氧化鲨烯环化酶的晶体结构的制作方法

专利名称：氧化鲨烯环化酶的晶体结构的制作方法
技术领域：
本发明涉及重组表达足够量的哺乳动物氧化鲨烯环化酶(OSC)的方法，涉及哺乳动物OSC的晶形和来源于其的三维X射线晶体结构、新结构的建模、OSC配体的结合模式以及基于这些数据的使用进行合理的药物设计的方法。
背景技术：
2，3-氧化鲨烯羊毛固醇环化酶(OSC，E.C.5.4.99.7)是真核细胞中与内质网相关的单中心整合膜蛋白(monotopic integral membrane pntein)。其催化线性三萜(3S)-2，3-氧化鲨烯向稠环化合物如哺乳动物和真菌中的羊毛固醇或植物中的环阿屯醇转化的关键步骤。羊毛固醇是胆固醇和多种类固醇激素的前体。该骨架重排的高度立体选择性和精确性已经引起研究人员的兴趣近半个世纪，并且通过研究此复杂的酶催化的环化级联的机制细节，已经收集到宝贵数据(Viola，F.，等(2000)，合理设计的抑制剂作为比较鲨烯-何帕烯(hopene)环化酶与氧化鲨烯环化酶的工具，Lipids35，297-303)。现在，仍然存在对环化酶的兴趣，因为OSC成为开发抗真菌和低胆甾醇血症药物的靶标(Morand，O.H.等(1997)，Ro 48-8.071，一种降低仓鼠、松鼠猴和小种猪血浆胆固醇的新的2，3-氧化鲨烯羊毛固醇环化酶抑制剂与辛伐他汀的比较，J Lipid Res 38，373-90)。OSC在法呢焦磷酸的下游，在类异戊二烯和辅酶Q的合成之外。在仓鼠中，药理学活性剂量的OSC抑制剂不表现出有害副作用，相反抑制素降低食物摄取和体重并增加血浆胆红素、肝重和肝脏甘油三酯的含量(Morand等，J.Lipid Res.38，1997，373-390)。OSC抑制不引起HMGR的过度表达，因为一种间接的负反馈调节机制参与24(S)，25-环氧胆固醇的生产(Peffley等，Biochem.Pharmaco l.56，1998，439-449；Nelson等，J.Biol.Chem.256，1981，1067-1068；Spencer等，J.Biol.Chem.260，1985，13391-13394；Panini等，J.Lipid Res.27，1986，1190-1204；Ness等，Arch.Biochem.Biophys.308，1994，420-425)。该负反馈调节机制对OSC抑制概念是必要的，因为(i)其与HMGR的间接下调协同地加强了主要抑制效果，和(ii)其防止在肝中大量积累前体鲨烯一氧化物。此外，发现24(S)，25-环氧胆固醇是核受体LXR的最强激动剂之一(Janowski等，Proc.Nati.Acad.Sci.USA96，1999，266-271)。考虑到24(S)，25-环氧胆固醇是OSC抑制的副产物，推测OSC的抑制也可以间接活化依赖LXR的途径，如(i)胆固醇-7α-水解酶以通过胆汁酸途径增加胆固醇的消耗，(ii)ABC蛋白的表达从而可能刺激反向胆固醇运输并增加血浆HDL-C水平(Venkateswaran等，J.Biol.Chem.275，2000，14700-14707；Costet等，J.Biol.Chem.2000年6月，待出版；Ordovas，Nutr Rev 58，2000，76-79；Schmitz和Kaminsky，FrontBiosci 6，2001，D505-D514)，和/或抑制肠内胆固醇吸收(Mangelsdorf，第十二届动脉硬化症国际研讨会，斯德哥尔摩，2000年6月)。此外，猜测肝脏LXR介导的脂肪酸和胆固醇代谢之间可能存在通讯(Tobin等，Mol.Endocrinol.14，2000，741-752)。因此，抑制OSC的化合物也抑制胆固醇、麦角固醇和其他固醇的生物合成，并降低血浆胆固醇的水平。因此，它们一般可用于高胆固醇血症、高血脂、动脉硬化和血管病的治疗和预防。此外，它们可用于真菌病、寄生虫感染、胆石、胆汁郁积性肝病、肿瘤和过度增生性疾病，例如过度增生性皮肤和血管病的治疗和/或预防。而且，这些化合物也可以治疗性地用于提高葡萄糖耐受性以治疗和/或预防相关疾病，如糖尿病。
细菌鲨烯何帕烯环化酶的结构已经在其与抑制剂的复合物中解析了(Lenhart，A.，Weihofen，W.A.，Pleschke，A.E.和Schulz，G.E.，Chemistry &Biology，2002，Vol.9，639-645)。然而，与哺乳动物OSC不同，细菌鲨烯何帕烯环化酶(SHC)为二聚体(Wendt，K.U.，Poralla，K.，Schulz，G.E.，(1997)鲨烯环化酶的结构与功能，Science，277，1811-1815)并且催化与OSC相比具有不同的离析物和产物的反应。因此，哺乳动物OSC和SHC的活性位点区域和底物结合口袋之间具有显著不同，这在设计OSC配体时需要考虑到。
膜蛋白像三萜合成酶的研究通常由于细胞中蛋白量较低、不易建立过表达系统、及蛋白具有有限的溶解性和结晶能力而受到阻碍。对于OSC，也只能得到有限量的纯蛋白(Cattel，L.&Ceruti M.(1998)2，3-氧化鲨烯环化酶抑制剂作为研究该酶机理与功能的工具.Crit.Rev.Biochem.Mol.Biol.33，353-373)。在大多数情况下，该蛋白从天然来源纯化，如对于大鼠OSC(Kusano，M.，Abe，I.，Sankawa，U.&Ebizuka，Y.(1991)大鼠肝脏鲨烯-2，3-环氧化物羊毛固醇环化酶的纯化和一些性质.Chem PharmBull(东京)39，239-241)。大鼠OSC在酵母中的异源表达只产生少量重组蛋白(Abe，I.&Prestwich，G.D.(1995).大鼠氧化鲨烯环化酶cDNA的分子克隆、鉴定和功能表达，Proc.Natl.Acad.Sci.USA 92，9274-9278)。

发明内容
因此，本发明通过提供重组表达足够量的OSC的方法、OSC的晶形和它们的晶体结构信息，以及制备这些晶体的方法和用这些晶体通过基于结构的药物设计法鉴定和/或设计OSC的抑制剂的方法，解决了鉴定和/或设计OSC活性抑制剂的问题。
本发明涉及哺乳动物OSC的晶形和从它们得到的晶体结构信息，涉及重组表达足够量的OSC的方法，涉及制备这些晶形的方法，还涉及它们的用途——用于鉴定和/或设计OSC活性的抑制剂。本发明的另一个主题是鉴定和/或设计OSC活性抑制剂化合物的方法，通过这些方法鉴定的OSC活性的抑制剂化合物和它们在药物组合物中的用途——用于治疗和/或预防与OSC相关的疾病，这些疾病包括高胆固醇血症、高血脂、动脉硬化、血管病、真菌病、寄生虫感染和胆石，和/或治疗和/或预防受损的葡萄糖耐受、糖尿病、肿瘤和/或过度增生性疾病，优选治疗和/或预防高胆固醇血症和/或高血脂。
本发明提供了表达、纯化和结晶哺乳动物OSC以形成晶体的方法，该晶体用足够高的分辨率进行X射线衍射可以允许确定OSC或者OSC的一部分或亚结构域的三维结构。该三维结构可用于OSC配体的合理设计。晶体可用于确定潜在配体(例如抑制剂)的结合模式，这可通过将化合物浸入晶体中然后测定复合物的结构来实现。
在本发明的一个方面提供了哺乳动物OSC的晶形，优选具有空间群对称C2221(空间群编号20)和一个OSC单体在不对称单位中。优选地，晶体包括具有a，b和c三维的晶胞；其中a从186_到194_，b从198_到206_，c从58_到66_；且α＝β＝γ＝90°。优选地，晶体包括在如表3所列的原子结构坐标代表的空间关系中排列的原子和具有如图2所示所有倍数的任何三维结构，并且该晶体为含有至少约80％SEQ ID NO5中氨基酸的蛋白的晶体。OSC或者其片段、类似物或变体的原子坐标可用于OSC蛋白或OSC相关蛋白的建模。也可以根据此处鉴定的结合位点建立模型。优选地，该晶体包括含有SEQ ID NO5的天然蛋白的氨基酸序列的OSC以及其含有形成活性位点必需的所有氨基酸的缩短变体。本发明的晶体也可以是C末端添加氨基酸，例如具有C-末端标签的哺乳动物OSC的晶体，如含有SEQ ID NO6的氨基酸序列的具有His-标签的哺乳动物OSC的晶体。
本发明的晶体包括脱辅基晶体(apo crystal)和共晶体(co-crystal)。本发明的脱辅基晶体指所形成的活性位点没有发生结合或不具有变构配体但可以包括结合的去污剂和/或脂质的哺乳动物OSC晶体。共晶体通常包括配体结合到活性位点或变构位点的OSC。“活性位点”通常指酶催化的酶促反应发生的位点。活性位点配体指特异结合哺乳动物OSC的活性位点的任何化合物。一些数据显示非竞争性抑制，暗示了OSC的变构位点(Abe，I.，Zheng，Y.F.&Prestwich，G.D.(1998)通过含有二苯甲酮的抑制剂光亲和标记氧化鲨烯环化酶和鲨烯环化酶.Biochemistry 37，5779-5784)。
优选地，本发明的共晶体形式的特征在于具有空间群C2221(空间群编号20)且不对称单位中一个OSC单体。
更优选地，该共晶体形式的晶胞尺寸a从186_到194_，b从198_到206_，c从58_到66_；且α＝β＝γ＝90°，并且具有C2221对称。
本发明的共晶体形式通常含有结晶的OSC多肽和与之在该多肽的活性或变构结合位点结合的一个或多个化合物。结合可以是共价或非共价的。
本发明的OSC(2，3-氧化鲨烯羊毛固醇环化酶(E.C.5.4.99.7))可以是哺乳动物OSC。优选地，本发明的OSC是人OSC(hOSC)。优选地，OSC包括SEQ.ID NO5中提出的氨基酸序列以及含有形成活性位点必需的所有氨基酸的OSC的缩短变体或者含有C-末端氨基酸添加的如SEQ ID NO6中提出的延长变体。
应该理解本发明的OSC晶形不限于天然形成的或者天然的OSC(包括重组产生的OSC)的晶形。实际上，本发明的晶体包括天然OSC的突变体。天然OSC的突变体可以通过在天然OSC中将至少一个氨基酸残基以不同氨基酸残基置换，或者通过在天然多肽中或者在天然多肽的N-或C-末端加入或缺失氨基酸残基得到，并且与衍生出该突变体的原OSC具有基本相同的三维结构。
具有基本相同的三维结构指来自脱辅基晶体或共晶体的一套原子结构坐标与天然OSC的原子结构坐标叠置(superimpose)，当OSC的至少50％的α碳原子包括在交叠中时，得到均方根偏差小于或等于约1.5_。
在某些情况下，尤其有益或有利的是对天然OSC进行置换、缺失和/或添加氨基酸残基以在编码该多肽的cDNA中提供方便的克隆位点、有助于多肽的纯化，等等。这些不根本上改变天然OSC的三维结构的置换、缺失和/或添加对于本领域技术人员是显而易见的。
应该注意到此处设想的突变体不必显示出OSC活性。实际上，本发明特别设想了干扰OSC酶活性但不显著改变结构域的三维结构的氨基酸置换、添加或缺失。这些结晶多肽或从中得到的原子结构坐标可用于鉴定结合天然酶的化合物。这些化合物可以影响天然酶的活性。
此处描述的天然和突变的OSC多肽可以从天然来源分离或者通过分子生物学领域中技术人员熟知的方法生产。所用的表达载体可以含有天然或突变的OSC多肽编码序列和合适的转录和/或翻译控制信号。这些方法包括体外重组DNA技术、合成技术和体内重组/遗传重组。见，例如Maniatis等(1989)分子克隆实验指南(Molecular CloningA Laboratory Manual)，冷泉港实验室，NY和Ausubel等(1989)分子生物学当前方案(CurrentProtolols in Molecular Biology)，Greene Publishing Associates and WileyInterscience，NY中描述的技术。
许多宿主-表达载体系统可被用来表达OSC编码序列。这些系统包括但不限于用含有OSC编码序列的重组噬菌体DNA、质粒DNA或粘粒DNA表达载体转化的微生物如细菌；用含有OSC编码序列的重组酵母表达载体转化的酵母；用含有OSC编码序列的重组病毒表达载体(例如杆状病毒)感染的昆虫细胞系统；用含有OSC编码序列的重组病毒表达载体(例如花椰菜花叶病毒，CaMV；烟草花叶病毒TMV)感染或者含有OSC编码序列的重组质粒表达载体(例如Ti质粒)转化的植物细胞系统；或者动物细胞系统。这些系统的表达元件的长度和特性不同。取决于所用的宿主/载体系统，可以使用任一种合适的转录和翻译元件，包括组成性和诱导性启动子，如噬菌体μ的pL、plac、ptrp、ptac(ptrp-lac杂合启动子)等等；当在昆虫细胞系统中克隆时，可以使用启动子如杆状病毒多角体蛋白启动子；当在植物细胞系统中克隆时，可以使用来自植物细胞基因组的启动子(例如，热休克启动子、RUBISCO小亚基启动子、叶绿素a/b结合蛋白启动子)或者来自植物病毒的启动子(例如，CaMV的35S RNA启动子、TMV的外壳蛋白启动子)；当在哺乳动物细胞系统中克隆时，可以使用来自哺乳动物细胞基因组的启动子(例如金属硫蛋白启动子)或来自哺乳动物病毒的启动子(例如，腺病毒晚期启动子、痘苗病毒7.5K启动子)；当产生含有OSC编码序列的多个拷贝的细胞系时，可以使用具有合适的选择性标记的基于SV40-、BPV-和EBV-的载体。
在本发明的一个优选的实施方案中，提供了分离的含有SEQ ID NO4的核苷酸序列的编码hOSC的核酸序列。
此外，提供了包含分离的含有SEQ ID NO4的核苷酸序列并编码hOSC的核酸序列的表达载体。优选地，该表达载体是在巴斯德毕赤酵母(Pichia pastoris)中表达蛋白的表达载体。此外，提供了用所述表达载体转化的宿主细胞。优选地，该宿主细胞是巴斯德毕赤酵母。
本发明的另一个方面涉及hOSC的生产方法，其包括在允许宿主细胞表达hOSC的条件下培养含有所述表达载体的宿主细胞。优选地，宿主细胞是巴斯德毕赤酵母。本发明还提供了通过该方法生产的hOSC。优选地，生产的hOSC的量足够用于得到质量适于高分辨率结构测定的OSC晶形。
可以通过蛋白质结晶学领域中熟知的技术得到本发明的脱辅基晶体、衍生物和共晶体，这些技术包括间歇式(batch)、液体桥(liquld bridge)、自由界面扩散、透析、蒸发扩散和悬滴方法(见例如McPherson(1982)，蛋白质晶体的制备和分析(Preparation and Analysis of Protein Crystals)，John Wiley，NY；McPherson(1990)，Eur.J.Biochem.1891-23；Webber(1991)Adv.Protein Chem.411-36；核酸和蛋白质的结晶(Crystallizeation of Nucleic Acid and Protein)，Arnaud Ducruix和Richard Giege编辑，牛津大学出版社；蛋白质结晶技术、策略和技巧(Protein Crystallization Techniques，Strategies，and Tips)，TereseBergfors编辑，International University Line，1999)。一般地，通过将可溶的足够纯的OSC多肽置于含有浓度刚好低于沉淀该蛋白所需浓度的沉淀剂的水性缓冲液中来生长本发明的脱辅基晶体或共晶体。然后通过受控蒸发从溶液中除去水分以产生结晶条件，保持该条件直到晶体生长停止。
优选地，通过用于结晶哺乳动物OSC的方法产生OSC晶形，该方法包括提供缓冲的水性溶液，pH为7.5到9.5，具有浓度为2mg/ml到40mg/ml的单分散哺乳动物OSC。更优选地，提供存在于去污剂胶束(micelles)中的哺乳动物OSC，去污剂选自非离子去污剂，包括烷基葡糖苷，例如，正辛基-β-D-吡喃葡萄糖苷(β-OG)，烷基麦芽糖苷，例如，DDM(十二烷基麦芽糖苷)，烷基氧乙烯低聚物、例如，C8E5，和多分散的聚氧乙烯，例如Triton；和两性离子去污剂(兼性去污剂)，包括磺基三甲铵乙内酯，例如，Zwittergent，和三甲铵乙内酯；和阳离子去污剂，包括烷基二甲胺氧化物，例如，十二烷基二甲胺氧化物(LDAO)，和CHAPS系列，例如CHAPS。优选地，去污剂是非离子去污剂或阳离子去污剂。更优选地，去污剂是烷基葡糖苷，例如浓度为0.3％w/v到3％w/v的β-OG。最优选地，通过结晶哺乳动物OSC的方法产生OSC晶形，该方法包括(a)提供pH7.5-9.5的缓冲的水性溶液，其中具有浓度为2mg/ml到40mg/ml的哺乳动物OSC在β-OG胶束里，和(b)用含有2％到25％有机两亲性小分子和10％到35％PEG(聚乙二醇)的缓冲沉淀剂溶液生长晶形。优选地，有机两亲性小分子选自甘油、乙二醇、丁基醚、苄脒、二噁烷、乙醇、异丙醇、丁醇、戊醇、甲基戊二醇、戊二醇、己二醇、庚三醇和蔗糖。优选地，哺乳动物OSC在巴斯德毕赤酵母中生产。
优选地，利用共结晶哺乳动物OSC和活性位点配体的方法产生共晶体，该方法包括提供pH7.5-9.5、具有单分散性哺乳动物OSC(浓度为2mg/ml到40mg/ml)的缓冲水性溶液并将活性位点配体加入到哺乳动物OSC水溶液中。更优选地，提供位于去污剂胶束中的哺乳动物OSC，去污剂选自非离子去污剂，包括烷基葡糖苷，例如，正辛基-β-D-吡喃葡萄糖苷(β-OG)，烷基麦芽糖苷，例如，DDM(十二烷基麦芽糖苷)，烷基氧乙烯低聚物、例如，C8E5，和多分散的聚氧乙烯，例如Triton；和两性离子去污剂(兼性去污剂)，包括磺基三甲铵乙内酯；例如，Zwittergent，和三甲铵乙内酯；和阳离子去污剂，包括烷基二甲胺氧化物，例如，十二烷基二甲胺氧化物(LDAO)，和CHAPS系列，例如CHAPS。优选地，去污剂是非离子去污剂或阳离子去污剂。更优选地，去污剂是烷基葡糖苷，例如浓度为0.3％w/v到3％w/v的β-OG。最优选地，通过结晶哺乳动物OSC的方法产生OSC晶形，该方法包括(a)提供具有浓度为2mg/ml到40mg/ml的(于β-OG胶束里)哺乳动物OSC的pH7.5-9.5缓冲水性溶液，(b)将活性位点配体加入哺乳动物OSC水性溶液中，和(c)用含有2％到25％有机两亲性小分子和10％到35％PEG(聚乙二醇)的缓冲沉淀剂溶液生长晶形。优选地，有机两亲性小分子选自甘油、乙二醇、丁基醚、苄脒、二噁烷、乙醇、异丙醇、丁醇、戊醇、甲基戊二醇、戊二醇、己二醇、庚三醇和蔗糖。优选地，哺乳动物OSC在巴斯德毕赤酵母中生产。优选地，摩尔过量地加入活性位点配体。
本发明的另一个方面涉及通过本发明的结晶或共结晶OSC的方法产生的OSC晶形或共晶形。
此外，本发明提供了用于测定哺乳动物OSC的三维结构的OSC晶形或者与配体结合的OSC共晶形。
本发明的另一个方面是用晶形和活性位点鉴定潜在的OSC配体。原子坐标/x射线衍射数据可用于建立物理模型，该模型可用于设计可以与OSC的确定的活性位点、结合位点或其他结构域或功能域或亚域相互作用的化合物的分子模型。备选地，复合物的原子坐标/x射线衍射数据可以以计算机可读介质上的原子模型输出数据表示，该输出数据可用于计算机建模系统中以计算预期与OSC的确定的活性位点、结合位点或其他结构域或功能域或亚域相互作用的不同分子。例如，数据的计算机分析允许计算OSC和配体的三维相互作用从而证实配体结合OSC的特定域或亚域或者改变了它们的构象。然后可以合成通过物理模型或计算机模型的分析鉴定的配体并用合适的分析方法检验其生物学活性。
本发明的原子坐标/x射线衍射数据通常在计算机可读介质上提供。技术人员可以存取并分析该数据以确定结构和/或者用基于计算机的系统合理的设计配体(例如，抑制剂)。典型的计算机系统包括硬件设备、软件设备和数据存储设备。硬件设备通常包括中央处理器(CPU)、输入设备、输出设备和数据存储设备。本领域技术人员可容易地知道哪一种现今可得到的基于计算机的系统适于本发明的实际操作。
现有许多商业软件程序可用在基于计算机的系统中进微据分析和比较。本领域技术人员可容易地知道哪种可得到的进行计算机分析的算法或者执行软件包可用于或者经改造后适用于此基于计算机的系统。目标结构基序或目标基序指任何合理选择的序列或序列组合，其中序列的选择基于目标基序折叠后所形成的三维构型或者电子密度图来进行。本领域中公知多种目标基序。蛋白质目标基序包括，但不限于，酶促活性位点、结构亚域、表位、功能域和信号序列。可以使用用于输入和输出设备的多种结构格式在本发明基于计算机的系统中输入和输出信息。
多种比较方法可以用于比较目标序列或目标基序与数据存储设备中的数据以鉴定结构基序或解释部分来自原子坐标/x射线衍射数据的电子密度图。本领域技术人员可以容易地知道可以使用的任何一种公众可得到的计算机建模程序。
可用于查看、分析、设计和/或建模蛋白的合适软件包括MOLOC(Roche，1985)、FRED、MAIN、FlexX、Gold、XtalView、AlchemyTM、LabVisionTM、SybylTM、MolcaddTM、LeapfrogTM、MatchmakerTM、GenefoldTM和SitelTM(可从Tripos Inc.，St.Louis，MO.得到)；QuantaTM、Cerius2TM、X-PlorTM、CNSTM、CatalystTM、ModellerTM、ChemXTM、LudiTM、InsightTM、DiscoverTM、CameleonTM和IditisTM(可从Accelrys Inc.，Princeton NJ得到)；RasmolTM(可从Glaxo Research and Development，Greenford，Middlesex，U.K得到)；MOETM(可以Chemical ComputingGroup，Montreal，Queba，加拿大得到)；MaestroTM(可从ShrdingerInc.得到)；Midas/MidasPlusTM(可从UCSF，San Francisco，CA得到)；VRML(webviewer-因特网上的免费软件)；Chime(MDL-因特网上免费软件)；MOIL(可从University of Illinois，Urbana-Champaign，IL得到)；MacroModelTM和GRASPTM(可从Columbia University，New York，NY得到)；RibbonTM(可从University of Alabama，Tuscaloosa，Alabama得到)；MAOMITM(可从Oxford University，Oxford，UK得到)；ExplorerEyeChemTM(可从Silicon Graphics Inc.，Mountain View，CA得到)；UnivisionTM(可从Cray Research Inc.，Seattle WA得到)；MolscriptTM和O(可从Uppsala University，Uppsala，Sweden得到)；Chem 3DTM和Protein ExpertTM(可从Cambridge Scientific得到)；以及它们的升级版本。
数据收集前可将晶体冰冻。
冰冻晶体的镶嵌延展(mosaic spread)有时可通过退火降低，其中冷氮气流被暂时阻断使得冰冻的晶体在氮气流中再次被冰冻前短暂融化。使用瑞士光源(SLS，Villigen，瑞士)以同步束线(synchrotron beam line)PX6A从冰冻晶体收集通常延到2.2_的衍射数据。在最优条件下，记录延到1.8_的数据。优选地，收集数据到分辨率为3.5_或更好。更优选地，收集数据到分辨率为2.7_或更好。
可以根据X射线晶体学领域的技术人员公知的方法，通过将脱辅基晶体或共晶体浸泡在含有重金属原子的盐的母液中得到本发明的衍生晶体。
通过将脱辅基晶体浸泡在含有结合活性位点的配体的母液中，或者通过在一种或多种结合活性位点或变构位点的配体的存在下共结晶OSC多肽可以得到本发明的共晶体。优选地，所形成的共晶体具有不被酶转化的活性位点OSC配体。这种活性位点配体的一个实例是[4-[6-(烯丙基-甲基-氨基)-己氧基]-2-氟-苯基]-(4-溴-苯基)-甲酮延胡索酸盐。
在本发明的另一个实施方案中，提供了以分辨率为3.5_或更好确定哺乳动物OSC晶形的三维结构的方法，该方法包括(a)结晶哺乳动物OSC；和(b)通过X射线衍射分析哺乳动物OSC的晶形以确定哺乳动物OSC晶形的三维结构，由此确定哺乳动物OSC晶形的三维结构达到分辨率3.5_或更好。
本发明还涉及机器可读的数据存储介质，其含有用机器可读数据编码的数据存储材料，当使用以运用所述数据的指令编程的机器时，所述数据显示为包括配体结合活性位点的分子或分子复合物的三维图形，所述分子或分子复合物含有哺乳动物OSC的至少一部分，而OSC含有SEQ IDNO5的氨基酸。其中，所述配体结合活性位点通过表3所列结构坐标表示的一组点定义，这组点与代表所述氨基酸的主链α碳原子的点的均方根差小于约1.5_。
本发明的晶体，尤其是从中得到的原子结构坐标，具有各种用途。例如，此处描述的晶体和结构坐标尤其可用于鉴定与OSC相互作用的化合物，作为开发新的治疗剂的方法。可以开发所述化合物的药物组合物和使用所述化合物生产含有所述化合物的药物，用于治疗和/或预防与OSC相关的疾病——这些疾病包括高胆固醇血症、高血脂、动脉硬化、血管病、真菌病、寄生虫感染和胆石，和/或治疗和/或预防受损的葡萄糖耐受、糖尿病、肿瘤和/或过度增生性疾病，优选治疗和/或预防高胆固醇血症和/或高血脂。过度增生性皮肤和血管疾病是尤其考虑的过度增生性疾病。
因此，本发明还涉及本发明的晶形或共晶形的用途，用于鉴定和/或设计OSC活性的抑制剂。
此外，本发明涉及鉴定与OSC相互作用的化合物的方法，包括步骤(a)用表3中所列结构坐标建立OSC的三维结构模型，与所述氨基酸的主链α碳原子的均方根差小于1.5_；和(b)使用所述三维模型设计或选择与OSC相互作用的化合物。
另一方面，该方法还包括步骤(c)得到所鉴定的化合物；和(d)将所得化合物与OSC接触以确定该化合物对OSC活性的影响。
这些方法中的化合物可以是与OSC活性位点相互作用的化合物或者是与OSC变构位点相互作用的化合物。优选的是与OSC活性位点相互作用的化合物。更优选的是在本发明方法的步骤(d)中对OSC活性表现抑制作用的化合物。
在本发明的另一个方面，鉴定与OSC相互作用的化合物的方法为计算机辅助方法。优选地，为了确定是否该化合物预期将结合或干扰分子或分子复合物，可以包括在该化合物和该分子或分子复合物的结合位点或底物结合表面之间进行拟合(fitting)操作，然后通过计算分析拟合操作的结果来量化化合物与结合位点之间的结合或干扰。任选地，该方法还包括筛选化合物文库。任选地，该方法还包括提供或合成化合物，然后分析该化合物以确定其是否与哺乳动物OSC相互作用或者对哺乳动物OSC活性有影响。
本发明还涉及通过用于鉴定与OSC相互作用的化合物的所述方法鉴定的化合物。
此处描述的结构坐标可用作确定其他天然或突变的OSC的晶体结构以及这种OSC与所结合的活性位点抑制剂或激活剂的共晶体的结构的定相模型(phasing model)。结构坐标以及从中得到的三维结构模型也可用于帮助阐明天然或突变的OSC的基于溶液的结构，如通过NMR得到的结构。从而，本发明的晶体和原子结构坐标为阐明OSC或其他环化酶的结构和功能提供了便利手段。
为了阐明和讨论的目的，将通过参考特定的OSC示例性脱辅基晶体和共晶体描述本发明的晶形。本领域中技术人员能够理解此处所描述的原则可以一般地应用于任何哺乳动物OSC，包括但不限于hOSC的晶形。
因此，在本发明的另一方面，提供了含有通过本发明方法鉴定的可影响OSC活性的化合物，或其药学上可接受的盐和药学上可接受的载体的药物组合物。
此处所用术语“药学上可接受的”指在合理的医学判断范围内适于与人和动物组织接触而不产生过度的毒性、刺激、过敏反应或其他问题或并发症，具有合理的益处/风险比的那些化合物、物质、组合物和/或剂量形式。
此处所用的“药学上可接受的盐”指所公开化合物的衍生物，其中母体化合物通过生成其酸式或碱式盐而修饰。药学上可接受的盐的例子包括，但不限于，碱性残基如胺的无机或有机酸盐；酸性残基如羧酸的碱金属盐或有机盐；等等。药学上可接受的盐包括从例如无毒的无机或有机酸形成的母体化合物的传统的无毒盐或季铵盐。例如，这些传统的无毒盐包括衍生自无机酸如氢氯酸、氢溴酸、硫酸、氨基磺酸、磷酸、硝酸等的无毒盐；以及从有机酸如乙酸、丙酸、琥珀酸、乙醇酸、硬脂酸、乳酸、苹果酸、酒石酸、柠檬酸、抗坏血酸、pamoic、马来酸、羟基马来酸、苯乙酸、谷氨酸、苯甲酸、水杨酸、对氨基苯磺酸、2-乙酸基苯甲酸、延胡索酸、苯磺酸、甲苯磺酸、甲磺酸、乙二磺酸、草酸、羟乙磺酸，等等制备的盐。
可通过常用的化学方法从含有碱性或酸性部分的母体化合物合成本发明的药学上可接受的盐。通常，可通过将这些化合物的游离酸或碱形式与化学计算量的合适的碱或酸在水中或有机溶剂中，或者两者的混合物中反应而制备这些盐；通常，优选非水性介质，像醚、乙酸乙酯、乙醇、异丙醇或乙腈。合适的盐的列表见Remington’s Pharmaceutical Sciences，第17版，Mack出版公司，Easton，PA，1985，1418页，此处将其公开内容引入作为参考。
“稳定的化合物”和“稳定的结构”指化合物足够稳定以致可以从反应混合物中以有用的纯度被分离出来，并配制成有效的治疗剂。
此外，提供了通过本发明的方法鉴定的对OSC活性有影响的化合物，其用作治疗活性物质，尤其是用于治疗和/或预防OSC相关疾病——这些疾病包括高胆固醇血症、高血脂、动脉硬化、血管病、真菌病、寄生虫感染和胆石，和/或治疗和/或预防受损的葡萄糖耐受、糖尿病、肿瘤和/或过度增生性疾病，优选治疗和/或预防高胆固醇血症和/或高血脂。过度增生性皮肤和血管疾病尤其是考虑的过度增生性疾病。
本发明的另一个方面涉及通过本发明方法鉴定的对OSC活性有影响的化合物的用途，用于生产药物治疗和/或预防OSC相关疾病——这些疾病包括高胆固醇血症、高血脂、动脉硬化、血管病、真菌病、寄生虫感染和胆石，和/或治疗和/或预防受损的葡萄糖耐受、糖尿病、肿瘤和/或过度增生性疾病，优选治疗和/或预防高胆固醇血症和/或高血脂。过度增生性皮肤和血管疾病尤其是应考虑的过度增生性疾病。
现在已经一般性地描述了本发明，下面通过具体实施例和下面的附图使该发明更易理解，除非特别指出，此处包括的这些实施例用于举例阐明而非限定。
附1纯化后hOSC的SDS-PAGE。泳道1凝胶过滤后纯化的hOSC-标签；泳道M标准蛋白，分子量以kDa给出；泳道2相同蛋白样品的相应Western印迹，使用抗myc-表位的抗体。
图2去污剂对活性的影响。通过所描述的放射活性测定法测定1小时内转化成羊毛固醇的MOS的量。将羊毛固醇的百分数对测定中所用hOSC-标签的蛋白浓度(0.1-1μg/ml)作图。通过向测定缓冲液(50mM磷酸钠缓冲液(pH7.4)，1mM EDTA，1mM二硫苏糖醇)补充合适的去污剂(0.2％TritonX-100(λ)，0.6％C8E5(τ)，0.8％β-OG(v)，0.2％β-OG(o)和0.02％DDM(σ)，测试不同去污剂的影响。对分析性超速离心实验中在某浓度下给出单分散蛋白的去污剂(表1)加下划线。
图3hOSC的立体带状图解。标出了两个(α/α)桶结构域(灰色＝外部桶螺旋，浅灰色＝内部桶螺旋)和C-和N-末端。螺旋8(白色)带有插入膜中的非极性平台的一部分。结合的抑制剂(黑色)指出中心活性位点腔的位置。
图4A)结晶屏(crystallization screen)(condition22，晶体屏1，Hampton Research)中发现的晶体。可见相分离和小的去污剂晶体。B)悬滴中生长的优化的晶体，储液中含有25％PEG 3350、0.4M乙酸钠、0.1M Tris，pH8.5，10％(w/v)甘油。虽然以β-OG饱和的蛋白溶液被用于结晶，但是没有发生相分离。
图5A)结合抑制剂[4-[6-(烯丙基-甲基-氨基)-己氧基]-2-氟-苯基]-(4-溴-苯基)-甲酮延胡索酸盐的OSC的立体视图与所选的相互作用侧链。灰色侧链形成限制位点，其将活性位点口袋与非极性底物摄取通道分开。
B)与抑制剂[4-[6-(烯丙基-甲基-氨基)-己氧基]-2-氟-苯基]-(4-溴-苯基)-甲酮延胡索酸盐带正电的氨基基团相互作用的OSC残基。类似的相互作用将稳定环化反应中带正电的早期高能中间物。色氨酸Trp387和Trp581能够通过阳离子-π相互作用稳定氨基N原子位置的正电荷。抑制剂氨基基团与催化性天冬氨酸Asp455氢键结合。
C)抑制剂苯甲酮基团和蛋白质之间的相互作用。末端溴苯基基团和Trp192(3.6_)与Trp230(3.7_)存在边对面的相互作用，和Phe521(4.6_)存在面对面相互作用。氟苯基基团被堆叠在Phe696(3.7_)和His232咪唑环(3.1_)之间。限制位点(灰色)中Tyr237侧链的构象变化可以将活性位点腔与底物进入通道连接起来。
图6抑制剂[4-[6-(烯丙基-甲基-氨基)-己氧基]-2-氟-苯基]-(4-溴-苯基)-甲酮延胡索酸盐的结构式。
图7催化残基区的叠置OSC-灰色，SHC-黑色。疏水通道顶端的芳香残基(通过图中星号指出)在OSC和SHC所属的环化酶家族的成员间高度保守。认为这些残基的侧链对于阳离子的稳定(在鲨烯(SHC)和2，3-氧化鲨烯(OSC)的环化级联中通过π-阳离子相互作用实现)是重要的。疏水通道顶端的这些残基的高度保守和推测的A环形成的类似环化机制很相符。然而，在环化酶催化的该过程的启动上存在差异SHC需要通过鲨烯的C＝C双键的质子化作用(烯烃质子化作用)启动环化级联，而OSC催化的环化通过2，3-氧化鲨烯的环氧化物质子化作用来启动。
图8催化性ASP侧链定向的差异(OSC-灰色，SHC-黑色)。
实施例除非另外说明，实施例中提及的商业试剂根据生产商的说明书使用。
所用的缩写词包括β-OG(正辛基-β-D-吡喃葡萄糖苷)；DDM(十二烷基吡喃麦芽糖苷)；C8E5(正辛基-五(氧乙烯))；LDAO(十二烷基二甲胺氧化物)。
实施例1hOSC的异源表达和纯化DNA操作和序列分析按照Sambrook(SamBrook，J.，等，(1989)，分子克隆实验指南(冷泉港，NY，冷泉港实验室出版社，1989)所描述的进行DNA探针的制备，和限制性内切酶的消化，DNA的连接和大肠杆菌(E.Coli)菌株的转化。对于DNA测序，使用ABI PRISM BigDye Terminator Cyclesequencing Ready Reaction Kit和ABI PRISM 310遗传分析仪。在T3Thermocycler(Whatman Biometra)中使用Pfu聚合酶(Stratagene)进行PCR。
通过PCR使用cDNA作为模板扩增人OSC(hOSC)。用于PCR的寡核苷酸为5’-GTACCTTTCGAAACAATGACGGAGGGCACGTGTCTGCGG-3’(SEQID NO1)(其具有SfuI位点，用粗体表示)和，对于具有His-标签的hOSC，5’-GCCTCTAGATCAGGGGTGGCCAGCAAGGG-3’(SEQ IDNO2)，或，对于野生型hOSC(SEQ ID NO4)，5’-GGCTCTAGATCAGGGGTGGCCAGCAAGGG-3’(SEQ ID NO3)，两者都有一个XbaI位点(以粗体表示)。使用这两个新的限制性位点，两个扩增的DNA片段都克隆到pPICZB载体(Invitrogen)中，导致具有myc-表位和C末端的6xHis-tag(对于具有标签的构建体)的融合物。通过测序证实序列。将pPICZB-hOSC用PmeI线性化，通过电穿孔法转化巴斯德毕赤酵母菌株GS115，按照发行商Invitrogen的推荐检查所获菌落的表型。
单中心膜蛋白hOSC被克隆到pPICZB载体中，形成有和没有标签的构建体。对于由于克隆而具有标签的变体，在myc-表位和6xHis-标签(EQKLISEEDLNSAVDHHHHHH)前的最后一个氨基酸脯氨酸被改变成亮氨酸。对完整基因的测序表明与报道的序列(Sung，C.K.等，编码人羊毛固醇合成酶的cDNA的分子克隆，Biol Pharm Bull 18，1459-61和Young，M.，等，(1996)，将人羊毛固醇合成酶基因作图至染色体21q22.3，HumGenet 97，620-4)相比存在一个突变L642V。该保守突变在文献中被描述为单核苷酸多态性(SNPs)并且似乎非常普遍(Roessler，J.等(1989).分子克隆实验室指南(Molecular CloningA laboratory Manual)(冷泉港，NY，冷泉港实验室出版社1999)。
巴斯德毕赤酵母中重组人OSC的表达将PmeI线性化的hOSCtag-pPICZB和hOSC-pPICZB转化到GS115中，对于这两种构建体，在含有100μg/ml Zeocin的选择平板上形成很多菌落。对于每种构建体，检验具有表型MutS的8个克隆及具有pPICZB的对照GS115的hOSC表达。对于该小规模表达检验，菌落在30℃生长在含有zeocin(100μg/ml)的YPD培养基(1％酵母抽提物，2％蛋白胨、2％葡萄糖)中到OD600为10-12。通过离心收集细胞并重新悬浮在补加2％甲醇的YP培养基中。每24小时加入相同量的甲醇。48小时后收获细胞，用玻璃珠裂解法破碎。通过Western印迹使用抗myc-表位的单克隆抗体(Invitrogen)分析上清液，或者使用通过免疫兔产生的抗合成肽(C471-P-H-V-T-E-H-I-P-R480；SEQ ID NO7)的多克隆抗体。通过SDS-PAGE分离巴斯德毕赤酵母细胞的玻璃珠裂解上清液并通过转移电泳(25V 120分钟，使用12mM Tris碱，96mM甘氨酸和10％甲醇作为转移缓冲液)将其固定在PDVF-膜(Invitrogen)上。使用Roche Diagnostics的Lumi-Lightplus试剂盒，按照生产商所推荐的进行封闭和检测。
在使用多克隆hOSC抗体的Western印迹中，对于两种构建体，均只有一个克隆被鉴定到具有显著信号。
对于大规模表达，用上述相同的实验方案进行Western印迹中具有最强信号的转化细胞系的1升培养(含有500ml培养基的2×2L摇瓶)。生产水平中等，有和没有标签的变体的生产水平分别为每克细胞质量约1-2mg和0.5mg。
具有6xHis-标签的hOSC的纯化将从1升培养物中收获的表达hOSC 6xHis-标签(SECE ID NO6)的细胞(40g)重悬于每50ml补加1mM DNase(Roche Diagnostics)和2片完全蛋白酶抑制剂(Roche Diagnostics)的50mM Tris-HCl pH7.5，5％甘油，2mM TCEP和2mM MgCl2(缓冲液A)中。在1.9kbar于BasicZ Model细胞匀浆器(Constant Systems LTD)中破碎细胞悬液，超声3分钟(50％，水平5，0℃)并用细胞匀浆器进行第二轮匀浆。将Triton X-100(Fluka)加入粗提取物中(终浓度为0.2％)并在4℃孵育1小时。31000xg(JA20，Beckman)离心半小时后将上清液加到用缓冲液A加0.2％TritonX-100平衡的Ni-NTA-琼脂糖柱(10×2.5cm)。用1个柱体积(CV)的相同缓冲液和5CV缓冲液A加0.2％N-辛基-β-D-吡喃葡萄糖苷(β-OG，Applichem)洗涤柱子。将His-tag结合的蛋白质用缓冲液A中的线性梯度的(到0.5M)咪唑洗脱。收集的级分在SDS-PAGE上筛选。合并含有hOSC的级分并用微孔过滤设备浓缩。浓缩的蛋白溶液加到用缓冲液A加0.8％β-OG平衡的Fractogel EMD Biosec大小排阻层析柱(1.6cm×60cm，Merck)上。通过SDS-PAGE分析级分显示纯度约95％。为了保存，将合并的级分在液氮中迅速冷冻并保存在-80℃。
为了溶解，试用了两种不同去污剂β-OG(0.8％)和Triton X-100(0.2％)。通过Ni-NTA-螯合柱后所得产率估计有效性。Triton X-100得到最好的产率。孵育时间也非常关键，大于1小时的孵育导致一种主要污染结合到亲和柱上。在31400xg(JA20，Beckman)离心后将上清液加到Ni-NTA-螯合柱。在洗涤和洗脱步骤试验β-OG和Triton X-100的不同组合，两者一起地，单独地，高于和低于CMC(对β-OG而言)。在洗涤和洗脱缓冲液中有0.2％β-OG得到最佳结果，其低于CMC(0.6％)。用Ni-螯合柱纯化得到具有hOSC的两个峰，一个直接在去污剂转换，即将Triton X-100换成β-OG后，第二个峰在正常咪唑梯度中。得到两个单独的库。在去污剂交换库里发现最大量的蛋白(100mg)，而在咪唑梯度中只洗脱出四分之一。N-末端测序表明在两个库中蛋白都失去了其N-末端甲硫氨酸。而且，质谱分析清楚显示出质量差异，这相应于1个组氨酸。因此，在去污剂交换后直接洗脱的OSC在C末端只有5个组氨酸，并且可能没有具6个组氨酸的OSC结合得紧。溶解的hOSC使用低于CMC的去污剂浓度(对于β-OG为0.2％)足够稳定1或2天。两个库分开处理。对两个库进行大小排阻层析后，通过SDS-PAGE(

图1)判断，蛋白的纯度至95％。蛋白在补加10％甘油的凝胶过滤缓冲液中是稳定的并且可以保存在-80℃至少半年不显著损失活性。从两个库中得到的蛋白质总量为105mg，这相应于每克生物量2mg hOSC。
hOSC野生型的纯化将从1升培养物中收获的表达hOSC野生型(SEQ ID NO5)的细胞(45g)重悬于缓冲液A中并如对具有6xHis-tag的变体所描述的使细胞破裂。在31000xg离心(JA 20，Beckman)30分钟后，将上清液进一步在超速离心机(Centrikon T-2070，Kontron)中以40000xrpm离心60分钟以分离膜级分。将沉淀重悬于补加0.2％Triton X-100的缓冲液A中并再次以40000xrpm离心60分钟。将上清液加到用重悬缓冲液平衡的TMAE-Fractogel(1.6cm×13cm，Merck)上。用6个柱体积(CV)补加0.2％β-OG的缓冲液A洗涤柱子并用相同缓冲液中至0.5M的氯化钠线性梯度洗脱。收集的级分在SDS-PAGE上筛选。合并含有hOSC的级分。作为最后步骤，按照对具有His-tag的变体所描述的进行凝胶过滤。
对于没有标签的hOSC，作为第一个富集步骤，分离含有hOSC作为主要组分的膜级分。对于选择性溶解过程，试验了三种不同的去污剂β-OG(0.8％)、Triton X-100(0.2％)和辛基-POE(0.6％)。通过SDS-PAGE估计量和纯度。用Triton X-100再次得到了产率和纯度的最佳结果。溶解的蛋白典型地结合阴离子交换剂，通过用5个柱体积洗涤柱子使去污剂换成β-OG，并且在约100mM氯化钠处洗脱出单个峰。蛋白再次缺少N-末端甲硫氨酸并且通过SDS-PAGE判断其纯度至90％。其稳定性和保存条件和具有标签的变体相同。
实施例2表达的hOSC的鉴定分析方法纯化hOSC，之后在10-20％Tricine SDS聚丙烯酰胺梯度凝胶上电泳。按照Bradford(Bradford，M.M.(1976)，一种利用蛋白质-染料结合原理定量微克量级蛋白的快速而灵敏的方法，Anal Biochem 72，248-254，1976)测定蛋白浓度，或者通过吸收光谱法(Pace，C.N.，Vajdos，F.，Fee，L.，Grimsley，G.&Gray，T.(1995).怎样测量和预测蛋白的摩尔吸光系数.Protein Sci.4，2411-2423.)，使用280nm理论分子消光系数181240M-1cm-1测定纯蛋白的浓度。
OSC的活性按照用于肝脏微粒体制品所描述的方法(Lenhart，A.等(2003)，氧化鲨烯环化酶抑制剂与同源鲨烯-何帕烯环化酶的结合结构和潜能，JMed Chem 46，2083-92，2003)，进行活性分析和IC50测定。仅仅通过加入去污剂改变了反应缓冲液。IC50测量的最终条件为30μM[14C]R，S-MOS溶于反应缓冲液(50mM磷酸钠缓冲液(pH7.4)，1mM EDTA，1mM二硫苏糖醇和0.8％β-OG)，含有0.5％白蛋白，乙醇＜2％，总体积为80μl。重组hOSC的蛋白浓度为0.4μg/ml。为试验不同去污剂对活性的影响，在存在0.2％β-OG，0.6％C8E5，0.1％Triton X-100或0.016％DDM时蛋白浓度在0.1到10μg/ml之间变动。作为阳性对照，使用无去污剂的终浓度为0.4mg/ml的人肝脏微粒体(Lenhart，A.等(2003)，氧化鲨烯环化酶抑制剂与同源鲨烯-何帕烯环化酶的结合结构和潜能，J Med Chem46，2083-92，2003)。
在分析缓冲液(DDM，C8E5，β-OG或Triton X-100；都高于CMC)中用不同去污剂试验重组酶的活性。用Triton X-100观察到最高活性，然后是C8E5和β-OG(图2)。虽然DDM浓度是CMC的两倍，但是观察到与低于CMC的β-OG类似的低活性。为比较人肝脏微粒体来源的OSC和重组酶，更精确地，针对RO-488071在0.8％β-OG存在下确定IC50值，RO-488071为一种熟知的OSC抑制剂(Morand，O.H.等(1997)，Ro48-8.071，一种降低仓鼠、松鼠猴和小种猪血浆胆固醇的新的2，3-氧化鲨烯羊毛固醇环化酶抑制剂与辛伐他汀的比较，J Lipid Res 38，373-90)。重组人OSC的IC50值为8.0nM，而肝脏微粒体来源的OSC的IC50值为6.5nM。
OSC的寡聚状态使用Optima XL-I分析性超速离心机(Beckman-Coulter，Palo Alto)在20℃以各种速度进行沉降平衡(SE)，样品体积为100μl。起始蛋白浓度为0.2-0.6mg/ml，溶于20mM Tris-HCl pH7.5，5％甘油，1mM TCEP，0.8％β-OG和1mM MgCl2(缓冲液B)。20小时后280nm记录平衡吸收谱。又2小时后的记录证明达到平衡。
用Beckman软件包和Schuck程序DISCREEQ(Schuck P.(1994).用Optima XL-A分析离心同时进行射线和波长分析，Progr.Colloid Polym.Sci.94，1-13)进行吸收谱的分析。用PAAR密度计型号DMA4500(AntonPaar，Graz，奥地利)测量通过加入蔗糖而与去污剂密度匹配的或不匹配的所有溶剂密度。它们在表2中给出。在没有蛋白的缓冲液中从单独运行的SE评价去污剂密度，此时对非吸收去污剂使用干涉检测光学。根据Edsall(Edsall JT，在Cohn EJ，Edsall JT(编)(1943)《Protein，amino acidsand peptides as ions and dipolar ions》中，Reinhold，New York，370-381)从氨基酸序列计算的微分比容为0.729cm3/g。因为加入蔗糖，必须考虑蛋白的水合状态。可以通过完全水合蛋白vbar＝0.787cm3/g(Rickwood D.和Chambers J.A.A.(1984)，《Centrifugation，a practical approach》，第二版，D.Rickwood编辑，IRL出版社，牛津)和上述非水合蛋白的平均值给出vbar的估计值。然而对于vbar＝0.766cm3/g，得到最佳拟合(fit)。从而使用该值。对于LDAO，密度0.914g/cm3没有进行补偿。用各种数量的结合的胶束通过模型分析这些谱。用1个结合的胶束得到最佳拟合。从而，在假定vbar为0.791cm3/g下进行分析。类似地，用vbar＝0.746cm3/g分析具有cmc下的β-OG的非密度匹配样品。该值相应于10个结合的β-OG。
纯化的OSC在SDS-PAGE上显示出一条蛋白带，相应于分子量为80kDa，这比预测分子量85,690Da低一点。该蛋白的质谱分析得到分子量为85,700Da。该结果与理论预测的没有N-末端甲硫氨酸的hOSC-tag的分子量基本相同，说明该蛋白没有被糖基化或者翻译后修饰。
用分析型超速离心机通过沉降平衡实验鉴定纯化的hOSC-tag。根据Lustig等建立的方法(Lustig，A.，Engel，A.，Tsiotis，G.，Landau，E.M.&Baschong，W.(2000).通过沉降平衡在蔗糖或尼可登调节的水合去污剂胶束密度下测定膜蛋白的分子量.Biochim Biophys Acta 1464，199-206)将溶剂密度调节到去污剂密度。在β-OG浓度为0.8％时，蛋白是分子量为86kDA的单体。发现野生型hOSC具有相同的寡聚状态。在浓度为0.2％时，观察到由分子量高于400kDA的聚集体引起的大量丧失以及在二聚体、三聚体和四聚体之间的广泛分布(表2)。由于分析性超离心使得可以详细描绘寡聚状态，该方法也用于试验其他去污剂对寡聚状态的影响。在缓冲液中存在0.2％Triton X-100时，蛋白也是单体和单分散的。在C8E5浓度为0.6％(CMC 0.2％)时也发现相同情况，但是50％的蛋白作为大聚集体(＞400kDa)而丢失。在像LDAO和DDM的去污剂中，蛋白是以单体、二聚体和四聚体的混合物形式多分散的，并且50％以上的蛋白作为大聚集物丧失了。该效果对于DDM更明显。与活性测量的相关性表明具有单体hOSC的去污剂具有最高活性(图2)。
实施例3结晶为了结晶，在含有0.3％(w/v)β-OG的缓冲液中将hOSC浓缩到约10mg/ml。结晶前将去污剂加到高于CMC的浓度。对于抑制剂复合物共晶体，结晶前将蛋白与5mM[4-[6-(烯丙基-甲基-氨基)-己氧基]-2-氟-苯基]-(4-溴-苯基)-甲酮延胡索酸盐(图6)孵育过夜。通过混合等体积的蛋白溶液和由25％PEG 3350、0.4M乙酸铵、0.1M Tris，pH8.5，10％(w/v)乙二醇组成的储存液(reservoir solution)，在悬滴中于室温下生长晶体。一旦起始结晶条件建立便用接种结晶方法生长晶体。
通过混合等体积的含有0.1M Tris pH8.5中的30％(w/v)PEG 4000、0.2M乙酸钠的储存液与含有2.4％(w/v)β-OG的蛋白溶液在室温得到起始的hOSC晶体。所得β-OG浓度大大高于结晶条件下的β-OG饱和浓度，并且β-OG晶体在结晶装置中和蛋白晶体一起生长(图4A)。
只要pH为约8.5并且沉淀剂是PEG，那么可以在多种条件下得到hOSC的晶体。hOSC在PEG浓度为20％到30％(w/v)PEG3350和PEG4000下结晶。加入100mM到400mM盐，优选乙酸铵或乙酸钠有助于得到晶体。但是hOSC可以在没有盐和存在所有下面的盐的情况下结晶乙酸铵、乙酸钠、酒石酸钠和酒石酸钾、丙二酸钠、琥珀酸钠和柠檬酸钠、氯化镁、硫酸铵、氯化钠、硫酸锂。在存在浓度为5％到15％(w/v)的小的两亲性有机分子甘油、乙二醇或蔗糖时可以生长适于结构测定的大的、非双晶的hOSC晶体。这些分子具有影响β-OG的相行为的两亲性特征，避免结晶滴中的相分离。这些分子也增加溶液粘度，从而减缓晶体生长。此外，它们作为抗冻剂起作用。
膜蛋白的良好衍射晶体常生长在接近浊点(cloud point)——此时没有观察到相分离——的结晶条件下，(Rosenow，M.，等(2001)，两亲物修饰膜蛋白结晶中所用去污剂溶液的性质，Acta Crystallogr D BiolCrystallogr 57，925-7 2001)。通过改变乙酸盐浓度和加入小的两亲性分子使β-OG的相行为受到调节，以避免结晶液滴中相分离。使用动态光散射(dynamic light scatter)通过估计聚集状态来预测可溶蛋白的结晶性质。单分散蛋白更可能结晶。(D’Arcy，A.(1994)，结晶蛋白-一种合理的方法？Acta Cryst D50，469-471)。对于膜蛋白hOSC，通过分析性超速离心评价蛋白的聚集被证明是一种预测可结晶性的工具。与通过分析性超速离心得到的聚集结果一致，hOSC只有用高于CMC浓度的去污剂β-OG单分散溶解时才可能结晶。
实施例4X射线数据采集和分析将晶体安放在环中并在液氮中快速冷却。以自制光源用CuKα照射收集几种晶体取向的衍射图像以便检测只在显微镜下不易看到的晶体位错(Crystal disorder)。选择非双晶的晶体用于收集完整数据集，用Swiss光源(Villigen，瑞士)于120K在光线PX6A下通过同步照射收集。晶体在光线X06A下衍射，分辨率高达1.8_。晶体属于空间群C2221，晶胞大小约190_，202_和62_。用DENZO(Otwinowski，Z.&Minor，W.M.振动模式下采集的X射线衍生数据的处理.Methods Enzymol.276，307-326(1997))和XDS(Kabsch，W.(1993)对来自具有初始未知对称和晶胞常数的晶体的旋转衍射数据的自动处理J.appl.Cryst.26，795-800)处理数据。
结构测定和精化(refinement)结构通过分子置换用CCP4(Collaborative Computational Project，Number 4，The CCP4 SuitePrograms for Protein Crystallography ActaCryst.D 50，760-763(1994))程序MOLREP(A.Vagin，A.Teplyakov，MOLREP分子置换的自动程序，J.Appl.Cryst.30，1022-1025.(1997))，使用鲨烯何帕烯环化酶(Wendt，K.U.，Lenhart A.，Schulz，G.E.在2.0_分辨率时的膜蛋白鲨烯何帕烯环化酶的结构，J.Mol.Biol.286，175-187，(1999)，pdb-entry 2sqc)作为查询模型来解析并用程序ARP/wARP(Morris，Perrakis& Lamzin，Acta Cryst.D58968-975，2002)自动重建和精化。在将配体加到模型并用分子图像程序MOLOC(Gerber P.R.，MüllerK.，The MOLOC program with the MAB force field，J.Comput.AidedMol.Design 9，251-268(1995))辅助人为重建蛋白后，将其用REFMAC(Murshudow，G.N.，Vagin，A.A.& Dodson，E.J.通过最大可能性方法精化大分子结构，Acta Crystallogr.D53，240-255(1997))精化。
hOSC的单体结构hOSC作为典型的膜蛋白在没有去污剂时是不溶的，因此必须加入去污剂以得到稳定和具有活性的酶。在存在β-OG胶束时生长hOSC晶体并通过分子置换解析结构。与我们在去污剂溶解的hOSC上得到的凝胶过滤结果和分析型超离心数据(表2)一致的是，hOSC在晶体中以单体存在。这和凝胶过滤实验中观察到的来自大鼠肝脏制品的OSC的二聚体行为(Kusano等(1991)Chem Pharm Bull 39，239-241)是不同的。通过应用空间群C2221的结晶学二倍轴(twofold axes)产生的hOSC分子对具有指向不同方向的膜部分。因此，它们可能不是生物学二聚体。OSC由两个(α/α)桶结构域组成，这两个结构域通过环和四个较小的β结构相连。结构域1为(α/α)6桶，而插入到结构域1中的结构域2含有一个(α/α)桶，其似乎由结构域1的(α/α)6桶演变而来但缺失了一些螺旋(Wendt，K.U.，Poralla，K.，Schulz，G.E.，一种鲨烯环化酶的结构和功能，Science 277，1811-1815(1997))。两个桶结构域的所有内部螺旋的氨基末端都指向分子的中心。使螺旋和N-末端区与它们的β-结构连结的环填充两个桶结构域之间的空间并包围出位于hOSC分子中心的大活性位点腔(图3)。结构域2携带额外的螺旋，其形成疏水平台的一部分，该疏水平台是单中心膜蛋白hOSC的膜插入点。
位于外部桶环的一些螺旋的C-末端的5个QW-序列基元(Poralla等(1994)Trends Biochem.Sci.19，157)采取具有Q和W的堆叠侧链的构象，该构象在太古代同源鲨烯何帕烯环化酶的结构中也观察到。它们通过氢键将外部螺旋和内部螺旋连接起来并且被认为有助于环化酶的热力学稳定性(Wendt，K.U.，Poralla，K.，Schulz，G.E.(1997)，一种鲨烯环化酶的结构与功能，Science 277，1811-1815)。
底物结合口袋大活性位点腔位于OSC分子中心在两个(α/α)桶结构域之间。其被环和7个β折叠包围。其衬里大部分是疏水和芳香残基。该腔从“顶部”的催化性Asp455向下延伸至将到达疏水平台的酶表面的通道。由残基Trp192、Cys233、Tyr237、Ile524和M525的侧链造成的缢缩限制将该通道与腔分开(图5)。在该限制位点中Tyr237的通道封阻侧链可以通过采用另一种构象而允许底物穿过通道到达活性位点腔。该通道被认为是底物摄取通道，允许疏水性底物在非极性环境中达到hOSC的催化性残基(Wendt&Schulz，Science 1998)。存在另一个从结构域1的亲水表面到达活性位点腔的通道。残基Phe391、Phe591和Glu459的侧链将该通道与活性位点腔分开。
抑制剂结合在起始的2.2_(Fo-Fc)-电子密度图中共结晶的抑制剂完全被限制在3σ等值线水平。其结合在活性位点腔中。抑制剂的烯丙基-氨基基团通过氢键结合催化性天冬氨酸Asp455，Asp455负责通过质子化氧化鲨烯起始环化反应。在质子化的氨基氮和Asp455羧酸基团之间有一个带电氢键，距离2.9_。该氨基基团也与一些芳香残基相互作用，这些芳香残基被认为通过稳定带正电的早期高能中间体而起始环化反应(图5B)。氨基N与Trp387和Trp581存在阳离子-π相互作用，距离4.7_至5.4_。与Tyr98和Tyr704羟基基团的距离(7.7_和6.4_)太远而不能用于介电稳定此正电荷。
烯丙基-氨基和苯甲酮基团之间的烷基间隔没有完全伸展，表现为氨基N原子到醚氧原子间的距离只有6.3_。胺的氮和苯甲酮的羰基之间的距离对抑制剂潜能有影响，距离为10.7_时有最低的IC50值(Jolidon，S.，Polak-Wyss，A.，Hartmann，P.G.，和Guerry，P.(1993).2，3-氧化鲨烯-羊毛固醇环化酶抗真菌药物设计中的一种吸引人的靶标，《RecentAdvances in the Chemistry of Anti-infective Agents》，P.H.Bentley，ed.(Cambridge，U.K.Royal Soc.Chemistry).Pp.223-233)。在抑制剂[4-[6-(烯丙基-甲基-氨基)-己氧基]-2-氟-苯基]-(4-溴-苯基)-甲酮延胡索酸盐的hOSC复合物中，该距离为12.0_，这和环氧化物的氧与原固醇(protosterol)阳离子的碳正离子位置之间的距离十分相当。
抑制剂的苯甲酮部分的苯基基团与蛋白产生了几个芳香性相互作用。末端的溴苯基基团与Trp192(3.6_)和Trp230(3.7_)有边对面的相互作用，和Phe521(4.6_)有面对面的相互作用。氟苯基基团堆叠在Phe696(3.7_)和His232咪唑环(3.1_)之间(图5C)。His232不在苯甲酮羰基基团的氢键距离之内。苯甲酮羰基和水分子形成氢键，而该水分子又和Ile338的酰胺N结合。该水介导的相互作用和观察资料——含有芳基-X-芳基基团的化合物的IC50不依赖于接头X的氢键受体性质(Brown等，1999，J.Med.Chem 42，1306-1311)——一致。抑制剂的末端溴基团指向底物摄取通道，与通道限制位点的残基Ile524、Tyr237、Ser518和Ser518相互作用。
如结合抑制剂的hOSC和游离hOSC之间的0.32_ rmsd-Cα所证实的那样，抑制剂结合时hOSC不动。抑制剂适应于腔的几何形状而呈现一种与在和同系物SHC的复合物中不同的构象(Lenhart，A.，Weihofen，W.A.；Pleschke，A.E.和Schulz，G.E.；Chemistry & Biology，2002，Vol.9，639-645，2002)。
与hOSC不同，细菌鲨烯何帕烯环化酶(SHC)是二聚体的(Wendt，K.U.，Poralla，K.，Schulz，G.E.，(1997)一种鲨烯环化酶的结构和功能，Science 277，1811-1815)。OSC和SHC具有共同的环化酶链折叠。当应用4.5_截断值时结构的交叠产生了550对α碳原子，具有rmsd为1.76_(pdb entry 2sqc)。当只有94个空间保守且顺次的残基交叠时，rmsd-Cα为0.85_。
OSC与SHC比较具有70个额外的N末端氨基酸残基，这些残基形成小的结构基元，它折叠成膜结合位点对面的两个(α/α)桶结构域之间的区域。该N-末端结构基元与延伸的环427-431一起可以使两结构域间形成配体结合口袋之大部分的环加固。hOSC中两个(α/α)桶结构域的相对取向和SHC中的略微不同。
hOSC的结构域1中的(α/α)桶比SHC中的宽，横跨内部螺旋环的Cα距离从1.2_增加到15.8_(A536 Cα到W714 Cα间的距离)。桶变宽可能是位于桶的C-末端侧指向桶中心的OSC侧链(例如F391，W590和W714)较大的原因。
实施例5通过与hOSC晶体结构对接(dock)鉴定新的OSC抑制剂方法(对接)用对接软件FRED(OpenEye Scientific Software)进行对接计算。对接过程中的第一步是形状拟合程序(对接算法)，其将一组配体构象异构体输入并相对于“撞击图”(bump map)(一种具有真实值的Boolean格子(Boolean grid)，配体原子可潜在地放置于其中)检验它们。将与蛋白碰撞或者远离活性位点的取向抛弃。将初步的对接方案进一步针对给定的药效团特性进行检验，抛弃任何不满足药效团的位姿(pose)。然后将通过形状拟合程序的位姿通过得分函数滤器(scoring function filter)。在OSC的对接过程中，用两种不同的得分函数滤器ChemScore和PLP进行两次对接。每轮对接返回5000个位姿，从两轮中产生了共同化合物(～500)的共有列表。在打分过程中将用于羟基基团旋转异构体优化、刚体优化和扭矩优化的Flag设为“真”值。通过滤除不想要的亚结构(例如苄脒)和通过除去高度类似的化合物(最大化结构多样性)进一步减少共有列表中的化合物数目。最后将138种化合物(0.03％来自实际上筛选过的Roche化合物文库)送去筛选。
受体制备从OSC的X射线结构中除去水分子并向结构中加入极性氢原子(Gerber P.R.，Müller K.(1995)，MAB力场的MOLOC程序，J.Comput.Aided Mol.Design 9，251-268)。
结合位点限定OSC抑制剂反式-甲基-{4-[5-(甲基-丙基-氨基)-戊-1-炔基]-环己基}-氨基甲酸4-氯-苯基酯在FRED中用于结合位点的限定。FRED在给定(X射线，手工建模)配体周围建立一个长方形盒子并允许通过“-addbox”Flag增加盒子的大小。反式-甲基-{4-[5-(甲基-丙基-氨基)-戊-1-炔基]-环己基}-氨基甲酸4-氯-苯基酯周围的盒子增加0.5埃。
化合物文库制备对于化合物，从Roche化合物文库通过OMEGA(OpenEye ScientificSoftware)产生了二进制格式的多构象异构体文库(multiconformerlibraries)。对OMEGA的默认设置的修改为(i)抛弃与全局最小值(global minimum)有＞5.0kcal/mol能量差异的构象异构体(GP_ENERGY_WINDOW)，(ii)输出的构象异构体的最大数目400(GP_NUM_OUTPUT_CONFS)和(iii)从最后的集合中低能量选择(非随机选择)构象异构体(GP_SELECT_RANDOM false)。
结果在如实施例2描述的使用肝脏微粒体制品的活性分析中20种化合物在1μM时显示出适度的抑制作用，并在50μM再次试验。7种化合物在50μM显示出＞20％的抑制作用。2种化合物在50μM显示出68％和75％的良好抑制作用。这些化合物代表结构新颖的一类OSC抑制剂并推翻了碱性氮原子是OSC抑制所必需的假说。其他化合物在50μM显示出35％、38％和57％的抑制作用。
OSC用于药物设计(与SHC的活性位点差异)在OSC和SHC所属的环化酶家族成员之间，疏水通道顶部的芳香残基(在图7中以星号指出)是高度保守的。芳香侧链被认为对鲨烯(SHC)和2，3-氧化鲨烯(OSC)的环化级联中通过π-阳离子相互作用稳定阳离子是重要的。疏水通道顶部的芳香残基的高度保守性和推测的两种环化酶的类推A-环形成环化机制很相符。然而在环化酶催化的过程的起始上存在差异，SHC需要通过鲨烯的C＝C双键的质子化起始环化级联(烯烃质子化)而OSC的催化通过2，3-氧化鲨烯的环氧化物质子化起始。
对于SHC催化中的烯烃质子化，需要强的布朗斯台德酸(Bronstedacid)。基于结晶数据推测催化性Asp的酸性通过与质子化His的氢键结合(图8)以及有序化的水分子而增强。Asp:His对的酸性似乎足够质子化鲨烯。相反，对于OSC，缺少SHC中His位置的足够活化的残基(SHC中的His可与OSC中的Ala交叠)。因为环氧化物比烯烃更容易质子化，推测OSC中单独的天冬氨酸即可能足够用于起始。然而，实验表明2，3-氧化鲨烯在中性介质中十分稳定，并且在冰醋酸中在室温下可保持稳定约1天。OSC的结晶数据现在揭示在OSC家族中保守的近侧半胱氨酸对催化性Asp的活化是重要的。两种天冬氨酸的活化的不同导致催化性残基中侧链定向的完全不同(图8)。侧链定向的不同为基于结构的药物设计提供了重要信息。图7和8中所示实例(只显示了[4-[6-(烯丙基-甲基-氨基)-己氧基]-2-氟-苯基]-(4-溴-苯基)-甲酮延胡索酸盐的片段)表明，SHC中催化性Asp的侧链定向不适于和配体的质子化胺形成氢键，[4-[6-(烯丙基-甲基-氨基)-己氧基]-2-氟-苯基]-(4-溴-苯基)-甲酮延胡索酸盐-SHC复合物中的正电荷通过疏水通道底部Trp侧链的π-阳离子相互作用而稳定。相反，催化性Asp的侧链使两个氧原子指向疏水通道。从而，形成与[4-[6-(烯丙基-甲基-氨基)-己氧基]-2-氟-苯基]-(4-溴-苯基)-甲酮延胡索酸盐的有效氢键相互作用。因此，对于结构指导的药物设计，抑制剂在结合位点中向后移(氮原子位置相差1.9_)并导致抑制剂的长度最佳地填充疏水通道。此外，通过直接氢键结合催化性Asp的可能性为基于结构设计出有效抑制OSC并避免抑制剂中具有通常导致代谢不稳定的碱性胺官能团的新型结构提供了可能。
在疏水通道的后部，两种环化酶的芳香残基数目减少，而环化酶间的序列和结构差异增加。通过抑制剂[4-[6-(烯丙基-甲基-氨基)-己氧基]-2-氟-苯基]-(4-溴-苯基)-甲酮延胡索酸盐的两种复合物的结构比较表明，对于SHC，氟化芳香环正好位于两个芳香侧链之间。由于在OSC中缺乏用于类似的π相互作用的残基，还因为催化性Asp侧链取向导致移入结合口袋，OSC中抑制剂的氟化芳香环更靠近疏水通道的中部以获得与近侧Phe侧链的π相互作用。因此，对基于结构的药物设计，用SHC的结构信息不能为OSC优化抑制剂的链长和π系统的位置。
两种环化酶的活性位点间的其它差异在疏水通道的末端以及参与形成疏水通道入口的残基中是明显的。OSC的结合位点在后面部分较短并且容纳水分子。从而，为了避免空间冲突和得到与OSC的结合亲和性，OSC抑制剂应该比相应的SHC抑制剂短。接近结合位点入口部分的芳香残基和它们的定位的差异要求OSC抑制剂取代基([4-[6-(烯丙基-甲基-氨基)-己氧基]-2-氟-苯基]-(4-溴-苯基)-甲酮延胡索酸盐中的p-C4H4-Cl)有不同的立体和电子性质以便提高结合性质。
表1数据采集和精化统计学

1圆括号中的值指最高的分辨率箱(highest resolution bin)。
2Rmerge＝∑|I-<I>|/∑I，其中I为强度.
