 4.076 1.00 55.10 O
ATOM 1635 OE2 GLU A 205 81.444 47.883 3.640 1.00 50.48 O
ATOM 1636 C GLU A 205 79.473 48.976 7.777 1.00 45.14 C
ATOM 1637 O GLU A 205 78.535 49.525 7.176 1.00 44.86 O
ATOM 1638 N ALA A 206 79.376 47.788 8.365 1.00 42.95 N
ATOM 1639 CA ALA A 206 78.165 47.063 8.308 1.00 42.31 C
ATOM 1640 CB ALA A 206 78.370 45.635 8.844 1.00 42.60 C
ATOM 1641 C ALA A 206 77.060 47.807 9.073 1.00 41.99 C
ATOM 1642 O ALA A 206 75.924 47.807 8.647 1.00 42.25 O
ATOM 1643 N ILE A 207 77.374 48.451 10.188 1.00 42.32 N
ATOM 1644 CA ILE A 207 76.314 49.125 10.935 1.00 42.46 C
ATOM 1645 CB ILE A 207 76.695 49.521 12.403 1.00 44.71 C
ATOM 1646 CG1 ILE A 207 76.963 48.236 13.260 1.00 40.14 C
ATOM 1647 CD1 ILE A 207 77.501 48.506 14.637 1.00 39.06 C
ATOM 1648 CG2 ILE A 207 75.549 50.307 13.006 1.00 39.34 C
ATOM 1649 C ILE A 207 75.732 50.324 10.171 1.00 42.83 C
ATOM 1650 O ILE A 207 74.495 50.493 10.096 1.00 41.37 O
ATOM 1651 N ALA A 208 76.644 51.092 9.582 1.00 42.42 N
ATOM 1652 CA ALA A 208 76.328 52.184 8.624 1.00 43.37 C
ATOM 1653 CB ALA A 208 77.601 52.733 7.988 1.00 41.98 C
ATOM 1654 C ALA A 208 75.363 51.739 7.513 1.00 44.08 C
ATOM 1655 O ALA A 208 74.401 52.475 7.193 1.00 44.33 O
ATOM 1656 N ASN A 209 75.631 50.549 6.934 1.00 42.86 N
ATOM 1657 CA ASN A 209 74.831 50.032 5.865 1.00 42.15 C
ATOM 1658 CB ASN A 209 75.436 48.740 5.287 1.00 41.27 C
ATOM 1659 CG ASN A 209 76.577 48.991 4.285 1.00 45.22 C
ATOM 1660 OD1 ASN A 209 76.816 50.120 3.757 1.00 44.53 O
ATOM 1661 ND2 ASN A 209 77.283 47.905 3.980 1.00 43.41 N
ATOM 1662 C ASN A 209 73.445 49.759 6.443 1.00 42.10 C
ATOM 1663 O ASN A 209 72.426 50.074 5.792 1.00 42.00 O
ATOM 1664 N GLU A 210 73.392 49.175 7.646 1.00 41.00 N
ATOM 1665 CA GLU A 210 72.091 48.966 8.314 1.00 41.51 C
ATOM 1666 CB GLU A 210 72.199 48.062 9.545 1.00 40.83 C
ATOM 1667 CG GLU A 210 70.924 47.836 10.356 1.00 42.26 C
ATOM 1668 CD GLU A 210 71.105 46.728 11.366 1.00 42.20 C
ATOM 1669 OE1 GLU A 210 71.575 46.972 12.480 1.00 39.62 O
ATOM 1670 OE2 GLU A 210 70.810 45.570 11.027 1.00 50.38 O
ATOM 1671 C GLU A 210 71.397 50.337 8.646 1.00 40.86 C
ATOM 1672 O GLU A 210 70.167 50.438 8.650 1.00 41.16 O
ATOM 1673 N TYR A 211 72.173 51.383 8.841 1.00 39.98 N
ATOM 1674 CA TYR A 211 71.543 52.692 9.041 1.00 40.56 C
ATOM 1675 CB TYR A 211 72.531 53.675 9.645 1.00 40.94 C
ATOM 1676 CG TYR A 211 72.749 53.480 11.124 1.00 40.51 C
ATOM 1677 CD1 TYR A 211 72.108 52.423 11.832 1.00 41.11 C
ATOM 1678 CE1 TYR A 211 72.336 52.175 13.208 1.00 39.70 C
ATOM 1679 CZ TYR A 211 73.239 53.033 13.876 1.00 44.92 C
ATOM 1680 OH TYR A 211 73.475 52.898 15.243 1.00 43.10 O
ATOM 1681 CE2 TYR A 211 73.881 54.104 13.176 1.00 42.75 C
ATOM 1682 CD2 TYR A 211 73.639 54.286 11.804 1.00 40.98 C
ATOM 1683 C TYR A 211 70.973 53.222 7.719 1.00 40.94 C
ATOM 1684 O TYR A 211 69.879 53.810 7.678 1.00 39.37 O
ATOM 1685 N LEU A 212 71.696 52.952 6.618 1.00 41.95 N
ATOM 1686 CA LEU A 212 71.254 53.441 5.349 1.00 42.21 C
ATOM 1687 CB LEU A 212 72.282 53.244 4.259 1.00 42.40 C
ATOM 1688 CG LEU A 212 71.712 53.733 2.930 1.00 41.09 C
ATOM 1689 CD1 LEU A 212 71.403 55.280 2.884 1.00 40.92 C
ATOM 1690 CD2 LEU A 212 72.619 53.249 1.787 1.00 42.27 C
ATOM 1691 C LEU A 212 69.944 52.741 5.050 1.00 43.43 C
ATOM 1692 O LEU A 212 68.969 53.411 4.686 1.00 42.89 O
ATOM 1693 N GLU A 213 69.912 51.428 5.289 1.00 43.46 N
ATOM 1694 CA GLU A 213 68.726 50.663 5.037 1.00 46.96 C
ATOM 1695 CB GLU A 213 68.964 49.156 5.320 1.00 46.24 C
ATOM 1696 CG GLU A 213 67.687 48.271 5.239 1.00 52.58 C
ATOM 1697 CD GLU A 213 67.974 46.746 4.953 1.00 55.38 C
ATOM 1698 OE1 GLU A 213 67.023 45.976 4.584 1.00 63.28 O
ATOM 1699 OE2 GLU A 213 69.164 46.318 5.077 1.00 65.82 O
ATOM 1700 C GLU A 213 67.552 51.282 5.819 1.00 45.36 C
ATOM 1701 O GLU A 213 66.451 51.532 5.259 1.00 46.07 O
ATOM 1702 N HIS A 214 67.791 51.590 7.093 1.00 43.83 N
ATOM 1703 CA HIS A 214 66.761 52.242 7.883 1.00 42.35 C
ATOM 1704 CB HIS A 214 67.162 52.282 9.363 1.00 42.82 C
ATOM 1705 CG HIS A 214 66.088 52.844 10.247 1.00 42.48 C
ATOM 1706 ND1 HIS A 214 64.875 52.209 10.432 1.00 42.35 N
ATOM 1707 CE1 HIS A 214 64.121 52.960 11.212 1.00 41.90 C
ATOM 1708 NE2 HIS A 214 64.793 54.059 11.517 1.00 40.14 N
ATOM 1709 CD2 HIS A 214 66.030 54.003 10.945 1.00 38.50 C
ATOM 1710 C HIS A 214 66.356 53.652 7.365 1.00 41.80 C
ATOM 1711 O HIS A 214 65.156 53.975 7.334 1.00 42.36 O
ATOM 1712 N ALA A 215 67.327 54.478 6.973 1.00 40.43 N
ATOM 1713 CA ALA A 215 67.038 55.840 6.436 1.00 40.37 C
ATOM 1714 CB ALA A 215 68.336 56.647 6.234 1.00 39.05 C
ATOM 1715 C ALA A 215 66.199 55.791 5.123 1.00 40.32 C
ATOM 1716 O ALA A 215 65.268 56.640 4.883 1.00 38.66 O
ATOM 1717 N LEU A 216 66.495 54.779 4.304 1.00 38.64 N
ATOM 1718 CA LEU A 216 65.649 54.510 3.148 1.00 39.59 C
ATOM 1719 CB LEU A 216 66.248 53.452 2.229 1.00 39.26 C
ATOM 1720 CG LEU A 216 67.479 53.914 1.434 1.00 38.41 C
ATOM 1721 CD1 LEU A 216 68.180 52.674 0.935 1.00 38.71 C
ATOM 1722 CD2 LEU A 216 67.102 54.842 0.263 1.00 34.07 C
ATOM 1723 C LEU A 216 64.181 54.176 3.521 1.00 41.22 C
ATOM 1724 O LEU A 216 63.283 54.719 2.861 1.00 42.69 O
ATOM 1725 N SER A 217 63.930 53.350 4.551 1.00 40.73 N
ATOM 1726 CA SER A 217 62.560 53.125 5.048 1.00 42.08 C
ATOM 1727 CB SER A 217 62.592 52.165 6.216 1.00 41.91 C
ATOM 1728 OG SER A 217 62.900 50.914 5.686 1.00 48.26 O
ATOM 1729 C SER A 217 61.928 54.388 5.589 1.00 42.25 C
ATOM 1730 O SER A 217 60.729 54.612 5.454 1.00 42.35 O
ATOM 1731 N GLN A 218 62.740 55.197 6.266 1.00 41.92 N
ATOM 1732 CA GLN A 218 62.215 56.402 6.835 1.00 41.53 C
ATOM 1733 CB GLN A 218 63.265 57.110 7.716 1.00 42.26 C
ATOM 1734 CG GLN A 218 63.432 56.434 9.081 1.00 38.46 C
ATOM 1735 CD GLN A 218 64.647 56.933 9.893 1.00 41.45 C
ATOM 1736 OE1 GLN A 218 65.808 56.942 9.408 1.00 39.87 O
ATOM 1737 NE2 GLN A 218 64.386 57.352 11.141 1.00 39.61 N
ATOM 1738 C GLN A 218 61.632 57.266 5.714 1.00 41.03 C
ATOM 1739 O GLN A 218 60.544 57.823 5.853 1.00 41.57 O
ATOM 1740 N GLU A 219 62.304 57.275 4.577 1.00 41.19 N
ATOM 1741 CA GLU A 219 61.915 58.068 3.377 1.00 40.95 C
ATOM 1742 CB GLU A 219 63.034 58.086 2.343 1.00 38.58 C
ATOM 1743 CG GLU A 219 64.245 58.974 2.820 1.00 42.41 C
ATOM 1744 CD GLU A 219 63.985 60.496 2.725 1.00 43.05 C
ATOM 1745 OE1 GLU A 219 64.683 61.296 3.350 1.00 39.85 O
ATOM 1746 OE2 GLU A 219 63.066 60.905 1.996 1.00 49.13 O
ATOM 1747 C GLU A 219 60.624 57.564 2.755 1.00 41.15 C
ATOM 1748 O GLU A 219 59.832 58.346 2.311 1.00 40.41 O
ATOM 1749 N ARG A 220 60.404 56.254 2.780 1.00 41.69 N
ATOM 1750 CA ARG A 220 59.173 55.689 2.276 1.00 41.93 C
ATOM 1751 CB ARG A 220 59.313 54.194 2.004 1.00 41.85 C
ATOM 1752 CG ARG A 220 60.367 53.811 1.036 1.00 43.68 C
ATOM 1753 CD ARG A 220 60.144 52.334 0.651 1.00 48.18 C
ATOM 1754 NE ARG A 220 60.359 51.465 1.818 1.00 48.25 N
ATOM 1755 CZ ARG A 220 61.544 50.932 2.169 1.00 48.62 C
ATOM 1756 NH1 ARG A 220 62.670 51.162 1.449 1.00 40.97 N
ATOM 1757 NH2 ARG A 220 61.601 50.166 3.264 1.00 50.12 N
ATOM 1758 C ARG A 220 58.040 55.898 3.299 1.00 42.57 C
ATOM 1759 O ARG A 220 56.992 56.392 2.949 1.00 42.99 O
ATOM 1760 N ASP A 221 58.223 55.534 4.560 1.00 42.08 N
ATOM 1761 CA ASP A 221 57.045 55.457 5.406 1.00 42.22 C
ATOM 1762 CB ASP A 221 57.094 54.127 6.181 1.00 42.60 C
ATOM 1763 CG ASP A 221 57.380 52.890 5.224 1.00 44.62 C
ATOM 1764 OD1 ASP A 221 56.764 52.865 4.122 1.00 40.50 O
ATOM 1765 OD2 ASP A 221 58.232 51.997 5.552 1.00 44.90 O
ATOM 1766 C ASP A 221 56.728 56.758 6.250 1.00 42.88 C
ATOM 1767 O ASP A 221 55.627 56.890 6.858 1.00 42.87 O
ATOM 1768 N PHE A 222 57.685 57.705 6.264 1.00 41.47 N
ATOM 1769 CA PHE A 222 57.446 59.014 6.792 1.00 41.85 C
ATOM 1770 CB PHE A 222 58.630 59.936 6.621 1.00 42.21 C
ATOM 1771 CG PHE A 222 59.651 59.857 7.740 1.00 44.36 C
ATOM 1772 CD1 PHE A 222 60.889 60.537 7.614 1.00 45.58 C
ATOM 1773 CE1 PHE A 222 61.815 60.463 8.611 1.00 43.07 C
ATOM 1774 CZ PHE A 222 61.529 59.720 9.774 1.00 42.72 C
ATOM 1775 CE2 PHE A 222 60.325 59.040 9.914 1.00 39.82 C
ATOM 1776 CD2 PHE A 222 59.406 59.088 8.899 1.00 41.58 C
ATOM 1777 C PHE A 222 56.234 59.654 6.189 1.00 41.52 C
ATOM 1778 O PHE A 222 56.045 59.653 4.977 1.00 43.42 O
ATOM 1779 N PRO A 223 55.386 60.207 7.039 1.00 41.68 N
ATOM 1780 CA PRO A 223 54.305 61.090 6.611 1.00 41.65 C
ATOM 1781 CB PRO A 223 53.588 61.407 7.933 1.00 41.06 C
ATOM 1782 CG PRO A 223 54.683 61.271 8.928 1.00 41.14 C
ATOM 1783 CD PRO A 223 55.398 60.043 8.492 1.00 40.38 C
ATOM 1784 C PRO A 223 54.855 62.381 5.983 1.00 41.48 C
ATOM 1785 O PRO A 223 55.979 62.819 6.295 1.00 41.25 O
ATOM 1786 N GLN A 224 54.076 62.958 5.081 1.00 41.35 N
ATOM 1787 CA GLN A 224 54.469 64.222 4.506 1.00 41.91 C
ATOM 1788 CB GLN A 224 54.090 64.301 3.029 1.00 40.98 C
ATOM 1789 CG GLN A 224 54.779 63.227 2.135 1.00 39.44 C
ATOM 1790 CD GLN A 224 54.424 63.366 0.638 1.00 41.61 C
ATOM 1791 OE1 GLN A 224 53.251 63.489 0.269 1.00 40.59 O
ATOM 1792 NE2 GLN A 224 55.444 63.342 -0.230 1.00 42.71 N
ATOM 1793 C GLN A 224 53.762 65.275 5.304 1.00 42.36 C
ATOM 1794 O GLN A 224 52.583 65.514 5.072 1.00 42.30 O
ATOM 1795 N TRP A 225 54.485 65.909 6.218 1.00 42.48 N
ATOM 1796 CA TRP A 225 53.907 66.924 7.137 1.00 43.67 C
ATOM 1797 CB TRP A 225 54.782 67.170 8.406 1.00 42.50 C
ATOM 1798 CG TRP A 225 54.039 67.782 9.497 1.00 41.74 C
ATOM 1799 CD1 TRP A 225 53.771 69.131 9.672 1.00 43.27 C
ATOM 1800 NE1 TRP A 225 52.987 69.315 10.791 1.00 43.24 N
ATOM 1801 CE2 TRP A 225 52.712 68.089 11.358 1.00 42.48 C
ATOM 1802 CD2 TRP A 225 53.355 67.093 10.560 1.00 42.71 C
ATOM 1803 CE3 TRP A 225 53.248 65.724 10.940 1.00 42.07 C
ATOM 1804 CZ3 TRP A 225 52.509 65.391 12.081 1.00 42.92 C
ATOM 1805 CH2 TRP A 225 51.856 66.409 12.862 1.00 42.74 C
ATOM 1806 CZ2 TRP A 225 51.955 67.761 12.518 1.00 42.56 C
ATOM 1807 C TRP A 225 53.708 68.225 6.391 1.00 44.96 C
ATOM 1808 O TRP A 225 54.644 68.743 5.742 1.00 44.89 O
ATOM 1809 N PRO A 226 52.497 68.796 6.510 1.00 47.20 N
ATOM 1810 CA PRO A 226 52.190 70.022 5.750 1.00 48.37 C
ATOM 1811 CB PRO A 226 50.680 70.152 5.911 1.00 48.69 C
ATOM 1812 CG PRO A 226 50.406 69.540 7.321 1.00 47.90 C
ATOM 1813 CD PRO A 226 51.382 68.363 7.388 1.00 46.91 C
ATOM 1814 C PRO A 226 52.931 71.256 6.307 1.00 50.39 C
ATOM 1815 O PRO A 226 52.927 71.494 7.527 1.00 51.05 O
ATOM 1816 N GLU A 227 53.557 72.035 5.415 1.00 53.09 N
ATOM 1817 CA GLU A 227 54.375 73.215 5.811 1.00 54.71 C
ATOM 1818 CB GLU A 227 55.788 73.178 5.190 1.00 55.17 C
ATOM 1819 CG GLU A 227 56.626 71.931 5.451 1.00 53.24 C
ATOM 1820 CD GLU A 227 57.920 71.912 4.628 1.00 54.57 C
ATOM 1821 OE1 GLU A 227 58.669 70.895 4.769 1.00 54.83 O
ATOM 1822 OE2 GLU A 227 58.170 72.879 3.843 1.00 49.11 O
ATOM 1823 C GLU A 227 53.694 74.539 5.415 1.00 55.82 C
ATOM 1824 O GLU A 227 53.411 75.376 6.288 1.00 56.81 O
HETATM 1825 CL CL 301 69.981 62.895 13.877 1.00 61.65 CL
HETATM 1826 O3P AMP 401 58.491 53.163 14.203 1.00 34.89 O
HETATM 1827 P AMP 401 59.916 53.370 14.494 1.00 33.08 P
HETATM 1828 O1P AMP 401 60.021 54.021 15.922 1.00 34.59 O
HETATM 1829 O2P AMP 401 60.806 54.064 13.532 1.00 31.11 O
HETATM 1830 O5* AMP 401 60.538 51.890 14.801 1.00 37.08 O
HETATM 1831 C5* AMP 401 60.677 50.898 13.793 1.00 39.27 C
HETATM 1832 C4* AMP 401 62.068 50.238 13.834 1.00 37.18 C
HETATM 1833 C3* AMP 401 62.413 49.799 15.237 1.00 35.81 C
HETATM 1834 O3* AMP 401 61.857 48.582 15.497 1.00 34.73 O
HETATM 1835 C2* AMP 401 63.899 49.737 15.378 1.00 33.78 C
HETATM 1836 O2* AMP 401 64.492 48.563 14.796 1.00 32.48 O
HETATM 1837 C1* AMP 401 64.184 50.925 14.473 1.00 33.19 C
HETATM 1838 O4* AMP 401 63.080 51.186 13.600 1.00 37.49 O
HETATM 1839 N9 AMP 401 64.457 52.113 15.272 1.00 32.06 N
HETATM 1840 C4 AMP 401 65.633 52.315 15.862 1.00 32.45 C
HETATM 1841 C5 AMP 401 65.555 53.653 16.458 1.00 31.21 C
HETATM 1842 N7 AMP 401 64.309 54.097 16.196 1.00 33.54 N
HETATM 1843 C8 AMP 401 63.639 53.160 15.459 1.00 33.68 C
HETATM 1844 N3 AMP 401 66.775 51.564 15.957 1.00 31.48 N
HETATM 1845 C2 AMP 401 67.832 52.015 16.634 1.00 31.91 C
HETATM 1846 N1 AMP 401 67.793 53.203 17.278 1.00 33.17 N
HETATM 1847 C6 AMP 401 66.749 54.085 17.236 1.00 29.80 C
HETATM 1848 N6 AMP 401 66.828 55.253 17.915 1.00 29.38 N
HETATM 1849 O HOH 1 58.268 61.955 30.042 1.00 22.65 O
HETATM 1850 O HOH 2 66.313 50.548 29.243 1.00 33.20 O
HETATM 1851 O HOH 3 62.895 55.121 13.166 1.00 29.02 O
HETATM 1852 O HOH 4 58.771 65.812 31.295 1.00 21.28 O
HETATM 1853 O HOH 5 60.938 59.821 23.678 1.00 27.05 O
HETATM 1854 O HOH 6 61.182 52.236 24.510 1.00 27.93 O
HETATM 1855 O HOH 7 59.378 72.739 30.480 1.00 37.33 O
HETATM 1856 O HOH 8 69.532 62.822 26.580 1.00 33.93 O
HETATM 1857 O HOH 9 61.829 54.931 17.584 1.00 25.14 O
HETATM 1858 O HOH 10 74.005 58.178 21.065 1.00 38.31 O
HETATM 1859 O HOH 11 61.173 71.303 5.178 1.00 35.98 O
HETATM 1860 O HOH 12 73.308 53.065 28.860 1.00 31.50 O
HETATM 1861 O HOH 13 66.671 79.640 17.848 1.00 33.95 O
HETATM 1862 O HOH 14 46.905 59.761 20.990 1.00 37.38 O
HETATM 1863 O HOH 15 62.500 62.788 30.229 1.00 22.35 O
HETATM 1864 O HOH 16 47.737 65.666 12.839 1.00 39.16 O
HETATM 1865 O HOH 17 59.358 47.977 18.141 1.00 40.32 O
HETATM 1866 O HOH 18 61.859 47.577 17.849 1.00 44.05 O
HETATM 1867 O HOH 19 64.702 49.308 8.300 1.00 40.98 O
HETATM 1868 O HOH 20 67.939 67.404 22.137 1.00 35.95 O
HETATM 1869 O HOH 21 62.908 60.227 31.034 1.00 27.99 O
HETATM 1870 O HOH 22 67.717 67.057 29.865 1.00 37.89 O
HETATM 1871 O HOH 23 65.029 59.841 16.664 1.00 33.81 O
HETATM 1872 O HOH 24 72.230 51.556 16.977 1.00 33.72 O
HETATM 1873 O HOH 25 68.104 69.267 24.375 1.00 39.03 O
HETATM 1874 O HOH 26 74.203 55.453 29.443 1.00 35.53 O
HETATM 1875 O HOH 27 77.448 60.671 -1.741 1.00 45.71 O
HETATM 1876 O HOH 28 60.206 63.686 31.399 1.00 30.34 O
HETATM 1877 O HOH 29 57.486 75.984 8.461 1.00 40.38 O
HETATM 1878 O HOH 30 66.061 57.961 13.611 1.00 36.72 O
HETATM 1879 O HOH 31 54.223 49.848 25.091 1.00 33.50 O
HETATM 1880 O HOH 32 64.060 57.067 15.264 1.00 28.25 O
HETATM 1881 O HOH 33 74.598 45.836 7.395 1.00 42.69 O
HETATM 1882 O HOH 34 71.773 42.614 10.452 1.00 43.80 O
HETATM 1883 O HOH 35 59.946 51.003 34.864 1.00 47.92 O
HETATM 1884 O HOH 36 76.447 41.872 9.975 1.00 53.93 O
HETATM 1885 O HOH 37 64.617 57.952 30.551 1.00 44.98 O
HETATM 1886 O HOH 38 49.783 56.082 27.730 1.00 48.87 O
HETATM 1887 O HOH 39 66.141 73.409 26.839 1.00 42.08 O
HETATM 1888 O HOH 40 70.687 68.620 31.256 1.00 49.33 O
HETATM 1889 O HOH 41 72.942 48.149 28.609 1.00 35.31 O
HETATM 1890 O HOH 42 68.457 53.244 12.452 1.00 45.51 O
HETATM 1891 O HOH 43 66.115 45.242 30.417 1.00 44.43 O
HETATM 1892 O HOH 44 57.318 68.629 5.928 1.00 43.62 O
HETATM 1893 O HOH 45 51.686 75.316 31.240 1.00 47.67 O
HETATM 1894 O HOH 46 59.795 59.800 0.000 0.50 37.29 O
[表2]DMASPP共存下において結晶化したtzsタンパク質の原子座標
HEADER ---- XX-XXX-XX xxxx
COMPND ---
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : REFMAC 5.2.0005
REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON
REMARK 3
REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 69.17
REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE
REMARK 3 COMPLETENESS FOR RANGE (%) : 96.92
REMARK 3 NUMBER OF REFLECTIONS : 17544
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING + TEST SET) : 0.19508
REMARK 3 R VALUE (WORKING SET) : 0.19214
REMARK 3 FREE R VALUE : 0.25443
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.1
REMARK 3 FREE R VALUE TEST SET COUNT : 942
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 20
REMARK 3 BIN RESOLUTION RANGE HIGH : 2.101
REMARK 3 BIN RESOLUTION RANGE LOW : 2.155
REMARK 3 REFLECTION IN BIN (WORKING SET) : 1069
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 82.59
REMARK 3 BIN R VALUE (WORKING SET) : 0.262
REMARK 3 BIN FREE R VALUE SET COUNT : 60
REMARK 3 BIN FREE R VALUE : 0.346
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 ALL ATOMS : 1887
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 54.562
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : 2.20
REMARK 3 B22 (A**2) : 2.20
REMARK 3 B33 (A**2) : -4.41
REMARK 3 B12 (A**2) : 0.00
REMARK 3 B13 (A**2) : 0.00
REMARK 3 B23 (A**2) : 0.00
REMARK 3
REMARK 3 ESTIMATED OVERALL COORDINATE ERROR.
REMARK 3 ESU BASED ON R VALUE (A): 0.180
REMARK 3 ESU BASED ON FREE R VALUE (A): 0.180
REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.174
REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 14.182
REMARK 3
REMARK 3 CORRELATION COEFFICIENTS.
REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.965
REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.946
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT
REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1894 ; 0.027 ; 0.021
REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2571 ; 2.605 ; 1.984
REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 225 ; 6.331 ; 5.000
REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 92 ;39.845 ;22.826
REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 322 ;19.770 ;15.000
REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 21 ;23.767 ;15.000
REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 275 ; 0.168 ; 0.200
REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1442 ; 0.010 ; 0.020
REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 851 ; 0.229 ; 0.200
REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1285 ; 0.318 ; 0.200
REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 69 ; 0.138 ; 0.200
REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 23 ; 0.186 ; 0.200
REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 3 ; 0.177 ; 0.200
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT
REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1165 ; 1.301 ; 1.500
REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1812 ; 2.030 ; 2.000
REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 847 ; 3.547 ; 3.000
REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 759 ; 5.164 ; 4.500
REMARK 3
REMARK 3 NCS RESTRAINTS STATISTICS
REMARK 3 NUMBER OF NCS GROUPS : NULL
REMARK 3
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS : 1
REMARK 3 ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY
REMARK 3
REMARK 3 TLS GROUP : 1
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 1 A 401
REMARK 3 ORIGIN FOR THE GROUP (A): 68.4283 58.6335 18.2525
REMARK 3 T TENSOR
REMARK 3 T11: 0.0330 T22: -0.2529
REMARK 3 T33: -0.1810 T12: -0.1167
REMARK 3 T13: 0.1054 T23: -0.0281
REMARK 3 L TENSOR
REMARK 3 L11: 2.8951 L22: 5.5800
REMARK 3 L33: 3.6156 L12: -1.9302
REMARK 3 L13: -1.7261 L23: 1.7144
REMARK 3 S TENSOR
REMARK 3 S11: 0.2160 S12: 0.3627 S13: 0.1217
REMARK 3 S21: -0.8700 S22: 0.0175 S23: -0.5033
REMARK 3 S31: -0.0481 S32: -0.2020 S33: -0.2335
REMARK 3
REMARK 3
REMARK 3 BULK SOLVENT MODELLING.