3Rcryst＝∑|Fo-<Fc>|/∑Fo，其中Fo是观测到的结构因子幅度，Fc是计算的结构因子幅度。
4Rfree是根据在结构精化中省略的总数据的5％所计算的。
5用PROCHECK(Laskowski，R.A.，MacArthur，M.W.，Moss，D.S.&Thornton，J.M.(1993).
PROCHECK检查蛋白结构的立体化学性质的程序。J.Appl.Crystallogr.26，283-291)所计算的。
表2用分析型超离心得到的寡聚体分布以14000rpm平衡时在上清液中发现的寡聚体分布。多数情况下，溶剂密度与去污剂密度匹配(见文章)。损失相当于分子量＞400kDa的沉淀聚集物的量。起始蛋白浓度为缓冲液B中0.2-0.6mg/ml。
密度损失单体 二聚体三聚体四聚体去污剂_ρ溶剂[％][％] [％] [％] [％][g/cm3]β-OG(0.2％) 1.018 55 0 711118低于CMCβ-OG(0.8％) 1.092 6 100 - -DDM(0.016％) 1.152 42 7023- 7Triton X-1001.052 n.d.100 - - -(0.2％)LDAO(0.06％) 1.102 42 946 - -C8E5(0.6％)1.015 51 100 - - -_＝如果不另外指明，两倍CMCn.d.未测定。由于Triton X-100在280nm的高吸收，用干涉光学进行的鉴定不允许可靠地估计可能的沉淀损失表3人OSC结构坐标表3列出了通过X射线衍射从OSC晶体得到的OSC的原子结构坐标。
标题 环化酶COMPND MOL_ID1COMPND 分子人氧化鲨烯环化酶COMPND2别名羊毛固醇合成酶COMPND3在巴斯德毕赤酵母中生产的COMPND5MOL_ID2COMPND6分子烯丙基-甲基-氨基-己氧基-氟苯基-溴苯基-甲酮-延胡索酸盐COMPND5MOL_ID3COMPND6分子β-辛基-葡萄糖苷COMPND5MOL_ID4COMPND6分子未鉴定的脂类，作为油酸建模的SOURCE MOL_ID1SOURCE2生物体_科学用名HOMO SAPIENS；SOURCE3生物体_俗名人；SOURCE4表达系统SF9KEYWDS 异常脂血症，膜蛋白，胆固醇EXPDTA X射线衍射REMARK3REMARK3精化REMARK3程序REFNAC 5.1.24REMARK3作者MURSHUDOV，VAGIN，DODSONREMARK3REMARK3精化目标最大可能性REMARK3REMARK3精化中所用数据REMARK3分辨率范围高(埃) 2.20REMARK3分辨率范围低(埃) 141.42REMARK3数据截断(SIGMA(F))无REMARK3范围的完全性(％) 97.66REMARK3反射数目 56956REMARK3REMARK3与精化中所用数据的拟合REMARK3交叉证明方法 全部REMARK3自由R值试验设定选择随机REMARK3R值(工作+试验设定) 0.19210REMARK3R值(工作设定) 0.19034REMARK3自由R值0.22522REMARK3自由R值试验设定大小(％)5.1REMARK3自由R值试验设定数 3033REMARK3REMARK3在最高分辨率箱中拟合(FIT IN THE HIGHEST RESOLUTION BIN.)REMARK3所用箱总数 20REMARK3箱分辨率范围高 2.204REMARK3箱分辨率范围低 2.261REMARK3箱中反射(工作设定) 3984REMARK3箱R值(工作设定)0.262REMARK3箱自由R值设定数194REMARK3箱自由R值 0.302REMARK3REMARK3精化中所用非氢原子数REMARK3所有原子6223REMARK3REMARK3B值REMARK3从WILSON曲线 (A**2)NULLREMARK3平均B值 (总的，A**2) 38.138REMARK3总的各向异性E值REMARK3B11(A**2) 1.76REMARK3B22(A**2) -2.88REMARK3B33(A**2) 1.12REMARK3B12(A**2) 0.00REMARK3B13(A**2) 0.00REMARK3B23(A**2) 0.00REMARK3REMARK3估计的总坐标误REMARK3基于R值的ESU(A)0.189REMARK3基于自由R值的ESU(A)0.168REMARK3基于最大可能性的ESU (A) 0.113REMARK3基于最大可能性的B值ESU (A**2) 4.459REMARK3REMARK3相关系数REMARK3相关系数FO-FC 0.954
REMARK3相关系数FO-FC自由 0.935REMARK3REMARK3与理想值的RMS差 数 RMS权重REMARK3精化的原子的键长 (A) 6079； 0.011；0.021；REMARK3其他键长 (A)； 5392； 0.005；0.020REMARK3精化的原子的键角 (度数) 8242； 1.195；1.946；REMARK3其他键角 (度数)； 12503； 0.858；3.000REMARK3扭角，1期 (度数) 726； 5.908；5.000REMARK3手性中心限制 (A**3) 850； 0.074；0.200REMARK3精化的原子的一般平面 (A) 6787； 0.007；0.020REMARK3其他一般平面 (A) 1337； 0.014；0.020REMARK3精化的原子的非键接触 (A) 1416； 0.211；0.200REMARK3其他非键接触 (A) 6226； 0.233；0.200REMARK3其他非键扭转 (A) 3369； 0.083；0.200REMARK3精化的原子的H键(X...Y)(A) 294； 0.168；0.200REMARK3精化的原子的对称VDW (A) 9； 0.155；0.200REMARK3其他对称VDW (A) 62；0.250；0.200REMARK3精化的原子的对称H键 (A) 8； 0.184；0.200REMARK3REMARK3各向同性热因子限制 数 RMS权重REMARK3精化的原子的主链键(A**2) 3609； 0.518；1.500REMARK3精化的原子的主链角(A**2) 5776； 1.005；2.000REMARK3精化的原子的侧链键(A**2) 2470； 1.442；3.000REMARK3精化的原子的侧链角(A**2) 2466； 2.410；4.500REMARK3REMARK3NCS限制统计学REMARK3NCS组数NULLREMARK3REMARK3REMARK3TLS细节REMARK3TLS组数NULLREMARK3REMARK3REMARK3大体积溶剂建模(BULK SOLVENT MODELLING)REMARK3所用方法具有MASK的BABINET模型REMARK3用于MASK计算的参数REMARK3VDW试探半径(VDW PROBE RADIUS)1.40REMARK3离子试探半径(ION PROBE RADIUS) 0.80REMARK3收缩半径(SHRINKAGE RADIUS) 0.80REMARK3REMARK3其他精化注释REMARK3在安放位置(RIDING POSITION)已经加入氢REMARK3CRYST1 189.915 202.424 62.638 90.00 90.00 90.00 C 2 2 21SCALE1 0.005266 0.000000 0.0000000.00000SCALE2 0.000000 0.004940 0.0000000.00000SCALE3 0.000000 0.000000 0.0159650.00000Cl.1 23 4 56 7 89 10Atom Atom AaAa No. X Y ZOCCBNo.type type factorATOM1 N CYS A648.875 73.274 -11.558 1.00 63.27NATOM3 CACYS A648.743 74.608 -12.219 1.00 63.19CATOM5 CBCYS A649.297 74.534 -13.635 1.00 63.50CATOM8 SGCYS A649.040 76.046 -14.571 1.00 66.28SATOM9 C CYS A647.282 75.078 -12.261 1.00 62.07CATOM10 O CYS A646.981 76.237 -11.954 1.00 62.03OATOM13 N LEU A746.389 74.170 -12.655 1.00 60.73NATOM15 CALEU A744.948 74.425 -12.625 1.00 59.77CATOM17 CBLEU A744.208 73.439 -13.540 1.00 59.81CATOM20 CGLEU A744.463 73.598 -15.049 1.00 60.68CATOM22 CD1 LEU A743.776 72.476 -15.830 1.00 60.95CATOM26 CD2 LEU A744.010 74.964 -15.560 1.00 60.74CATOM30 C LEU A744.379 74.344 -11.201 1.00 58.45CATOM31 O LEU A743.241 74.750 -10.956 1.00 57.87OATOM32 N ARG A845.191 73.828 -10.281 1.00 57.00NATOM34 CAARG A844.791 73.551 -8.908 1.00 56.01CATOM36 CBARG A844.585 72.045 -8.771 1.00 55.86CATOM39 CGARG A843.447 71.627 -7.889 1.00 55.91CATOM42 CDARG A843.395 70.120 -7.646 1.00 54.90CATOM45 NEARG A842.628 69.422 -8.676 1.00 54.67NATOM47 CZARG A841.364 69.016 -8.553 1.00 54.04CATOM48 NH1 ARG A840.658 69.255 -7.455 1.00 53.81NATOM51 NH2 ARG A840.792 68.373 -9.557 1.00 54.55N
ATOM 54 CARG A8 45.891 74.007-7.9381.00 55.08 CATOM 55 OARG A8 47.053 73.633-8.1071.00 55.04 OATOM 56 NARG A9 45.536 74.816-6.9431.00 53.94 NATOM 58 CA ARG A9 46.459 75.154-5.8601.00 53.31 CATOM 60 CB ARG A9 46.439 76.652-5.5511.00 53.44 CATOM 63 CG ARG A9 47.616 77.086-4.6781.00 54.19 CATOM 66 CD ARG A9 47.466 78.446-3.9911.00 55.61 CATOM 69 NE ARG A9 46.929 79.478-4.8721.00 56.68 NATOM 71 CZ ARG A9 47.575 80.016-5.9021.00 58.89 CATOM 72 NH1 ARG A9 48.838 79.674-6.1851.00 60.95 NATOM 75 NH2 ARG A9 46.960 80.936-6.6461.00 57.40 NATOM 78 CARG A9 46.163 74.355-4.5851.00 52.55 CATOM 79 OARG A9 45.245 74.687-3.8131.00 52.17 OATOM 80 NARG A10 46.946 73.299-4.3851.00 51.51 NATOM 82 CA ARG A10 46.942 72.541-3.1401.00 51.17 CATOM 84 CB ARG A10 47.380 71.102-3.3931.00 50.94 CATOM 87 CG ARG A10 46.609 70.350-4.4591.00 50.38 CATOM 90 CD ARG A10 47.078 68.913-4.5891.00 49.62 CATOM 93 NE ARG A10 46.534 68.242-5.7601.00 48.74 NATOM 95 CZ ARG A10 45.302 67.756-5.8501.00 48.34 CATOM 96 NH1 ARG A10 44.441 67.840-4.8431.00 49.50 NATOM 99 NH2 ARG A10 44.927 67.178-6.9701.00 47.60 NATOM 102 CARG A10 47.915 73.177-2.1391.00 50.90 CATOM 103 OARG A10 48.836 73.884-2.5321.00 50.30 OATOM 104 NGLY A11 47.710 72.911-0.8521.00 50.93 NATOM 106 CA GLY A11 48.684 73.2590.169 1.00 50.94 CATOM 109 CGLY A11 48.283 74.3081.187 1.00 51.00 CATOM 110 OGLY A11 49.143 74.9551.785 1.00 50.71 OATOM 111 NGLY A12 46.976 74.4671.396 1.00 51.24 NATOM 113 CA GLY A12 46.448 75.2142.536 1.00 50.50 CATOM 116 CGLY A12 46.639 76.6772.284 1.00 50.10 CATOM 117 OGLY A12 47.034 77.0441.159 1.00 50.91 OATOM 118 NPRO A13 46.358 77.5113.283 1.00 48.75 NATOM 119 CA PRO A13 46.677 78.9393.183 1.00 48.11 CATOM 121 CB PRO A13 46.129 79.5184.490 1.00 47.90 CATOM 124 CG PRO A13 45.138 78.5024.969 1.00 48.40 CATOM 127 CD PRO A13 45.693 77.1804.557 1.00 48.77 CATOM 130 CPRO A13 48.186 79.1813.047 1.00 47.41 CATOM 131 OPRO A13 48.955 78.5793.790 1.00 47.04 OATOM 132 NTYR A14 48.572 80.0182.081 1.00 46.78 NATOM 134 CA TYR A14 49.950 80.4921.903 1.00 46.26 CATOM 136 CB TYR A14 50.377 80.3890.423 1.00 46.29 CATOM 139 CG TYR A14 50.493 78.961-0.0651.00 46.10 CATOM 140 CD1 TYR A14 51.633 78.2080.205 1.00 45.80 CATOM 142 CE1 TYR A14 51.742 76.890-0.2181.00 45.79 CATOM 144 CZ TYR A14 50.695 76.306-0.9221.00 44.78 CATOM 145 OH TYR A14 50.815 75.003-1.3371.00 42.08 OATOM 147 CE2 TYR A14 49.547 77.037-1.2101.00 44.93 CATOM 149 CD2 TYR A14 49.450 78.355-0.7741.00 45.35 CATOM 151 CTYR A14 50.062 81.9432.365 1.00 45.80 CATOM 152 OTYR A14 49.105 82.7132.255 1.00 44.97 OATOM 153 NLYS A15 51.230 82.3042.896 1.00 45.52 NATOM 155 CA LYS A15 51.562 83.6963.171 1.00 45.31 CATOM 157 CB LYS A15 52.927 83.8033.862 1.00 45.72 CATOM 160 CG LYS A15 52.912 83.3475.318 1.00 47.49 CATOM 163 CD LYS A15 54.316 83.3215.943 1.00 50.03 CATOM 166 CE LYS A15 54.371 82.3647.147 1.00 51.31 CATOM 169 NZ LYS A15 55.714 82.3477.809 1.00 54.07 NATOM 173 CLYS A15 51.582 84.4761.855 1.00 44.53 CATOM 174 OLYS A15 52.224 84.0550.893 1.00 43.92 OATOM 175 NTHR A16 50.822 85.5671.806 1.00 43.87 NATOM 177 CA THR A16 50.868 86.5150.693 1.00 43.27 CATOM 179 CB THR A16 49.567 86.464-0.1691.00 43.23 CATOM 181 OG1 THR A16 48.420 86.8030.631 1.00 41.87 OATOM 183 CG2 THR A16 49.291 85.055-0.6901.00 42.67 CATOM 187 CTHR A16 51.039 87.9241.241 1.00 43.26 CATOM 188 OTHR A16 50.924 88.1572.445 1.00 42.42 OATOM 189 NGLU A17 51.265 88.8670.336 1.00 43.96 NATOM 191 CA GLU A17 51.468 90.2630.710 1.00 44.60 CATOM 193 CB GLU A17 51.903 91.093-0.5071.00 45.38 CATOM 196 CG GLU A17 52.930 92.172-0.1741.00 49.02 CATOM 199 CD GLU A17 53.130 93.166-1.3151.00 54.29 CATOM 200 OE1 GLU A17 54.119 93.014-2.0861.00 58.03 OATOM 201 OE2 GLU A17 52.295 94.098-1.4391.00 56.04 OATOM 202 CGLU A17 50.190 90.8461.332 1.00 43.80 OATOM 203 OGLU A17 49.123 90.7590.730 1.00 43.79 OATOM 204 NPRO A18 50.294 91.4142.534 1.00 43.29 N
ATOM205 CA PRO A 18 49.13191.9993.209 1.00 42.89 CATOM207 CB PRO A 18 49.60592.1454.656 1.00 43.33 CATOM210 CG PRO A 18 51.11992.2584.569 1.00 43.38 CATOM213 CD PRO A 18 51.52491.5183.351 1.00 43.12 CATOM216 C PRO A 18 48.69193.3542.631 1.00 42.66 CATOM217 O PRO A 18 49.43793.9941.881 1.00 42.56 OATOM218 N ALA A 19 47.46793.7622.965 1.00 42.06 NATOM220 CA ALA A 19 46.91595.0532.542 1.00 41.27 CATOM222 CB ALA A 19 45.55994.8461.895 1.00 41.32 CATOM226 C ALA A 19 46.79596.0143.725 1.00 40.93 CATOM227 O ALA A 19 46.28697.1203.574 1.00 41.52 OATOM228 N THR A 20 47.25495.5694.898 1.00 40.04 NATOM230 CA THR A 20 47.28296.3596.118 1.00 39.08 CATOM232 CB THR A 20 46.08595.9737.021 1.00 39.17 CATOM234 OG1 THR A 20 46.05194.5477.198 1.00 36.91 OATOM236 CG2 THR A 20 44.74296.3176.380 1.00 39.04 CATOM240 C THR A 20 48.57896.0586.889 1.00 39.23 CATOM241 O THR A 20 49.34895.1786.517 1.00 39.08 OATOM242 N ASP A 21 48.79396.7907.975 1.00 39.53 NATOM244 CA ASP A 21 49.90196.5398.902 1.00 39.89 CATOM246 CB ASP A 21 50.15897.8019.742 1.00 40.10 CATOM249 CG ASP A 21 51.43297.72210.578 1.00 41.32 CATOM250 OD1 ASP A 21 52.02896.63410.717 1.00 42.88 OATOM251 OD2 ASP A 21 51.90698.72411.151 1.00 43.90 OATOM252 C ASP A 21 49.55395.3619.814 1.00 39.54 CATOM253 O ASP A 21 48.77395.50510.752 1.00 39.38 OATOM254 N LEU A 22 50.13494.1989.541 1.00 39.50 NATOM256 CA LEU A 22 49.82092.98610.304 1.00 39.27 CATOM258 CB LEU A 22 50.48891.7619.675 1.00 38.83 CATOM261 CG LEU A 22 49.97091.3788.291 1.00 37.91 CATOM263 CD1 LEU A 22 50.76090.2087.727 1.00 37.61 CATOM267 CD2 LEU A 22 48.47291.0668.312 1.00 37.11 CATOM271 C LEU A 22 50.17793.10311.786 1.00 39.67 CATOM272 O LEU A 22 49.58892.42012.617 1.00 39.61 OATOM273 N GLY A 23 51.12693.98712.105 1.00 40.22 NATOM275 CA GLY A 23 51.49894.30613.479 1.00 40.02 CATOM278 C GLY A 23 50.40894.92914.330 1.00 40.42 CATOM279 O GLY A 23 50.51794.91715.556 1.00 39.99 OATOM280 N ARG A 24 49.36095.46313.699 1.00 40.95 NATOM282 CA ARG A 24 48.23096.06014.415 1.00 41.44 CATOM284 CB ARG A 24 47.80997.36513.732 1.00 42.43 CATOM287 CG ARG A 24 48.88998.44613.657 1.00 45.43 CATOM290 CD ARG A 24 48.43199.69412.889 1.00 49.59 CATOM293 NE ARG A 24 49.272100.866 13.171 1.00 54.18 NATOM295 CZ ARG A 24 49.000101.846 14.048 1.00 56.67 CATOM296 NH1 ARG A 24 47.893101.841 14.785 1.00 57.74 NATOM299 NH2 ARG A 24 49.862102.851 14.193 1.00 57.63 NATOM302 C ARG A 24 46.98395.16914.564 1.00 40.85 CATOM303 O ARG A 24 46.02295.58315.208 1.00 40.41 OATOM304 N TRP A 25 46.96793.96713.985 1.00 40.23 NATOM306 CA TRP A 25 45.79993.07814.153 1.00 39.82 CATOM308 CB TRP A 25 45.68692.04313.024 1.00 39.32 CATOM311 CG TRP A 25 45.11992.60211.754 1.00 38.72 CATOM312 CD1 TRP A 25 45.81693.03810.679 1.00 36.67 CATOM314 NE1 TRP A 25 44.95693.4849.709 1.00 36.18 NATOM316 CE2 TRP A 25 43.66993.34110.145 1.00 37.08 CATOM317 CD2 TRP A 25 43.72992.78611.432 1.00 36.89 CATOM318 CE3 TRP A 25 42.53292.54912.110 1.00 36.56 CATOM320 CZ3 TRP A 25 41.32992.85811.478 1.00 36.75 CATOM322 CH2 TRP A 25 41.30693.40710.205 1.00 36.33 CATOM324 CZ2 TRP A 25 42.46193.6539.511 1.00 37.00 CATOM326 C TRP A 25 45.85592.37015.500 1.00 39.65 CATOM327 O TRP A 25 46.90991.90215.909 1.00 39.69 OATOM328 N ARG A 26 44.71192.30216.168 1.00 39.83 NATOM330 CA ARG A 26 44.56291.65317.461 1.00 40.56 CATOM332 CB ARG A 26 44.27592.69118.554 1.00 40.71 CATOM335 CG ARG A 26 45.41293.67618.829 1.00 41.57 CATOM338 CD ARG A 26 46.64093.06819.468 1.00 42.79 CATOM341 NE ARG A 26 47.71794.04819.652 1.00 44.02 NATOM343 CZ ARG A 26 48.53094.49018.687 1.00 44.35 CATOM344 NH1 ARG A 26 48.42194.05017.437 1.00 44.80 NATOM347 NH2 ARG A 26 49.46595.38518.976 1.00 44.37 NATOM350 C ARG A 26 43.41190.63017.438 1.00 41.19 CATOM351 O ARG A 26 42.33790.88916.885 1.00 40.52 OATOM352 N LEU A 27 43.65289.47218.048 1.00 41.95 NATOM354 CA LEU A 27 42.63588.45318.239 1.00 42.82 CATOM356 CB LEU A 27 43.21787.06517.924 1.00 43.19 C
ATOM359 CG LEU A 2742.832 85.832 18.768 1.00 45.43 CATOM361 CD1 LEU A 2742.901 84.525 17.955 1.00 44.61 CATOM365 CD2 LUE A 2743.731 85.716 20.045 1.00 48.65 CATOM369 CLEU A 2742.128 88.525 19.669 1.00 43.08 CATOM370 OLEU A 2742.916 88.512 20.609 1.00 42.92 OATOM371 NASN A 2840.812 88.617 19.828 1.00 43.68 NATOM373 CA ASN A 2840.193 88.587 21.148 1.00 44.57 CATOM375 CB ASN A 2839.468 89.901 21.443 1.00 45.01 CATOM378 CG ASN A 2840.451 91.058 21.723 1.00 47.38 CATOM379 OD1 ASN A 2841.015 91.152 22.817 1.00 49.56 OATOM380 ND2 ASN A 2840.661 91.907 20.723 1.00 48.10 NATOM383 CASN A 2839.270 87.378 21.318 1.00 44.32 CATOM384 OASN A 2838.488 87.029 20.428 1.00 44.07 OATOM385 NCYS A 2939.392 86.749 22.481 1.00 44.15 NATOM387 CA CYS A 2938.733 85.497 22.780 1.00 44.35 CATOM389 CB CYS A 2939.770 84.362 22.855 1.00 44.36 CATOM392 SG CYS A 2940.600 83.947 21.277 1.00 42.66 SATOM393 CCYS A 2937.981 85.633 24.101 1.00 44.78 CATOM394 OCYS A 2938.553 86.058 25.096 1.00 44.66 OATOM395 NGLU A 3036.688 85.308 24.088 1.00 45.25 NATOM397 CA GLU A 3035.867 85.288 25.296 1.00 45.61 CATOM399 CB GLU A 3035.093 86.610 25.479 1.00 46.60 CATOM402 CG GLU A 3034.937 87.016 26.951 1.00 50.54 CATOM405 CD GLU A 3033.624 87.699 27.271 1.00 5552 CATOM406 OE1 GLU A 3033.185 88.572 26.452 1.00 59.15 OATOM407 OE2 GLU A 3033.027 87.404 28.335 1.00 57.83 OATOM408 CGLU A 3034.897 84.124 25.201 1.00 44.59 CATOM409 OGLU A 3034.031 84.117 24.333 1.00 43.65 OATOM410 NARG A 3135.056 83.141 26.084 1.00 44.05 NATOM412 CA ARG A 3134.233 81.923 26.070 1.00 44.23 CATOM414 CB ARG A 3132.809 82.242 26.566 1.00 44.92 CATOM417 CG ARG A 3132.727 82.318 28.084 1.00 48.76 CATOM420 CD ARG A 3131.512 83.032 28.634 1.00 53.33 CATOM423 NE ARG A 3131.537 83.029 30.104 1.00 58.16 NATOM425 CZ ARG A 3131.025 82.074 30.897 1.00 60.23 CATOM426 NH1 ARG A 3130.423 80.994 30.390 1.00 60.97 NATOM429 NH2 ARG A 3131.128 82.199 32.218 1.00 61.16 NATOM432 CARG A 3134.202 81.202 24.702 1.00 42.79 CATOM433 OARG A 3133.179 80.639 24.301 1.00 42.73 OATOM434 NGLY A 3235.326 81.219 23.991 1.00 41.36 NATOM436 CA GLY A 3235.447 80.515 22.722 1.00 40.52 CATOM439 CGLY A 3235.324 81.427 21.516 1.00 39.75 CATOM440 OGLY A 3235.935 81.173 20.480 1.00 39.55 OATOM441 NARG A 3334.539 82.489 21.670 1.00 39.05 NATOM443 CA ARG A 3334.318 83.492 20.636 1.00 38.88 CATOM445 CB ARG A 3333.397 84.588 21.182 1.00 38.65 CATOM448 CG ARG A 3332.933 85.577 20.146 1.00 38.98 CATOM451 CD ARG A 3332.338 86.855 20.726 1.00 39.07 CATOM454 NE ARG A 3331.540 87.545 19.718 1.00 40.08 NATOM456 CZ ARG A 3330.909 88.697 19.915 1.00 42.60 CATOM457 NH1 ARG A 3330.982 89.326 21.084 1.00 43.69 NATOM460 NH2 ARG A 3330.192 89.231 18.934 1.00 43.25 NATOM463 CARG A 3335.610 84.137 20.108 1.00 38.51 CATOM464 OARG A 3336.372 84.713 20.868 1.00 38.22 OATOM465 NGLN A 3435.800 84.072 18.793 1.00 38.21 NATOM467 CA GLN A 3436.984 84.598 18.130 1.00 38.37 CATOM469 CB GLN A 3437.646 83.496 17.296 1.00 38.43 CATOM472 CG GLN A 3438.090 82.301 18.147 1.00 38.13 CATOM475 CD GLN A 3438.433 81.062 17.353 1.00 38.00 CATOM476 OE1 GLN A 3438.012 80.884 16.192 1.00 37.56 OATOM477 NE2 GLN A 3439.198 80.189 17.975 1.00 35.08 NATOM480 CGLN A 3436.626 85.813 17.260 1.00 38.56 CATOM481 OGLN A 3435.865 85.699 16.299 1.00 38.55 OATOM482 NTHR A 3537.198 86.962 17.606 1.00 38.70 NATOM484 CA THR A 3536.945 88.225 16.922 1.00 39.71 CATOM486 CB THR A 3535.967 89.066 17.770 1.00 39.64 CATOM488 OG1 THR A 3534.613 88.668 17.468 1.00 42.48 OATOM490 CG2 THR A 3536.002 90.506 17.393 1.00 41.10 CATOM494 CTHR A 3538.260 88.988 16.676 1.00 39.35 CATOM495 OTHR A 3539.069 89.136 17.585 1.00 39.02 OATOM496 NTRP A 3638.451 89.469 15.449 1.00 38.92 NATOM498 CA TRP A 3639.643 90.235 15.086 1.00 38.98 CATOM500 CB TRP A 3640.174 89.770 13.742 1.00 38.52 CATOM503 CG TRP A 3640.814 88.428 13.752 1.00 38.29 CATOM504 CD1 TRP A 3640.215 87.230 13.476 1.00 37.52 CATOM506 NE1 TRP A 3641.135 86.214 13.561 1.00 37.68 NATOM508 CE2 TRP A 3642.356 86.737 13.889 1.00 37.29 C
ATOM509 CD2 TRP A 3642.194 88.134 14.011 1.00 37.24 CATOM510 CE3 TRP A 3643.309 88.907 14.348 1.00 36.98 CATOM512 CZ3 TRP A 3644.536 88.273 14.541 1.00 37.31 CATOM514 CH2 TRP A 3644.660 86.887 14.405 1.00 36.90 CATOM516 CZ2 TRP A 3643.583 86.103 14.086 1.00 37.78 CATOM518 C TRP A 3639.374 91.750 15.034 1.00 39.58 CATOM519 O TRP A 3638.337 92.193 14.526 1.00 38.49 OATOM520 N THR A 3740.322 92.519 15.575 1.00 40.83 NATOM522 CA THR A 3740.288 93.987 15.599 1.00 41.82 CATOM524 CB THR A 3740.221 94.514 17.047 1.00 42.04 CATOM526 OG1 THR A 3739.027 94.065 17.689 1.00 42.42 OATOM528 CG2 THR A 3740.079 96.046 17.074 1.00 42.33 CATOM532 C THRA 37 41.565 94.540 14.973 1.00 42.90 CATOM533 O THR A 3742.655 94.036 15.241 1.00 42.57 OATOM534 N TYR A 3841.428 95.594 14.173 1.00 44.01 NATOM536 CA TYR A 3842.566 96.324 13.619 1.00 45.28 CATOM538 CB TYR A 3842.298 96.663 12.155 1.00 45.02 CATOM541 CG TYR A 3843.487 97.216 11.414 1.00 44.83 CATOM542 CD1 TYR A 3843.444 98.475 10.819 1.00 44.50 CATOM544 CE1 TYR A 3844.536 98.976 10.132 1.00 44.74 CATOM546 CZ TYR A 3845.677 98.211 10.032 1.00 44.25 CATOM547 OH TYR A 3846.769 98.670 9.355 1.00 42.16 OATOM549 CE2 TYR A 3845.732 96.959 10.607 1.00 44.36 CATOM551 CD2 TYR A 3844.647 96.471 11.285 1.00 44.69 CATOM553 C TYR A 3842.794 97.611 14.411 1.00 46.64 CATOM554 O TYR A 3842.079 98.581 14.223 1.00 46.46 OATOM555 N LEU A 3943.775 97.600 15.308 1.00 48.65 NATOM557 CA LEU A 3944.137 98.777 16.109 1.00 50.76 CATOM559 CB LEU A 3945.355 98.477 16.987 1.00 50.69 CATOM562 CG LEU A 3945.141 98.180 18.467 1.00 51.46 CATOM564 CD1 LEU A 3943.901 97.337 18.731 1.00 51.83 CATOM568 CD2 LEU A 3946.399 97.502 19.020 1.00 52.09 CATOM572 C LEU A 3944.451 99.991 15.238 1.00 52.54 CATOM573 O LEU A 3945.156 99.869 14.242 1.00 52.77 OATOM574 N GLN A 4043.924 101.150 15.619 1.00 55.07 NATOM576 CA GLN A 4044.076 102.379 14.826 1.00 57.27 CATOM578 CB GLN A 4042.721 103.066 14.616 1.00 57.20 CATOM581 CG GLN A 4041.670 102.179 13.933 1.00 57.93 CATOM584 CD GLN A 4041.489 102.485 12.457 1.00 58.30 CATOM585 OE1 GLN A 4042.457 102.540 11.701 1.00 58.13 OATOM586 NE2 GLN A 4040.244 102.682 12.045 1.00 58.75 NATOM589 C GLN A 4045.069 103.367 15.440 1.00 59.12 CATOM590 O GLN A 4045.760 104.072 14.698 1.00 59.18 OATOM591 N ASP A 4145.147 103.421 16.773 1.00 61.54 NATOM593 CA ASP A 4146.047 104.378 17.441 1.00 63.64 CATOM595 CB ASP A 4145.365 105.058 18.647 1.00 63.80 CATOM598 CG ASP A 4145.430 106.593 18.567 1.00 65.90 CATOM599 OD1 ASP A 4146.526 107.121 18.257 1.00 66.81 OATOM600 OD2 ASP A 4144.435 107.349 18.759 1.00 68.44 OATOM601 C ASP A 4147.424 103.820 17.841 1.00 64.75 CATOM602 O ASP A 4148.326 104.603 18.158 1.00 65.32 OATOM603 N GLY A 4247.586 102.494 17.818 1.00 65.92 NATOM605 CA GLY A 4248.893 101.864 17.986 1.00 66.81 CATOM608 C GLY A 4249.378 101.818 19.427 1.00 67.51 CATOM609 O GLY A 4249.374 100.747 20.047 1.00 67.69 OATOM610 N GLY A 4349.825 102.970 19.943 1.00 68.03 NATOM612 CA GLY A 4350.135 103.132 21.358 1.00 68.27 CATOM615 C GLY A 4348.879 103.353 22.185 1.00 68.45 CATOM616 O GLY A 4348.659 104.437 22.736 1.00 68.72 OATOM617 N GLY A 4448.053 102.312 22.287 1.00 68.46 NATOM619 CA GLY A 4446.768 102.396 22.956 1.00 68.18 CATOM622 C GLY A 4446.014 101.080 22.833 1.00 67.93 CATOM623 O GLY A 4445.001 100.995 22.128 1.00 68.14 OATOM624 N GLY A 4546.529 100.052 23.509 1.00 67.19 NATOM626 CA GLY A 4545.921 98.730 23.513 1.00 66.32 CATOM629 C GLY A 4546.733 97.775 24.376 1.00 65.37 CATOM630 O GLY A 4546.822 97.948 25.599 1.00 65.79 OATOM631 N GLY A 4647.313 96.760 23.740 1.00 63.77 NATOM633 CA GLY A 4648.295 95.894 24.382 1.00 62.10 CATOM636 C GLY A 4649.279 95.385 23.347 1.00 60.54 CATOM637 O GLY A 4649.103 95.627 22.156 1.00 60.34 OATOM638 N GLU A 4750.312 94.682 23.796 1.00 58.64 NATOM640 CA GLU A 4751.322 94.124 22.897 1.00 57.13 CATOM642 CB GLU A 4752.584 93.734 23.685 1.00 57.75 CATOM645 CG GLU A 4753.881 94.364 23.184 1.00 59.84 CATOM648 CD GLU A 4754.956 94.408 24.263 1.00 62.93 CATOM649 OE1 GLU A 4755.132 95.484 24.880 1.00 64.93 O
ATOM650 OE2 GLU A 4755.622 93.366 24.506 1.00 64.05 OATOM651 C GLU A 4750.786 92.893 22.145 1.00 54.90 CATOM652 O GLU A 4750.015 92.104 22.702 1.00 54.49 OATOM653 N GLN A 4851.205 92.751 20.884 1.00 52.17 NATOM655 CA GLN A 4850.888 91.585 20.050 1.00 50.10 CATOM657 CB GLN A 4851.339 91.817 18.596 1.00 49.56 CATOM660 CG GLN A 4850.722 90.833 17.598 1.00 48.22 CATOM663 CD GLN A 4850.900 91.254 16.141 1.00 46.39 CATOM664 OE1 GLN A 4852.019 91.344 15.660 1.00 44.06 OATOM665 NE2 GLN A 4849.789 91.451 15.449 1.00 45.02 NATOM668 C GLN A 4851.522 90.294 20.598 1.00 48.75 CATOM669 O GLN A 4852.698 90.288 20.967 1.00 48.73 OATOM670 N THR A 4950.737 89.215 20.639 1.00 46.76 NATOM672 CA THR A 4951.168 87.933 21.197 1.00 45.74 CATOM674 CB THR A 4949.990 87.189 21.891 1.00 45.63 CATOM676 OG1 THR A 4948.943 86.916 20.944 1.00 46.50 OATOM678 CG2 THR A 4949.324 88.049 22.943 1.00 45.15 CATOM682 C THR A 4951.755 87.023 20.128 1.00 44.59 CATOM683 O THR A 4951.686 87.322 18.934 1.00 44.32 OATOM684 N GLY A 5052.327 85.905 20.575 1.00 43.25 NATOM686 CA GLY A 5052.884 84.895 19.690 1.00 42.23 CATOM689 C GLY A 5051.819 84.192 18.868 1.00 41.23 CATOM690 O GLY A 5052.033 83.882 17.704 1.00 40.96 OATOM691 N LEU A 5150.675 83.936 19.493 1.00 40.42 NATOM693 CA LEU A 5149.515 83.349 18.839 1.00 39.88 CATOM695 CB LEU A 5148.342 83.257 19.831 1.00 40.02 CATOM698 CG LEU A 5147.112 82.412 19.451 1.00 41.16 CATOM700 CD1 LEU A 5146.047 82.482 20.544 1.00 40.77 CATOM704 CD2 LEU A 5146.500 82.801 18.146 1.00 42.81 CATOM708 C LEU A 5149.102 84.199 17.640 1.00 38.95 CATOM709 O LEU A 5148.885 83.683 16.553 1.00 38.36 OATOM710 N GLU A 5248.990 85.504 17.861 1.00 38.48 NATOM712 CA GLU A 5248.563 86.438 16.824 1.00 38.22 CATOM714 CB GLU A 5248.365 87.831 17.415 1.00 38.17 CATOM717 CG GLU A 5247.079 87.941 18.238 1.00 39.00 CATOM720 CD GLU A 5247.034 89.137 19.174 1.00 39.13 CATOM721 OE1 GLU A 5248.100 89.708 19.476 1.00 41.15 OATOM722 OE2 GLU A 5245.932 89.514 19.620 1.00 37.26 OATOM723 C GLU A 5249.557 86.444 15.671 1.00 37.67 CATOM724 O GLU A 5249.164 86.299 14.520 1.00 37.07 OATOM725 N ALA A 5350.847 86.558 15.993 1.00 37.61 NATOM727 CA ALA A 5351.906 86.491 14.984 1.00 37.08 CATOM729 CB ALA A 5353.306 86.668 15.619 1.00 37.34 CATOM733 C ALA A 5351.844 85.199 14.202 1.00 36.45 CATOM734 O ALA A 5352.005 85.214 12.990 1.00 36.12 OATOM735 N TYR A 5451.590 84.082 14.880 1.00 36.26 NATOM737 CA TYR A 5451.512 82.786 14.189 1.00 36.10 CATOM739 CB TYR A 5451.499 81.615 15.183 1.00 36.33 CATOM742 CG TYR A 5450.932 80.310 14.652 1.00 37.23 CATOM743 CD1 TYR A 5451.764 79.300 14.170 1.00 39.53 CATOM745 CE1 TYR A 5451.234 78.090 13.686 1.00 40.17 CATOM747 CZ TYR A 5449.853 77.898 13.706 1.00 40.51 CATOM748 OH TYR A 5449.283 76.730 13.232 1.00 41.45 OATOM750 CE2 TYR A 5449.022 78.890 14.176 1.00 39.96 CATOM752 CD2 TYR A 5449.558 80.080 14.652 1.00 39.07 CATOM754 C TYR A 5450.294 82.746 13.253 1.00 35.65 CATOM755 O TYR A 5450.409 82.299 12.119 1.00 34.44 OATOM756 N ALA A 5549.144 83.233 13.719 1.00 35.63 NATOM758 CA ALA A 5547.922 83.189 12.899 1.00 36.34 CATOM760 CB ALA A 5546.700 83.547 13.732 1.00 36.15 CATOM764 C ALA A 5547.997 84.086 11.646 1.00 36.47 CATOM765 O ALA A 5547.424 83.762 10.608 1.00 36.45 OATOM766 N LEU A 5648.724 85.192 11.763 1.00 37.29 NATOM768 CA LEU A 5648.820 86.204 10.717 1.00 37.81 CATOM770 CB LEU A 5649.014 87.584 11.348 1.00 37.89 CATOM773 CG LEU A 5647.895 88.075 12.274 1.00 37.70 CATOM775 CD1 LEU A 5648.356 89.244 13.133 1.00 37.12 CATOM779 CD2 LEU A 5646.689 88.471 11.461 1.00 37.53 CATOM783 C LEU A 5649.976 85.915 9.766 1.00 38.74 CATOM784 O LEU A 5650.088 86.526 8.694 1.00 38.55 OATOM785 N GLY A 5750.840 84.987 10.167 1.00 39.61 NATOM787 CA GLY A 5752.005 84.630 9.384 1.00 40.65 CATOM790 C GLY A 5753.185 85.569 9.546 1.00 41.44 CATOM791 O GLY A 5754.002 85.670 8.650 1.00 41.84 OATOM792 N LEU A 5853.264 86.284 10.659 1.00 42.70 NATOM794 CA LEU A 5854.471 87.039 10.974 1.00 43.90 CATOM796 CB LEU A 5854.174 88.193 11.939 1.00 44.09 C
ATOM799 CG LEU A 5853.352 89.355 11.354 1.00 45.35CATOM801 CD1 LEU A 5852.805 90.227 12.465 1.00 45.26CATOM805 CD2 LEU A 5854.171 90.196 10.357 1.00 45.61CATOM809 CLEU A 5855.543 86.109 11.559 1.00 44.72CATOM810 OLEU A 5855.259 84.988 11.997 1.00 44.45OATOM811 NASP A 5956.780 86.590 11.550 1.00 45.62NATOM813 CA ASP A 5957.897 85.881 12.160 1.00 46.43CATOM815 CB ASP A 5959.177 86.705 11.964 1.00 46.91CATOM818 CG ASP A 5960.386 86.051 12.584 1.00 48.51CATOM819 OD1 ASP A 5960.818 84.997 12.064 1.00 49.46OATOM820 OD2 ASP A 5960.950 86.512 13.595 1.00 51.96OATOM821 CASP A 5957.629 85.640 13.659 1.00 46.45CATOM822 OASP A 5957.324 86.578 14.396 1.00 46.14OATOM823 NTHR A 6057.719 84.378 14.095 1.00 46.88NATOM825 CA THR A 6057.511 84.037 15.505 1.00 47.22CATOM827 CB THR A 6056.531 82.862 15.638 1.00 47.14CATOM829 OG1 THR A 6057.031 81.732 14.911 1.00 46.98OATOM831 CG2 THR A 6055.170 83.191 14.998 1.00 47.25CATOM835 CTHR A 6058.791 83.694 16.292 1.00 47.81CATOM836 OTHR A 6058.695 83.240 17.426 1.00 47.60OATOM837 NLYS A 6159.972 83.909 15.721 1.00 48.62NATOM839 CA LYS A 6161.227 83.550 16.414 1.00 49.62CATOM841 CB LYS A 6162.434 83.792 15.493 1.00 50.12CATOM844 CG LYS A 6162.464 82.823 14.298 1.00 52.13CATOM847 CD LYS A 6163.835 82.728 13.621 1.00 55.45CATOM850 CE LYS A 6164.458 81.333 13.787 1.00 57.14CATOM853 NZ LYS A 6165.896 81.281 13.380 1.00 57.81NATOM857 CLYS A 6161.448 84.209 17.799 1.00 49.64CATOM858 OLYS A 6162.057 83.604 18.669 1.00 50.29OATOM859 NASN A 6260.939 85.419 18.013 1.00 49.83NATOM861 CA ASN A 6261.028 86.081 19.322 1.00 50.00CATOM863 CB ASN A 6260.746 87.591 19.202 1.00 50.33CATOM866 CG ASN A 6261.819 88.341 18.425 1.00 51.50CATOM867 OD1 ASN A 6262.966 87.890 18.313 1.00 52.28OATOM868 ND2 ASN A 6261.440 89.497 17.891 1.00 52.64NATOM871 CASN A 6260.088 85.511 20.391 1.00 49.73CATOM872 OASN A 6260.264 85.796 21.581 1.00 50.07OATOM873 NTYR A 6359.078 84.749 19.974 1.00 49.11NATOM875 CA TYR A 6358.135 84.118 20.897 1.00 48.52CATOM877 CB TYR A 6356.703 84.269 20.381 1.00 4 8.47CATOM880 CG TYR A 6356.293 85.676 19.996 1.00 48.98CATOM881 CD1 TYR A 6355.735 86.547 20.935 1.00 48.61CATOM883 CE1 TYR A 6355.346 87.840 20.573 1.00 48.78CATOM885 CZ TYR A 6355.519 88.263 19.264 1.00 48.77CATOM886 OH TYR A 6355.141 89.526 18.896 1.00 49.38OATOM888 CE2 TYR A 6356.067 87.419 18.318 1.00 48.57CATOM890 CD2 TYR A 6356.445 86.129 18.684 1.00 47.93CATOM892 CTYR A 6358.420 82.623 21.115 1.00 48.10CATOM893 OTYR A 6358.374 82.147 22.247 1.00 48.15OATOM894 NPHE A 6458.683 81.898 20.025 1.00 47.37NATOM896 CA PHE A 6458.828 80.442 20.032 1.00 47.02CATOM898 CB PHR A 6457.703 79.776 19.218 1.00 46.82CATOM901 CG PHE A 6456.315 80.311 19.534 1.00 46.40CATOM902 CD1 PHE A 6455.914 80.530 20.850 1.00 46.27CATOM904 CE1 PHE A 6454.639 81.032 21.143 1.00 46.84CATOM906 CZ PHE A 6453.754 81.313 20.112 1.00 46.71CATOM908 CE2 PHE A 6454.143 81.102 18.793 1.00 46.42CATOM910 CD2 PHE A 6455.418 80.605 18.511 1.00 46.09CATOM912 CPHE A 6460.212 80.040 19.508 1.00 46.90CATOM913 OPHE A 6460.471 80.041 18.296 1.00 46.40OATOM914 NLYS A 6561.088 79.689 20.446 1.00 47.06NATOM916 CA LYS A 6562.496 79.440 20.160 1.00 47.61CATOM918 CB LYS A 6563.342 79.593 21.439 1.00 48.03CATOM921 CG LYS A 6563.196 78.427 22.442 1.00 49.86CATOM924 CD LYS A 6563.434 78.862 23.891 1.00 51.86CATOM927 CE LYS A 6562.947 77.812 24.882 1.00 53.23CATOM930 NZ LYS A 6563.287 78.194 26.287 1.00 54.44NATOM934 CLYS A 6562.719 78.057 19.567 1.00 47.36CATOM935 OLYS A 6561.850 77.169 19.640 1.00 46.36OATOM936 NASP A 6663.890 77.897 18.955 1.00 47.29NATOM938 CA ASP A 6664.331 76.604 18.469 1.00 47.29CATOM940 CB ASP A 6665.638 76.739 17.678 1.00 47.41CATOM943 CG ASP A 6665.437 77.402 16.316 1.00 48.18CATOM944 OD1 ASP A 6664.322 77.909 16.036 1.00 48.36OATOM945 OD2 ASP A 6666.342 77.450 15.456 1.00 49.36OATOM946 CASP A 6664.511 75.666 19.662 1.00 47.02CATOM947 OASP A 6665.029 76.066 20.701 1.00 47.03O
ATOM948 NLEU A 6764.040 74.436 19.507 1.00 46.79NATOM950 CA LEU A 6764.188 73.397 20.512 1.00 47.10CATOM952 CB LEU A 6762.838 72.738 20.799 1.00 47.14CATOM955 CG LEU A 6761.704 73.711 21.134 1.00 47.79CATOM957 CD1 LEU A 6760.353 72.986 21.259 1.00 47.83CATOM961 CD2 LEU A 6762.028 74.478 22.406 1.00 47.54CATOM965 CLEU A 6765.167 72.364 19.979 1.00 46.80CATOM966 OLEU A 6765.366 72.284 18.773 1.00 46.85OATOM967 NPRO A 6865.784 71.576 20.860 1.00 46.82NATOM968 CA PRO A 6866.713 70.521 20.418 1.00 46.54CATOM970 CB PRO A 6867.117 69.818 21.726 1.00 46.50CATOM973 CG PRO A 6866.851 70.811 22.793 1.00 47.22CATOM976 CD PRO A 6865.659 71.629 22.330 1.00 46.59CATOM979 CPRO A 6866.036 69.530 19.475 1.00 46.29CATOM980 OPRO A 6864.911 69.101 19.766 1.00 45.98OATOM981 NLYS A 6966.714 69.177 18.383 1.00 45.91NATOM983 CA LYS A 6966.163 68.273 17.377 1.00 46.05CATOM985 CB LYS A 6967.135 68.106 16.200 1.00 46.42CATOM988 CG LYS A 6966.598 67.243 15.062 1.00 47.47CATOM991 CD LYS A 6967.424 67.389 13.787 1.00 49.02CATOM994 CE LYS A 6966.534 67.629 12.570 1.00 50.71CATOM997 NZ LYS A 6965.914 66.370 12.065 1.00 51.12NATOM1001 CLYS A 6965.809 66.906 17.979 1.00 45.61CATOM1002 OLYS A 6966.565 66.342 18.775 1.00 45.23OATOM1003 NALA A 7064.651 66.388 17.567 1.00 45.02NATOM1005 CA ALA A 7064.087 65.167 18.127 1.00 44.24CATOM1007 CB ALA A 7062.575 65.280 18.180 1.00 44.18CATOM1011 CALA A 7064.479 63.961 17.287 1.00 43.67CATOM1012 OALA A 7064.300 63.962 16.079 1.00 43.86OATOM1013 NHIS A 7164.997 62.928 17.934 1.00 43.12NATOM1015 CA HIS A 7165.345 61.680 17.258 1.00 42.98CATOM1017 CB HIS A 7166.838 61.395 17.437 1.00 43.23CATOM1020 CG HIS A 7167.710 62.507 16.946 1.00 45.06CATOM1021 ND1 HIS A 7167.972 62.709 15.606 1.00 47.65NATOM1023 CE1 HIS A 7168.750 63.771 15.470 1.00 48.49CATOM1025 NE2 HIS A 7168.988 64.269 16.672 1.00 48.26NATOM1027 CD2 HIS A 7168.344 63.502 17.612 1.00 46.67CATOM1029 CHIS A 7164.528 60.501 17.759 1.00 41.93CATOM1030 OHIS A 7164.673 59.403 17.247 1.00 42.14OATOM1031 NTHR A 7263.688 60.728 18.767 1.00 40.68NATOM1033 CA THR A 7262.791 59.705 19.271 1.00 40.17CATOM1035 CB THR A 7263.198 59.276 20.696 1.00 40.16CATOM1037 OG1 THR A 7263.056 60.390 21.583 1.00 40.39OATOM1039 CG2 THR A 7264.694 58.894 20.783 1.00 40.55CATOM1043 CTHR A 7261.349 60.221 19.303 1.00 39.30CATOM1044 OTHR A 7261.104 61.420 19.209 1.00 38.78OATOM1045 NALA A 7360.409 59.297 19.469 1.00 38.56NATOM1047 CA ALA A 7358.988 59.628 19.531 1.00 38.50CATOM1049 CB ALA A 7358.148 58.361 19.604 1.00 38.06CATOM1053 CALA A 7358.712 60.522 20.728 1.00 38.59CATOM1054 OALA A 7357.954 61.479 20.618 1.00 39.32OATOM1055 NPHE A 7459.339 60.217 21.864 1.00 38.57NATOM1057 CA PHE A 7459.193 61.016 23.074 1.00 39.06CATOM1059 CB PHE A 7460.020 60.428 24.228 1.00 39.57CATOM1062 CG PHE A 7460.012 61.278 25.480 1.00 40.63CATOM1063 CD1 PHE A 7461.119 62.045 25.826 1.00 42.12CATOM1065 CE1 PHE A 7461.109 62.832 26.982 1.00 42.50CATOM1067 CZ PHE A 7459.993 62.856 27.794 1.00 41.93CATOM1069 CE2 PHE A 7458.883 62.100 27.467 1.00 42.67CATOM1071 CD2 PHE A 7458.895 61.313 26.310 1.00 42.60CATOM1073 CPHE A 7459.616 62.455 22.851 1.00 38.82CATOM1074 OPHE A 7458.883 63.354 23.195 1.00 38.70OATOM1075 NGLU A 7560.801 62.670 22.287 1.00 39.13NATOM1077 CA GLU A 7561.311 64.030 22.071 1.00 39.67CATOM1079 CB GLU A 7562.780 64.016 21.631 1.00 40.11CATOM1082 CG GLU A 7563.753 63.556 22.716 1.00 42.89CATOM1085 CD GLU A 7565.182 63.323 22.213 1.00 46.24CATOM1086 OE1 GLU A 7565.390 63.070 21.005 1.00 46.31OATOM1087 OE2 GLU A 7566.121 63.381 23.047 1.00 49.87OATOM1088 CGLU A 7560.464 64.782 21.042 1.00 39.04CATOM1089 OGLU A 7560.251 65.977 21.169 1.00 39.40OATOM1090 NGLY A 7659.970 64.080 20.034 1.00 38.42NATOM1092 CA GLY A 7659.144 64.707 19.015 1.00 37.84CATOM1095 CGLY A 7657.814 65.134 19.586 1.00 37.13CATOM1096 OGLY A 7657.331 66.226 19.296 1.00 37.03OATOM1097 NALA A 7757.232 64.281 20.424 1.00 36.73NATOM1099 CA ALA A 7755.970 64.595 21.099 1.00 35.99C
ATOM1101 CB ALA A 7755.399 63.364 21.799 1.00 35.77CATOM1105 CALA A 7756.138 65.737 22.077 1.00 35.71CATOM1106 OALA A 7755.314 66.646 22.101 1.00 35.57OATOM1107 NLEU A 7857.224 65.719 22.855 1.00 35.58NATOM1109 CA LEU A 7857.511 66.787 23.822 1.00 35.48CATOM1111 CB LEU A 7858.782 66.479 24.632 1.00 35.87CATOM1114 CG LEU A 7858.920 66.920 26.097 1.00 37.66CATOM1116 CD1 LEU A 7860.371 67.323 26.416 1.00 39.32CATOM1120 CD2 LEU A 7857.965 68.007 26.524 1.00 39.04CATOM1124 CLEU A 7857.684 68.154 23.150 1.00 35.00CATOM1125 OLEU A 7857.129 69.138 23.614 1.00 34.80OATOM1126 NASN A 7958.484 68.198 22.090 1.00 34.61NATOM1128 CA ASN A 7958.684 69.407 21.302 1.00 34.93CATOM1130 CB ASN A 7959.698 69.163 20.164 1.00 34.78CATOM1133 CG ASN A 7961.140 69.067 20.657 1.00 35.33CATOM1134 OD1 ASN A 7961.418 69.208 21.849 1.00 33.31OATOM1135 ND2 ASN A 7962.064 68.823 19.725 1.00 34.87NATOM1138 CASN A 7957.373 69.877 20.682 1.00 35.08CATOM1139 OASN A 7957.118 71.066 20.594 1.00 35.28OATOM1140 NGLY A 8056.555 68.928 20.243 1.00 35.35NATOM1142 CA GLY A 8055.269 69.242 19.648 1.00 35.62CATOM1145 CGLY A 8054.364 69.924 20.645 1.00 35.68CATOM1146 OGLY A 8053.719 70.898 20.302 1.00 35.52OATOM1147 NMET A 8154.350 69.421 21.881 1.00 36.44NATOM1149 CA MET A 8153.521 69.970 22.955 1.00 36.76CATOM1151 CB MET A 8153.456 69.002 24.141 1.00 37.12CATOM1154 CG MET A 8152.690 67.722 23.865 1.00 38.01CATOM1157 SD MET A 8152.336 66.765 25.385 1.00 40.43SATOM1158 CE MET A 8153.967 65.962 25.613 1.00 39.81CATOM1162 CMET A 8154.068 71.318 23.416 1.00 37.05CATOM1163 OMET A 8153.308 72.243 23.689 1.00 37.57OATOM1164 NTHR A 8255.385 71.452 23.476 1.00 37.11NATOM1166 CA THR A 8255.977 72.716 23.897 1.00 37.51CATOM1168 CB THR A 8257.513 72.601 24.024 1.00 37.88CATOM1170 OG1 THR A 8257.855 71.538 24.935 1.00 37.40OATOM1172 CG2 THR A 8258.100 73.872 24.660 1.00 37.68CATOM1176 CTHR A 8255.590 73.827 22.921 1.00 37.42CATOM1177 OTHR A 8255.261 74.934 23.338 1.00 37.93OATOM1178 NPHE A 8355.590 73.539 21.623 1.00 37.07NATOM1180 CA PHE A 8355.095 74.519 20.660 1.00 36.36CATOM1182 CB PHE A 8355.442 74.124 19.227 1.00 36.67CATOM1185 CG PHE A 8354.920 75.088 18.207 1.00 35.61CATOM1186 CD1 PHE A 8353.721 74.852 17.567 1.00 36.05CATOM1188 CE1 PHE A 8353.221 75.751 16.630 1.00 36.29CATOM1190 CZ PHE A 8353.926 76.901 16.330 1.00 36.95CATOM1192 CE2 PHE A 8355.121 77.160 16.975 1.00 37.47CATOM1194 CD2 PHE A 8355.617 76.250 17.913 1.00 36.74CATOM1196 CPHE A 8353.578 74.731 20.772 1.00 35.97CATOM1197 OPHE A 8353.118 75.862 20.889 1.00 36.54OATOM1198 NTYR A 8452.806 73.657 20.728 1.00 35.58NATOM1200 CA TYR A 8451.354 73.777 20.615 1.00 35.71CATOM1202 CB TYR A 8450.716 72.424 20.309 1.00 35.61CATOM1205 CG TYR A 8449.259 72.499 19.893 1.00 36.26CATOM1206 CD1 TYR A 8448.277 71.834 20.617 1.00 35.93CATOM1208 CE1 TYR A 8446.946 71.896 20.251 1.00 36.66CATOM1210 CZ TYR A 8446.571 72.625 19.134 1.00 38.18CATOM1211 OH TYR A 8445.242 72.674 18.782 1.00 37.41OATOM1213 CE2 TYR A 8447.528 73.299 18.381 1.00 37.21CATOM1215 CD2 TYR A 8448.866 73.232 18.766 1.00 37.42CATOM1217 CTYR A 8450.725 74.400 21.867 1.00 35.67CATOM1218 OTYR A 8449.783 75.173 21.765 1.00 35.60OATOM1219 NVAL A 8551.259 74.088 23.039 1.00 35.63NATOM1221 CA VAL A 8550.768 74.691 24.283 1.00 36.15CATOM1223 CB VAL A 8551.514 74.126 25.517 1.00 36.23CATOM1225 CG1 VAL A 8551.283 74.980 26.744 1.00 37.01CATOM1229 CG2 VAL A 8551.068 72.706 25.785 1.00 37.13CATOM1233 CVAL A 8550.875 76.225 24.229 1.00 36.06CATOM1234 OVAL A 8550.037 76.922 24.786 1.00 35.78OATOM1235 NGLY A 8651.894 76.737 23.536 1.00 35.88NATOM1237 CA GLY A 8652.067 78.170 23.370 1.00 35.87CATOM1240 CGLY A 8650.998 78.876 22.549 1.00 35.90CATOM1241 OGLY A 8650.914 80.096 22.600 1.00 36.18OATOM1242 NLEU A 8750.198 78.121 21.789 1.00 35.59NATOM1244 CA LEU A 8749.111 78.680 20.983 1.00 35.14CATOM1246 CB LEU A 8748.968 77.894 19.674 1.00 35.02CATOM1249 CG LEU A 8750.188 77.838 18.760 1.00 34.32CATOM1251 CD1 LEU A 8749.845 77.076 17.481 1.00 33.46C