REMARK 3 METHOD USED : MASK
REMARK 3 PARAMETERS FOR MASK CALCULATION
REMARK 3 VDW PROBE RADIUS : 1.20
REMARK 3 ION PROBE RADIUS : 0.80
REMARK 3 SHRINKAGE RADIUS : 0.80
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
REMARK 3
CRYST1 97.933 97.933 65.325 90.00 90.00 90.00 P 42 21 2
SCALE1 0.010211 0.000000 0.000000 0.00000
SCALE2 0.000000 0.010211 0.000000 0.00000
SCALE3 0.000000 0.000000 0.015308 0.00000
ATOM 1 N MET A 1 52.725 79.361 21.624 1.00 59.66 N
ATOM 2 CA MET A 1 54.201 79.309 21.656 1.00 58.30 C
ATOM 3 CB MET A 1 54.651 78.373 22.781 1.00 59.10 C
ATOM 4 CG MET A 1 54.713 76.937 22.422 1.00 57.78 C
ATOM 5 SD MET A 1 55.479 75.889 23.688 1.00 59.79 S
ATOM 6 CE MET A 1 55.701 76.843 25.140 1.00 58.65 C
ATOM 7 C MET A 1 54.749 78.870 20.279 1.00 57.51 C
ATOM 8 O MET A 1 54.003 78.317 19.433 1.00 56.42 O
ATOM 9 N LEU A 2 56.041 79.154 20.056 1.00 56.50 N
ATOM 10 CA LEU A 2 56.753 78.750 18.833 1.00 55.73 C
ATOM 11 CB LEU A 2 57.809 79.782 18.441 1.00 55.76 C
ATOM 12 CG LEU A 2 58.608 79.473 17.167 1.00 55.64 C
ATOM 13 CD1 LEU A 2 57.873 80.103 16.023 1.00 56.61 C
ATOM 14 CD2 LEU A 2 59.984 80.086 17.224 1.00 56.32 C
ATOM 15 C LEU A 2 57.427 77.402 19.048 1.00 55.48 C
ATOM 16 O LEU A 2 58.177 77.237 20.007 1.00 55.46 O
ATOM 17 N LEU A 3 57.118 76.436 18.176 1.00 54.47 N
ATOM 18 CA LEU A 3 57.840 75.183 18.148 1.00 53.68 C
ATOM 19 CB LEU A 3 56.876 73.938 18.050 1.00 53.49 C
ATOM 20 CG LEU A 3 55.708 73.848 19.052 1.00 49.67 C
ATOM 21 CD1 LEU A 3 54.722 72.760 18.698 1.00 46.76 C
ATOM 22 CD2 LEU A 3 56.216 73.742 20.500 1.00 44.23 C
ATOM 23 C LEU A 3 58.832 75.225 16.991 1.00 52.89 C
ATOM 24 O LEU A 3 58.437 75.464 15.852 1.00 52.69 O
ATOM 25 N HIS A 4 60.115 75.013 17.277 1.00 51.39 N
ATOM 26 CA HIS A 4 61.085 74.926 16.218 1.00 50.15 C
ATOM 27 CB HIS A 4 62.410 75.515 16.658 1.00 50.17 C
ATOM 28 CG HIS A 4 63.379 75.683 15.534 1.00 52.84 C
ATOM 29 ND1 HIS A 4 63.810 76.911 15.102 1.00 56.38 N
ATOM 30 CE1 HIS A 4 64.642 76.759 14.087 1.00 56.44 C
ATOM 31 NE2 HIS A 4 64.752 75.469 13.832 1.00 55.73 N
ATOM 32 CD2 HIS A 4 63.967 74.774 14.717 1.00 56.71 C
ATOM 33 C HIS A 4 61.285 73.443 15.948 1.00 49.71 C
ATOM 34 O HIS A 4 61.909 72.786 16.749 1.00 50.81 O
ATOM 35 N LEU A 5 60.775 72.919 14.846 1.00 48.69 N
ATOM 36 CA LEU A 5 60.864 71.489 14.631 1.00 50.24 C
ATOM 37 CB LEU A 5 59.554 70.957 14.031 1.00 49.65 C
ATOM 38 CG LEU A 5 59.563 69.511 13.519 1.00 50.26 C
ATOM 39 CD1 LEU A 5 59.653 68.573 14.722 1.00 43.17 C
ATOM 40 CD2 LEU A 5 58.326 69.257 12.731 1.00 49.04 C
ATOM 41 C LEU A 5 62.062 71.152 13.751 1.00 50.40 C
ATOM 42 O LEU A 5 62.178 71.689 12.677 1.00 52.61 O
ATOM 43 N ILE A 6 62.941 70.269 14.191 1.00 50.52 N
ATOM 44 CA ILE A 6 64.068 69.871 13.389 1.00 50.32 C
ATOM 45 CB ILE A 6 65.399 70.204 14.070 1.00 50.81 C
ATOM 46 CG1 ILE A 6 65.594 71.723 14.199 1.00 49.27 C
ATOM 47 CD1 ILE A 6 66.594 72.113 15.236 1.00 46.75 C
ATOM 48 CG2 ILE A 6 66.576 69.574 13.279 1.00 50.53 C
ATOM 49 C ILE A 6 64.042 68.341 13.185 1.00 51.10 C
ATOM 50 O ILE A 6 64.215 67.594 14.130 1.00 51.80 O
ATOM 51 N TYR A 7 63.840 67.858 11.962 1.00 51.47 N
ATOM 52 CA TYR A 7 63.907 66.388 11.731 1.00 51.51 C
ATOM 53 CB TYR A 7 62.500 65.740 11.678 1.00 50.87 C
ATOM 54 CG TYR A 7 61.649 66.050 10.454 1.00 52.65 C
ATOM 55 CD1 TYR A 7 61.098 67.347 10.259 1.00 52.59 C
ATOM 56 CE1 TYR A 7 60.291 67.634 9.135 1.00 52.71 C
ATOM 57 CZ TYR A 7 60.022 66.617 8.212 1.00 54.00 C
ATOM 58 OH TYR A 7 59.236 66.918 7.111 1.00 54.63 O
ATOM 59 CE2 TYR A 7 60.543 65.315 8.390 1.00 52.94 C
ATOM 60 CD2 TYR A 7 61.343 65.043 9.513 1.00 49.74 C
ATOM 61 C TYR A 7 64.784 66.027 10.527 1.00 51.13 C
ATOM 62 O TYR A 7 65.121 66.882 9.731 1.00 49.16 O
ATOM 63 N GLY A 8 65.140 64.746 10.407 1.00 50.87 N
ATOM 64 CA GLY A 8 65.955 64.294 9.269 1.00 50.42 C
ATOM 65 C GLY A 8 66.659 62.981 9.653 1.00 50.80 C
ATOM 66 O GLY A 8 66.523 62.491 10.793 1.00 48.63 O
ATOM 67 N PRO A 9 67.411 62.402 8.701 1.00 50.29 N
ATOM 68 CA PRO A 9 67.945 61.115 9.028 1.00 49.96 C
ATOM 69 CB PRO A 9 68.488 60.622 7.656 1.00 50.79 C
ATOM 70 CG PRO A 9 68.804 61.933 6.895 1.00 48.69 C
ATOM 71 CD PRO A 9 67.690 62.808 7.295 1.00 49.66 C
ATOM 72 C PRO A 9 69.021 61.104 10.110 1.00 50.79 C
ATOM 73 O PRO A 9 69.529 62.136 10.544 1.00 51.20 O
ATOM 74 N THR A 10 69.375 59.893 10.513 1.00 51.67 N
ATOM 75 CA THR A 10 70.496 59.652 11.376 1.00 52.89 C
ATOM 76 CB THR A 10 70.774 58.097 11.502 1.00 52.96 C
ATOM 77 OG1 THR A 10 71.763 57.905 12.492 1.00 51.83 O
ATOM 78 CG2 THR A 10 71.240 57.486 10.200 1.00 49.48 C
ATOM 79 C THR A 10 71.719 60.381 10.931 1.00 54.40 C
ATOM 80 O THR A 10 71.942 60.535 9.717 1.00 57.94 O
ATOM 81 N CYS A 11 72.558 60.804 11.863 1.00 54.56 N
ATOM 82 CA CYS A 11 73.855 61.451 11.513 1.00 56.48 C
ATOM 83 CB CYS A 11 74.857 60.427 10.908 1.00 55.67 C
ATOM 84 SG CYS A 11 75.032 58.932 11.880 1.00 62.45 S
ATOM 85 C CYS A 11 73.774 62.677 10.589 1.00 55.86 C
ATOM 86 O CYS A 11 74.623 62.843 9.753 1.00 57.28 O
ATOM 87 N SER A 12 72.764 63.515 10.741 1.00 56.02 N
ATOM 88 CA SER A 12 72.624 64.730 9.959 1.00 55.10 C
ATOM 89 CB SER A 12 71.161 64.955 9.588 1.00 55.07 C
ATOM 90 OG SER A 12 70.818 64.179 8.467 1.00 58.91 O
ATOM 91 C SER A 12 73.005 65.972 10.719 1.00 55.40 C
ATOM 92 O SER A 12 72.731 67.050 10.229 1.00 54.24 O
ATOM 93 N GLY A 13 73.511 65.855 11.955 1.00 55.53 N
ATOM 94 CA GLY A 13 73.801 67.052 12.774 1.00 51.75 C
ATOM 95 C GLY A 13 72.563 67.707 13.407 1.00 51.73 C
ATOM 96 O GLY A 13 72.622 68.858 13.811 1.00 51.70 O
ATOM 97 N LYS A 14 71.450 67.001 13.563 1.00 51.82 N
ATOM 98 CA LYS A 14 70.248 67.627 14.094 1.00 51.35 C
ATOM 99 CB LYS A 14 69.068 66.639 14.094 1.00 50.24 C
ATOM 100 CG LYS A 14 68.642 66.107 12.746 1.00 49.02 C
ATOM 101 CD LYS A 14 67.498 65.166 12.918 1.00 49.38 C
ATOM 102 CE LYS A 14 67.752 63.949 13.822 1.00 48.89 C
ATOM 103 NZ LYS A 14 68.557 62.972 12.996 1.00 52.22 N
ATOM 104 C LYS A 14 70.505 68.127 15.522 1.00 51.97 C
ATOM 105 O LYS A 14 70.216 69.283 15.870 1.00 51.57 O
ATOM 106 N THR A 15 71.086 67.264 16.354 1.00 52.26 N
ATOM 107 CA THR A 15 71.352 67.634 17.733 1.00 52.61 C
ATOM 108 CB THR A 15 71.740 66.425 18.467 1.00 53.59 C
ATOM 109 OG1 THR A 15 70.681 65.527 18.212 1.00 51.53 O
ATOM 110 CG2 THR A 15 71.828 66.629 19.980 1.00 49.58 C
ATOM 111 C THR A 15 72.313 68.780 17.950 1.00 56.50 C
ATOM 112 O THR A 15 72.015 69.596 18.833 1.00 56.33 O
ATOM 113 N ASP A 16 73.421 68.883 17.175 1.00 56.47 N
ATOM 114 CA ASP A 16 74.350 69.973 17.377 1.00 59.04 C
ATOM 115 CB ASP A 16 75.621 69.924 16.473 1.00 60.32 C
ATOM 116 CG ASP A 16 76.382 68.610 16.560 1.00 63.98 C
ATOM 117 OD1 ASP A 16 76.576 68.084 17.686 1.00 67.21 O
ATOM 118 OD2 ASP A 16 76.811 68.113 15.490 1.00 69.50 O
ATOM 119 C ASP A 16 73.582 71.256 17.029 1.00 58.84 C
ATOM 120 O ASP A 16 73.768 72.299 17.668 1.00 59.00 O
ATOM 121 N MET A 17 72.741 71.161 15.990 1.00 58.00 N
ATOM 122 CA MET A 17 71.898 72.279 15.552 1.00 57.66 C
ATOM 123 CB MET A 17 71.079 71.853 14.328 1.00 56.61 C
ATOM 124 CG MET A 17 70.329 73.038 13.703 1.00 59.80 C
ATOM 125 SD MET A 17 69.810 72.614 12.026 1.00 64.76 S
ATOM 126 CE MET A 17 71.411 72.272 11.149 1.00 62.99 C
ATOM 127 C MET A 17 70.969 72.765 16.680 1.00 53.89 C
ATOM 128 O MET A 17 70.901 73.953 16.979 1.00 51.53 O
ATOM 129 N ALA A 18 70.259 71.799 17.275 1.00 50.51 N
ATOM 130 CA ALA A 18 69.294 71.980 18.348 1.00 48.74 C
ATOM 131 CB ALA A 18 68.730 70.620 18.758 1.00 46.95 C
ATOM 132 C ALA A 18 70.009 72.561 19.527 1.00 49.12 C
ATOM 133 O ALA A 18 69.506 73.449 20.192 1.00 46.42 O
ATOM 134 N ILE A 19 71.191 72.030 19.842 1.00 49.42 N
ATOM 135 CA ILE A 19 71.941 72.578 20.995 1.00 48.87 C
ATOM 136 CB ILE A 19 73.233 71.781 21.234 1.00 49.47 C
ATOM 137 CG1 ILE A 19 72.870 70.339 21.711 1.00 47.69 C
ATOM 138 CD1 ILE A 19 74.084 69.445 21.591 1.00 53.90 C
ATOM 139 CG2 ILE A 19 74.097 72.505 22.235 1.00 49.50 C
ATOM 140 C ILE A 19 72.259 74.017 20.724 1.00 48.26 C
ATOM 141 O ILE A 19 72.233 74.857 21.619 1.00 48.31 O
ATOM 142 N GLN A 20 72.555 74.337 19.476 1.00 48.01 N
ATOM 143 CA GLN A 20 72.992 75.730 19.213 1.00 49.03 C
ATOM 144 CB GLN A 20 73.563 75.818 17.832 1.00 48.62 C
ATOM 145 CG GLN A 20 74.097 77.225 17.562 1.00 54.65 C
ATOM 146 CD GLN A 20 74.675 77.287 16.181 1.00 62.04 C
ATOM 147 OE1 GLN A 20 75.209 76.264 15.656 1.00 65.16 O
ATOM 148 NE2 GLN A 20 74.591 78.481 15.559 1.00 64.82 N
ATOM 149 C GLN A 20 71.798 76.664 19.367 1.00 49.59 C
ATOM 150 O GLN A 20 71.894 77.782 19.963 1.00 50.41 O
ATOM 151 N ILE A 21 70.644 76.240 18.849 1.00 49.32 N
ATOM 152 CA ILE A 21 69.470 77.099 18.983 1.00 49.73 C
ATOM 153 CB ILE A 21 68.289 76.540 18.180 1.00 49.18 C
ATOM 154 CG1 ILE A 21 68.719 76.345 16.743 1.00 49.91 C
ATOM 155 CD1 ILE A 21 67.636 76.330 15.730 1.00 51.47 C
ATOM 156 CG2 ILE A 21 67.090 77.518 18.297 1.00 50.94 C
ATOM 157 C ILE A 21 69.076 77.270 20.464 1.00 50.54 C
ATOM 158 O ILE A 21 68.553 78.310 20.884 1.00 50.49 O
ATOM 159 N ALA A 22 69.315 76.216 21.244 1.00 49.38 N
ATOM 160 CA ALA A 22 68.949 76.207 22.661 1.00 50.62 C
ATOM 161 CB ALA A 22 68.966 74.700 23.213 1.00 47.32 C
ATOM 162 C ALA A 22 69.850 77.097 23.483 1.00 51.25 C
ATOM 163 O ALA A 22 69.444 77.775 24.410 1.00 51.20 O
ATOM 164 N GLN A 23 71.114 77.116 23.108 1.00 53.52 N
ATOM 165 CA GLN A 23 72.076 77.947 23.778 1.00 53.36 C
ATOM 166 CB GLN A 23 73.391 77.255 23.426 1.00 53.39 C
ATOM 167 CG GLN A 23 74.748 77.898 23.488 1.00 61.18 C
ATOM 168 CD GLN A 23 75.740 76.743 23.254 1.00 68.92 C
ATOM 169 OE1 GLN A 23 76.383 76.308 24.196 1.00 75.59 O
ATOM 170 NE2 GLN A 23 75.757 76.154 22.023 1.00 65.69 N
ATOM 171 C GLN A 23 71.856 79.446 23.415 1.00 53.39 C
ATOM 172 O GLN A 23 71.999 80.326 24.265 1.00 53.63 O
ATOM 173 N GLU A 24 71.405 79.743 22.202 1.00 52.11 N
ATOM 174 CA GLU A 24 70.930 81.080 21.850 1.00 51.08 C
ATOM 175 CB GLU A 24 70.746 81.142 20.344 1.00 50.92 C
ATOM 176 CG GLU A 24 72.098 81.294 19.587 1.00 53.68 C
ATOM 177 CD GLU A 24 72.014 80.814 18.112 1.00 52.40 C
ATOM 178 OE1 GLU A 24 73.099 80.328 17.505 1.00 51.20 O
ATOM 179 OE2 GLU A 24 70.842 80.908 17.581 1.00 55.97 O
ATOM 180 C GLU A 24 69.655 81.568 22.574 1.00 50.36 C
ATOM 181 O GLU A 24 69.622 82.694 23.154 1.00 51.52 O
ATOM 182 N THR A 25 68.608 80.734 22.535 1.00 49.32 N
ATOM 183 CA THR A 25 67.265 81.096 23.021 1.00 46.40 C
ATOM 184 CB THR A 25 66.127 80.359 22.209 1.00 46.55 C
ATOM 185 OG1 THR A 25 66.198 78.937 22.426 1.00 46.15 O
ATOM 186 CG2 THR A 25 66.192 80.604 20.692 1.00 47.83 C
ATOM 187 C THR A 25 67.052 80.734 24.500 1.00 45.71 C
ATOM 188 O THR A 25 66.288 81.416 25.187 1.00 43.67 O
ATOM 189 N GLY A 26 67.672 79.669 25.015 1.00 43.15 N
ATOM 190 CA GLY A 26 67.422 79.327 26.382 1.00 44.76 C
ATOM 191 C GLY A 26 66.341 78.226 26.452 1.00 49.40 C
ATOM 192 O GLY A 26 65.957 77.753 27.581 1.00 48.65 O
ATOM 193 N TRP A 27 65.858 77.740 25.285 1.00 50.29 N
ATOM 194 CA TRP A 27 64.674 76.860 25.309 1.00 49.52 C
ATOM 195 CB TRP A 27 63.811 77.009 24.043 1.00 49.72 C
ATOM 196 CG TRP A 27 63.357 78.410 23.720 1.00 49.75 C
ATOM 197 CD1 TRP A 27 63.229 79.463 24.608 1.00 49.46 C
ATOM 198 NE1 TRP A 27 62.781 80.600 23.958 1.00 45.58 N
ATOM 199 CE2 TRP A 27 62.590 80.304 22.629 1.00 48.92 C
ATOM 200 CD2 TRP A 27 62.924 78.922 22.440 1.00 50.71 C
ATOM 201 CE3 TRP A 27 62.778 78.359 21.161 1.00 49.17 C
ATOM 202 CZ3 TRP A 27 62.327 79.177 20.121 1.00 49.23 C
ATOM 203 CH2 TRP A 27 62.019 80.561 20.352 1.00 50.26 C
ATOM 204 CZ2 TRP A 27 62.137 81.126 21.581 1.00 48.26 C
ATOM 205 C TRP A 27 65.183 75.468 25.445 1.00 49.37 C
ATOM 206 O TRP A 27 66.322 75.194 25.077 1.00 49.44 O
ATOM 207 N PRO A 28 64.358 74.576 26.003 1.00 47.64 N
ATOM 208 CA PRO A 28 64.754 73.178 26.069 1.00 47.29 C
ATOM 209 CB PRO A 28 63.660 72.533 26.946 1.00 47.10 C
ATOM 210 CG PRO A 28 63.001 73.538 27.582 1.00 48.16 C
ATOM 211 CD PRO A 28 63.077 74.799 26.669 1.00 46.41 C
ATOM 212 C PRO A 28 64.584 72.558 24.725 1.00 47.60 C
ATOM 213 O PRO A 28 63.929 73.125 23.855 1.00 50.67 O
ATOM 214 N VAL A 29 65.138 71.381 24.536 1.00 47.71 N
ATOM 215 CA VAL A 29 65.015 70.720 23.296 1.00 47.32 C
ATOM 216 CB VAL A 29 66.383 70.351 22.733 1.00 46.78 C
ATOM 217 CG1 VAL A 29 66.232 69.249 21.597 1.00 48.35 C
ATOM 218 CG2 VAL A 29 67.139 71.542 22.273 1.00 48.00 C
ATOM 219 C VAL A 29 64.294 69.383 23.723 1.00 48.98 C
ATOM 220 O VAL A 29 64.760 68.707 24.637 1.00 49.15 O
ATOM 221 N VAL A 30 63.218 68.988 23.043 1.00 49.86 N
ATOM 222 CA VAL A 30 62.604 67.709 23.354 1.00 50.21 C
ATOM 223 CB VAL A 30 61.062 67.820 23.347 1.00 50.53 C
ATOM 224 CG1 VAL A 30 60.449 66.465 23.770 1.00 46.54 C
ATOM 225 CG2 VAL A 30 60.572 69.001 24.333 1.00 47.26 C
ATOM 226 C VAL A 30 63.086 66.745 22.280 1.00 50.73 C
ATOM 227 O VAL A 30 62.931 67.000 21.093 1.00 49.68 O
ATOM 228 N ALA A 31 63.596 65.599 22.695 1.00 51.43 N
ATOM 229 CA ALA A 31 64.086 64.565 21.777 1.00 48.12 C
ATOM 230 CB ALA A 31 64.974 63.710 22.494 1.00 47.08 C
ATOM 231 C ALA A 31 62.929 63.763 21.097 1.00 49.28 C
ATOM 232 O ALA A 31 62.137 63.084 21.751 1.00 50.09 O
ATOM 233 N LEU A 32 62.817 63.829 19.759 1.00 48.53 N
ATOM 234 CA LEU A 32 61.742 63.144 19.120 1.00 48.08 C
ATOM 235 CB LEU A 32 61.274 63.930 17.873 1.00 47.67 C
ATOM 236 CG LEU A 32 60.727 65.342 18.220 1.00 50.11 C
ATOM 237 CD1 LEU A 32 60.412 65.947 16.871 1.00 48.04 C
ATOM 238 CD2 LEU A 32 59.475 65.298 19.050 1.00 46.23 C
ATOM 239 C LEU A 32 62.288 61.759 18.777 1.00 48.36 C
ATOM 240 O LEU A 32 62.588 61.444 17.608 1.00 49.90 O
ATOM 241 N ASP A 33 62.534 60.973 19.788 1.00 47.76 N
ATOM 242 CA ASP A 33 63.249 59.738 19.561 1.00 49.18 C
ATOM 243 CB ASP A 33 64.802 59.960 19.577 1.00 48.19 C
ATOM 244 CG ASP A 33 65.606 58.721 19.100 1.00 52.37 C
ATOM 245 OD1 ASP A 33 65.467 57.616 19.714 1.00 52.94 O
ATOM 246 OD2 ASP A 33 66.424 58.904 18.142 1.00 52.00 O
ATOM 247 C ASP A 33 62.805 58.786 20.637 1.00 47.99 C
ATOM 248 O ASP A 33 62.877 59.058 21.841 1.00 50.91 O
ATOM 249 N ARG A 34 62.321 57.659 20.223 1.00 46.87 N
ATOM 250 CA ARG A 34 61.889 56.689 21.157 1.00 46.76 C
ATOM 251 CB ARG A 34 60.951 55.696 20.425 1.00 47.20 C
ATOM 252 CG ARG A 34 59.829 56.372 19.638 1.00 49.98 C
ATOM 253 CD ARG A 34 58.919 55.278 18.948 1.00 45.51 C
ATOM 254 NE ARG A 34 59.703 54.424 18.060 1.00 46.70 N
ATOM 255 CZ ARG A 34 59.719 53.074 18.119 1.00 52.78 C
ATOM 256 NH1 ARG A 34 59.026 52.444 19.035 1.00 48.76 N
ATOM 257 NH2 ARG A 34 60.440 52.326 17.276 1.00 48.70 N
ATOM 258 C ARG A 34 63.017 55.876 21.699 1.00 45.29 C
ATOM 259 O ARG A 34 62.992 55.516 22.873 1.00 45.04 O
ATOM 260 N VAL A 35 63.943 55.453 20.828 1.00 45.99 N
ATOM 261 CA VAL A 35 65.084 54.615 21.284 1.00 46.36 C
ATOM 262 CB VAL A 35 65.896 54.087 20.086 1.00 48.21 C
ATOM 263 CG1 VAL A 35 67.174 53.329 20.551 1.00 43.68 C
ATOM 264 CG2 VAL A 35 64.961 53.150 19.216 1.00 41.49 C
ATOM 265 C VAL A 35 65.949 55.302 22.305 1.00 48.95 C
ATOM 266 O VAL A 35 66.330 54.696 23.268 1.00 49.84 O
ATOM 267 N GLN A 36 66.126 56.611 22.166 1.00 48.64 N
ATOM 268 CA GLN A 36 66.925 57.388 23.133 1.00 48.84 C
ATOM 269 CB GLN A 36 67.083 58.791 22.613 1.00 48.02 C
ATOM 270 CG GLN A 36 68.110 58.790 21.454 1.00 50.97 C
ATOM 271 CD GLN A 36 68.507 60.153 20.975 1.00 51.39 C
ATOM 272 OE1 GLN A 36 68.117 61.207 21.495 1.00 50.37 O
ATOM 273 NE2 GLN A 36 69.253 60.147 19.914 1.00 51.39 N
ATOM 274 C GLN A 36 66.263 57.462 24.509 1.00 50.57 C
ATOM 275 O GLN A 36 66.795 58.132 25.376 1.00 49.57 O
ATOM 276 N CYS A 37 65.073 56.888 24.686 1.00 48.17 N
ATOM 277 CA CYS A 37 64.473 56.917 26.015 1.00 48.34 C
ATOM 278 CB CYS A 37 62.919 56.758 25.955 1.00 47.13 C
ATOM 279 SG CYS A 37 62.085 58.265 25.136 1.00 50.23 S
ATOM 280 C CYS A 37 64.940 55.782 26.810 1.00 48.11 C
ATOM 281 O CYS A 37 64.462 55.643 27.903 1.00 49.33 O
ATOM 282 N CYS A 38 65.832 54.925 26.307 1.00 49.11 N
ATOM 283 CA CYS A 38 66.478 53.876 27.093 1.00 46.79 C
ATOM 284 CB CYS A 38 66.555 52.667 26.286 1.00 46.92 C
ATOM 285 SG CYS A 38 64.878 51.830 26.173 1.00 49.03 S
ATOM 286 C CYS A 38 67.921 54.352 27.324 1.00 49.42 C
ATOM 287 O CYS A 38 68.760 54.247 26.405 1.00 49.54 O
ATOM 288 N PRO A 39 68.230 54.941 28.512 1.00 48.51 N
ATOM 289 CA PRO A 39 69.589 55.486 28.775 1.00 48.27 C
ATOM 290 CB PRO A 39 69.396 56.178 30.091 1.00 47.74 C
ATOM 291 CG PRO A 39 68.208 55.370 30.758 1.00 47.39 C
ATOM 292 CD PRO A 39 67.307 55.178 29.644 1.00 48.44 C
ATOM 293 C PRO A 39 70.678 54.411 28.892 1.00 48.50 C
ATOM 294 O PRO A 39 71.903 54.669 28.776 1.00 49.56 O
ATOM 295 N GLN A 40 70.258 53.188 29.089 1.00 47.40 N
ATOM 296 CA GLN A 40 71.201 52.058 29.064 1.00 47.32 C
ATOM 297 CB GLN A 40 70.449 50.807 29.439 1.00 45.12 C
ATOM 298 CG GLN A 40 70.162 50.730 30.902 1.00 46.06 C
ATOM 299 CD GLN A 40 69.191 49.675 31.222 1.00 49.67 C
ATOM 300 OE1 GLN A 40 68.215 49.477 30.511 1.00 54.57 O
ATOM 301 NE2 GLN A 40 69.493 48.904 32.264 1.00 55.25 N
ATOM 302 C GLN A 40 71.807 51.861 27.708 1.00 48.56 C
ATOM 303 O GLN A 40 72.816 51.148 27.558 1.00 49.49 O
ATOM 304 N ILE A 41 71.160 52.423 26.678 1.00 50.22 N
ATOM 305 CA ILE A 41 71.759 52.423 25.327 1.00 49.87 C
ATOM 306 CB ILE A 41 71.034 51.639 24.283 1.00 47.53 C
ATOM 307 CG1 ILE A 41 69.594 52.077 24.133 1.00 47.21 C