ATOM1255 CD2 LEU A 8750.673 79.239 18.447 1.00 34.20CATOM1259 CLEU A 8747.758 78.718 21.689 1.00 35.37CATOM1260 OLEU A 8746.775 79.209 21.126 1.00 35.11OATOM1261 NGLN A 8847.694 78.199 22.909 1.00 35.84NATOM1263 CA GLN A 8846.441 78.204 23.668 1.00 36.41CATOM1265 CB GLN A 8846.630 77.469 24.997 1.00 35.92CATOM1268 CG GLN A 8845.338 77.057 25.685 1.00 36.03CATOM1271 CD GLN A 8845.587 76.381 27.028 1.00 37.09CATOM1272 OE1 GLN A 8846.690 76.486 27.602 1.00 36.69OATOM1273 NE2 GLN A 8844.579 75.674 27.537 1.00 34.68NATOM1276 CGLN A 8845.954 79.642 23.910 1.00 37.11CATOM1277 OGLN A 8846.740 80.496 24.268 1.00 37.58OATOM1278 NALA A 8944.671 79.904 23.689 1.00 38.02NATOM1280 CA ALA A 8944.075 81.200 24.014 1.00 39.52CATOM1282 CB ALA A 8942.702 81.354 23.350 1.00 39.24CATOM1286 CALA A 8943.946 81.340 25.528 1.00 40.54CATOM1287 OALA A 8944.113 80.364 26.243 1.00 40.90OATOM1288 NGLU A 9043.625 82.541 26.003 1.00 41.84NATOM1290 CA GLU A 9043.624 82.833 27.442 1.00 43.17CATOM1292 CB GLU A 9043.715 84.350 27.718 1.00 44.03CATOM1295 CG GLU A 9042.449 85.152 27.426 1.00 48.17CATOM1298 CD GLU A 9042.505 86.582 27.977 1.00 53.79CATOM1299 OE1 GLU A 9042.399 87.547 27.164 1.00 55.70OATOM1300 OE2 GLU A 9042.653 86.742 29.223 1.00 55.51OATOM1301 CGLU A 9042.429 82.231 28.167 1.00 42.74CATOM1302 OGLU A 9042.474 82.029 29.387 1.00 43.55OATOM1303 NASP A 9141.361 81.934 27.432 1.00 41.82NATOM1305 CA ASP A 9140.228 81.226 28.020 1.00 41.25CATOM1307 CB ASP A 9138.915 81.719 27.395 1.00 41.54CATOM1310 CG ASP A 9138.836 81.433 25.904 1.00 43.03CATOM1311 OD1 ASP A 9139.672 80.647 25.409 1.00 42.38OATOM1312 OD2 ASP A 9137.975 81.949 25.151 1.00 45.06OATOM1313 CASP A 9140.349 79.699 27.940 1.00 39.88CATOM1314 OASP A 9139.404 79.003 28.265 1.00 40.50OATOM1315 NGLY A 9241.484 79.182 27.466 1.00 38.60NATOM1317 CA GLY A 9241.783 77.758 27.501 1.00 37.73CATOM1320 CGLY A 9241.518 76.906 26.258 1.00 37.03CATOM1321 OGLY A 9241.954 75.756 26.200 1.00 36.22OATOM1322 NHIS A 9340.796 77.446 25.278 1.00 35.98NATOM1324 CA HIS A 9340.583 76.742 24.016 1.00 35.43CATOM1326 CB HIS A 9339.216 77.110 23.432 1.00 35.64CATOM1329 CG HIS A 9339.226 78.339 22.582 1.00 36.14CATOM1330 ND1 HIS A 9339.339 78.296 21.210 1.00 37.96NATOM1332 CE1 HIS A 9339.301 79.523 20.725 1.00 36.23CATOM1334 NE2 HIS A 9339.160 80.362 21.733 1.00 37.57NATOM1336 CD2 HIS A 9339.108 79.646 22.903 1.00 37.44CATOM1338 CHIS A 9341.710 77.051 23.018 1.00 34.60CATOM1339 OHIS A 9342.473 77.975 23.233 1.00 34.14OATOM1340 NTRP A 9441.805 76.261 21.949 1.00 33.78NATOM1342 CA TRP A 9442.758 76.486 20.863 1.00 33.50CATOM1344 CB TRP A 9443.478 75.173 20.490 1.00 33.27CATOM1347 CG TRP A 9444.678 74.869 21.334 1.00 33.17CATOM1348 CD1 TRP A 9445.973 75.194 21.061 1.00 34.53CATOM1350 NE1 TRP A 9446.796 74.746 22.069 1.00 34.84NATOM1352 CE2 TRP A 9446.038 74.113 23.015 1.00 32.97CATOM1353 CD2 TRP A 9444.699 74.176 22.591 1.00 32.10CATOM1354 CE3 TRP A 9443.716 73.591 23.395 1.00 32.14CATOM1356 CZ3 TRP A 9444.098 72.983 24.583 1.00 33.38CATOM1358 CH2 TRP A 9445.442 72.952 24.982 1.00 33.07CATOM1360 CZ2 TRP A 9446.422 73.506 24.214 1.00 33.45CATOM1362 CTRP A 9442.003 77.037 19.645 1.00 33.52CATOM1363 OTRP A 9440.886 76.610 19.360 1.00 33.20OATOM1364 NTHR A 9542.628 77.980 18.943 1.00 33.53NATOM1366 CA THR A 9542.022 78.695 17.830 1.00 33.25CATOM1368 CB THR A 9542.405 80.205 17.833 1.00 33.46CATOM1370 OG1 THR A 9543.768 80.383 17.407 1.00 33.78OATOM1372 CG2 THR A 9542.338 80.823 19.229 1.00 32.80CATOM1376 CTHR A 9542.473 78.098 16.514 1.00 33.11CATOM1377 OTHR A 9543.310 77.222 16.485 1.00 32.77OATOM1378 NGLY A 9641.900 78.586 15.420 1.00 33.06NATOM1380 CA GLY A 9642.387 78.216 14.115 1.00 32.88CATOM1383 CGLY A 9641.591 78.729 12.920 1.00 32.82CATOM1384 OGLY A 9640.376 78.924 12.987 1.00 32.83OATOM1385 NASP A 9742.320 78.915 11.823 1.00 32.52NATOM1387 CA ASP A 9741.769 79.087 10.491 1.00 32.72CATOM1389 CB ASP A 9742.930 79.168 9.482 1.00 32.29CATOM1392 CG ASP A 9742.471 79.433 8.040 1.00 33.43C
ATOM1393 OD1 ASP A 9743.168 80.1917.324 1.00 33.22OATOM1394 OD2 ASP A 9741.462 78.9157.524 1.00 31.71OATOM1395 C ASP A 9740.855 77.89010.202 1.00 32.24CATOM1396 O ASP A 9741.282 76.74210.256 1.00 33.21OATOM1397 N TYR A 9839.590 78.1709.930 1.00 31.88NATOM1399 CATYR A 9838.607 77.1459.586 1.00 31.33CATOM1401 CBTYR A 9837.595 76.97010.729 1.00 31.05CATOM1404 CGTYR A 9836.759 75.72410.589 1.00 31.13CATOM1405 CD1 TYR A 9837.362 74.48710.451 1.00 30.75CATOM1407 CE1 TYR A 9836.628 73.34010.305 1.00 31.96CATOM1409 CZTYR A 9835.250 73.40110.318 1.00 32.08CATOM1410 OHTYR A 9834.544 72.22410.164 1.00 32.93OATOM1412 CE2 TYR A 9834.615 74.61210.467 1.00 31.46CATOM1414 CD2 TYR A 9835.372 75.77410.602 1.00 31.43CATOM1416 C TYR A 9837.893 77.4938.268 1.00 31.46CATOM1417 O TYR A 9836.693 77.2528.103 1.00 30.69OATOM1418 N GLY A 9938.648 78.0447.322 1.00 31.78NATOM1420 CAGLY A 9938.117 78.3796.014 1.00 31.97CATOM1423 C GLY A 9938.339 77.2405.057 1.00 31.91CATOM1424 O GLY A 9938.635 76.1285.479 1.00 32.40OATOM1425 N GLY A 10038.215 77.5253.763 1.00 32.00NATOM1427 CAGLY A 10038.407 76.5362.717 1.00 31.76CATOM1430 C GLY A 10037.350 76.6421.631 1.00 31.89CATOM1431 O GLY A 10037.681 76.7470.438 1.00 32.26OATOM1432 N PRO A 10136.078 76.5732.021 1.00 31.85NATOM1433 CAPRO A 10134.977 76.8161.073 1.00 31.81CATOM1435 CBPRO A 10133.715 76.5441.909 1.00 31.89CATOM1438 CGPRO A 10134.194 75.7423.113 1.00 31.63CATOM1441 CDPRO A 10135.585 76.2343.374 1.00 31.55CATOM1444 C PRO A 10134.982 78.2510.532 1.00 32.04CATOM1445 O PRO A 10135.421 79.1831.234 1.00 31.74OATOM1446 N LEU A 10234.507 78.425-0.706 1.00 31.98NATOM1448 CALEU A 10234.564 79.727-1.387 1.00 32.10CATOM1450 CBLEU A 10235.467 79.636-2.612 1.00 31.89CATOM1453 CGLEU A 10236.928 79.344-2.267 1.00 31.76CATOM1455 CD1 LEU A 10237.710 79.077-3.532 1.00 31.00CATOM1459 CD2 LEU A 10237.535 80.493-1.478 1.00 33.52CATOM1463 C LEU A 10233.188 80.300-1.783 1.00 32.23CATOM1464 O LEU A 10233.108 81.251-2.558 1.00 31.79OATOM1465 N PHE A 10332.126 79.760-1.194 1.00 32.19NATOM1467 CAPHE A 10330.764 80.223-1.450 1.00 32.16CATOM1469 CBPHE A 10329.890 79.067-1.962 1.00 32.17CATOM1472 CGPHE A 10329.980 77.808-1.131 1.00 32.34CATOM1473 CD1 PHE A 10330.902 76.826-1.445 1.00 32.80CATOM1475 CE1 PHE A 10330.988 75.660-0.686 1.00 33.35CATOM1477 CZPHE A 10330.152 75.4830.405 1.00 33.28CATOM1479 CE2 PHE A 10329.226 76.4600.727 1.00 32.90CATOM1481 CD2 PHE A 10329.139 77.614-0.041 1.00 32.07CATOM1483 C PHE A 10330.152 80.873-0.204 1.00 32.51CATOM1484 O PHE A 10328.966 81.153-0.172 1.00 32.49OATOM1485 N LEU A 10430.986 81.1590.799 1.00 32.85NATOM1487 CALEU A 10430.539 81.7772.047 1.00 33.10CATOM1489 CBLEU A 10431.367 81.2533.230 1.00 33.16CATOM1492 CGLEU A 10431.543 79.7363.335 1.00 33.84CATOM1494 CD1 LEU A 10432.490 79.3824.481 1.00 34.06CATOM1498 CD2 LEU A 10430.202 79.0263.503 1.00 33.83CATOM1502 C LEU A 10430.615 83.3082.011 1.00 33.42CATOM1503 O LEU A 10429.607 83.9912.261 1.00 33.44OATOM1504 N LEU A 10531.802 83.8421.721 1.00 32.89NATOM1506 CALEU A 10532.003 85.2941.633 1.00 33.06CATOM1508 CBLEU A 10533.456 85.6491.249 1.00 32.56CATOM1511 CGLEU A 10534.538 85.6482.331 1.00 33.83CATOM1513 CD1 LEU A 10535.914 85.7031.698 1.00 34.79CATOM1517 CD2 LEU A 10534.375 86.7903.302 1.00 35.07CATOM1521 C LEU A 10531.020 85.9910.657 1.00 32.63CATOM1522 O LEU A 10530.522 87.0710.960 1.00 32.35OATOM1523 N PRO A 10630.776 85.421-0.515 1.00 32.86NATOM1524 CAPRO A 10629.799 86.011-1.446 1.00 33.37CATOM1526 CBPRO A 10629.734 84.991-2.577 1.00 33.37CATOM1529 CGPRO A 10631.116 84.376-2.578 1.00 33.92CATOM1532 CDPRO A 10631.448 84.252-1.101 1.00 32.86CATOM1535 C PRO A 10628.420 86.256-0.841 1.00 33.47CATOM1536 O PRO A 10627.886 87.349-1.014 1.00 33.84OATOM1537 N GLY A 10727.869 85.279-0.123 1.00 33.56NATOM1539 CAGLY A 10726.583 85.4600.539 1.00 33.89CATOM1542 C GLY A 10726.585 86.6011.542 1.00 34.21CATOM1543 O GLY A 10725.634 87.3781.618 1.00 33.61O
ATOM1544 NLEU A 10827.662 86.6952.320 1.00 34.37 NATOM1546 CA LEU A 10827.817 87.7653.299 1.00 34.78 CATOM1548 CB LEU A 10829.126 87.5884.062 1.00 35.08 CATOM1551 CG LEU A 10829.285 88.0905.507 1.00 36.66 CATOM1553 CD1 LEU A 10830.697 88.6505.741 1.00 36.70 CATOM1557 CD2 LEU A 10828.214 89.0685.994 1.00 36.53 CATOM1561 CLEU A 10827.862 89.1362.654 1.00 34.55 CATOM1562 OLEU A 10827.235 90.0613.131 1.00 34.38 OATOM1563 NLEU A 10928.643 89.2541.590 1.00 34.43 NATOM1565 CA LEU A 10928.908 90.5380.953 1.00 34.58 CATOM1567 CB LEU A 10930.148 90.4480.047 1.00 34.15 CATOM1570 CG LEU A 10931.449 90.2330.844 1.00 34.32 CATOM1572 CD1 LEU A 10932.572 89.777-0.075 1.00 33.71 CATOM1576 CD2 LEU A 10931.846 91.5131.616 1.00 33.41 CATOM1580 CLEU A 10927.706 91.0280.166 1.00 34.68 CATOM1581 OLEU A 10927.449 92.2180.116 1.00 34.97 OATOM1582 NILE A 11026.971 90.115-0.446 1.00 35.18 NATOM1584 CA ILE A 11025.723 90.477-1.103 1.00 35.74 CATOM1586 CB ILE A 11025.164 89.296-1.909 1.00 35.56 CATOM1588 CG1 ILE A 11026.020 89.075-3.151 1.00 34.64 CATOM1591 CD1 ILE A 11025.723 87.782-3.882 1.00 35.28 CATOM1595 CG2 ILE A 11023.711 89.541-2.310 1.00 36.08 CATOM1599 CILE A 11024.732 90.960-0.052 1.00 36.25 CATOM1600 OILE A 11024.018 91.929-0.268 1.00 36.88 OATOM1601 NTHR A 11124.715 90.3091.102 1.00 36.56 NATOM1603 CA THR A 11123.792 90.6882.162 1.00 36.27 CATOM1605 CB THR A 11123.793 89.6293.279 1.00 36.30 CATOM1607 OG1 THR A 11123.274 88.3982.764 1.00 35.87 OATOM1609 CG2 THR A 11122.837 89.9974.422 1.00 35.92 CATOM1613 CTHR A 11124.184 92.0502.693 1.00 36.60 CATOM1614 OTHR A 11123.325 92.8992.924 1.00 36.18 OATOM1615 NCYS A 11225.488 92.2622.868 1.00 36.67 NATOM1617 CA CYS A 11226.017 93.5523.296 1.00 37.06 CATOM1619 CB CYS A 11227.537 93.4713.484 1.00 37.18 CATOM1622 SG CYS A 11228.002 92.5514.975 1.00 37.65 SATOM1623 CCYS A 11225.672 94.6652.306 1.00 37.57 CATOM1624 OCYS A 11225.423 95.7942.705 1.00 37.40 OATOM1625 NHIS A 11325.669 94.3471.017 1.00 38.11 NATOM1627 CA HIS A 11325.327 95.325-0.010 1.00 39.01 CATOM1629 CB HIS A 11325.683 94.790-1.394 1.00 39.19 CATOM1632 CG HIS A 11325.327 95.718-2.510 1.00 40.94 CATOM1633 ND1 HIS A 11326.128 96.776-2.881 1.00 42.26 NATOM1635 CE1 HIS A 11325.565 97.415-3.890 1.00 43.25 CATOM1637 NE2 HIS A 11324.425 96.814-4.183 1.00 42.93 NATOM1639 CD2 HIS A 11324.252 95.748-3.335 1.00 41.59 CATOM1641 CHIS A 11323.836 95.6930.091 1.00 39.16 CATOM1642 OHIS A 11323.503 96.8590.191 1.00 38.52 OATOM1643 NVAL A 11422.959 94.6940.151 1.00 39.76 NATOM1645 CA VAL A 11421.514 94.9280.245 1.00 40.32 CATOM1647 CB VAL A 11420.730 93.6010.160 1.00 40.26 CATOM1649 CG1 VAL A 11419.241 93.8240.423 1.00 40.75 CATOM1653 CG2 VAL A 11420.930 92.953-1.196 1.00 40.16 CATOM1657 CVAL A 11421.111 95.6841.516 1.00 40.79 CATOM1658 OVAL A 11420.372 96.6601.446 1.00 41.21 OATOM1659 NALA A 11521.603 95.2352.668 1.00 41.34 NATOM1661 CA ALA A 11521.270 95.8343.957 1.00 41.74 CATOM1663 CB ALA A 11521.186 94.7495.016 1.00 42.12 CATOM1667 CALA A 11522.245 96.9294.411 1.00 42.23 CATOM1668 OALA A 11522.177 97.3695.552 1.00 42.33 OATOM1669 NARG A 11623.136 97.3673.522 1.00 42.75 NATOM1671 CA ARG A 11624.037 98.5013.773 1.00 43.31 CATOM1673 CB ARG A 11623.245 99.8053.882 1.00 44.22 CATOM1676 CG ARG A 11622.342 100.1472.717 1.00 47.46 CATOM1679 CD ARG A 11621.458 101.3603.038 1.00 52.39 CATOM1682 NE ARG A 11621.093 102.1691.871 1.00 56.30 NATOM1684 CZ ARG A 11621.945 102.8951.137 1.00 57.02 CATOM1685 NH1 ARG A 11623.252 102.9211.398 1.00 56.81 NATOM1688 NH2 ARG A 11621.471 103.5810.112 1.00 58.74 NATOM1691 CARG A 11624.882 98.3485.040 1.00 42.47 CATOM1692 OARG A 11625.041 99.2945.807 1.00 42.44 OATOM1693 NILE A 11725.420 97.1595.254 1.00 41.61 NATOM1695 CA ILE A 11726.268 96.8906.407 1.00 41.06 CATOM1697 CB ILE A 11726.144 95.4096.851 1.00 40.46 CATOM1699 CG1 ILE A 11724.682 95.0277.107 1.00 40.20 CATOM1702 CD1 ILE A 11724.426 93.5377.128 1.00 39.12 CATOM1706 CG2 ILE A 11727.000 95.1608.100 1.00 40.34 CATOM1710 CILE A 11727.730 97.1946.043 1.00 41.03 C
ATOM1711 OILE A 11728.292 96.5245.177 1.00 40.47OATOM1712 NPRO A 11828.350 98.1636.710 1.00 41.18NATOM1713 CA PRO A 11829.790 98.3886.542 1.00 41.80CATOM1715 CB PRO A 11829.971 99.8546.965 1.00 41.76CATOM1718 CG PRO A 11828.836 100.117 7.952 1.00 41.84CATOM1721 CD PRO A 11827.765 99.0837.704 1.00 41.19CATOM1724 CPRO A 11830.544 97.4337.468 1.00 42.20CATOM1725 OPRO A 11829.987 97.0138.480 1.00 42.46OATOM1726 NLEU A 11931.759 97.0447.109 1.00 42.67NATOM1728 CA LEU A 11932.547 96.1757.971 1.00 42.82CATOM1730 CB LEU A 11933.263 95.1027.141 1.00 43.50CATOM1733 CG LEU A 11932.305 94.0906.477 1.00 44.36CATOM1735 CD1 LEU A 11933.076 93.0555.686 1.00 45.42CATOM1739 CD2 LEU A 11931.394 93.4007.509 1.00 44.75CATOM1743 CLEU A 11933.530 97.0328.768 1.00 42.28CATOM1744 OLEU A 11933.879 98.1328.343 1.00 42.30OATOM1745 NPRO A 12033.947 96.5639.938 1.00 41.58NATOM1746 CA PRO A 12034.903 97.32110.757 1.00 41.01CATOM1748 CB PRO A 12035.124 96.42211.981 1.00 41.22CATOM1751 CG PRO A 12033.930 95.49212.033 1.00 41.72CATOM1754 CD PRO A 12033.517 95.31210.591 1.00 42.11CATOM1757 CPRO A 12036.235 97.60010.042 1.00 40.29CATOM1758 OPRO A 12036.557 96.9789.028 1.00 39.71OATOM1759 NALA A 12137.001 98.53110.594 1.00 39.54NATOM1761 CA ALA A 12138.259 98.95210.000 1.00 39.05CATOM1763 CB ALA A 12138.929 99.97510.892 1.00 39.47CATOM1767 CALA A 12139.195 97.7669.745 1.00 38.59CATOM1768 OALA A 12139.392 96.90810.618 1.00 37.80OATOM1769 NGLY A 12239.727 97.7198.526 1.00 37.76NATOM1771 CA GLY A 12240.671 96.7088.106 1.00 37.22CATOM1774 CGLY A 12240.041 95.5517.350 1.00 36.58CATOM1775 OGLY A 12240.706 94.9226.537 1.00 35.45OATOM1776 NTYR A 12338.762 95.2827.608 1.00 36.38NATOM1778 CA TYR A 12338.103 94.0787.098 1.00 35.81CATOM1780 CB TYR A 12336.705 93.9177.695 1.00 35.43CATOM1783 CG TYR A 12336.638 93.3339.098 1.00 34.19CATOM1784 CD1 TYR A 12337.491 93.77010.119 1.00 34.03CATOM1786 CE1 TYR A 12337.412 93.22911.401 1.00 32.75CATOM1788 CZ TYR A 12336.458 92.26111.674 1.00 32.99CATOM1789 OH TYR A 12336.345 91.71312.940 1.00 31.62OATOM1791 CE2 TYR A 12335.608 91.82310.673 1.00 32.40CATOM1793 CD2 TYR A 12335.700 92.3609.409 1.00 33.15CATOM1795 CTYR A 12338.007 94.0985.580 1.00 36.44CATOM1796 OTYR A 12338.346 93.1334.924 1.00 36.16OATOM1797 NARG A 12437.539 95.2035.021 1.00 37.79NATOM1799 CA ARG A 12437.363 95.3283.571 1.00 38.70CATOM1801 CB ARG A 12436.859 96.7423.267 1.00 39.68CATOM1804 CG ARG A 12436.365 96.9801.860 1.00 43.61CATOM1807 CD ARG A 12436.156 98.4621.521 1.00 47.76CATOM1810 NE ARG A 12436.648 98.7220.170 1.00 53.19NATOM1812 CZ ARG A 12437.909 99.042-0.153 1.00 56.73CATOM1813 NH1 ARG A 12438.852 99.2060.780 1.00 58.07NATOM1816 NH2 ARG A 12438.223 99.223-1.437 1.00 57.93NATOM1819 CARG A 12438.681 95.0542.833 1.00 38.17CATOM1820 OARG A 12438.749 94.2441.907 1.00 37.86OATOM1821 NGLU A 12539.735 95.7153.290 1.00 37.96NATOM1823 CA GLU A 12541.061 95.5912.704 1.00 37.73CATOM1825 CB GLU A 12542.055 96.4843.469 1.00 38.34CATOM1828 CG GLU A 12541.963 97.9783.138 1.00 40.23CATOM1831 CD GLU A 12540.880 98.7283.910 1.00 42.61CATOM1832 OE1 GLU A 12540.273 98.1734.857 1.00 43.41OATOM1833 OE2 GLU A 12540.620 99.8933.560 1.00 45.68OATOM1834 CGLU A 12541.531 94.1402.720 1.00 36.91CATOM1835 OGLU A 12542.030 93.6211.716 1.00 36.85OATOM1836 NGLU A 12641.334 93.4693.843 1.00 35.97NATOM1838 CA GLU A 12641.869 92.1244.005 1.00 35.19CATOM1840 CB GLU A 12642.118 91.8315.486 1.00 35.09CATOM1843 CG GLU A 12643.362 92.5236.023 1.00 34.22CATOM1846 CD GLU A 12644.625 92.0885.299 1.00 33.57CATOM1847 OE1 GLU A 12644.636 90.9784.740 1.00 32.26OATOM1848 OE2 GLU A 12645.606 92.8515.286 1.00 35.02OATOM1849 CGLU A 12641.029 91.0383.329 1.00 34.66CATOM1850 OGLU A 12641.570 90.0242.886 1.00 34.19OATOM1851 NILE A 12739.725 91.2603.203 1.00 34.24NATM 1853 CA ILE A 12738.868 90.3232.468 1.00 33.86CATOM1855 CB ILE A 12737.367 90.6442.701 1.00 33.73CATOM1857 CG1 ILE A 12736.972 90.2754.132 1.00 33.00C
ATOM1860 CD1 ILE A 12735.631 90.825 4.577 1.00 33.74CATOM1864 CG2 ILE A 12736.494 89.893 1.700 1.00 33.92CATOM1868 CILE A 12739.214 90.346 0.981 1.00 33.93CATOM1869 OILE A 12739.347 89.298 0.357 1.00 33.88OATOM1870 NVAL A 12839.344 91.551 0.423 1.00 34.14NATOM1872 CA VAL A 12839.832 91.748 -0.944 1.00 34.31CATOM1874 CB VAL A 12840.019 93.272 -1.265 1.00 34.35CATOM1876 CG1 VAL A 12840.864 93.479 -2.529 1.00 34.31CATOM1880 CG2 VAL A 12838.661 93.966 -1.415 1.00 35.39CATOM1884 CVAL A 12841.162 91.015 -1.141 1.00 33.94CATOM1885 OVAL A 12841.347 90.282 -2.107 1.00 34.43OATOM1886 NARG A 12942.080 91.190 -0.211 1.00 33.82NATOM1888 CA ARG A 12943.400 90.576 -0.338 1.00 34.15CATOM1890 CB ARG A 12944.344 91.147 0.724 1.00 34.28CATOM1893 CG ARG A 12945.673 90.425 0.884 1.00 35.65CATOM1896 CD ARG A 12945.939 90.174 2.335 1.00 38.84CATOM1899 NE ARG A 12946.891 89.131 2.549 1.00 41.40NATOM1901 CZ ARG A 12947.342 88.768 3.726 1.00 41.01CATOM1902 NH1 ARG A 12946.941 89.371 4.834 1.00 41.27NATOM1905 NH2 ARG A 12948.208 87.782 3.782 1.00 42.92NATOM1908 CARG A 12943.338 89.040 -0.310 1.00 33.54CATOM1909 OARG A 12944.046 88.390 -1.072 1.00 33.37OATOM1910 NTYR A 13042.460 88.471 0.520 1.00 33.36NATOM1912 CA TYR A 13042.206 87.029 0.512 1.00 33.03CATOM1914 CB TYR A 13041.211 86.626 1.611 1.00 33.13CATOM1917 CG TYR A 13040.842 85.148 1.570 1.00 32.80CATOM1918 CD1 TYR A 13039.581 84.724 1.129 1.00 32.82CATOM1920 CE1 TYR A 13039.250 83.374 1.097 1.00 32.35CATOM1922 CZ TYR A 13040.186 82.429 1.488 1.00 32.50CATOM1923 OH TYR A 13039.880 81.100 1.453 1.00 30.21OATOM1925 CE2 TYR A 13041.442 82.821 1.911 1.00 31.82CATOM1927 CD2 TYR A 13041.757 84.177 1.953 1.00 32.44CATOM1929 CTYR A 13041.672 86.540 -0.816 1.00 33.17CATOM1930 OTYR A 13042.198 85.589 -1.400 1.00 33.40OATOM1931 NLEU A 13140.616 87.173 -1.295 1.00 33.61NATOM1933 CA LEU A 13140.005 86.769 -2.555 1.00 33.19CATOM1935 CB LEU A 13138.770 87.611 -2.826 1.00 33.19CATOM1938 CG LEU A 13137.597 87.386 -1.865 1.00 32.84CATOM1940 CD1 LEU A 13136.447 88.279 -2.253 1.00 33.01CATOM1944 CD2 LEU A 13137.155 85.935 -1.879 1.00 32.53CATOM1948 CLEU A 13141.001 86.854 -3.715 1.00 33.67CATOM1949 OLEU A 13141.000 86.004 -4.595 1.00 33.71OATOM1950 NARG A 13241.876 87.857 -3.692 1.00 34.27NATOM1952 CA ARG A 13242.947 87.977 -4.692 1.00 34.46CATOM1954 CB ARG A 13243.671 89.320 -4.563 1.00 34.35CATOM1957 CG ARG A 13242.973 90.517 -5.193 1.00 36.30CATOM1960 CD ARG A 13243.893 91.747 -5.255 1.00 37.47CATOM1963 NE ARG A 13243.196 93.027 -5.377 1.00 38.82NATOM1965 CZ ARG A 13242.676 93.511 -6.500 1.00 40.68CATOM1966 NH1 ARG A 13242.742 92.818 -7.629 1.00 41.93NATOM1969 NH2 ARG A 13242.089 94.701 -6.499 1.00 41.39NATOM1972 CARG A 13243.966 86.854 -4.534 1.00 33.96CATOM1973 OARG A 13244.433 86.291 -5.510 1.00 34.08OATOM1974 NSER A 13344.313 86.551 -3.291 1.00 33.95NATOM1976 CA SER A 13345.307 85.520 -2.974 1.00 33.80CATOM1978 CB SER A 13345.605 85.521 -1.463 1.00 33.77CATOM1981 OG SER A 13346.033 86.816 -1.018 1.00 32.98OATOM1983 CSER A 13344.887 84.113 -3.432 1.00 33.68CATOM1984 OSER A 13345.726 83.336 -3.898 1.00 33.41OATOM1985 NVAL A 13443.595 83.791 -3.340 1.00 33.61NATOM1987 CA VAL A 13443.126 82.440 -3.691 1.00 33.64CATOM1989 CB VAL A 13442.094 81.863 -2.645 1.00 33.45CATOM1991 CG1 VAL A 13442.733 81.779 -1.288 1.00 33.14CATOM1995 CG2 VAL A 13440.793 82.669 -2.575 1.00 32.45CATOM1999 CVAL A 13442.630 82.313 -5.141 1.00 34.31CATOM2000 OVAL A 13442.430 81.208 -5.651 1.00 33.91OATOM2001 NGLN A 13542.457 83.435 -5.830 1.00 35.35NATOM2003 CA GLN A 13542.216 83.383 -7.276 1.00 36.06CATOM2005 CB GLN A 13542.320 84.785 -7.888 1.00 36.01CATOM2008 CG GLN A 13541.817 84.876 -9.330 1.00 36.50CATOM2011 CD GLN A 13541.853 86.303 -9.868 1.00 37.38CATOM2012 OE1 GLN A 13542.559 87.160 -9.326 1.00 35.26OATOM2013 NE2 GLN A 13541.091 86.556 -10.929 1.00 35.71NATOM2016 CGLN A 13543.239 82.452 -7.947 1.00 36.51CATOM2017 OGLN A 13544.424 82.527 -7.657 1.00 36.10OATOM2018 NLEU A 13642.771 81.568 -8.816 1.00 37.20NATOM2020 CA LEU A 13643.640 80.623 -9.499 1.00 38.24C
ATOM2022 CB LEU A 13642.813 79.458-10.046 1.00 38.23CATOM2025 CG LEU A 13642.071 78.660-8.959 1.00 39.25CATOM2027 CD1 LEU A 13640.950 77.796-9.521 1.00 38.71CATOM2031 CD2 LEU A 13643.068 77.811-8.185 1.00 40.61CATOM2035 CLEU A 13644.425 81.330-10.629 1.00 39.30CATOM2036 OLEU A 13644.054 82.427-11.041 1.00 39.48OATOM2037 NPRO A 13745.524 80.736-11.098 1.00 40.27NATOM2038 CA PRO A 13746.260 81.298-12.244 1.00 40.48CATOM2040 CB PRO A 13747.407 80.295-12.473 1.00 40.68CATOM2043 CG PRO A 13747.577 79.582-11.173 1.00 41.10CATOM2046 CD PRO A 13746.178 79.529-10.554 1.00 40.49CATOM2049 CPRO A 13745.405 81.468-13.514 1.00 40.70CATOM2050 OPRO A 13745.645 82.410-14.268 1.00 41.16OATOM2051 NASP A 13844.412 80.602-13.736 1.00 40.63NATOM2053 CA ASP A 13843.535 80.744-14.903 1.00 40.20CATOM2055 CB ASP A 13842.854 79.404-15.280 1.00 40.46CATOM2058 CG ASP A 13841.743 78.953-14.285 1.00 40.58CATOM2059 OD1 ASP A 13841.445 79.656-13.289 1.00 39.79OATOM2060 OD2 ASP A 13841.113 77.882-14.453 1.00 37.81OATOM2061 CASP A 13842.516 81.890-14.751 1.00 39.55CATOM2062 OASP A 13841.795 82.205-15.690 1.00 40.30OATOM2063 NGLY A 13942.456 82.508-13.576 1.00 38.72NATOM2065 CA GLY A 13941.605 83.672-13.355 1.00 37.92CATOM2068 CGLY A 13940.326 83.427-12.575 1.00 37.12CATOM2069 OGLY A 13939.670 84.381-12.163 1.00 36.43OATOM2070 NGLY A 14039.983 82.161-12.353 1.00 36.77NATOM2072 CA GLY A 14038.741 81.794-11.692 1.00 36.79CATOM2075 CGLY A 14038.890 81.344-10.240 1.00 36.52CATOM2076 OGLY A 14039.960 81.407-9.637 1.00 36.37OATOM2077 NTRP A 14137.778 80.916-9.667 1.00 36.36NATOM2079 CA TRP A 14137.761 80.304-8.339 1.00 35.91CATOM2081 CB TRP A 14137.176 81.256-7.306 1.00 36.05CATOM2084 CG TRP A 14137.987 82.459-6.921 1.00 36.16CATOM2085 CD1 TRP A 14138.810 82.575-5.844 1.00 35.92CATOM2087 NE1 TRP A 14139.336 83.841-5.785 1.00 36.13NATOM2089 CE2 TRP A 14138.838 84.581-6.824 1.00 36.18CATOM2090 CD2 TRP A 14137.973 83.746-7.553 1.00 36.44CATOM2091 CE3 TRP A 14137.325 84.275-8.679 1.00 36.50CATOM2093 CZ3 TRP A 14137.553 85.579-9.030 1.00 36.17CATOM2095 CH2 TRP A 14138.414 86.389-8.284 1.00 37.92CATOM2097 CZ2 TRP A 14139.067 85.912-7.178 1.00 37.33CATOM2099 CTRP A 14136.843 79.105-8.407 1.00 35.67CATOM2100 OTRP A 14135.896 79.097-9.193 1.00 35.66OATOM2101 NGLY A 14237.081 78.123-7.542 1.00 35.45NATOM2103 CA GLY A 14236.244 76.939-7.452 1.00 35.01CATOM2106 CGLY A 14235.287 76.917-6.267 1.00 34.54CATOM2107 OGLY A 14234.997 77.937-5.655 1.00 35.22OATOM2108 NLEU A 14334.803 75.730-5.952 1.00 34.33NATOM2110 CA LEU A 14333.933 75.512-4.804 1.00 34.02CATOM2112 CB LEU A 14333.330 74.111-4.897 1.00 34.30CATOM2115 CG LEU A 14332.220 73.720-3.912 1.00 34.44CATOM2117 CD1 LEU A 14330.958 74.518-4.142 1.00 33.05CATOM2121 CD2 LEU A 14331.954 72.252-4.046 1.00 35.46CATOM2125 CLEU A 14334.686 75.672-3.487 1.00 33.79CATOM2126 OLEU A 14334.095 76.059-2.482 1.00 32.81OATOM2127 NHIS A 14435.985 75.357-3.509 1.00 33.53NATOM2129 CA HIS A 14436.859 75.457-2.341 1.00 33.72CATOM2131 CB HIS A 14436.729 74.203-1.499 1.00 33.75CATOM2134 CG HIS A 14437.068 72.949-2.236 1.00 33.71CATOM2135 ND1 HIS A 14438.333 72.393-2.198 1.00 33.34NATOM2137 CE1 HIS A 14438.345 71.312-2.960 1.00 31.85CATOM2139 NE2 HIS A 14437.139 71.140-3.478 1.00 30.55NATOM2141 CD2 HIS A 14436.330 72.157-3.051 1.00 32.38CATOM2143 CHIS A 14438.307 75.656-2.784 1.00 34.01CATOM2144 OHIS A 14438.604 75.624-3.977 1.00 34.42OATOM2145 NILE A 14539.220 75.813-1.830 1.00 34.34NATOM2147 CA ILE A 14540.588 76.231-2.153 1.00 34.37CATOM2149 CB ILE A 14541.338 76.762-0.893 1.00 34.46CATOM2151 CG1 ILE A 14541.444 75.6900.1951.00 34.48CATOM2154 CD1 ILE A 14542.197 76.1611.4101.00 33.08CATOM2158 CG2 ILE A 14540.667 78.011-0.338 1.00 34.19CATOM2162 CILE A 14541.448 75.197-2.908 1.00 34.36CATOM2163 OILE A 14542.422 75.597-3.507 1.00 34.65OATOM2164 NGLU A 14641.090 73.908-2.887 1.00 34.34NATOM2166 CA GLU A 14641.805 72.888-3.672 1.00 34.34CATOM2168 CB GLU A 14642.109 71.629-2.839 1.00 34.68CATOM2171 CG GLU A 14643.016 71.912-1.646 1.00 36.58C
ATOM2174 CD GLU A 14644.001 70.797 -1.277 1.00 38.79CATOM2175 OE1 GLU A 14644.034 69.700 -1.896 1.00 38.48OATOM2176 OE2 GLU A 14644.760 71.035 -0.318 1.00 40.54OATOM2177 CGLU A 14641.079 72.509 -4.965 1.00 34.08CATOM2178 OGLU A 14641.437 71.541 -5.613 1.00 33.43OATOM2179 NASP A 14740.097 73.304 -5.370 1.00 34.28NATOM2181 CA ASP A 14739.284 72.991 -6.539 1.00 34.45CATOM2183 CB ASP A 14737.817 73.331 -6.238 1.00 34.50CATOM2186 CG ASP A 14736.825 72.685 -7.211 1.00 34.25CATOM2187 OD1 ASP A 14737.132 71.643 -7.832 1.00 33.43OATOM2188 OD2 ASP A 14735.697 73.175 -7.418 1.00 34.16OATOM2189 CASP A 14739.780 73.794 -7.739 1.00 35.11CATOM2190 OASP A 14740.395 74.867 -7.583 1.00 34.53OATOM2191 NLYS A 14839.522 73.256 -8.928 1.00 36.09NATOM2193 CA LYS A 14839.659 74.002 -10.179 1.00 36.99CATOM2195 CB LYS A 14839.445 73.094 -11.394 1.00 37.44CATOM2198 CG LYS A 14840.511 72.054 -11.614 1.00 41.63CATOM2201 CD LYS A 14839.984 70.941 -12.531 1.00 45.26CATOM2204 CE LYS A 14841.062 69.93 9 -12.891 1.00 46.83CATOM2207 NZ LYS A 14840.607 69.058 -14.010 1.00 49.02NATOM2211 CLYS A 14838.588 75.065 -10.230 1.00 36.76CATOM2212 OLYS A 14837.641 75.046 -9.442 1.00 36.48OATOM2213 NSER A 14938.719 75.958 -11.204 1.00 36.60NATOM2215 CA SER A 14937.784 77.053 -11.381 1.00 36.34CATOM2217 CB SER A 14938.333 78.080 -12.389 1.00 36.22CATOM2220 OG SER A 1493 8.534 77.497 -13.665 1.00 36.26OATOM2222 CSER A 14936.449 76.500 -11.852 1.00 36.06CATOM2223 OSER A 14936.407 75.552 -12.630 1.00 36.11OATOM2224 NTHR A 15035.372 77.087 -11.339 1.00 35.80NATOM2226 CA THR A 15034.006 76.751 -11.725 1.00 35.53CATOM2228 CB THR A 15033.327 75.890 -10.635 1.00 35.72CATOM2230 OG1 THR A 15033.203 76.657 -9.425 1.00 34.81OATOM2232 CG2 THR A 15034.182 74.681 -10.250 1.00 36.41CATOM2236 CTHR A 15033.202 78.038 -11.905 1.00 35.00CATOM2237 OTHR A 15033.645 79.121 -11.532 1.00 35.47OATOM2238 NVAL A 15132.009 77.915 -12.463 1.00 34.64NATOM2240 CA VAL A 15131.121 79.051 -12.638 1.00 34.67CATOM2242 CB VAL A 15129.936 78.699 -13.572 1.00 34.62CATOM2244 CG1 VAL A 15128.948 79.851 -13.641 1.00 34.77CATOM2248 CG2 VAL A 15130.457 78.355 -14.975 1.00 34.92CATOM2252 CVAL A 15130.606 79.561 -11.298 1.0O 34.32CATOM2253 OVAL A 15130.494 80.770 -11.100 1.00 34.34OATOM2254 NPHE A 15230.285 78.638 -10.395 1.00 34.46NATOM2256 CA PHE A 15229.836 78.968 -9.030 1.00 34.46CATOM2258 CB PHE A 15229.619 77.663 -8.242 1.00 34.57CATOM2261 CG PHE A 15228.908 77.813 -6.898 1.00 35.30CATOM2262 CD1 PHE A 15227.916 78.759 -6.683 1.00 36.39CATOM2264 CE1 PHE A 15227.270 78.847 -5.430 1.00 37.28CATOM2266 CZ PHE A 15227.612 77.979 -4.407 1.00 36.33CATOM2268 CE2 PHE A 15228.581 77.022 -4.622 1.00 36.74CATOM2270 CD2 PHE A 15229.224 76.943 -5.857 1.00 36.63CATOM2272 CPHE A 15230.856 79.849 -8.317 1.00 34.45CATOM2273 OPHE A 15230.522 80.896 -7.793 1.00 34.46OATOM2274 NGLY A 15332.111 79.421 -8.313 1.00 34.61NATOM2276 CA GLY A 15333.148 80.134 -7.589 1.00 34.54CATOM2279 CGLY A 15333.532 81.434 -8.271 1.00 34.58CATOM2280 OGLY A 15333.730 82.455 -7.610 1.00 34.51OATOM2281 NTHR A 15433.639 81.399 -9.598 1.00 34.65NATOM2283 CA THR A 15434.169 82.535 -10.350 1.00 34.06CATOM2285 CB THR A 15434.535 82.130 -11.791 1.00 34.30CATOM2287 OG1 THR A 15435.534 81.102 -11.771 1.00 32.51OATOM2289 CG2 THR A 15435.224 83.278 -12.534 1.00 34.65CATOM2293 CTHR A 15433.171 83.673 -10.331 1.00 34.08CATOM2294 OTHR A 15433.523 84.796 -9.987 1.00 33.76OATOM2295 NALA A 15531.917 83.370 -10.660 1.00 34.29NATOM2297 CA ALA A 15530.867 84.386 -10.698 1.00 34.51CATOM2299 CB ALA A 15529.550 83.786 -11.206 1.00 34.58CATOM2303 CALA A 15530.649 85.042 -9.348 1.00 34.35CATOM2304 OALA A 15530.520 86.270 -9.268 1.00 34.67OATOM2305 NLEU A 15630.605 84.232 -8.291 1.00 34.12NATOM2307 CA LEU A 15630.290 84.758 -6.960 1.00 33.96CATOM2309 CB LEU A 15629.833 83.635 -6.019 1.00 33.97CATOM2312 CG LEU A 15628.452 83.027 -6.268 1.00 34.44CATOM2314 CD1 LEU A 15628.073 82.070 -5.137 1.00 36.27CATOM2318 CD2 LEU A 15627.394 84.104 -6.421 1.00 34.94CATOM2322 CLEU A 15631.434 85.545 -6.328 1.00 33.49CATOM2323 OLEU A 15631.191 86.448 -5.549 1.00 33.59O
ATOM2324 NASN A 15732.678 85.198 -6.634 1.00 33.57NATOM2326 CA ASN A 15733.809 85.941 -6.085 1.00 33.58CATOM2328 CB ASN A 15734.989 85.005 -5.853 1.00 33.97CATOM2331 CG ASN A 15734.774 84.130 -4.616 1.00 33.62CATOM2332 OD1 ASN A 15734.786 84.634 -3.510 1.00 35.14OATOM2333 ND2 ASN A 15734.501 82.845 -4.812 1.00 34.23NATOM2336 CASN A 15734.158 87.187 -6.909 1.00 33.72CATOM2337 OASN A 15734.648 88.174 -6.372 1.00 33.82OATOM2338 NTYR A 15833.850 87.150 -8.199 1.00 33.92NATOM2340 CA TYR A 15833.873 88.334 -9.046 1.00 34.46CATOM2342 CB TYR A 15833.462 87.938 -10.467 1.00 34.52CATOM2345 CG TYR A 15833.390 89.098 -11.436 1.00 36.05CATOM2346 CD1 TYR A 15834.512 89.483 -12.181 1.00 36.56CATOM2348 CE1 TYR A 15834.446 90.555 -13.069 1.00 36.91CATOM2350 CZ TYR A 15833.252 91.242 -13.227 1.00 37.67CATOM2351 OH TYR A 15833.181 92.299 -14.106 1.00 38.03OATOM2353 CE2 TYR A 15832.122 90.867 -12.509 1.00 37.04CATOM2355 CD2 TYR A 15832.197 89.796 -11.626 1.00 36.58CATOM2357 CTYR A 15832.928 89.403 -8.478 1.00 34.58CATOM2358 OTYR A 15833.330 90.535 -8.195 1.00 34.82OATOM2359 NVAL A 15931.675 89.012 -8.279 1.00 34.57NATOM2361 CA VAL A 15930.661 89.882 -7.701 1.00 34.73CATOM2363 CB VAL A 15929.296 89.138 -7.624 1.00 34.69CATOM2365 CG1 VAL A 15928.391 89.763 -6.618 1.00 35.86CATOM2369 CG2 VAL A 15928.632 89.122 -8.996 1.00 35.52CATOM2373 CVAL A 15931.081 90.387 -6.322 1.00 34.44CATOM2374 OVAL A 15930.878 91.561 -5.999 1.00 34.39OATOM2375 NSER A 16031.671 89.507 -5.516 1.00 34.38NATOM2377 CA SER A 16032.163 89.882 -4.187 1.00 34.33CATOM2379 CB SER A 16032.835 88.680 -3.503 1.00 34.07CATOM2382 OG SER A 16031.902 87.653 -3.228 1.00 33.68OATOM2384 CSER A 16033.157 91.041 -4.259 1.00 34.38CATOM2385 OSER A 16033.046 92.009 -3.521 1.00 35.08OATOM2386 NLEU A 16134.135 90.929 -5.150 1.00 34.58NATOM2388 CA LEU A 16135.162 91.956 -5.304 1.00 34.88CATOM2390 CB LEU A 16136.303 91.452 -6.202 1.00 34.82CATOM2393 CG LEU A 16137.241 90.447 -5.524 1.00 35.21CATOM2395 CD1 LEU A 16138.115 89.719 -6.555 1.00 35.96CATOM2399 CD2 LEU A 16138.089 91.140 -4.486 1.00 35.36CATOM2403 CLEU A 16134.589 93.258 -5.858 1.00 35.03CATOM2404 OLEU A 16135.024 94.331 -5.470 1.00 35.15OATOM2405 NARG A 16233.607 93.164 -6.749 1.00 35.56NATOM2407 CA ARG A 16232.951 94.354 -7.299 1.00 35.84CATOM2409 CB ARG A 16232.021 93.997 -8.459 1.00 35.59CATOM2412 CG ARG A 16232.742 93.403 -9.662 1.00 36.45CATOM2415 CD ARG A 16233.368 94.422 -10.609 1.00 37.46CATOM2418 NE ARG A 16232.365 95.195 -11.349 1.00 39.31NATOM2420 CZ ARG A 16232.005 96.448 -11.081 1.00 40.06CATOM2421 NH1 ARG A 16232.517 97.116 -10.066 1.00 41.59NATOM2424 NH2 ARG A 16231.099 97.045 -11.839 1.00 43.10NATOM2427 CARG A 16232.186 95.072 -6.204 1.00 36.17CATOM2428 OARG A 16232.249 96.290 -6.112 1.00 36.38OATOM2429 NILE A 16331.493 94.313 -5.354 1.00 36.60NATOM2431 CA ILE A 16330.791 94.875 -4.192 1.00 36.63CATOM2433 CB ILE A 16329.997 93.767 -3.455 1.00 36.72CATOM2435 CG1 ILE A 16328.681 93.494 -4.193 1.00 36.94CATOM2438 CD1 ILE A 16328.035 92.182 -3.829 1.00 38.15CATOM2442 CG2 ILE A 16329.699 94.154 -1.993 1.00 36.55CATOM2446 CILE A 16331.753 95.582 -3.231 1.00 37.04CATOM2447 OILE A 16331.411 96.608 -2.650 1.00 36.92OATOM2448 NLEU A 16432.956 95.032 -3.087 1.00 37.46NATOM2450 CA LEU A 16433.979 95.594 -2.207 1.00 37.89CATOM2452 CB LEU A 16435.010 94.513 -1.843 1.00 37.78CATOM2455 CG LEU A 16434.500 93.440 -0.866 1.00 38.71CATOM2457 CD1 LEU A 16435.363 92.184 -0.888 1.00 39.48CATOM2461 CD2 LEU A 16434.406 93.985 0.5491.00 38.75CATOM2465 CLEU A 16434.690 96.826 -2.806 1.00 38.18CATOM2466 OLEU A 16435.571 97.396 -2.172 1.00 38.23OATOM2467 NGLY A 16534.330 97.210 -4.030 1.00 38.67NATOM2469 CA GLY A 16534.744 98.484 -4.604 1.00 38.93CATOM2472 CGLY A 16535.760 98.386 -5.730 1.00 39.10CATOM2473 OGLY A 16536.215 99.407 -6.238 1.00 39.14OATOM2474 NVAL A 16636.120 97.165 -6.112 1.00 39.27NATOM2476 CA VAL A 16637.036 96.949 -7.223 1.00 39.61CATOM2478 CB VAL A 16637.678 95.544 -7.168 1.00 39.54CATOM2480 CG1 VAL A 16638.691 95.375 -8.296 1.00 40.04CATOM2484 CG2 VAL A 16638.355 95.301 -5.800 1.00 39.55C
ATOM2488 CVAL A 16636.262 97.142 -8.529 1.00 39.81 CATOM2489 OVAL A 16635.108 96.728 -8.637 1.00 39.94 OATOM2490 NGLY A 16736.890 97.777 -9.515 1.00 39.65 NATOM2492 CA GLY A 16736.227 98.091 -10.775 1.00 39.51 CATOM2495 CGLY A 16736.361 96.984 -11.800 1.00 39.46 CATOM2496 OGLY A 16737.233 96.135 -11.678 1.00 39.45 OATOM2497 NPRO A 16835.533 97.009 -12.837 1.00 39.95 NATOM2498 CA PRO A 16835.532 95.941 -13.843 1.00 40.54 CATOM2500 CB PRO A 16834.267 96.228 -14.664 1.00 40.48 CATOM2503 CG PRO A 16834.046 97.714 -14.536 1.00 40.37 CATOM2506 CD PRO A 16834.564 98.076 -13.158 1.00 40.14 CATOM2509 CPRO A 16836.780 95.909 -14.747 1.00 41.09 CATOM2510 OPRO A 16837.018 94.894 -15.394 1.00 41.10 OATOM2511 NASP A 16937.576 96.976 -14.770 1.00 41.75 NATOM2513 CA ASP A 16938.808 96.989 -15.581 1.00 42.28 CATOM2515 CB ASP A 16938.988 98.353 -16.249 1.00 42.39 CATOM2518 CG ASP A 16937.805 98.718 -17.101 1.00 44.67 CATOM2519 OD1 ASP A 16937.444 97.898 -17.977 1.00 46.94 OATOM2520 OD2 ASP A 16937.145 99.771 -16.941 1.00 49.16 OATOM2521 CASP A 16940.058 96.608 -14.791 1.00 41.93 CATOM2522 OASP A 16941.161 96.542 -15.350 1.00 41.37 OATOM2523 NASP A 17039.887 96.355 -13.495 1.00 41.64 NATOM2525 CA ASP A 17040.956 95.765 -12.688 1.00 41.43 CATOM2527 CB ASP A 17040.443 95.450 -11.277 1.00 41.37 CATOM2530 CG ASP A 17041.521 94.911 -10.370 1.00 40.74 CATOM2531 OD1 ASP A 17041.815 93.697 -10.436 1.00 38.50 OATOM2532 OD2 ASP A 17042.125 95.630 -9.555 1.00 41.67 OATOM2533 CASP A 17041.434 94.499 -13.401 1.00 41.34 CATOM2534 OASP A 17040.608 93.689 -13.794 1.00 41.14 OATOM2535 NPRO A 17142.744 94.343 -13.617 1.00 41.68 NATOM2536 CA PRO A 17143.264 93.223 -14.416 1.00 41.88 CATOM2538 CB PRO A 17144.782 93.495 -14.486 1.00 41.80 CATOM2541 CG PRO A 17145.074 94.427 -13.395 1.00 42.19 CATOM2544 CD PRO A 17143.829 95.229 -13.156 1.00 41.96 CATOM2547 CPRO A 17142.964 91.817 -13.864 1.00 41.70 CATOM2548 OPRO A 17142.789 90.903 -14.666 1.00 41.39 OATOM2549 NASP A 17242.906 91.646 -12.545 1.00 41.68 NATOM2551 CA ASP A 17242.433 90.378 -11.960 1.00 41.77 CATOM2553 CB ASP A 17242.589 90.365 -10.428 1.00 42.02 CATOM2556 CG ASP A 17244.043 90.286 -9.978 1.00 43.56 CATOM2557 OD1 ASP A 17244.924 89.936 -10.800 1.00 43.51 OATOM2558 OD2 ASP A 17244.391 90.562 -8.803 1.00 46.43 OATOM2559 CASP A 17240.972 90.085 -12.310 1.00 40.99 CATOM2560 OASP A 17240.612 88.936 -12.592 1.00 41.18 OATOM2561 NLEU A 17340.136 91.112 -12.271 1.00 39.94 NATOM2563 CA LEU A 17338.724 90.945 -12.577 1.00 40.05 CATOM2565 CB LEU A 17337.899 92.110 -12.027 1.00 39.62 CATOM2568 CG LEU A 17337.691 92.174 -10.506 1.00 39.69 CATOM2570 CD1 LEU A 17336.437 92.974 -10.199 1.00 39.10 CATOM2574 CD2 LEU A 17337.606 90.807 -9.847 1.00 39.68 CATOM2578 CLEU A 17338.464 90.766 -14.069 1.00 40.14 CATOM2579 OLEU A 17337.474 90.147 -14.436 1.00 39.59 OATOM2580 NVAL A 17439.351 91.291 -14.920 1.00 40.66 NATOM2582 CA VAL A 17439.284 91.039 -16.372 1.00 40.94 CATOM2584 CB VAL A 17440.313 91.899 -17.190 1.00 41.19 CATOM2586 CG1 VAL A 17440.376 91.454 -18.671 1.00 41.89 CATOM2590 CG2 VAL A 17439.963 93.373 -17.118 1.00 41.21 CATOM2594 CVAL A 17439.516 89.554 -16.637 1.00 40.97 CATOM2595 OVAL A 17438.774 88.934 -17.393 1.00 40.87 OATOM2596 NARG A 17540.532 88.977 -16.007 1.00 41.18 NATOM2598 CA ARG A 17540.817 87.555 -16.210 1.00 41.94 CATOM2600 CB ARG A 17542.160 87.159 -15.584 1.00 42.65 CATOM2603 CG ARG A 17543.378 87.566 -16.414 1.00 45.31 CATOM2606 CD ARG A 17544.722 87.509 -15.648 1.00 48.34 CATOM2609 NE ARG A 17544.817 86.378 -14.713 1.00 50.57 NATOM2611 CZ ARG A 17544.799 86.466 -13.367 1.00 52.59 CATOM2612 NH1 ARG A 17544.669 87.635 -12.751 1.00 52.26 NATOM2615 NH2 ARG A 17544.902 85.362 -12.621 1.00 52.79 NATOM2618 CARG A 17539.686 86.665 -15.655 1.00 41.31 CATOM2619 OARG A 17539.372 85.634 -16.234 1.00 40.99 OATOM2620 NALA A 17639.079 87.080 -14.546 1.00 40.84 NATOM2622 CA ALA A 17637.951 86.360 -13.968 1.00 40.43 CATOM2624 CB ALA A 17637.594 86.930 -12.605 1.00 40.12 CATOM2628 CALA A 17636.755 86.430 -14.907 1.00 40.48 CATOM2629 OALA A 17636.161 85.410 -15.231 1.00 39.77 OATOM2630 NARG A 17736.420 87.635 -15.366 1.00 40.63 NATOM2632 CA ARG A 17735.266 87.800 -16.238 1.00 41.19 C
ATOM2634 CB ARG A 17735.029 89.277 -16.589 1.00 41.29CATOM2637 CG ARG A 17733.872 89.495 -17.569 1.00 41.82CATOM2640 CD ARG A 17733.505 90.952 -17.810 1.00 42.89CATOM2643 NE ARG A 17734.645 91.741 -18.279 1.00 43.25NATOM2645 CZ ARG A 17735.372 92.575 -17.527 1.00 44.54CATOM2646 NH1 ARG A 17735.103 92.750 -16.240 1.00 44.77NATOM2649 NH2 ARG A 17736.380 93.240 -18.071 1.00 44.86NATOM2652 CARG A 17735.433 86.955 -17.504 1.00 41.56CATOM2653 OARG A 17734.470 86.340 -17.960 1.00 40.95OATOM2654 NASN A 17836.663 86.903 -18.034 1.00 41.93NATOM2656 CA ASN A 17836.955 86.179 -19.272 1.00 42.46CATOM2658 CB ASN A 17838.339 86.571 -19.848 1.00 43.00CATOM2661 CG ASN A 17838.377 88.021 -20.393 1.00 44.06CATOM2662 OD1 ASN A 17837.341 88.621 -20.688 1.00 45.07OATOM2663 ND2 ASN A 17839.581 88.580 -20.504 1.00 45.32NATOM2666 CASN A 17836.857 84.661 -19.109 1.00 42.39CATOM2667 OASN A 17836.283 83.991 -19.963 1.00 41.99OATOM2668 NILE A 17937.405 84.093 -18.036 1.00 42.29NATOM2670 CA ILE A 17937.199 82.656 -17.837 1.00 42.81CATOM2672 CB ILE A 17938.155 82.048 -16.781 1.00 42.77CATOM2674 CG1 ILE A 17938.102 80.518 -16.898 1.00 43.28CATOM2677 CD1 ILE A 17939.145 79.768 -16.114 1.00 43.41CATOM2681 CG2 ILE A 17937.805 82.526 -15.369 1.00 42.57CATOM2685 CILE A 17935.712 82.337 -17.539 1.00 42.93CATOM2686 OILE A 17935.220 81.289 -17.932 1.00 42.72OATOM2687 NLEU A 18035.018 83.259 -16.875 1.00 43.58NATOM2689 CA LEU A 18033.584 83.133 -16.585 1.00 44.61CATOM2691 CB LEU A 18033.102 84.351 -15.780 1.00 44.93CATOM2694 CG LEU A 18031.798 84.381 -14.972 1.00 46.69CATOM2696 CD1 LEU A 18031.878 85.481 -13.922 1.00 48.94CATOM2700 CD2 LEU A 18030.613 84.652 -15.813 1.00 47.72CATOM2704 CLEU A 18032.803 83.009 -17.896 1.00 44.93CATOM2705 OLEU A 18031.998 82.094 -18.054 1.00 44.68OATOM2706 NHIS A 18133.085 83.908 -18.840 1.00 45.53NATOM2708 CA HIS A 18132.472 83.889 -20.170 1.00 46.36CATOM2710 CB HIS A 18132.947 85.081 -21.025 1.00 46.54CATOM2713 CG HIS A 18132.370 86.399 -20.607 1.00 48.84CATOM2714 ND1 HIS A 18131.062 86.547 -20.205 1.00 52.29NATOM2716 CE1 HIS A 18130.838 87.812 -19.884 1.00 52.34CATOM2718 NE2 HIS A 18131.952 88.490 -20.068 1.00 52.68NATOM2720 CD2 HIS A 18132.928 87.630 -20.527 1.00 52.38CATOM2722 CHIS A 18132.770 82.585 -20.904 1.00 46.09CATOM2723 OHIS A 18131.876 81.990 -21.491 1.00 45.82OATOM2724 NLYS A 18234.024 82.149 -20.851 1.00 46.13NATOM2726 CA LYS A 18234.473 80.920 -21.504 1.00 46.46CATOM2728 CB LYS A 18235.974 80.704 -21.250 1.00 46.92CATOM2731 CG LYS A 18236.820 80.408 -22.484 1.00 49.08CATOM2734 CD LYS A 18238.315 80.659 -22.203 1.00 51.65CATOM2737 CE LYS A 18239.211 80.324 -23.404 1.00 53.33CATOM2740 NZ LYS A 18240.573 79.860 -22.965 1.00 53.71NATOM2744 CLYS A 18233.689 79.690 -21.019 1.00 46.14CATOM2745 OLYS A 18233.401 78.778 -21.796 1.00 46.36OATOM2746 NLYS A 18333.342 79.681 -19.732 1.00 45.50NATOM2748 CA LYS A 18332.585 78.580 -19.118 1.00 44.93CATOM2750 CB LYS A 18332.773 78.588 -17.591 1.00 44.72CATOM2753 CG LYS A 18334.159 78.106 -17.095 1.00 44.03CATOM2756 CD LYS A 18334.520 78.766 -15.752 1.00 44.04CATOM2759 CE LYS A 18335.540 77.996 -14.888 1.00 43.69CATOM2762 NZ LYS A 18336.371 76.964 -15.573 1.00 42.54NATOM2766 CLYS A 18331.080 78.605 -19.450 1.00 44.26CATOM2767 OLYS A 18330.370 77.635 -19.177 1.00 44.43OATOM2768 NGLY A 18430.607 79.703 -20.028 1.00 43.49NATOM2770 CA GLY A 18429.207 79.864 -20.426 1.00 43.01CATOM2773 CGLY A 18428.544 81.056 -19.764 1.00 42.64CATOM2774 OGLY A 18427.371 81.339 -19.999 1.00 42.61OATOM2775 NGLY A 18529.292 81.752 -18.917 1.00 41.98NATOM2777 CA GLY A 18528.751 82.850 -18.149 1.00 41.56CATOM2780 CGLY A 18527.841 82.370 -17.034 1.00 41.23CATOM2781 OGLY A 18527.698 81.167 -16.806 1.00 40.84OATOM2782 NALA A 18627.206 83.323 -16.359 1.00 40.79NATOM2784 CA ALA A 18626.499 83.051 -15.113 1.00 40.54CATOM2786 CB ALA A 18626.369 84.327 -14.293 1.00 40.31CATOM2790 CALA A 18625.124 82.403 -15.291 1.00 40.38CATOM2791 OALA A 18624.522 82.020 -14.297 1.00 40.32OATOM2792 NVAL A 18724.618 82.277 -16.522 1.00 40.07NATOM2794 CA VAL A 18723.320 81.611 -16.718 1.00 40.13CATOM2796 CB VAL A 18722.742 81.720 -18.177 1.00 40.07C
ATOM2798 CG1 VAL A 18722.436 83.162 -18.534 1.00 40.58 CATOM2802 CG2 VAL A 18723.654 81.064 -19.223 1.00 40.16 CATOM2806 C VAL A 18723.391 80.139 -16.323 1.00 39.90 CATOM2807 O VAL A 18722.369 79.544 -15.960 1.00 39.87 OATOM2808 N ALA A 18824.597 79.569 -16.403 1.00 39.49 NATOM2810 CAALA A 18824.842 78.170 -16.059 1.00 39.20 CATOM2812 CBALA A 18825.853 77.578 -17.039 1.00 39.46 CATOM2816 C ALA A 18825.333 77.948 -14.617 1.00 38.75 CATOM2817 O ALA A 18825.869 76.894 -14.307 1.00 38.30 OATOM2818 N ILE A 18925.160 78.936 -13.749 1.00 38.53 NATOM2820 CAILE A 18925.603 78.834 -12.364 1.00 38.30 CATOM2822 CBILE A 18925.620 80.236 -11.716 1.00 38.33 CATOM2824 CG1 ILE A 18926.435 80.235 -10.425 1.00 38.18 CATOM2827 CD1 ILE A 18926.621 81.630 -9.8181.00 37.33 CATOM2831 CG2 ILE A 18924.202 80.752 -11.462 1.00 38.88 CATOM2835 C ILE A 18924.681 77.864 -11.596 1.00 38.31 CATOM2836 O ILE A 18923.479 77.827 -11.845 1.00 38.21 OATOM2837 N PRO A 19025.234 77.056 -10.691 1.00 37.91 NATOM2838 CAPRO A 19024.405 76.202 -9.8251.00 37.45 CATOM2840 CBPRO A 19025.423 75.568 -8.8811.00 37.48 CATOM2843 OGPRO A 19026.708 75.572 -9.6651.00 37.37 CATOM2846 CDPRO A 19026.675 76.827 -10.475 1.00 37.72 CATOM2849 C PRO A 19023.351 76.963 -9.0321.00 37.16 CATOM2850 O PRO A 19023.510 78.157 -8.7741.00 37.11 OATOM2851 N SER A 19122.296 76.255 -8.6381.00 36.69 NATOM2853 CASER A 19121.120 76.858 -8.0091.00 36.58 CATOM2855 CBSER A 19120.106 75.772 -7.6161.00 36.88 CATOM2858 OGSER A 19120.666 74.886 -6.6751.00 38.77 OATOM2860 C SER A 19121.398 77.763 -6.8171.00 35.77 CATOM2861 O SER A 19120.722 78.767 -6.6631.00 35.43 OATOM2862 N TRP A 19222.388 77.432 -5.9821.00 35.54 NATOM2864 CATRP A 19222.744 78.295 -4.8441.00 34.84 CATOM2866 CBTRP A 19223.790 77.630 -3.9411.00 35.08 CATOM2869 CGTRP A 19223.241 76.653 -2.9711.00 35.70 CATOM2870 CD1 TRP A 19222.090 75.922 -3.0911.00 37.00 CATOM2872 NE1 TRP A 19221.928 75.113 -1.9951.00 36.81 NATOM2874 CE2 TRP A 19222.982 75.300 -1.1481.00 36.60 CATOM2875 CD2 TRP A 19223.834 76.259 -1.7411.00 36.29 CATOM2876 CE3 TRP A 19224.997 76.632 -1.0611.00 36.26 CATOM2878 CZ3 TRP A 19225.267 76.057 0.160 1.00 36.58 CATOM2880 CH2 TRP A 19224.404 75.106 0.719 1.00 37.37 CATOM2882 CZ2 TRP A 19223.256 74.716 0.081 1.00 36.43 CATOM2884 C TRP A 19223.287 79.641 -5.3311.00 34.47 CATOM2885 O TRP A 19223.075 80.678 -4.7051.00 34.09 OATOM2886 N GLY A 19324.027 79.595 -6.4281.00 34.20 NATOM2888 CAGLY A 19324.470 80.789 -7.1191.00 34.43 CATOM2891 C GLY A 19323.346 81.555 -7.8051.00 34.47 CATOM2892 O GLY A 19323.356 82.769 -7.8271.00 33.96 OATOM2893 N LYS A 19422.375 80.848 -8.3731.00 35.05 NATOM2895 CALYS A 19421.215 81.505 -8.9591.00 35.39 CATOM2897 CBLYS A 19420.268 80.483 -9.5751.00 35.80 CATOM2900 CGLYS A 19420.910 79.694 -10.714 1.00 36.12 CATOM2903 CDLYS A 19419.964 78.650 -11.286 1.00 37.24 CATOM2906 CELYS A 19420.479 78.165 -12.618 1.00 39.00 CATOM2909 NZLYS A 19420.464 76.713 -12.686 1.00 41.69 NATOM2913 C LYS A 19420.515 82.299 -7.8631.00 35.40 CATOM2914 O LYS A 19420.211 83.477 -8.0491.00 35.94 OATOM2915 N PHE A 19520.318 81.663 -6.7091.00 34.93 NATOM2917 CAPHE A 19519.674 82.309 -5.5581.00 34.46 CATOM2919 CBPHE A 19519.636 81.359 -4.3471.00 34.12 CATOM2922 CGPHE A 19519.213 82.021 -3.0631.00 32.95 CATOM2923 CD1 PHE A 19520.158 82.533 -2.1761.00 31.31 CATOM2925 CE1 PHE A 19519.774 83.143 -1.0081.00 29.77 CATOM2927 CZPHE A 19518.432 83.254 -0.6901.00 31.86 CATOM2929 CE2 PHE A 19517.480 82.760 -1.5521.00 32.23 CATOM2931 CD2 PHE A 19517.873 82.139 -2.7391.00 32.41 CATOM2933 C PHE A 19520.369 83.610 -5.1821.00 34.73 CATOM2934 O PHE A 19519.715 84.649 -5.0811.00 34.64 OATOM2935 N TRP A 19621.692 83.562 -4.9871.00 34.78 NATOM2937 CATRP A 19622.429 84.736 -4.5101.00 34.62 CATOM2939 CBTRP A 19623.863 84.358 -4.1011.00 34.69 CATOM2942 CGTRP A 19623.954 83.861 -2.6911.00 33.86 CATOM2943 CD1 TRP A 19624.401 82.644 -2.2841.00 32.58 CATOM2945 NE1 TRP A 19624.324 82.548 -0.9161.00 32.84 NATOM2947 CE2 TRP A 19623.814 83.713 -0.4141.00 33.11 CATOM2948 CD2 TRP A 19623.560 84.561 -1.5071.00 33.59 CATOM2949 CE3 TRP A 19623.025 85.828 -1.2561.00 33.61 C
ATOM2951 CZ3 TRP A 19622.779 86.204 0.0631.00 34.23CATOM2953 CH2 TRP A 19623.038 85.335 1.1221.00 33.38CATOM2955 CZ2 TRP A 19623.556 84.087 0.9061.00 34.31CATOM2957 CTRP A 19622.451 85.863 -5.540 1.00 34.53CATOM2958 OTRP A 19622.361 87.033 -5.192 1.00 34.42OATOM2959 NLEU A 19722.572 85.509 -6.807 1.00 34.84NATOM2961 CA LEU A 19722.516 86.504 -7.864 1.00 35.24CATOM2963 CB LEU A 19723.025 85.921 -9.187 1.00 35.21CATOM2966 CG LEU A 19724.518 85.547 -9.189 1.00 35.61CATOM2968 CD1 LEU A 19724.965 85.029 -10.545 1.00 35.78CATOM2972 CD2 LEU A 19725.389 86.713 -8.769 1.00 36.20CATOM2976 CLEU A 19721.099 87.085 -8.015 1.00 35.53CATOM2977 OLEU A 19720.954 88.236 -8.425 1.00 35.74OATOM2978 NALA A 19820.070 86.315 -7.647 1.00 35.30NATOM2980 CA ALA A 19818.687 86.813 -7.676 1.00 35.15CATOM2982 CB ALA A 19817.682 85.661 -7.626 1.00 35.39CATOM2986 CALA A 19818.417 87.779 -6.541 1.00 35.13CATOM2987 OALA A 19817.679 88.744 -6.726 1.00 35.31OATOM2988 NVAL A 19919.011 87.526 -5.372 1.00 35.09NATOM2990 CA VAL A 19918.946 88.458 -4.245 1.00 35.33CATOM2992 CB VAL A 19919.669 87.900 -2.968 1.00 35.25CATOM2994 CG1 VAL A 19919.884 88.993 -1.922 1.00 34.97CATOM2998 CG2 VAL A 19918.897 86.733 -2.349 1.00 35.01CATOM3002 CVAL A 19919.578 89.803 -4.640 1.00 35.65CATOM3003 OVAL A 19919.076 90.855 -4.271 1.00 35.83OATOM3004 NLEU A 20020.676 89.745 -5.388 1.00 36.04NATOM3006 CA LEU A 20021.404 90.932 -5.847 1.00 36.75CATOM3008 CB LEU A 20022.840 90.535 -6.224 1.00 36.66CATOM3011 CG LEU A 20023.875 91.629 -6.506 1.00 36.31CATOM3013 CD1 LEU A 20023.968 92.561 -5.339 1.00 36.67CATOM3017 CD2 LEU A 20025.227 90.999 -6.791 1.00 36.23CATOM3021 CLEU A 20020.738 91.605 -7.062 1.00 37.04CATOM3022 OLEU A 20021.239 92.604 -7.564 1.00 36.95OATOM3023 NASN A 20119.632 91.036 -7.537 1.00 37.36NATOM3025 CA ASN A 20118.881 91.576 -8.668 1.00 37.68CATOM3027 CB ASN A 20118.385 92.993 -8.334 1.00 37.75CATOM3030 CG ASN A 20117.075 93.363 -9.042 1.00 38.24CATOM3031 OD1 ASN A 20116.492 94.427 -8.756 1.00 40.10OATOM3032 ND2 ASN A 20116.628 92.524 -9.962 1.00 33.93NATOM3035 CASN A 20119.679 91.579 -9.983 1.00 37.70CATOM3036 OASN A 20119.504 92.465 -10.807 1.00 38.74OATOM3037 NVAL A 20220.554 90.600 -10.172 1.00 37.66NATOM3039 CA VAL A 20221.303 90.452 -11.427 1.00 37.96CATOM3041 CB VAL A 20222.829 90.654 -11.222 1.00 38.01CATOM3043 CG1 VAL A 20223.104 92.036 -10.638 1.00 38.76CATOM3047 CG2 VAL A 20223.420 89.593 -10.329 1.00 38.41CATOM3051 CVAL A 20221.029 89.114 -12.116 1.00 37.90CATOM3052 OVAL A 20221.622 88.799 -13.155 1.00 38.00OATOM3053 NTYR A 20320.114 88.343 -11.532 1.00 37.72NATOM3055 CA TYR A 20319.631 87.083 -12.088 1.00 37.85CATOM3057 CB TYR A 20320.416 85.915 -11.483 1.00 37.73CATOM3060 CG TYR A 20320.199 84.557 -12.119 1.00 37.37CATOM3061 CD1 TYR A 20319.003 83.868 -11.953 1.00 37.63CATOM3063 CE1 TYR A 20318.802 82.629 -12.526 1.00 35.99CATOM3065 CZ TYR A 20319.808 82.046 -13.258 1.00 35.75CATOM3066 OH TYR A 20319.610 80.810 -13.829 1.00 33.08OATOM3068 CE2 TYR A 20321.010 82.697 -13.430 1.00 34.94CATOM3070 CD2 TYR A 20321.202 83.941 -12.855 1.00 36.30CATOM3072 CTYR A 20318.153 87.004 -11.723 1.00 37.94CATOM3073 OTYR A 20317.776 87.339 -10.608 1.00 38.20OATOM3074 NSER A 20417.310 86.585 -12.654 1.00 37.95NATOM3076 CA SER A 20415.879 86.556 -12.391 1.00 38.17CATOM3078 CB SER A 20415.099 86.405 -13.696 1.00 38.12CATOM3081 OG SER A 20413.722 86.277 -13.434 1.00 37.68OATOM3083 CSER A 20415.488 85.412 -11.451 1.00 38.46CATOM3084 OSER A 20415.979 84.293 -11.594 1.00 38.36OATOM3085 NTRP A 20514.588 85.711 -10.515 1.00 38.87NATOM3087 CA TRP A 20513.955 84.703 -9.662 1.00 39.53CATOM3089 CB TRP A 20512.977 85.361 -8.685 1.00 39.30CATOM3092 CG TRP A 20513.628 86.018 -7.500 1.00 39.11CATOM3093 CD1 TRP A 20513.698 87.360 -7.238 1.00 38.45CATOM3095 NE1 TRP A 20514.367 87.575 -6.058 1.00 36.91NATOM3097 CE2 TRP A 20514.737 86.366 -5.527 1.00 37.43CATOM3098 CD2 TRP A 20514.281 85.364 -6.406 1.00 37.50CATOM3099 CE3 TRP A 20514.556 84.027 -6.094 1.00 37.86CATOM3101 CZ3 TRP A 20515.245 83.737 -4.924 1.00 37.28CATOM3103 CH2 TRP A 20515.676 84.761 -4.066 1.00 36.62C
ATOM3105 CZ2 TRP A 20515.432 86.072-4.348 1.00 36.70CATOM3107 CTRP A 20513.194 83.641-10.453 1.00 39.91CATOM3108 OTRP A 20512.954 82.546-9.943 1.00 39.90OATOM3109 NGLU A 20612.778 83.984-11.673 1.00 40.44NATOM3111 CA GLU A 20612.110 83.037-12.568 1.00 40.68CATOM3113 CB GLU A 20611.261 83.785-13.615 1.00 41.37CATOM3116 CG GLU A 20610.277 84.820-13.048 1.00 43.57CATOM3119 CD GLU A 2069.528 84.329-11.810 1.00 46.87CATOM3120 OE1 GLU A 2068.912 83.249-11.876 1.00 49.98OATOM3121 OE2 GLU A 2069.559 85.016-10.763 1.00 48.86OATOM3122 CGLU A 20613.093 82.090-13.272 1.00 39.97CATOM3123 OGLU A 20612.669 81.115-13.895 1.00 39.52OATOM3124 NGLY A 20714.393 82.377-13.184 1.00 39.30NATOM3126 CA GLY A 20715.429 81.534-13.770 1.00 38.95CATOM3129 CGLY A 20715.975 80.423-12.883 1.00 38.80CATOM3130 OGLY A 20716.990 79.796-13.221 1.00 38.33OATOM3131 NLEU A 20815.327 80.193-11.743 1.00 38.59NATOM3133 CA LEU A 20815.672 79.078-10.864 1.00 38.98CATOM3135 CB LEU A 20816.432 79.560-9.614 1.00 38.74CATOM3138 CG LEU A 20815.780 80.671-8.774 1.00 39.69CATOM3140 CD1 LEU A 20815.206 80.148-7.468 1.00 40.46CATOM3144 CD2 LEU A 20816.766 81.813-8.486 1.00 40.06CATOM3148 CLEU A 20814.423 78.284-10.456 1.00 38.67CATOM3149 OLEU A 20813.305 78.818-10.411 1.00 38.98OATOM3150 NASN A 20914.639 77.007-10.168 1.00 38.31NATOM3152 CA ASN A 20913.594 76.107-9.706 1.00 38.33CATOM3154 CB ASN A 20914.142 74.691-9.562 1.00 38.14CATOM3157 CG ASN A 20914.386 74.039-10.893 1.00 38.64CATOM3158 OD1 ASN A 20913.465 73.946-11.714 1.00 38.35OATOM3159 ND2 ASN A 20915.629 73.602-11.134 1.00 36.13NATOM3162 CASN A 20913.014 76.579-8.391 1.00 38.05CATOM3163 OASN A 20913.721 77.141-7.554 1.00 37.83OATOM3164 NTHR A 21011.718 76.364-8.223 1.00 37.50NATOM3166 CA THR A 21011.012 76.913-7.081 1.00 37.52CATOM3168 CB THR A 2109.484 76.662-7.205 1.00 37.37CATOM3170 OG1 THR A 2108.830 77.016-5.987 1.00 37.68OATOM3172 CG2 THR A 2109.142 75.186-7.372 1.00 36.82CATOM3176 CTHR A 21011.571 76.368-5.758 1.00 37.73CATOM3177 OTHR A 21011.867 75.181-5.638 1.00 37.04OATOM3178 NLEU A 21111.717 77.250-4.776 1.00 38.69NATOM3180 CA LEU A 21112.134 76.845-3.435 1.00 39.81CATOM3182 CB LEU A 21113.059 77.905-2.830 1.00 40.07CATOM3185 CG LEU A 21114.388 77.997-3.608 1.00 40.87CATOM3187 CD1 LEU A 21115.061 79.339-3.438 1.00 42.51CATOM3191 CD2 LEU A 21115.332 76.902-3.192 1.00 42.56CATOM3195 CLEU A 21110.919 76.523-2.536 1.00 40.72CATOM3196 OLEU A 21111.063 76.287-1.326 1.00 40.59OATOM3197 NPHE A 2129.729 76.532-3.146 1.00 41.11NATOM3199 CA PHE A 2128.540 75.859-2.618 1.00 41.33CATOM3201 CB PHE A 2128.594 74.386-3.028 1.00 41.65CATOM3204 CG PHE A 2127.324 73.624-2.774 1.00 42.80CATOM3205 CD1 PHE A 2127.363 72.388-2.145 1.00 44.80CATOM3207 CE1 PHE A 2126.199 71.670-1.916 1.00 44.91CATOM3209 CZ PHE A 2124.982 72.186-2.328 1.00 45.35CATOM3211 CE2 PHE A 2124.932 73.413-2.965 1.00 44.25CATOM3213 CD2 PHE A 2126.095 74.125-3.181 1.00 44.67CATOM3215 CPHE A 2128.381 75.994-1.101 1.00 40.66CATOM3216 OPHE A 2128.489 75.015-0.370 1.00 40.57OATOM3217 NPRO A 2138.124 77.212-0.635 1.00 40.43NATOM3218 CA PRO A 2137.910 77.4720.7961.00 40.66CATOM3220 CB PRO A 2137.597 78.9770.8391.00 40.64CATOM3223 CG PRO A 2137.316 79.379-0.575 1.00 40.35CATOM3226 CD PRO A 2138.052 78.445-1.440 1.00 40.37CATOM3229 CPRO A 2136.778 76.6661.4591.00 41.23CATOM3230 OPRO A 2136.854 76.4322.6721.00 40.96OATOM3231 NGLU A 2145.784 76.2200.6811.00 41.52NATOM3233 CA GLU A 2144.608 75.5061.2111.00 42.05CATOM3235 CB GLU A 2143.546 75.3040.1171.00 41.85CATOM3238 CG GLU A 2142.809 76.576-0.291 1.00 41.59CATOM3241 CD GLU A 2143.648 77.524-1.136 1.00 41.63CATOM3242 OE1 GLU A 2144.653 77.093-1.759 1.00 41.22OATOM3243 OE2 GLU A 2143.303 78.716-1.173 1.00 42.30OATOM3244 CGLU A 2144.956 74.1421.8141.00 42.71CATOM3245 OGLU A 2144.194 73.5822.5931.00 42.35OATOM3246 NMET A 2156.111 73.6061.4301.00 43.59NATOM3248 CA MET A 2156.603 72.3451.9841.00 44.20CATOM3250 CB MET A 2158.002 72.0621.4381.00 44.67C
ATOM3253 CG MET A 2158.410 70.6101.463 1.00 47.57 CATOM3256 SD MET A 21510.214 70.3491.190 1.00 54.99 SATOM3257 CE MET A 21510.743 71.8630.372 1.00 54.71 CATOM3261 CMET A 2156.637 72.3293.522 1.00 43.99 CATOM3262 OMET A 2156.502 71.2674.114 1.00 43.03 OATOM3263 NTRP A 2166.812 73.4884.156 1.00 44.48 NATOM3265 CA TRP A 2166.844 73.5765.621 1.00 45.42 CATOM3267 CB TRP A 2167.512 74.8796.086 1.00 45.25 CATOM3270 CG TRP A 2168.954 74.8425.807 1.00 45.00 CATOM3271 CD1 TRP A 2169.526 74.8684.584 1.00 44.87 CATOM3273 NE1 TRP A 21610.884 74.7664.704 1.00 44.99 NATOM3275 CE2 TRP A 21611.223 74.6566.026 1.00 44.64 CATOM3276 CD2 TRP A 21610.028 74.6896.757 1.00 44.52 CATOM3277 CE3 TRP A 21610.097 74.5918.154 1.00 45.08 CATOM3279 CZ3 TRP A 21611.345 74.4668.761 1.00 45.59 CATOM3281 CH2 TRP A 21612.519 74.4317.996 1.00 45.87 CATOM3283 CZ2 TRP A 21612.478 74.5236.630 1.00 45.50 CATOM3285 CTRP A 2165.460 73.4316.258 1.00 46.63 CATOM3286 OTRP A 2165.354 73.0297.420 1.00 46.22 OATOM3287 NLEU A 2174.423 73.7565.488 1.00 47.99 NATOM3289 CA LEU A 2173.026 73.5965.903 1.00 49.44 CATOM3291 CB LEU A 2172.117 74.5035.065 1.00 49.35 CATOM3294 CG LEU A 2172.275 76.0075.260 1.00 49.50 CATOM3296 CD1 LEU A 2171.280 76.7344.363 1.00 50.11 CATOM3300 CD2 LEU A 2172.073 76.4106.720 1.00 49.80 CATOM3304 CLEU A 2172.507 72.1605.805 1.00 50.64 CATOM3305 OLEU A 2171.439 71.8586.329 1.00 50.58 OATOM3306 NPHE A 2183.243 71.2905.114 1.00 52.31 NATOM3308 CA PHE A 2182.944 69.8625.097 1.00 53.63 CATOM3310 CB PHE A 2184.088 69.0724.436 1.00 54.10 CATOM3313 CG PHE A 2184.149 69.1672.918 1.00 56.70 CATOM3314 CD1 PHE A 2185.231 68.5922.241 1.00 58.96 CATOM3316 CE1 PHE A 2185.329 68.6590.852 1.00 59.47 CATOM3318 CZ PHE A 2184.331 69.2960.118 1.00 60.02 CATOM3320 CE2 PHE A 2183.244 69.8740.778 1.00 59.40 CATOM3322 CD2 PHE A 2183.155 69.8102.167 1.00 58.50 CATOM3324 CPHE A 2182.787 69.3416.523 1.00 54.30 CATOM3325 OPHE A 2183.379 69.8887.457 1.00 54.08 OATOM3326 NPRO A 2192.001 68.2806.705 1.00 55.51 NATOM3327 CA PRO A 2191.943 67.6138.011 1.00 56.39 CATOM3329 CB PRO A 2190.854 66.5507.834 1.00 56.39 CATOM3332 CG PRO A 2190.657 66.3866.375 1.00 55.97 CATOM3335 CD PRO A 2191.124 67.6395.710 1.00 55.62 CATOM3338 CPRO A 2193.297 66.9878.338 1.00 57.31 CATOM3339 OPRO A 2194.019 66.6047.409 1.00 57.71 OATOM3340 NASP A 2203.636 66.8979.624 1.00 58.28 NATOM3342 CA ASP A 2204.977 66.47510.065 1.00 58.97 CATOM3344 CB ASP A 2205.099 66.56311.601 1.00 59.32 CATOM3347 CG ASP A 2205.541 67.94912.103 1.00 60.55 CATOM3348 OD1 ASP A 2205.127 68.99511.543 1.00 61.51 OATOM3349 OD2 ASP A 2206.297 68.08913.088 1.00 62.05 OATOM3350 CASP A 2205.342 65.0499.592 1.00 58.92 CATOM3351 OASP A 2206.529 64.7219.465 1.00 59.32 OATOM3352 NTRP A 2214.319 64.2279.337 1.00 58.59 NATOM3354 CA TRP A 2214.478 62.8368.877 1.00 58.31 CATOM3356 CB TRP A 2213.284 61.9789.350 1.00 58.63 CATOM3359 CG TRP A 2211.895 62.5499.030 1.00 59.21 CATOM3360 CD1 TRP A 2211.060 63.2119.902 1.00 59.71 CATOM3362 NE1 TRP A 221-0.102 63.5779.263 1.00 60.01 NATOM3364 CE2 TRP A 221-0.057 63.1437.962 1.00 59.57 CATOM3365 CD2 TRP A 2211.189 62.4917.776 1.00 59.30 CATOM3366 CE3 TRP A 2211.484 61.9646.510 1.00 59.74 CATOM3368 CZ3 TRP A 2210.540 62.1055.479 1.00 59.84 CATOM3370 CH2 TRP A 221-0.682 62.7625.701 1.00 59.83 CATOM3372 CZ2 TRP A 221-0.999 63.2836.932 1.00 59.44 CATOM3374 CTRP A 2214.637 62.6427.356 1.00 57.63 CATOM3375 OTRP A 2214.976 61.5486.906 1.00 57.90 OATOM3376 NALA A 2224.370 63.6756.562 1.00 56.71 NATOM3378 CA ALA A 2224.439 63.5545.102 1.00 55.83 CATOM3380 CB ALA A 2223.858 64.8034.434 1.00 55.90 CATOM3384 CALA A 2225.883 63.3344.635 1.00 54.98 CATOM3385 OALA A 2226.818 63.7935.291 1.00 54.50 OATOM3386 NPRO A 2236.070 62.6473.506 1.00 54.02 NATOM3387 CA PRO A 2237.418 62.4182.966 1.00 53.27 CATOM3389 CB PRO A 2237.163 61.6341.670 1.00 53.38 CATOM3392 CG PRO A 2235.794 61.0811.797 1.00 54.19 CATOM3395 CD PRO A 2235.027 62.0442.656 1.00 54.20 C
ATOM3398 CPRO A 2238.144 63.7252.655 1.00 52.39CATOM3399 OPRO A 2237.526 64.6512.123 1.00 52.11OATOM3400 NALA A 2249.437 63.7842.985 1.00 51.34NATOM3402 CA ALA A 22410.278 64.9632.757 1.00 50.36CATOM3404 CB ALA A 22410.251 65.3701.274 1.00 50.60CATOM3408 CALA A 2249.944 66.1723.629 1.00 49.43CATOM3409 OALA A 22410.442 67.2643.371 1.00 49.13OATOM3410 NHIS A 2259.121 66.0004.660 1.00 48.38NATOM3412 CA HIS A 2258.830 67.1265.535 1.00 47.64CATOM3414 CB HIS A 2257.899 66.7586.676 1.00 47.77CATOM3417 CG HIS A 2257.488 67.9407.493 1.00 49.19CATOM3418 ND1 HIS A 2258.292 68.4808.477 1.00 49.99NATOM3420 CE1 HIS A 2257.686 69.5349.000 1.00 49.96CATOM3422 NE2 HIS A 2256.529 69.7038.386 1.00 49.83NATOM3424 CD2 HIS A 2256.385 68.7287.433 1.00 50.35CATOM3426 CHIS A 22510.155 67.6536.092 1.00 46.53CATOM3427 OHIS A 22511.002 66.8516.484 1.00 46.40OATOM3428 NPRO A 22610.349 68.9756.087 1.00 45.23NATOM3429 CA PRO A 22611.624 69.5796.495 1.00 44.38CATOM3431 CB PRO A 22611.281 71.0666.584 1.00 44.37CATOM3434 CG PRO A 22610.235 71.2575.559 1.00 45.00CATOM3437 CD PRO A 2269.389 70.0105.649 1.00 45.58CATOM3440 CPRO A 22612.192 69.0717.826 1.00 43.32CATOM3441 OPRO A 22613.402 68.8797.913 1.00 42.58OATOM3442 NSER A 22711.333 68.8478.823 1.00 42.17NATOM3444 CA SER A 22711.754 68.31110.121 1.00 41.33CATOM3446 CB SER A 22710.560 68.13611.064 1.00 41.47CATOM3449 OG SER A 2279.727 67.08110.624 1.00 41.68OATOM3451 CSER A 22712.499 66.98510.053 1.00 40.20CATOM3452 OSER A 22713.198 66.65610.987 1.00 40.76OATOM3453 NTHR A 22812.326 66.2198.980 1.00 39.09NATOM3455 CA THR A 22813.028 64.9498.807 1.00 38.28CATOM3457 CB THR A 22812.092 63.8878.168 1.00 38.41CATOM3459 OG1 THR A 22811.743 64.2606.827 1.00 38.35OATOM3461 CG2 THR A 22810.742 63.7928.928 1.00 38.65CATOM3465 CTHR A 22814.318 65.0447.981 1.00 37.60CATOM3466 OTHR A 22815.000 64.0447.781 1.00 36.85OATOM3467 NLEU A 22914.641 66.2347.487 1.00 37.25NATOM3469 CA LEU A 22915.848 66.4316.683 1.00 37.30CATOM3471 CB LEU A 22915.599 67.4805.596 1.00 37.64CATOM3474 CG LEU A 22914.348 67.2394.736 1.00 38.87CATOM3476 CD1 LEU A 22914.255 68.3063.686 1.00 39.65CATOM3480 CD2 LEU A 22914.364 65.8784.092 1.00 39.45CATOM3484 CLEU A 22917.039 66.8477.552 1.00 36.41CATOM3485 OLEU A 22916.859 67.3288.672 1.00 35.55OATOM3486 NTRP A 23018.246 66.6627.019 1.00 35.80NATOM3488 CA TRP A 23019.489 67.0357.707 1.00 35.44CATOM3490 CB TRP A 23020.682 66.8586.776 1.00 35.14CATOM3493 CG TRP A 23022.024 67.0447.424 1.00 35.46CATOM3494 CD1 TRP A 23022.386 66.6868.689 1.00 34.81CATOM3496 NE1 TRP A 23023.705 66.9998.906 1.00 37.31NATOM3498 CE2 TRP A 23024.231 67.5517.767 1.00 35.50CATOM3499 CD2 TRP A 23023.198 67.5996.812 1.00 35.52CATOM3500 CE3 TRP A 23023.479 68.1345.547 1.00 35.46CATOM3502 CZ3 TRP A 23024.759 68.5975.285 1.00 36.56CATOM3504 CH2 TRP A 23025.759 68.5426.264 1.00 36.10CATOM3506 CZ2 TRP A 23025.512 68.0137.507 1.00 35.61CATOM3508 CTRP A 23019.408 68.4888.135 1.00 35.35CATOM3509 OTRP A 23018.983 69.3397.365 1.00 35.18OATOM3510 NCYS A 23119.839 68.7709.357 1.00 35.51NATOM3512 CA CYS A 23119.730 70.1109.911 1.00 36.06CATOM3514 CB CYS A 23120.206 70.14711.365 1.00 36.15CATOM3517 SG CYS A 23121.892 69.53411.611 1.00 37.89SATOM3518 CCYS A 23120.460 71.1649.082 1.00 35.96CATOM3519 OCYS A 23119.951 72.2568.910 1.00 35.72OATOM3520 NHIS A 23221.646 70.8748.563 1.00 36.50NATOM3522 CA HIS A 23222.345 71.9067.770 1.00 36.75CATOM3524 CB HIS A 23223.759 71.5007.434 1.00 36.77CATOM3527 CG HIS A 23224.774 71.7918.497 1.00 37.65CATOM3528 ND1 HIS A 23225.702 72.8088.377 1.00 37.78NATOM3530 CE1 HIS A 23226.483 72.8169.446 1.00 38.04CATOM3532 NE2 HIS A 23226.108 71.84210.244 1.00 38.17NATOM3534 CD2 HIS A 23225.033 71.1829.677 1.00 38.58CATOM3536 CHIS A 23221.589 72.2166.470 1.00 36.54CATOM3537 OHIS A 23221.572 73.3526.015 1.00 36.65OATOM3538 NCYS A 23320.974 71.2055.881 1.00 36.70NATOM3540 CA CYS A 23320.162 71.3894.687 1.00 37.26C
ATOM3542 CB CYS A 23319.730 70.0324.140 1.00 37.41CATOM3545 SG CYS A 23318.736 70.1442.657 1.00 39.74SATOM3546 C CYS A 23318.922 72.2414.971 1.00 36.82CATOM3547 O CYS A 23318.723 73.2894.366 1.00 36.83OATOM3548 N ARG A 23418.098 71.7995.907 1.00 36.46NATOM3550 CA ARG A 23416.854 72.4996.186 1.00 36.36CATOM3552 CB ARG A 23415.951 71.6547.099 1.00 36.90CATOM3555 CG ARG A 23416.213 71.7448.589 1.00 36.65CATOM3558 CD ARG A 23415.093 71.1229.423 1.00 36.79CATOM3561 NE ARG A 23415.414 71.17110.842 1.00 36.18NATOM3563 CZ ARG A 23416.127 70.26011.488 1.00 36.14CATOM3564 NH1 ARG A 23416.578 69.17410.879 1.00 36.70NATOM3567 NH2 ARG A 23416.378 70.43412.775 1.00 37.86NATOM3570 C ARG A 23417.075 73.9166.741 1.00 36.06CATOM3571 O ARG A 23416.272 74.8066.478 1.00 35.65OATOM3572 N GLN A 23518.181 74.1397.456 1.00 35.28NATOM3574 CA GLN A 23518.453 75.4628.052 1.00 35.20CATOM3576 CB GLN A 23519.457 75.3419.212 1.00 35.02CATOM3579 CG GLN A 23519.252 76.33810.345 1.00 34.45CATOM3582 CD GLN A 23517.953 76.13111.110 1.00 34.39CATOM3583 OE1 GLN A 23517.178 77.07711.294 1.00 36.28OATOM3584 NE2 GLN A 23517.713 74.91011.555 1.00 33.49NATOM3587 C GLN A 23518.934 76.5057.018 1.00 34.93CATOM3588 O GLN A 23518.786 77.7217.221 1.00 34.72OATOM3589 N VAL A 23619.506 76.0335.916 1.00 34.77NATOM3591 CA VAL A 23619.844 76.9164.802 1.00 34.54CATOM3593 CB VAL A 23620.990 76.3363.942 1.00 34.49CATOM3595 CG1 VAL A 23621.133 77.1032.618 1.00 35.20CATOM3599 CG2 VAL A 23622.296 76.3884.719 1.00 34.75CATOM3603 C VAL A 23618.613 77.1583.929 1.00 34.63CATOM3604 O VAL A 23618.324 78.2863.543 1.00 34.41OATOM3605 N TYR A 23717.883 76.0983.622 1.00 35.05NATOM3607 CA TYR A 23716.783 76.1982.681 1.00 35.45CATOM3609 CB TYR A 23716.391 74.8142.154 1.00 35.55CATOM3612 CG TYR A 23717.224 74.3790.975 1.00 36.09CATOM3613 CD1 TYR A 23716.834 74.705-0.324 1.00 35.81CATOM3615 CE1 TYR A 23717.591 74.329-1.413 1.00 35.97CATOM3617 CZ TYR A 23718.767 73.619-1.220 1.00 36.54CATOM3618 OH TYR A 23719.512 73.260-2.313 1.00 36.57OATOM3620 CE2 TYR A 23719.181 73.2720.058 1.00 35.77CATOM3622 CD2 TYR A 23718.406 73.6591.152 1.00 35.82CATOM3624 C TYR A 23715.597 76.9463.289 1.00 35.80CATOM3625 O TYR A 23714.782 77.4832.563 1.00 36.31OATOM3626 N LEU A 23815.526 77.0074.618 1.00 36.38NATOM3628 CA LEU A 23814.471 77.7555.317 1.00 36.53CATOM3630 CB LEU A 23814.564 77.5106.830 1.00 36.66CATOM3633 CG LEU A 23813.854 78.4377.821 1.00 36.85CATOM3635 CD1 LEU A 23812.359 78.3737.621 1.00 37.24CATOM3639 CD2 LEU A 23814.236 78.0449.232 1.00 36.50CATOM3643 C LEU A 23814.466 79.2574.975 1.00 36.81CATOM3644 O LEU A 23813.458 79.7734.478 1.00 36.74OATOM3645 N PRO A 23915.567 79.9695.228 1.00 37.07NATOM3646 CA PRO A 23915.670 81.3684.809 1.00 36.86CATOM3648 CB PRO A 23916.911 81.8655.547 1.00 37.19CATOM3651 CG PRO A 23917.734 80.6655.751 1.00 37.14CATOM3654 CD PRO A 23916.763 79.5455.975 1.00 37.15CATOM3657 C PRO A 23915.789 81.5593.301 1.00 36.91CATOM3658 O PRO A 23915.313 82.5852.824 1.00 37.40OATOM3659 N MET A 24016.360 80.6122.557 1.00 36.80NATOM3661 CA MET A 24016.380 80.7291.099 1.00 36.79CATOM3663 CB MET A 24017.087 79.5490.430 1.00 36.38CATOM3666 CG MET A 24018.597 79.6540.315 1.00 35.35CATOM3669 SD MET A 24019.298 78.180-0.471 1.00 33.78SATOM3670 CE MET A 24021.070 78.692-0.550 1.00 36.67CATOM3674 C MET A 24014.940 80.7860.573 1.00 37.16CATOM3675 O MET A 24014.616 81.569-0.312 1.00 37.11OATOM3676 N SER A 24114.086 79.9451.135 1.00 37.45NATOM3678 CA SER A 24112.685 79.8720.726 1.00 37.90CATOM3680 CB SER A 24112.036 78.6241.292 1.00 38.09CATOM3683 OG SER A 24112.666 77.5090.708 1.00 39.64OATOM3685 C SER A 24111.886 81.0811.142 1.00 37.75CATOM3686 O SER A 24110.991 81.4840.418 1.00 38.76OATOM3687 N TYR A 24212.202 81.6722.287 1.00 37.65NATOM3689 CA TYR A 24211.555 82.9212.670 1.00 37.48CATOM3691 CB TYR A 24211.949 83.3804.082 1.00 37.25CATOM3694 CG TYR A 24211.255 84.6674.463 1.00 37.69CATOM3695 CD1 TYR A 24211.666 85.8783.926 1.00 38.05C
ATOM3697 CE1 TYR A 24211.030 87.0534.2371.00 38.67 CATOM3699 CZTYR A 2429.947 87.0395.0831.00 39.45 CATOM3700 OHTYR A 2429.335 88.2255.3761.00 42.72 OATOM3702 CE2 TYR A 2429.502 85.8625.6361.00 38.50 CATOM3704 CD2 TYR A 24210.155 84.6725.3201.00 38.39 CATOM3706 C TYR A 24211.884 84.0041.6341.00 37.53 CATOM3707 O TYR A 24210.984 84.6951.1431.00 37.98 OATOM3708 N CYS A 24313.170 84.1481.3091.00 37.04 NATOM3710 CACYS A 24313.625 85.1420.3421.00 36.61 CATOM3712 CBCYS A 24315.159 85.157O.2471.00 36.41 CATOM3715 SGCYS A 24316.005 85.7861.7371.00 34.53 SATOM3716 C CYS A 24313.008 84.898-1.034 1.00 36.75 CATOM3717 O CYS A 24312.645 85.838-1.728 1.00 36.68 OATOM3718 N TYR A 24412.873 83.633-1.420 1.00 37.17 NATOM3720 CATYR A 24412.222 83.280-2.678 1.00 37.35 CATOM3722 CBTYR A 24412.341 81.787-2.947 1.00 37.38 CATOM3725 CGTYR A 24411.622 81.326-4.196 1.00 37.30 CATOM3726 CD1 TYR A 24410.354 80.739-4.127 1.00 37.98 CATOM3728 CE1 TYR A 2449.696 80.324 -5.274 1.00 37.13 CATOM3730 CZTYR A 24410.306 80.491-6.501 1.00 37.50 CATOM3731 OHTYR A 2449.690 80.089 -7.657 1.00 37.53 OATOM3733 CE2 TYR A 24411.562 81.059-6.582 1.00 37.66 CATOM3735 CD2 TYR A 24412.203 81.476-5.437 1.00 36.80 CATOM3737 C TYR A 24410.743 83.695-2.655 1.00 37.61 CATOM3738 O TYR A 24410.258 84.275-3.615 1.00 36.89 OATOM3739 N ALA A 24510.064 83.422-1.543 1.00 38.20 NATOM3741 CAALA A 2458.633 83.689-1.395 1.00 39.22 CATOM3743 CBALA A 2458.145 83.242-O.006 1.00 39.43 CATOM3747 C ALA A 2458.285 85.161-1.621 1.00 39.75 CATOM3748 O ALA A 2457.320 85.481-2.324 1.00 40.16 OATOM3749 N VAL A 2469.081 86.047-1.043 1.00 40.10 NATOM3751 CAVAL A 2468.860 87.489-1.168 1.00 40.29 CATOM3753 CBVAL A 2469.165 88.2060.1541.00 40.22 CATOM3755 CG1 VAL A 2468.400 87.5421.3051.00 40.47 CATOM3759 CG2 VAL A 24610.678 88.2350.4341.00 40.52 CATOM3763 C VAL A 2469.675 88.144-2.287 1.00 40.54 CATOM3764 O VAL A 2469.696 89.368-2.393 1.00 40.78 OATOM3765 N ARG A 24710.345 87.336-3.109 1.00 40.71 NATOM3767 CAARG A 24711.176 87.834-4.210 1.00 41.05 CATOM3769 CBARG A 24710.303 88.230-5.422 1.00 41.21 CATOM3772 CGARG A 2479.463 87.078-6.019 1.00 41.53 CATOM3775 CDARG A 24710.317 85.962-6.600 1.00 43.09 CATOM3778 NEARG A 2479.634 85.068-7.542 1.00 42.53 NATOM3780 CZARG A 2478.925 83.985-7.208 1.00 42.38 CATOM3781 NH1 ARG A 2478.747 83.645-5.943 1.00 42.88 NATOM3784 NH2 ARG A 2478.368 83.242-8.155 1.00 41.81 NATOM3787 C ARG A 24712.067 88.999-3.752 1.00 41.18 CATOM3788 O ARG A 24712.106 90.056-4.381 1.00 41.18 OATOM3789 N LEU A 24812.772 88.796-2.639 1.00 41.47 NATOM3791 CALEU A 24813.694 89.794-2.095 1.00 41.61 CATOM3793 CBLEU A 24814.315 89.278-0.789 1.00 41.68 CATOM3796 CGLEU A 24814.810 90.3390.1961.00 42.58 CATOM3798 CD1 LEU A 24814.910 89.7541.5881.00 43.01 CATOM3802 CD2 LEU A 24816.154 90.922-0.232 1.00 43.16 CATOM3806 C LEU A 24814.784 90.153-3.125 1.00 41.93 CATOM3807 O LEU A 24815.551 89.295-3.550 1.00 41.90 OATOM3808 N SER A 24914.822 91.417-3.541 1.00 42.50 NATOM3810 CASER A 24915.784 91.891-4.542 1.00 42.96 CATOM3812 CBSER A 24915.108 92.051-5.913 1.00 43.08 CATOM3815 OGSER A 24914.310 90.925-6.233 1.00 44.84 OATOM3817 C SER A 24916.384 93.234-4.146 1.00 42.79 CATOM3818 O SER A 24915.680 94.128-3.680 1.00 42.13 OATOM3819 N ALA A 25017.685 93.381-4.370 1.00 43.14 NATOM3821 CAALA A 25018.343 94.668-4.202 1.00 43.36 CATOM3823 CBALA A 25019.830 94.569-4.578 1.00 43.19 CATOM3827 C ALA A 25017.646 95.684-5.096 1.00 43.47 CATOM3828 O ALA A 25017.160 95.329-6.173 1.00 43.64 OATOM3829 N ALA A 25117.590 96.933-4.642 1.00 43.82 NATOM3831 CAALA A 25117.220 98.055-5.502 1.00 44.39 CATOM3833 CBALA A 25117.255 99.350-4.710 1.00 44.17 CATOM3837 C ALA A 25118.184 98.120-6.694 1.00 44.77 CATOM3838 O ALA A 25119.326 97.681-6.582 1.00 44.81 OATOM3839 N GLU A 25217.720 98.644-7.831 1.00 45.34 NATOM3841 CAGLU A 25218.515 98.664-9.066 1.00 46.08 CATOM3843 CBGLU A 25217.602 98.721-10.312 1.00 46.56 CATOM3846 CGGLU A 25216.545 97.628-10.392 1.00 49.29 CATOM3849 CDGLU A 25215.955 97.434-11.787 1.00 52.63 C