ATOM 308 CD1 ILE A 41 68.912 51.304 22.912 1.00 43.92 C
ATOM 309 CG2 ILE A 41 71.106 50.080 24.629 1.00 49.70 C
ATOM 310 C ILE A 41 72.019 53.852 24.911 1.00 50.94 C
ATOM 311 O ILE A 41 71.972 54.203 23.740 1.00 52.72 O
ATOM 312 N ALA A 42 72.278 54.688 25.892 1.00 51.74 N
ATOM 313 CA ALA A 42 72.573 56.118 25.640 1.00 52.28 C
ATOM 314 CB ALA A 42 73.158 56.816 26.968 1.00 50.54 C
ATOM 315 C ALA A 42 73.533 56.319 24.504 1.00 52.76 C
ATOM 316 O ALA A 42 73.362 57.179 23.705 1.00 54.22 O
ATOM 317 N THR A 43 74.618 55.575 24.429 1.00 55.83 N
ATOM 318 CA THR A 43 75.636 55.983 23.429 1.00 54.09 C
ATOM 319 CB THR A 43 76.964 55.295 23.720 1.00 55.43 C
ATOM 320 OG1 THR A 43 77.517 55.794 24.954 1.00 56.75 O
ATOM 321 CG2 THR A 43 77.960 55.531 22.555 1.00 53.05 C
ATOM 322 C THR A 43 75.186 55.486 22.046 1.00 53.44 C
ATOM 323 O THR A 43 75.165 56.229 21.065 1.00 52.37 O
ATOM 324 N GLY A 44 74.821 54.217 21.957 1.00 52.05 N
ATOM 325 CA GLY A 44 74.529 53.644 20.671 1.00 51.60 C
ATOM 326 C GLY A 44 73.307 54.315 20.084 1.00 52.17 C
ATOM 327 O GLY A 44 73.164 54.473 18.874 1.00 49.76 O
ATOM 328 N SER A 45 72.386 54.713 20.936 1.00 50.83 N
ATOM 329 CA SER A 45 71.183 55.328 20.404 1.00 51.32 C
ATOM 330 CB SER A 45 70.035 55.227 21.433 1.00 50.73 C
ATOM 331 OG SER A 45 70.254 56.133 22.503 1.00 44.00 O
ATOM 332 C SER A 45 71.451 56.829 19.986 1.00 51.62 C
ATOM 333 O SER A 45 70.515 57.557 19.538 1.00 54.86 O
ATOM 334 N GLY A 46 72.671 57.333 20.155 1.00 51.63 N
ATOM 335 CA GLY A 46 72.951 58.746 19.767 1.00 50.90 C
ATOM 336 C GLY A 46 72.653 59.870 20.710 1.00 53.32 C
ATOM 337 O GLY A 46 72.643 61.100 20.318 1.00 52.53 O
ATOM 338 N ARG A 47 72.487 59.554 21.996 1.00 52.12 N
ATOM 339 CA ARG A 47 72.196 60.646 22.978 1.00 50.84 C
ATOM 340 CB ARG A 47 71.935 60.006 24.409 1.00 53.30 C
ATOM 341 CG ARG A 47 70.486 59.931 24.717 1.00 51.79 C
ATOM 342 CD ARG A 47 69.807 58.904 25.461 1.00 61.60 C
ATOM 343 NE ARG A 47 69.862 59.280 26.794 1.00 56.98 N
ATOM 344 CZ ARG A 47 69.027 59.161 27.837 1.00 56.78 C
ATOM 345 NH1 ARG A 47 67.757 58.696 27.933 1.00 49.25 N
ATOM 346 NH2 ARG A 47 69.601 59.676 28.909 1.00 45.96 N
ATOM 347 C ARG A 47 73.440 61.504 22.935 1.00 51.77 C
ATOM 348 O ARG A 47 74.515 60.945 22.869 1.00 52.58 O
ATOM 349 N PRO A 48 73.335 62.877 23.005 1.00 49.82 N
ATOM 350 CA PRO A 48 74.603 63.569 23.039 1.00 50.30 C
ATOM 351 CB PRO A 48 74.228 65.120 22.952 1.00 49.62 C
ATOM 352 CG PRO A 48 72.758 65.235 23.364 1.00 45.50 C
ATOM 353 CD PRO A 48 72.139 63.761 23.111 1.00 48.29 C
ATOM 354 C PRO A 48 75.309 63.381 24.374 1.00 53.18 C
ATOM 355 O PRO A 48 74.623 63.117 25.344 1.00 52.03 O
ATOM 356 N LEU A 49 76.618 63.725 24.462 1.00 53.96 N
ATOM 357 CA LEU A 49 77.341 63.691 25.746 1.00 56.69 C
ATOM 358 CB LEU A 49 78.857 63.798 25.504 1.00 56.61 C
ATOM 359 CG LEU A 49 79.664 62.688 24.808 1.00 58.52 C
ATOM 360 CD1 LEU A 49 81.125 63.202 24.694 1.00 61.01 C
ATOM 361 CD2 LEU A 49 79.637 61.325 25.520 1.00 60.96 C
ATOM 362 C LEU A 49 76.909 64.837 26.637 1.00 58.26 C
ATOM 363 O LEU A 49 76.507 65.839 26.121 1.00 58.75 O
ATOM 364 N GLU A 50 76.999 64.702 27.965 1.00 60.52 N
ATOM 365 CA GLU A 50 76.747 65.832 28.856 1.00 61.73 C
ATOM 366 CB GLU A 50 77.045 65.528 30.323 1.00 62.62 C
ATOM 367 CG GLU A 50 76.103 64.528 30.913 1.00 66.72 C
ATOM 368 CD GLU A 50 74.638 65.010 30.832 1.00 73.14 C
ATOM 369 OE1 GLU A 50 74.355 66.204 31.301 1.00 70.25 O
ATOM 370 OE2 GLU A 50 73.843 64.173 30.276 1.00 62.84 O
ATOM 371 C GLU A 50 77.607 66.960 28.475 1.00 61.66 C
ATOM 372 O GLU A 50 77.144 68.084 28.468 1.00 62.96 O
ATOM 373 N SER A 51 78.889 66.660 28.225 1.00 62.23 N
ATOM 374 CA SER A 51 79.867 67.673 27.770 1.00 61.50 C
ATOM 375 CB SER A 51 81.296 67.098 27.502 1.00 62.05 C
ATOM 376 OG SER A 51 81.294 65.739 27.020 1.00 63.95 O
ATOM 377 C SER A 51 79.353 68.421 26.556 1.00 60.20 C
ATOM 378 O SER A 51 79.545 69.580 26.472 1.00 60.44 O
ATOM 379 N GLU A 52 78.645 67.763 25.641 1.00 59.21 N
ATOM 380 CA GLU A 52 78.225 68.458 24.456 1.00 57.67 C
ATOM 381 CB GLU A 52 78.529 67.691 23.155 1.00 59.16 C
ATOM 382 CG GLU A 52 77.578 66.694 22.735 1.00 60.50 C
ATOM 383 CD GLU A 52 78.222 65.472 21.986 1.00 65.36 C
ATOM 384 OE1 GLU A 52 77.473 64.584 21.615 1.00 63.80 O
ATOM 385 OE2 GLU A 52 79.452 65.363 21.771 1.00 69.44 O
ATOM 386 C GLU A 52 76.935 69.244 24.506 1.00 57.14 C
ATOM 387 O GLU A 52 76.738 70.079 23.648 1.00 57.30 O
ATOM 388 N LEU A 53 76.088 69.047 25.553 1.00 56.61 N
ATOM 389 CA LEU A 53 74.880 69.876 25.788 1.00 52.66 C
ATOM 390 CB LEU A 53 73.922 69.317 26.873 1.00 51.70 C
ATOM 391 CG LEU A 53 73.415 67.926 26.479 1.00 49.49 C
ATOM 392 CD1 LEU A 53 73.011 67.307 27.743 1.00 47.72 C
ATOM 393 CD2 LEU A 53 72.237 68.098 25.487 1.00 49.97 C
ATOM 394 C LEU A 53 75.210 71.290 26.129 1.00 53.57 C
ATOM 395 O LEU A 53 74.382 72.181 25.895 1.00 49.70 O
ATOM 396 N GLN A 54 76.384 71.482 26.734 1.00 55.87 N
ATOM 397 CA GLN A 54 76.843 72.795 27.129 1.00 57.71 C
ATOM 398 CB GLN A 54 77.252 73.567 25.910 1.00 58.08 C
ATOM 399 CG GLN A 54 78.528 72.977 25.403 1.00 64.39 C
ATOM 400 CD GLN A 54 79.116 73.777 24.290 1.00 72.16 C
ATOM 401 OE1 GLN A 54 79.039 73.334 23.137 1.00 74.83 O
ATOM 402 NE2 GLN A 54 79.698 74.987 24.600 1.00 71.24 N
ATOM 403 C GLN A 54 75.800 73.535 27.950 1.00 58.55 C
ATOM 404 O GLN A 54 75.452 74.705 27.672 1.00 57.56 O
ATOM 405 N SER A 55 75.302 72.793 28.959 1.00 59.10 N
ATOM 406 CA SER A 55 74.397 73.303 29.989 1.00 59.45 C
ATOM 407 CB SER A 55 74.961 74.549 30.643 1.00 59.87 C
ATOM 408 OG SER A 55 76.018 74.183 31.495 1.00 62.21 O
ATOM 409 C SER A 55 72.980 73.600 29.485 1.00 59.86 C
ATOM 410 O SER A 55 72.243 74.297 30.175 1.00 62.32 O
ATOM 411 N THR A 56 72.611 73.083 28.307 1.00 58.05 N
ATOM 412 CA THR A 56 71.343 73.390 27.699 1.00 54.97 C
ATOM 413 CB THR A 56 71.388 73.457 26.130 1.00 55.50 C
ATOM 414 OG1 THR A 56 71.795 72.179 25.581 1.00 55.88 O
ATOM 415 CG2 THR A 56 72.282 74.568 25.642 1.00 49.50 C
ATOM 416 C THR A 56 70.576 72.163 28.121 1.00 53.55 C
ATOM 417 O THR A 56 71.197 71.167 28.451 1.00 51.70 O
ATOM 418 N ARG A 57 69.237 72.231 28.115 1.00 52.52 N
ATOM 419 CA ARG A 57 68.394 71.118 28.516 1.00 52.29 C
ATOM 420 CB ARG A 57 67.214 71.735 29.239 1.00 54.21 C
ATOM 421 CG ARG A 57 67.728 72.758 30.188 1.00 56.46 C
ATOM 422 CD ARG A 57 67.772 72.187 31.572 1.00 71.09 C
ATOM 423 NE ARG A 57 69.069 71.850 32.240 1.00 79.82 N
ATOM 424 CZ ARG A 57 69.540 72.433 33.362 1.00 81.25 C
ATOM 425 NH1 ARG A 57 68.956 73.524 33.917 1.00 82.88 N
ATOM 426 NH2 ARG A 57 70.652 71.970 33.878 1.00 82.26 N
ATOM 427 C ARG A 57 67.910 70.227 27.370 1.00 51.01 C
ATOM 428 O ARG A 57 67.428 70.737 26.377 1.00 50.18 O
ATOM 429 N ARG A 58 67.936 68.905 27.520 1.00 49.59 N
ATOM 430 CA ARG A 58 67.399 68.071 26.519 1.00 48.72 C
ATOM 431 CB ARG A 58 68.540 67.302 25.808 1.00 46.40 C
ATOM 432 CG ARG A 58 68.019 66.220 24.813 1.00 47.03 C
ATOM 433 CD ARG A 58 69.229 65.669 23.976 1.00 48.51 C
ATOM 434 NE ARG A 58 68.858 64.589 23.049 1.00 52.68 N
ATOM 435 CZ ARG A 58 68.526 64.861 21.788 1.00 49.83 C
ATOM 436 NH1 ARG A 58 68.533 66.140 21.385 1.00 40.10 N
ATOM 437 NH2 ARG A 58 68.140 63.930 20.957 1.00 39.62 N
ATOM 438 C ARG A 58 66.450 67.055 27.231 1.00 49.87 C
ATOM 439 O ARG A 58 66.875 66.373 28.171 1.00 51.18 O
ATOM 440 N ILE A 59 65.208 66.938 26.753 1.00 49.30 N
ATOM 441 CA ILE A 59 64.174 66.321 27.487 1.00 46.21 C
ATOM 442 CB ILE A 59 62.996 67.239 27.494 1.00 48.11 C
ATOM 443 CG1 ILE A 59 63.283 68.577 28.221 1.00 42.23 C
ATOM 444 CD1 ILE A 59 63.879 68.579 29.609 1.00 46.11 C
ATOM 445 CG2 ILE A 59 61.760 66.533 28.071 1.00 46.35 C
ATOM 446 C ILE A 59 63.873 65.055 26.744 1.00 46.98 C
ATOM 447 O ILE A 59 63.726 65.121 25.541 1.00 48.26 O
ATOM 448 N TYR A 60 63.769 63.887 27.419 1.00 47.29 N
ATOM 449 CA TYR A 60 63.388 62.659 26.743 1.00 45.57 C
ATOM 450 CB TYR A 60 64.274 61.496 27.215 1.00 46.70 C
ATOM 451 CG TYR A 60 65.684 61.702 26.706 1.00 47.75 C
ATOM 452 CD1 TYR A 60 66.599 62.309 27.498 1.00 44.53 C
ATOM 453 CE1 TYR A 60 67.892 62.544 26.983 1.00 49.41 C
ATOM 454 CZ TYR A 60 68.170 62.234 25.661 1.00 47.93 C
ATOM 455 OH TYR A 60 69.406 62.414 25.131 1.00 50.55 O
ATOM 456 CE2 TYR A 60 67.238 61.671 24.841 1.00 47.18 C
ATOM 457 CD2 TYR A 60 66.030 61.405 25.341 1.00 48.56 C
ATOM 458 C TYR A 60 61.925 62.311 27.080 1.00 49.13 C
ATOM 459 O TYR A 60 61.390 62.768 28.118 1.00 49.82 O
ATOM 460 N LEU A 61 61.267 61.552 26.225 1.00 47.62 N
ATOM 461 CA LEU A 61 59.819 61.373 26.455 1.00 49.61 C
ATOM 462 CB LEU A 61 59.146 60.909 25.124 1.00 47.37 C
ATOM 463 CG LEU A 61 59.268 62.025 24.098 1.00 46.81 C
ATOM 464 CD1 LEU A 61 58.803 61.519 22.725 1.00 42.20 C
ATOM 465 CD2 LEU A 61 58.519 63.358 24.588 1.00 41.70 C
ATOM 466 C LEU A 61 59.526 60.363 27.571 1.00 48.99 C
ATOM 467 O LEU A 61 58.406 60.343 28.145 1.00 54.03 O
ATOM 468 N ASP A 62 60.526 59.542 27.903 1.00 48.74 N
ATOM 469 CA ASP A 62 60.415 58.589 29.088 1.00 48.18 C
ATOM 470 CB ASP A 62 59.747 57.387 28.581 1.00 45.91 C
ATOM 471 CG ASP A 62 59.158 56.542 29.635 1.00 48.26 C
ATOM 472 OD1 ASP A 62 58.689 55.472 29.291 1.00 51.18 O
ATOM 473 OD2 ASP A 62 59.214 56.836 30.814 1.00 45.56 O
ATOM 474 C ASP A 62 61.839 58.259 29.458 1.00 48.81 C
ATOM 475 O ASP A 62 62.805 58.678 28.772 1.00 48.32 O
ATOM 476 N SER A 63 62.007 57.586 30.583 1.00 48.54 N
ATOM 477 CA SER A 63 63.324 57.035 30.910 1.00 48.37 C
ATOM 478 CB SER A 63 63.864 57.817 32.144 1.00 49.51 C
ATOM 479 OG SER A 63 65.191 57.409 32.518 1.00 52.18 O
ATOM 480 C SER A 63 63.066 55.606 31.263 1.00 47.38 C
ATOM 481 O SER A 63 62.398 55.413 32.269 1.00 48.03 O
ATOM 482 N ARG A 64 63.464 54.610 30.458 1.00 48.14 N
ATOM 483 CA ARG A 64 62.984 53.236 30.758 1.00 50.24 C
ATOM 484 CB ARG A 64 61.767 52.924 29.899 1.00 50.38 C
ATOM 485 CG ARG A 64 62.002 53.274 28.567 1.00 52.87 C
ATOM 486 CD ARG A 64 60.708 53.545 27.854 1.00 56.73 C
ATOM 487 NE ARG A 64 60.057 52.274 27.582 1.00 49.11 N
ATOM 488 CZ ARG A 64 58.755 52.052 27.774 1.00 55.44 C
ATOM 489 NH1 ARG A 64 57.962 53.014 28.252 1.00 51.35 N
ATOM 490 NH2 ARG A 64 58.232 50.874 27.536 1.00 41.04 N
ATOM 491 C ARG A 64 63.984 52.127 30.563 1.00 49.37 C
ATOM 492 O ARG A 64 64.872 52.278 29.718 1.00 51.56 O
ATOM 493 N PRO A 65 63.891 51.035 31.382 1.00 49.79 N
ATOM 494 CA PRO A 65 64.821 49.934 31.140 1.00 49.33 C
ATOM 495 CB PRO A 65 64.373 48.829 32.138 1.00 50.22 C
ATOM 496 CG PRO A 65 63.456 49.547 33.151 1.00 50.07 C
ATOM 497 CD PRO A 65 62.988 50.821 32.551 1.00 46.87 C
ATOM 498 C PRO A 65 64.633 49.392 29.693 1.00 52.31 C
ATOM 499 O PRO A 65 63.470 49.269 29.193 1.00 52.70 O
ATOM 500 N LEU A 66 65.733 48.945 29.072 1.00 52.89 N
ATOM 501 CA LEU A 66 65.681 48.416 27.736 1.00 53.82 C
ATOM 502 CB LEU A 66 67.111 48.090 27.292 1.00 55.38 C
ATOM 503 CG LEU A 66 67.681 47.696 25.939 1.00 54.47 C
ATOM 504 CD1 LEU A 66 67.256 46.325 25.830 1.00 58.63 C
ATOM 505 CD2 LEU A 66 67.241 48.605 24.856 1.00 54.39 C
ATOM 506 C LEU A 66 64.777 47.197 27.730 1.00 54.56 C
ATOM 507 O LEU A 66 64.007 47.011 26.772 1.00 55.40 O
ATOM 508 N THR A 67 64.807 46.382 28.790 1.00 55.67 N
ATOM 509 CA THR A 67 64.021 45.103 28.794 1.00 54.16 C
ATOM 510 CB THR A 67 64.433 44.186 29.997 1.00 54.03 C
ATOM 511 OG1 THR A 67 64.331 44.920 31.233 1.00 53.34 O
ATOM 512 CG2 THR A 67 65.874 43.643 29.816 1.00 53.80 C
ATOM 513 C THR A 67 62.501 45.348 28.860 1.00 55.03 C
ATOM 514 O THR A 67 61.718 44.423 28.881 1.00 55.65 O
ATOM 515 N GLU A 68 62.089 46.593 29.003 1.00 56.45 N
ATOM 516 CA GLU A 68 60.676 46.979 29.010 1.00 57.80 C
ATOM 517 CB GLU A 68 60.448 48.289 29.835 1.00 56.83 C
ATOM 518 CG GLU A 68 60.564 48.110 31.368 1.00 65.50 C
ATOM 519 CD GLU A 68 59.777 46.872 31.897 1.00 77.42 C
ATOM 520 OE1 GLU A 68 58.538 46.951 31.855 1.00 83.70 O
ATOM 521 OE2 GLU A 68 60.328 45.797 32.345 1.00 81.46 O
ATOM 522 C GLU A 68 60.191 47.195 27.558 1.00 56.05 C
ATOM 523 O GLU A 68 59.020 47.448 27.330 1.00 58.58 O
ATOM 524 N GLY A 69 61.083 47.118 26.595 1.00 53.90 N
ATOM 525 CA GLY A 69 60.753 47.349 25.188 1.00 51.66 C
ATOM 526 C GLY A 69 60.943 48.832 24.923 1.00 52.44 C
ATOM 527 O GLY A 69 60.713 49.657 25.793 1.00 51.18 O
ATOM 528 N ILE A 70 61.326 49.174 23.699 1.00 51.50 N
ATOM 529 CA ILE A 70 61.407 50.563 23.254 1.00 49.77 C
ATOM 530 CB ILE A 70 61.835 50.625 21.793 1.00 50.82 C
ATOM 531 CG1 ILE A 70 63.224 50.046 21.587 1.00 49.59 C
ATOM 532 CD1 ILE A 70 64.211 50.500 22.649 1.00 51.14 C
ATOM 533 CG2 ILE A 70 61.815 52.021 21.347 1.00 53.15 C
ATOM 534 C ILE A 70 59.992 51.138 23.386 1.00 48.87 C
ATOM 535 O ILE A 70 59.005 50.464 23.034 1.00 44.33 O
ATOM 536 N LEU A 71 59.902 52.396 23.782 1.00 45.07 N
ATOM 537 CA LEU A 71 58.654 53.064 24.029 1.00 44.47 C
ATOM 538 CB LEU A 71 59.042 54.508 24.310 1.00 42.53 C
ATOM 539 CG LEU A 71 57.896 55.513 24.539 1.00 46.26 C
ATOM 540 CD1 LEU A 71 57.053 55.295 25.725 1.00 52.12 C
ATOM 541 CD2 LEU A 71 58.448 56.944 24.611 1.00 43.51 C
ATOM 542 C LEU A 71 57.909 52.998 22.764 1.00 45.92 C
ATOM 543 O LEU A 71 58.475 53.422 21.763 1.00 47.43 O
ATOM 544 N ASP A 72 56.671 52.474 22.727 1.00 47.17 N
ATOM 545 CA ASP A 72 55.916 52.461 21.444 1.00 48.24 C
ATOM 546 CB ASP A 72 54.618 51.608 21.498 1.00 49.82 C
ATOM 547 CG ASP A 72 53.573 52.208 22.449 1.00 53.67 C
ATOM 548 OD1 ASP A 72 53.724 51.989 23.661 1.00 63.44 O
ATOM 549 OD2 ASP A 72 52.713 53.012 22.044 1.00 57.00 O
ATOM 550 C ASP A 72 55.594 53.894 21.015 1.00 48.55 C
ATOM 551 O ASP A 72 55.640 54.794 21.793 1.00 50.25 O
ATOM 552 N ALA A 73 55.307 54.084 19.733 1.00 49.83 N
ATOM 553 CA ALA A 73 55.061 55.354 19.113 1.00 49.05 C
ATOM 554 CB ALA A 73 54.963 55.192 17.604 1.00 49.40 C
ATOM 555 C ALA A 73 53.847 56.087 19.614 1.00 49.03 C
ATOM 556 O ALA A 73 53.931 57.278 19.725 1.00 50.88 O
ATOM 557 N GLU A 74 52.722 55.462 19.891 1.00 49.44 N
ATOM 558 CA GLU A 74 51.600 56.286 20.351 1.00 51.62 C
ATOM 559 CB GLU A 74 50.170 55.785 20.055 1.00 52.78 C
ATOM 560 CG GLU A 74 50.059 54.306 19.922 1.00 62.32 C
ATOM 561 CD GLU A 74 50.820 53.765 18.669 1.00 74.28 C
ATOM 562 OE1 GLU A 74 51.914 53.091 18.797 1.00 74.81 O
ATOM 563 OE2 GLU A 74 50.303 54.038 17.548 1.00 78.79 O
ATOM 564 C GLU A 74 51.754 56.696 21.757 1.00 50.56 C
ATOM 565 O GLU A 74 51.328 57.805 22.068 1.00 52.71 O
ATOM 566 N SER A 75 52.398 55.881 22.608 1.00 48.82 N
ATOM 567 CA SER A 75 52.746 56.354 23.986 1.00 48.48 C
ATOM 568 CB SER A 75 53.411 55.282 24.873 1.00 48.95 C
ATOM 569 OG SER A 75 52.457 54.202 25.032 1.00 56.80 O
ATOM 570 C SER A 75 53.684 57.526 23.947 1.00 47.01 C
ATOM 571 O SER A 75 53.460 58.468 24.656 1.00 47.26 O
ATOM 572 N ALA A 76 54.737 57.432 23.143 1.00 45.64 N
ATOM 573 CA ALA A 76 55.660 58.568 22.889 1.00 46.99 C
ATOM 574 CB ALA A 76 56.719 58.230 21.852 1.00 42.14 C
ATOM 575 C ALA A 76 54.879 59.783 22.463 1.00 47.30 C
ATOM 576 O ALA A 76 55.188 60.903 22.863 1.00 49.59 O
ATOM 577 N HIS A 77 53.827 59.584 21.673 1.00 48.66 N
ATOM 578 CA HIS A 77 53.204 60.762 21.133 1.00 47.04 C
ATOM 579 CB HIS A 77 52.348 60.483 19.865 1.00 47.40 C
ATOM 580 CG HIS A 77 51.839 61.752 19.242 1.00 47.45 C
ATOM 581 ND1 HIS A 77 50.549 62.224 19.449 1.00 47.59 N
ATOM 582 CE1 HIS A 77 50.417 63.402 18.848 1.00 49.23 C
ATOM 583 NE2 HIS A 77 51.563 63.710 18.261 1.00 49.45 N
ATOM 584 CD2 HIS A 77 52.475 62.694 18.492 1.00 46.87 C
ATOM 585 C HIS A 77 52.401 61.502 22.200 1.00 47.37 C
ATOM 586 O HIS A 77 52.406 62.714 22.235 1.00 46.66 O
ATOM 587 N ARG A 78 51.632 60.756 22.971 1.00 46.24 N
ATOM 588 CA ARG A 78 50.943 61.231 24.144 1.00 47.69 C
ATOM 589 CB ARG A 78 50.230 60.024 24.798 1.00 49.26 C
ATOM 590 CG ARG A 78 48.873 59.732 24.191 1.00 51.91 C
ATOM 591 CD ARG A 78 48.061 58.804 25.054 1.00 58.52 C
ATOM 592 NE ARG A 78 48.266 57.451 24.560 1.00 66.13 N
ATOM 593 CZ ARG A 78 49.146 56.603 25.088 1.00 65.72 C
ATOM 594 NH1 ARG A 78 49.850 56.994 26.178 1.00 68.43 N
ATOM 595 NH2 ARG A 78 49.293 55.387 24.536 1.00 61.18 N
ATOM 596 C ARG A 78 51.933 61.875 25.155 1.00 48.34 C
ATOM 597 O ARG A 78 51.669 62.960 25.712 1.00 48.35 O
ATOM 598 N ARG A 79 53.116 61.267 25.349 1.00 48.08 N
ATOM 599 CA ARG A 79 54.111 61.918 26.243 1.00 46.02 C
ATOM 600 CB ARG A 79 55.265 61.028 26.534 1.00 45.75 C
ATOM 601 CG ARG A 79 54.808 59.899 27.465 1.00 48.54 C
ATOM 602 CD ARG A 79 55.482 58.634 27.119 1.00 52.59 C
ATOM 603 NE ARG A 79 55.294 57.682 28.228 1.00 58.04 N
ATOM 604 CZ ARG A 79 55.774 57.894 29.484 1.00 62.46 C
ATOM 605 NH1 ARG A 79 56.497 59.006 29.820 1.00 57.55 N
ATOM 606 NH2 ARG A 79 55.564 56.981 30.401 1.00 57.72 N
ATOM 607 C ARG A 79 54.533 63.240 25.647 1.00 46.51 C
ATOM 608 O ARG A 79 54.645 64.206 26.398 1.00 44.98 O
ATOM 609 N LEU A 80 54.723 63.300 24.308 1.00 45.26 N
ATOM 610 CA LEU A 80 55.184 64.525 23.674 1.00 43.48 C
ATOM 611 CB LEU A 80 55.396 64.204 22.156 1.00 44.19 C
ATOM 612 CG LEU A 80 55.834 65.428 21.286 1.00 46.12 C
ATOM 613 CD1 LEU A 80 57.125 66.124 21.772 1.00 42.99 C
ATOM 614 CD2 LEU A 80 55.795 65.183 19.760 1.00 43.54 C
ATOM 615 C LEU A 80 54.144 65.668 23.832 1.00 43.72 C
ATOM 616 O LEU A 80 54.431 66.823 24.135 1.00 44.18 O
ATOM 617 N ILE A 81 52.897 65.364 23.548 1.00 44.57 N
ATOM 618 CA ILE A 81 51.836 66.370 23.699 1.00 44.57 C
ATOM 619 CB ILE A 81 50.448 65.647 23.404 1.00 45.25 C
ATOM 620 CG1 ILE A 81 50.295 65.334 21.887 1.00 43.49 C
ATOM 621 CD1 ILE A 81 48.899 64.603 21.562 1.00 44.13 C
ATOM 622 CG2 ILE A 81 49.182 66.393 24.082 1.00 44.34 C
ATOM 623 C ILE A 81 51.907 66.912 25.143 1.00 46.13 C
ATOM 624 O ILE A 81 51.773 68.112 25.393 1.00 47.68 O
ATOM 625 N PHE A 82 52.130 66.021 26.112 1.00 46.82 N
ATOM 626 CA PHE A 82 52.120 66.464 27.518 1.00 47.68 C
ATOM 627 CB PHE A 82 52.084 65.286 28.497 1.00 47.62 C
ATOM 628 CG PHE A 82 52.281 65.725 29.908 1.00 49.45 C
ATOM 629 CD1 PHE A 82 51.322 66.552 30.520 1.00 46.42 C
ATOM 630 CE1 PHE A 82 51.503 66.993 31.815 1.00 50.51 C
ATOM 631 CZ PHE A 82 52.676 66.623 32.547 1.00 46.57 C
ATOM 632 CE2 PHE A 82 53.653 65.839 31.933 1.00 51.30 C
ATOM 633 CD2 PHE A 82 53.455 65.378 30.615 1.00 47.23 C
ATOM 634 C PHE A 82 53.334 67.366 27.781 1.00 48.66 C
ATOM 635 O PHE A 82 53.183 68.473 28.331 1.00 48.71 O
ATOM 636 N GLU A 83 54.540 66.951 27.329 1.00 48.16 N
ATOM 637 CA GLU A 83 55.718 67.821 27.589 1.00 46.14 C
ATOM 638 CB GLU A 83 56.980 67.136 27.070 1.00 46.34 C
ATOM 639 CG GLU A 83 57.198 65.757 27.844 1.00 45.58 C
ATOM 640 CD GLU A 83 57.537 65.982 29.316 1.00 51.73 C
ATOM 641 OE1 GLU A 83 57.501 64.970 30.040 1.00 53.15 O
ATOM 642 OE2 GLU A 83 57.956 67.158 29.712 1.00 52.28 O
ATOM 643 C GLU A 83 55.592 69.197 27.006 1.00 46.69 C
ATOM 644 O GLU A 83 56.130 70.154 27.560 1.00 48.68 O
ATOM 645 N VAL A 84 54.940 69.305 25.855 1.00 45.50 N
ATOM 646 CA VAL A 84 54.750 70.607 25.191 1.00 46.40 C
ATOM 647 CB VAL A 84 54.451 70.429 23.635 1.00 46.37 C
ATOM 648 CG1 VAL A 84 53.911 71.716 22.987 1.00 47.07 C
ATOM 649 CG2 VAL A 84 55.698 69.958 22.854 1.00 42.98 C
ATOM 650 C VAL A 84 53.605 71.291 25.943 1.00 46.62 C
ATOM 651 O VAL A 84 53.703 72.442 26.262 1.00 46.35 O
ATOM 652 N ASP A 85 52.526 70.552 26.250 1.00 46.69 N
ATOM 653 CA ASP A 85 51.345 71.194 26.810 1.00 46.66 C
ATOM 654 CB ASP A 85 50.177 70.244 26.953 1.00 45.71 C
ATOM 655 CG ASP A 85 48.903 70.990 27.275 1.00 49.86 C
ATOM 656 OD1 ASP A 85 48.632 72.086 26.722 1.00 54.15 O
ATOM 657 OD2 ASP A 85 48.181 70.531 28.130 1.00 51.07 O
ATOM 658 C ASP A 85 51.591 71.884 28.134 1.00 46.86 C
ATOM 659 O ASP A 85 51.093 72.995 28.326 1.00 47.75 O
ATOM 660 N TRP A 86 52.322 71.235 29.055 1.00 46.77 N
ATOM 661 CA TRP A 86 52.562 71.853 30.369 1.00 47.95 C
ATOM 662 CB TRP A 86 52.973 70.855 31.468 1.00 45.61 C
ATOM 663 CG TRP A 86 54.415 70.359 31.474 1.00 47.11 C
ATOM 664 CD1 TRP A 86 54.868 69.176 30.993 1.00 45.24 C
ATOM 665 NE1 TRP A 86 56.219 69.006 31.209 1.00 46.18 N
ATOM 666 CE2 TRP A 86 56.667 70.148 31.851 1.00 47.29 C
ATOM 667 CD2 TRP A 86 55.541 71.015 32.033 1.00 46.73 C
ATOM 668 CE3 TRP A 86 55.714 72.263 32.709 1.00 47.80 C
ATOM 669 CZ3 TRP A 86 56.988 72.590 33.183 1.00 47.09 C
ATOM 670 CH2 TRP A 86 58.124 71.684 33.005 1.00 47.45 C
ATOM 671 CZ2 TRP A 86 57.968 70.459 32.351 1.00 44.42 C
ATOM 672 C TRP A 86 53.496 73.065 30.332 1.00 49.09 C
ATOM 673 O TRP A 86 53.529 73.845 31.260 1.00 51.82 O
ATOM 674 N ARG A 87 54.202 73.255 29.246 1.00 48.87 N
ATOM 675 CA ARG A 87 55.131 74.331 29.105 1.00 51.60 C
ATOM 676 CB ARG A 87 56.385 73.857 28.329 1.00 49.99 C
ATOM 677 CG ARG A 87 57.284 72.925 29.110 1.00 48.26 C
ATOM 678 CD ARG A 87 58.421 72.388 28.324 1.00 48.67 C
ATOM 679 NE ARG A 87 59.430 71.778 29.185 1.00 45.09 N
ATOM 680 CZ ARG A 87 59.529 70.487 29.470 1.00 51.04 C
ATOM 681 NH1 ARG A 87 58.675 69.586 28.971 1.00 49.57 N
ATOM 682 NH2 ARG A 87 60.482 70.094 30.310 1.00 48.81 N
ATOM 683 C ARG A 87 54.424 75.412 28.302 1.00 52.60 C
ATOM 684 O ARG A 87 55.103 76.307 27.877 1.00 52.86 O
ATOM 685 N LYS A 88 53.087 75.298 28.117 1.00 55.06 N
ATOM 686 CA LYS A 88 52.172 76.160 27.241 1.00 56.88 C
ATOM 687 CB LYS A 88 50.635 75.933 27.555 1.00 57.54 C
ATOM 688 CG LYS A 88 50.092 76.355 29.034 1.00 59.52 C
ATOM 689 CD LYS A 88 48.766 75.591 29.633 1.00 61.77 C
ATOM 690 CE LYS A 88 48.969 74.100 30.303 1.00 68.05 C
ATOM 691 NZ LYS A 88 48.912 73.617 31.838 1.00 63.10 N
ATOM 692 C LYS A 88 52.489 77.661 27.289 1.00 57.20 C
ATOM 693 O LYS A 88 52.261 78.391 26.326 1.00 56.71 O
ATOM 694 N SER A 89 53.033 78.102 28.421 1.00 58.09 N
ATOM 695 CA SER A 89 53.197 79.546 28.687 1.00 60.01 C
ATOM 696 CB SER A 89 52.975 79.826 30.177 1.00 59.85 C
ATOM 697 OG SER A 89 54.187 79.488 30.852 1.00 65.34 O
ATOM 698 C SER A 89 54.585 80.087 28.290 1.00 59.13 C
ATOM 699 O SER A 89 54.747 81.266 28.121 1.00 59.97 O
ATOM 700 N GLU A 90 55.590 79.219 28.214 1.00 58.64 N
ATOM 701 CA GLU A 90 56.952 79.603 27.796 1.00 56.52 C
ATOM 702 CB GLU A 90 57.840 78.370 27.898 1.00 56.65 C
ATOM 703 CG GLU A 90 57.707 77.699 29.242 1.00 56.90 C
ATOM 704 CD GLU A 90 58.750 76.622 29.407 1.00 57.41 C
ATOM 705 OE1 GLU A 90 58.718 75.874 30.428 1.00 59.90 O
ATOM 706 OE2 GLU A 90 59.603 76.508 28.492 1.00 56.46 O
ATOM 707 C GLU A 90 57.003 80.116 26.365 1.00 55.04 C
ATOM 708 O GLU A 90 56.057 79.882 25.607 1.00 54.37 O
ATOM 709 N GLU A 91 58.093 80.790 25.964 1.00 53.97 N
ATOM 710 CA GLU A 91 58.086 81.364 24.606 1.00 54.23 C
ATOM 711 CB GLU A 91 59.155 82.440 24.469 1.00 53.02 C
ATOM 712 CG GLU A 91 58.971 83.398 23.251 1.00 56.71 C
ATOM 713 CD GLU A 91 60.228 84.215 22.962 1.00 55.77 C
ATOM 714 OE1 GLU A 91 60.508 84.582 21.793 1.00 61.13 O
ATOM 715 OE2 GLU A 91 60.964 84.460 23.925 1.00 60.18 O
ATOM 716 C GLU A 91 58.133 80.308 23.446 1.00 53.55 C
ATOM 717 O GLU A 91 57.380 80.391 22.461 1.00 53.69 O
ATOM 718 N GLY A 92 59.009 79.319 23.550 1.00 53.28 N
ATOM 719 CA GLY A 92 59.134 78.332 22.489 1.00 51.41 C
ATOM 720 C GLY A 92 59.916 77.150 22.988 1.00 51.98 C
ATOM 721 O GLY A 92 60.431 77.164 24.098 1.00 53.00 O
ATOM 722 N LEU A 93 59.955 76.108 22.174 1.00 51.04 N
ATOM 723 CA LEU A 93 60.633 74.876 22.497 1.00 52.15 C
ATOM 724 CB LEU A 93 59.671 73.807 23.048 1.00 52.80 C
ATOM 725 CG LEU A 93 58.885 74.076 24.297 1.00 55.97 C
ATOM 726 CD1 LEU A 93 57.763 73.024 24.356 1.00 56.73 C
ATOM 727 CD2 LEU A 93 59.848 74.020 25.485 1.00 56.73 C
ATOM 728 C LEU A 93 61.158 74.312 21.228 1.00 50.62 C
ATOM 729 O LEU A 93 60.655 74.622 20.168 1.00 50.48 O
ATOM 730 N ILE A 94 62.130 73.446 21.346 1.00 49.54 N
ATOM 731 CA ILE A 94 62.730 72.902 20.158 1.00 49.46 C
ATOM 732 CB ILE A 94 64.204 73.161 20.204 1.00 50.21 C
ATOM 733 CG1 ILE A 94 64.468 74.696 20.349 1.00 47.83 C
ATOM 734 CD1 ILE A 94 65.801 75.046 20.995 1.00 44.23 C
ATOM 735 CG2 ILE A 94 64.909 72.501 18.998 1.00 49.75 C
ATOM 736 C ILE A 94 62.407 71.444 20.167 1.00 50.19 C
ATOM 737 O ILE A 94 62.578 70.817 21.197 1.00 50.06 O
ATOM 738 N LEU A 95 61.862 70.925 19.083 1.00 49.28 N
ATOM 739 CA LEU A 95 61.581 69.515 18.976 1.00 49.44 C
ATOM 740 CB LEU A 95 60.153 69.294 18.498 1.00 48.69 C
ATOM 741 CG LEU A 95 58.985 70.052 19.233 1.00 49.95 C
ATOM 742 CD1 LEU A 95 57.570 69.603 18.699 1.00 46.18 C
ATOM 743 CD2 LEU A 95 59.022 69.927 20.817 1.00 43.93 C
ATOM 744 C LEU A 95 62.553 68.953 17.972 1.00 49.21 C
ATOM 745 O LEU A 95 62.574 69.409 16.863 1.00 50.35 O
ATOM 746 N GLU A 96 63.375 67.988 18.333 1.00 48.33 N
ATOM 747 CA GLU A 96 64.361 67.549 17.364 1.00 49.79 C
ATOM 748 CB GLU A 96 65.692 68.282 17.645 1.00 49.44 C
ATOM 749 CG GLU A 96 66.914 67.746 16.912 1.00 49.69 C
ATOM 750 CD GLU A 96 67.490 66.525 17.539 1.00 49.90 C
ATOM 751 OE1 GLU A 96 67.903 66.611 18.695 1.00 51.99 O
ATOM 752 OE2 GLU A 96 67.566 65.481 16.877 1.00 49.12 O
ATOM 753 C GLU A 96 64.505 66.005 17.354 1.00 50.03 C
ATOM 754 O GLU A 96 64.680 65.423 18.388 1.00 50.79 O
ATOM 755 N GLY A 97 64.453 65.321 16.202 1.00 51.05 N
ATOM 756 CA GLY A 97 64.745 63.903 16.219 1.00 50.05 C
ATOM 757 C GLY A 97 64.464 63.268 14.916 1.00 52.13 C
ATOM 758 O GLY A 97 64.026 63.947 14.017 1.00 53.32 O
ATOM 759 N GLY A 98 64.743 61.961 14.825 1.00 52.21 N
ATOM 760 CA GLY A 98 64.671 61.232 13.590 1.00 50.79 C
ATOM 761 C GLY A 98 63.756 59.993 13.618 1.00 51.75 C
ATOM 762 O GLY A 98 63.844 59.102 12.697 1.00 51.01 O
ATOM 763 N SER A 99 62.886 59.935 14.644 1.00 50.66 N
ATOM 764 CA SER A 99 61.906 58.818 14.815 1.00 50.48 C
ATOM 765 CB SER A 99 61.199 58.834 16.158 1.00 47.90 C
ATOM 766 OG SER A 99 60.326 57.697 16.170 1.00 51.14 O
ATOM 767 C SER A 99 60.849 58.866 13.707 1.00 50.90 C
ATOM 768 O SER A 99 60.063 59.807 13.620 1.00 50.60 O
ATOM 769 N ILE A 100 60.847 57.824 12.888 1.00 50.65 N
ATOM 770 CA ILE A 100 59.936 57.703 11.773 1.00 50.29 C
ATOM 771 CB ILE A 100 60.317 56.494 10.823 1.00 50.07 C
ATOM 772 CG1 ILE A 100 61.723 56.652 10.214 1.00 46.97 C
ATOM 773 CD1 ILE A 100 62.253 55.304 9.601 1.00 48.96 C
ATOM 774 CG2 ILE A 100 59.281 56.275 9.709 1.00 46.03 C
ATOM 775 C ILE A 100 58.503 57.592 12.255 1.00 51.87 C
ATOM 776 O ILE A 100 57.652 58.395 11.858 1.00 51.80 O
ATOM 777 N SER A 101 58.245 56.612 13.130 1.00 52.91 N
ATOM 778 CA SER A 101 56.895 56.418 13.625 1.00 53.14 C
ATOM 779 CB SER A 101 56.740 55.072 14.270 1.00 52.58 C
ATOM 780 OG SER A 101 57.614 54.995 15.347 1.00 55.69 O
ATOM 781 C SER A 101 56.435 57.589 14.526 1.00 52.86 C
ATOM 782 O SER A 101 55.305 58.015 14.368 1.00 53.68 O
ATOM 783 N LEU A 102 57.284 58.170 15.377 1.00 52.40 N
ATOM 784 CA LEU A 102 56.879 59.433 16.058 1.00 52.86 C
ATOM 785 CB LEU A 102 57.887 59.886 17.140 1.00 51.72 C
ATOM 786 CG LEU A 102 57.464 61.040 18.085 1.00 52.96 C
ATOM 787 CD1 LEU A 102 56.115 60.655 18.717 1.00 43.83 C
ATOM 788 CD2 LEU A 102 58.528 61.302 19.174 1.00 51.44 C
ATOM 789 C LEU A 102 56.528 60.624 15.134 1.00 52.38 C
ATOM 790 O LEU A 102 55.507 61.242 15.295 1.00 54.09 O
ATOM 791 N LEU A 103 57.369 60.949 14.179 1.00 52.13 N
ATOM 792 CA LEU A 103 57.062 62.037 13.227 1.00 52.65 C
ATOM 793 CB LEU A 103 58.281 62.340 12.283 1.00 52.23 C
ATOM 794 CG LEU A 103 59.045 63.377 13.108 1.00 55.38 C
ATOM 795 CD1 LEU A 103 60.391 62.860 13.530 1.00 60.43 C
ATOM 796 CD2 LEU A 103 59.121 64.730 12.525 1.00 51.86 C
ATOM 797 C LEU A 103 55.745 61.827 12.476 1.00 50.96 C
ATOM 798 O LEU A 103 55.017 62.768 12.159 1.00 50.23 O
ATOM 799 N ASN A 104 55.414 60.576 12.234 1.00 50.35 N
ATOM 800 CA ASN A 104 54.198 60.306 11.472 1.00 49.71 C
ATOM 801 CB ASN A 104 54.297 58.939 10.841 1.00 48.97 C
ATOM 802 CG ASN A 104 54.959 58.995 9.452 1.00 49.28 C
ATOM 803 OD1 ASN A 104 54.462 59.672 8.564 1.00 49.86 O
ATOM 804 ND2 ASN A 104 56.066 58.316 9.282 1.00 46.05 N
ATOM 805 C ASN A 104 52.961 60.446 12.354 1.00 50.89 C
ATOM 806 O ASN A 104 51.888 60.859 11.869 1.00 49.67 O
ATOM 807 N CYS A 105 53.122 60.152 13.667 1.00 50.82 N
ATOM 808 CA CYS A 105 52.053 60.382 14.655 1.00 51.09 C
ATOM 809 CB CYS A 105 52.502 60.009 16.015 1.00 51.02 C
ATOM 810 SG CYS A 105 52.193 58.339 16.236 1.00 57.18 S
ATOM 811 C CYS A 105 51.754 61.818 14.722 1.00 50.39 C
ATOM 812 O CYS A 105 50.589 62.209 14.689 1.00 50.69 O
ATOM 813 N MET A 106 52.819 62.604 14.826 1.00 49.68 N
ATOM 814 CA MET A 106 52.727 64.052 14.784 1.00 50.12 C
ATOM 815 CB MET A 106 54.116 64.660 14.875 1.00 49.30 C
ATOM 816 CG MET A 106 54.807 64.407 16.220 1.00 49.36 C
ATOM 817 SD MET A 106 56.498 65.049 16.248 1.00 52.66 S
ATOM 818 CE MET A 106 56.216 66.875 16.272 1.00 40.55 C
ATOM 819 C MET A 106 51.988 64.565 13.563 1.00 51.26 C
ATOM 820 O MET A 106 51.023 65.317 13.709 1.00 52.30 O
ATOM 821 N ALA A 107 52.397 64.126 12.363 1.00 51.19 N
ATOM 822 CA ALA A 107 51.761 64.549 11.151 1.00 51.76 C
ATOM 823 CB ALA A 107 52.482 63.973 9.987 1.00 52.85 C
ATOM 824 C ALA A 107 50.303 64.157 11.091 1.00 52.37 C
ATOM 825 O ALA A 107 49.501 64.806 10.391 1.00 52.75 O
ATOM 826 N LYS A 108 49.937 63.084 11.780 1.00 52.32 N
ATOM 827 CA LYS A 108 48.524 62.660 11.764 1.00 52.64 C
ATOM 828 CB LYS A 108 48.401 61.120 11.630 1.00 53.40 C
ATOM 829 CG LYS A 108 48.739 60.456 10.225 1.00 54.56 C
ATOM 830 CD LYS A 108 47.966 61.029 8.914 1.00 58.89 C
ATOM 831 CE LYS A 108 46.371 61.014 8.883 1.00 55.74 C
ATOM 832 NZ LYS A 108 45.885 59.953 7.979 1.00 54.75 N
ATOM 833 C LYS A 108 47.649 63.231 12.948 1.00 52.21 C
ATOM 834 O LYS A 108 46.410 63.151 12.911 1.00 51.21 O
ATOM 835 N SER A 109 48.297 63.832 13.954 1.00 52.18 N
ATOM 836 CA SER A 109 47.658 64.309 15.205 1.00 51.88 C
ATOM 837 CB SER A 109 48.672 64.331 16.347 1.00 51.64 C
ATOM 838 OG SER A 109 48.017 64.529 17.593 1.00 52.25 O
ATOM 839 C SER A 109 47.015 65.700 15.066 1.00 52.28 C
ATOM 840 O SER A 109 47.617 66.621 14.498 1.00 51.87 O
ATOM 841 N PRO A 110 45.760 65.849 15.555 1.00 53.28 N
ATOM 842 CA PRO A 110 45.089 67.179 15.559 1.00 53.31 C
ATOM 843 CB PRO A 110 43.677 66.875 16.075 1.00 53.33 C
ATOM 844 CG PRO A 110 43.522 65.353 15.909 1.00 53.71 C
ATOM 845 CD PRO A 110 44.884 64.774 16.081 1.00 53.10 C
ATOM 846 C PRO A 110 45.778 68.219 16.463 1.00 53.38 C
ATOM 847 O PRO A 110 45.578 69.421 16.256 1.00 53.61 O
ATOM 848 N PHE A 111 46.599 67.758 17.426 1.00 53.03 N
ATOM 849 CA PHE A 111 47.231 68.652 18.413 1.00 51.95 C
ATOM 850 CB PHE A 111 48.017 67.841 19.435 1.00 50.65 C
ATOM 851 CG PHE A 111 48.534 68.666 20.584 1.00 50.02 C
ATOM 852 CD1 PHE A 111 47.652 69.222 21.532 1.00 48.97 C
ATOM 853 CE1 PHE A 111 48.110 70.031 22.602 1.00 45.97 C
ATOM 854 CZ PHE A 111 49.450 70.261 22.712 1.00 51.72 C
ATOM 855 CE2 PHE A 111 50.359 69.675 21.783 1.00 49.95 C
ATOM 856 CD2 PHE A 111 49.897 68.885 20.741 1.00 50.41 C
ATOM 857 C PHE A 111 48.093 69.779 17.814 1.00 52.21 C
ATOM 858 O PHE A 111 48.064 70.932 18.260 1.00 50.54 O
ATOM 859 N TRP A 112 48.837 69.405 16.783 1.00 53.37 N
ATOM 860 CA TRP A 112 49.898 70.209 16.213 1.00 54.58 C
ATOM 861 CB TRP A 112 50.964 69.312 15.523 1.00 53.34 C
ATOM 862 CG TRP A 112 51.492 68.320 16.463 1.00 51.89 C
ATOM 863 CD1 TRP A 112 51.373 66.961 16.387 1.00 50.30 C
ATOM 864 NE1 TRP A 112 51.913 66.376 17.514 1.00 50.36 N
ATOM 865 CE2 TRP A 112 52.370 67.358 18.361 1.00 51.15 C
ATOM 866 CD2 TRP A 112 52.117 68.602 17.737 1.00 52.02 C
ATOM 867 CE3 TRP A 112 52.514 69.785 18.393 1.00 45.92 C
ATOM 868 CZ3 TRP A 112 53.110 69.685 19.665 1.00 49.31 C
ATOM 869 CH2 TRP A 112 53.346 68.454 20.253 1.00 50.48 C
ATOM 870 CZ2 TRP A 112 53.016 67.267 19.615 1.00 51.52 C
ATOM 871 C TRP A 112 49.337 71.210 15.247 1.00 56.74 C
ATOM 872 O TRP A 112 49.945 72.251 15.018 1.00 57.47 O
ATOM 873 N ARG A 113 48.163 70.930 14.702 1.00 59.00 N
ATOM 874 CA ARG A 113 47.717 71.713 13.550 1.00 60.88 C
ATOM 875 CB ARG A 113 46.729 70.960 12.707 1.00 61.20 C
ATOM 876 CG ARG A 113 45.616 70.328 13.463 1.00 63.80 C
ATOM 877 CD ARG A 113 44.896 69.370 12.488 1.00 70.03 C
ATOM 878 NE ARG A 113 45.826 68.346 11.978 1.00 72.12 N
ATOM 879 CZ ARG A 113 45.493 67.093 11.655 1.00 71.45 C
ATOM 880 NH1 ARG A 113 44.236 66.669 11.794 1.00 68.72 N
ATOM 881 NH2 ARG A 113 46.431 66.259 11.207 1.00 70.66 N
ATOM 882 C ARG A 113 47.199 73.099 13.859 1.00 61.89 C
ATOM 883 O ARG A 113 46.904 73.857 12.924 1.00 61.74 O
ATOM 884 N SER A 114 47.137 73.459 15.146 1.00 62.55 N
ATOM 885 CA SER A 114 46.681 74.809 15.503 1.00 63.64 C
ATOM 886 CB SER A 114 45.147 74.913 15.405 1.00 64.19 C
ATOM 887 OG SER A 114 44.568 73.797 16.078 1.00 66.92 O
ATOM 888 C SER A 114 47.179 75.263 16.872 1.00 62.72 C
ATOM 889 O SER A 114 47.492 74.444 17.730 1.00 63.49 O
ATOM 890 N GLY A 115 47.264 76.579 17.046 1.00 61.89 N
ATOM 891 CA GLY A 115 47.634 77.181 18.320 1.00 60.02 C
ATOM 892 C GLY A 115 49.117 77.252 18.607 1.00 59.24 C
ATOM 893 O GLY A 115 49.497 77.440 19.764 1.00 59.00 O
ATOM 894 N PHE A 116 49.955 77.066 17.572 1.00 58.40 N
ATOM 895 CA PHE A 116 51.433 77.209 17.658 1.00 57.22 C
ATOM 896 CB PHE A 116 52.133 75.845 17.683 1.00 57.32 C
ATOM 897 CG PHE A 116 51.802 74.987 18.867 1.00 55.32 C
ATOM 898 CD1 PHE A 116 50.983 73.882 18.721 1.00 56.05 C
ATOM 899 CE1 PHE A 116 50.695 73.046 19.810 1.00 54.96 C
ATOM 900 CZ PHE A 116 51.221 73.361 21.089 1.00 56.53 C
ATOM 901 CE2 PHE A 116 52.039 74.482 21.233 1.00 55.35 C
ATOM 902 CD2 PHE A 116 52.324 75.279 20.121 1.00 55.35 C
ATOM 903 C PHE A 116 51.960 77.931 16.430 1.00 57.21 C
ATOM 904 O PHE A 116 51.412 77.740 15.355 1.00 56.95 O
ATOM 905 N GLN A 117 52.999 78.758 16.573 1.00 56.94 N
ATOM 906 CA GLN A 117 53.819 79.181 15.413 1.00 57.15 C
ATOM 907 CB GLN A 117 54.570 80.541 15.626 1.00 58.01 C
ATOM 908 CG GLN A 117 53.758 81.840 16.003 1.00 61.63 C
ATOM 909 CD GLN A 117 52.814 81.686 17.257 1.00 68.69 C
ATOM 910 OE1 GLN A 117 53.255 81.437 18.406 1.00 70.49 O
ATOM 911 NE2 GLN A 117 51.506 81.847 17.019 1.00 69.47 N
ATOM 912 C GLN A 117 54.817 78.014 15.215 1.00 55.81 C
ATOM 913 O GLN A 117 55.032 77.246 16.131 1.00 55.77 O
ATOM 914 N TRP A 118 55.415 77.878 14.036 1.00 54.88 N
ATOM 915 CA TRP A 118 56.355 76.790 13.747 1.00 53.94 C
ATOM 916 CB TRP A 118 55.700 75.793 12.805 1.00 53.80 C
ATOM 917 CG TRP A 118 54.664 75.003 13.449 1.00 53.88 C
ATOM 918 CD1 TRP A 118 53.340 75.318 13.538 1.00 54.63 C
ATOM 919 NE1 TRP A 118 52.676 74.329 14.260 1.00 57.22 N
ATOM 920 CE2 TRP A 118 53.560 73.342 14.601 1.00 52.13 C
ATOM 921 CD2 TRP A 118 54.833 73.735 14.119 1.00 52.75 C
ATOM 922 CE3 TRP A 118 55.929 72.901 14.352 1.00 51.72 C
ATOM 923 CZ3 TRP A 118 55.719 71.699 15.064 1.00 53.25 C
ATOM 924 CH2 TRP A 118 54.441 71.341 15.520 1.00 52.06 C
ATOM 925 CZ2 TRP A 118 53.350 72.148 15.294 1.00 54.21 C