ATOM3850 OE1 GLU A 25216.219 98.265 -12.685 1.00 54.10OATOM3851 OE2 GLU A 25215.224 96.430 -11.987 1.00 55.95OATOM3852 CGLU A 25219.553 99.806 -9.154 1.00 45.67CATOM3853 OGLU A 25219.539 100.574 -10.122 1.00 46.59OATOM3854 NASP A 25320.471 99.894 -8.194 1.00 44.72NATOM3856 CA ASP A 25321.564 100.881 -8.235 1.00 44.05CATOM3858 CB ASP A 25322.291 100.917 -6.869 1.00 44.45CATOM3861 CG ASP A 25323.070 99.638 -6.568 1.00 45.25CATOM3862 OD1 ASP A 25323.932 99.262 -7.386 1.00 46.80OATOM3863 OD2 ASP A 25322.889 98.941 -5.543 1.00 47.44OATOM3864 CASP A 25322.544 100.629 -9.408 1.00 43.17CATOM3865 OASP A 25322.444 99.602 -10.077 1.00 42.80OATOM3866 NPRO A 25423.458 101.570 -9.683 1.00 42.35NATOM3867 CA PRO A 25424.421 101.435 -10.788 1.00 41.67CATOM3869 CB PRO A 25425.273 102.705 -10.665 1.00 41.66CATOM3872 CG PRO A 25424.397 103.661 -10.023 1.00 42.26CATOM3875 CD PRO A 25423.595 102.881 -9.024 1.00 42.36CATOM3878 CPRO A 25425.337 100.205 -10.789 1.00 41.14CATOM3879 OPRO A 25425.686 99.755 -11.879 1.00 40.56OATOM3880 NLEU A 25525.755 99.712 -9.625 1.00 40.76NATOM3882 CA LEU A 25526.536 98.467 -9.555 1.00 40.56CATOM3884 CB LEU A 25527.008 98.176 -8.117 1.00 40.98CATOM3887 CG LEU A 25527.841 96.896 -7.927 1.00 41.20CATOM3889 CD1 LEU A 25529.141 96.965 -8.726 1.00 40.45CATOM3893 CD2 LEU A 25528.128 96.653 -6.449 1.00 41.37CATOM3897 CLEU A 25525.721 97.286 -10.066 1.00 39.86CATOM3898 OLEU A 25526.205 96.489 -10.844 1.00 39.60OATOM3899 NVAL A 25624.478 97.186 -9.621 1.00 39.73NATOM3901 CA VAL A 25623.576 96.129 -10.074 1.00 39.69CATOM3903 CB VAL A 25622.207 96.240 -9.355 1.00 39.46CATOM3905 CG1 VAL A 25621.127 95.457 -10.063 1.00 40.30CATOM3909 CG2 VAL A 25622.331 95.778 -7.927 1.00 39.87CATOM3913 CVAL A 25623.397 96.162 -11.597 1.00 39.79CATOM3914 OVAL A 25623.414 95.123 -12.250 1.00 39.76OATOM3915 NGLN A 25723.233 97.361 -12.153 1.00 40.38NATOM3917 CA GLN A 25723.020 97.545 -13.589 1.00 40.49CATOM3919 CB GLN A 25722.616 99.004 -13.886 1.00 40.80CATOM3922 CG GLN A 25721.252 99.407 -13.345 1.00 41.40CATOM3925 CD GLN A 25721.025 100.905 -13.391 1.00 42.80CATOM3926 OE1 GLN A 25721.439 101.559 -14.335 1.00 45.56OATOM3927 NE2 GLN A 25720.368 101.448 -12.378 1.00 43.53NATOM3930 CGLN A 25724.286 97.206 -14.366 1.00 40.58CATOM3931 OGLN A 25724.236 96.646 -15.458 1.00 40.33OATOM3932 NSER A 25825.428 97.538 -13.780 1.00 40.90NATOM3934 CA SER A 25826.714 97.271 -14.405 1.00 41.35CATOM3936 CB SER A 25827.779 98.108 -13.707 1.00 41.53CATOM3939 OG SER A 25829.037 97.855 -14.273 1.00 43.94OATOM3941 CSER A 25827.052 95.762 -14.398 1.00 41.21CATOM3942 OSER A 25827.605 95.234 -15.371 1.00 41.28OATOM3943 NLEU A 25926.680 95.067 -13.317 1.00 40.86NATOM3945 CA LEU A 25926.926 93.629 -13.182 1.00 40.48CATOM3947 CB LEU A 25926.654 93.148 -11.740 1.00 40.23CATOM3950 CG LEU A 25927.661 93.543 -10.649 1.00 40.17CATOM3952 CD1 LEU A 25927.200 93.110 -9.252 1.00 39.61CATOM3956 CD2 LEU A 25929.041 92.987 -10.937 1.00 39.52CATOM3960 CLEU A 25926.076 92.828 -14.168 1.00 40.36CATOM3961 OLEU A 25926.495 91.778 -14.621 1.00 39.88OATOM3962 NARG A 26024.891 93.332 -14.513 1.00 40.81NATOM3964 CA ARG A 26024.036 92.667 -15.498 1.00 41.00CATOM3966 CB ARG A 26022.696 93.373 -15.632 1.00 41.15CATOM3969 CG ARG A 26021.752 93.146 -14.477 1.00 41.84CATOM3972 CD ARG A 26020.589 94.093 -14.482 1.00 42.34CATOM3975 NE ARG A 26019.594 93.773 -13.468 1.00 43.31NATOM3977 CZ ARG A 26018.471 94.464 -13.288 1.00 44.47CATOM3978 NH1 ARG A 26018.182 95.502 -14.060 1.00 45.10NATOM3981 NH2 ARG A 26017.614 94.106 -12.338 1.00 45.20NATOM3984 CARG A 26024.683 92.583 -16.868 1.00 41.38CATOM3985 OARG A 26024.398 91.657 -17.625 1.00 41.51OATOM3986 NGLN A 26125.540 93.553 -17.180 1.00 41.72NATOM3988 CA GLN A 26126.262 93.592 -18.452 1.00 42.35CATOM3990 CB GLN A 26126.464 95.045 -18.898 1.00 42.41CATOM3993 CG GLN A 26125.182 95.874 -18.882 1.00 43.01CATOM3996 CD GLN A 26124.117 95.305 -19.790 1.00 43.29CATOM3997 OE1 GLN A 26124.426 94.794 -20.71.00 45.22OATOM3998 NE2 GLN A 26122.856 95.348 -19.366 1.00 42.80NATOM4001 CGLN A 26127.623 92.887 -18.379 1.00 42.55CATOM4002 OGLN A 26128.266 92.668 -19.407 1.00 42.58O
ATOM4003 NGLU A 26228.049 92.514 -17.174 1.00 42.53NATOM4005 CA GLU A 26229.369 91.903 -16.980 1.00 42.72CATOM4007 CB GLU A 26230.032 92.487 -15.737 1.00 42.79CATOM4010 CG GLU A 26230.522 93.915 -15.913 1.00 43.17CATOM4013 CD GLU A 26230.802 94.583 -14.577 1.00 44.66CATOM4014 OE1 GLU A 26231.363 93.914 -13.682 1.00 44.41OATOM4015 OE2 GLU A 26230.459 95.774 -14.424 1.00 44.73OATOM4016 CGLU A 26229.351 90.382 -16.856 1.00 42.78CATOM4017 OGLU A 26230.302 89.726 -17.272 1.00 42.79OATOM4018 NLEU A 26328.280 89.829 -16.293 1.00 42.98NATOM4020 CA LEU A 26328.256 88.422 -15.879 1.00 43.42CATOM4022 CB LEU A 26327.305 88.232 -14.691 1.00 42.98CATOM4025 CG LEU A 26327.743 88.931 -13.408 1.00 42.41CATOM4027 CD1 LEU A 26326.652 88.831 -12.367 1.00 41.46CATOM4031 CD2 LEU A 26329.067 88.348 -12.897 1.00 40.99CATOM4035 CLEU A 26327.871 87.435 -16.973 1.00 43.93CATOM4036 OLEU A 26328.144 86.253 -16.834 1.00 43.99OATOM4037 NTYR A 26427.261 87.922 -18.051 1.00 44.70NATOM4039 CA TYR A 26426.625 87.065 -19.055 1.00 45.46CATOM4041 CB TYR A 26425.126 87.372 -19.119 1.00 45.07CATOM4044 CG TYR A 26424.437 87.196 -17.784 1.00 43.36CATOM4045 CD1 TYR A 26424.160 88.278 -16.973 1.00 41.32CATOM4047 CE1 TYR A 26423.538 88.109 -15.738 1.00 41.50CATOM4049 CZ TYR A 26423.197 86.842 -15.309 1.00 40.89CATOM4050 OH TYR A 26422.577 86.662 -14.105 1.00 40.90OATOM4052 CE2 TYR A 26423.470 85.754 -16.087 1.00 41.96CATOM4054 CD2 TYR A 26424.092 85.931 -17.323 1.00 43.07CATOM4056 CTYR A 26427.224 87.180 -20.458 1.00 46.94CATOM4057 OTYR A 26427.693 88.245 -20.882 1.00 46.59OATOM4058 NVAL A 26527.181 86.063 -21.177 1.00 48.75NATOM4060 CA VAL A 26527.699 85.980 -22.535 1.00 50.08CATOM4062 CB VAL A 26527.986 84.500 -22.922 1.00 50.30CATOM4064 CG1 VAL A 26527.875 84.266 -24.431 1.00 50.74CATOM4068 CG2 VAL A 26529.357 84.070 -22.418 1.00 50.14CATOM4072 CVAL A 26526.691 86.616 -23.497 1.00 51.26CATOM4073 OVAL A 26527.074 87.287 -24.446 1.00 51.78OATOM4074 NGLU A 26625.405 86.426 -23.222 1.00 52.31NATOM4076 CA GLU A 26624.351 86.888 -24.117 1.00 53.19CATOM4078 CB GLU A 26623.291 85.781 -24.332 1.00 53.39CATOM4081 CG GLU A 26622.702 85.109 -23.086 1.00 54.34CATOM4084 CD GLU A 26623.574 83.994 -22.477 1.00 55.05CATOM4085 OE1 GLU A 26623.667 82.873 -23.035 1.00 55.53OATOM4086 OE2 GLU A 26624.161 84.242 -21.411 1.00 53.21OATOM4087 CGLU A 26623.763 88.193 -23.584 1.00 53.65CATOM4088 OGLU A 26624.021 88.575 -22.437 1.00 53.81OATOM4089 NASP A 26723.020 88.903 -24.429 1.00 54.21NATOM4091 CA ASP A 26722.359 90.150 -24.025 1.00 54.64CATOM4093 CB ASP A 26721.545 90.754 -25.186 1.00 55.11CATOM4096 CG ASP A 26721.249 92.244 -24.996 1.00 57.35CATOM4097 OD1 ASP A 26720.635 92.636 -23.975 1.00 58.46OATOM4098 OD2 ASP A 26721.608 93.108 -25.840 1.00 61.89OATOM4099 CASP A 26721.436 89.873 -22.844 1.00 54.09CATOM4100 OASP A 26720.618 88.953 -22.905 1.00 54.14OATOM4101 NPHE A 26821.560 90.679 -21.793 1.00 53.59NATOM4103 CA PHE A 26820.849 90.442 -20.538 1.00 53.39CATOM4105 CB PHE A 26821.359 91.400 -19.445 1.00 53.13CATOM4108 CG PHE A 26820.525 91.391 -18.190 1.00 52.28CATOM4109 CD1 PHE A 26819.476 92.283 -18.031 1.00 51.86CATOM4111 CE1 PHE A 26818.691 92.266 -16.882 1.00 52.05CATOM4113 CZ PHE A 26818.961 91.359 -15.882 1.00 51.60CATOM4115 CE2 PHE A 26820.000 90.461 -16.034 1.00 51.68CATOM4117 CD2 PHE A 26820.777 90.480 -17.182 1.00 51.77CATOM4119 CPHE A 26819.324 90.560 -20.680 1.00 53.57CATOM4120 OPHE A 26818.577 89.825 -20.020 1.00 53.32OATOM4121 NALA A 26918.871 91.497 -21.512 1.00 53.87NATOM4123 CA ALA A 26917.437 91.774 -21.677 1.00 54.07CATOM4125 CB ALA A 26917.223 93.154 -22.306 1.00 54.11CATOM4129 CALA A 26916.733 90.698 -22.503 1.00 53.96CATOM4130 OALA A 26915.526 90.514 -22.378 1.00 54.27OATOM4131 NSER A 27017.494 89.984 -23.328 1.00 53.71NATOM4133 CA SER A 27016.953 88.905 -24.149 1.00 53.66CATOM4135 CB SER A 27017.548 88.993 -25.565 1.00 53.74CATOM4138 OG SER A 27018.932 88.702 -25.546 1.00 55.13OATOM4140 CSER A 27017.145 87.476 -23.571 1.00 53.14CATOM4141 OSER A 27016.834 86.488 -24.249 1.00 53.28OATOM4142 NILE A 27117.624 87.349 -22.330 1.00 52.35NATOM4144 CA ILE A 27117.816 86.012 -21.745 1.00 51.47C
ATOM4146 CB ILE A 27118.618 86.063 -20.413 1.00 51.46CATOM4148 CG1 ILE A 27120.103 86.321 -20.688 1.00 51.21CATOM4151 CD1 ILE A 27120.865 86.845 -19.474 1.00 51.28CATOM4155 CG2 ILE A 27118.481 84.743 -19.641 1.00 51.45CATOM4159 CILE A 27116.474 85.320 -21.520 1.00 50.56CATOM4160 OILE A 27115.545 85.905 -20.957 1.00 50.39OATOM4161 NASP A 27216.394 84.075 -21.970 1.00 49.63NATOM4163 CA ASP A 27215.252 83.214 -21.705 1.00 49.37CATOM4165 CB ASP A 27215.174 82.119 -22.783 1.00 49.43CATOM4168 CG ASP A 27214.001 81.172 -22.588 1.00 49.53CATOM4169 OD1 ASP A 27213.171 81.398 -21.670 1.00 48.28OATOM4170 OD2 ASP A 27213.837 80.171 -23.322 1.00 50.23OATOM4171 CASP A 27215.425 82.601 -20.312 1.00 48.95CATOM4172 OASP A 27216.013 81.536 -20.163 1.00 48.61OATOM4173 NTRP A 27314.916 83.290 -19.296 1.00 48.68NATOM4175 CA TRP A 27315.126 82.884 -17.906 1.00 48.61CATOM4177 CB TRP A 27314.608 83.962 -16.940 1.00 48.43CATOM418O CG TRP A 27315.468 85.209 -16.954 1.00 48.01CATOM4181 CD1 TRP A 27315.110 86.450 -17.397 1.00 47.85CATOM4183 NE1 TRP A 27316.164 87.324 -17.268 1.00 47.72NATOM4185 CE2 TRP A 27317.233 86.659 -16.729 1.00 47.11CATOM4186 CD2 TRP A 27316.832 85.322 -16.517 1.00 47.05CATOM4187 CE3 TRP A 27317.761 84.426 -15.973 1.00 47.18CATOM4189 CZ3 TRP A 27319.042 84.886 -15.660 1.00 46.53CATOM4191 CH2 TRP A 27319.401 86.219 -15.875 1.00 46.84CATOM4193 CZ2 TRP A 27318.514 87.121 -16.410 1.00 47.08CATOM4195 CTRP A 27314.549 81.509 -17.558 1.00 48.63CATOM4196 OTRP A 27315.160 80.781 -16.785 1.00 48.51OATOM4197 NLEU A 27413.411 81.133 -18.141 1.00 48.60NATOM4199 CA LEU A 27412.787 79.838 -17.831 1.00 48.84CATOM4201 CB LEU A 27411.438 79.687 -18.529 1.00 49.40CATOM4204 CG LEU A 27410.377 80.702 -18.096 1.00 51.59CATOM4206 CD1 LEU A 2749.327 80.905 -19.204 1.00 53.72CATOM4210 CD2 LEU A 2749.721 80.274 -16.797 1.00 52.67CATOM4214 CLEU A 27413.677 78.668 -18.217 1.00 48.14CATOM4215 OLEU A 27413.715 77.655 -17.522 1.00 48.22OATOM4216 NALA A 27514.404 78.820 -19.321 1.00 47.43NATOM4218 CA ALA A 27515.282 77.769 -19.833 1.00 46.70CATOM4220 CB ALA A 27515.585 78.019 -21.312 1.00 46.73CATOM4224 CALA A 27516.597 77.633 -19.054 1.00 46.13CATOM4225 OALA A 27517.378 76.714 -19.329 1.00 45.80OATOM4226 NGLN A 27616.852 78.544 -18.109 1.00 45.18NATOM4228 CA GLN A 27618.069 78.488 -17.291 1.00 44.73CATOM4230 CB GLN A 27618.623 79.893 -17.017 1.00 44.60CATOM4233 CG GLN A 27618.622 80.852 -18.217 1.00 43.85CATOM4236 CD GLN A 27619.172 80.230 -19.488 1.00 42.82CATOM4237 OE1 GLN A 27620.163 79.515 -19.452 1.00 41.98OATOM4238 NE2 GLN A 27618.513 80.491 -20.612 1.00 42.61NATOM4241 CGLN A 27617.892 77.739 -15.957 1.00 44.53CATOM4242 OGLN A 27618.867 77.540 -15.242 1.00 44.27OATOM4243 NARG A 27716.668 77.322 -15.640 1.00 43.98NATOM4245 CA ARG A 27716.382 76.622 -14.381 1.00 43.88CATOM4247 CB ARG A 27714.906 76.246 -14.317 1.00 43.94CATOM4250 CG ARG A 27714.027 77.438 -14.063 1.00 44.89CATOM4253 CD ARG A 27712.544 77.168 -14.212 1.00 45.36CATOM4256 NE ARG A 27711.786 78.360 -13.861 1.00 47.11NATOM4258 CZ ARG A 27710.464 78.436 -13.839 1.00 48.31CATOM4259 NH1 ARG A 2779.723 77.376 -14.124 1.00 48.55NATOM4262 NH2 ARG A 2779.884 79.583 -13.513 1.00 49.06NATOM4265 CARG A 27717.224 75.361 -14.163 1.00 43.51CATOM4266 OARG A 27717.724 75.127 -13.060 1.00 42.99OATOM4267 NASN A 27817.361 74.567 -15.221 1.00 43.12NATOM4269 CA ASN A 27818.152 73.349 -15.208 1.00 43.25CATOM4271 CB ASN A 27817.316 72.203 -15.771 1.00 43.18CATOM4274 CG ASN A 27816.032 71.990 -14.992 1.00 43.87CATOM4275 OD1 ASN A 27816.015 72.068 -13.758 1.00 44.72OATOM4276 ND2 ASN A 27814.954 71.717 -15.706 1.00 42.45NATOM4279 CASN A 27819.470 73.474 -15.980 1.00 43.15CATOM4280 OASN A 27820.090 72.471 -16.337 1.00 43.37OATOM4281 NASN A 27919.890 74.702 -16.243 1.00 43.37NATOM4283 CA ASN A 27921.213 74.958 -16.808 1.00 43.50CATOM4285 CB ASN A 27921.197 76.219 -17.683 1.00 43.34CATOM4288 CG ASN A 27922.480 76.398 -18.508 1.00 43.93CATOM4289 OD1 ASN A 27923.376 75.546 -18.504 1.00 44.34OATOM4290 ND2 ASN A 27922.572 77.526 -19.204 1.00 42.76NATOM4293 CASN A 27922.223 75.094 -15.673 1.00 43.47CATOM4294 OASN A 27922.299 76.136 -15.027 1.00 43.05O
ATOM4295 NVAL A 28022.938 74.007 -15.398 1.00 43.60NATOM4297 CA VAL A 28024.103 74.039 -14.520 1.00 43.89CATOM4299 CB VAL A 28023.868 73.254 -13.217 1.00 43.92CATOM4301 CG1 VAL A 28025.039 73.424 -12.264 1.00 43.85CATOM4305 CG2 VAL A 28022.578 73.732 -12.542 1.00 44.83CATOM4309 CVAL A 28025.270 73.458 -15.301 1.00 44.09CATOM4310 OVAL A 28025.161 72.364 -15.844 1.00 43.73OATOM4311 NALA A 28126.371 74.207 -15.383 1.00 44.64NATOM4313 CA ALA A 28127.555 73.778 -16.130 1.00 45.10CATOM4315 CB ALA A 28128.709 74.763 -15.918 1.00 45.19CATOM4319 CALA A 28127.964 72.367 -15.698 1.00 45.84CATOM4320 OALA A 28128.217 72.138 -14.516 1.00 45.75OATOM4321 NPRO A 28227.992 71.415 -16.633 1.00 46.71NATOM4322 CA PRO A 28228.214 70.005 -16.285 1.00 47.30CATOM4324 CB PRO A 28228.036 69.271 -17.627 1.00 47.25CATOM4327 CG PRO A 28228.246 70.302 -18.684 1.00 47.26CATOM4330 CD PRO A 28227.782 71.598 -18.084 1.00 47.02CATOM4333 CPRO A 28229.588 69.695 -15.657 1.00 47.96CATOM4334 OPRO A 28229.696 68.701 -14.945 1.00 47.63OATOM4335 NASP A 28330.596 70.533 -15.908 1.00 48.90NATOM4337 CA ASP A 28331.924 70.383 -15.310 1.00 49.80CATOM4339 CB ASP A 28332.849 71.516 -15.803 1.00 50.96CATOM4342 CG ASP A 28334.329 71.170 -15.675 1.00 54.79CATOM4343 OD1 ASP A 28334.644 69.967 -15.525 1.00 60.67OATOM4344 OD2 ASP A 28335.245 72.033 -15.723 1.00 58.87OATOM4345 CASP A 28331.877 70.418 -13.774 1.00 48.83CATOM4346 OASP A 28332.595 69.667 -13.124 1.00 48.74OATOM4347 NLEU A 28431.043 71.295 -13.207 1.00 47.53NATOM4349 CA LEU A 28430.942 71.452 -11.754 1.00 46.48CATOM4351 CB LEU A 28430.928 72.953 -11.363 1.00 46.12CATOM4354 CG LEU A 28429.992 74.060 -11.917 1.00 46.20CATOM4356 CD1 LEU A 28429.692 75.134 -10.893 1.00 45.73CATOM4360 CD2 LEU A 28430.581 74.793 -13.093 1.00 47.11CATOM4364 CLEU A 28429.749 70.686 -11.123 1.00 45.72CATOM4365 OLEU A 28429.463 70.850 -9.942 1.00 44.89OATOM4366 NASN A 28529.098 69.829 -11.910 1.00 45.09NATOM4368 CA ASN A 28527.882 69.103 -11.510 1.00 44.84CATOM4370 CB ASN A 28527.039 68.858 -12.781 1.00 44.92CATOM4373 CG ASN A 28525.532 68.683 -12.518 1.00 46.70CATOM4374 OD1 ASN A 28524.812 68.156 -13.382 1.00 49.84OATOM4375 ND2 ASN A 28525.043 69.143 -11.376 1.00 46.85NATOM4378 CASN A 28528.218 67.766 -10.804 1.00 44.19CATOM4379 OASN A 28528.414 66.741 -11.461 1.00 44.54OATOM4380 NTYR A 28628.305 67.781 -9.472 1.00 43.02NATOM4382 CA TYR A 28628.561 66.555 -8.705 1.00 42.01CATOM4384 CB TYR A 28629.042 66.880 -7.280 1.00 41.77CATOM4387 CG TYR A 28629.600 65.668 -6.568 1.00 40.63CATOM4388 CD1 TYR A 28628.802 64.911 -5.708 1.00 39.94CATOM4390 CE1 TYR A 28629.294 63.780 -5.071 1.00 38.90CATOM4392 CZ TYR A 28630.605 63.379 -5.295 1.00 39.41CATOM4393 OH TYR A 28631.091 62.250 -4.675 1.00 38.12OATOM4395 CE2 TYR A 28631.419 64.103 -6.152 1.00 39.48CATOM4397 CD2 TYR A 28630.908 65.246 -6.788 1.00 40.48CATOM4399 CTYR A 28627.341 65.615 -8.642 1.00 41.54CATOM4400 OTYR A 28627.480 64.402 -8.795 1.00 41.17OATOM4401 NTHR A 28726.162 66.189 -8.400 1.00 41.02NATOM4403 CA THR A 28724.907 65.447 -8.278 1.00 40.58CATOM4405 CB THR A 28724.361 65.600 -6.841 1.00 40.47CATOM4407 OG1 THR A 28725.308 65.086 -5.908 1.00 41.46OATOM4409 CG2 THR A 28723.117 64.728 -6.627 1.00 40.27CATOM4413 CTHR A 28723.872 65.985 -9.277 1.00 40.54CATOM4414 OTHR A 28723.198 66.977 -8.989 1.00 39.38OATOM4415 NPRO A 28823.758 65.373 -10.459 1.00 40.86NATOM4416 CA PRO A 28822.667 65.726 -11.381 1.00 41.28CATOM4418 CB PRO A 28822.906 64.822 -12.605 1.00 41.45CATOM4421 CG PRO A 28824.317 64.329 -12.479 1.00 41.62CATOM4424 CD PRO A 28824.643 64.337 -11.015 1.00 41.04CATOM4427 CPRO A 28821.320 65.434 -10.732 1.00 41.26CATOM4428 OPRO A 28821.254 64.538 -9.901 1.00 41.09OATOM4429 NHIS A 28920.291 66.210 -11.046 1.00 41.76NATOM4431 CA HIS A 28918.956 65.933 -10.518 1.00 42.22CATOM4433 CB HIS A 28917.910 66.929 -11.049 1.00 42.77CATOM4436 CG HIS A 28918.167 68.354 -10.619 1.00 45.89CATOM4437 ND1 HIS A 28918.537 69.345 -11.496 1.00 51.93NATOM4439 CE1 HIS A 28918.748 70.474 -10.838 1.00 52.94CATOM4441 NE2 HIS A 28918.549 70.252 -9.557 1.00 49.54NATOM4443 CD2 HIS A 28918.197 68.934 -9.390 1.00 49.42C
ATOM4445 CHIS A 28918.579 64.534 -10.954 1.00 41.73CATOM4446 OHIS A 28918.715 64.206 -12.129 1.00 41.07OATOM4447 NSER A 29018.152 63.699 -10.009 1.00 41.37NATOM4449 CA SER A 29017.651 62.368 -10.327 1.00 41.52CATOM4451 CB SER A 29017.280 61.628 -9.051 1.00 41.39CATOM4454 OG SER A 29016.120 62.209 -8.474 1.00 41.33OATOM4456 CSER A 29016.398 62.486 -11.205 1.00 41.72CATOM4457 OSER A 29015.788 63.557 -11.286 1.00 41.28OATOM4458 NTRP A 29116.024 61.380 -11.844 1.00 42.02NATOM4460 CA TRP A 29114.773 61.282 -12.600 1.00 42.49CATOM4462 CB TRP A 29114.548 59.840 -13.090 1.00 42.90CATOM4465 CG TRP A 29114.370 58.838 -11.971 1.00 44.77CATOM4466 CD1 TRP A 29115.357 58.149 -11.314 1.00 45.98CATOM4468 NE1 TRP A 29114.807 57.345 -10.343 1.00 47.72NATOM4470 CE2 TRP A 29113.443 57.504 -10.348 1.00 48.20CATOM4471 CD2 TRP A 29113.132 58.438 -11.363 1.00 47.98CATOM4472 CE3 TRP A 29111.784 58.783 -11.569 1.00 49.49CATOM4474 CZ3 TRP A 29110.807 58.184 -10.770 1.00 49.43CATOM4476 CH2 TRP A 29111.154 57.261 -9.773 1.00 49.49CATOM4478 CZ2 TRP A 29112.463 56.909 -9.548 1.00 49.12CATOM4480 CTRP A 29113.570 61.757 -11.765 1.00 42.15CATOM4481 OTRP A 29112.677 62.418 -12.285 1.00 42.04OATOM4482 NLEU A 29213.562 61.424 -10.476 1.00 41.85NATOM4484 CA LEU A 29212.444 61.751 -9.595 1.00 41.73CATOM4486 CB LEU A 29212.564 60.984 -8.270 1.00 41.64CATOM4489 CG LEU A 29211.423 61.185 -7.275 1.00 41.82CATOM4491 CD1 LEU A 29210.085 60.755 -7.889 1.00 41.88CATOM4495 CD2 LEU A 29211.695 60.437 -5.985 1.00 42.47CATOM4499 CLEU A 29212.355 63.250 -9.317 1.00 41.60CATOM4500 OLEU A 29211.262 63.816 -9.300 1.00 41.60OATOM4501 NLEU A 29313.498 63.891 -9.098 1.00 41.36NATOM4503 CA LEU A 29313.506 65.329 -8.884 1.00 41.25CATOM4505 CB LEU A 29314.858 65.813 -8.357 1.00 40.88CATOM4508 CG LEU A 29314.926 67.275 -7.882 1.00 41.04CATOM4510 CD1 LEU A 29313.858 67.597 -6.835 1.00 41.22CATOM4514 CD2 LEU A 29316.287 67.573 -7.296 1.00 42.04CATOM4518 CLEU A 29313.129 66.086 -10.161 1.00 41.40CATOM4519 OLEU A 29312.496 67.131 -10.083 1.00 40.97OATOM4520 NARG A 29413.530 65.581 -11.325 1.00 42.02NATOM4522 CA ARG A 29413.103 66.178 -12.601 1.00 43.08CATOM4524 CB ARG A 29413.576 65.357 -13.795 1.00 43.24CATOM4527 CG ARG A 29415.026 65.551 -14.138 1.00 45.82CATOM4530 CD ARG A 29415.302 66.743 -15.039 1.00 48.88CATOM4533 NE ARG A 29416.701 66.720 -15.459 1.00 51.45NATOM4535 CZ ARG A 29417.627 67.612 -15.111 1.00 52.00CATOM4536 NH1 ARG A 29417.324 68.663 -14.361 1.00 52.00NATOM4539 NH2 ARG A 29418.869 67.451 -15.550 1.00 52.15NATOM4542 CARG A 29411.585 66.266 -12.653 1.00 42.87CATOM4543 OARG A 29411.036 67.312 -12.951 1.0O 43.24OATOM4544 NVAL A 29510.919 65.167 -12.329 1.00 43.15NATOM4546 CA VAL A 2959.461 65.106 -12.351 1.00 43.42CATOM4548 CB VAL A 2958.967 63.664 -12.196 1.00 43.55CATOM4550 CG1 VAL A 2957.458 63.619 -11.881 1.00 44.47CATOM4554 CG2 VAL A 2959.285 62.883 -13.458 1.00 43.88CATOM4558 CVAL A 2958.852 65.963 -11.261 1.00 43.41CATOM4559 OVAL A 2957.864 66.645 -11.508 1.00 43.77OATOM4560 NVAL A 2969.438 65.933 -10.064 1.00 43.24NATOM4562 CA VAL A 2968.933 66.715 -8.935 1.00 43.25CATOM4564 CB VAL A 2969.698 66.384 -7.617 1.00 43.32CATOM4566 CG1 VAL A 2969.524 67.491 -6.575 1.00 44.01CATOM4570 CG2 VAL A 2969.234 65.060 -7.052 1.00 43.03CATOM4574 CVAL A 2968.996 68.222 -9.215 1.00 43.22CATOM4575 OVAL A 2968.048 68.961 -8.925 1.00 43.25OATOM4576 NTYR A 29710.110 68.675 -9.776 1.00 42.95NATOM4578 CA TYR A 29710.301 70.095 -10.052 1.00 42.88CATOM4580 CB TYR A 29711.787 70.433 -10.277 1.00 42.73CATOM4583 CG TYR A 29712.559 70.942 -9.058 1.00 42.62CATOM4584 CD1 TYR A 29713.951 70.837 -9.002 1.00 42.98CATOM4586 CE1 TYR A 29714.669 71.313 -7.906 1.00 42.34CATOM4588 CZ TYR A 29713.991 71.894 -6.858 1.00 42.66CATOM4589 OH TYR A 29714.653 72.372 -5.759 1.00 42.81OATOM4591 CE2 TYR A 29712.627 72.011 -6.893 1.00 43.44CATOM4593 CD2 TYR A 29711.918 71.546 -7.987 1.00 42.79CATOM4595 CTYR A 2979.479 70.535 -11.264 1.00 43.02CATOM4596 OTYR A 2979.022 71.663 -11.312 1.00 42.66OATOM4597 NALA A 2989.300 69.660 -12.248 1.00 43.07NATOM4599 CA ALA A 2988.397 69.969 -13.360 1.00 43.41C
ATOM4601 CB ALA A 2988.289 68.786 -14.315 1.00 43.33 CATOM4605 CALA A 2987.019 70.350 -12.816 1.00 43.57 CATOM4606 OALA A 2986.443 71.365 -13.220 1.00 43.77 OATOM4607 NLEU A 2996.521 69.552 -11.869 1.00 43.77 NATOM4609 CA LEU A 2995.190 69.749 -11.278 1.00 43.80 CATOM4611 CB LEU A 2994.704 68.461 -10.586 1.00 44.17 CATOM4614 CG LEU A 2994.332 67.264 -11.483 1.00 45.40 CATOM4616 CD1 LEU A 2994.136 66.000 -10.644 1.00 45.48 CATOM4620 CD2 LEU A 2993.079 67.550 -12.324 1.00 46.59 CATOM4624 CLEU A 2995.139 70.904 -10.283 1.00 43.47 CATOM4625 OLEU A 2994.134 71.617 -10.216 1.00 43.66 OATOM4626 NLEU A 3006.201 71.091 -9.503 1.00 42.95 NATOM4628 CA LEU A 3006.218 72.139 -8.485 1.00 42.50 CATOM4630 CB LEU A 3007.294 71.859 -7.432 1.00 42.84 CATOM4633 CG LEU A 3007.006 70.737 -6.427 1.00 43.11 CATOM4635 CD1 LEU A 3008.178 70.592 -5.469 1.00 43.68 CATOM4639 CD2 LEU A 3005.725 70.982 -5.666 1.00 42.97 CATOM4643 CLEU A 3006.425 73.526 -9.083 1.00 42.05 CATOM4644 OLEU A 3005.943 74.509 -8.541 1.00 41.73 OATOM4645 NASN A 3017.159 73.614 -10.186 1.00 41.97 NATOM4647 CA ASN A 3017.284 74.876 -10.914 1.00 42.12 CATOM4649 CB ASN A 3018.383 74.799 -11.996 1.00 41.80 CATOM4652 CG ASN A 3019.794 74.945 -11.419 1.00 40.71 CATOM4653 OD1 ASN A 30110.043 75.791 -10.562 1.00 39.52 OATOM4654 ND2 ASN A 30110.714 74.130 -11.902 1.00 36.42 NATOM4657 CASN A 3015.933 75.262 -11.544 1.00 42.62 CATOM4658 OASN A 3015.629 76.442 -11.697 1.00 42.51 OATOM4659 NLEU A 3025.128 74.257 -11.892 1.00 43.23 NATOM4661 CA LEU A 3023.780 74.493 -12.405 1.00 43.76 CATOM4663 CB LEU A 3023.150 73.203 -12.953 1.00 44.12 CATOM4666 CG LEU A 3022.326 73.267 -14.250 1.00 45.54 CATOM4668 CD1 LEU A 3021.248 72.193 -14.251 1.00 45.50 CATOM4672 CD2 LEU A 3021.702 74.646 -14.512 1.00 46.48 CATOM4676 CLEU A 3022.900 75.078 -11.315 1.00 43.80 CATOM4677 OLEU A 3022.226 76.077 -11.550 1.00 43.68 OATOM4678 NTYR A 3032.927 74.467 -10.123 1.00 44.00 NATOM4680 CA TYR A 3032.217 74.998 -8.961 1.00 44.17 CATOM4682 CB TYR A 3032.378 74.101 -7.720 1.00 44.36 CATOM4685 CG TYR A 3031.693 74.722 -6.527 1.00 45.92 CATOM4686 CD1 TYR A 3032.417 75.398 -5.546 1.00 46.72 CATOM4688 CE1 TYR A 3031.774 76.011 -4.476 1.00 47.96 CATOM4690 CZ TYR A 3030.381 75.971 -4.401 1.00 48.77 CATOM4691 OH TYR A 303-0.294 76.573 -3.356 1.00 48.90 OATOM4693 CE2 TYR A 303-0.346 75.320 -5.375 1.00 47.98 CATOM4695 CD2 TYR A 3030.307 74.712 -6.431 1.00 47.34 CATOM4697 CTYR A 3032.682 76.414 -8.615 1.00 44.46 CATOM4698 OTYR A 3031.884 77.252 -8.186 1.00 44.11 OATOM4699 NGLU A 3043.975 76.675 -8.809 1.00 44.67 NATOM4701 CA GLU A 3044.556 77.972 -8.502 1.00 44.76 CATOM4703 CB GLU A 3046.055 77.987 -8.833 1.00 44.62 CATOM4706 CG GLU A 3046.723 79.326 -8.597 1.00 43.14 CATOM4709 CD GLU A 3046.700 79.723 -7.146 1.00 42.52 CATOM4710 OE1 GLU A 3046.792 78.825 -6.278 1.00 42.84 OATOM4711 OE2 GLU A 3046.582 80.927 -6.869 1.00 41.47 OATOM4712 CGLU A 3043.856 79.054 -9.303 1.00 45.27 CATOM4713 OGLU A 3043.521 80.105 -8.774 1.00 44.82 OATOM4714 NHIS A 3053.656 78.790 -10.589 1.00 46.36 NATOM4716 CA HIS A 3052.961 79.730 -11.461 1.00 47.26 CATOM4718 CB HIS A 3052.938 79.222 -12.899 1.00 47.60 CATOM4721 CG HIS A 3052.555 80.271 -13.901 1.00 49.74 CATOM4722 ND1 HIS A 3053.461 81.166 -14.429 1.00 51.51 NATOM4724 CE1 HIS A 3052.842 81.972 -15.274 1.00 52.04 CATOM4726 NE2 HIS A 3051.566 81.631 -15.317 1.00 51.70 NATOM4728 CD2 HIS A 3051.360 80.569 -14.469 1.00 51.24 CATOM4730 CHIS A 3051.537 80.006 -10.963 1.00 47.26 CATOM4731 OHIS A 3051.106 81.155 -10.934 1.00 47.74 OATOM4732 NHIS A 3060.821 78.965 -10.544 1.00 47.25 NATOM4734 CA HIS A 306-0.564 79.114 -10.096 1.00 47.34 CATOM4736 CB HIS A 306-1.446 78.047 -10.735 1.00 47.27 CATOM4739 CG HIS A 306-1.329 77.989 -12.221 1.00 46.32 CATOM4740 ND1 HIS A 306-0.465 77.126 -12.850 1.00 46.19 NATOM4742 CE1 HIS A 306-0.547 77.302 -14.152 1.00 45.75 CATOM4744 NE2 HIS A 306-1.434 78.248 -14.395 1.00 44.71 NATOM4746 CD2 HIS A 306-1.934 78.703 -13.199 1.00 45.32 CATOM4748 CHIS A 306-0.702 79.015 -8.593 1.00 47.79 CATOM4749 OHIS A 306-1.718 78.531 -8.108 1.00 47.99 OATOM4750 NHIS A 3070.302 79.483 -7.852 1.00 48.00 N
ATOM4752 CA HIS A 3070.317 79.274-6.408 1.00 48.13CATOM4754 CB HIS A 3071.700 79.583-5.787 1.00 47.99CATOM4757 CG HIS A 3072.018 81.044-5.663 1.00 47.66CATOM4758 ND1 HIS A 3071.549 81.825-4.629 1.00 47.83NATOM4760 CE1 HIS A 3072.000 83.061-4.767 1.00 47.81CATOM4762 NE2 HIS A 3072.762 83.105-5.843 1.00 46.45NATOM4764 CD2 HIS A 3072.799 81.855-6.416 1.00 46.89CATOM4766 CHIS A 307-0.810 80.040-5.721 1.00 48.33CATOM4767 OHIS A 307-1.181 81.133-6.142 1.00 48.37OATOM4768 NSER A 308-1.355 79.428-4.673 1.00 48.74NATOM4770 CA SER A 308-2.378 80.039-3.829 1.00 48.98CATOM4772 CB SER A 308-3.048 78.964-2.956 1.00 48.99CATOM4775 OG SER A 308-3.676 79.536-1.822 1.00 47.91OATOM4777 CSER A 308-1.754 81.107-2.938 1.00 49.56CATOM4778 OSER A 308-0.940 80.790-2.063 1.00 49.71OATOM4779 NALA A 309-2.146 82.363-3.156 1.00 50.10NATOM4781 CA ALA A 309-1.585 83.505-2.430 1.00 50.42CATOM4783 CB ALA A 309-2.160 84.808-2.967 1.00 50.42CATOM4787 CALA A 309-1.831 83.403-0.927 1.00 50.79CATOM4788 OALA A 309-0.970 83.774-0.124 1.00 50.52OATOM4789 NHIS A 310-3.004 82.890-0.561 1.00 51.15NATOM4791 CA HIS A 310-3.378 82.7250.842 1.00 51.55CATOM4793 CB HIS A 310-4.861 82.3390.971 1.00 51.84CATOM4796 CG HIS A 310-5.211 81.7692.309 1.00 53.47CATOM4797 ND1 HIS A 310-5.187 82.5213.464 1.00 56.25NATOM4799 CE1 HIS A 310-5.518 81.7544.493 1.00 56.98CATOM4801 NE2 HIS A 310-5.738 80.5314.046 1.00 56.46NATOM4803 CD2 HIS A 310-5.552 80.5122.683 1.00 55.16CATOM4805 CHIS A 310-2.510 81.6831.564 1.00 51.10CATOM4806 OHIS A 310-2.114 81.8822.713 1.00 51.35OATOM4807 NLEU A 311-2.236 80.5690.897 1.00 50.65NATOM4809 CA LEU A 311-1.394 79.5271.476 1.00 50.51CATOM4811 CB LEU A 311-1.496 78.2290.672 1.00 50.64CATOM4814 CG LEU A 311-2.554 77.2711.217 1.00 52.51CATOM4816 CD1 LEU A 311-2.945 76.2370.155 1.00 53.53CATOM4820 CD2 LEU A 311-2.074 76.5952.499 1.00 53.35CATOM4824 CLEU A 3110.071 79.9681.594 1.00 49.53CATOM4825 OLEU A 3110.750 79.5912.542 1.00 48.78OATOM4826 NARG A 3120.539 80.7680.637 1.00 48.97NATOM4828 CA ARG A 3121.905 81.3020.672 1.00 48.57CATOM4830 CB ARG A 3122.265 81.982-0.650 1.00 48.31CATOM4833 CG ARG A 3123.640 82.647-0.632 1.00 47.62CATOM4836 CD ARG A 3124.418 82.529-1.914 1.00 46.36CATOM4839 NE ARG A 3124.553 81.145-2.348 1.00 44.49NATOM4841 CZ ARG A 3125.195 80.772-3.446 1.00 42.48CATOM4842 NH1 ARG A 3125.792 81.671-4.210 1.00 42.34NATOM4845 NH2 ARG A 3125.253 79.493-3.772 1.00 42.13NATOM4848 CARG A 3122.115 82.2851.826 1.00 48.53CATOM4849 OARG A 3123.178 82.2972.432 1.00 48.46OATOM4850 NGLN A 3131.112 83.1062.121 1.00 48.34NATOM4852 CA GLN A 3131.172 84.0183.266 1.00 48.71CATOM4854 CB GLN A 313-0.087 84.9013.314 1.00 49.23CATOM4857 CG GLN A 3130.045 86.1694.148 1.00 51.68CATOM4860 CD GLN A 313-1.292 86.9124.348 1.00 55.74CATOM4861 OE1 GLN A 313-2.285 86.6193.668 1.00 58.21OATOM4862 NE2 GLN A 313-1.306 87.8725.276 1.00 57.37NATOM4865 CGLN A 3131.329 83.2174.571 1.00 48.17CATOM4866 OGLN A 3132.058 83.6195.477 1.00 48.03OATOM4867 NARG A 3140.654 82.0744.642 1.00 47.70NATOM4869 CA ARG A 3140.734 81.1795.793 1.00 47.63CATOM4871 CB ARG A 314-0.362 80.1135.693 1.00 48.14CATOM4874 CG ARG A 314-0.923 79.6867.026 1.00 50.81CATOM4877 CD ARG A 314-2.418 79.3096.990 1.00 54.03CATOM4880 NE ARG A 314-2.650 78.0026.375 1.00 56.04NATOM4882 CZ ARG A 314-2.304 76.8266.914 1.00 58.65CATOM4883 NH1 ARG A 314-1.702 76.7608.107 1.00 59.52NATOM4886 NH2 ARG A 314-2.560 75.6976.252 1.00 58.52NATOM4889 CARG A 3142.103 80.4935.924 1.00 46.44CATOM4890 OARG A 3142.612 80.3037.031 1.00 45.86OATOM4891 NALA A 3152.681 80.1104.793 1.00 45.30NATOM4893 CA ALA A 3153.981 79.4574.784 1.00 44.97CATOM4895 CB ALA A 3154.263 78.8103.432 1.00 44.89CATOM4899 CALA A 3155.062 80.4685.144 1.00 44.53CATOM4900 OALA A 3155.921 80.1865.980 1.00 44.20OATOM4901 NVAL A 3164.988 81.6504.533 1.00 44.18NATOM4903 CA VAL A 3165.905 82.7554.824 1.00 44.04CATOM4905 CB VAL A 3165.525 84.0364.045 1.00 44.01C
ATOM4907 CG1 VAL A 3166.170 85.2694.659 1.00 44.35 CATOM4911 CG2 VAL A 3165.926 83.9112.582 1.00 44.46 CATOM4915 CVAL A 3165.936 83.0636.319 1.00 43.80 CATOM4916 OVAL A 3167.004 83.3036.874 1.00 43.59 OATOM4917 NGLN A 3174.773 83.0516.964 1.00 43.29 NATOM4919 CA GLN A 3174.675 83.3758.386 1.00 43.24 CATOM4921 CB GLN A 3173.201 83.5978.788 1.00 43.68 CATOM4924 CG GLN A 3172.942 83.94510.260 1.00 45.51 CATOM4927 CD GLN A 3173.769 85.12610.779 1.00 48.25 CATOM4928 OE1 GLN A 3173.751 86.21310.187 1.00 49.97 OATOM4929 NE2 GLN A 3174.470 84.91111.892 1.00 49.37 NATOM4932 CGLN A 3175.333 82.2919.252 1.00 42.37 CATOM4933 OGLN A 3175.992 82.60610.251 1.00 41.98 OATOM4934 NLYS A 3185.162 81.0288.864 1.00 41.31 NATOM4936 CA LYS A 3185.808 79.9189.567 1.00 40.79 CATOM4938 CB LYS A 3185.188 78.5799.172 1.00 40.52 CATOM4941 CG LYS A 3185.803 77.3939.908 1.00 40.07 CATOM4944 CD LYS A 3185.128 76.0989.566 1.00 39.65 CATOM4947 CE LYS A 3185.587 74.98810.484 1.00 39.01 CATOM4950 NZ LYS A 3184.883 73.70910.200 1.00 39.02 NATOM4954 CLYS A 3187.334 79.8949.322 1.00 40.42 CATOM4955 OLYS A 3188.100 79.65210.241 1.00 40.30 OATOM4956 NLEU A 3197.769 80.1418.095 1.00 40.16 NATOM4958 CA LEU A 3199.204 80.2647.816 1.00 40.17 CATOM4960 CB LEU A 3199.465 80.6496.351 1.00 40.10 CATOM4963 CG LEU A 3199.023 79.7045.225 1.00 40.02 CATOM4965 CD1 LEU A 3199.505 80.2303.899 1.00 41.12 CATOM4969 CD2 LEU A 3199.498 78.2835.406 1.00 40.22 CATOM4973 CLEU A 3199.820 81.2968.755 1.00 39.74 CATOM4974 OLEU A 31910.805 81.0119.419 1.00 39.21 OATOM4975 NTYR A 3209.193 82.4678.852 1.00 39.98 NATOM4977 CA TYR A 3209.701 83.5769.675 1.00 40.28 CATOM4979 CB TYR A 3208.810 84.8339.552 1.00 40.34 CATOM4982 CG TYR A 3209.257 86.00810.413 1.00 40.20 CATOM4983 CD1 TYR A 3208.475 86.46011.474 1.00 41.10 CATOM4985 CE1 TYR A 3208.884 87.53812.275 1.00 41.18 CATOM4987 CZ TYR A 32010.097 88.16312.009 1.00 41.23 CATOM4988 OH TYR A 32010.512 89.21812.795 1.00 41.80 OATOM4990 CE2 TYR A 32010.892 87.72310.962 1.00 39.61 CATOM4992 CD2 TYR A 32010.470 86.66010.169 1.00 39.31 CATOM4994 CTYR A 3209.828 83.17411.134 1.00 40.48 CATOM4995 OTYR A 32010.799 83.53311.799 1.00 40.33 OATOM4996 NGLU A 3218.850 82.43211.625 1.00 40.68 NATOM4998 CA GLU A 3218.814 82.02913.026 1.00 41.23 CATOM5000 CB GLU A 3217.467 81.36913.336 1.00 41.86 CATOM5003 CG GLU A 3216.996 81.53914.774 1.00 45.87 CATOM5006 CD GLU A 3215.936 80.50915.189 1.00 49.71 CATOM5007 OE1 GLU A 3215.164 80.03914.312 1.00 51.02 OATOM5008 OE2 GLU A 3215.895 80.16916.400 1.00 52.07 OATOM5009 CGLU A 3219.964 81.06613.336 1.00 40.05 CATOM5010 OGLU A 32110.590 81.15314.380 1.00 39.47 OATOM5011 NHIS A 32210.237 80.15412.416 1.00 39.31 NATOM5013 CA HIS A 32211.332 79.21512.577 1.00 39.15 CATOM5015 CB HIS A 32211.175 78.06711.577 1.00 39.46 CATOM5018 CG HIS A 32210.138 77.06911.987 1.00 39.81 CATOM5019 ND1 HIS A 3228.903 77.44312.482 1.00 41.47 NATOM5021 CE1 HIS A 3228.215 76.36512.796 1.00 41.30 CATOM5023 NE2 HIS A 3228.9 56 75.30912.530 1.00 40.69 NATOM5025 CD2 HIS A 32210.169 75.72012.048 1.00 40.05 CATOM5027 CHIS A 32212.712 79.89212.463 1.00 38.40 CATOM5028 OHIS A 32213.667 79.47913.113 1.00 37.87 OATOM5029 NILE A 32312.779 80.96611.682 1.00 38.20 NATOM5031 CA ILE A 32313.985 81.78911.588 1.00 37.74 CATOM5033 CB ILE A 32313.924 82.73810.374 1.00 37.43 CATOM5035 CG1 ILE A 32313.937 81.9439.075 1.00 37.60 CATOM5038 CD1 ILE A 32313.544 82.7537.856 1.00 38.02 CATOM5042 CG2 ILE A 32315.112 83.69910.374 1.00 37.92 CATOM5046 CILE A 32314.211 82.58412.871 1.00 37.32 CATOM5047 OILE A 32315.343 82.71013.331 1.00 37.19 OATOM5048 NVAL A 32413.133 83.10413.447 1.00 36.98 NATOM5050 CA VAL A 32413.197 83.86314.694 1.00 36.88 CATOM5052 CB VAL A 32411.808 84.49515.056 1.00 37.10 CATOM5054 CG1 VAL A 32411.744 84.98216.511 1.00 37.04 CATOM5058 CG2 VAL A 32411.505 85.65014.119 1.00 37.46 CATOM5062 CVAL A 32413.685 82.92815.787 1.00 37.01 CATOM5063 OVAL A 32414.520 83.31216.617 1.00 37.04 OATOM5064 NALA A 32513.193 81.69215.753 1.00 36.96 N
ATOM5066 CA ALA A 32513.574 80.673 16.711 1.00 37.09 CATOM5068 CB ALA A 32512.747 79.428 16.491 1.00 36.98 CATOM5072 CALA A 32515.078 80.339 16.660 1.00 37.54 CATOM5073 OALA A 32515.723 80.236 17.694 1.00 37.78 OATOM5074 NASP A 32615.642 80.190 15.470 1.00 37.80 NATOM5076 CA ASP A 32617.059 79.847 15.351 1.00 37.91 CATOM5078 CB ASP A 32617.402 79.504 13.896 1.00 37.93 CATOM5081 CG ASP A 32618.883 79.190 13.691 1.00 38.44 CATOM5082 OD1 ASP A 32619.381 78.190 14.261 1.00 36.69 OATOM5083 OD2 ASP A 32619.610 79.895 12.967 1.00 38.35 OATOM5084 CASP A 32617.912 81.000 15.881 1.00 38.12 CATOM5085 OASP A 32618.883 80.782 16.586 1.00 37.65 OATOM5086 NASP A 32717.510 82.233 15.574 1.00 38.89 NATOM5088 CA ASP A 32718.197 83.422 16.077 1.00 39.07 CATOM5090 CB ASP A 32717.546 84.689 15.519 1.00 39.29 CATOM5093 CG ASP A 32717.769 84.859 14.019 1.00 39.79 CATOM5094 OD1 ASP A 32718.527 84.063 13.421 1.00 38.34 OATOM5095 OD2 ASP A 32717.237 85.789 13.360 1.00 39.60 OATOM5096 CASP A 32718.211 83.486 17.608 1.00 39.60 CATOM5097 OASP A 32719.224 83.864 18.202 1.00 39.18 OATOM5098 NARG A 32817.094 83.109 18.240 1.00 39.97 NATOM5100 CA ARG A 32816.986 83.107 19.707 1.00 40.58 CATOM5102 CB ARG A 32815.533 82.889 20.169 1.00 41.28 CATOM5105 CG ARG A 32814.564 83.973 19.707 1.00 45.60 CATOM5108 CD ARG A 32813.480 84.390 20.717 1.00 50.78 CATOM5111 NE ARG A 32813.301 85.848 20.710 1.00 55.76 NATOM5113 CZ ARG A 32814.028 86.727 21.421 1.00 59.12 CATOM5114 NH1 ARG A 32815.007 86.324 22.232 1.00 60.22 NATOM5117 NH2 ARG A 32813.768 88.030 21.320 1.00 60.49 NATOM5120 CARG A 32817.851 82.032 20.326 1.00 39.22 CATOM5121 OARG A 32818.559 82.273 21.289 1.00 39.38 OATOM5122 NPHE A 32917.796 80.845 19.751 1.00 38.68 NATOM5124 CA PHE A 32918.478 79.676 20.294 1.00 38.14 CATOM5126 CB PHE A 32917.957 78.420 19.587 1.00 38.20 CATOM5129 CG PHE A 32916.487 78.104 19.843 1.00 39.43 CATOM5130 CD1 PHE A 32915.748 78.746 20.847 1.00 39.90 CATOM5132 CE1 PHE A 32914.392 78.423 21.070 1.00 40.26 CATOM5134 CZ PHE A 32913.784 77.459 20.309 1.00 39.89 CATOM5136 CE2 PHE A 32914.514 76.801 19.305 1.00 40.42 CATOM5138 CD2 PHE A 32915.852 77.128 19.077 1.00 39.05 CATOM5140 CPHE A 32920.019 79.740 20.173 1.00 37.61 CATOM5141 OPHE A 32920.727 79.007 20.866 1.00 36.92 OATOM5142 NTHR A 33020.520 80.617 19.300 1.00 37.25 NATOM5144 CA THR A 33021.948 80.676 18.939 1.00 36.84 CATOM5146 CB THR A 33022.145 80.240 17.461 1.00 36.59 CATOM5148 OG1 THR A 33021.527 81.201 16.599 1.00 35.01 OATOM5150 CG2 THR A 33021.421 78.950 17.146 1.00 36.35 CATOM5154 CTHR A 33022.560 82.067 19.079 1.00 36.90 CATOM5155 OTHR A 33023.714 82.292 18.653 1.00 37.14 OATOM5156 NLYS A 33121.808 83.004 19.656 1.00 36.76 NATOM5158 CA LYS A 33122.254 84.391 19.768 1.00 36.50 CATOM5160 CB LYS A 33123.303 84.508 20.877 1.00 37.05 CATOM5163 CG LYS A 33122.725 84.232 22.262 1.00 38.87 CATOM5166 CD LYS A 33123.691 84.552 23.394 1.00 41.49 CATOM5169 CE LYS A 33123.136 84.069 24.748 1.00 42.83 CATOM5172 NZ LYS A 33124.232 83.808 25.726 1.00 44.95 NATOM5176 CLYS A 33122.761 84.940 18.414 1.00 36.08 CATOM5177 OLYS A 33123.801 85.592 18.334 1.00 35.75 OATOM5178 NSER A 33221.998 84.637 17.364 1.00 35.72 NATOM5180 CA SER A 33222.232 85.091 15.994 1.00 35.83 CATOM5182 CB SER A 33222.175 86.618 15.908 1.00 35.81 CATOM5185 OG SER A 33220.894 87.083 16.334 1.00 37.69 OATOM5187 CSER A 33223.505 84.546 15.335 1.00 35.41 CATOM5188 OSER A 33224.010 85.136 14.383 1.00 35.67 OATOM5189 NILE A 33323.987 83.404 15.815 1.00 34.93 NATOM5191 CA ILE A 33325.110 82.709 15.202 1.00 34.30 CATOM5193 CB ILE A 33325.969 82.027 16.300 1.00 34.30 CATOM5195 CG1 ILE A 33326.616 83.063 17.214 1.00 33.09 CATOM5198 CD1 ILE A 33327.074 82.476 18.562 1.00 32.86 CATOM5202 CG2 ILE A 33327.040 81.105 15.688 1.00 34.44 CATOM5206 CILE A 33324.598 81.661 14.202 1.00 34.33 CATOM5207 OILE A 33325.287 81.330 13.233 1.00 34.00 OATOM5208 NSER A 33423.390 81.145 14.440 1.00 34.23 NATOM5210 CA SER A 33422.849 79.992 13.696 1.00 34.29 CATOM5212 CB SER A 33422.590 80.367 12.231 1.00 34.16 CATOM5215 OG SER A 33421.743 79.413 11.599 1.00 33.78 OATOM5217 CSER A 33423.778 78.768 13.787 1.00 34.31 C
ATOM5218 OSER A 33424.672 78.73114.625 1.00 34.92OATOM5219 NILE A 33523.559 77.78112.915 1.00 34.71NATOM5221 CA ILE A 33524.360 76.54412.861 1.00 34.24CATOM5223 CB ILE A 33523.476 75.36312.349 1.00 33.84CATOM5225 CG1 ILE A 33524.179 74.02212.576 1.00 34.44CATOM5228 CD1 ILE A 33523.372 72.82712.167 1.00 35.11CATOM5232 CG2 ILE A 33523.111 75.51310.868 1.00 34.16CATOM5236 CILE A 33525.642 76.67312.007 1.00 34.20CATOM5237 OILE A 33526.581 75.87512.138 1.00 33.77OATOM5238 NGLY A 33625.659 77.66111.122 1.00 34.34NATOM5240 CA GLY A 33626.778 77.86210.207 1.00 34.43CATOM5243 CGLY A 33626.668 79.2189.544 1.00 34.30CATOM5244 OGLY A 33625.703 79.9329.792 1.00 34.83OATOM5245 NPRO A 33727.639 79.5918.717 1.00 34.23NATOM5246 CA PRO A 33727.667 80.9438.134 1.00 34.45CATOM5248 CB PRO A 33729.043 80.9957.450 1.00 34.38CATOM5251 CG PRO A 33729.356 79.5527.145 1.00 34.40CATOM5254 CD PRO A 33728.795 78.7798.294 1.00 34.09CATOM5257 CPRO A 33726.551 81.2587.111 1.00 34.18CATOM5258 OPRO A 33726.070 82.3857.060 1.00 34.39OATOM5259 NILE A 33826.177 80.2936.288 1.00 34.07NATOM5261 CA ILE A 33825.169 80.5175.257 1.00 34.54CATOM5263 CB ILE A 33825.101 79.3184.298 1.00 34.54CATOM5265 CG1 ILE A 33826.434 79.1463.567 1.00 35.25CATOM5268 CD1 ILE A 33826.668 77.7283.172 1.00 37.10CATOM5272 CG2 ILE A 33823.980 79.4953.266 1.00 34.30CATOM5276 CILE A 33823.799 80.7805.893 1.00 34.71CATOM5277 OILE A 33823.200 81.8285.664 1.00 34.87OATOM5278 NSER A 33923.316 79.8406.700 1.00 34.88NATOM5280 CA SER A 33922.042 80.0307.406 1.00 34.71CATOM5282 CB SER A 33921.711 78.8288.315 1.00 34.74CATOM5285 OG SER A 33922.669 78.6699.347 1.00 34.43OATOM5287 CSER A 33922.063 81.3418.181 1.00 34.68CATOM5288 OSER A 33921.106 82.1038.121 1.00 35.24OATOM5289 NLYS A 34023.167 81.6278.872 1.00 34.34NATOM5291 CA LYS A 34023.325 82.8939.604 1.00 34.00CATOM5293 CB LYS A 34024.727 82.99210.215 1.00 34.02CATOM5296 CG LYS A 34024.938 84.18911.140 1.00 33.63CATOM5299 CD LYS A 34025.391 85.44410.384 1.00 33.77CATOM5302 CE LYS A 34025.893 86.50011.319 1.00 34.29CATOM5305 NZ LYS A 34024.839 86.86812.293 1.00 34.79NATOM5309 CLYS A 34023.134 84.1088.715 1.00 33.99CATOM5310 OLYS A 34022.444 85.0749.074 1.00 33.67OATOM5311 NTHR A 34123.813 84.0767.578 1.00 33.82NATOM5313 CA THR A 34123.825 85.1896.650 1.00 33.86CATOM5315 CB THR A 34124.840 84.9085.508 1.00 33.96CATOM5317 OG1 THR A 34126.179 84.9586.030 1.00 34.11OATOM5319 CG2 THR A 34124.815 86.0024.467 1.00 33.89CATOM5323 CTHR A 34122.425 85.4606.096 1.00 33.78CATOM5324 OTHR A 34121.970 86.6036.117 1.00 33.39OATOM5325 NILE A 34221.740 84.4175.631 1.00 33.45NATOM5327 CA ILE A 34220.415 84.6085.040 1.00 33.80CATOM5329 CB ILE A 34219.938 83.4034.204 1.00 33.44CATOM5331 CG1 ILE A 34221.038 82.8523.294 1.00 32.89CATOM5334 CD1 ILE A 34220.605 81.6332.504 1.00 31.72CATOM5338 CG2 ILE A 34218.761 83.8203.312 1.00 34.58CATOM5342 CILE A 34219.399 84.9646.140 1.00 34.28CATOM5343 OILE A 34218.496 85.7685.905 1.00 34.15OATOM5344 NASN A 34319.566 84.4157.342 1.00 34.69NATOM5346 CA ASN A 34318.743 84.8398.480 1.00 35.43CATOM5348 CB ASN A 34319.130 84.0969.766 1.00 35.56CATOM5351 CG ASN A 34318.612 82.6649.804 1.00 36.28CATOM5352 OD1 ASN A 34318.116 82.1328.808 1.00 36.52OATOM5353 ND2 ASN A 34318.740 82.02910.958 1.00 37.35NATOM5356 CASN A 34318.869 86.3478.695 1.00 35.50CATOM5357 OASN A 34317.874 87.0668.846 1.00 35.62OATOM5358 NMET A 34420.106 86.8278.697 1.00 35.93NATOM5360 CA MET A 34420.393 88.2478.884 1.00 35.70CATOM5362 CB MET A 34421.887 88.5088.705 1.00 35.66CATOM5365 CG MET A 34422.292 89.9658.788 1.00 35.87CATOM5368 SD MET A 34424.045 90.0839.198 1.00 39.15SATOM5369 CE MET A 34424.054 91.5659.795 1.00 42.45CATOM5373 CMET A 34419.606 89.0717.871 1.00 35.81CATOM5374 OMET A 34418.978 90.0598.224 1.00 35.57OATOM5375 NLEU A 34519.669 88.6556.613 1.00 36.10NATOM5377 CA LEU A 34518.961 89.3265.535 1.00 36.39CATOM5379 CB LEU A 34519.313 88.6664.201 1.00 36.29C
ATOM5382 CG LEU A 34518.633 89.1832.934 1.00 36.05CATOM5384 CD1 LEU A 34518.934 90.6372.726 1.00 36.05CATOM5388 CD2 LEU A 34519.089 88.3641.751 1.00 37.02CATOM5392 CLEU A 34517.441 89.3225.764 1.00 36.72CATOM5393 OLEU A 34516.784 90.3215.512 1.00 37.39OATOM5394 NVAL A 34616.893 88.2116.249 1.00 37.00NATOM5396 CA VAL A 34615.461 88.1186.556 1.00 37.04CATOM5398 CB VAL A 34615.034 86.6626.897 1.00 36.93CATOM5400 CG1 VAL A 34613.582 86.6077.448 1.00 37.30CATOM5404 CG2 VAL A 34615.126 85.7965.680 1.00 35.80CATOM5408 CVAL A 34615.050 89.0777.681 1.00 37.37CATOM5409 OVAL A 34614.037 89.7627.562 1.00 37.53OATOM5410 NARG A 34715.827 89.1308.761 1.00 37.82NATOM5412 CA ARG A 34715.554 90.0469.866 1.00 37.88CATOM5414 CB ARG A 34716.452 89.75311.081 1.00 38.15CATOM5417 CG ARG A 34716.440 88.32011.605 1.00 37.87CATOM5420 CD ARG A 34715.065 87.73511.854 1.00 37.58CATOM5423 NE ARG A 34714.337 88.43912.903 1.00 36.90NATOM5425 CZ ARG A 34714.357 88.14014.201 1.00 37.46CATOM5426 NH1 ARG A 34715.067 87.13114.672 1.00 37.48NATOM5429 NH2 ARG A 34713.642 88.87215.051 1.00 39.23NATOM5432 CARG A 34715.731 91.5169.449 1.00 38.41CATOM5433 OARG A 34715.064 92.4039.991 1.00 38.39OATOM5434 NTRP A 34816.629 91.7928.505 1.00 38.24NATOM5436 CA TRP A 34816.730 93.1477.959 1.00 38.45CATOM5438 CB TRP A 34817.908 93.2806.990 1.00 38.22CATOM5441 CG TRP A 34817.874 94.5776.200 1.00 37.66CATOM5442 CD1 TRP A 34818.315 95.7986.617 1.00 36.79CATOM5444 NE1 TRP A 34818.116 96.7405.639 1.00 37.47NATOM5446 CE2 TRP A 34817.529 96.1394.557 1.00 38.47CATOM5447 CD2 TRP A 34817.351 94.7734.883 1.00 37.35CATOM5448 CE3 TRP A 34816.759 93.9343.935 1.00 37.90CATOM5450 CZ3 TRP A 34816.370 94.4742.709 1.00 37.79CATOM5452 CH2 TRP A 34816.552 95.8362.425 1.00 37.78CATOM5454 CZ2 TRP A 34817.130 96.6823.331 1.00 38.00CATOM5456 CTRP A 34815.435 93.5157.220 1.00 38.47CATOM5457 OTRP A 34814.932 94.6327.338 1.00 38.14OATOM5458 NTYR A 34914.926 92.5626.447 1.00 39.00NATOM5460 CA TYR A 34913.768 92.7735.581 1.00 39.40CATOM5462 CB TYR A 34913.522 91.5944.613 1.00 39.29CATOM5465 CG TYR A 34912.484 91.7093.610 1.00 40.26CATOM5466 CD1 TYR A 34911.273 91.0583.822 1.00 40.67CATOM5468 CE1 TYR A 34910.229 91.1582.907 1.00 40.70CATOM5470 CZ TYR A 34910.394 91.9121.768 1.00 42.01CATOM5471 OH TYR A 3499.374 92.0100.857 1.00 41.37OATOM5473 CE2 TYR A 34911.594 92.5641.530 1.00 41.38CATOM5475 CD2 TYR A 34912.625 92.4562.449 1.00 41.07CATOM5477 CTYR A 34912.494 92.9696.398 1.00 39.57CATOM5478 OTYR A 34911.709 93.8536.101 1.00 39.85OATOM5479 NVAL A 35012.309 92.1577.439 1.00 40.06NATOM5481 CA VAL A 35011.078 92.1728.227 1.00 40.23CATOM5483 CB VAL A 35010.715 90.7658.748 1.00 40.36CATOM5485 CG1 VAL A 3509.434 90.8049.606 1.00 41.08CATOM5489 CG2 VAL A 35010.538 89.8047.598 1.00 41.08CATOM5493 CVAL A 35011.193 93.1249.422 1.00 40.44CATOM5494 OVAL A 35010.395 94.0569.561 1.00 39.83OATOM5495 NASP A 35112.182 92.88910.282 1.00 40.60NATOM5497 CA ASP A 35112.302 93.66111.518 1.00 40.83CATOM5499 CB ASP A 35113.143 92.92612.552 1.00 41.13CATOM5502 CG ASP A 35112.613 91.56412.857 1.00 41.35CATOM5503 OD1 ASP A 35112.602 90.70611.958 1.00 42.39OATOM5504 OD2 ASP A 35112.182 91.24813.971 1.00 43.96OATOM5505 CASP A 35112.864 95.06211.306 1.00 40.99CATOM5506 OASP A 35112.576 95.95112.094 1.00 41.32OATOM5507 NGLY A 35213.658 95.25110.251 1.00 41.24NATOM5509 CA GLY A 35214.238 96.5449.910 1.00 41.01CATOM5512 CGLY A 35215.642 96.74710.470 1.00 41.06CATOM5513 OGLY A 35216.027 96.07711.419 1.00 40.44OATOM5514 NPRO A 35316.410 97.6699.884 1.00 41.09NATOM5515 CA PRO A 35317.780 97.95710.349 1.00 41.08CATOM5517 CB PRO A 35318.326 98.9349.289 1.00 41.29CATOM5520 CG PRO A 35317.117 99.4968.581 1.00 41.13CATOM5523 CD PRO A 35316.041 98.4648.697 1.00 41.24CATOM5526 CPRO A 35317.913 98.55511.760 1.00 41.08CATOM5527 OPRO A 35318.997 98.46512.331 1.00 41.09OATOM5528 NALA A 35416.851 99.14512.308 1.00 40.95NATOM5530 CA ALA A 35416.890 99.71013.657 1.00 40.86C
ATOM5532 CB ALA A 35415.977 100.939 13.742 1.00 40.98 CATOM5536 CALA A 35416.520 98.708 14.758 1.00 40.68 CATOM5537 OALA A 35416.601 99.033 15.935 1.00 41.06 OATOM5538 NSER A 35516.106 97.500 14.378 1.00 40.70 NATOM5540 CA SER A 35515.681 96.489 15.340 1.00 40.23 CATOM5542 CB SER A 35514.900 95.377 14.636 1.00 40.21 CATOM5545 OG SER A 35515.735 94.634 13.749 1.00 39.29 OATOM5547 CSER A 35516.886 95.889 16.049 1.00 40.61 CATOM5548 OSER A 35517.974 95.799 15.473 1.00 40.06 OATOM5549 NTHR A 35616.669 95.447 17.283 1.00 40.55 NATOM5551 CA THR A 35617.725 94.857 18.096 1.00 41.11 CATOM5553 CB THR A 35617.277 94.747 19.576 1.00 41.25 CATOM5555 OG1 THR A 35616.049 94.021 19.648 1.00 42.99 OATOM5557 CG2 THR A 35616.905 96.114 20.143 1.00 41.67 CATOM5561 CTHR A 35618.113 93.496 17.538 1.00 40.83 CATOM5562 OTHR A 35619.241 93.051 17.717 1.00 41.35 OATOM5563 NALA A 35717.181 92.859 16.835 1.00 40.61 NATOM5565 CA ALA A 35717.425 91.581 16.185 1.00 40.26 CATOM5567 CB ALA A 35716.112 90.987 15.692 1.00 40.39 CATOM5571 CALA A 35718.435 91.718 15.027 1.00 39.94 CATOM5572 OALA A 35719.371 90.932 14.909 1.00 39.15 OATOM5573 NPHE A 35818.251 92.722 14.181 1.00 39.89 NATOM5575 CA PHE A 35819.208 92.977 13.109 1.00 40.01 CATOM5577 CB PHE A 35818.691 94.018 12.121 1.00 39.98 CATOM5580 CG PHE A 35819.640 94.288 10.994 1.00 39.13 CATOM5581 CD1 PHE A 35820.306 95.502 10.899 1.00 39.05 CATOM5583 CE1 PHE A 35821.189 95.745 9.855 1.00 38.90 CATOM5585 CZ PHE A 35821.419 94.773 8.911 1.00 38.09 CATOM5587 CE2 PHE A 35820.768 93.559 9.001 1.00 38.51 CATOM5589 CD2 PHE A 35819.888 93.317 10.046 1.00 38.31 CATOM5591 CPHE A 35820.581 93.403 13.647 1.00 40.34 CATOM5592 OPHE A 35821.600 92.966 13.129 1.00 40.02 OATOM5593 NGLN A 35920.595 94.239 14.683 1.00 40.68 NATOM5595 CA GLN A 35921.848 94.694 15.297 1.00 41.08 CATOM5597 CB GLN A 35921.595 95.827 16.313 1.00 41.46 CATOM5600 CG GLN A 35921.418 97.225 15.676 1.00 44.13 CATOM5603 CD GLN A 35920.647 98.202 16.565 1.00 47.64 CATOM5604 OE1 GLN A 35920.659 98.078 17.791 1.00 50.42 OATOM5605 NE2 GLN A 35919.980 99.173 15.945 1.00 48.01 NATOM5608 CGLN A 35922.618 93.550 15.964 1.00 40.71 CATOM5609 OGLN A 35923.846 93.536 15.937 1.00 40.27 OATOM5610 NGLU A 36021.910 92.588 16.557 1.00 40.58 NATOM5612 CA GLU A 36022.593 91.432 17.135 1.00 40.44 CATOM5614 CB GLU A 36021.684 90.544 18.005 1.00 41.12 CATOM5617 CG GLU A 36022.465 89.389 18.640 1.00 42.88 CATOM5620 CD GLU A 36021.661 88.510 19.578 1.00 45.35 CATOM5621 OE1 GLU A 36020.789 87.762 19.100 1.00 45.09 OATOM5622 OE2 GLU A 36021.949 88.531 20.800 1.00 48.36 OATOM5623 CGLU A 36023.214 90.627 16.004 1.00 39.75 CATOM5624 OGLU A 36024.337 90.139 16.136 1.00 39.54 OATOM5625 NHIS A 36122.493 90.495 14.895 1.00 39.07 NATOM5627 CA HIS A 36123.048 89.841 13.711 1.00 38.99 CATOM5629 CB HIS A 36122.047 89.776 12.551 1.00 38.93 CATOM5632 CG HIS A 36121.450 88.421 12.377 1.00 39.97 CATOM5633 ND1 HIS A 36120.236 88.075 12.937 1.00 41.22 NATOM5635 CE1 HIS A 36119.965 86.814 12.654 1.00 42.24 CATOM5637 NE2 HIS A 36120.975 86.326 11.955 1.00 42.01 NATOM5639 CD2 HIS A 36121.918 87.311 11.771 1.00 41.15 CATOM5641 CHIS A 36124.350 90.490 13.263 1.00 38.56 CATOM5642 OHIS A 36125.343 89.789 13.062 1.00 39.02 OATOM5643 NVAL A 36224.356 91.815 13.146 1.00 38.19 NATOM5645 CA VAL A 36225.536 92.547 12.668 1.00 38.37 CATOM5647 CB VAL A 36225.241 94.066 12.473 1.00 38.41 CATOM5649 CG1 VAL A 36226.527 94.882 12.252 1.00 37.53 CATOM5653 CG2 VAL A 36224.288 94.283 11.301 1.00 38.69 CATOM5657 CVAL A 36226.711 92.355 13.624 1.00 38.15 CATOM5658 OVAL A 36227.857 92.181 13.194 1.00 38.41 OATOM5659 NSER A 36326.406 92.345 14.920 1.00 37.92 NATOM5661 CA SER A 36327.422 92.193 15.963 1.00 37.71 CATOM5663 CB SER A 36326.829 92.513 17.346 1.00 37.92 CATOM5666 OG SER A 36326.070 91.423 17.844 1.00 38.97 OATOM5668 CSER A 36328.051 90.802 15.972 1.00 36.90 CATOM5669 OSER A 36329.110 90.615 16.582 1.00 37.26 OATOM5670 NARG A 36427.411 89.839 15.298 1.00 36.03 NATOM5672 CA ARG A 36427.923 88.463 15.188 1.00 35.55 CATOM5674 CB ARG A 36426.779 87.441 15.343 1.00 35.56 CATOM5677 CG ARG A 36426.285 87.226 16.750 1.00 36.90 C
ATOM5680 CD ARG A 36427.296 86.62917.698 1.00 37.57 CATOM5683 NE ARG A 36426.740 86.44419.034 1.00 38.33 NATOM5685 CZ ARG A 36427.442 86.01120.083 1.00 40.07 CATOM5686 NH1 ARG A 36428.733 85.71819.953 1.00 38.93 NATOM5689 NH2 ARG A 36426.851 85.86421.269 1.00 40.44 NATOM5692 C ARG A 36428.656 88.14713.882 1.00 34.97 CATOM5693 O ARG A 36429.135 87.03313.722 1.00 34.94 OATOM5694 N ILE A 36528.720 89.08412.937 1.00 34.57 NATOM5696 CA ILE A 36529.487 88.86111.710 1.00 34.47 CATOM5698 CB ILE A 36529.286 90.02410.688 1.00 34.56 CATOM5700 CG1 ILE A 36527.857 90.01110.119 1.00 34.97 CATOM5703 CD1 ILE A 36527.482 91.3199.424 1.00 34.90 CATOM5707 CG2 ILE A 36530.301 89.9179.549 1.00 34.44 CATOM5711 C ILE A 36530.997 88.62711.955 1.00 34.24 CATOM5712 O ILE A 36531.593 87.80011.268 1.00 34.34 OATOM5713 N PRO A 36631.633 89.37612.862 1.00 34.28 NATOM5714 CA PRO A 36633.064 89.15413.159 1.00 34.41 CATOM5716 CB PRO A 36633.391 90.25114.186 1.00 34.32 CATOM5719 CG PRO A 36632.349 91.29013.960 1.00 34.65 CATOM5722 CD PRO A 36631.101 90.51613.630 1.00 34.23 CATOM5725 C PRO A 36633.377 87.77713.732 1.00 33.96 CATOM5726 O PRO A 36634.515 87.31913.581 1.00 33.66 OATOM5727 N ASP A 36732.384 87.14014.366 1.00 34.01 NATOM5729 CA ASP A 36732.510 85.76114.865 1.00 33.80 CATOM5731 CB ASP A 36731.189 85.24015.434 1.00 33.97 CATOM5734 CG ASP A 36730.808 85.89316.733 1.00 34.18 CATOM5735 OD1 ASP A 36730.731 87.13116.777 1.00 35.84 OATOM5736 OD2 ASP A 36730.535 85.24117.753 1.00 35.46 OATOM5737 C ASP A 36732.909 84.79513.764 1.00 33.68 CATOM5738 O ASP A 36733.550 83.78514.040 1.00 33.69 OATOM5739 N TYR A 36832.487 85.09512.535 1.00 33.42 NATOM5741 CA TYR A 36832.667 84.21511.372 1.00 33.25 CATOM5743 CB TYR A 36831.378 84.21410.534 1.00 33.20 CATOM5746 CG TYR A 36830.337 83.23111.024 1.00 33.96 CATOM5747 CD1 TYR A 36829.274 83.64311.822 1.00 33.50 CATOM5749 CE1 TYR A 36828.310 82.72412.270 1.00 34.94 CATOM5751 CZ TYR A 36828.426 81.38811.920 1.00 35.12 CATOM5752 OH TYR A 36827.507 80.46212.348 1.00 36.74 OATOM5754 CE2 TYR A 36829.484 80.96011.137 1.00 34.96 CATOM5756 CD2 TYR A 36830.427 81.87910.692 1.00 34.40 CATOM5758 C TYR A 36833.847 84.62310.479 1.00 33.11 CATOM5759 O TYR A 36834.112 83.9619.480 1.00 33.28 OATOM5760 N LEU A 36934.548 85.70310.831 1.00 32.76 NATOM5762 CA LEU A 36935.639 86.22110.012 1.00 32.63 CATOM5764 CB LEU A 36935.372 87.6899.645 1.00 32.55 CATOM5767 CG LEU A 36934.151 87.9088.730 1.00 32.33 CATOM5769 CD1 LEU A 36933.860 89.3688.549 1.00 32.47 CATOM5773 CD2 LEU A 36934.324 87.2257.373 1.00 32.53 CATOM5777 C LEU A 36937.018 86.03010.690 1.00 32.58 CATOM5778 O LEU A 36937.209 86.34311.869 1.00 32.64 OATOM5779 N TRP A 37037.969 85.4999.923 1.00 32.49 NATOM5781 CA TRP A 37039.260 85.08810.452 1.00 32.05 CATOM5783 CB TRP A 37039.347 83.56310.504 1.00 31.89 CATOM5786 CG TRP A 37040.657 83.07411.048 1.00 31.22 CATOM5787 CD1 TRP A 37041.768 82.76710.334 1.00 29.98 CATOM5789 NE1 TRP A 37042.779 82.38111.177 1.00 30.65 NATOM5791 CE2 TRP A 37042.328 82.43212.468 1.00 30.81 CATOM5792 CD2 TRP A 37040.989 82.85712.423 1.00 30.35 CATOM5793 CE3 TRP A 37040.289 82.99413.629 1.00 31.36 CATOM5795 CZ3 TRP A 37040.945 82.70514.823 1.00 31.83 CATOM5797 CH2 TRP A 37042.278 82.26714.830 1.00 31.56 CATOM5799 CZ2 TRP A 37042.984 82.12613.666 1.00 31.07 CATOM5801 C TRP A 37040.413 85.6439.620 1.00 32.29 CATOM5802 O TRP A 37040.411 85.5278.393 1.00 31.43 OATOM5803 N MET A 37141.393 86.23810.302 1.00 32.36 NATOM5805 CA MET A 37142.620 86.6929.654 1.00 33.08 CATOM5807 CB MET A 37143.260 87.84410.423 1.00 33.32 CATOM5810 CG MET A 37142.612 89.19010.159 1.00 33.44 CATOM5813 SD MET A 37142.932 89.7928.507 1.00 34.79 SATOM5814 CE MET A 37144.741 89.9068.459 1.00 34.25 CATOM5818 C MET A 37143.598 85.5469.563 1.00 33.51 CATOM5819 O MET A 37144.184 85.14510.568 1.00 34.49 OATOM5820 N GLY A 37243.742 85.0048.356 1.00 33.93 NATOM5822 CA GLY A 37244.674 83.9318.076 1.00 33.69 OATOM5825 C GLY A 37245.907 84.4467.357 1.00 33.81 OATOM5826 O GLY A 37246.061 85.6647.164 1.00 33.56 OATOM5827 N LEU A 37346.764 83.5146.934 1.00 33.45 N
ATOM5829 CALEU A 37348.035 83.842 6.290 1.00 33.62 CATOM5831 CBLEU A 37348.852 82.574 6.022 1.00 34.05 CATOM5834 CGLEU A 37349.193 81.622 7.176 1.00 34.94 CATOM5836 CD1 LEU A 37350.206 80.575 6.732 1.00 36.55 CATOM5840 CD2 LEU A 37349.728 82.332 8.383 1.00 36.37 CATOM5844 C LEU A 37347.838 84.563 4.960 1.00 33.40 CATOM5845 O LEU A 37348.710 85.293 4.523 1.00 33.31 OATOM5846 N ASP A 37446.697 84.348 4.315 1.00 33.19 NATOM5848 CAASP A 37446.429 84.946 3.007 1.00 32.76 CATOM5850 CBASP A 37446.070 83.870 1.966 1.00 32.94 CATOM5853 CGASP A 37445.111 82.806 2.492 1.00 33.52 CATOM5854 OD1 ASP A 37444.567 82.942 3.621 1.00 32.67 OATOM5855 OD2 ASP A 37444.828 81.791 1.813 1.00 35.24 OATOM5856 C ASP A 37445.364 86.049 3.053 1.00 32.46 CATOM5857 O ASP A 37444.929 86.525 2.012 1.00 32.88 OATOM5B58 N GLY A 37544.984 86.473 4.260 1.00 32.05 NATOM5860 CAGLY A 37544.030 87.549 4.457 1.00 31.62 CATOM5863 C GLY A 37542.787 87.081 5.189 1.00 31.69 CATOM5864 O GLY A 37542.782 86.011 5.799 1.00 31.28 OATOM5865 N MET A 37641.730 87.891 5.141 1.00 31.95 NATOM5867 CAMET A 37640.514 87.621 5.927 1.00 32.02 CATOM5869 CBMET A 37639.852 88.924 6.382 1.00 32.55 CATOM5872 CGMET A 37638.573 88.708 7.189 1.00 32.76 CATOM5875 SDMET A 37637.917 90.206 7.834 1.00 35.55 SATOM5876 CEMET A 37638.796 90.360 9.330 1.00 36.56 CATOM5880 C MET A 37639.523 86.787 5.134 1.00 31.70 CATOM5881 O MET A 37639.118 87.183 4.046 1.00 31.68 OATOM5882 N LYS A 37739.146 85.634 5.688 1.00 31.69 NATOM5884 CALYS A 37738.156 84.728 5.093 1.00 31.84 CATOM5886 CBLYS A 37738.818 83.383 4.751 1.00 31.53 CATOM5889 CGLYS A 37739.284 82.610 5.993 1.00 32.38 CATOM5892 CDLYS A 37740.363 81.601 5.705 1.00 30.85 CATOM5895 CELYS A 37741.729 82.249 5.587 1.00 30.22 CATOM5898 NZLYS A 37742.681 81.312 4.903 1.00 28.75 NATOM5902 C LYS A 37736.972 84.483 6.035 1.00 32.37 CATOM5903 O LYS A 37737.023 84.802 7.230 1.00 32.80 OATOM5904 N MET A 37835.907 83.898 5.498 1.00 32.70 NATOM5906 CAMET A 37834.780 83.443 6.312 1.00 32.64 CATOM5908 CBMET A 37833.463 83.613 5.560 1.00 33.00 CATOM5911 CGMET A 37832.230 83.377 6.437 1.00 34.32 CATOM5914 SDMET A 37830.683 84.041 5.767 1.00 36.12 SATOM5915 CEMET A 37831.273 85.521 5.369 1.00 41.69 CATOM5919 C MET A 37834.934 81.980 6.701 1.00 32.44 CATOM5920 O MET A 37835.147 81.115 5.847 1.00 32.21 OATOM5921 N GLN A 37934.782 81.718 7.996 1.00 31.67 NATOM5923 CAGLN A 37934.939 80.398 8.567 1.00 31.31 CATOM5925 CBGLN A 37935.056 80.514 10.092 1.00 31.52 CATOM5928 CGGLN A 37936.112 81.481 10.628 1.00 30.75 CATOM5931 CDGLN A 37937.429 80.778 10.883 1.00 32.21 CATOM5932 OE1 GLN A 37938.086 80.355 9.926 1.00 31.56 OATOM5933 NE2 GLN A 37937.807 80.627 12.164 1.00 27.46 NATOM5936 C GLN A 37933.718 79.544 8.220 1.00 31.59 CATOM5937 O GLN A 37932.621 80.075 8.011 1.00 32.00 OATOM5938 N GLY A 38033.901 78.230 8.177 1.00 31.41 NATOM5940 CAGLY A 38032.825 77.305 7.850 1.00 32.07 CATOM5943 C GLY A 38031.844 77.033 8.994 1.00 32.12 CATOM5944 O GLY A 38030.808 76.421 8.783 1.00 31.70 OATOM5945 N THR A 38132.220 77.450 10.199 1.00 32.61 NATOM5947 CATHR A 38131.343 77.563 11.374 1.00 33.08 CATOM5949 CBTHR A 38131.487 76.356 12.310 1.00 33.40 CATOM5951 OG1 THR A 38132.874 76.154 12.639 1.00 34.31 OATOM5953 CG2 THR A 38131.051 75.068 11.632 1.00 33.09 CATOM5957 C THR A 38131.829 78.803 12.120 1.00 33.45 CATOM5958 O THR A 38132.720 79.479 11.627 1.00 33.61 OATOM5959 N ASN A 38231.294 79.099 13.308 1.00 33.31 NATOM5961 CAASN A 38231.887 80.153 14.138 1.00 33.71 CATOM5963 CBASN A 38230.881 80.732 15.176 1.00 34.15 CATOM5966 CGASN A 38230.468 79.735 16.268 1.00 34.46 CATOM5967 OD1 ASN A 38230.576 80.011 17.478 1.00 38.40 OATOM5968 ND2 ASN A 38229.912 78.598 15.878 1.00 32.18 NATOM5971 C ASN A 38233.253 79.765 14.768 1.00 33.59 CATOM5972 O ASN A 38233.785 80.488 15.602 1.00 34.48 OATOM5973 N GLY A 38333.807 78.635 14.326 1.00 33.54 NATOM5975 CAGLY A 38335.124 78.144 14.698 1.00 33.18 CATOM5978 C GLY A 38335.065 76.652 15.020 1.00 32.95 CATOM5979 O GLY A 38333.991 76.070 15.037 1.00 33.03 OATOM5980 N SER A 38436.216 76.044 15.299 1.00 32.77 N
ATOM5982 CA SER A 38436.295 74.621 15.643 1.00 32.66 CATOM5984 CB SER A 38437.192 73.873 14.640 1.00 32.80 CATOM5987 OG SER A 38438.435 74.531 14.458 1.00 32.32 OATOM5989 CSER A 38436.826 74.473 17.070 1.00 32.64 CATOM5990 OSER A 38437.643 73.622 17.340 1.00 33.06 OATOM5991 NGLN A 38536.296 75.273 17.988 1.00 33.00 NATOM5993 CA GLN A 38536.937 75.526 19.277 1.00 33.22 CATOM5995 CB GLN A 38536.352 76.786 19.938 1.00 33.04 CATOM5998 CG GLN A 38536.548 78.073 19.144 1.00 33.34 CATOM6001 CD GLN A 38535.365 78.402 18.231 1.00 32.50 CATOM6002 OE1 GLN A 38534.731 77.502 17.705 1.00 31.36 OATOM6003 NE2 GLN A 38535.079 79.680 18.062 1.00 32.60 NATOM6006 CGLN A 38536.828 74.340 20.233 1.00 33.28 CATOM6007 OGLN A 38537.840 73.863 20.741 1.00 33.63 OATOM6008 NILE A 38635.610 73.861 20.470 1.00 33.38 NATOM6010 CA ILE A 38635.399 72.681 21.318 1.00 33.24 CATOM6012 CB ILE A 38633.894 72.442 21.586 1.00 33.03 CATOM6014 CG1 ILE A 38633.345 73.507 22.531 1.00 33.64 CATOM6017 CD1 ILE A 38631.856 73.742 22.430 1.00 32.88 CATOM6021 CG2 ILE A 38633.673 71.054 22.205 1.00 34.44 CATOM6025 CILE A 38636.048 71.442 20.693 1.00 32.89 CATOM6026 OILE A 38636.743 70.684 21.372 1.00 32.42 OATOM6027 NTRP A 38735.822 71.250 19.397 1.00 32.56 NATOM6029 CA TRP A 38736.395 70.121 18.660 1.00 32.58 CATOM6031 CB TRP A 38736.017 70.234 17.194 1.00 32.22 CATOM6034 CG TRP A 38736.536 69.153 16.309 1.00 32.49 CATOM6035 CD1 TRP A 38737.577 69.251 15.432 1.00 32.81 CATOM6037 NE1 TRP A 38737.748 68.064 14.764 1.00 32.86 NATOM6039 CE2 TRP A 38736.796 67.174 15.194 1.00 34.07 CATOM6040 CD2 TRP A 38736.013 67.830 16.163 1.00 33.42 CATOM6041 CE3 TRP A 38734.963 67.122 16.763 1.00 35.41 CATOM6043 CZ3 TRP A 38734.733 65.814 16.387 1.00 36.00 CATOM6045 CH2 TRP A 38735.536 65.186 15.425 1.00 35.74 CATOM6047 CZ2 TRP A 38736.564 65.851 14.815 1.00 35.39 CATOM6049 CTRP A 38737.921 70.042 18.816 1.00 32.43 CATOM6050 OTRP A 38738.445 69.011 19.218 1.00 32.46 OATOM6051 NASP A 38838.615 71.139 18.525 1.00 32.56 NATOM6053 CA ASP A 38840.078 71.160 18.582 1.00 32.97 CATOM6055 CB ASP A 38840.643 72.485 18.074 1.00 32.57 CATOM6058 CG ASP A 38840.504 72.667 16.582 1.00 32.81 CATOM6059 OD1 ASP A 38840.538 71.660 15.820 1.00 33.21 OATOM6060 OD2 ASP A 38840.368 73.818 16.092 1.00 31.96 OATOM6061 CASP A 38840.569 70.969 20.011 1.00 33.25 CATOM6062 OASP A 38841.592 70.343 20.231 1.00 33.62 OATOM6063 NTHR A 38939.845 71.538 20.969 1.00 33.34 NATOM6065 CA THR A 38940.272 71.538 22.357 1.00 33.72 CATOM6067 CB THR A 38939.494 72.608 23.137 1.00 33.60 CATOM6069 OG1 THR A 38939.761 73.893 22.564 1.00 35.01 OATOM6071 CG2 THR A 38939.999 72.744 24.567 1.00 34.15 CATOM6075 CTHR A 38940.105 70.162 22.993 1.00 33.66 CATOM6076 OTHR A 38940.944 69.732 23.782 1.00 34.81 OATOM6077 NALA A 39039.031 69.472 22.650 1.00 33.47 NATOM6079 CA ALA A 39038.799 68.127 23.152 1.00 33.66 CATOM6081 CB ALA A 39037.395 67.651 22.793 1.00 33.06 CATOM6085 CALA A 39039.858 67.163 22.613 1.00 33.75 CATOM6086 OALA A 39040.401 66.353 23.369 1.00 34.48 OATOM6087 NPHE A 39140.160 67.260 21.318 1.00 33.57 NATOM6089 CA PHE A 39141.236 66.478 20.703 1.00 33.17 CATOM6091 CB PHE A 39141.287 66.704 19.175 1.00 33.36 CATOM6094 CG PHE A 39140.445 65.737 18.339 1.00 33.76 CATOM6095 CD1 PHE A 39139.790 64.632 18.889 1.00 34.26 CATOM6097 CE1 PHE A 39139.034 63.760 18.077 1.00 34.10 CATOM6099 CZ PHE A 39138.935 63.991 16.706 1.00 34.26 CATOM6101 CE2 PHE A 39139.591 65.083 16.146 1.00 33.54 CATOM6103 CD2 PHE A 39140.341 65.941 16.961 1.00 34.19 CATOM6105 CPHE A 39142.622 66.804 21.296 1.00 33.33 CATOM6106 OPHE A 39143.442 65.900 21.517 1.00 32.47 OATOM6107 NALA A 39242.904 68.087 21.522 1.00 33.43 NATOM6109 CA ALA A 39244.210 68.488 22.021 1.00 33.67 CATOM6111 CB ALA A 39244.324 69.995 22.080 1.00 34.19 CATOM6115 CALA A 39244.460 67.871 23.405 1.00 33.96 CATOM6116 OALA A 39245.510 67.297 23.638 1.00 34.25 OATOM6117 NILE A 39343.481 67.987 24.302 1.00 34.32 NATOM6119 CA ILE A 39343.521 67.316 25.611 1.00 34.33 CATOM6121 CB ILE A 39342.167 67.476 26.357 1.00 34.32 CATOM6123 CG1 ILE A 39342.006 68.890 26.897 1.00 34.50 CATOM6126 CD1 ILE A 39340.558 69.243 27.248 1.00 34.87 C
ATOM6130 CG2 ILE A 39342.064 66.510 27.531 1.00 34.95 CATOM6134 CILE A 39343.865 65.836 25.490 1.00 34.16 CATOM6135 OILE A 39344.731 55.349 26.202 1.00 34.20 OATOM6136 NGLN A 39443.181 65.113 24.605 1.00 34.06 NATOM6138 CA GLN A 39443.444 63.679 24.424 1.00 34.12 CATOM6140 CB GLN A 39442.420 63.020 23.492 1.00 34.42 CATOM6143 CG GLN A 39441.007 62.870 24.065 1.00 35.34 CATOM6146 CD GLN A 39440.055 62.171 23.097 1.00 35.68 CATOM6147 OE1 GLN A 39440.196 60.973 22.801 1.00 36.74 OATOM6148 NE2 GLN A 39439.090 62.913 22.562 1.00 35.84 NATOM6151 CGLN A 39444.870 63.414 23.896 1.00 34.24 CATOM6152 OGLN A 39445.528 62.461 24.322 1.00 33.70 OATOM6153 NALA A 39545.349 64.254 22.986 1.00 34.05 NATOM6155 CA ALA A 39546.695 64.075 22.432 1.00 34.21 CATOM6157 CB ALA A 39546.899 64.934 21.212 1.00 33.70 CATOM6161 CALA A 39547.765 64.383 23.483 1.00 34.87 CATOM6162 OALA A 39548.752 63.661 23.581 1.00 34.12 OATOM6163 NLEU A 39647.577 65.444 24.265 1.00 35.83 NATOM6165 CA LEU A 39648.540 65.750 25.328 1.00 37.09 CATOM6167 CB LEU A 39648.273 67.114 25.981 1.00 37.24 CATOM6170 CG LEU A 39648.222 68.387 25.116 1.00 38.95 CATOM6172 CD1 LEU A 39648.255 69.624 26.002 1.00 40.24 CATOM6176 CD2 LEU A 39649.324 68.476 24.115 1.00 40.09 CATOM6180 CLEU A 39648.600 64.635 26.385 1.00 37.55 CATOM6181 OLEU A 39649.689 64.237 26.785 1.00 38.12 OATOM6182 NLEU A 39747.454 64.106 26.808 1.00 38.22 NATOM6184 CA LEU A 39747.431 63.002 27.788 1.00 38.88 CATOM6186 CB LEU A 39746.009 62.703 28.264 1.00 38.62 CATOM6189 CG LEU A 39745.326 63.851 29.015 1.00 39.82 CATOM6191 CD1 LEU A 39743.959 63.403 29.493 1.00 39.80 CATOM6195 CD2 LEU A 39746.170 64.365 30.193 1.00 41.14 CATOM6199 CLEU A 39748.088 61.715 27.283 1.00 39.12 CATOM6200 OLEU A 39748.829 61.074 28.026 1.00 39.37 OATOM6201 NGLU A 39847.850 61.338 26.029 1.00 39.38 NATOM6203 CA GLU A 39848.535 60.169 25.474 1.00 39.79 CATOM6205 CB GLU A 39847.893 59.674 24.161 1.00 40.19 CATOM6208 CG GLU A 39846.837 58.605 24.433 1.00 42.11 CATOM6211 CD GLU A 39846.670 57.616 23.319 1.00 43.91 CATOM6212 OE1 GLU A 39845.545 57.559 22.755 1.00 46.83 OATOM6213 OE2 GLU A 39847.631 56.879 23.024 1.00 43.82 OATOM6214 CGLU A 39850.031 60.403 25.292 1.00 39.50 CATOM6215 OGLU A 39850.790 59.436 25.231 1.00 40.10 OATOM6216 NALA A 39950.451 61.662 25.212 1.00 38.85 NATOM6218 CA ALA A 39951.876 61.998 25.180 1.00 38.96 CATOM6220 CB ALA A 39952.106 63.223 24.325 1.00 38.53 CATOM6224 CALA A 39952.487 62.210 26.574 1.00 38.92 CATOM6225 OALA A 39953.670 62.499 26.683 1.00 39.40 OATOM6226 NGLY A 40051.681 62.083 27.628 1.00 39.27 NATOM6228 CA GLY A 40052.150 62.183 29.004 1.00 38.98 CATOM6231 CGLY A 40052.360 63.604 29.495 1.00 39.63 CATOM6232 OGLY A 40053.135 63.840 30.431 1.00 40.12 OATOM6233 NGLY A 40151.666 64.559 28.885 1.00 39.52 NATOM6235 CA GLY A 40151.821 65.961 29.224 1.00 39.57 CATOM6238 CGLY A 40151.307 66.306 30.610 1.00 39.39 CATOM6239 OGLY A 40151.685 67.330 31.176 1.00 39.19 OATOM6240 NHIS A 4O250.437 65.458 31.147 1.00 39.33 NATOM6242 CA HIS A 40249.945 65.611 32.515 1.00 39.67 CATOM6244 CB HIS A 40248.708 64.753 32.739 1.00 39.45 CATOM6247 CG HIS A 40248.902 63.292 32.459 1.00 39.07 CATOM6248 ND1 HIS A 40248.958 62.775 31.183 1.00 39.28 NATOM6250 CE1 HIS A 40249.107 61.468 31.243 1.00 39.67 CATOM6252 NE2 HIS A 40249.159 61.112 32.515 1.00 40.26 NATOM6254 CD2 HIS A 40249.030 62.235 33.296 1.00 40.20 CATOM6256 CHIS A 40250.988 65.296 33.602 1.00 40.40 CATOM6257 OHIS A 40250.737 65.537 34.777 1.00 40.48 OATOM6258 NHIS A 40352.136 64.750 33.205 1.00 41.02 NATOM6260 CA HIS A 40353.258 64.486 34.104 1.00 42.13 CATOM6262 CB HIS A 40353.830 63.098 33.844 1.00 42.23 CATOM6265 CG HIS A 40352.880 61.982 34.142 1.00 42.76 CATOM6266 ND1 HIS A 40352.311 61.791 35.388 1.00 42.50 NATOM6268 CE1 HIS A 40351.517 60.740 35.349 1.00 43.97 CATOM6270 NE2 HIS A 40351.545 60.229 34.125 1.00 43.70 NATOM6272 CD2 HIS A 40352.392 60.992 33.353 1.00 43.34 CATOM6274 CHIS A 40354.353 65.540 33.899 1.00 42.92 CATOM6275 OHIS A 40355.470 65.398 34.397 1.00 43.39 OATOM6276 NARG A 40454.038 66.581 33.138 1.00 43.56 NATOM6278 CA ARG A 40454.930 67.704 32.891 1.00 44.14 C
ATOM6280 CB ARG A 40454.990 67.989 31.395 1.00 44.68CATOM6283 CG ARG A 40455.689 66.899 30.587 1.00 45.57CATOM6286 CD ARG A 40456.993 67.353 29.977 1.00 47.95CATOM6289 NE ARG A 40458.113 66.508 30.359 1.00 49.32NATOM6291 CZ ARG A 40459.387 66.891 30.386 1.00 49.79CATOM6292 NH1 ARG A 40459.757 68.127 30.063 1.00 49.21NATOM6295 NH2 ARG A 40460.309 66.012 30.743 1.00 51.48NATOM6298 CARG A 40454.355 68.901 33.634 1.00 44.48CATOM6299 OARG A 40453.266 69.374 33.285 1.00 44.47OATOM6300 NPRO A 40555.055 69.390 34.658 1.00 44.51NATOM6301 CA PRO A 40554.521 70.487 35.475 1.00 44.22CATOM6303 CB PRO A 40555.597 70.696 36.563 1.00 44.40CATOM6306 CG PRO A 40556.499 69.506 36.489 1.00 44.75CATOM6309 CD PRO A 40556.393 68.957 35.111 1.00 44.64CATOM6312 CPRO A 40554.319 71.776 34.682 1.00 43.69CATOM6313 OPRO A 40553.474 72.578 35.043 1.00 43.34OATOM6314 NGLU A 40655.099 71.963 33.623 1.00 43.57NATOM6316 CA GLU A 40655.009 73.158 32.792 1.00 43.40CATOM6318 CB GLU A 40656.283 73.308 31.930 1.00 43.43CATOM6321 CG GLU A 40656.422 72.350 30.744 1.00 43.68CATOM6324 CD GLU A 40657.278 71.118 31.018 1.00 44.08CATOM6325 OE1 GLU A 40657.348 70.646 32.177 1.00 43.50OATOM6326 OE2 GLU A 40657.885 70.604 30.054 1.00 44.69OATOM6327 CGLU A 40653.722 73.209 31.941 1.00 43.16CATOM6328 OGLU A 40653.365 74.271 31.440 1.00 43.46OATOM6329 NPHE A 40753.038 72.072 31.788 1.00 42.83NATOM6331 CA PHE A 40751.770 71.983 31.047 1.00 42.40CATOM6333 CB PHE A 40751.790 70.783 30.088 1.00 42.09CATOM6336 CG PHE A 40752.905 70.805 29.064 1.00 40.89CATOM6337 CD1 PHE A 40753.431 72.000 28.578 1.00 40.12CATOM6339 CE1 PHE A 40754.440 71.995 27.626 1.00 39.75CATOM6341 CZ PHE A 40754.928 70.790 27.142 1.00 38.96CATOM6343 CE2 PHE A 40754.409 69.609 27.607 1.00 39.52CATOM6345 CD2 PHE A 40753.393 69.618 28.554 1.00 38.78CATOM6347 CPHE A 40750.518 71.849 31.930 1.00 42.90CATOM6348 OPHE A 40749.405 71.681 31.399 1.00 42.41OATOM6349 NSER A 40850.664 71.917 33.256 1.00 43.10NATOM6351 CA SER A 40849.507 71.686 34.139 1.00 43.71CATOM6353 CB SER A 40849.933 71.319 35.570 1.00 44.05CATOM6356 OG SER A 40850.816 72.277 36.090 1.00 46.21OATOM6358 CSER A 40848.518 72.858 34.147 1.00 43.36CATOM6359 OSER A 40847.302 72.657 34.261 1.00 43.45OATOM6360 NSER A 40949.036 74.069 33.995 1.00 42.93NATOM6362 CA SER A 40948.204 75.260 33.863 1.00 42.97CATOM6364 CB SER A 40949.091 76.503 33.874 1.00 42.92CATOM6367 OG SER A 40948.296 77.653 34.046 1.00 44.38OATOM6369 CSER A 40947.337 75.244 32.584 1.00 42.62CATOM6370 OSER A 40946.149 75.559 32.626 1.00 42.48OATOM6371 NCYS A 41047.950 74.869 31.464 1.00 42.43NATOM6373 CA CYS A 41047.279 74.711 30.168 1.00 42.53CATOM6375 CB CYS A 41048.305 74.215 29.142 1.00 42.60CATOM6378 SG CYS A 41047.647 73.244 27.770 1.00 42.90SATOM6379 CCYS A 41046.118 73.719 30.244 1.00 42.88CATOM6380 OCYS A 41045.001 73.966 29.785 1.00 42.68OATOM6381 NLEU A 41146.413 72.600 30.872 1.00 43.03NATOM6383 CA LEU A 41145.498 71.495 31.037 1.00 43.71CATOM6385 CB LEU A 41146.335 70.376 31.621 1.00 44.17CATOM6388 CG LEU A 41145.876 68.964 31.869 1.00 47.48CATOM6390 CD1 LEU A 41147.114 68.025 31.769 1.00 48.97CATOM6394 CD2 LEU A 41145.224 68.890 33.261 1.00 49.93CATOM6398 CLEU A 41144.297 71.864 31.934 1.00 43.50CATOM6399 OLEU A 41143.149 71.522 31.634 1.00 43.22OATOM6400 NGLN A 41244.567 72.579 33.025 1.00 43.12NATOM6402 CA GLN A 41243.515 73.086 33.899 1.00 43.11CATOM6404 CB GLN A 41244.121 73.740 35.155 1.00 43.41CATOM6407 CG GLN A 41243.178 74.683 35.938 1.00 45.73CATOM6410 CD GLN A 41242.080 73.928 36.695 1.00 49.35CATOM6411 OE1 GLN A 41242.344 73.365 37.752 1.00 52.68OATOM6412 NE2 GLN A 41240.861 73.944 36.155 1.00 50.40NATOM6415 CGLN A 41242.630 74.088 33.155 1.00 42.38CATOM6416 OGLN A 41241.433 74.141 33.370 1.00 41.05OATOM6417 NLYS A 41343.230 74.888 32.285 1.00 42.37NATOM6419 CA LYS A 41342.471 75.890 31.546 1.00 42.63CATOM6421 CB LYS A 41343.392 76.967 30.964 1.00 43.17CATOM6424 CG LYS A 41343.414 78.266 31.761 1.00 45.73CATOM6427 CD LYS A 41344.819 78.871 31.856 1.00 48.24CATOM6430 CE LYS A 41344.834 80.131 32.740 1.00 50.05C