ATOM 926 C TRP A 118 57.521 77.367 12.993 1.00 53.39 C
ATOM 927 O TRP A 118 57.325 78.248 12.205 1.00 52.38 O
ATOM 928 N HIS A 119 58.732 76.896 13.261 1.00 53.40 N
ATOM 929 CA HIS A 119 59.858 77.016 12.334 1.00 53.26 C
ATOM 930 CB HIS A 119 61.065 77.725 12.960 1.00 54.25 C
ATOM 931 CG HIS A 119 60.951 79.215 13.035 1.00 57.51 C
ATOM 932 ND1 HIS A 119 59.782 79.872 13.361 1.00 60.54 N
ATOM 933 CE1 HIS A 119 59.987 81.179 13.359 1.00 58.64 C
ATOM 934 NE2 HIS A 119 61.252 81.397 13.051 1.00 62.85 N
ATOM 935 CD2 HIS A 119 61.876 80.187 12.828 1.00 65.10 C
ATOM 936 C HIS A 119 60.234 75.586 12.107 1.00 53.11 C
ATOM 937 O HIS A 119 60.516 74.855 13.058 1.00 52.76 O
ATOM 938 N VAL A 120 60.247 75.153 10.862 1.00 53.13 N
ATOM 939 CA VAL A 120 60.456 73.750 10.600 1.00 53.77 C
ATOM 940 CB VAL A 120 59.238 73.196 9.898 1.00 53.92 C
ATOM 941 CG1 VAL A 120 59.534 71.777 9.434 1.00 55.28 C
ATOM 942 CG2 VAL A 120 58.004 73.243 10.870 1.00 54.16 C
ATOM 943 C VAL A 120 61.700 73.484 9.768 1.00 53.53 C
ATOM 944 O VAL A 120 61.770 73.984 8.703 1.00 53.05 O
ATOM 945 N LYS A 121 62.679 72.701 10.230 1.00 53.80 N
ATOM 946 CA LYS A 121 63.870 72.435 9.388 1.00 53.59 C
ATOM 947 CB LYS A 121 65.128 72.990 10.059 1.00 53.08 C
ATOM 948 CG LYS A 121 66.441 72.671 9.369 1.00 54.47 C
ATOM 949 CD LYS A 121 66.776 73.580 8.168 1.00 56.32 C
ATOM 950 CE LYS A 121 66.214 73.063 6.766 1.00 58.09 C
ATOM 951 NZ LYS A 121 66.920 73.620 5.513 1.00 58.58 N
ATOM 952 C LYS A 121 63.998 70.926 9.100 1.00 53.79 C
ATOM 953 O LYS A 121 63.977 70.127 10.006 1.00 53.54 O
ATOM 954 N ARG A 122 64.115 70.552 7.831 1.00 53.92 N
ATOM 955 CA ARG A 122 64.221 69.157 7.335 1.00 53.26 C
ATOM 956 CB ARG A 122 63.276 69.016 6.139 1.00 53.99 C
ATOM 957 CG ARG A 122 62.395 67.817 6.117 1.00 55.65 C
ATOM 958 CD ARG A 122 63.109 66.610 5.573 1.00 53.69 C
ATOM 959 NE ARG A 122 62.107 65.599 5.053 1.00 49.81 N
ATOM 960 CZ ARG A 122 62.556 64.387 4.748 1.00 48.54 C
ATOM 961 NH1 ARG A 122 63.954 64.139 4.916 1.00 48.13 N
ATOM 962 NH2 ARG A 122 61.653 63.437 4.312 1.00 42.55 N
ATOM 963 C ARG A 122 65.620 68.951 6.777 1.00 53.18 C
ATOM 964 O ARG A 122 65.963 69.487 5.754 1.00 50.17 O
ATOM 965 N LEU A 123 66.452 68.203 7.452 1.00 53.99 N
ATOM 966 CA LEU A 123 67.764 67.891 6.885 1.00 54.88 C
ATOM 967 CB LEU A 123 68.763 67.646 8.039 1.00 56.25 C
ATOM 968 CG LEU A 123 69.371 68.902 8.679 1.00 57.54 C
ATOM 969 CD1 LEU A 123 68.784 70.182 8.057 1.00 59.37 C
ATOM 970 CD2 LEU A 123 69.335 68.973 10.142 1.00 49.46 C
ATOM 971 C LEU A 123 67.639 66.638 6.024 1.00 54.50 C
ATOM 972 O LEU A 123 66.796 65.719 6.307 1.00 55.14 O
ATOM 973 N ARG A 124 68.475 66.599 4.982 1.00 54.79 N
ATOM 974 CA ARG A 124 68.565 65.457 4.023 1.00 53.70 C
ATOM 975 CB ARG A 124 68.295 65.876 2.600 1.00 53.58 C
ATOM 976 CG ARG A 124 67.162 66.860 2.444 1.00 56.44 C
ATOM 977 CD ARG A 124 65.933 66.265 3.071 1.00 56.87 C
ATOM 978 NE ARG A 124 65.128 65.535 2.113 1.00 59.19 N
ATOM 979 CZ ARG A 124 64.095 66.104 1.516 1.00 63.97 C
ATOM 980 NH1 ARG A 124 63.803 67.377 1.821 1.00 65.54 N
ATOM 981 NH2 ARG A 124 63.364 65.423 0.635 1.00 64.86 N
ATOM 982 C ARG A 124 69.905 64.788 4.049 1.00 53.02 C
ATOM 983 O ARG A 124 70.908 65.331 4.521 1.00 51.66 O
ATOM 984 N LEU A 125 69.910 63.553 3.577 1.00 53.82 N
ATOM 985 CA LEU A 125 71.164 63.059 3.095 1.00 54.00 C
ATOM 986 CB LEU A 125 71.412 61.576 3.479 1.00 53.72 C
ATOM 987 CG LEU A 125 70.786 60.406 2.736 1.00 52.93 C
ATOM 988 CD1 LEU A 125 71.544 59.105 2.947 1.00 50.25 C
ATOM 989 CD2 LEU A 125 69.327 60.299 3.121 1.00 51.66 C
ATOM 990 C LEU A 125 71.266 63.454 1.577 1.00 54.63 C
ATOM 991 O LEU A 125 70.265 63.577 0.792 1.00 54.61 O
ATOM 992 N GLY A 126 72.493 63.797 1.221 1.00 55.00 N
ATOM 993 CA GLY A 126 72.852 64.064 -0.128 1.00 53.77 C
ATOM 994 C GLY A 126 73.774 62.923 -0.434 1.00 53.72 C
ATOM 995 O GLY A 126 73.379 61.727 -0.261 1.00 53.54 O
ATOM 996 N ASP A 127 75.014 63.282 -0.827 1.00 54.80 N
ATOM 997 CA ASP A 127 75.974 62.256 -1.184 1.00 55.24 C
ATOM 998 CB ASP A 127 77.349 62.931 -1.257 1.00 55.73 C
ATOM 999 CG ASP A 127 78.357 62.133 -2.145 1.00 57.85 C
ATOM 1000 OD1 ASP A 127 78.031 61.132 -2.989 1.00 57.44 O
ATOM 1001 OD2 ASP A 127 79.537 62.566 -1.958 1.00 60.36 O
ATOM 1002 C ASP A 127 75.952 61.065 -0.182 1.00 55.28 C
ATOM 1003 O ASP A 127 76.248 61.234 1.020 1.00 54.95 O
ATOM 1004 N SER A 128 75.538 59.897 -0.687 1.00 55.01 N
ATOM 1005 CA SER A 128 75.779 58.612 -0.043 1.00 55.97 C
ATOM 1006 CB SER A 128 75.637 57.497 -1.074 1.00 57.03 C
ATOM 1007 OG SER A 128 74.366 56.888 -1.030 1.00 57.97 O
ATOM 1008 C SER A 128 77.185 58.472 0.513 1.00 56.34 C
ATOM 1009 O SER A 128 77.396 57.867 1.533 1.00 56.27 O
ATOM 1010 N ASP A 129 78.158 58.994 -0.221 1.00 57.17 N
ATOM 1011 CA ASP A 129 79.576 58.852 0.109 1.00 57.80 C
ATOM 1012 CB ASP A 129 80.439 59.108 -1.165 1.00 58.50 C
ATOM 1013 CG ASP A 129 80.866 57.817 -1.810 1.00 61.63 C
ATOM 1014 OD1 ASP A 129 80.611 56.733 -1.191 1.00 65.08 O
ATOM 1015 OD2 ASP A 129 81.455 57.878 -2.925 1.00 66.49 O
ATOM 1016 C ASP A 129 80.048 59.747 1.252 1.00 57.02 C
ATOM 1017 O ASP A 129 80.966 59.327 2.022 1.00 56.97 O
ATOM 1018 N ALA A 130 79.494 60.991 1.291 1.00 57.00 N
ATOM 1019 CA ALA A 130 79.725 61.918 2.400 1.00 57.16 C
ATOM 1020 CB ALA A 130 79.303 63.280 2.052 1.00 57.52 C
ATOM 1021 C ALA A 130 78.893 61.384 3.568 1.00 57.32 C
ATOM 1022 O ALA A 130 79.412 61.232 4.665 1.00 56.99 O
ATOM 1023 N PHE A 131 77.642 60.996 3.330 1.00 56.87 N
ATOM 1024 CA PHE A 131 76.947 60.323 4.398 1.00 56.77 C
ATOM 1025 CB PHE A 131 75.602 59.679 4.031 1.00 56.44 C
ATOM 1026 CG PHE A 131 74.930 58.992 5.241 1.00 58.20 C
ATOM 1027 CD1 PHE A 131 75.224 57.640 5.576 1.00 55.95 C
ATOM 1028 CE1 PHE A 131 74.652 57.022 6.706 1.00 52.90 C
ATOM 1029 CZ PHE A 131 73.772 57.771 7.532 1.00 54.97 C
ATOM 1030 CE2 PHE A 131 73.481 59.092 7.218 1.00 52.12 C
ATOM 1031 CD2 PHE A 131 74.085 59.723 6.118 1.00 56.58 C
ATOM 1032 C PHE A 131 77.848 59.288 5.074 1.00 56.73 C
ATOM 1033 O PHE A 131 78.010 59.308 6.273 1.00 58.19 O
ATOM 1034 N LEU A 132 78.455 58.384 4.342 1.00 56.52 N
ATOM 1035 CA LEU A 132 79.158 57.289 5.023 1.00 56.07 C
ATOM 1036 CB LEU A 132 79.554 56.209 4.033 1.00 56.14 C
ATOM 1037 CG LEU A 132 78.815 54.895 3.753 1.00 58.63 C
ATOM 1038 CD1 LEU A 132 78.086 54.310 4.940 1.00 57.95 C
ATOM 1039 CD2 LEU A 132 77.897 55.012 2.565 1.00 61.10 C
ATOM 1040 C LEU A 132 80.380 57.776 5.787 1.00 55.07 C
ATOM 1041 O LEU A 132 80.750 57.205 6.782 1.00 54.16 O
ATOM 1042 N THR A 133 81.009 58.836 5.306 1.00 54.99 N
ATOM 1043 CA THR A 133 82.124 59.461 6.032 1.00 55.65 C
ATOM 1044 CB THR A 133 82.783 60.571 5.171 1.00 55.20 C
ATOM 1045 OG1 THR A 133 83.355 59.979 4.002 1.00 50.83 O
ATOM 1046 CG2 THR A 133 83.853 61.303 5.950 1.00 55.02 C
ATOM 1047 C THR A 133 81.664 60.037 7.372 1.00 56.91 C
ATOM 1048 O THR A 133 82.202 59.749 8.432 1.00 57.64 O
ATOM 1049 N ARG A 134 80.659 60.873 7.309 1.00 57.77 N
ATOM 1050 CA ARG A 134 80.017 61.357 8.479 1.00 59.25 C
ATOM 1051 CB ARG A 134 78.757 62.034 7.994 1.00 59.84 C
ATOM 1052 CG ARG A 134 78.233 63.045 8.863 1.00 62.42 C
ATOM 1053 CD ARG A 134 77.570 64.032 7.991 1.00 70.13 C
ATOM 1054 NE ARG A 134 76.259 63.591 7.500 1.00 71.94 N
ATOM 1055 CZ ARG A 134 75.933 63.527 6.207 1.00 73.32 C
ATOM 1056 NH1 ARG A 134 76.834 63.842 5.258 1.00 74.15 N
ATOM 1057 NH2 ARG A 134 74.704 63.151 5.863 1.00 72.41 N
ATOM 1058 C ARG A 134 79.706 60.160 9.427 1.00 59.04 C
ATOM 1059 O ARG A 134 80.137 60.139 10.576 1.00 59.96 O
ATOM 1060 N ALA A 135 79.023 59.147 8.916 1.00 57.71 N
ATOM 1061 CA ALA A 135 78.647 57.973 9.702 1.00 58.01 C
ATOM 1062 CB ALA A 135 77.770 57.031 8.891 1.00 57.59 C
ATOM 1063 C ALA A 135 79.771 57.205 10.381 1.00 57.39 C
ATOM 1064 O ALA A 135 79.659 56.923 11.544 1.00 58.25 O
ATOM 1065 N LYS A 136 80.828 56.865 9.661 1.00 57.45 N
ATOM 1066 CA LYS A 136 82.028 56.268 10.241 1.00 57.72 C
ATOM 1067 CB LYS A 136 83.033 55.906 9.125 1.00 57.90 C
ATOM 1068 CG LYS A 136 82.576 54.784 8.206 1.00 56.78 C
ATOM 1069 CD LYS A 136 83.332 54.697 6.883 1.00 59.01 C
ATOM 1070 CE LYS A 136 84.828 54.383 7.046 1.00 64.62 C
ATOM 1071 NZ LYS A 136 85.424 53.537 5.902 1.00 66.49 N
ATOM 1072 C LYS A 136 82.696 57.101 11.376 1.00 58.29 C
ATOM 1073 O LYS A 136 83.174 56.523 12.358 1.00 58.39 O
ATOM 1074 N GLN A 137 82.727 58.435 11.266 1.00 57.90 N
ATOM 1075 CA GLN A 137 83.169 59.246 12.386 1.00 58.97 C
ATOM 1076 CB GLN A 137 83.143 60.714 12.013 1.00 60.41 C
ATOM 1077 CG GLN A 137 83.174 61.582 13.256 1.00 67.58 C
ATOM 1078 CD GLN A 137 84.602 61.755 13.825 1.00 76.34 C
ATOM 1079 OE1 GLN A 137 85.530 60.989 13.490 1.00 75.58 O
ATOM 1080 NE2 GLN A 137 84.778 62.786 14.682 1.00 78.47 N
ATOM 1081 C GLN A 137 82.317 59.100 13.653 1.00 58.06 C
ATOM 1082 O GLN A 137 82.845 58.915 14.750 1.00 58.86 O
ATOM 1083 N ARG A 138 81.002 59.237 13.499 1.00 56.45 N
ATOM 1084 CA ARG A 138 80.071 59.056 14.581 1.00 54.99 C
ATOM 1085 CB ARG A 138 78.647 59.195 14.100 1.00 54.95 C
ATOM 1086 CG ARG A 138 77.592 59.163 15.246 1.00 58.60 C
ATOM 1087 CD ARG A 138 77.998 60.215 16.324 1.00 67.95 C
ATOM 1088 NE ARG A 138 76.981 60.456 17.349 1.00 75.90 N
ATOM 1089 CZ ARG A 138 75.852 61.136 17.121 1.00 78.33 C
ATOM 1090 NH1 ARG A 138 75.607 61.657 15.903 1.00 77.92 N
ATOM 1091 NH2 ARG A 138 74.976 61.301 18.108 1.00 76.80 N
ATOM 1092 C ARG A 138 80.256 57.705 15.226 1.00 54.78 C
ATOM 1093 O ARG A 138 80.289 57.614 16.455 1.00 56.23 O
ATOM 1094 N VAL A 139 80.398 56.654 14.423 1.00 53.40 N
ATOM 1095 CA VAL A 139 80.546 55.308 14.998 1.00 52.78 C
ATOM 1096 CB VAL A 139 80.371 54.125 13.973 1.00 51.24 C
ATOM 1097 CG1 VAL A 139 80.464 52.830 14.681 1.00 49.18 C
ATOM 1098 CG2 VAL A 139 79.043 54.227 13.350 1.00 48.07 C
ATOM 1099 C VAL A 139 81.849 55.245 15.787 1.00 52.86 C
ATOM 1100 O VAL A 139 81.871 54.709 16.895 1.00 52.20 O
ATOM 1101 N ALA A 140 82.928 55.781 15.239 1.00 53.92 N
ATOM 1102 CA ALA A 140 84.177 55.703 15.997 1.00 56.58 C
ATOM 1103 CB ALA A 140 85.391 56.191 15.189 1.00 56.49 C
ATOM 1104 C ALA A 140 84.069 56.427 17.363 1.00 58.43 C
ATOM 1105 O ALA A 140 84.708 55.984 18.339 1.00 59.56 O
ATOM 1106 N GLU A 141 83.263 57.498 17.442 1.00 58.50 N
ATOM 1107 CA GLU A 141 83.056 58.184 18.710 1.00 59.71 C
ATOM 1108 CB GLU A 141 82.356 59.494 18.489 1.00 59.79 C
ATOM 1109 CG GLU A 141 83.247 60.533 17.859 1.00 66.49 C
ATOM 1110 CD GLU A 141 82.414 61.716 17.428 1.00 72.23 C
ATOM 1111 OE1 GLU A 141 82.437 62.110 16.210 1.00 74.61 O
ATOM 1112 OE2 GLU A 141 81.709 62.211 18.340 1.00 75.26 O
ATOM 1113 C GLU A 141 82.240 57.385 19.721 1.00 59.07 C
ATOM 1114 O GLU A 141 82.512 57.417 20.949 1.00 58.84 O
ATOM 1115 N MET A 142 81.215 56.704 19.209 1.00 58.33 N
ATOM 1116 CA MET A 142 80.395 55.795 20.006 1.00 56.17 C
ATOM 1117 CB MET A 142 79.297 55.273 19.117 1.00 57.00 C
ATOM 1118 CG MET A 142 78.266 56.262 18.663 1.00 55.59 C
ATOM 1119 SD MET A 142 77.069 55.335 17.648 1.00 57.99 S
ATOM 1120 CE MET A 142 75.757 56.623 17.555 1.00 54.98 C
ATOM 1121 C MET A 142 81.223 54.601 20.493 1.00 55.87 C
ATOM 1122 O MET A 142 80.882 53.949 21.442 1.00 54.90 O
ATOM 1123 N PHE A 143 82.295 54.297 19.769 1.00 56.90 N
ATOM 1124 CA PHE A 143 83.277 53.254 20.119 1.00 57.59 C
ATOM 1125 CB PHE A 143 83.852 52.731 18.842 1.00 56.56 C
ATOM 1126 CG PHE A 143 83.114 51.577 18.279 1.00 55.83 C
ATOM 1127 CD1 PHE A 143 81.758 51.465 18.431 1.00 54.35 C
ATOM 1128 CE1 PHE A 143 81.098 50.347 17.917 1.00 54.74 C
ATOM 1129 CZ PHE A 143 81.789 49.372 17.214 1.00 52.26 C
ATOM 1130 CE2 PHE A 143 83.123 49.472 17.053 1.00 52.41 C
ATOM 1131 CD2 PHE A 143 83.803 50.582 17.572 1.00 53.58 C
ATOM 1132 C PHE A 143 84.440 53.757 21.024 1.00 58.44 C
ATOM 1133 O PHE A 143 85.100 52.965 21.635 1.00 57.85 O
ATOM 1134 N ALA A 144 84.643 55.071 21.157 1.00 60.44 N
ATOM 1135 CA ALA A 144 85.720 55.607 22.030 1.00 62.38 C
ATOM 1136 CB ALA A 144 85.832 57.110 21.900 1.00 61.67 C
ATOM 1137 C ALA A 144 85.558 55.200 23.503 1.00 64.18 C
ATOM 1138 O ALA A 144 84.464 55.364 24.119 1.00 63.22 O
ATOM 1139 N ILE A 145 86.645 54.650 24.062 1.00 66.27 N
ATOM 1140 CA ILE A 145 86.672 54.319 25.496 1.00 69.29 C
ATOM 1141 CB ILE A 145 87.837 53.369 25.914 1.00 68.68 C
ATOM 1142 CG1 ILE A 145 87.660 51.997 25.250 1.00 69.30 C
ATOM 1143 CD1 ILE A 145 88.974 51.210 24.923 1.00 70.93 C
ATOM 1144 CG2 ILE A 145 87.804 53.176 27.433 1.00 68.59 C
ATOM 1145 C ILE A 145 86.725 55.632 26.274 1.00 70.58 C
ATOM 1146 O ILE A 145 87.688 56.374 26.159 1.00 71.23 O
ATOM 1147 N ARG A 146 85.671 55.951 27.017 1.00 72.17 N
ATOM 1148 CA ARG A 146 85.634 57.239 27.694 1.00 73.07 C
ATOM 1149 CB ARG A 146 84.526 58.167 27.158 1.00 72.42 C
ATOM 1150 CG ARG A 146 84.884 58.869 25.842 1.00 73.47 C
ATOM 1151 CD ARG A 146 83.666 59.497 25.134 1.00 73.53 C
ATOM 1152 NE ARG A 146 84.016 60.788 24.524 1.00 78.77 N
ATOM 1153 CZ ARG A 146 84.261 61.936 25.204 1.00 81.65 C
ATOM 1154 NH1 ARG A 146 84.202 62.010 26.547 1.00 79.84 N
ATOM 1155 NH2 ARG A 146 84.566 63.058 24.539 1.00 82.43 N
ATOM 1156 C ARG A 146 85.482 57.051 29.173 1.00 74.06 C
ATOM 1157 O ARG A 146 84.792 56.134 29.639 1.00 73.88 O
ATOM 1158 N GLU A 147 86.166 57.941 29.892 1.00 75.68 N
ATOM 1159 CA GLU A 147 85.995 58.147 31.333 1.00 76.88 C
ATOM 1160 CB GLU A 147 86.636 59.492 31.785 1.00 77.18 C
ATOM 1161 CG GLU A 147 87.360 59.395 33.148 1.00 80.12 C
ATOM 1162 CD GLU A 147 88.282 58.130 33.247 1.00 84.55 C
ATOM 1163 OE1 GLU A 147 87.799 57.053 33.707 1.00 84.77 O
ATOM 1164 OE2 GLU A 147 89.479 58.201 32.843 1.00 84.61 O
ATOM 1165 C GLU A 147 84.549 58.041 31.853 1.00 76.57 C
ATOM 1166 O GLU A 147 84.305 57.388 32.863 1.00 76.93 O
ATOM 1167 N ASP A 148 83.596 58.641 31.151 1.00 76.28 N
ATOM 1168 CA ASP A 148 82.315 58.968 31.756 1.00 75.85 C
ATOM 1169 CB ASP A 148 82.021 60.465 31.555 1.00 77.62 C
ATOM 1170 CG ASP A 148 82.829 61.120 30.381 1.00 79.17 C
ATOM 1171 OD1 ASP A 148 83.331 62.265 30.582 1.00 82.87 O
ATOM 1172 OD2 ASP A 148 82.942 60.539 29.283 1.00 80.31 O
ATOM 1173 C ASP A 148 81.109 58.211 31.264 1.00 75.01 C
ATOM 1174 O ASP A 148 80.007 58.277 31.887 1.00 76.29 O
ATOM 1175 N ARG A 149 81.278 57.536 30.119 1.00 72.09 N
ATOM 1176 CA ARG A 149 80.170 56.928 29.404 1.00 67.44 C
ATOM 1177 CB ARG A 149 79.541 57.871 28.397 1.00 67.03 C
ATOM 1178 CG ARG A 149 78.002 57.581 28.377 1.00 72.78 C
ATOM 1179 CD ARG A 149 77.297 57.670 26.980 1.00 73.15 C
ATOM 1180 NE ARG A 149 76.399 58.809 26.988 1.00 74.08 N
ATOM 1181 CZ ARG A 149 76.062 59.557 25.944 1.00 69.85 C
ATOM 1182 NH1 ARG A 149 76.501 59.265 24.708 1.00 56.69 N
ATOM 1183 NH2 ARG A 149 75.230 60.594 26.178 1.00 66.11 N
ATOM 1184 C ARG A 149 80.619 55.679 28.662 1.00 64.86 C
ATOM 1185 O ARG A 149 81.591 55.703 27.888 1.00 63.78 O
ATOM 1186 N PRO A 150 79.883 54.585 28.883 1.00 61.68 N
ATOM 1187 CA PRO A 150 80.199 53.332 28.211 1.00 60.08 C
ATOM 1188 CB PRO A 150 79.168 52.354 28.792 1.00 58.97 C
ATOM 1189 CG PRO A 150 78.087 53.185 29.350 1.00 60.79 C
ATOM 1190 CD PRO A 150 78.752 54.438 29.808 1.00 61.56 C
ATOM 1191 C PRO A 150 80.093 53.484 26.693 1.00 57.83 C
ATOM 1192 O PRO A 150 79.300 54.286 26.213 1.00 60.10 O
ATOM 1193 N SER A 151 80.945 52.791 25.961 1.00 55.56 N
ATOM 1194 CA SER A 151 80.854 52.723 24.528 1.00 53.41 C
ATOM 1195 CB SER A 151 82.081 52.057 23.981 1.00 51.66 C
ATOM 1196 OG SER A 151 82.030 50.650 24.278 1.00 56.40 O
ATOM 1197 C SER A 151 79.647 51.874 24.169 1.00 51.48 C
ATOM 1198 O SER A 151 79.077 51.202 25.049 1.00 50.58 O
ATOM 1199 N LEU A 152 79.336 51.866 22.869 1.00 49.86 N
ATOM 1200 CA LEU A 152 78.252 51.124 22.298 1.00 48.72 C
ATOM 1201 CB LEU A 152 78.203 51.435 20.800 1.00 48.10 C
ATOM 1202 CG LEU A 152 77.061 50.838 19.951 1.00 47.37 C
ATOM 1203 CD1 LEU A 152 76.965 51.687 18.679 1.00 49.53 C
ATOM 1204 CD2 LEU A 152 77.328 49.426 19.553 1.00 38.11 C
ATOM 1205 C LEU A 152 78.530 49.665 22.550 1.00 48.63 C
ATOM 1206 O LEU A 152 77.656 48.930 22.939 1.00 51.57 O
ATOM 1207 N LEU A 153 79.776 49.251 22.403 1.00 48.32 N
ATOM 1208 CA LEU A 153 80.148 47.844 22.596 1.00 47.88 C
ATOM 1209 CB LEU A 153 81.513 47.540 21.953 1.00 47.48 C
ATOM 1210 CG LEU A 153 81.505 47.628 20.416 1.00 47.86 C
ATOM 1211 CD1 LEU A 153 82.823 47.114 19.809 1.00 51.98 C
ATOM 1212 CD2 LEU A 153 80.319 46.855 19.794 1.00 47.23 C
ATOM 1213 C LEU A 153 80.090 47.448 24.058 1.00 48.06 C
ATOM 1214 O LEU A 153 79.740 46.275 24.378 1.00 49.81 O
ATOM 1215 N GLU A 154 80.358 48.395 24.963 1.00 47.52 N
ATOM 1216 CA GLU A 154 80.295 48.115 26.408 1.00 47.29 C
ATOM 1217 CB GLU A 154 81.062 49.162 27.208 1.00 48.49 C
ATOM 1218 CG GLU A 154 82.569 49.040 27.070 1.00 49.33 C
ATOM 1219 CD GLU A 154 83.295 50.207 27.738 1.00 54.06 C
ATOM 1220 OE1 GLU A 154 84.486 50.077 28.036 1.00 57.60 O
ATOM 1221 OE2 GLU A 154 82.690 51.262 27.995 1.00 51.35 O
ATOM 1222 C GLU A 154 78.841 48.014 26.916 1.00 47.67 C
ATOM 1223 O GLU A 154 78.533 47.140 27.743 1.00 48.27 O
ATOM 1224 N GLU A 155 77.973 48.906 26.439 1.00 46.50 N
ATOM 1225 CA GLU A 155 76.518 48.816 26.591 1.00 46.35 C
ATOM 1226 CB GLU A 155 75.878 49.923 25.734 1.00 47.49 C
ATOM 1227 CG GLU A 155 76.045 51.273 26.403 1.00 46.39 C
ATOM 1228 CD GLU A 155 75.491 52.382 25.602 1.00 50.40 C
ATOM 1229 OE1 GLU A 155 75.300 52.151 24.408 1.00 51.60 O
ATOM 1230 OE2 GLU A 155 75.265 53.504 26.142 1.00 54.07 O
ATOM 1231 C GLU A 155 75.972 47.582 26.070 1.00 47.54 C
ATOM 1232 O GLU A 155 75.161 46.903 26.731 1.00 48.92 O
ATOM 1233 N LEU A 156 76.369 47.268 24.835 1.00 47.94 N
ATOM 1234 CA LEU A 156 75.937 46.007 24.269 1.00 47.52 C
ATOM 1235 CB LEU A 156 76.359 45.841 22.776 1.00 46.30 C
ATOM 1236 CG LEU A 156 76.311 44.404 22.202 1.00 45.01 C
ATOM 1237 CD1 LEU A 156 74.872 43.951 22.138 1.00 38.12 C
ATOM 1238 CD2 LEU A 156 76.949 44.488 20.849 1.00 38.49 C
ATOM 1239 C LEU A 156 76.339 44.809 25.129 1.00 48.69 C
ATOM 1240 O LEU A 156 75.470 43.946 25.406 1.00 49.14 O
ATOM 1241 N ALA A 157 77.612 44.710 25.529 1.00 49.30 N
ATOM 1242 CA ALA A 157 78.049 43.541 26.353 1.00 49.22 C
ATOM 1243 CB ALA A 157 79.534 43.548 26.579 1.00 48.96 C
ATOM 1244 C ALA A 157 77.326 43.468 27.709 1.00 50.42 C
ATOM 1245 O ALA A 157 76.901 42.403 28.167 1.00 51.00 O
ATOM 1246 N GLU A 158 77.206 44.605 28.360 1.00 51.26 N
ATOM 1247 CA GLU A 158 76.473 44.733 29.629 1.00 52.74 C
ATOM 1248 CB GLU A 158 76.361 46.215 29.918 1.00 51.60 C
ATOM 1249 CG GLU A 158 76.229 46.742 31.353 1.00 57.03 C
ATOM 1250 CD GLU A 158 76.359 45.718 32.504 1.00 62.17 C
ATOM 1251 OE1 GLU A 158 75.347 45.494 33.203 1.00 64.25 O
ATOM 1252 OE2 GLU A 158 77.448 45.173 32.752 1.00 60.81 O
ATOM 1253 C GLU A 158 75.079 44.051 29.502 1.00 52.67 C
ATOM 1254 O GLU A 158 74.707 43.158 30.280 1.00 52.59 O
ATOM 1255 N LEU A 159 74.314 44.483 28.507 1.00 52.47 N
ATOM 1256 CA LEU A 159 72.918 44.097 28.385 1.00 50.62 C
ATOM 1257 CB LEU A 159 72.292 45.138 27.472 1.00 51.97 C
ATOM 1258 CG LEU A 159 71.360 46.351 27.798 1.00 48.57 C
ATOM 1259 CD1 LEU A 159 71.184 46.640 29.147 1.00 44.46 C
ATOM 1260 CD2 LEU A 159 71.532 47.504 26.970 1.00 49.68 C
ATOM 1261 C LEU A 159 72.778 42.632 27.856 1.00 51.06 C
ATOM 1262 O LEU A 159 71.731 41.940 28.070 1.00 51.34 O
ATOM 1263 N TRP A 160 73.822 42.118 27.210 1.00 49.87 N
ATOM 1264 CA TRP A 160 73.768 40.744 26.665 1.00 50.24 C
ATOM 1265 CB TRP A 160 75.004 40.413 25.798 1.00 49.64 C
ATOM 1266 CG TRP A 160 74.639 39.396 24.771 1.00 49.35 C
ATOM 1267 CD1 TRP A 160 75.016 38.081 24.753 1.00 50.61 C
ATOM 1268 NE1 TRP A 160 74.425 37.420 23.684 1.00 49.31 N
ATOM 1269 CE2 TRP A 160 73.630 38.310 23.008 1.00 52.01 C
ATOM 1270 CD2 TRP A 160 73.733 39.565 23.661 1.00 48.55 C
ATOM 1271 CE3 TRP A 160 72.992 40.646 23.163 1.00 50.71 C
ATOM 1272 CZ3 TRP A 160 72.188 40.436 22.029 1.00 48.34 C
ATOM 1273 CH2 TRP A 160 72.117 39.185 21.420 1.00 49.54 C
ATOM 1274 CZ2 TRP A 160 72.823 38.112 21.883 1.00 49.96 C
ATOM 1275 C TRP A 160 73.614 39.718 27.759 1.00 50.62 C
ATOM 1276 O TRP A 160 73.440 38.498 27.485 1.00 52.16 O
ATOM 1277 N ASN A 161 73.750 40.173 29.005 1.00 51.60 N
ATOM 1278 CA ASN A 161 73.591 39.269 30.147 1.00 52.41 C
ATOM 1279 CB ASN A 161 74.209 39.802 31.419 1.00 51.84 C
ATOM 1280 CG ASN A 161 75.686 39.956 31.293 1.00 53.80 C
ATOM 1281 OD1 ASN A 161 76.409 38.981 31.182 1.00 50.38 O
ATOM 1282 ND2 ASN A 161 76.144 41.198 31.225 1.00 57.26 N
ATOM 1283 C ASN A 161 72.157 38.926 30.376 1.00 52.41 C
ATOM 1284 O ASN A 161 71.871 37.788 30.734 1.00 53.30 O
ATOM 1285 N TYR A 162 71.262 39.869 30.118 1.00 51.72 N
ATOM 1286 CA TYR A 162 69.859 39.672 30.313 1.00 52.72 C
ATOM 1287 CB TYR A 162 69.238 41.016 30.698 1.00 57.28 C
ATOM 1288 CG TYR A 162 70.028 41.579 31.856 1.00 61.37 C
ATOM 1289 CD1 TYR A 162 69.721 41.197 33.184 1.00 64.35 C
ATOM 1290 CE1 TYR A 162 70.462 41.652 34.255 1.00 64.49 C
ATOM 1291 CZ TYR A 162 71.543 42.476 34.007 1.00 66.15 C
ATOM 1292 OH TYR A 162 72.303 42.948 35.067 1.00 66.85 O
ATOM 1293 CE2 TYR A 162 71.891 42.845 32.693 1.00 68.16 C
ATOM 1294 CD2 TYR A 162 71.141 42.392 31.632 1.00 64.66 C
ATOM 1295 C TYR A 162 69.297 39.094 29.029 1.00 52.80 C
ATOM 1296 O TYR A 162 69.186 39.803 28.017 1.00 51.76 O
ATOM 1297 N PRO A 163 68.981 37.766 29.038 1.00 52.13 N
ATOM 1298 CA PRO A 163 68.409 37.188 27.843 1.00 52.69 C
ATOM 1299 CB PRO A 163 67.945 35.772 28.301 1.00 51.86 C
ATOM 1300 CG PRO A 163 68.813 35.444 29.443 1.00 51.07 C
ATOM 1301 CD PRO A 163 69.070 36.781 30.136 1.00 51.84 C
ATOM 1302 C PRO A 163 67.245 38.056 27.304 1.00 52.96 C
ATOM 1303 O PRO A 163 67.155 38.239 26.097 1.00 53.13 O
ATOM 1304 N ALA A 164 66.397 38.628 28.160 1.00 54.06 N
ATOM 1305 CA ALA A 164 65.321 39.494 27.613 1.00 53.67 C
ATOM 1306 CB ALA A 164 64.303 39.813 28.668 1.00 54.51 C
ATOM 1307 C ALA A 164 65.736 40.714 26.758 1.00 53.46 C
ATOM 1308 O ALA A 164 64.946 41.140 25.900 1.00 54.73 O
ATOM 1309 N ALA A 165 66.975 41.227 26.937 1.00 51.63 N
ATOM 1310 CA ALA A 165 67.505 42.378 26.180 1.00 51.25 C
ATOM 1311 CB ALA A 165 68.741 42.928 26.822 1.00 49.92 C
ATOM 1312 C ALA A 165 67.854 41.972 24.781 1.00 52.00 C
ATOM 1313 O ALA A 165 67.790 42.781 23.868 1.00 52.17 O
ATOM 1314 N ARG A 166 68.268 40.710 24.623 1.00 51.08 N
ATOM 1315 CA ARG A 166 68.780 40.176 23.370 1.00 51.71 C
ATOM 1316 CB ARG A 166 69.108 38.674 23.531 1.00 51.51 C
ATOM 1317 CG ARG A 166 70.073 38.482 24.649 1.00 51.97 C
ATOM 1318 CD ARG A 166 70.587 37.111 24.673 1.00 54.50 C
ATOM 1319 NE ARG A 166 71.560 36.975 25.744 1.00 56.82 N
ATOM 1320 CZ ARG A 166 71.902 35.827 26.318 1.00 55.92 C
ATOM 1321 NH1 ARG A 166 71.352 34.651 25.964 1.00 57.32 N
ATOM 1322 NH2 ARG A 166 72.798 35.883 27.281 1.00 57.13 N
ATOM 1323 C ARG A 166 67.849 40.352 22.168 1.00 51.42 C
ATOM 1324 O ARG A 166 68.277 40.840 21.179 1.00 51.86 O
ATOM 1325 N PRO A 167 66.591 39.883 22.241 1.00 51.08 N
ATOM 1326 CA PRO A 167 65.742 40.148 21.054 1.00 50.75 C
ATOM 1327 CB PRO A 167 64.416 39.409 21.364 1.00 51.26 C
ATOM 1328 CG PRO A 167 64.628 38.700 22.702 1.00 50.08 C
ATOM 1329 CD PRO A 167 65.922 39.080 23.295 1.00 51.06 C
ATOM 1330 C PRO A 167 65.508 41.656 20.775 1.00 50.07 C
ATOM 1331 O PRO A 167 65.211 42.053 19.646 1.00 48.82 O
ATOM 1332 N ILE A 168 65.654 42.481 21.796 1.00 50.52 N
ATOM 1333 CA ILE A 168 65.289 43.905 21.672 1.00 50.21 C
ATOM 1334 CB ILE A 168 64.946 44.517 23.085 1.00 49.57 C
ATOM 1335 CG1 ILE A 168 63.677 43.837 23.553 1.00 47.73 C
ATOM 1336 CD1 ILE A 168 63.275 44.110 25.074 1.00 53.45 C
ATOM 1337 CG2 ILE A 168 64.678 46.009 23.003 1.00 47.53 C
ATOM 1338 C ILE A 168 66.441 44.547 20.938 1.00 51.18 C
ATOM 1339 O ILE A 168 66.229 45.238 19.935 1.00 54.78 O
ATOM 1340 N LEU A 169 67.664 44.274 21.396 1.00 50.62 N
ATOM 1341 CA LEU A 169 68.885 44.803 20.781 1.00 51.54 C
ATOM 1342 CB LEU A 169 70.114 44.352 21.569 1.00 49.24 C
ATOM 1343 CG LEU A 169 70.287 44.967 22.964 1.00 49.44 C
ATOM 1344 CD1 LEU A 169 71.443 44.382 23.745 1.00 46.73 C
ATOM 1345 CD2 LEU A 169 70.581 46.477 22.841 1.00 41.44 C
ATOM 1346 C LEU A 169 69.016 44.368 19.334 1.00 53.24 C
ATOM 1347 O LEU A 169 69.423 45.147 18.522 1.00 54.95 O
ATOM 1348 N GLU A 170 68.689 43.116 19.024 1.00 54.55 N
ATOM 1349 CA GLU A 170 68.614 42.595 17.613 1.00 56.89 C
ATOM 1350 CB GLU A 170 68.287 41.084 17.575 1.00 55.49 C
ATOM 1351 CG GLU A 170 69.491 40.201 17.900 1.00 57.87 C
ATOM 1352 CD GLU A 170 69.168 38.766 18.277 1.00 61.74 C
ATOM 1353 OE1 GLU A 170 70.076 38.008 18.719 1.00 69.58 O
ATOM 1354 OE2 GLU A 170 68.007 38.343 18.122 1.00 66.17 O
ATOM 1355 C GLU A 170 67.695 43.452 16.675 1.00 55.86 C
ATOM 1356 O GLU A 170 67.740 43.334 15.464 1.00 56.67 O
ATOM 1357 N ASP A 171 66.921 44.340 17.244 1.00 54.60 N
ATOM 1358 CA ASP A 171 65.990 45.127 16.495 1.00 55.57 C
ATOM 1359 CB ASP A 171 64.643 45.059 17.192 1.00 56.49 C
ATOM 1360 CG ASP A 171 63.588 44.455 16.320 1.00 65.43 C
ATOM 1361 OD1 ASP A 171 63.128 45.270 15.431 1.00 71.58 O
ATOM 1362 OD2 ASP A 171 63.284 43.204 16.496 1.00 64.31 O
ATOM 1363 C ASP A 171 66.367 46.576 16.497 1.00 55.17 C
ATOM 1364 O ASP A 171 65.563 47.411 16.103 1.00 55.70 O
ATOM 1365 N ILE A 172 67.526 46.908 17.061 1.00 54.43 N
ATOM 1366 CA ILE A 172 67.952 48.287 17.131 1.00 52.81 C
ATOM 1367 CB ILE A 172 68.188 48.730 18.594 1.00 53.05 C
ATOM 1368 CG1 ILE A 172 66.919 48.604 19.423 1.00 50.00 C
ATOM 1369 CD1 ILE A 172 67.210 48.850 20.939 1.00 54.03 C
ATOM 1370 CG2 ILE A 172 68.760 50.183 18.676 1.00 48.48 C
ATOM 1371 C ILE A 172 69.202 48.487 16.294 1.00 53.23 C
ATOM 1372 O ILE A 172 70.068 47.676 16.333 1.00 54.31 O
ATOM 1373 N ASP A 173 69.309 49.601 15.577 1.00 53.50 N
ATOM 1374 CA ASP A 173 70.420 49.776 14.625 1.00 52.96 C
ATOM 1375 CB ASP A 173 70.098 50.944 13.632 1.00 51.88 C
ATOM 1376 CG ASP A 173 69.110 50.514 12.493 1.00 56.37 C
ATOM 1377 OD1 ASP A 173 68.346 51.348 11.964 1.00 56.90 O
ATOM 1378 OD2 ASP A 173 69.087 49.300 12.100 1.00 61.92 O
ATOM 1379 C ASP A 173 71.726 50.028 15.367 1.00 52.63 C
ATOM 1380 O ASP A 173 71.719 50.714 16.377 1.00 53.16 O
ATOM 1381 N GLY A 174 72.852 49.601 14.787 1.00 52.15 N
ATOM 1382 CA GLY A 174 74.150 49.637 15.435 1.00 50.47 C
ATOM 1383 C GLY A 174 74.295 48.338 16.180 1.00 52.16 C
ATOM 1384 O GLY A 174 75.179 47.549 15.842 1.00 53.19 O
ATOM 1385 N TYR A 175 73.419 48.103 17.165 1.00 50.05 N
ATOM 1386 CA TYR A 175 73.506 46.916 17.986 1.00 52.31 C
ATOM 1387 CB TYR A 175 72.503 46.971 19.208 1.00 50.25 C
ATOM 1388 CG TYR A 175 72.831 48.103 20.142 1.00 49.55 C
ATOM 1389 CD1 TYR A 175 72.254 49.384 19.962 1.00 48.62 C
ATOM 1390 CE1 TYR A 175 72.609 50.400 20.723 1.00 46.16 C
ATOM 1391 CZ TYR A 175 73.552 50.290 21.742 1.00 46.78 C
ATOM 1392 OH TYR A 175 73.833 51.430 22.483 1.00 49.72 O
ATOM 1393 CE2 TYR A 175 74.195 49.052 21.952 1.00 53.03 C
ATOM 1394 CD2 TYR A 175 73.811 47.955 21.143 1.00 47.20 C
ATOM 1395 C TYR A 175 73.273 45.694 17.120 1.00 52.44 C
ATOM 1396 O TYR A 175 73.969 44.689 17.258 1.00 54.07 O
ATOM 1397 N ARG A 176 72.269 45.788 16.238 1.00 54.27 N
ATOM 1398 CA ARG A 176 71.829 44.705 15.282 1.00 53.77 C
ATOM 1399 CB ARG A 176 70.815 45.298 14.270 1.00 52.22 C
ATOM 1400 CG ARG A 176 69.975 44.236 13.580 1.00 58.41 C
ATOM 1401 CD ARG A 176 69.120 44.709 12.405 1.00 59.83 C
ATOM 1402 NE ARG A 176 68.419 45.941 12.792 1.00 70.84 N
ATOM 1403 CZ ARG A 176 67.576 46.600 11.986 1.00 76.65 C
ATOM 1404 NH1 ARG A 176 67.382 46.157 10.730 1.00 75.01 N
ATOM 1405 NH2 ARG A 176 66.925 47.706 12.429 1.00 78.66 N
ATOM 1406 C ARG A 176 73.071 44.289 14.527 1.00 52.86 C
ATOM 1407 O ARG A 176 73.467 43.101 14.476 1.00 51.09 O
ATOM 1408 N CYS A 177 73.704 45.287 13.939 1.00 51.88 N
ATOM 1409 CA CYS A 177 74.933 45.046 13.176 1.00 52.07 C
ATOM 1410 CB CYS A 177 75.518 46.378 12.698 1.00 52.24 C
ATOM 1411 SG CYS A 177 76.767 46.111 11.449 1.00 56.61 S
ATOM 1412 C CYS A 177 76.020 44.385 13.968 1.00 51.09 C
ATOM 1413 O CYS A 177 76.566 43.387 13.535 1.00 49.87 O
ATOM 1414 N ALA A 178 76.386 45.004 15.101 1.00 50.42 N
ATOM 1415 CA ALA A 178 77.417 44.490 15.999 1.00 49.03 C
ATOM 1416 CB ALA A 178 77.477 45.410 17.254 1.00 48.04 C
ATOM 1417 C ALA A 178 77.114 43.041 16.366 1.00 49.68 C
ATOM 1418 O ALA A 178 78.003 42.152 16.386 1.00 50.97 O
ATOM 1419 N ILE A 179 75.839 42.744 16.621 1.00 50.15 N
ATOM 1420 CA ILE A 179 75.453 41.366 16.955 1.00 47.87 C
ATOM 1421 CB ILE A 179 74.021 41.309 17.502 1.00 48.48 C
ATOM 1422 CG1 ILE A 179 73.914 41.990 18.868 1.00 42.91 C
ATOM 1423 CD1 ILE A 179 72.488 42.381 19.248 1.00 47.88 C
ATOM 1424 CG2 ILE A 179 73.551 39.834 17.639 1.00 41.77 C
ATOM 1425 C ILE A 179 75.581 40.389 15.746 1.00 51.30 C
ATOM 1426 O ILE A 179 76.112 39.245 15.883 1.00 50.31 O
ATOM 1427 N ARG A 180 75.071 40.832 14.588 1.00 52.49 N
ATOM 1428 CA ARG A 180 75.187 40.101 13.333 1.00 55.84 C
ATOM 1429 CB ARG A 180 74.467 40.855 12.205 1.00 57.25 C
ATOM 1430 CG ARG A 180 73.046 40.275 11.749 1.00 61.98 C
ATOM 1431 CD ARG A 180 71.838 41.348 11.632 1.00 61.98 C
ATOM 1432 NE ARG A 180 70.524 40.810 12.113 1.00 69.89 N
ATOM 1433 CZ ARG A 180 70.129 40.724 13.421 1.00 78.04 C
ATOM 1434 NH1 ARG A 180 70.925 41.129 14.453 1.00 78.04 N
ATOM 1435 NH2 ARG A 180 68.924 40.219 13.734 1.00 77.95 N
ATOM 1436 C ARG A 180 76.657 39.842 13.006 1.00 54.29 C
ATOM 1437 O ARG A 180 77.042 38.761 12.540 1.00 54.79 O
ATOM 1438 N PHE A 181 77.488 40.812 13.324 1.00 51.94 N
ATOM 1439 CA PHE A 181 78.885 40.755 13.025 1.00 50.79 C
ATOM 1440 CB PHE A 181 79.440 42.180 13.075 1.00 50.04 C
ATOM 1441 CG PHE A 181 80.947 42.303 12.830 1.00 51.37 C
ATOM 1442 CD1 PHE A 181 81.869 42.104 13.875 1.00 47.30 C
ATOM 1443 CE1 PHE A 181 83.246 42.227 13.657 1.00 42.63 C
ATOM 1444 CZ PHE A 181 83.737 42.635 12.385 1.00 46.20 C
ATOM 1445 CE2 PHE A 181 82.834 42.871 11.325 1.00 45.42 C
ATOM 1446 CD2 PHE A 181 81.441 42.712 11.559 1.00 49.10 C
ATOM 1447 C PHE A 181 79.610 39.765 13.957 1.00 50.07 C
ATOM 1448 O PHE A 181 80.417 38.980 13.507 1.00 50.18 O
ATOM 1449 N ALA A 182 79.329 39.805 15.247 1.00 49.52 N
ATOM 1450 CA ALA A 182 79.836 38.791 16.170 1.00 50.06 C
ATOM 1451 CB ALA A 182 79.203 38.962 17.555 1.00 49.18 C
ATOM 1452 C ALA A 182 79.528 37.384 15.662 1.00 50.14 C
ATOM 1453 O ALA A 182 80.416 36.546 15.630 1.00 51.36 O
ATOM 1454 N ARG A 183 78.263 37.126 15.291 1.00 50.45 N
ATOM 1455 CA ARG A 183 77.869 35.792 14.829 1.00 51.85 C
ATOM 1456 CB ARG A 183 76.336 35.687 14.647 1.00 53.23 C
ATOM 1457 CG ARG A 183 75.489 35.248 15.911 1.00 55.95 C
ATOM 1458 CD ARG A 183 75.878 35.844 17.314 1.00 59.88 C
ATOM 1459 NE ARG A 183 74.958 35.476 18.431 1.00 60.85 N
ATOM 1460 CZ ARG A 183 73.632 35.748 18.484 1.00 67.16 C
ATOM 1461 NH1 ARG A 183 72.958 36.341 17.485 1.00 67.90 N
ATOM 1462 NH2 ARG A 183 72.930 35.385 19.550 1.00 67.77 N
ATOM 1463 C ARG A 183 78.611 35.445 13.559 1.00 51.52 C
ATOM 1464 O ARG A 183 79.028 34.260 13.396 1.00 53.02 O
ATOM 1465 N LYS A 184 78.779 36.426 12.657 1.00 49.97 N
ATOM 1466 CA LYS A 184 79.519 36.209 11.396 1.00 49.49 C
ATOM 1467 CB LYS A 184 79.625 37.494 10.552 1.00 50.30 C
ATOM 1468 CG LYS A 184 78.990 37.503 9.145 1.00 51.49 C
ATOM 1469 CD LYS A 184 79.268 36.245 8.285 1.00 52.68 C
ATOM 1470 CE LYS A 184 80.449 36.379 7.262 1.00 50.64 C
ATOM 1471 NZ LYS A 184 80.998 35.005 6.966 1.00 41.96 N
ATOM 1472 C LYS A 184 80.939 35.699 11.662 1.00 48.36 C
ATOM 1473 O LYS A 184 81.416 34.832 10.962 1.00 46.76 O
ATOM 1474 N HIS A 185 81.616 36.240 12.673 1.00 48.03 N
ATOM 1475 CA HIS A 185 83.030 35.929 12.830 1.00 47.82 C
ATOM 1476 CB HIS A 185 83.841 37.222 12.950 1.00 48.40 C
ATOM 1477 CG HIS A 185 83.715 38.124 11.758 1.00 50.23 C
ATOM 1478 ND1 HIS A 185 84.451 37.947 10.603 1.00 52.11 N
ATOM 1479 CE1 HIS A 185 84.115 38.867 9.716 1.00 52.22 C
ATOM 1480 NE2 HIS A 185 83.208 39.656 10.267 1.00 54.58 N
ATOM 1481 CD2 HIS A 185 82.928 39.200 11.535 1.00 52.40 C
ATOM 1482 C HIS A 185 83.268 35.019 14.019 1.00 48.10 C
ATOM 1483 O HIS A 185 84.413 34.852 14.460 1.00 47.83 O
ATOM 1484 N ASP A 186 82.188 34.405 14.521 1.00 48.43 N
ATOM 1485 CA ASP A 186 82.262 33.390 15.600 1.00 48.01 C
ATOM 1486 CB ASP A 186 83.003 32.141 15.160 1.00 47.20 C
ATOM 1487 CG ASP A 186 82.847 30.984 16.143 1.00 47.12 C
ATOM 1488 OD1 ASP A 186 82.049 31.113 17.074 1.00 49.54 O
ATOM 1489 OD2 ASP A 186 83.499 29.941 15.982 1.00 46.53 O
ATOM 1490 C ASP A 186 82.901 33.972 16.890 1.00 48.38 C
ATOM 1491 O ASP A 186 83.707 33.290 17.584 1.00 48.15 O
ATOM 1492 N LEU A 187 82.524 35.225 17.178 1.00 47.71 N
ATOM 1493 CA LEU A 187 82.974 35.982 18.334 1.00 47.80 C
ATOM 1494 CB LEU A 187 83.219 37.429 17.916 1.00 47.56 C
ATOM 1495 CG LEU A 187 84.267 37.670 16.863 1.00 50.82 C
ATOM 1496 CD1 LEU A 187 83.942 39.034 16.252 1.00 53.51 C
ATOM 1497 CD2 LEU A 187 85.657 37.659 17.508 1.00 53.17 C
ATOM 1498 C LEU A 187 81.892 36.036 19.406 1.00 46.95 C
ATOM 1499 O LEU A 187 80.700 36.213 19.099 1.00 45.70 O
ATOM 1500 N ALA A 188 82.295 35.981 20.670 1.00 46.28 N
ATOM 1501 CA ALA A 188 81.292 36.171 21.689 1.00 46.45 C
ATOM 1502 CB ALA A 188 81.672 35.552 23.008 1.00 46.55 C
ATOM 1503 C ALA A 188 81.070 37.664 21.807 1.00 46.52 C
ATOM 1504 O ALA A 188 82.001 38.481 21.602 1.00 45.46 O
ATOM 1505 N ILE A 189 79.817 38.023 22.084 1.00 47.29 N
ATOM 1506 CA ILE A 189 79.466 39.429 22.263 1.00 48.40 C
ATOM 1507 CB ILE A 189 78.015 39.606 22.665 1.00 47.94 C
ATOM 1508 CG1 ILE A 189 77.119 39.024 21.571 1.00 47.42 C
ATOM 1509 CD1 ILE A 189 77.027 39.871 20.325 1.00 44.15 C
ATOM 1510 CG2 ILE A 189 77.750 41.188 22.894 1.00 44.16 C
ATOM 1511 C ILE A 189 80.325 40.168 23.301 1.00 50.21 C
ATOM 1512 O ILE A 189 80.637 41.387 23.160 1.00 50.28 O
ATOM 1513 N SER A 190 80.663 39.432 24.361 1.00 51.57 N
ATOM 1514 CA SER A 190 81.568 39.923 25.392 1.00 53.24 C
ATOM 1515 CB SER A 190 81.703 38.919 26.548 1.00 52.87 C
ATOM 1516 OG SER A 190 82.011 37.616 26.117 1.00 51.46 O
ATOM 1517 C SER A 190 82.916 40.330 24.813 1.00 54.67 C
ATOM 1518 O SER A 190 83.479 41.271 25.269 1.00 56.22 O
ATOM 1519 N GLN A 191 83.392 39.685 23.759 1.00 56.06 N
ATOM 1520 CA GLN A 191 84.747 39.937 23.206 1.00 57.42 C
ATOM 1521 CB GLN A 191 85.349 38.662 22.571 1.00 56.98 C
ATOM 1522 CG GLN A 191 85.644 37.543 23.568 1.00 58.77 C
ATOM 1523 CD GLN A 191 86.344 38.066 24.835 1.00 61.27 C
ATOM 1524 OE1 GLN A 191 87.560 38.329 24.841 1.00 60.21 O
ATOM 1525 NE2 GLN A 191 85.561 38.238 25.911 1.00 61.55 N
ATOM 1526 C GLN A 191 84.796 41.009 22.157 1.00 57.84 C
ATOM 1527 O GLN A 191 85.847 41.216 21.551 1.00 58.42 O