ATOM6433 NZ LYS A 41345.910 80.067 33.776 1.00 51.34 NATOM6437 CLYS A 41341.631 75.249 30.444 1.00 41.81 CATOM6438 OLYS A 41340.535 75.706 30.165 1.00 41.36 OATOM6439 NALA A 41442.144 74.184 29.842 1.00 41.40 NATOM6441 CA ALA A 41441.423 73.445 28.807 1.00 41.00 CATOM6443 CB ALA A 41442.345 72.450 28.151 1.00 40.87 CATOM6447 CALA A 41440.218 72.732 29.405 1.00 41.09 CATOM6448 OALA A 41439.131 72.719 28.830 1.00 40.98 OATOM6449 NHIS A 41540.424 72.138 30.572 1.00 41.31 NATOM6451 CA HIS A 41539.339 71.529 31.322 1.00 41.10 CATOM6453 CB HIS A 41539.851 70.950 32.643 1.00 40.95 CATOM6456 CG HIS A 41538.763 70.403 33.505 1.00 40.65 CATOM6457 ND1 HIS A 41538.300 69.118 33.375 1.00 41.26 NATOM6459 CE1 HIS A 41537.319 68.917 34.244 1.00 41.80 CATOM6461 NE2 HIS A 41537.121 70.035 34.908 1.00 41.72 NATOM6463 CD2 HIS A 41538.011 70.984 34.468 1.00 41.24 CATOM6465 CHIS A 41538.251 72.554 31.605 1.00 41.32 CATOM6466 OHIS A 41537.076 72.276 31.416 1.00 41.35 OATOM6467 NGLU A 41638.658 73.736 32.055 1.00 41.30 NATOM6469 CA GLU A 41637.734 74.814 32.394 1.00 41.72 CATOM6471 CB GLU A 41638.503 75.997 33.004 1.00 42.12 CATOM6474 CG GLU A 41637.647 77.154 33.486 1.00 44.17 CATOM6477 CD GLU A 41638.489 78.347 33.924 1.00 47.74 CATOM6478 OE1 GLU A 41639.542 78.138 34.567 1.00 50.41 OATOM6479 OE2 GLU A 41638.102 79.494 33.612 1.00 48.65 OATOM6480 CGLU A 41636.950 75.297 31.173 1.00 40.84 CATOM6481 OGLU A 41635.760 75.568 31.274 1.00 40.55 OATOM6482 NPHE A 41737.611 75.408 30.025 1.00 40.00 NATOM6484 CA PHE A 41736.920 75.822 28.811 1.00 39.26 CATOM6486 CB PHE A 41737.874 75.950 27.626 1.00 39.10 CATOM6489 CG PHE A 41737.167 76.249 26.341 1.00 38.10 CATOM6490 CD1 PHE A 41736.926 75.241 25.414 1.00 36.64 CATOM6492 CE1 PHE A 41736.246 75.517 24.224 1.00 37.60 CATOM6494 CZ PHE A 41735.779 76.807 23.973 1.00 36.46 CATOM6496 CE2 PHE A 41736.009 77.816 24.906 1.00 37.42 CATOM6498 CD2 PHE A 41736.696 77.533 26.083 1.00 37.67 CATOM6500 CPHE A 41735.793 74.841 28.470 1.00 38.79 CATOM6501 OPHE A 41734.699 75.247 28.123 1.00 38.32 OATOM6502 NLEU A 41836.069 73.550 28.581 1.00 38.80 NATOM6504 CA LEU A 41835.068 72.538 28.261 1.00 39.26 CATOM6506 CB LEU A 41835.714 71.148 28.156 1.00 39.29 CATOM6509 CG LEU A 41836.671 70.920 26.978 1.00 39.51 CATOM6511 CD1 LEU A 41837.074 69.466 26.917 1.00 40.25 CATOM6515 CD2 LEU A 41836.073 71.362 25.641 1.00 40.21 CATOM6519 CLEU A 41833.932 72.542 29.292 1.00 39.60 CATOM6520 OLEU A 41832.766 72.403 28.929 1.00 39.17 OATOM6521 NARG A 41934.271 72.732 30.567 1.00 40.17 NATOM6523 CA ARG A 41933.258 72.810 31.619 1.00 40.84 CATOM6525 CB ARG A 41933.895 73.010 32.997 1.00 41.20 CATOM6528 CG ARG A 41932.863 73.268 34.082 1.00 42.06 CATOM6531 CD ARG A 41933.391 73.097 35.497 1.00 44.19 CATOM6534 NE ARG A 41934.446 74.054 35.804 1.00 44.65 NATOM6536 CZ ARG A 41934.258 75.353 36.005 1.00 46.10 CATOM6537 NH1 ARG A 41933.046 75.892 35.941 1.00 47.62 NATOM6540 NH2 ARG A 41935.295 76.127 36.283 1.00 47.50 NATOM6543 CARG A 41932.285 73.950 31.364 1.00 40.68 CATOM6544 OARG A 41931.082 73.758 31.431 1.00 40.48 OATOM6545 NLEU A 42032.818 75.133 31.061 1.00 40.93 NATOM6547 CA LEU A 42031.994 76.322 30.805 1.00 40.96 CATOM6549 CB LEU A 42032.824 77.607 30.981 1.00 41.12 CATOM6552 CG LEU A 42033.394 77.827 32.391 1.00 42.17 CATOM6554 CD1 LEU A 42034.433 78.943 32.395 1.00 42.67 CATOM6558 CD2 LEU A 42032.259 78.125 33.403 1.00 42.86 CATOM6562 CLEU A 42031.318 76.302 29.427 1.00 40.51 CATOM6563 OLEU A 42030.436 77.107 29.155 1.00 39.94 OATOM6564 NSER A 42131.718 75.371 28.576 1.00 40.76 NATOM6566 CA SER A 42131.162 75.255 27.232 1.00 41.00 CATOM6568 CB SER A 42132.282 74.922 26.244 1.00 40.99 CATOM6571 OG SER A 42133.159 76.030 26.105 1.00 41.59 OATOM6573 CSER A 42130.036 74.215 27.133 1.00 41.09 CATOM6574 OSER A 42129.347 74.145 26.113 1.00 40.74 OATOM6575 NGLN A 42229.864 73.402 28.175 1.00 41.49 NATOM6577 CA GLN A 42228.782 72.412 28.202 1.00 41.88 CATOM6579 CB GLN A 42228.918 71.448 29.390 1.00 41.76 CATOM6582 CG GLN A 42227.944 70.272 29.339 1.00 41.88 CATOM6585 CD GLN A 42228.185 69.243 30.431 1.00 42.65 CATOM6586 OE1 GLN A 42228.672 69.581 31.515 1.00 44.65 O
ATOM6587 NE2 GLN A 42227.860 67.986 30.154 1.00 40.98NATOM6590 CGLN A 42227.430 73.118 28.246 1.00 41.90CATOM6591 OGLN A 42227.246 74.081 28.993 1.00 41.46OATOM6592 NVAL A 42326.493 72.636 27.434 1.00 42.48NATOM6594 CA VAL A 42325.190 73.286 27.285 1.00 43.07CATOM6596 CB VAL A 42324.484 72.809 25.992 1.00 42.89CATOM6598 CG1 VAL A 42323.088 73.421 25.877 1.00 43.30CATOM6602 CG2 VAL A 42325.327 73.167 24.764 1.00 42.48CATOM6606 CVAL A 42324.329 72.994 28.537 1.00 43.80CATOM6607 OVAL A 42324.069 71.832 28.849 1.00 43.35OATOM6608 NPRO A 42423.918 74.027 29.273 1.00 45.04NATOM6609 CA PRO A 42423.228 73.811 30.559 1.00 45.86CATOM6611 CB PRO A 42423.433 75.139 31.298 1.00 45.70CATOM6614 CG PRO A 42423.595 76.182 30.213 1.00 45.73CATOM6617 CD PRO A 42424.067 75.464 28.966 1.00 45.21CATOM6620 CPRO A 42421.731 73.478 30.454 1.00 46.56CATOM6621 OPRO A 42421.200 72.852 31.379 1.00 47.28OATOM6622 NASP A 42521.080 73.855 29.355 1.00 47.14NATOM6624 CA ASP A 42519.628 73.708 29.222 1.00 47.71CATOM6626 CB ASP A 42 5 18.915 74.990 29.701 1.00 48.15CATOM6629 CG ASP A 42519.369 76.270 28.953 1.00 50.66CATOM6630 OD1 ASP A 42520.292 76.228 28.101 1.00 52.60OATOM6631 OD2 ASP A 42518.851 77.391 29.182 1.00 54.27OATOM6632 CASP A 42519.151 73.351 27.808 1.00 47.56CATOM6633 OASP A 42519.895 73.444 26.832 1.00 47.22OATOM6634 NASN A 42617.903 72.899 27.727 1.00 47.62NATOM6636 CA ASN A 42617.186 72.811 26.465 1.00 47.83CATOM6638 CB ASN A 42616.136 71.699 26.510 1.00 47.38CATOM6641 CG ASN A 42616.750 70.316 26.691 1.00 47.36CATOM6642 OD1 ASN A 42617.694 69.939 25.989 1.00 43.72OATOM6643 ND2 ASN A 42616.214 69.552 27.641 1.00 46.20NATOM6646 CASN A 42616.506 74.150 26.251 1.00 48.11CATOM6647 OASN A 42615.989 74.728 27.200 1.00 48.24OATOM6648 NPRO A 42716.484 74.661 25.023 1.00 48.73NATOM6649 CA PRO A 42715.781 75.926 24.770 1.00 48.95CATOM6651 CB PRO A 42716.198 76.303 23.343 1.00 49.05CATOM6654 CG PRO A 42716.770 75.045 22.717 1.00 48.94CATOM6657 CD PRO A 42717.044 74.064 23.797 1.00 48.58CATOM6660 CPRO A 42714.262 75.700 24.880 1.00 49.23CATOM6661 OPRO A 42713.813 74.589 24.596 1.00 48.51OATOM6662 NPRO A 42813.490 76.705 25.296 1.00 49.59NATOM6663 CA PRO A 42812.036 76.527 25.439 1.00 49.60CATOM6665 CB PRO A 42811.561 77.872 25.996 1.00 49.41CATOM6668 CG PRO A 42812.618 78.825 25.597 1.00 50.36CATOM6671 CD PRO A 42813.918 78.070 25.644 1.00 49.41CATOM6674 CPRO A 42811.380 76.234 24.093 1.00 49.42CATOM6675 OPRO A 42811.744 76.866 23.095 1.00 49.56OATOM6676 NASP A 42910.441 75.285 24.086 1.00 49.07NATOM6678 CA ASP A 4299.689 74.883 22.892 1.00 49.13CATOM6680 CB ASP A 4298.842 76.040 22.342 1.00 49.42CATOM6683 CG ASP A 4297.807 76.533 23.325 1.00 51.81CATOM6684 OD1 ASP A 4297.182 75.700 24.036 1.00 53.38OATOM6685 OD2 ASP A 4297.543 77.756 23.432 1.00 54.84OATOM6686 CASP A 42910.567 74.328 21.770 1.00 48.15CATOM6687 OASP A 42910.215 74.441 20.595 1.00 47.90OATOM6688 NTYR A 43011.684 73.703 22.130 1.00 47.43NATOM6690 CA TYR A 43012.658 73.264 21.128 1.00 46.71CATOM6692 CB TYR A 43013.943 72.768 21.794 1.00 46.65CATOM6695 CG TYR A 43013.845 71.423 22.493 1.00 46.15CATOM6696 CD1 TYR A 43014.128 70.243 21.806 1.00 45.59CATOM6698 CE1 TYR A 43014.060 69.012 22.430 1.00 44.95CATOM6700 CZ TYR A 43013.717 68.942 23.769 1.00 45.47CATOM6701 OH TYR A 43013.649 67.715 24.383 1.00 46.46OATOM6703 CE2 TYR A 43013.431 70.095 24.484 1.00 46.17CATOM6705 CD2 TYR A 43013.506 71.335 23.845 1.00 45.32CATOM6707 CTYR A 43012.095 72.218 20.169 1.00 46.37CATOM6708 OTYR A 43012.475 72.189 18.999 1.00 45.75OATOM6709 NGLN A 43111.176 71.385 20.659 1.00 46.04NATOM6711 CA GLN A 43110.575 70.325 19.850 1.00 46.20CATOM6713 CB GLN A 4319.740 69.374 20.716 1.00 46.84CATOM6716 CG GLN A 43110.561 68.249 21.359 1.00 48.66CATOM6719 CD GLN A 43110.062 67.842 22.746 1.00 52.00CATOM6720 OE1 GLN A 4319.644 68.689 23.547 1.00 54.65OATOM6721 NE2 GLN A 43110.106 66.540 23.036 1.00 53.01NATOM6724 CGLN A 4319.730 70.866 18.702 1.00 45.35CATOM6725 OGLN A 4319.693 70.268 17.624 1.00 45.29OATOM6726 NLYS A 4329.059 71.987 18.942 1.00 44.56N
ATOM6728 CA LYS A 4328.242 72.655 17.931 1.00 44.41CATOM6730 CB LYS A 4327.533 73.870 18.562 1.00 44.74CATOM6733 CG LYS A 4326.521 74.576 17.651 1.00 46.05CATOM6736 CD LYS A 4326.013 75.883 18.274 1.00 48.16CATOM6739 CE LYS A 4324.881 76.481 17.442 1.00 49.26CATOM6742 NZ LYS A 4324.347 77.738 18.021 1.00 50.42NATOM6746 CLYS A 4329.081 73.108 16.716 1.00 43.46CATOM6747 OLYS A 4328.585 73.153 15.591 1.00 42.48OATOM6748 NTYR A 43310.351 73.436 16.956 1.00 42.62NATOM6750 CA TYR A 43311.247 73.900 15.900 1.00 41.92CATOM6752 CB TYR A 43311.965 75.157 16.377 1.00 41.95CATOM6755 CG TYR A 43310.981 76.231 16.784 1.00 41.59CATOM6756 CD1 TYR A 43310.246 76.908 15.829 1.00 42.15CATOM6758 CE1 TYR A 4339.332 77.880 16.187 1.00 43.02CATOM6760 CZ TYR A 4339.136 78.178 17.517 1.00 42.51CATOM6761 OH TYR A 4338.215 79.149 17.856 1.00 45.11OATOM6763 CE2 TYR A 4339.847 77.512 18.494 1.00 41.91CATOM6765 CD2 TYR A 43310.759 76.537 18.125 1.00 41.55CATOM6767 CTYR A 43312.225 72.823 15.419 1.00 41.59CATOM6768 OTYR A 43313.179 73.129 14.693 1.00 41.03OATOM6769 NTYR A 43411.951 71.573 15.826 1.00 41.09NATOM6771 CA TYR A 43412.601 70.350 15.338 1.00 40.72CATOM6773 CB TYR A 43412.607 70.265 13.797 1.00 40.80CATOM6776 CG TYR A 43411.355 70.756 13.063 1.00 41.14CATOM6777 CD1 TYR A 43410.067 70.450 13.514 1.00 42.52CATOM6779 CE1 TYR A 4348.927 70.900 12.820 1.00 42.23CATOM6781 CZ TYR A 4349.088 71.652 11.662 1.00 43.78CATOM6782 OH TYR A 4348.002 72.121 10.952 1.00 44.53OATOM6784 CE2 TYR A 43410.360 71.953 11.197 1.00 43.24CATOM6786 CD2 TYR A 43411.474 71.502 11.889 1.00 42.10CATOM6788 CTYR A 43414.025 70.110 15.880 1.00 40.64CATOM6789 OTYR A 43414.768 69.303 15.331 1.00 40.07OATOM6790 NARG A 43514.399 70.791 16.958 1.00 40.69NATOM6792 CA ARG A 43515.734 70.632 17.533 1.00 40.85CATOM6794 CB ARG A 43516.118 71.860 18.378 1.00 40.48CATOM6797 CG ARG A 43516.432 73.135 17.560 1.00 40.46CATOM6800 CD ARG A 43517.775 73.116 16.820 1.00 39.96CATOM6803 NE ARG A 43518.893 72.893 17.738 1.00 39.08NATOM6805 CZ ARG A 43519.585 73.837 18.368 1.00 38.16CATOM6806 NH1 ARG A 43519.329 75.122 18.179 1.00 38.53NATOM6809 NH2 ARG A 43520.567 73.486 19.190 1.00 38.33NATOM6812 CARG A 43515.881 69.336 18.362 1.00 41.09CATOM6813 OARG A 43514.941 68.858 18.979 1.00 41.50OATOM6814 NGLN A 43617.086 68.790 18.363 1.00 41.12NATOM6816 CA GLN A 43617.441 67.647 19.188 1.00 41.18CATOM6818 CB GLN A 43618.723 67.025 18.653 1.00 41.14CATOM6821 CG GLN A 43619.094 65.700 19.298 1.00 41.88CATOM6824 CD GLN A 43618.245 64.547 18.823 1.00 42.02CATOM6825 OE1 GLN A 43617.652 64.594 17.740 1.00 42.71OATOM6826 NE2 GLN A 43618.179 63.494 19.623 1.00 42.58NATOM6829 CGLN A 43617.664 68.062 20.637 1.00 41.03CATOM6830 OGLN A 43618.230 69.119 20.906 1.00 40.79OATOM6831 NMET A 43717.243 67.214 21.568 1.00 41.35NATOM6833 CA MET A 43717.445 67.479 22.987 1.00 41.86CATOM6835 CB MET A 43716.855 66.351 23.833 1.00 42.58CATOM6838 CG MET A 43716.826 66.657 25.327 1.00 45.27CATOM6841 SD MET A 43716.982 65.183 26.302 1.00 53.93SATOM6842 CE MET A 43718.749 64.895 26.203 1.00 52.51CATOM6846 CMET A 43718.944 67.612 23.249 1.00 41.65CATOM6847 OMET A 43719.719 66.707 22.911 1.00 41.22OATOM6848 NARG A 43819.342 68.736 23.846 1.00 41.57NATOM6850 CA ARG A 43820.756 69.115 23.932 1.00 41.97CATOM6852 CB ARG A 43820.965 70.398 23.139 1.00 41.76CATOM6855 CG ARG A 43820.199 71.577 23.664 1.00 41.61CATOM6858 CD ARG A 43820.688 72.912 23.150 1.00 41.89CATOM6861 NE ARG A 43820.475 73.966 24.132 1.00 42.84NATOM6863 CZ ARG A 43820.727 75.252 23.930 1.00 43.86CATOM6864 NH1 ARG A 43821.203 75.671 22.767 1.00 45.10NATOM6867 NH2 ARG A 43820.497 76.133 24.902 1.00 43.67NATOM6870 CARG A 43821.372 69.313 25.324 1.00 42.39CATOM6871 OARG A 43822.563 69.590 25.413 1.00 42.72OATOM6872 NLYS A 43920.596 69.176 26.397 1.00 42.72NATOM6874 CA LYS A 43921.096 69.473 27.742 1.00 43.00CATOM6876 CB LYS A 43919.964 69.382 28.775 1.00 43.61CATOM6879 CG LYS A 43920.375 69.721 30.219 1.00 45.31CATOM6882 CD LYS A 43919.141 69.868 31.115 1.00 47.66CATOM6885 CE LYS A 43919.491 69.864 32.610 1.00 49.61C
ATOM6888 NZ LYS A 43918.448 69.144 33.415 1.00 50.19NATOM6892 CLYS A 43922.226 68.533 28.129 1.00 42.48CATOM6893 OLYS A 43922.024 67.321 28.233 1.00 42.88OATOM6894 NGLY A 44023.418 69.097 28.329 1.00 41.80NATOM6896 CA GLY A 44024.613 68.329 28.667 1.00 41.39CATOM6899 CGLY A 44025.509 67.955 27.494 1.00 40.55CATOM6900 OGLY A 44026.534 67.303 27.672 1.00 40.66OATOM6901 NGLY A 44125.113 68.336 26.285 1.00 39.94NATOM6903 CA GLY A 44125.888 68.039 25.089 1.00 39.26CATOM6906 CGLY A 44126.896 69.135 24.769 1.00 38.31CATOM6907 OGLY A 44127.015 70.119 25.486 1.00 37.95OATOM6908 NPHE A 44227.632 68.948 23.683 1.00 37.30NATOM6910 CA PHE A 44228.614 69.921 23.244 1.00 36.31CATOM6912 CB PHE A 44230.024 69.393 23.488 1.00 36.53CATOM6915 CG PHE A 44230.399 69.266 24.935 1.00 36.07CATOM6916 CD1 PHE A 44231.176 70.238 25.548 1.00 36.82CATOM6918 CE1 PHE A 44231.534 70.118 26.890 1.00 36.52CATOM6920 CZ PHE A 44231.131 69.019 27.615 1.00 35.65CATOM6922 CE2 PHE A 44230.361 68.044 27.015 1.00 36.39CATOM6924 CD2 PHE A 44230.011 68.163 25.674 1.00 36.88CATOM6926 CPHE A 44228.438 70.194 21.749 1.00 35.84CATOM6927 OPHE A 44228.242 69.279 20.960 1.00 34.47OATOM6928 NSER A 44328.488 71.465 21.377 1.00 35.65NATOM6930 CA SER A 44328.668 71.840 19.996 1.00 35.53CATOM6932 CB SER A 44328.215 73.285 19.761 1.00 35.89CATOM6935 OG SER A 44328.943 74.204 20.549 1.00 37.20OATOM6937 CSER A 44330.122 71.652 19.512 1.00 34.71CATOM6938 OSER A 44331.049 71.373 20.276 1.00 33.87OATOM6939 NPHE A 44430.273 71.788 18.197 1.00 34.44NATOM6941 CA PHE A 44431.550 71.789 17.515 1.00 33.80CATOM6943 CB PHE A 44431.257 71.694 16.018 1.00 33.83CATOM6946 CG PHE A 44432.464 71.669 15.127 1.00 33.70CATOM6947 CD1 PHE A 44432.858 72.818 14.450 1.00 32.62CATOM6949 CE1 PHE A 44433.945 72.793 13.573 1.00 32.31CATOM6951 CZ PHE A 44434.627 71.635 13.359 1.00 32.38CATOM6953 CE2 PHE A 44434.235 70.467 13.998 1.00 33.52CATOM6955 CD2 PHE A 44433.142 70.484 14.877 1.00 33.05CATOM6957 CPHE A 44432.349 73.046 17.824 1.00 33.74CATOM6958 OPHE A 44433.571 73.006 17.948 1.00 32.59OATOM6959 NSER A 44531.634 74.162 17.945 1.00 33.78NATOM6961 CA SER A 44532.249 75.481 18.013 1.00 34.42CATOM6963 CB SER A 44531.550 76.437 17.043 1.00 34.29CATOM6966 OG SER A 44530.145 76.453 17.253 1.00 33.75OATOM6968 CSER A 44532.265 76.051 19.443 1.00 35.00CATOM6969 OSER A 44533.228 75.842 20.163 1.00 34.80OATOM6970 NTHR A 44631.196 76.749 19.841 1.00 35.50NATOM6972 CA THR A 44631.100 77.370 21.157 1.00 35.66CATOM6974 CB THR A 44631.321 78.877 21.052 1.00 35.99CATOM6976 OG1 THR A 44630.237 79.463 20.319 1.00 34.44OATOM6978 CG2 THR A 44632.600 79.213 20.256 1.00 35.54CATOM6982 CTHR A 44629.726 77.164 21.776 1.00 36.36CATOM6983 OTHR A 44628.765 76.748 21.098 1.00 36.34OATOM6984 NLEU A 44729.634 77.499 23.063 1.00 36.64NATOM6986 CA LEU A 44728.385 77.366 23.806 1.00 37.05CATOM6988 CB LEU A 44728.592 77.809 25.264 1.00 37.32CATOM6991 CG LEU A 44727.340 77.937 26.146 1.00 38.44CATOM6993 CD1 LEU A 44726.636 76.596 26.222 1.00 39.40CATOM6997 CD2 LEU A 44727.703 78.442 27.541 1.00 39.69CATOM7001 CLEU A 44727.266 78.181 23.167 1.00 36.91CATOM7002 OLEU A 44726.145 77.703 22.987 1.00 36.99OATOM7003 NASP A 44827.580 79.421 22.826 1.00 37.32NATOM7005 CA ASP A 44826.575 80.362 22.336 1.00 37.26CATOM7007 CB ASP A 44827.193 81.742 22.126 1.00 37.45CATOM7010 CG ASP A 44827.227 82.565 23.397 1.00 38.35CATOM7011 OD1 ASP A 44826.729 82.093 24.445 1.00 37.47OATOM7012 OD2 ASP A 44827.738 83.702 23.430 1.00 39.57OATOM7013 CASP A 44825.913 79.885 21.057 1.00 36.66CATOM7014 OASP A 44824.749 80.192 20.823 1.00 36.55OATOM7015 NCYS A 44926.657 79.149 20.237 1.00 36.22NATOM7017 CA CYS A 44926.091 78.465 19.068 1.00 36.28CATOM7019 CB CYS A 44927.211 77.823 18.235 1.00 36.00CATOM7022 SG CYS A 44926.625 76.746 16.906 1.00 37.28SATOM7023 CCYS A 44925.043 77.415 19.489 1.00 36.38CATOM7024 OCYS A 44923.925 77.395 18.953 1.00 36.25OATOM7025 NGLY A 45025.422 76.533 20.422 1.00 36.13NATOM7027 CA GLY A 45024.483 75.633 21.079 1.00 35.97CATOM7030 CGLY A 45023.966 74.429 20.300 1.00 36.08C
ATOM7031 OGLY A 45023.159 73.647 20.840 1.00 35.60 OATOM7032 NTRP A 45124.398 74.264 19.045 1.00 35.80 NATOM7034 CA TRP A 45123.947 73.132 18.220 1.00 35.57 CATOM7036 CB TRP A 45124.053 73.448 16.717 1.00 35.51 CATOM7039 CG TRP A 45122.907 74.225 16.077 1.00 34.89 CATOM7040 CD1 TRP A 45122.778 75.577 16.007 1.00 35.47 CATOM7042 NE1 TRP A 45121.642 75.914 15.315 1.00 34.46 NATOM7044 CE2 TRP A 45121.014 74.766 14.905 1.00 34.60 CATOM7045 CD2 TRP A 45121.788 73.685 15.358 1.00 33.28 CATOM7046 CE3 TRP A 45121.350 72.392 15.065 1.00 32.47 CATOM7048 CZ3 TRP A 45120.186 72.221 14.341 1.00 30.73 CATOM7050 CH2 TRP A 45119.441 73.314 13.903 1.00 31.43 CATOM7052 CZ2 TRP A 45119.837 74.592 14.166 1.00 33.26 CATOM7054 CTRP A 45124.813 71.918 18.538 1.00 35.73 CATOM7055 OTRP A 45125.940 71.816 18.043 1.00 36.15 OATOM7056 NILE A 45224.310 71.005 19.374 1.00 35.55 NATOM7058 CA ILE A 45225.134 69.880 19.826 1.00 34.85 CATOM7060 CB ILE A 45224.582 69.217 21.119 1.00 35.21 CATOM7062 CG1 ILE A 45223.222 68.561 20.868 1.00 35.68 CATOM7065 CD1 ILE A 45223.288 67.118 20.469 1.00 35.13 CATOM7069 CG2 ILE A 45224.511 70.239 22.266 1.00 36.04 CATOM7073 CILE A 45225.319 68.823 18.737 1.00 34.15 CATOM7074 OILE A 45224.507 68.667 17.824 1.00 33.16 OATOM7075 NVAL A 45326.412 68.096 18.851 1.00 33.96 NATOM7077 CA VAL A 45326.736 67.063 17.889 1.00 34.42 CATOM7079 CB VAL A 45327.848 67.525 16.924 1.00 34.48 CATOM7081 CG1 VAL A 45327.814 66.711 15.634 1.00 35.07 CATOM7085 CG2 VAL A 45327.692 68.990 16.609 1.00 35.12 CATOM7089 CVAL A 45327.145 65.820 18.652 1.00 34.09 CATOM7090 OVAL A 45327.704 65.901 19.753 1.00 33.81 OATOM7091 NSER A 45426.845 64.668 18.072 1.00 34.32 NATOM7093 CA SER A 45427.065 63.398 18.743 1.00 34.49 CATOM7095 CB SER A 45426.529 62.243 17.914 1.00 34.57 CATOM7098 OG SER A 45427.194 62.185 16.665 1.00 36.91 OATOM7100 CSER A 45428.543 63.201 19.012 1.00 34.47 CATOM7101 OSER A 45428.929 62.893 20.138 1.00 34.05 OATOM7102 NASP A 45529.371 63.401 17.991 1.00 34.59 NATOM7104 CA ASP A 45530.801 63.174 18.145 1.00 34.74 CATOM7106 CB ASP A 45531.529 62.934 16.810 1.00 34.69 CATOM7109 CG ASP A 45531.322 64.032 15.781 1.00 35.65 CATOM7110 OD1 ASP A 45530.711 65.092 16.050 1.00 36.19 OATOM7111 OD2 ASP A 45531.761 63.881 14.629 1.00 35.70 OATOM7112 CASP A 45531.511 64.220 18.986 1.00 34.85 CATOM7113 OASP A 45532.436 63.879 19.705 1.00 34.72 OATOM7114 NCYS A 45631.071 65.475 18.930 1.00 35.20 NATOM7116 CA CYS A 45631.694 66.518 19.735 1.00 35.40 CATOM7118 CB CYS A 45631.226 67.909 19.296 1.00 35.46 CATOM7121 SG CYS A 45631.479 68.234 17.529 1.00 38.20 SATOM7122 CCYS A 45631.373 66.292 21.207 1.00 35.23 CATOM7123 OCYS A 45632.207 66.567 22.083 1.00 34.92 OATOM7124 NTHR A 45730.158 65.804 21.467 1.00 34.71 NATOM7126 CA THR A 45729.726 65.462 22.813 1.00 34.66 CATOM7128 CB THR A 45728.239 65.034 22.848 1.00 34.49 CATOM7130 OG1 THR A 45727.403 66.148 22.516 1.00 32.49 OATOM7132 CG2 THR A 45727.821 64.662 24.274 1.00 34.11 CATOM7136 CTHR A 45730.574 64.347 23.341 1.00 35.35 CATOM7137 OTHR A 45731.066 64.429 24.457 1.00 35.37 OATOM7138 NALA A 45830.750 63.319 22.513 1.00 36.04 NATOM7140 CA ALA A 45831.532 62.151 22.858 1.00 36.57 CATOM7142 CB ALA A 45831.466 61.138 21.745 1.00 36.49 CATOM7146 CALA A 45832.986 62.485 23.180 1.00 37.57 CATOM7147 OALA A 45833.513 62.022 24.189 1.00 37.17 OATOM7148 NGLU A 45933.629 63.290 22.330 1.00 38.41 NATOM7150 CA GLU A 45935.049 63.606 22.510 1.00 39.14 CATOM7152 CB GLU A 45935.662 64.201 21.236 1.00 39.30 CATOM7155 CG GLU A 45935.582 63.310 19.991 1.00 40.99 CATOM7158 CD GLU A 45936.413 62.033 20.065 1.00 42.08 CATOM7159 OE1 GLU A 45937.209 61.850 21.012 1.00 42.31 OATOM7160 OE2 GLU A 45936.256 61.193 19.147 1.00 43.40 OATOM7161 CGLU A 45935.286 64.564 23.687 1.00 39.09 CATOM7162 OGLU A 45936.316 64.473 24.360 1.00 39.02 OATOM7163 NALA A 46034.351 65.484 23.916 1.00 39.16 NATOM7165 CA ALA A 46034.428 66.400 25.058 1.00 39.29 CATOM7167 CB ALA A 46033.385 67.504 24.948 1.00 39.15 CATOM7171 CALA A 46034.245 65.640 26.375 1.00 39.75 CATOM7172 OALA A 46034.926 65.922 27.363 1.00 39.22 OATOM7173 NLEU A 46133.319 64.688 26.363 1.00 40.29 N
ATOM7175 CA LEU A 46133.021 63.835 27.511 1.00 40.59CATOM7177 CB LEU A 46131.791 62.977 27.201 1.00 40.60CATOM7180 CG LEU A 46130.855 62.389 28.270 1.00 40.91CATOM7182 CD1 LEU A 46130.509 60.950 27.906 1.00 40.42CATOM7186 CD2 LEU A 46131.379 62.478 29.688 1.00 40.50CATOM7190 CLEU A 46134.232 62.956 27.817 1.00 41.02CATOM7191 OLEU A 46134.630 62.836 28.966 1.00 40.86OATOM7192 NLYS A 46234.813 62.359 26.777 1.00 41.55NATOM7194 CA LYS A 46236.005 61.509 26.892 1.00 42.20CATOM7196 CB LYS A 46236.430 60.967 25.509 1.00 42.76CATOM7199 CG LYS A 46236.366 59.439 25.330 1.00 45.06CATOM7202 CD LYS A 46237.695 58.822 24.806 1.00 47.05CATOM7205 CE LYS A 46238.429 57.994 25.905 1.00 48.75CATOM7208 NZ LYS A 46239.700 57.290 25.431 1.00 49.89NATOM7212 CLYS A 46237.178 62.290 27.478 1.00 42.27CATOM7213 OLYS A 46237.897 61.799 28.357 1.00 41.84OATOM7214 NALA A 46337.373 63.502 26.959 1.00 42.37NATOM7216 CA ALA A 46338.471 64.367 27.379 1.00 42.58CATOM7218 CB ALA A 46338.560 65.605 26.494 1.00 42.28CATOM7222 CALA A 46338.300 64.766 28.835 1.00 42.83CATOM7223 OALA A 46339.253 64.741 29.586 1.00 42.89OATOM7224 NVAL A 46437.083 65.128 29.223 1.00 43.54NATOM7226 CA VAL A 46436.798 65.547 30.594 1.00 44.33CATOM7228 CB VAL A 46435.360 66.124 30.726 1.00 44.32CATOM7230 CG1 VAL A 46434.956 66.278 32.199 1.00 45.26CATOM7234 CG2 VAL A 46435.255 67.463 30.022 1.00 44.51CATOM7238 CVAL A 46437.033 64.369 31.567 1.00 45.09CATOM7239 OVAL A 46437.717 64.525 32.577 1.00 44.92OATOM7240 NLEU A 46536.492 63.200 31.229 1.00 45.81NATOM7242 CA LEU A 46536.684 61.978 32.005 1.00 46.61CATOM7244 CB LEU A 46535.916 60.811 31.373 1.00 46.58CATCM7247 CG LEU A 46534.389 60.849 31.487 1.00 47.05CATOM7249 CD1 LEU A 46533.744 59.840 30.550 1.00 47.45CATOM7253 CD2 LEU A 46533.956 60.581 32.916 1.00 48.35CATOM7257 CLEU A 46538.153 61.587 32.142 1.00 47.64CATOM7258 OLEU A 46538.580 61.190 33.221 1.00 47.72OATOM7259 NLEU A 46638.914 61.686 31.051 1.00 48.73NATOM7261 CA LEU A 46640.337 61.341 31.063 1.00 49.60CATOM7263 CB LEU A 46640.948 61.371 29.652 1.00 49.58CATOM7266 CG LEU A 46640.828 60.125 28.764 1.00 49.84CATOM7268 CD1 LEU A 46641.140 60.490 27.315 1.00 50.15CATOM7272 CD2 LEU A 46641.738 58.986 29.223 1.00 50.14CATOM7276 CLEU A 46641.127 62.288 31.972 1.00 50.47CATOM7277 OLEU A 46642.027 61.844 32.681 1.00 50.38OATOM7278 NLEU A 46740.780 63.577 31.939 1.00 51.53NATOM7280 CA LEU A 46741.455 64.602 32.743 1.00 52.70CATOM7282 CB LEU A 46740.964 66.001 32.374 1.00 52.73CATOM7285 CG LEU A 46741.559 66.679 31.145 1.00 53.46CATOM7287 CD1 LEU A 46740.671 67.846 30.714 1.00 53.26CATOM7291 CD2 LEU A 46742.967 67.150 31.411 1.00 53.25CATOM7295 CLEU A 46741.218 64.426 34.236 1.00 53.70CATOM7296 OLEU A 46742.077 64.750 35.043 1.00 53.70OATOM7297 NGLN A 46840.030 63.946 34.590 1.00 54.84NATOM7299 CA GLN A 46839.640 63.782 35.988 1.00 55.62CATOM7301 CB GLN A 46838.120 63.905 36.115 1.00 55.37CATOM7304 CG GLN A 46837.653 65.311 35.731 1.00 54.17CATOM7307 CD GLN A 46836.170 65.535 35.883 1.00 52.44CATOM7308 OE1 GLN A 46835.418 64.608 36.185 1.00 52.53OATOM7309 NE2 GLN A 46835.744 66.771 35.692 1.00 49.59NATOM7312 CGLN A 46840.169 62.489 36.614 1.00 56.60CATOM7313 OGLN A 46840.399 62.438 37.818 1.00 56.73OATOM7314 NGLU A 46940.382 61.460 35.800 1.00 57.93NATOM7316 CA GLU A 46941.083 60.264 36.253 1.00 59.24CATOM7318 CB GLU A 46940.818 59.081 35.309 1.00 59.47CATOM7321 CG GLU A 46941.341 57.738 35.827 1.00 60.90CATOM7324 CD GLU A 46941.281 56.623 34.790 1.00 63.33CATOM7325 OE1 GLU A 46940.155 56.243 34.390 1.00 66.68OATOM7326 OE2 GLU A 46942.354 56.117 34.361 1.00 63.60OATOM7327 CGLU A 46942.596 60.525 36.376 1.00 60.02CATOM7328 OGLU A 46943.231 60.057 37.317 1.00 60.25OATOM7329 NLYS A 47043.164 61.289 35.442 1.00 60.90NATOM7331 CA LYS A 47044.620 61.412 35.320 1.00 61.67CATOM7333 CB LYS A 47045.038 61.288 33.846 1.00 61.37CATOM7336 CG LYS A 47044.852 59.887 33.265 1.00 60.78CATOM7339 CD LYS A 47045.262 59.807 31.792 1.00 59.98CATOM7342 CE LYS A 47045.559 58.367 31.344 1.00 59.47CATOM7345 NZ LYS A 47047.022 58.012 31.412 1.00 57.81N
ATOM7349 CLYS A 47045.243 62.682 35.936 1.00 62.73CATOM7350 OLYS A 47046.462 62.739 36.074 1.00 62.91OATOM7351 NCYS A 47144.437 63.676 36.319 1.00 64.05NATOM7353 CA CYS A 47144.974 64.947 36.845 1.00 65.26CATOM7355 CB CYS A 47144.770 66.086 35.856 1.00 65.32CATOM7358 SG CYS A 47145.709 65.857 34.350 1.00 66.39SATOM7359 CCYS A 47144.405 65.364 38.208 1.00 66.15CATOM7360 OCYS A 47143.203 65.624 38.334 1.00 65.99OATOM7361 NPRO A 47245.282 65.444 39.216 1.00 67.36NATOM7362 CA PRO A 47244.868 65.714 40.602 1.00 67.89CATOM7364 CB PRO A 47246.088 65.259 41.416 1.00 68.04CATOM7367 CG PRO A 47247.267 65.490 40.499 1.00 67.72CATOM7370 CD PRO A 47246.749 65.282 39.107 1.00 67.30CATOM7373 CPRO A 47244.566 67.188 40.890 1.00 68.35CATOM7374 OPRO A 47243.583 67.491 41.568 1.00 68.22OATOM7375 NHIS A 47345.402 68.086 40.372 1.00 68.94NATOM7377 CA HIS A 47345.278 69.515 40.656 1.00 69.48CATOM7379 CB HIS A 47346.578 70.249 40.286 1.00 70.08CATOM7382 CG HIS A 47347.646 70.139 41.333 1.00 72.57CATOM7383 ND1 HIS A 47348.222 68.931 41.685 1.00 75.34NATOM7385 CE1 HIS A 47349.122 69.135 42.633 1.00 75.99CATOM7387 NE2 HIS A 47349.148 70.429 42.910 1.00 76.12NATOM7389 CD2 HIS A 47348.235 71.078 42.112 1.00 74.93CATOM7391 CHIS A 47344.074 70.179 39.963 1.00 68.91CATOM7392 OHIS A 47343.732 71.324 40.278 1.00 68.88OATOM7393 NVAL A 47443.433 69.468 39.034 1.00 68.10NATOM7395 CA VAL A 47442.275 70.003 38.326 1.00 67.36CATOM7397 CB VAL A 47441.839 69.078 37.162 1.00 67.38CATOM7399 CG1 VAL A 47440.455 69.457 36.629 1.00 67.46CATOM7403 CG2 VAL A 47442.863 69.146 36.046 1.00 67.15CATOM7407 CVAL A 47441.130 70.243 39.306 1.00 66.67CATOM7408 OVAL A 47440.607 69.304 39.897 1.00 66.77OATOM7409 NTHR A 47540.767 71.515 39.468 1.00 65.93NATOM7411 CA THR A 47539.728 71.951 40.393 1.00 65.55CATOM7413 CB THR A 47540.177 73.230 41.159 1.00 65.57CATOM7415 OG1 THR A 47541.535 73.092 41.601 1.00 66.05OATOM7417 CG2 THR A 47539.393 73.402 42.462 1.00 66.13CATOM7421 CTHR A 47538.432 72.232 39.639 1.00 64.66CATOM7422 OTHR A 47538.447 72.473 38.429 1.00 64.88OATOM7423 NGLU A 47637.321 72.216 40.372 1.00 63.44NATOM7425 CA GLU A 47635.989 72.366 39.798 1.00 62.58CATOM7427 CB GLU A 47635.757 73.806 39.313 1.00 62.87CATOM7430 CG GLU A 47635.205 74.756 40.377 1.00 64.04CATOM7433 CD GLU A 47636.279 75.439 41.220 1.00 66.00CATOM7434 OE1 GLU A 47637.404 75.660 40.709 1.00 66.67OATOM7435 OE2 GLU A 47635.993 75.769 42.405 1.00 66.11OATOM7436 CGLU A 47635.779 71.334 38.680 1.00 61.27CATOM7437 OGLU A 47635.748 71.676 37.495 1.00 61.15OATOM7438 NHIS A 47735.684 70.066 39.084 1.00 59.64NATOM7440 CA HIS A 47735.290 68.970 38.197 1.00 58.54CATOM7442 CB HIS A 47735.257 67.627 38.945 1.00 58.44CATOM7445 CG HIS A 47736.596 66.986 39.144 1.00 58.31CATOM7446 ND1 HIS A 47737.681 67.657 39.663 1.00 58.60NATOM7448 CE1 HIS A 47738.705 66.828 39.756 1.00 58.44CATOM7450 NE2 HIS A 47738.323 65.643 39.317 1.00 58.19NATOM7452 CD2 HIS A 47737.005 65.712 38.940 1.00 57.94CATOM7454 CHIS A 47733.878 69.210 37.685 1.00 57.56CATOM7455 OHIS A 47733.078 69.866 38.360 1.00 57.12OATOM7456 NILE A 47833.567 68.676 36.507 1.00 56.52NATOM7458 CA ILE A 47832.186 68.613 36.056 1.00 55.93CATOM7460 CB ILE A 47832.079 68.221 34.566 1.00 55.72CATOM7462 CG1 ILE A 47832.767 69.279 33.690 1.00 55.48CATOM7465 CD1 ILE A 47832.573 69.094 32.197 1.00 54.97CATOM7469 CG2 ILE A 47830.608 68.039 34.170 1.00 54.94CATOM7473 CILE A 47831.503 67.567 36.931 1.00 55.96CATOM7474 OILE A 47831.911 66.401 36.929 1.00 55.31OATOM7475 NPRO A 47930.475 67.971 37.675 1.00 56.13NATOM7476 CA PRO A 47929.832 67.063 38.630 1.00 56.53CATOM7478 CB PRO A 47928.779 67.939 39.318 1.00 56.47CATOM7481 CG PRO A 47928.586 69.115 38.449 1.00 56.47CATOM7484 CD PRO A 47929.850 69.303 37.671 1.00 56.27CATOM7487 CPRO A 47929.182 65.858 37.950 1.00 56.88CATOM7488 OPRO A 47928.845 65.912 36.764 1.00 56.83OATOM7489 NARG A 48029.040 64.787 38.724 1.00 56.94NATOM7491 CA ARG A 48028.441 63.526 38.290 1.00 57.25CATOM7493 CB ARG A 48028.139 62.655 39.522 1.00 57.44CATOM7496 CG ARG A 48028.081 61.177 39.232 1.00 58.85C
ATOM7499 CD ARG A 48027.749 60.302 40.443 1.00 60.52CATOM7502 NE ARG A 48027.160 59.034 40.014 1.00 61.74NATOM7504 CZ ARG A 48025.883 58.858 39.674 1.00 62.59CATOM7505 NH1 ARG A 48025.015 59.867 39.729 1.00 63.00NATOM7508 NH2 ARG A 48025.468 57.656 39.285 1.00 62.76NATOM7511 CARG A 48027.167 63.677 37.445 1.00 56.84CATOM7512 OARG A 48027.039 63.021 36.423 1.00 56.82OATOM7513 NGLU A 48126.242 64.531 37.876 1.00 56.52NATOM7515 CA GLU A 48124.953 64.686 37.197 1.00 56.60CATOM7517 CB GLU A 48123.964 65.500 38.069 1.00 57.02CATOM7520 CG GLU A 48123.679 66.942 37.638 1.00 59.52CATOM7523 CD GLU A 48123.606 67.930 38.804 1.00 63.03CATOM7524 OE1 GLU A 48122.769 67.742 39.721 1.00 64.45OATOM7525 OE2 GLU A 48124.396 68.916 38.791 1.00 64.20OATOM7526 CGLU A 48125.091 65.268 35.772 1.00 56.04CATOM7527 OGLU A 48124.325 64.913 34.878 1.00 55.64OATOM7528 NARG A 48226.068 66.152 35.570 1.00 55.36NATOM7530 CA ARG A 48226.326 66.730 34.250 1.00 55.16CATOM7532 CB ARG A 48227.124 68.033 34.365 1.00 55.61CATOM7535 CG ARG A 48226.225 69.256 34.584 1.00 57.83CATOM7538 CD ARG A 48226.992 70.566 34.763 1.00 61.48CATOM7541 NE ARG A 48226.670 71.229 36.034 1.00 64.46NATOM7543 CZ ARG A 48225.668 72.103 36.223 1.00 67.07CATOM7544 NH1 ARG A 48224.867 72.467 35.222 1.00 68.24NATOM7547 NH2 ARG A 48225.469 72.626 37.430 1.00 67.30NATOM7550 CARG A 48227.001 65.742 33.286 1.00 53.89CATOM7551 OARG A 48226.735 65.784 32.087 1.00 53.38OATOM7552 NLYS A 48327.850 64.853 33.805 1.00 52.57NATOM7554 CA LYS A 48328.370 63.743 33.009 1.00 51.89CATOM7556 CB LYS A 48329.366 62.912 33.813 1.00 52.10CATOM7559 CG LYS A 48330.718 63.569 34.059 1.00 53.91CATOM7562 CD LYS A 48331.395 62.895 35.259 1.00 55.95CATOM7565 CE LYS A 48332.896 63.173 35.306 1.00 58.44CATOM7568 NZ LYS A 48333.605 62.526 36.487 1.00 60.03NATOM7572 CLYS A 48327.233 62.835 32.503 1.00 50.76CATOM7573 OLYS A 48327.199 62.458 31.326 1.00 49.41OATOM7574 NCYS A 48426.305 62.494 33.400 1.00 49.63NATOM7576 CA CYS A 48425.128 61.693 33.041 1.00 48.88CATOM7578 CB CYS A 48424.316 61.323 34.291 1.00 48.91CATOM7581 SG CYS A 48425.164 60.143 35.357 1.00 50.26SATOM7582 CCYS A 48424.229 62.421 32.048 1.00 47.48CATOM7583 OCYS A 48423.543 61.787 31.269 1.00 47.12OATOM7584 NASP A 48524.228 63.749 32.090 1.00 46.60NATOM7586 CA ASP A 48523.454 64.552 31.136 1.00 46.21CATOM7588 CB ASP A 48523.429 66.032 31.550 1.00 46.46CATOM7591 CG ASP A 48522.349 66.353 32.601 1.00 47.74CATOM7592 OD1 ASP A 48521.326 65.637 32.688 1.00 49.86OATOM7593 OD2 ASP A 48522.433 67.343 33.363 1.00 48.79OATOM7594 CASP A 48524.007 64.391 29.701 1.00 45.37CATOM7595 OASP A 48523.243 64.194 28.749 1.00 44.86OATOM7596 NALA A 48625.334 64.441 29.565 1.00 44.47NATOM7598 CA ALA A 48626.010 64.198 28.293 1.00 43.85CATOM7600 CB ALA A 48627.510 64.378 28.450 1.00 43.87CATOM7604 CALA A 48625.703 62.800 27.766 1.00 43.38CATOM7605 OALA A 48625.405 62.619 26.581 1.00 43.09OATOM7606 NVAL A 48725.755 61.817 28.660 1.00 42.70NATOM7608 CA VAL A 48725.433 60.439 28.318 1.00 42.15CATOM7610 CB VAL A 48725.748 59.483 29.488 1.00 42.17CATOM7612 CG1 VAL A 48725.238 58.074 29.216 1.00 42.07CATOM7616 CG2 VA LA 48727.257 59.454 29.754 1.00 42.88CATOM7620 CVAL A 48723.960 60.319 27.874 1.00 41.52CATOM7621 OVAL A 48723.662 59.597 26.925 1.00 41.14OATOM7622 NALA A 48823.060 61.049 28.527 1.00 40.91NATOM7624 CA ALA A 48821.632 60.992 28.187 1.00 40.46CATOM7626 CB ALA A 48820.797 61.779 29.196 1.00 40.48CATOM7630 CALA A 48821.397 61.516 26.769 1.00 40.37CATOM7631 OALA A 48820.603 60.939 26.007 1.00 40.44OATOM7632 NVAL A 48922.099 62.595 26.417 1.00 39.62NATOM7634 CA VAL A 48922.047 63.153 25.069 1.00 39.48CATOM7636 CB VAL A 48923.001 64.384 24.904 1.00 39.51CATOM7638 CG1 VAL A 48923.135 64.790 23.432 1.00 40.23CATOM7642 CG2 VAL A 48922.502 65.553 25.710 1.00 39.44CATOM7646 CVAL A 48922.404 62.094 24.030 1.00 39.00CATOM7647 OVAL A 48921.709 61.952 23.021 1.00 38.09OATOM7648 NLEU A 49023.466 61.344 24.310 1.00 39.08NATOM7650 CA LEU A 49024.002 60.347 23.387 1.00 39.34CATOM7652 CB LEU A 49025.407 59.899 23.826 1.00 39.05C