ATOM 1528 N LEU A 192 83.656 41.626 21.887 1.00 58.82 N
ATOM 1529 CA LEU A 192 83.582 42.651 20.852 1.00 60.86 C
ATOM 1530 CB LEU A 192 82.137 43.077 20.535 1.00 60.44 C
ATOM 1531 CG LEU A 192 81.378 42.175 19.547 1.00 59.14 C
ATOM 1532 CD1 LEU A 192 79.950 42.658 19.470 1.00 56.46 C
ATOM 1533 CD2 LEU A 192 82.061 42.117 18.183 1.00 56.46 C
ATOM 1534 C LEU A 192 84.382 43.857 21.187 1.00 62.57 C
ATOM 1535 O LEU A 192 84.893 44.493 20.296 1.00 63.00 O
ATOM 1536 N PRO A 193 84.402 44.260 22.460 1.00 65.14 N
ATOM 1537 CA PRO A 193 85.321 45.356 22.817 1.00 67.32 C
ATOM 1538 CB PRO A 193 85.014 45.596 24.300 1.00 66.94 C
ATOM 1539 CG PRO A 193 83.528 45.117 24.468 1.00 65.56 C
ATOM 1540 CD PRO A 193 83.517 43.886 23.587 1.00 65.77 C
ATOM 1541 C PRO A 193 86.843 45.132 22.516 1.00 68.35 C
ATOM 1542 O PRO A 193 87.491 46.089 22.096 1.00 68.80 O
ATOM 1543 N ASN A 194 87.380 43.906 22.654 1.00 69.45 N
ATOM 1544 CA ASN A 194 88.816 43.646 22.417 1.00 70.30 C
ATOM 1545 CB ASN A 194 89.342 42.495 23.256 1.00 70.56 C
ATOM 1546 CG ASN A 194 88.630 42.344 24.549 1.00 71.51 C
ATOM 1547 OD1 ASN A 194 88.196 43.340 25.157 1.00 73.50 O
ATOM 1548 ND2 ASN A 194 88.495 41.082 25.007 1.00 70.11 N
ATOM 1549 C ASN A 194 89.148 43.291 20.985 1.00 72.25 C
ATOM 1550 O ASN A 194 90.292 42.946 20.672 1.00 72.48 O
ATOM 1551 N ILE A 195 88.133 43.312 20.136 1.00 74.19 N
ATOM 1552 CA ILE A 195 88.268 43.188 18.693 1.00 76.13 C
ATOM 1553 CB ILE A 195 87.020 43.831 18.045 1.00 76.54 C
ATOM 1554 CG1 ILE A 195 86.745 43.204 16.693 1.00 78.11 C
ATOM 1555 CD1 ILE A 195 85.332 43.452 16.247 1.00 81.83 C
ATOM 1556 CG2 ILE A 195 87.031 45.444 18.087 1.00 77.35 C
ATOM 1557 C ILE A 195 89.571 43.829 18.174 1.00 76.93 C
ATOM 1558 O ILE A 195 89.848 45.008 18.484 1.00 77.01 O
ATOM 1559 N ASP A 196 90.359 43.062 17.406 1.00 77.77 N
ATOM 1560 CA ASP A 196 91.743 43.451 17.080 1.00 78.93 C
ATOM 1561 CB ASP A 196 92.616 42.255 16.611 1.00 78.70 C
ATOM 1562 CG ASP A 196 92.400 41.844 15.137 1.00 79.81 C
ATOM 1563 OD1 ASP A 196 92.196 42.713 14.270 1.00 80.05 O
ATOM 1564 OD2 ASP A 196 92.513 40.627 14.823 1.00 79.19 O
ATOM 1565 C ASP A 196 91.806 44.716 16.200 1.00 79.72 C
ATOM 1566 O ASP A 196 90.796 45.444 16.075 1.00 80.25 O
ATOM 1567 N ALA A 197 92.976 45.005 15.624 1.00 80.23 N
ATOM 1568 CA ALA A 197 93.191 46.272 14.864 1.00 80.02 C
ATOM 1569 CB ALA A 197 94.650 46.336 14.309 1.00 80.04 C
ATOM 1570 C ALA A 197 92.128 46.586 13.763 1.00 79.73 C
ATOM 1571 O ALA A 197 91.265 47.438 13.978 1.00 79.20 O
ATOM 1572 N GLY A 198 92.184 45.861 12.631 1.00 79.59 N
ATOM 1573 CA GLY A 198 91.295 46.062 11.462 1.00 79.36 C
ATOM 1574 C GLY A 198 89.923 45.388 11.495 1.00 78.80 C
ATOM 1575 O GLY A 198 89.034 45.703 10.691 1.00 79.09 O
ATOM 1576 N ARG A 199 89.753 44.451 12.422 1.00 77.80 N
ATOM 1577 CA ARG A 199 88.476 43.814 12.674 1.00 76.33 C
ATOM 1578 CB ARG A 199 88.671 42.732 13.750 1.00 76.48 C
ATOM 1579 CG ARG A 199 87.607 41.621 13.817 1.00 76.39 C
ATOM 1580 CD ARG A 199 87.951 40.325 13.148 1.00 74.91 C
ATOM 1581 NE ARG A 199 87.474 40.299 11.762 1.00 75.95 N
ATOM 1582 CZ ARG A 199 87.815 39.364 10.861 1.00 76.33 C
ATOM 1583 NH1 ARG A 199 88.626 38.369 11.190 1.00 74.92 N
ATOM 1584 NH2 ARG A 199 87.354 39.416 9.615 1.00 75.27 N
ATOM 1585 C ARG A 199 87.553 44.954 13.109 1.00 75.52 C
ATOM 1586 O ARG A 199 86.432 45.098 12.600 1.00 75.34 O
ATOM 1587 N HIS A 200 88.075 45.790 14.008 1.00 74.37 N
ATOM 1588 CA HIS A 200 87.469 47.069 14.438 1.00 73.49 C
ATOM 1589 CB HIS A 200 88.482 47.786 15.338 1.00 74.34 C
ATOM 1590 CG HIS A 200 87.892 48.764 16.326 1.00 76.78 C
ATOM 1591 ND1 HIS A 200 88.071 50.133 16.218 1.00 77.92 N
ATOM 1592 CE1 HIS A 200 87.503 50.740 17.248 1.00 80.32 C
ATOM 1593 NE2 HIS A 200 86.970 49.813 18.033 1.00 81.56 N
ATOM 1594 CD2 HIS A 200 87.209 48.567 17.485 1.00 79.67 C
ATOM 1595 C HIS A 200 87.065 47.992 13.261 1.00 71.74 C
ATOM 1596 O HIS A 200 86.064 48.683 13.317 1.00 71.59 O
ATOM 1597 N VAL A 201 87.846 47.988 12.192 1.00 70.05 N
ATOM 1598 CA VAL A 201 87.580 48.815 11.014 1.00 67.82 C
ATOM 1599 CB VAL A 201 88.884 48.990 10.103 1.00 68.37 C
ATOM 1600 CG1 VAL A 201 88.550 49.436 8.665 1.00 67.14 C
ATOM 1601 CG2 VAL A 201 89.871 49.976 10.756 1.00 67.75 C
ATOM 1602 C VAL A 201 86.410 48.258 10.221 1.00 65.97 C
ATOM 1603 O VAL A 201 85.553 49.044 9.809 1.00 65.67 O
ATOM 1604 N GLU A 202 86.359 46.933 10.013 1.00 63.92 N
ATOM 1605 CA GLU A 202 85.202 46.335 9.299 1.00 62.19 C
ATOM 1606 CB GLU A 202 85.364 44.875 8.841 1.00 62.54 C
ATOM 1607 CG GLU A 202 86.590 44.081 9.307 1.00 63.92 C
ATOM 1608 CD GLU A 202 86.606 42.636 8.779 1.00 64.62 C
ATOM 1609 OE1 GLU A 202 85.527 41.949 8.731 1.00 65.18 O
ATOM 1610 OE2 GLU A 202 87.722 42.183 8.412 1.00 68.06 O
ATOM 1611 C GLU A 202 83.866 46.535 10.010 1.00 60.25 C
ATOM 1612 O GLU A 202 82.844 46.604 9.343 1.00 60.06 O
ATOM 1613 N LEU A 203 83.875 46.650 11.343 1.00 57.70 N
ATOM 1614 CA LEU A 203 82.646 46.794 12.131 1.00 55.16 C
ATOM 1615 CB LEU A 203 82.879 46.385 13.579 1.00 54.48 C
ATOM 1616 CG LEU A 203 81.702 46.449 14.567 1.00 54.61 C
ATOM 1617 CD1 LEU A 203 80.423 45.691 14.173 1.00 50.76 C
ATOM 1618 CD2 LEU A 203 82.180 46.032 15.921 1.00 55.04 C
ATOM 1619 C LEU A 203 82.131 48.203 12.093 1.00 54.46 C
ATOM 1620 O LEU A 203 80.940 48.417 11.966 1.00 55.97 O
ATOM 1621 N ILE A 204 83.025 49.176 12.245 1.00 53.18 N
ATOM 1622 CA ILE A 204 82.673 50.587 12.009 1.00 51.53 C
ATOM 1623 CB ILE A 204 83.884 51.549 12.263 1.00 50.73 C
ATOM 1624 CG1 ILE A 204 84.251 51.534 13.752 1.00 47.57 C
ATOM 1625 CD1 ILE A 204 85.539 52.328 14.100 1.00 49.35 C
ATOM 1626 CG2 ILE A 204 83.556 52.963 11.824 1.00 50.33 C
ATOM 1627 C ILE A 204 82.070 50.735 10.598 1.00 51.60 C
ATOM 1628 O ILE A 204 80.999 51.292 10.433 1.00 52.21 O
ATOM 1629 N GLU A 205 82.748 50.214 9.597 1.00 50.99 N
ATOM 1630 CA GLU A 205 82.220 50.216 8.238 1.00 51.42 C
ATOM 1631 CB GLU A 205 83.180 49.447 7.333 1.00 51.77 C
ATOM 1632 CG GLU A 205 84.475 50.169 7.141 1.00 54.72 C
ATOM 1633 CD GLU A 205 85.093 49.936 5.766 1.00 56.22 C
ATOM 1634 OE1 GLU A 205 85.136 48.790 5.272 1.00 54.31 O
ATOM 1635 OE2 GLU A 205 85.533 50.954 5.196 1.00 60.24 O
ATOM 1636 C GLU A 205 80.836 49.582 8.087 1.00 50.83 C
ATOM 1637 O GLU A 205 79.953 50.142 7.457 1.00 51.24 O
ATOM 1638 N ALA A 206 80.664 48.383 8.623 1.00 49.52 N
ATOM 1639 CA ALA A 206 79.380 47.731 8.606 1.00 48.49 C
ATOM 1640 CB ALA A 206 79.508 46.355 9.211 1.00 48.49 C
ATOM 1641 C ALA A 206 78.290 48.544 9.335 1.00 49.05 C
ATOM 1642 O ALA A 206 77.249 48.734 8.761 1.00 49.76 O
ATOM 1643 N ILE A 207 78.506 49.007 10.573 1.00 49.12 N
ATOM 1644 CA ILE A 207 77.490 49.852 11.254 1.00 50.60 C
ATOM 1645 CB ILE A 207 77.889 50.257 12.682 1.00 50.07 C
ATOM 1646 CG1 ILE A 207 78.154 49.005 13.546 1.00 51.94 C
ATOM 1647 CD1 ILE A 207 78.691 49.269 15.015 1.00 50.69 C
ATOM 1648 CG2 ILE A 207 76.842 51.160 13.309 1.00 51.14 C
ATOM 1649 C ILE A 207 77.165 51.109 10.427 1.00 50.52 C
ATOM 1650 O ILE A 207 75.990 51.457 10.233 1.00 52.17 O
ATOM 1651 N ALA A 208 78.179 51.792 9.931 1.00 50.36 N
ATOM 1652 CA ALA A 208 77.951 52.980 9.091 1.00 51.05 C
ATOM 1653 CB ALA A 208 79.254 53.502 8.622 1.00 50.43 C
ATOM 1654 C ALA A 208 77.040 52.660 7.885 1.00 52.08 C
ATOM 1655 O ALA A 208 76.204 53.472 7.493 1.00 51.78 O
ATOM 1656 N ASN A 209 77.241 51.476 7.276 1.00 53.65 N
ATOM 1657 CA ASN A 209 76.402 51.010 6.173 1.00 54.22 C
ATOM 1658 CB ASN A 209 77.060 49.866 5.411 1.00 55.12 C
ATOM 1659 CG ASN A 209 77.907 50.395 4.258 1.00 59.02 C
ATOM 1660 OD1 ASN A 209 77.554 50.190 3.111 1.00 63.81 O
ATOM 1661 ND2 ASN A 209 78.947 51.215 4.562 1.00 61.07 N
ATOM 1662 C ASN A 209 74.974 50.709 6.630 1.00 54.75 C
ATOM 1663 O ASN A 209 74.016 51.063 5.929 1.00 55.67 O
ATOM 1664 N GLU A 210 74.819 50.141 7.836 1.00 53.34 N
ATOM 1665 CA GLU A 210 73.492 49.950 8.402 1.00 52.18 C
ATOM 1666 CB GLU A 210 73.546 49.051 9.648 1.00 53.15 C
ATOM 1667 CG GLU A 210 72.228 49.027 10.451 1.00 53.03 C
ATOM 1668 CD GLU A 210 72.154 47.894 11.422 1.00 55.31 C
ATOM 1669 OE1 GLU A 210 72.616 48.060 12.559 1.00 55.00 O
ATOM 1670 OE2 GLU A 210 71.643 46.812 11.069 1.00 63.04 O
ATOM 1671 C GLU A 210 72.831 51.307 8.695 1.00 51.64 C
ATOM 1672 O GLU A 210 71.610 51.460 8.555 1.00 52.00 O
ATOM 1673 N TYR A 211 73.609 52.310 9.095 1.00 50.87 N
ATOM 1674 CA TYR A 211 73.042 53.680 9.271 1.00 49.38 C
ATOM 1675 CB TYR A 211 74.088 54.627 9.855 1.00 49.20 C
ATOM 1676 CG TYR A 211 74.324 54.406 11.358 1.00 47.60 C
ATOM 1677 CD1 TYR A 211 73.676 53.394 12.044 1.00 45.28 C
ATOM 1678 CE1 TYR A 211 73.899 53.124 13.409 1.00 49.87 C
ATOM 1679 CZ TYR A 211 74.799 53.929 14.087 1.00 51.71 C
ATOM 1680 OH TYR A 211 75.049 53.715 15.461 1.00 53.18 O
ATOM 1681 CE2 TYR A 211 75.470 54.937 13.396 1.00 49.89 C
ATOM 1682 CD2 TYR A 211 75.232 55.159 12.042 1.00 46.69 C
ATOM 1683 C TYR A 211 72.523 54.228 7.962 1.00 49.19 C
ATOM 1684 O TYR A 211 71.473 54.857 7.895 1.00 49.22 O
ATOM 1685 N LEU A 212 73.260 53.953 6.900 1.00 49.67 N
ATOM 1686 CA LEU A 212 72.834 54.309 5.538 1.00 49.05 C
ATOM 1687 CB LEU A 212 73.907 54.016 4.522 1.00 48.57 C
ATOM 1688 CG LEU A 212 73.540 54.565 3.117 1.00 50.20 C
ATOM 1689 CD1 LEU A 212 73.356 56.108 3.080 1.00 50.77 C
ATOM 1690 CD2 LEU A 212 74.532 54.146 2.036 1.00 48.84 C
ATOM 1691 C LEU A 212 71.497 53.715 5.126 1.00 49.72 C
ATOM 1692 O LEU A 212 70.650 54.507 4.725 1.00 48.29 O
ATOM 1693 N GLU A 213 71.305 52.374 5.248 1.00 51.48 N
ATOM 1694 CA GLU A 213 69.992 51.694 5.045 1.00 52.19 C
ATOM 1695 CB GLU A 213 69.989 50.113 5.344 1.00 54.96 C
ATOM 1696 CG GLU A 213 68.650 49.310 6.278 1.00 57.22 C
ATOM 1697 CD GLU A 213 68.381 49.644 7.861 1.00 65.39 C
ATOM 1698 OE1 GLU A 213 69.288 49.595 8.721 1.00 68.99 O
ATOM 1699 OE2 GLU A 213 67.235 49.955 8.318 1.00 63.79 O
ATOM 1700 C GLU A 213 68.976 52.435 5.866 1.00 51.39 C
ATOM 1701 O GLU A 213 67.911 52.771 5.382 1.00 51.10 O
ATOM 1702 N HIS A 214 69.293 52.701 7.129 1.00 51.52 N
ATOM 1703 CA HIS A 214 68.346 53.387 7.954 1.00 50.78 C
ATOM 1704 CB HIS A 214 68.849 53.535 9.374 1.00 51.93 C
ATOM 1705 CG HIS A 214 67.800 54.050 10.307 1.00 50.54 C
ATOM 1706 ND1 HIS A 214 66.651 53.329 10.598 1.00 44.65 N
ATOM 1707 CE1 HIS A 214 65.902 54.037 11.434 1.00 47.48 C
ATOM 1708 NE2 HIS A 214 66.498 55.202 11.649 1.00 47.16 N
ATOM 1709 CD2 HIS A 214 67.674 55.249 10.931 1.00 45.35 C
ATOM 1710 C HIS A 214 67.968 54.789 7.461 1.00 50.69 C
ATOM 1711 O HIS A 214 66.782 55.120 7.413 1.00 51.26 O
ATOM 1712 N ALA A 215 68.949 55.623 7.156 1.00 50.06 N
ATOM 1713 CA ALA A 215 68.673 56.980 6.667 1.00 49.07 C
ATOM 1714 CB ALA A 215 69.978 57.696 6.484 1.00 48.13 C
ATOM 1715 C ALA A 215 67.881 56.965 5.311 1.00 50.29 C
ATOM 1716 O ALA A 215 67.064 57.892 5.003 1.00 50.38 O
ATOM 1717 N LEU A 216 68.132 55.939 4.477 1.00 48.97 N
ATOM 1718 CA LEU A 216 67.418 55.845 3.212 1.00 48.51 C
ATOM 1719 CB LEU A 216 67.982 54.802 2.234 1.00 47.69 C
ATOM 1720 CG LEU A 216 69.375 55.050 1.643 1.00 48.26 C
ATOM 1721 CD1 LEU A 216 69.967 53.734 1.084 1.00 47.75 C
ATOM 1722 CD2 LEU A 216 69.440 56.192 0.568 1.00 48.25 C
ATOM 1723 C LEU A 216 66.008 55.502 3.492 1.00 48.40 C
ATOM 1724 O LEU A 216 65.139 55.824 2.681 1.00 49.17 O
ATOM 1725 N SER A 217 65.752 54.803 4.599 1.00 48.20 N
ATOM 1726 CA SER A 217 64.394 54.381 4.768 1.00 48.05 C
ATOM 1727 CB SER A 217 64.296 52.969 5.318 1.00 47.12 C
ATOM 1728 OG SER A 217 64.426 53.053 6.659 1.00 51.35 O
ATOM 1729 C SER A 217 63.679 55.450 5.587 1.00 48.60 C
ATOM 1730 O SER A 217 62.459 55.508 5.619 1.00 48.72 O
ATOM 1731 N GLN A 218 64.450 56.310 6.230 1.00 49.22 N
ATOM 1732 CA GLN A 218 63.891 57.500 6.861 1.00 49.95 C
ATOM 1733 CB GLN A 218 64.913 58.148 7.779 1.00 49.55 C
ATOM 1734 CG GLN A 218 65.207 57.385 9.018 1.00 50.23 C
ATOM 1735 CD GLN A 218 66.274 58.072 9.900 1.00 50.86 C
ATOM 1736 OE1 GLN A 218 67.457 58.138 9.510 1.00 49.66 O
ATOM 1737 NE2 GLN A 218 65.856 58.562 11.122 1.00 50.88 N
ATOM 1738 C GLN A 218 63.437 58.482 5.765 1.00 50.68 C
ATOM 1739 O GLN A 218 62.353 59.057 5.880 1.00 50.31 O
ATOM 1740 N GLU A 219 64.240 58.654 4.706 1.00 51.03 N
ATOM 1741 CA GLU A 219 63.818 59.519 3.563 1.00 53.52 C
ATOM 1742 CB GLU A 219 64.923 59.695 2.485 1.00 53.17 C
ATOM 1743 CG GLU A 219 66.160 60.486 2.975 1.00 57.35 C
ATOM 1744 CD GLU A 219 65.865 61.971 3.140 1.00 60.20 C
ATOM 1745 OE1 GLU A 219 66.793 62.816 2.867 1.00 60.71 O
ATOM 1746 OE2 GLU A 219 64.679 62.278 3.517 1.00 63.27 O
ATOM 1747 C GLU A 219 62.537 59.017 2.883 1.00 53.79 C
ATOM 1748 O GLU A 219 61.676 59.813 2.493 1.00 53.80 O
ATOM 1749 N ARG A 220 62.435 57.692 2.783 1.00 53.38 N
ATOM 1750 CA ARG A 220 61.265 56.989 2.283 1.00 53.78 C
ATOM 1751 CB ARG A 220 61.624 55.497 2.050 1.00 53.42 C
ATOM 1752 CG ARG A 220 60.481 54.494 1.941 1.00 55.77 C
ATOM 1753 CD ARG A 220 60.995 53.126 1.403 1.00 56.85 C
ATOM 1754 NE ARG A 220 61.908 52.341 2.302 1.00 61.44 N
ATOM 1755 CZ ARG A 220 63.245 52.223 2.150 1.00 59.10 C
ATOM 1756 NH1 ARG A 220 63.881 52.885 1.201 1.00 59.75 N
ATOM 1757 NH2 ARG A 220 63.974 51.475 2.962 1.00 55.75 N
ATOM 1758 C ARG A 220 60.002 57.204 3.134 1.00 53.03 C
ATOM 1759 O ARG A 220 58.968 57.571 2.580 1.00 52.02 O
ATOM 1760 N ASP A 221 60.089 57.010 4.456 1.00 52.88 N
ATOM 1761 CA ASP A 221 58.902 56.936 5.334 1.00 53.78 C
ATOM 1762 CB ASP A 221 58.950 55.707 6.283 1.00 54.81 C
ATOM 1763 CG ASP A 221 59.056 54.329 5.518 1.00 58.39 C
ATOM 1764 OD1 ASP A 221 58.430 54.137 4.455 1.00 59.82 O
ATOM 1765 OD2 ASP A 221 59.772 53.426 6.014 1.00 62.47 O
ATOM 1766 C ASP A 221 58.548 58.196 6.145 1.00 53.67 C
ATOM 1767 O ASP A 221 57.416 58.291 6.614 1.00 53.59 O
ATOM 1768 N PHE A 222 59.470 59.158 6.293 1.00 53.62 N
ATOM 1769 CA PHE A 222 59.154 60.490 6.910 1.00 54.20 C
ATOM 1770 CB PHE A 222 60.302 61.510 6.728 1.00 55.34 C
ATOM 1771 CG PHE A 222 61.397 61.419 7.790 1.00 55.20 C
ATOM 1772 CD1 PHE A 222 62.682 61.950 7.526 1.00 56.25 C
ATOM 1773 CE1 PHE A 222 63.694 61.867 8.528 1.00 58.13 C
ATOM 1774 CZ PHE A 222 63.415 61.254 9.806 1.00 54.49 C
ATOM 1775 CE2 PHE A 222 62.150 60.722 10.052 1.00 52.09 C
ATOM 1776 CD2 PHE A 222 61.154 60.805 9.048 1.00 56.08 C
ATOM 1777 C PHE A 222 57.841 61.126 6.409 1.00 53.74 C
ATOM 1778 O PHE A 222 57.445 60.861 5.275 1.00 52.58 O
ATOM 1779 N PRO A 223 57.142 61.927 7.264 1.00 53.20 N
ATOM 1780 CA PRO A 223 56.000 62.662 6.720 1.00 53.68 C
ATOM 1781 CB PRO A 223 55.320 63.238 7.978 1.00 52.72 C
ATOM 1782 CG PRO A 223 56.468 63.473 8.912 1.00 52.86 C
ATOM 1783 CD PRO A 223 57.331 62.229 8.693 1.00 53.11 C
ATOM 1784 C PRO A 223 56.563 63.795 5.879 1.00 54.18 C
ATOM 1785 O PRO A 223 57.718 64.201 6.093 1.00 54.70 O
ATOM 1786 N GLN A 224 55.808 64.305 4.921 1.00 55.05 N
ATOM 1787 CA GLN A 224 56.246 65.572 4.389 1.00 56.16 C
ATOM 1788 CB GLN A 224 55.820 65.735 2.957 1.00 54.53 C
ATOM 1789 CG GLN A 224 56.222 64.573 2.066 1.00 56.07 C
ATOM 1790 CD GLN A 224 55.988 64.854 0.542 1.00 55.81 C
ATOM 1791 OE1 GLN A 224 56.111 65.994 0.088 1.00 56.01 O
ATOM 1792 NE2 GLN A 224 55.678 63.808 -0.230 1.00 54.79 N
ATOM 1793 C GLN A 224 55.564 66.590 5.312 1.00 57.34 C
ATOM 1794 O GLN A 224 54.328 66.657 5.335 1.00 58.29 O
ATOM 1795 N TRP A 225 56.327 67.364 6.083 1.00 58.22 N
ATOM 1796 CA TRP A 225 55.681 68.329 7.006 1.00 59.99 C
ATOM 1797 CB TRP A 225 56.605 68.694 8.180 1.00 60.01 C
ATOM 1798 CG TRP A 225 55.856 69.273 9.333 1.00 59.99 C
ATOM 1799 CD1 TRP A 225 55.608 70.602 9.601 1.00 59.33 C
ATOM 1800 NE1 TRP A 225 54.885 70.721 10.765 1.00 59.48 N
ATOM 1801 CE2 TRP A 225 54.643 69.464 11.263 1.00 59.12 C
ATOM 1802 CD2 TRP A 225 55.246 68.529 10.384 1.00 60.50 C
ATOM 1803 CE3 TRP A 225 55.149 67.154 10.671 1.00 60.18 C
ATOM 1804 CZ3 TRP A 225 54.446 66.755 11.807 1.00 59.67 C
ATOM 1805 CH2 TRP A 225 53.840 67.712 12.647 1.00 60.34 C
ATOM 1806 CZ2 TRP A 225 53.924 69.067 12.385 1.00 60.60 C
ATOM 1807 C TRP A 225 55.221 69.623 6.299 1.00 60.62 C
ATOM 1808 O TRP A 225 56.011 70.207 5.531 1.00 61.56 O
ATOM 1809 N PRO A 226 53.954 70.082 6.554 1.00 61.18 N
ATOM 1810 CA PRO A 226 53.285 71.308 5.988 1.00 60.99 C
ATOM 1811 CB PRO A 226 52.485 71.821 7.176 1.00 60.80 C
ATOM 1812 CG PRO A 226 52.026 70.491 7.855 1.00 61.95 C
ATOM 1813 CD PRO A 226 53.016 69.367 7.448 1.00 61.14 C
ATOM 1814 C PRO A 226 54.123 72.451 5.355 1.00 61.07 C
ATOM 1815 O PRO A 226 55.331 72.606 5.595 1.00 61.12 O
HETATM 1816 ZN ZN 301 70.627 63.420 17.676 1.00 70.06 ZN
HETATM 1817 ZN ZN 302 66.696 51.027 10.720 1.00 66.38 ZN
HETATM 1818 O1A DST 400 69.225 61.055 14.595 1.00 62.30 O
HETATM 1819 PA DST 400 70.545 61.041 15.365 1.00 59.22 P
HETATM 1820 O2A DST 400 70.502 61.040 16.902 1.00 53.74 O
HETATM 1821 O3A DST 400 71.658 62.066 14.830 1.00 61.64 O
HETATM 1822 PB DST 400 71.729 63.634 14.435 1.00 56.67 P
HETATM 1823 O1B DST 400 73.201 63.681 14.430 1.00 61.01 O
HETATM 1824 O2B DST 400 70.971 63.791 13.162 1.00 55.67 O
HETATM 1825 O3B DST 400 71.219 64.432 15.595 1.00 71.63 O
HETATM 1826 S1 DST 400 71.467 59.242 15.371 1.00 67.78 S
HETATM 1827 C1 DST 400 70.497 57.998 16.151 1.00 60.96 C
HETATM 1828 C2 DST 400 69.920 56.979 15.162 1.00 58.48 C
HETATM 1829 C3 DST 400 70.674 55.971 14.728 1.00 62.21 C
HETATM 1830 C4 DST 400 70.097 54.945 13.759 1.00 61.13 C
HETATM 1831 C5 DST 400 72.081 55.822 15.244 1.00 62.54 C
HETATM 1832 O3P AMP 401 61.386 55.292 16.074 1.00 54.11 O
HETATM 1833 P AMP 401 61.431 54.815 14.657 1.00 53.67 P
HETATM 1834 O1P AMP 401 62.486 55.341 13.725 1.00 56.04 O
HETATM 1835 O2P AMP 401 60.064 55.003 14.062 1.00 56.36 O
HETATM 1836 O5* AMP 401 61.546 53.237 14.479 1.00 58.12 O
HETATM 1837 C5* AMP 401 62.505 52.560 15.188 1.00 59.51 C
HETATM 1838 C4* AMP 401 63.360 51.629 14.359 1.00 51.97 C
HETATM 1839 C3* AMP 401 63.995 51.137 15.662 1.00 53.11 C
HETATM 1840 O3* AMP 401 63.429 49.886 15.850 1.00 48.56 O
HETATM 1841 C2* AMP 401 65.490 51.049 15.557 1.00 50.99 C
HETATM 1842 O2* AMP 401 65.694 49.757 14.916 1.00 48.62 O
HETATM 1843 C1* AMP 401 65.670 52.166 14.598 1.00 48.46 C
HETATM 1844 O4* AMP 401 64.452 52.381 13.830 1.00 52.40 O
HETATM 1845 N9 AMP 401 65.987 53.379 15.412 1.00 53.48 N
HETATM 1846 C4 AMP 401 67.148 53.583 16.071 1.00 53.08 C
HETATM 1847 C5 AMP 401 67.024 54.927 16.684 1.00 50.68 C
HETATM 1848 N7 AMP 401 65.794 55.415 16.370 1.00 49.50 N
HETATM 1849 C8 AMP 401 65.215 54.470 15.593 1.00 52.69 C
HETATM 1850 N3 AMP 401 68.286 52.804 16.261 1.00 51.22 N
HETATM 1851 C2 AMP 401 69.312 53.283 17.025 1.00 48.78 C
HETATM 1852 N1 AMP 401 69.201 54.503 17.599 1.00 51.91 N
HETATM 1853 C6 AMP 401 68.163 55.364 17.509 1.00 49.99 C
HETATM 1854 N6 AMP 401 68.234 56.559 18.150 1.00 48.98 N
HETATM 1855 O HOH 1 64.694 56.599 13.071 1.00 45.73 O
HETATM 1856 O HOH 2 69.589 68.148 29.899 1.00 38.76 O
HETATM 1857 O HOH 3 62.467 72.168 31.561 1.00 54.07 O
HETATM 1858 O HOH 4 76.694 70.340 29.859 1.00 59.07 O
HETATM 1859 O HOH 5 78.393 59.857 20.317 1.00 54.51 O
HETATM 1860 O HOH 6 61.724 61.085 30.868 1.00 45.87 O
HETATM 1861 O HOH 7 61.306 77.899 26.966 1.00 49.32 O
HETATM 1862 O HOH 8 69.640 70.699 24.444 1.00 46.39 O
HETATM 1863 O HOH 9 49.152 67.153 12.902 1.00 57.54 O
HETATM 1864 O HOH 10 62.655 61.106 23.739 1.00 33.51 O
HETATM 1865 O HOH 11 69.643 68.721 22.489 1.00 38.48 O
HETATM 1866 O HOH 12 63.440 56.190 17.602 1.00 44.58 O
HETATM 1867 O HOH 13 60.360 67.238 31.475 1.00 32.72 O
HETATM 1868 O HOH 14 67.801 59.291 13.484 1.00 43.63 O
HETATM 1869 O HOH 15 72.308 60.458 28.882 1.00 38.18 O
HETATM 1870 O HOH 16 66.309 59.109 30.726 1.00 49.86 O
HETATM 1871 O HOH 17 67.920 74.633 27.129 1.00 45.70 O
HETATM 1872 O HOH 18 64.156 64.111 30.325 1.00 32.12 O
HETATM 1873 O HOH 19 64.241 61.652 31.072 1.00 32.01 O
HETATM 1874 O HOH 20 66.852 61.158 16.775 1.00 39.02 O
HETATM 1875 O HOH 21 74.693 54.073 28.992 1.00 46.37 O
HETATM 1876 O HOH 22 69.544 65.187 28.923 1.00 45.01 O
HETATM 1877 O HOH 23 56.121 62.777 29.325 1.00 52.16 O
HETATM 1878 O HOH 24 49.141 63.694 26.456 1.00 46.33 O
HETATM 1879 O HOH 25 62.407 53.526 24.533 1.00 39.01 O
HETATM 1880 O HOH 26 64.579 49.515 11.426 1.00 51.50 O
HETATM 1881 O HOH 27 73.546 52.409 17.201 1.00 39.72 O
HETATM 1882 O HOH 28 71.057 63.957 26.764 1.00 43.06 O
HETATM 1883 O HOH 29 68.451 63.091 31.033 1.00 43.73 O
HETATM 1884 O HOH 30 61.552 65.050 31.617 1.00 34.64 O
HETATM 1885 O HOH 31 59.837 63.291 30.148 1.00 35.93 O
HETATM 1886 O HOH 32 67.643 51.686 29.315 1.00 41.90 O
HETATM 1887 O HOH 33 81.989 56.834 24.774 1.00 58.48 O
なお、上記原子座標は、プロテインデータバンク(Protein Data Bank, http://www.rcsb.org/pdb/、アメリカ)所定の書式に従って結晶内における単位格子の原点を3次元空間における原点として表記している。第1列のATOMはタンパク質を構成する原子であることを示し、第2列は構造中の原子数を列挙する。第3列はタンパク質を構成する原子の種類を示す。例えば、Cα炭素原子はCA、アミド窒素原子はN、カルボニル炭素原子はC、カルボニル酸素原子はOと表記される。第4列はアミノ酸の種類を3文字表記法で示す。第5列は分子の種類を示す。第6列はアミノ酸配列における位置番号を示す。第7〜9列は順に3次元原子座標X、Y、Zを示す。第10列は占有率と呼ばれる項で通常は1である。第11列は温度因子であり、第12列は原子の種類を示す。本発明に関する原子座標をコンピュータによる計算に用いる場合などにおいて、各原子の相対的な配置を変化させずに、3次元空間内で並進、回転、対称などの数学的な移動操作を施した結果として得られる新たな原子座標も本発明の範囲である。
[サイトカイニン生合成酵素の立体構造モデルを表示するコンピュータシステム]
本発明によるサイトカイニン生合成酵素tzsの結晶から得られる原子座標を、分子の3次元構造を表現するコンピュータ・プログラムが動作するコンピュータ又はそのコンピュータの記憶媒体に入力することで、サイトカイニン生合成酵素の3次元的な構造を詳細に表現することが可能になる。
コンピュータの記憶媒体としては、サイトカイニン生合成酵素の原子座標をコンピュータの該プログラム上に導くことができるものであれば特に限定されるものではない。例えば、メモリと呼ばれる電気的な一時記憶媒体でも、フレキシブルディスク、ハードディスク、光ディスク、光磁気ディスク、磁気テープ等の半永久的な記憶媒体でも良い。
上記メモリ又は記憶媒体と電気的に連絡するプロセッサによってサイトカイニン生合成酵素の少なくとも一部を表す三次元立体構造モデルが生成される。このようなプロセッサ(プログラム)としては、QUANTA(Molecular Simulations社)、SYBYL(Molecular Modeling Software社)、等が利用できる。この際に用いられるコンピュータは、例えば、シリコングラフィックス社によって供給されているワークステーションOCTANE等が好適であるが、これに限定されるものではなく、適当なプログラムが動作するように調整されているコンピュータであればよい。
図1(a)は、このようにして2.3Åの分解能で得られたサイトカイニン生合成酵素tzsの立体構造をリボンモデルで示したものである。図1に示したように、サイトカイニン生合成酵素tzsの立体構造は、253個のアミノ酸配列のうち228番目以降は構造が揺らいで見えなかった。この酵素は2つのドメイン、すなわち、N末端側のヌクレオシド三リン酸ヒドロラーゼと相同性を有するドメインと、C末端側のtRNA−グアニントランスグリコシダーゼと一部相同性を有するドメインから構成されることが分かった。N末端側のドメインは、5つのβシート構造と3つのα−ヘリックス構造を含み、ヌクレオチド結合モチーフとして知られているp−ループ構造を有する。C末端側のドメインは、5つのα−ヘリックス構造を含み、最もC末端側のヘリックス(α8)はN末端ドメインまで伸長していることが分かった。これら2つのドメインの間には図2に示したような小さな溝(チャネル)が存在することが分かった。なお、tzsタンパク質のみの結晶から得られた電子密度図の中に、上記チャネルの近傍でtzsタンパク質と強固に結合している物質の存在が認められた。その立体構造、及びtzsタンパク質との複合体を質量分析により解析した結果からこれがAMPであることが分かった。
図2は、このチャネルを中心としたtzsタンパク質の全体の構造を180度回転させてそれぞれ表示したものである。チャネルの一方の入口には基質であるAMPが結合して存在し、他方の入口にはp−ループが存在する。この立体構造のチャネルの空洞に沿った断面図を表示したものが図3である。ここでは、基質DMAPPの類似物ジメチルアリル−S−チオロ−二リン酸(dimethylallyl S-thiolo diphosphate:DMASPP)と亜鉛イオンとの複合体の構造を表示している。DMASPPは、ジメチルアリル基とピロリン酸をつなぐ酸素原子を硫黄原子へ置換したものであり、天然型の結晶中に浸漬させたものについて、回折強度データを収集し、構造解析をすることによって、複合体の構造が得られた。さらに、図4はAMPとtzsタンパク質との結合様式を示している。AMPは主にN末端側のドメインと相互作用を形成している。種々のイソペンテニルトランスフェラーゼ(IPT)において完全に保存されているAsp33、Ser99、Ser101と、塩基性残基として保存されているArg34においては、側鎖と相互作用を形成している。Asp33は、転移反応が起こるアデニンのN位と相互作用している。ホップ(Humulus lupulus L.)由来IPTでは、これに相当する残基(Asp62)に変異を導入することによって完全に酵素活性が失われるとの報告(Sakano, Y. et al., (2004) Phytochemistry, 65, 2439-2446)からも、この残基が触媒反応に直接関与すると予想される。一方、C末端側ドメインとの相互作用は、唯一Asp171の主鎖のカルボニル酸素との水素結合のみである。また、ヌクレオチド結合モチーフp−ループとの相互作用は見られなかった。
図5は、tzsタンパク質と亜鉛イオン及びDMASPPとの結合様式である。亜鉛イオンの配位子として、DMASPPの2つの酸素原子とp−loopのコンセンサス配列であるThr15のヒドロキシル基が挙げられる。また、同じp−loop上のThr10、及びLys14も、DMASPPとの相互作用を形成しており、金属イオンと協同して二リン酸エステル(diphosphate)を固定している。さらに完全に保存されているArg138も、二リン酸エステル(diphosphate)との相互作用を形成することが分かった。また一方、ジメチルアリル基は、AMPのアデニン環とほとんど平行に位置している。酵素反応によって結合を形成するAMPのN位の窒素原子と、ジメチルアリル基の炭素原子の間の距離は、3.3Åである。この複合体構造は、酵素反応の遷移状態に極めて近い構造を持つことが予想され、この原子座標を用いることによって、in silicoでの阻害剤の設計が可能である。
[サイトカイニン生合成酵素の立体構造モデルを用いた阻害剤のスクリーニング]
本発明が提供するサイトカイニン生合成酵素の原子座標のすべて又は一部を、分子の立体構造を表現するコンピュータ・プログラムが動作するコンピュータ又はその記憶媒体に入力することで、サイトカイニン生合成酵素と結合し、iPAMP合成活性を調節する化合物を同定、検索、評価又は設計することが可能となる。化合物は、天然物化合物、合成化合物の何れでもよく、高分子化合物、低分子化合物の何れでもよい。
このような方法は、まず候補化合物とサイトカイニン生合成酵素とをコンピュータモデルにより表示し、視覚的観察によりサイトカイニン生合成酵素の特定の部位に良く適合する形状又は化学構造をもつ結合化合物(リード化合物)を見つけ出す段階が含まれる。分子モデルを作成、表示するためには、前記QUANTAやSYBYL等のプログラムが利用できる。更に、サイトカイニン生合成酵素の特定の部位との親和性、反発力、及び立体的障害等を推定するための種々のコンピュータプログラムが使用できる。これらのプログラムの例としては、例えば、生体高分子についてエネルギー的に好適な結合部位を決定するためのGRID(Goodford, P. J., (1985) J. Med. Chem., 28, p.849-857)、機能的結合部位を探索するためのMCSS(Miranker, A., et al., (1991) Proteins: Structure, Function and Genetics, 11, p.29-34)、あるいは高分子とリガンドとの相互作用を幾何学的に解析し、自動的にドッキングさせるAUTODOCK(Goodsell, D. S., et al., (1990) PROTEINS: Structure, Function and Genetics,8, 195-202)、及びDOCK(Kuntz, I.D., et al., (1982) J. Mol. Biol. 161, 269-288)等が挙げられる。このようなプログラムを用いた計算により、サイトカイニン生合成酵素表面の特定の領域であって、例えばAMPやDMAPPとエネルギー的に安定に結合し得る領域を推定し、この領域と立体的に相補的な結合化合物を示唆することができる。
1つの実施形態において、上記結合化合物はサイトカイニン生合成酵素のAMP結合部位へ結合する。また、この結合様式は、前記結合化合物と、配列番号2に示したアミノ酸配列のAsp33、Arg34、Val35、Ser45、Ser99、Ile100、Ser101、及びAsp171からなる群より選択される少なくとも1つのアミノ酸残基の主鎖及び/又は側鎖との立体的な相互作用により形成される。
他の1つの実施形態において、上記結合化合物はサイトカイニン生合成酵素のDMAPP結合部位へ結合する。この結合様式は、前記結合化合物と、配列番号2に示したアミノ酸配列のThr10、Lys14、Thr15及びArg138の少なくとも1つのアミノ酸残基の側鎖、又はそれらと5Å以内の距離にあるアミノ酸残基との立体的な相互作用により形成される。
これらの結合化合物(リード化合物)が見つけ出されると、続いて、サイトカイニン生合成酵素の立体構造を表示したコンピュータ画面上で結合化合物との立体的な相互作用を視覚的に検討し、更に最適化することができる。前述したQUANTAやSYBYL等のプログラムを用いて結合化合物を最適化するためのモデルを構築することができる。これらの他に、分子モデリングの最適化のために有用な種々のプログラムが利用でき、例えば、CAVEAT(Lauri,G., and Bartlett,P.A., J.(1994) Comput. Aided Mol. Des. 8, 51-66)やHOOK(Eisen, M.B., et al.(1994) Proteins:Struct., Funct., Genet., 19, 199-221)等が挙げられる。
更に、上記のプログラムの他にサイトカイニン生合成酵素の立体構造から直接(de novo)、自動的に候補化合物を構築し、その構造を出力することも可能である。これらのためには、LUDI(Bohm,H.J., (1992) J. Comp. Aid. Molec. Design.)やLEGEND(Nishibata,Y., et al., (1991) Tetrahedron 47, 8985)等のプログラムも利用できる。
このようにして設計又は選択された化合物は、さらにサイトカイニン生合成酵素と接触させて該化合物がサイトカイニン生合成酵素に結合するか否かを判定することができる。上記結合化合物は一般的に用いられている化学合成の手法を用いて合成するか、又は天然化合物から得られる。該結合化合物がサイトカイニン生合成酵素と結合するか否かは種々の方法により判定することができ、例えば、tzsタンパク質の有するジメチルアリル基転移酵素活性を阻害するか否かを測定する。ジメチルアリル基転移酵素活性は、DMAPP存在下、放射性標識したAMPのiPAMPへの取り込みを検出することにより測定することができる(Powell,G.K. et al., Molecular Plant-Microbe Interactions Vol.1, No.6, pp.235-242 1988参照)。あるいは、放射性標識を用いずに活性を測定する方法としては、例えば、tzsタンパク質(0.6μg)を反応液(1Mベタイン、20mMトリエタノールアミン、50mM塩化カリウム、10mM塩化マグネシウム、15%(w/v)グリセロール、10mMβ−メルカプトエタノール、250mMイミダゾールpH8.0中に10μMのAMPと50μMのDMAPP含有)に25℃で10分静置し、その後仔牛小腸由来アルカリフォスファターゼ(10ユニット/μl)を1μl導入し、さらに37℃で10分静置する。そこに20%酢酸を28μl添加し、20000×gで20分間室温で遠心する。HPLCにWaters社製逆相カラム(symmetry C18, 4.6×150 mm)を装着し、溶媒A(2%酢酸)において平衡化した後、上清を200μlロードする。次に溶媒B(アセトニトリル)によってグラジエント(0 min, 100% A ; 1 min, 99% A + 1% B; 3 min, 93% A + 7% B; 11 min, 90% A + 10% B; 35 min, 60% A + 40% B; 45 min, 50% A + 50% B)をかける。グラジエント開始後、約25.1分でiPAMPがアルカリフォスファターゼによって脱リン酸化されたイソペンテニルアデニンリボシド(iPR)が溶出することが既に分かっているため、その時間における270nmの吸収の大きさからiPRの量を検出する。
本発明のさらに具体的な1つの実施形態として、以下の工程を含むことを特徴とするサイトカイニン生合成酵素の阻害剤を同定する方法が提供される:
(a)実質的に配列番号2に示すアミノ酸配列からなるサイトカイニン生合成酵素の三次元立体構造又はその部分を、コンピュータモデルを用いて構築する工程、
(b)前記三次元立体構造に基づいて、サイトカイニン生合成酵素に結合する候補化合物を設計又は選択する工程、
(c)前記設計又は選択された候補化合物を合成又は取得する工程、
(d)前記候補化合物によるサイトカイニン生合成の阻害活性を調べるために、前記候補化合物と前記サイトカイニン生合成酵素とを接触させる工程。
種々のリガンドと複合体を形成したサイトカイニン生合成酵素の三次元立体構造、特にその複合体を形成している部分(例えば、図4又は5に示した)の立体構造は、上記工程(b)において候補化合物の結合部位を推定する上で有用である。これらのリガンドには基質であるAMPやDMAPP、及びそれらの誘導体(基質類似物)が含まれるがこれらに限定されない。例えば、基質類似物の1つであるDMASPPとの複合体の構造は、酵素反応の遷移状態に極めて近い構造を持つことが予想され、この化合物を含まない酵素の活性中心近傍の構造とを比較することによって酵素活性を阻害するために重要なアミノ酸残基等を推定することができるであろう。
[ホモロジーモデリングによる立体構造予測]
一般的に、タンパク質の立体構造は一次構造(アミノ酸配列)より進化的に保存されやすいと考えられている。2つのタンパク質のアミノ酸配列の相同性が20〜30%以上であれば、それらの構造も類似している可能性が高い。したがって、本発明のtzsタンパク質の立体構造情報を用いて、アミノ酸配列の類似するタンパク質の立体構造を予測することができる。例えば、植物由来のサイトカイニン生合成酵素とtzsタンパク質のアミノ酸配列をアライメントし、tzsタンパク質の立体構造をテンプレート構造として構造未知のタンパク質の全原子をモデリングする。主鎖原子の座標はできるだけテンプレート構造を使い、挿入された配列の主鎖構造は新たに作成する。続いて側鎖原子の分子モデリングを行うことによって構造未知のタンパク質の立体構造を推定することができる。
tzs発現用プラスミドの作製
Agrobacterium tumefaciens C58由来のサイトカイニン生合成酵素tzs遺伝子を含むDNA断片を取得するために、pTi−SAKURAを鋳型にして、以下の2つのプライマー及びKOD1DNAポリメラーゼを用いてPCRを行った。
正方向プライマー:5'-CCGCGTCTCACATGTTACTCCATCTCATCTACGGACCG-3'(配列番号3)
逆方向プライマー:5'-CGCGGATCCCCGAATTCGCGTCAGCGTGAC-3'(配列番号4)
反応条件は、94℃で2分間変性させた後、50℃で30秒間、68℃で1.5分間、及び94℃で30秒間の反応を25サイクル繰り返した。増幅したDNA断片は、pCR−BluntII−TOPOベクター(インビトロジェン社)にクローン化し、塩基配列を決定して配列番号1に示した塩基配列と一致することを確認した。このプラスミドを制限酵素、BsmBIとBamHIで消化した後、tzs遺伝子を含むDNA断片を精製して、pQE60ベクター(キアゲン社製)のNcoI/BamHI部位に導入した。このプラスミドをpQE60−tzsとした。
大腸菌での発現
大腸菌BL21(DE3)株に、lacIをコードするプラスミドpREP4(キアゲン社製)を形質転換し、得られた株にシャペロンタンパク質groEL、groES、dnaK、dnaJ、grpEをコードしたプラスミドpG−KJE8(タカラバイオ株式会社製)を形質転換し、さらに得られた株に上記で作製したpQE60−tzsを形質転換した。3種類のプラスミドを保持する菌株を50μg/mlアンピシリン、25μg/mlカナマイシン、20μg/mlクロラムフェニコール、0.5mg/mlのL−アラビノース、1ng/mlテトラサイクリン、1Mソルビトール及び2.5mMベタインを含むM9培地中37℃で培養し、OD600が0.5になったところでIPTGを1mMとなるように添加した。さらに25℃で4.5時間培養した後、遠心分離によって大腸菌を回収し、−30℃で保存した。
tzs酵素タンパク質の精製
回収した大腸菌を、緩衝液A(50mMトリス塩酸、pH8.0、3.5mMの2−メルカプトエタノール、10容量%のグリセロール、500mMのNaCl、10mMのイミダゾール)で懸濁した後、超音波破砕機で菌を破砕した。遠心分離後、上清にNi−NTAスーパーフローゲル(キアゲン社製)を懸濁してからカラムにロードし、さらに、非特異的に吸着するタンパク質を除去するために、緩衝液B(50mMトリス塩酸、pH8.0、3.5mMの2−メルカプトエタノール、10容量%のグリセロール、500mMのNaCl、20mMのイミダゾール)でカラム中のゲルを洗った。ゲルに吸着したtzsタンパク質は、緩衝液C(50mMトリス塩酸、pH8.0、3.5mMの2−メルカプトエタノール、10容量%のグリセロール、500mMのNaCl、500mMのイミダゾール)で溶出した。溶出した液は、vivaspin20(Vivascience社製)で濃縮して、さらに緩衝液D(50mMトリス塩酸、pH7.5、3.5mMの2−メルカプトエタノール、200mMのNaCl)で平衡化したゲル濾過カラムHiLoad Superdex 75 prep-grade column(アマシャムバイオサイエンス社製)にロードした。得られたtzsタンパク質は、SDS−PAGEによって純度チェックをした後、10mMトリス塩酸、pH7.5、1mMジチオスレイトール溶液に一晩透析した。
tzs酵素タンパク質の結晶化
得られたタンパク質溶液を、vivaspin20で5mg/mlの濃度になるまで濃縮した。結晶化は、1.4M〜1.8Mギ酸ナトリウム、5mM酢酸マグネシウム、100mM酢酸ナトリウム緩衝液pH5.0〜5.4の組成の沈殿剤溶液を用いたハンギングドロップ蒸気拡散法によって行った。ドロップは、タンパク質溶液2μlと沈殿剤溶液2μlからなる。tzsタンパク質の結晶は、3〜4日間、4℃にて静置させることによって得られた。
データ収集
セレノメチオニン置換体、及び0.5〜1.5mMのAMPと共に結晶化したAMP入り結晶のそれぞれのデータセットを、理研播磨研究所の8GeVの大型放射光施設(SPring-8)のビームラインBL45XUで収集した。セレノメチオニン置換体については、XAFS測定によるセレン原子の吸収端の確認後、peak(0.9792Å)、edge(0.9794Å)、及びremote(0.9812Å)の3波長でデータ収集を行った。回折強度データは、データ処理プログラムHKL2000で処理した。天然型、AMP入り結晶は2.3Å、セレノメチオニン置換体は2.5Åのデータを収集することができた。DMASPP及び亜鉛イオン入り結晶は、天然型結晶を含むドロップ中に、15mMのDMASPPと30mMのZnClが入った溶液を0.5μl導入し、一晩4℃で静置した後、SPring-8、BL45XUでデータを収集し、2.1Åのデータを収集した。
立体構造の決定と精密化
セレノメチオニン置換体結晶の3波長のデータを用いて、プログラムSOLVEによって、セレン原子の位置と位相を決定した。さらにプログラムRESOLVEによって、density modification, automated model-buildingを行った。モデルの修正は、コンピュータグラフィックス上、プログラムxfitによって行われた。主鎖のトレースが9割程度終わったところで、プログラムCNSによるsimulated annealing法での構造精密化を行った。並行してプログラムxfitによって側鎖の位置を修正した。さらに得られたtzsタンパク質の原子座標をモデル分子とした分子置換法を、AMP入り結晶のデータに適用した。得られた解を用いて、rigid-body refinementを行った後、プログラムCNSによって構造精密化を行った。並行してプログラムXfitによって側鎖の位置を修正、水分子の同定を行った。精密化の最終段階は、プログラムREFMACを用いた。AMP入り結晶では、結晶学的信頼度因子R値が20.4%と良好な値を示し、tzsタンパク質のラマチャンドランプロットにおいても立体化学的に信頼できる構造であることが確認できた。DMASPPと亜鉛イオンとの複合体の構造精密化も同様に行い、結晶学的信頼度因子R値が19.5%と、ラマチャンドランプロットと共に良好な値を示した。
サイトカイニン生合成酵素tzsの立体構造である。(a)はリボンモデルにより二次構造(α−ヘリックス及びβ−シート構造)を表示し、(b)はこれを模式的に表したものである。 サイトカイニン生合成酵素tzsの立体構造を180度回転させて表示したモデル図である。 基質アナログであるDMASPP及び亜鉛イオンと複合体を形成したサイトカイニン生合成酵素tzsのチャネルの空洞に沿った断面の分子モデル図である。 サイトカイニン生合成酵素tzsの活性中心におけるAMPとの推定される結合様式を表した分子モデル図である。 サイトカイニン生合成酵素tzsの活性中心におけるDMASPPとの推定される結合様式を表した分子モデル図である。

Claims (23)

  1. サイトカイニン生合成酵素を大腸菌細胞内でシャペロンタンパク質と共発現させる工程、
    前記大腸菌細胞から、マグネシウムイオン非存在下においてサイトカイニン生合成酵素を精製する工程、及び
    得られたサイトカイニン生合成酵素のタンパク質溶液を、マグネシウムイオンと沈殿剤とを含むpH4.5〜6.5の緩衝液を用いて蒸気拡散法により結晶化する工程、
    を含むことを特徴とするサイトカイニン生合成酵素の結晶の製造方法。
  2. 前記サイトカイニン生合成酵素が、配列番号2に示したアミノ酸配列からなるタンパク質、又は配列番号2に示したアミノ酸配列において1又は数個のアミノ酸が欠失、置換、又は付加されたアミノ酸配列からなり、かつイソペンテニルアデノシン一リン酸(iPAMP)合成活性を有するタンパク質である請求項1に記載の方法。
  3. 斜方晶系の空間群P22に属し、格子定数がa=97.7±2.0Å、b=97.7±2.0Å、c=130.8±2.0Åであるサイトカイニン生合成酵素の結晶。
  4. 正方晶系の空間群P42に属し、格子定数が、a=b=96.4±2.0Å、c=65.2±2.0Å、であるサイトカイニン生合成酵素の結晶。
  5. 前記サイトカイニン生合成酵素が、配列番号2に示したアミノ酸配列からなるタンパク質、又は配列番号2に示したアミノ酸配列において1又は数個のアミノ酸が欠失、置換、又は付加されたアミノ酸配列からなり、かつイソペンテニルアデノシン一リン酸(iPAMP)合成活性を有するタンパク質である請求項3又は4に記載の結晶。
  6. 前記結晶が、アデノシン一リン酸(AMP)と複合体化されている請求項3〜5の何れか一項に記載の結晶。
  7. 配列番号2に示したアミノ酸配列からなるタンパク質、又は配列番号2に示したアミノ酸配列において1又は数個のアミノ酸が欠失、置換、又は付加されたアミノ酸配列からなり、かつイソペンテニルアデノシン一リン酸(iPAMP)合成活性を有するタンパク質であるサイトカイニン生合成酵素と、基質類似物との複合体の結晶。
  8. 前記基質類似物がアデノシン二リン酸(ADP)であり、正方晶系の空間群P42に属し、格子定数がa=b=97.2±2.0Å、c=65.2±2.0Åである請求項7に記載の結晶。
  9. 前記基質類似物がアデノシン5’−(β、γ−イミド)三リン酸(AMP−PNP)であり、正方晶系の空間群P42に属し、格子定数がa=b=97.1±2.0Å、c=65.3±2.0Åである請求項7に記載の結晶。
  10. 前記基質類似物がジメチルアリル−S−チオロ−二リン酸(DMASPP)及び亜鉛イオンであり、正方晶系の空間群P42に属し、格子定数がa=b=97.9±2.0Å、c=65.3±2.0Åである請求項7に記載の結晶。
  11. 前記基質類似物がジメチルアリル−S−チオロ−二リン酸(DMASPP)及び亜鉛イオンであり、斜方晶系の空間群P22に属し、格子定数がa=97.9±2.0Å、b=98.0±2.0Å、c=130.6±2.0Åである請求項7に記載の結晶。
  12. サイトカイニン生合成酵素の立体構造座標データを記憶させたコンピュータを用いて、前記酵素に結合する化合物を設計又は選択する、サイトカイニン生合成酵素阻害剤のスクリーニング方法。
  13. 前記立体構造座標データが、表1又は表2に示す原子座標により実質的に規定される請求項12に記載の方法。
  14. 前記結合化合物が、前記サイトカイニン生合成酵素のAMP結合部位へ結合する請求項12又は13に記載の方法。
  15. 前記AMP結合部位への結合が、前記結合化合物と、配列番号2に示したアミノ酸配列のAsp33、Arg34、Val35、Ser45、Ser99、Ile100、Ser101、及びAsp171からなる群より選択される少なくとも1つのアミノ酸残基の主鎖及び/又は側鎖との立体的な相互作用により形成される請求項14に記載の方法。
  16. 前記結合化合物が、前記サイトカイニン合成酵素のジメチルアリルピロリン酸(DMAPP)結合部位へ結合する請求項12又は13に記載の方法。
  17. 前記DMAPP結合部位への結合が、前記結合化合物と、配列番号2に示したアミノ酸配列のThr10、Lys14、Thr15、及びArg138の少なくとも1つのアミノ酸残基の側鎖、又はそれらと5Å以内の距離にあるアミノ酸残基との立体的な相互作用により形成される請求項16に記載の方法。
  18. 前記設計又は選択された化合物と、サイトカイニン生合成酵素とを接触させて該化合物がサイトカイニン合成活性を阻害するか否かを判定することを更に含む、請求項12〜17のいずれか一項に記載の方法。
  19. サイトカイニン生合成酵素の阻害剤を同定する方法であって、
    (a)実質的に配列番号2に示すアミノ酸配列からなるサイトカイニン生合成酵素の三次元立体構造又はその部分を、コンピュータモデルを用いて構築する工程、
    (b)前記三次元立体構造に基づいて、サイトカイニン生合成酵素に結合する候補化合物を設計又は選択する工程、
    (c)前記設計又は選択された候補化合物を合成又は取得する工程、及び
    (d)前記候補化合物によるサイトカイニン生合成の阻害活性を調べるために、前記候補化合物と前記サイトカイニン生合成酵素とを接触させる工程、
    を含むことを特徴とするサイトカイニン生合成酵素の阻害剤を同定する方法。
  20. 前記(b)工程が、基質類似物を含まないサイトカイニン生合成酵素と、前記基質類似物と複合体を形成したサイトカイニン生合成酵素との三次元立体構造を比較して候補化合物の結合部位を推定することを含む請求項19に記載の方法。
  21. 前記基質類似物がAMP又はDMAPPの誘導体である請求項20に記載の方法。
  22. 前記基質類似物がDMASPPである請求項21に記載の方法。
  23. 植物由来のサイトカイニン生合成酵素であって立体構造が未知のタンパク質の中から、配列番号2に示したアミノ酸配列と20%以上の相同性を有するアミノ酸配列からなるタンパク質を選択する工程、及び
    前記選択されたタンパク質の立体構造を、表1に示した原子座標を用いてホモロジーモデリング法により構築する工程、を含むことを特徴とする、サイトカイニン生合成酵素の三次元立体構造の推定方法。
JP2005078824A 2005-03-18 2005-03-18 サイトカイニン生合成酵素の結晶化及びその利用 Pending JP2006254834A (ja)

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* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CN110656077A (zh) * 2019-11-07 2020-01-07 江南大学 一种生产蔗糖磷酸化酶的方法及其应用

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Publication number Priority date Publication date Assignee Title
JP2003024084A (ja) * 2001-04-06 2003-01-28 Pfizer Inc 結晶構造
JP2004180565A (ja) * 2002-12-02 2004-07-02 Japan Science & Technology Agency プロスタグランジンf合成酵素の結晶化と構造、およびその利用
JP2004194581A (ja) * 2002-12-19 2004-07-15 Institute Of Physical & Chemical Research リポカリン型プロスタグランジンd合成酵素の3次元立体構造及びその使用

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JP2003024084A (ja) * 2001-04-06 2003-01-28 Pfizer Inc 結晶構造
JP2004180565A (ja) * 2002-12-02 2004-07-02 Japan Science & Technology Agency プロスタグランジンf合成酵素の結晶化と構造、およびその利用
JP2004194581A (ja) * 2002-12-19 2004-07-15 Institute Of Physical & Chemical Research リポカリン型プロスタグランジンd合成酵素の3次元立体構造及びその使用

Cited By (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CN110656077A (zh) * 2019-11-07 2020-01-07 江南大学 一种生产蔗糖磷酸化酶的方法及其应用

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