ATOM7655 CG LEU A 49026.538 60.941 23.733 1.00 39.67 CATOM7657 CD1 LEU A 49027.859 60.355 24.200 1.00 40.20 CATOM7661 CD2 LEU A 49026.695 61.507 22.312 1.00 39.50 CATOM7665 CLEU A 49023.065 59.154 23.257 1.00 40.27 CATOM7666 OLEU A 49022.776 58.713 22.148 1.00 40.11 OATOM7667 NLEU A 49122.559 58.653 24.382 1.00 41.04 NATOM7669 CA LEU A 49121.616 57.529 24.368 1.00 41.65 CATOM7671 CB LEU A 49121.378 56.994 25.793 1.00 41.87 CATOM7674 CG LEU A 49122.608 56.379 26.473 1.00 42.08 CATOM7676 CD1 LEU A 49122.275 55.954 27.886 1.00 42.86 CATOM7680 CD2 LEU A 49123.131 55.210 25.666 1.00 42.33 CATOM7684 CLEU A 49120.288 57.887 23.701 1.00 41.67 CATOM7685 OLEU A 49119.586 57.006 23.218 1.00 42.28 OATOM7686 NASN A 49219.969 59.177 23.651 1.00 41.91 NATOM7688 CA ASN A 49218.755 59.672 22.984 1.00 42.13 CATOM7690 CB ASN A 49218.294 60.964 23.679 1.00 42.19 CATOM7693 CG ASN A 49216.927 61.441 23.204 1.00 42.85 CATOM7694 OD1 ASN A 49216.750 62.608 22.859 1.00 45.40 OATOM7695 ND2 ASN A 49215.960 60.540 23.183 1.00 44.36 NATOM7698 CASN A 49218.939 59.906 21.460 1.00 42.25 CATOM7699 OASN A 49218.008 60.362 20.779 1.00 42.38 OATOM7700 NMET A 49320.124 59.560 20.939 1.00 42.08 NATOM7702 CA MET A 49320.490 59.746 19.525 1.00 41.92 CATOM7704 CB MET A 49321.715 60.663 19.410 1.00 42.17 CATOM7707 CG MET A 49321.467 62.105 19.817 1.00 43.45 CATOM7710 SD MET A 49322.912 63.190 19.649 1.00 46.25 SATOM7711 CE MET A 49323.971 62.481 20.634 1.00 47.20 CATOM7715 CMET A 49320.803 58.414 18.842 1.00 41.36 CATOM7716 OMET A 49321.463 58.382 17.806 1.00 41.34 OATOM7717 NARG A 49420.336 57.317 19.433 1.00 40.78 NATOM7719 CA ARG A 49420.465 55.997 18.824 1.00 40.42 CATOM7721 CB ARG A 49420.162 54.891 19.836 1.00 40.42 CATOM7724 CG ARG A 49421.046 54.887 21.067 1.00 41.45 CATOM7727 CD ARG A 49420.517 53.992 22.176 1.00 42.11 CATOM7730 NE ARG A 49420.649 52.584 21.823 1.00 42.35 NATOM7732 CZ ARG A 49420.075 51.584 22.490 1.00 42.70 CATOM7733 NH1 ARG A 49419.342 51.823 23.568 1.00 43.67 NATOM7736 NH2 ARG A 49420.247 50.339 22.088 1.00 41.14 NATOM7739 CARG A 49419.509 55.871 17.642 1.00 39.56 CATOM7740 OARG A 49418.503 56.563 17.579 1.00 39.31 OATOM7741 NASN A 49519.846 54.980 16.719 1.00 38.95 NATOM7743 CA ASN A 49519.059 54.726 15.526 1.00 38.62 CATOM7745 CB ASN A 49519.812 55.210 14.285 1.00 38.63 CATOM7748 CG ASN A 49520.011 56.709 14.261 1.00 37.85 CATOM7749 OD1 ASN A 49519.127 57.450 13.841 1.00 34.79 OATOM7750 ND2 ASN A 49521.183 57.160 14.696 1.00 37.33 NATOM7753 CASN A 49518.851 53.229 15.373 1.00 38.84 CATOM7754 OASN A 49519.645 52.445 15.873 1.00 38.99 OATOM7755 NPRO A 49617.814 52.823 14.651 1.00 39.26 NATOM7756 CA PRO A 49617.578 51.395 14.382 1.00 39.24 CATOM7758 CB PRO A 49616.443 51.428 13.360 1.00 39.40 CATOM7761 CG PRO A 49615.674 52.668 13.723 1.00 39.41 CATOM7764 CD PRO A 49616.735 53.675 14.106 1.00 39.15 CATOM7767 CPRO A 49618.789 50.599 13.854 1.00 39.28 CATOM7768 OPRO A 49618.956 49.437 14.265 1.00 38.91 OATOM7769 NASP A 49719.618 51.203 12.994 1.00 38.53 NATOM7771 CA ASP A 49720.780 50.500 12.424 1.00 38.10 CATOM7773 CB ASP A 49721.213 51.132 11.079 1.00 38.21 CATOM7776 CG ASP A 49721.806 52.549 11.230 1.00 38.35 CATOM7777 OD1 ASP A 49721.991 53.030 12.382 1.00 35.13 OATOM7778 OD2 ASP A 49722.103 53.255 10.233 1.00 36.98 OATOM7779 CASP A 49721.987 50.399 13.379 1.00 37.77 CATOM7780 OASP A 49722.998 49.782 13.047 1.00 37.36 OATOM7781 NGLY A 49821.889 51.022 14.551 1.00 37.54 NATOM7783 CA GLY A 49822.925 50.928 15.572 1.00 37.30 CATOM7786 CGLY A 49824.037 51.962 15.439 1.00 36.93 CATOM7787 OGLY A 49824.991 51.974 16.236 1.00 36.53 OATOM7788 NGLY A 49923.907 52.836 14.442 1.00 36.43 NATOM7790 CA GLY A 49924.890 53.866 14.156 1.00 35.94 CATOM7793 CGLY A 49924.469 55.205 14.718 1.00 35.94 CATOM7794 OGLY A 49923.333 55.367 15.189 1.00 36.12 OATOM7795 NPHE A 50025.391 56.165 14.659 1.00 35.37 NATOM7797 CA PHE A 50025.161 57.517 15.131 1.00 35.26 CATOM7799 CB PHE A 50026.088 57.826 16.315 1.00 35.09 CATOM7802 CG PHE A 50025.583 57.250 17.597 1.00 35.86 CATOM7803 CD1 PHE A 50024.736 57.986 18.415 1.00 36.78 CATOM7805 CE1 PHE A 50024.215 57.432 19.573 1.00 36.06 C
ATOM7807 CZ PHE A 50024.532 56.14119.917 1.00 35.87 CATOM7809 CE2 PHE A 50025.363 55.38619.099 1.00 36.18 CATOM7811 CD2 PHE A 50025.868 55.93617.938 1.00 36.34 CATOM7813 CPHE A 50025.313 58.53113.997 1.00 35.15 CATOM7814 OPHE A 50026.248 58.45613.195 1.00 34.95 OATOM7815 NALA A 50124.351 59.44013.916 1.O0 34.68 NATOM7817 CA ALA A 50124.378 60.53912.966 1.00 34.94 CATOM7819 CB ALA A 50122.968 60.90212.540 1.00 34.77 CATOM7823 CALA A 50125.104 61.73213.607 1.00 34.89 CATOM7824 OALA A 50125.876 61.53914.549 1.00 35.64 OATOM7825 NTHR A 50224.873 62.94513.109 1.00 34.78 NATOM7827 CA THR A 50225.639 64.12313.552 1.00 35.12 CATOM7829 CB THR A 50226.016 65.03512.347 1.00 34.67 CATOM7831 OG1 THR A 50224.842 65.42111.613 1.00 34.64 OATOM7833 CG2 THR A 50226.840 64.25811.334 1.00 34.63 CATOM7837 CTHR A 50224.917 64.91514.644 1.00 35.46 CATOM7838 OTHR A 50225.140 64.67815.821 1.00 36.07 OATOM7839 NTYR A 50324.048 65.84014.262 1.00 35.68 NATOM7841 CA TYR A 50323.395 66.71515.219 1.00 36.00 CATOM7843 CB TYR A 50322.991 68.01814.528 1.00 35.98 CATOM7846 CG TYR A 50324.167 68.84414.046 1.00 36.12 CATOM7847 CD1 TYR A 50324.631 69.92114.783 1.00 35.27 CATOM7849 CE1 TYR A 50325.708 70.67914.343 1.00 35.89 CATOM7851 CZ TYR A 50326.329 70.36213.145 1.00 35.64 CATOM7852 OH TYR A 50327.385 71.11512.699 1.00 33.71 OATOM7854 CE2 TYR A 50325.873 69.30712.390 1.00 35.49 CATOM7856 CD2 TYR A 50324.797 68.55612.840 1.00 35.58 CATOM7858 CTYR A 50322.152 66.08315.839 1.00 36.53 CATOM7859 OTYR A 50321.690 66.51816.900 1.00 36.60 OATOM7860 NGLU A 50421.605 65.07615.164 1.00 37.11 NATOM7862 CA GLU A 50420.262 64.56815.467 1.00 37.93 CATOM7864 CB GLU A 50419.214 65.31714.608 1.00 37.57 CATOM7867 CG GLU A 50419.307 66.83414.760 1.00 38.28 CATOM7870 CD GLU A 50418.344 67.62313.897 1.00 37.05 CATOM7871 OE1 GLU A 50417.864 67.09712.879 1.00 37.89 OATOM7872 OE2 GLU A 50418.103 68.79614.237 1.00 36.64 OATOM7873 CGLU A 50420.242 63.04715.256 1.00 38.05 CATOM7874 OGLU A 50421.177 62.36315.649 1.00 38.25 OATOM7875 NTHR A 50519.175 62.52314.665 1.00 38.92 NATOM7877 CA THR A 50519.095 61.11714.275 1.00 39.11 CATOM7879 CB THR A 50518.013 60.39215.095 1.00 39.53 CATOM7881 OG1 THR A 50516.743 61.02414.881 1.00 39.39 OATOM7883 CG2 THR A 50518.261 60.53616.598 1.00 39.59 CATOM7887 CTHR A 50518.726 61.04312.807 1.00 39.51 CATOM7888 OTHR A 50518.365 62.05212.198 1.00 39.44 OATOM7889 NLYS A 50618.815 59.84412.244 1.00 39.62 NATOM7891 CA LYS A 50618.394 59.60310.874 1.00 40.28 CATOM7893 CB LYS A 50618.977 58.28010.373 1.00 40.37 CATOM7896 CG LYS A 50618.662 57.9638.912 1.00 42.50 CATOM7899 CD LYS A 50619.775 57.1508.235 1.00 43.39 CATOM7902 CE LYS A 50619.846 55.7338.743 1.00 44.11 CATOM7905 NZ LYS A 50620.867 54.9327.971 1.00 44.80 NATOM7909 CLYS A 50616.865 59.60910.804 1.00 40.14 CATOM7910 OLYS A 50616.232 58.57210.900 1.00 40.27 OATOM7911 NARG A 50716.290 60.79410.626 1.00 40.26 NATOM7913 CA ARG A 50714.846 60.98710.708 1.00 40.55 CATOM7915 CB ARG A 50714.534 62.44111.066 1.00 40.27 CATOM7918 CG ARG A 50714.960 62.86412.460 1.00 39.30 CATOM7921 CD ARG A 50714.498 64.27312.790 1.00 38.73 CATOM7924 NE ARG A 50715.081 64.80014.020 1.00 37.44 NATOM7926 CZ ARG A 50715.109 66.09014.343 1.00 36.25 CATOM7927 NH1 ARG A 50714.610 67.00713.529 1.00 35.83 NATOM7930 NH2 ARG A 50715.656 66.46415.488 1.00 36.52 NATOM7933 CARG A 50714.086 60.6139.432 1.00 40.93 CATOM7934 OARG A 50712.878 60.4699.472 1.00 41.27 OATOM7935 NGLY A 50814.781 60.4848.305 1.00 41.58 NATOM7937 CA GLY A 50814.141 60.1667.032 1.00 41.97 CATOM7940 CGLY A 50814.725 58.9126.411 1.00 42.16 CATOM7941 OGLY A 50815.682 58.3436.928 1.00 42.56 OATOM7942 NGLY A 50914.152 58.4865.295 1.00 42.42 NATOM7944 CA GLY A 50914.644 57.3264.568 1.00 42.75 CATOM7947 CGLY A 50915.677 57.6823.507 1.00 42.96 CATOM7948 OGLY A 50915.757 58.8243.067 1.00 42.96 OATOM7949 NHIS A 51016.452 56.6813.098 1.00 43.57 NATOM7951 CA HIS A 51017.526 56.8252.115 1.00 44.24 CATOM7953 CB HIS A 51018.216 55.4691.886 1.00 45.20 CATOM7956 CG HIS A 51019.402 55.2262.780 1.00 48.64 C
ATOM7957 ND1 HIS A 51019.580 55.879 3.983 1.00 52.60 NATOM7959 CE1 HIS A 51020.710 55.469 4.539 1.00 53.34 CATOM7961 NE2 HIS A 51021.270 54.574 3.743 1.00 53.80 NATOM7963 CD2 HIS A 51020.468 54.397 2.642 1.00 52.61 CATOM7965 C HIS A 51017.064 57.398 0.770 1.00 43.74 CATOM7966 O HIS A 51017.801 58.144 0.129 1.00 43.22 OATOM7967 N LEU A 51115.841 57.055 0.357 1.00 43.37 NATOM7969 CALEU A 51115.287 57.502 -0.927 1.00 43.06 CATOM7971 CBLEU A 51113.951 56.797 -1.227 1.00 43.55 CATOM7974 CGLEU A 51114.072 55.284 -1.451 1.00 45.13 CATOM7976 CD1 LEU A 51112.690 54.604 -1.481 1.00 46.22 CATOM7980 CD2 LEU A 51114.865 54.977 -2.732 1.00 46.23 CATOM7984 C LEU A 51115.100 59.011 -1.029 1.00 41.81 CATOM7985 O LEU A 51115.005 59.549 -2.129 1.00 41.30 OATOM7986 N LEU A 51215.054 59.698 0.109 1.00 40.76 NATOM7988 CALEU A 51214.994 61.154 0.104 1.00 40.03 CATOM7990 CBLEU A 51214.878 61.698 1.526 1.00 40.11 CATOM7993 CGLEU A 51213.549 61.373 2.230 1.00 40.60 CATOM7995 CD1 LEU A 51213.587 61.801 3.679 1.00 39.69 CATOM7999 CD2 LEU A 51212.383 62.041 1.516 1.00 41.46 CATOM8003 C LEU A 51216.179 61.804 -0.625 1.00 39.30 CATOM8004 O LEU A 51216.049 62.928 -1.093 1.00 38.80 OATOM8005 N GLU A 51317.306 61.096 -0.732 1.00 38.73 NATOM8007 CAGLU A 51318.512 61.608 -1.397 1.00 38.77 CATOM8009 CBGLU A 51319.709 60.667 -1.185 1.00 38.64 CATOM8012 CGGLU A 51321.070 61.324 -1.392 1.00 37.72 CATOM8015 CDGLU A 51321.249 62.570 -0.545 1.00 37.05 CATOM8016 OE1 GLU A 51320.988 62.503 0.679 1.00 37.73 OATOM8017 OE2 GLU A 51321.648 63.618 -1.091 1.00 33.35 OATOM8018 C GLU A 51318.317 61.844 -2.896 1.00 38.76 CATOM8019 O GLU A 51319.019 62.644 -3.489 1.00 38.53 OATOM8020 N LEU A 51417.352 61.152 -3.492 1.00 38.93 NATOM8022 CALEU A 51416.931 61.419 -4.867 1.00 39.07 CATOM8024 CBLEU A 51415.844 60.415 -5.293 1.00 39.61 CATOM8027 CGLEU A 51416.249 58.943 -5.407 1.00 40.91 CATOM8029 CD1 LEU A 51415.022 58.053 -5.507 1.00 42.78 CATOM8033 CD2 LEU A 51417.159 58.716 -6.601 1.00 41.76 CATOM8037 C LEU A 51416.419 62.855 -5.069 1.00 38.42 CATOM8038 O LEU A 51416.400 63.358 -6.196 1.00 38.03 OATOM8039 N LEU A 51516.000 63.502 -3.985 1.00 37.66 NATOM8041 CALEU A 51515.521 64.887 -4.045 1.00 37.48 CATOM8043 CBLEU A 51514.378 65.098 -3.043 1.00 37.77 CATOM8046 CGLEU A 51513.189 64.136 -3.164 1.00 38.27 CATOM8048 CD1 LEU A 51512.114 64.506 -2.134 1.00 38.46 CATOM8052 CD2 LEU A 51512.636 64.148 -4.580 1.00 38.01 CATOM8056 C LEU A 51516.585 65.969 -3.819 1.00 36.70 CATOM8057 O LEU A 51516.253 67.140 -3.739 1.00 36.82 OATOM8058 N ASN A 51617.854 65.584 -3.734 1.00 36.10 NATOM8060 CAASN A 51618.955 66.537 -3.564 1.00 35.32 CATOM8062 CBASN A 51620.282 65.768 -3.454 1.00 35.41 CATOM8065 CGASN A 51621.505 66.679 -3.345 1.00 34.98 CATOM8066 OD1 ASN A 51621.389 67.895 -3.250 1.00 34.91 OATOM8067 ND2 ASN A 51622.691 66.071 -3.358 1.00 35.59 NATOM8070 C ASN A 51618.993 67.506 -4.745 1.00 34.51 CATOM8071 O ASN A 51619.263 67.077 -5.855 1.00 34.59 OATOM8072 N PRO A 51718.693 68.791 -4.524 1.00 34.07 NATOM8073 CAPRO A 51718.694 69.786 -5.609 1.00 34.36 CATOM8075 CBPRO A 51717.484 70.644 -5.253 1.00 34.00 CATOM8078 CGPRO A 51717.567 70.719 -3.731 1.00 34.32 CATOM8081 CDPRO A 51718.263 69.414 -3.257 1.00 33.58 CATOM8084 C PRO A 51719.931 70.690 -5.659 1.00 34.65 CATOM8085 O PRO A 51719.992 71.535 -6.555 1.00 34.45 OATOM8086 N SER A 51820.867 70.529 -4.720 1.00 35.30 NATOM8088 CASER A 51821.971 71.482 -4.516 1.00 35.57 CATOM8090 CBSER A 51822.620 71.252 -3.153 1.00 35.62 CATOM8093 OGSER A 51823.374 70.050 -3.149 1.00 35.14 OATOM8095 C SER A 51823.048 71.418 -5.586 1.00 35.92 CATOM8096 O SER A 51823.846 72.338 -5.707 1.00 36.94 OATOM8097 N GLU A 51923.100 70.311 -6.315 1.00 36.11 NATOM8099 CAGLU A 51923.966 70.125 -7.495 1.00 36.52 CATOM8101 CBGLU A 51923.791 71.248 -8.525 1.00 36.90 CATOM8104 CGGLU A 51922.460 71.192 -9.268 1.00 38.38 CATOM8107 CDGLU A 51921.637 72.457 -9.110 1.00 40.44 CATOM8108 OE1 GLU A 51922.112 73.424 -8.481 1.00 42.19 OATOM8109 OE2 GLU A 51920.496 72.471 -9.616 1.00 41.39 OATOM8110 C GLU A 51925.461 69.922 -7.242 1.00 36.05 CATOM8111 O GLU A 51926.095 69.125 -7.931 1.00 35.46 O
ATOM8112 NVAL A 52026.026 70.665 -6.300 1.00 35.55NATOM8114 CA VAL A 52027.470 70.645 -6.090 1.00 35.39CATOM8116 C8 VAL A 52028.030 72.085 -5.990 1.00 35.14CATOM8118 CG1 VAL A 52027.798 72.824 -7.298 1.00 35.20CATOM8122 CG2 VAL A 52027.419 72.863 -4.821 1.00 34.41CATOM8126 CVAL A 52027.859 69.812 -4.863 1.00 35.39CATOM8127 OVAL A 52029.042 69.598 -4.615 1.00 35.46OATOM8128 NPHE A 52126.858 69.337 -4.112 1.00 35.39NATOM8130 CA PHE A 52127.076 68.571 -2.882 1.00 35.23CATOM8132 CB PHE A 52126.436 69.283 -1.691 1.00 34.94CATOM8135 CG PHE A 52126.940 70.661 -1.472 1.00 34.92CATOM8136 CD1 PHE A 52128.277 70.883 -1.199 1.00 33.98CATOM8138 CE1 PHE A 52128.751 72.160 -0.989 1.00 34.90CATOM8140 CZ PHE A 52127.883 73.243 -1.039 1.00 36.41CATOM8142 CE2 PHE A 52126.535 73.038 -1.309 1.00 35.50CATOM8144 CD2 PHE A 52126.072 71.748 -1.518 1.00 36.43CATOM8146 CPHE A 52126.475 67.180 -2.988 1.00 35.27CATOM8147 OPHE A 52125.522 66.964 -3.738 1.00 35.18OATOM8148 NGLY A 52227.042 66.242 -2.227 1.00 35.20NATOM8150 CA GLY A 52226.512 64.892 -2.115 1.00 35.13CATOM8153 CGLY A 52226.008 64.565 -0.706 1.00 35.34CATOM8154 OGLY A 52226.576 65.011 0.295 1.00 35.32OATOM8155 NASP A 52324.932 63.785 -0.638 1.00 35.48NATOM8157 CA ASP A 52324.438 63.197 0.603 1.00 35.81CATOM8159 CB ASP A 52325.446 62.163 1.119 1.00 36.80CATOM8162 CG ASP A 52325.586 60.988 0.174 1.00 38.74CATOM8163 OD1 ASP A 52324.570 60.619 -0.458 1.00 41.04OATOM8164 OD2 ASP A 52326.663 60.388 -0.016 1.00 43.42OATOM8165 CASP A 52324.103 64.226 1.666 1.00 35.29CATOM8166 OASP A 52324.721 64.261 2.741 1.00 34.26OATOM8167 NILE A 52423.115 65.054 1.345 1.00 34.91NATOM8169 CA ILE A 52422.735 66.191 2.178 1.00 35.49CATOM8171 CB ILE A 52422.861 67.504 1.377 1.00 35.56CATOM8173 CG1 ILE A 52421.895 67.505 0.183 1.00 35.73CATOM8176 CD1 ILE A 52421.308 68.849 -0.094 1.00 36.78CATOM8180 CG2 ILE A 52424.285 67.724 0.916 1.00 36.24CATOM8184 CILE A 52421.307 66.126 2.732 1.00 35.33CATOM8185 OILE A 52420.950 66.933 3.579 1.00 35.90OATOM8186 NMET A 52520.492 65.197 2.246 1.00 35.25NATOM8188 CA MET A 52519.056 65.245 2.506 1.00 35.35CATOM8190 CB MET A 52518.298 64.494 1.414 1.00 35.62CATOM8193 CG MET A 52518.402 65.177 0.043 1.00 36.00CATOM8196 SD MET A 52517.885 66.896 0.062 1.00 37.78SATOM8197 CE MET A 52516.121 66.725 0.166 1.00 37.65CATOM8201 CMET A 52518.626 64.757 3.894 1.00 35.08CATOM8202 OMET A 52517.721 65.339 4.474 1.00 35.13OATOM8203 NILE A 52619.269 63.719 4.418 1.00 34.40NATOM8205 CA ILE A 52618.997 63.254 5.780 1.00 34.58CATOM8207 CB ILE A 52618.308 61.858 5.774 1.00 34.65CATOM8209 CG1 ILE A 52619.197 60.794 5.122 1.00 35.15CATOM8212 CD1 ILE A 52618.588 59.395 5.102 1.00 35.72CATOM8216 CG2 ILE A 52616.957 61.926 5.065 1.00 34.97CATOM8220 CILE A 52620.274 63.200 6.605 1.00 34.46CATOM8221 OILE A 52621.382 63.229 6.056 1.00 34.21OATOM8222 NASP A 52720.118 63.121 7.925 1.00 34.31NATOM8224 CA ASP A 52721.264 63.018 8.828 1.00 34.55CATOM8226 CB ASP A 52720.909 63.546 10.231 1.00 34.50CATOM8229 CG ASP A 52722.131 63.948 11.046 1.00 35.13CATOM8230 OD1 ASP A 52723.286 63.701 10.602 1.00 33.35OATOM8231 OD2 ASP A 52722.020 64.529 12.155 1.00 36.31OATOM8232 CASP A 52721.694 61.559 8.872 1.00 34.55CATOM8233 OASP A 52721.177 60.764 9.661 1.00 34.46OATOM8234 NTYR A 52822.638 61.212 7.999 1.00 34.54NATOM8236 CA TYR A 52823.134 59.849 7.892 1.00 34.58CATOM8238 CB TYR A 52824.048 59.702 6.665 1.00 35.18CATOM8241 CG TYR A 52823.311 59.826 5.348 1.00 36.34CATOM8242 CD1 TYR A 52823.245 61.041 4.671 1.00 37.17CATOM8244 CE1 TYR A 52822.555 61.158 3.462 1.00 38.55CATOM8246 CZ TYR A 52821.920 60.046 2.928 1.00 38.10CATOM8247 OH TYR A 52821.228 60.135 1.743 1.00 39.13OATOM8249 CE2 TYR A 52821.971 58.837 3.585 1.00 38.82CATOM8251 CD2 TYR A 52822.664 58.732 4.793 1.00 37.98CATOM8253 CTYR A 52823.891 59.417 9.140 1.00 34.00CATOM8254 OTYR A 52824.432 60.240 9.866 1.00 33.82OATOM8255 NTHR A 52923.908 58.110 9.369 1.00 33.66NATOM8257 CA THR A 52924.786 57.489 10.343 1.00 33.24CATOM8259 CB THR A 52924.169 56.151 10.846 1.00 33.16C
ATOM8261 OG1 THR A 52923.748 55.325 9.739 1.00 32.09 OATOM8263 CG2 THR A 52922.884 56.432 11.649 1.00 33.09 CATOM8267 CTHR A 52926.173 57.285 9.727 1.00 33.32 CATOM8268 OTHR A 52926.285 56.971 8.543 1.00 33.15 OATOM8269 NTYR A 53027.220 57.495 10.522 1.00 33.54 NATOM8271 CA TYR A 53028.603 57.453 10.035 1.00 34.00 CATOM8273 CB TYR A 53029.199 58.869 10.011 1.00 34.06 CATOM8276 CG TYR A 53028.499 59.838 9.078 1.00 34.47 CATOM8277 CD1 TYR A 53027.502 60.689 9.551 1.00 34.89 CATOM8279 CE1 TYR A 53026.860 61.584 8.714 1.00 35.46 CATOM8281 CZ TYR A 53027.202 61.628 7.370 1.00 36.93 CATOM8282 OH TYR A 53026.555 62.510 6.535 1.00 38.03 OATOM8284 CE2 TYR A 53028.193 60.785 6.871 1.00 35.54 CATOM8286 CD2 TYR A 53028.834 59.901 7.730 1.00 34.39 CATOM8288 CTYR A 53029.478 56.587 10.932 1.00 34.05 CATOM8289 OTYR A 53029.254 56.530 12.145 1.00 33.77 OATOM8290 NVAL A 53130.499 55.952 10.360 1.00 34.13 NATOM8292 CA VAL A 53131.424 55.158 11.177 1.00 34.69 CATOM8294 CB VAL A 53132.472 54.369 10.340 1.00 34.88 CATOM8296 CG1 VAL A 53133.425 55.305 9.571 1.00 34.93 CATOM8300 CG2 VAL A 53133.262 53.446 11.230 1.00 34.97 CATOM8304 CVAL A 53132.135 56.024 12.215 1.00 34.83 CATOM8305 OVAL A 53132.347 55.577 13.347 1.00 34.84 OATOM8306 NGLU A 53232.462 57.263 11.843 1.00 34.86 NATOM8308 CA GLU A 53233.232 58.147 12.713 1.00 35.50 CATOM8310 CB GLU A 53233.720 59.395 11.975 1.00 35.31 CATOM8313 CG GLU A 53234.547 59.104 10.730 1.00 35.70 CATOM8316 CD GLU A 53233.758 59.337 9.450 1.00 36.02 CATOM8317 OE1 GLU A 53234.235 60.112 8.605 1.00 35.66 OATOM8318 OE2 GLU A 53232.661 58.746 9.291 1.00 34.80 OATOM8319 CGLU A 53232.434 58.558 13.941 1.00 35.90 CATOM8320 OGLU A 53232.941 58.492 15.062 1.00 35.78 OATOM8321 NCYS A 53331.189 58.974 13.735 1.00 35.80 NATOM8323 CA CYS A 53330.359 59.404 14.850 1.00 36.28 CATOM8325 CB CYS A 53329.074 60.072 14.358 1.00 36.09 CATOM8328 SG CYS A 53329.334 61.466 13.213 1.00 39.92 SATOM8329 CCYS A 53330.063 58.203 15.759 1.00 36.18 CATOM8330 OCYS A 53330.108 58.322 16.983 1.00 36.08 OATOM8331 NTHR A 53429.818 57.046 15.150 1.00 35.95 NATOM8333 CA THR A 53429.503 55.816 15.873 1.00 35.76 CATOM8335 CB THR A 53429.125 54.688 14.880 1.00 36.03 CATOM8337 OG1 THR A 53427.973 55.067 14.133 1.00 35.30 OATOM8339 CG2 THR A 53428.655 53.425 15.614 1.00 36.40 CATOM8343 CTHR A 53430.689 55.379 16.727 1.00 35.58 CATOM8344 OTHR A 53430.546 55.141 17.929 1.00 34.96 OATOM8345 NSER A 53531.856 55.299 16.092 1.00 34.75 NATOM8347 CA SER A 53533.083 54.945 16.781 1.00 34.35 CATOM8349 CB SER A 53534.270 54.920 15.824 1.00 34.01 CATOM8352 OG SER A 53535.467 54.814 16.558 1.00 33.84 OATOM8354 CSER A 53533.378 55.868 17.959 1.00 34.16 CATOM8355 OSER A 53533.742 55.399 19.021 1.00 34.36 OATOM8356 NALA A 53633.230 57.169 17.757 1.00 33.88 NATOM8358 CA ALA A 53633.476 58.157 18.809 1.00 34.12 CATOM8360 CB ALA A 53633.364 59.547 18.240 1.00 34.09 CATOM8364 CALA A 53632.515 58.001 20.007 1.00 34.43 CATOM8365 OALA A 53632.925 58.083 21.170 1.00 34.12 OATOM8366 NVAL A 53731.241 57.780 19.712 1.00 34.41 NATOM8368 CA VAL A 53730.234 57.598 20.752 1.00 35.16 CATOM8370 CB VAL A 53728.820 57.537 20.155 1.00 35.06 CATOM8372 CG1 VAL A 53727.812 57.006 21.178 1.00 35.91 CATOM8376 CG2 VAL A 53728.412 58.926 19.659 1.00 34.87 CATOM8380 CVAL A 53730.535 56.337 21.565 1.00 35.48 CATOM8381 OVAL A 53730.452 56.356 22.784 1.00 35.08 OATOM8382 NMET A 53830.933 55.268 20.877 1.00 36.39 NATOM8384 CA MET A 53831.251 53.992 21.506 1.00 36.82 CATOM8386 CB MET A 53831.595 52.943 20.448 1.00 37.07 CATOM8389 CG MET A 53830.401 52.467 19.638 1.00 38.01 CATOM8392 SD MET A 53830.863 51.225 18.430 1.00 38.56 SATOM8393 CE MET A 53831.623 52.032 17.405 1.00 41.60 CATOM8397 CMET A 53832.421 54.123 22.463 1.00 37.57 CATOM8398 OMET A 53832.336 53.682 23.604 1.00 37.70 OATOM8399 NGLN A 53933.520 54.715 22.002 1.00 38.01 NATOM8401 CA GLN A 53934.672 54.938 22.879 1.00 38.43 CATOM8403 CB GLN A 53935.805 55.648 22.144 1.00 38.34 CATOM8406 CG GLN A 53936.408 54.879 20.982 1.00 37.37 CATOM8409 CD GLN A 53937.264 55.789 20.115 1.00 38.60 CATOM8410 OE1 GLN A 53938.222 56.392 20.616 1.00 35.71 O
ATOM8411 NE2 GLN A 53936.897 55.931 18.828 1.00 36.48 NATOM8414 CGLN A 53934.283 55.755 24.119 1.00 38.89 CATOM8415 OGLN A 53934.731 55.457 25.222 1.00 39.07 OATOM8416 NALA A 54033.435 56.765 23.940 1.00 39.25 NATOM8418 CA ALA A 54033.033 57.637 25.041 1.00 39.89 CATOM8420 CB ALA A 54032.344 58.888 24.514 1.00 39.94 CATOM8424 CALA A 54032.141 56.946 26.077 1.00 40.31 CATOM8425 OALA A 54032.352 57.110 27.268 1.00 39.87 OATOM8426 NLEU A 54131.147 56.189 25.623 1.00 41.32 NATOM8428 CA LEU A 54130.292 55.410 26.520 1.00 42.32 CATOM8430 CB LEU A 54129.082 54.848 25.778 1.00 41.96 CATOM8433 CG LEU A 54128.099 55.880 25.239 1.00 40.88 CATOM8435 CD1 LEU A 54127.089 55.209 24.351 1.00 40.19 CATOM8439 CD2 LEU A 54127.423 56.643 26.368 1.00 39.77 CATOM8443 CLEU A 54131.050 54.261 27.192 1.00 43.84 CATOM8444 OLEU A 54130.821 53.991 28.354 1.00 43.47 OATOM8445 NLYS A 54231.947 53.601 26.463 1.00 45.62 NATOM8447 CA LYS A 54232.777 52.527 27.029 1.00 47.63 CATOM8449 CB LYS A 54233.734 51.945 25.981 1.00 47.75 CATOM8452 CG LYS A 54234.632 50.783 26.488 1.00 48.96 CATOM8455 CD LYS A 54234.002 49.422 26.232 1.00 51.23 CATOM8458 CE LYS A 54234.827 48.278 26.837 1.00 52.46 CATOM8461 NZ LYS A 54234.163 46.950 26.684 1.00 52.66 NATOM8465 CLYS A 54233.599 53.022 28.211 1.00 48.80 CATOM8466 OLYS A 54233.694 52.348 29.235 1.00 48.97 OATOM8467 NTYR A 54334.184 54.204 28.053 1.00 50.26 NATOM8469 CA TYR A 54335.076 54.759 29.058 1.00 51.16 CATOM8471 CB TYR A 54335.922 55.892 28.470 1.00 51.41 CATOM8474 CG TYR A 54337.087 56.269 29.349 1.00 53.91 CATOM8475 CD1 TYR A 54337.041 57.419 30.131 1.00 56.20 CATOM8477 CE1 TYR A 54338.101 57.771 30.957 1.00 57.64 CATOM8479 CZ TYR A 54339.226 56.970 31.013 1.00 58.32 CATOM8480 OH TYR A 54340.263 57.346 31.843 1.00 60.58 OATOM8482 CE2 TYR A 54339.301 55.813 30.249 1.00 57.55 CATOM8484 CD2 TYR A 54338.227 55.467 29.420 1.00 56.53 CATOM8486 CTYR A 54334.253 55.232 30.247 1.00 51.34 CATOM8487 OTYR A 54334.621 54.998 31.405 1.00 51.15 OATOM8488 NPHE A 54433.125 55.867 29.957 1.00 51.63 NATOM8490 CA PHE A 54432.204 56.310 30.993 1.00 52.03 CATOM8492 CB PHE A 54431.002 57.008 30.366 1.00 51.71 CATOM8495 CG PHE A 54429.888 57.285 31.325 1.00 49.95 CATOM8496 CD1 PHE A 54429.893 58.432 32.095 1.00 48.02 CATOM8498 CE1 PHE A 54428.855 58.702 32.982 1.00 48.60 CATOM8500 CZ PHE A 54427.804 57.805 33.115 1.00 48.96 CATOM8502 CE2 PHE A 54427.791 56.644 32.358 1.00 49.41 CATOM8504 CD2 PHE A 54428.832 56.387 31.465 1.00 50.14 CATOM8506 CPHE A 54431.746 55.109 31.810 1.00 53.49 CATOM8507 OPHE A 54431.614 55.196 33.032 1.00 52.32 OATOM8508 NHIS A 54531.542 53.981 31.130 1.00 55.39 NATOM8510 CA HIS A 54531.010 52.809 31.790 1.00 57.26 CATOM8512 CB HIS A 54530.366 51.842 30.819 1.00 57.78 CATOM8515 CG HIS A 54529.103 51.286 31.369 1.00 61.18 CATOM8516 ND1 HIS A 54529.056 50.722 32.627 1.00 65.28 NATOM8518 CE1 HIS A 54527.806 50.377 32.891 1.00 66.39 CATOM8520 NE2 HIS A 54527.051 50.708 31.860 1.00 66.35 NATOM8522 CD2 HIS A 54527.841 51.299 30.911 1.00 64.59 CATOM8524 CHIS A 54531.987 52.042 32.651 1.00 57.91 CATOM8525 OHIS A 54531.575 51.375 33.595 1.00 57.89 OATOM8526 NLYS A 54633.265 52.120 32.312 1.00 58.94 NATOM8528 CA LYS A 54634.321 51.612 33.176 1.00 60.01 CATOM8530 CB LYS A 54635.702 51.878 32.547 1.00 60.14 CATOM8533 CG LYS A 54636.869 51.128 33.195 1.00 61.68 CATOM8536 CD LYS A 54638.185 51.244 32.394 1.00 62.50 CATOM8539 CE LYS A 54639.095 52.363 32.932 1.00 63.46 CATOM8542 NZ LYS A 54640.508 52.287 32.423 1.00 63.82 NATOM8546 CLYS A 54634.214 52.294 34.546 1.00 60.36 CATOM8547 OLYS A 54634.222 51.623 35.583 1.00 60.47 OATOM8548 NARG A 54734.049 53.614 34.532 1.00 60.82 NATOM8550 CA ARG A 54734.142 54.436 35.740 1.00 61.54 CATOM8552 CB ARG A 54734.789 55.787 35.394 1.00 62.10 CATOM8555 CG ARG A 54735.452 56.500 36.579 1.00 64.24 CATOM8558 CD ARG A 54736.908 56.931 36.325 1.00 66.98 CATOM8561 NE ARG A 54737.579 57.397 37.541 1.00 68.91 NATOM8563 CZ ARG A 54737.325 58.545 38.167 1.00 70.69 CATOM8564 NH1 ARG A 54736.403 59.391 37.711 1.00 71.07 NATOM8567 NH2 ARG A 54738.002 58.852 39.272 1.00 71.83 NATOM8570 CARG A 54732.815 54.685 36.456 1.00 61.34 C
ATOM8571 OARG A 54732.808 55.182 37.585 1.00 61.54 OATOM8572 NPHE A 54831.701 54.349 35.809 1.00 61.00 NATOM8574 CA PHE A 54830.372 54.540 36.391 1.00 60.89 CATOM8576 CB PHE A 54829.732 55.820 35.864 1.00 61.01 CATOM8579 CG PHE A 54830.436 57.075 36.293 1.00 62.09 CATOM8580 CD1 PHE A 54830.130 57.676 37.511 1.00 62.70 CATOM8582 CE1 PHE A 54830.779 58.841 37.911 1.00 63.17 CATOM8584 CZ PHE A 54831.740 59.410 37.088 1.00 63.25 CATOM8586 CE2 PHE A 54832.047 58.815 35.868 1.00 62.60 CATOM8588 CD2 PHE A 54831.396 57.662 35.477 1.00 61.97 CATOM8590 CPHE A 54829.502 53.329 36.042 1.00 60.67 CATOM8591 OPHE A 54828.509 53.462 35.324 1.00 60.29 OATOM8592 NPRO A 54929.857 52.155 36.568 1.00 60.51 NATOM8593 CA PRO A 54929.270 50.894 36.091 1.00 60.40 CATOM8595 CB PRO A 54930.098 49.819 36.800 1.00 60.41 CATOM8598 CG PRO A 54931.260 50.550 37.423 1.00 60.65 CATOM8601 CD PRO A 54930.791 51.931 37.687 1.00 60.35 CATOM8604 CPRO A 54927.779 50.728 36.409 1.00 60.26 CATOM8605 OPRO A 54927.102 49.984 35.711 1.00 60.31 OATOM8606 NGLU A 55027.267 51.413 37.421 1.00 60.00 NATOM8608 CA GLU A 55025.864 51.245 37.779 1.00 60.13 CATOM8610 CB GLU A 55025.651 51.453 39.288 1.00 60.74 CATOM8613 CG GLU A 55024.444 50.682 39.833 1.00 63.01 CATOM8616 CD GLU A 55024.427 50.563 41.353 1.00 65.59 CATOM8617 OE1 GLU A 55025.445 50.104 41.933 1.00 67.04 OATOM8618 OE2 GLU A 55023.387 50.916 41.966 1.00 67.15 OATOM8619 CGLU A 55024.909 52.135 36.987 1.00 59.23 CATOM8620 OGLU A 55023.695 52.021 37.159 1.00 59.48 OATOM8621 NHIS A 55125.429 53.014 36.125 1.00 57.94 NATOM8623 CA HIS A 55124.570 53.966 35.421 1.00 56.75 CATOM8625 CB HIS A 55125.197 55.347 35.337 1.00 56.59 CATOM8628 CG HIS A 55124.208 56.424 35.015 1.00 56.12 CATOM8629 ND1 HIS A 55124.210 57.101 33.812 1.00 55.69 NATOM8631 CE1 HIS A 55123.220 57.975 33.801 1.00 55.94 CATOM8633 NE2 HIS A 55122.576 57.890 34.953 1.00 56.55 NATOM8635 CD2 HIS A 55123.171 56.924 35.726 1.00 56.04 CATOM8637 CHIS A 55124.160 53.517 34.023 1.00 55.93 CATOM8638 OHIS A 55124.986 53.458 33.100 1.00 55.56 OATOM8639 NARG A 55222.869 53.210 33.901 1.00 54.79 NATOM8641 CA ARG A 55222.221 52.874 32.641 1.00 54.03 CATOM8643 CB ARG A 55222.039 54.137 31.796 1.00 54.06 CATOM8646 CG ARG A 55221.140 55.180 32.452 1.00 53.20 CATOM8649 CD ARG A 55220.932 56.435 31.629 1.00 53.30 CATOM8652 NE ARG A 55220.066 56.204 30.470 1.00 51.91 NATOM8654 CZ ARG A 55219.511 57.170 29.743 1.00 50.67 CATOM8655 NH1 ARG A 55219.734 58.448 30.028 1.00 51.21 NATOM8658 NH2 ARG A 55218.735 56.858 28.713 1.00 50.08 NATOM8661 CARG A 55223.000 51.807 31.888 1.00 53.62 CATOM8662 OARG A 55223.186 51.887 30.671 1.00 53.46 OATOM8663 NALA A 55323.439 50.798 32.635 1.00 52.76 NATOM8665 CA ALA A 55324.376 49.801 32.136 1.00 52.17 CATOM8667 CB ALA A 55324.861 48.917 33.285 1.00 52.37 CATOM8671 CALA A 55323.840 48.933 31.003 1.00 51.67 CATOM8672 OALA A 55324.585 48.599 30.083 1.00 51.35 OATOM8673 NALA A 55422.565 48.557 31.080 1.00 50.82 NATOM8675 CA ALA A 55421.970 47.666 30.094 1.00 50.41 CATOM8677 CB ALA A 55420.592 47.151 30.572 1.00 50.33 CATOM8681 CALA A 55421.838 48.328 28.726 1.00 49.99 CATOM8682 OALA A 55422.094 47.687 27.712 1.00 50.26 OATOM8683 NGLU A 55521.418 49.589 28.684 1.00 49.57 NATOM8685 CA GLU A 55521.276 50.267 27.393 1.00 49.29 CATOM8687 CB GLU A 55520.220 51.380 27.419 1.00 49.44 CATOM8690 CG GLU A 55520.448 52.528 28.367 1.00 50.57 CATOM8693 CD GLU A 55519.142 53.253 28.688 1.00 51.86 CATOM8694 OE1 GLU A 55518.835 53.438 29.891 1.00 52.93 OATOM8695 OE2 GLU A 55518.431 53.643 27.734 1.00 49.69 OATOM8696 CGLU A 55522.615 50.726 26.795 1.00 48.36 CATOM8697 OGLU A 55522.749 50.765 25.584 1.00 47.75 OATOM8698 NILE A 55623.605 51.035 27.631 1.00 47.52 NATOM8700 CA ILE A 55624.942 51.335 27.135 1.00 47.09 CATOM8702 CB ILE A 55625.839 51.939 28.231 1.00 46.78 CATOM8704 CG1 ILE A 55625.359 53.351 28.582 1.00 46.94 CATOM8707 CD1 ILE A 55626.019 53.954 29.832 1.00 46.53 CATOM8711 CG2 ILE A 55627.304 51.982 27.764 1.00 47.09 CATOM8715 CILE A 55625.591 50.085 26.538 1.00 47.14 CATOM8716 OILE A 55626.196 50.165 25.472 1.00 46.72 OATOM8717 NARG A 55725.457 48.943 27.217 1.00 46.85 N
ATOM8719 CA ARG A 55726.008 47.676 26.724 1.00 47.18 CATOM8721 CB ARG A 55725.741 46.528 27.714 1.00 47.70 CATOM8724 CG ARG A 55726.860 46.240 28.701 1.00 49.49 CATOM8727 CD ARG A 55726.640 44.945 29.500 1.00 52.33 CATOM8730 NE ARG A 55726.539 45.199 30.937 1.00 55.60 NATOM8732 CZ ARG A 55727.564 45.519 31.734 1.00 58.42 CATOM8733 NH1 ARG A 55728.806 45.625 31.250 1.00 58.98 NATOM8736 NH2 ARG A 55727.347 45.733 33.034 1.00 59.55 NATOM8739 C ARG A 55725.407 47.289 25.373 1.00 46.61 CATOM8740 O ARG A 55726.112 46.796 24.489 1.00 46.34 OATOM8741 N GLU A 55824.094 47.483 25.245 1.00 45.91 NATOM8743 CA GLU A 55823.375 47.180 24.017 1.00 45.82 CATOM8745 CB GLU A 55821.851 47.241 24.239 1.00 45.93 CATOM8748 CG GLU A 55821.033 46.715 23.065 1.00 47.92 CATOM8751 CD GLU A 55819.524 46.784 23.286 1.00 50.84 CATOM8752 OE1 GLU A 55818.959 47.896 23.434 1.00 51.86 OATOM8753 OE2 GLU A 55818.885 45.717 23.305 1.00 54.04 OATOM8754 C GLU A 55823.806 48.182 22.948 1.00 44.71 CATOM8755 O GLU A 55823.968 47.822 21.788 1.00 44.53 OATOM8756 N THR A 55924.006 49.433 23.351 1.00 43.89 NATOM8758 CA THR A 55924.443 50.476 22.422 1.00 43.23 CATOM8760 CB THR A 55924.468 51.842 23.106 1.00 42.82 CATOM8762 OG1 THR A 55923.136 52.235 23.433 1.00 42.32 OATOM8764 CG2 THR A 55924.941 52.933 22.138 1.00 43.20 CATOM8768 C THR A 55925.810 50.138 21.820 1.00 42.58 CATOM8769 O THR A 55926.015 50.300 20.621 1.00 42.48 OATOM8770 N LEU A 56026.718 49.633 22.645 1.00 42.10 NATOM8772 CA LEU A 56028.059 49.271 22.190 1.00 42.24 CATOM8774 CB LEU A 56028.964 48.991 23.386 1.00 42.37 CATOM8777 CG LEU A 56029.285 50.187 24.284 1.00 42.39 CATOM8779 CD1 LEU A 56029.954 49.705 25.563 1.00 42.32 CATOM8783 CD2 LEU A 56030.165 51.203 23.564 1.00 41.75 CATOM8787 C LEU A 56028.049 48.066 21.248 1.00 42.27 CATOM8788 O LEU A 56028.762 48.059 20.249 1.00 41.80 OATOM8789 N THR A 56127.227 47.059 21.565 1.00 42.50 NATOM8791 CA THR A 56127.099 45.850 20.746 1.00 42.41 CATOM8793 CB THR A 56126.180 44.806 21.444 1.00 42.66 CATOM8795 OG1 THR A 56126.892 44.159 22.503 1.00 43.53 OATOM8797 CG2 THR A 56125.824 43.654 20.499 1.00 42.92 CATOM8801 C THR A 56126.541 46.175 19.360 1.00 42.07 CATOM8802 O THR A 56127.113 45.779 18.342 1.00 42.10 OATOM8803 N GLN A 56225.416 46.881 19.328 1.00 41.38 NATOM8805 CA GLN A 56224.816 47.300 18.070 1.00 41.26 CATOM8807 CB GLN A 56223.452 47.935 18.307 1.00 41.38 CATOM8810 CG GLN A 56222.370 46.953 18.727 1.00 42.45 CATOM8813 CD GLN A 56221.157 47.642 19.308 1.00 43.78 CATOM8814 OE1 GLN A 56221.135 48.862 19.467 1.00 46.13 OATOM8815 NE2 GLN A 56220.134 46.875 19.679 1.00 45.51 NATOM8818 C GLN A 56225.726 48.290 17.329 1.00 40.74 CATOM8819 O GLN A 56225.687 48.365 16.111 1.00 40.44 OATOM8820 N GLY A 56326.531 49.032 18.082 1.00 40.39 NATOM8822 CA GLY A 56327.508 49.955 17.529 1.00 40.20 CATOM8825 C GLY A 56328.562 49.242 16.710 1.00 40.10 CATOM8826 O GLY A 56328.778 49.592 15.542 1.00 39.45 OATOM8827 N LEU A 56429.201 48.237 17.312 1.00 40.14 NATOM8829 CA LEU A 56430.175 47.395 16.602 1.00 40.35 CATOM8831 CB LEU A 56430.720 46.305 17.521 1.00 40.53 CATOM8834 CG LEU A 56431.937 45.535 17.001 1.00 41.00 CATOM8836 CD1 LEU A 56433.147 46.463 16.854 1.00 41.11 CATOM8840 CD2 LEU A 56432.262 44.364 17.929 1.00 41.32 CATOM8844 C LEU A 56429.597 46.745 15.339 1.00 40.43 CATOM8845 O LEU A 56430.285 46.643 14.323 1.00 40.16 OATOM8846 N GLU A 56528.347 46.304 15.411 1.00 40.50 NATOM8848 CA GLU A 56527.676 45.691 14.268 1.00 41.20 CATOM8850 CB GLU A 56526.296 45.115 14.660 1.00 41.71 CATOM8853 CG GLU A 56526.341 43.814 15.448 1.00 44.21 CATOM8856 CD GLU A 56527.340 42.829 14.865 1.00 48.12 CATOM8857 OE1 GLU A 56527.192 42.476 13.666 1.00 48.58 OATOM8858 OE2 GLU A 56528.293 42.437 15.598 1.00 48.98 OATOM8859 C GLU A 56527.495 46.665 13.106 1.00 40.70 CATOM8860 O GLU A 56527.687 46.283 11.961 1.00 40.58 OATOM8861 N PHE A 56627.093 47.899 13.406 1.00 40.17 NATOM8863 CA PHE A 56627.030 48.968 12.407 1.00 40.09 CATOM8865 CB PHE A 56626.528 50.267 13.047 1.00 40.27 CATOM8868 CG PHE A 56626.509 51.445 12.109 1.00 40.42 CATOM8869 CD1 PHE A 56627.545 52.358 12.107 1.00 40.01 CATOM8871 CE1 PHE A 56627.529 53.440 11.245 1.00 41.14 C
ATOM8873 CZPHE A 56626.464 53.620 10.371 1.00 40.90 CATOM8875 CE2 PHE A 56625.431 52.716 10.360 1.00 41.09 CATOM8877 CD2 PHE A 56625.451 51.633 11.231 1.00 41.25 CATOM8879 C PHE A 56628.392 49.196 11.748 1.00 39.76 CATOM8880 O PHE A 56628.484 49.244 10.530 1.00 39.35 OATOM8881 N CYS A 56729.446 49.319 12.549 1.00 39.74 NATOM8883 CACYS A 56730.792 49.504 12.008 1.00 39.97 CATOM8885 CBCYS A 56731.809 49.674 13.133 1.00 39.84 CATOM8888 SGCYS A 56731.595 51.212 14.044 1.00 39.49 SATOM8889 C CYS A 56731.195 48.349 11.092 1.00 40.27 CATOM8890 O CYS A 56731.772 48.566 10.027 1.00 40.29 OATOM8891 N ARG A 56830.857 47.132 11.501 1.00 40.98 NATOM8893 CAARG A 56831.132 45.921 10.718 1.00 41.61 CATOM8895 CBARG A 56830.689 44.681 11.506 1.00 41.54 CATOM8898 CGARG A 56831.099 43.335 10.926 1.00 43.42 CATOM8901 CDARG A 56830.389 42.133 11.583 1.00 45.18 CATOM8904 NEARG A 56830.402 42.236 13.049 1.00 48.24 NATOM8906 CZARG A 56831.345 41.734 13.852 1.00 50.25 CATOM8907 NH1 ARG A 56832.379 41.060 13.362 1.00 52.28 NATOM8910 NH2 ARG A 56831.255 41.897 15.164 1.00 51.15 NATOM8913 C ARG A 56830.420 45.973 9.365 1.00 41.67 CATOM8914 O ARG A 56831.028 45.689 8.336 1.00 41.76 OATOM8915 N ARG A 56929.147 46.354 9.377 1.00 41.83 NATOM8917 CAARG A 56928.339 46.428 8.152 1.00 42.49 CATOM8919 CBARG A 56926.867 46.669 8.481 1.00 42.84 CATOM8922 CGARG A 56926.141 45.454 9.035 1.00 46.84 CATOM8925 CDARG A 56924.736 45.779 9.529 1.00 51.69 CATOM8928 NEARG A 56924.211 44.770 10.453 1.00 56.52 NATOM8930 CZARG A 56923.666 43.604 10.081 1.00 59.92 CATOM8931 NH1 ARG A 56923.573 43.267 8.793 1.00 62.17 NATOM8934 NH2 ARG A 56923.209 42.766 11.004 1.00 60.37 NATOM8937 C ARG A 56928.814 47.525 7.197 1.00 41.40 CATOM8938 O ARG A 56928.684 47.376 5.986 1.00 41.36 OATOM8939 N GLN A 57029.355 48.614 7.746 1.00 40.37 NATOM8941 CAGLN A 57029.790 49.756 6.943 1.00 40.10 CATOM8943 CBGLN A 57029.786 51.054 7.770 1.00 40.25 CATOM8946 CGGLN A 57028.392 51.547 8.176 1.00 41.93 CATOM8949 CDGLN A 57027.513 51.876 6.991 1.00 42.19 CATOM8950 OE1 GLN A 57027.814 52.780 6.236 1.00 46.55 OATOM8951 NE2 GLN A 57026.443 51.133 6.826 1.00 43.90 NATOM8954 C GLN A 57031.171 49.549 6.330 1.00 39.28 CATOM8955 O GLN A 57031.554 50.296 5.440 1.00 38.78 OATOM8956 N GLN A 57131.918 48.558 6.815 1.00 38.66 NATOM8958 CAGLN A 57133.236 48.259 6.267 1.00 38.56 CATOM8960 CBGLN A 57133.942 47.182 7.095 1.00 38.45 CATOM8963 CGGLN A 57135.460 47.148 6.918 1.00 37.35 CATOM8966 CDGLN A 57136.132 46.005 7.691 1.00 37.42 CATOM8967 OE1 GLN A 57135.469 45.065 8.120 1.00 35.53 OATOM8968 NE2 GLN A 57137.452 46.091 7.840 1.00 37.33 NATOM8971 C GLN A 57133.109 47.791 4.814 1.00 38.53 CATOM8972 O GLN A 57132.248 46.982 4.500 1.00 38.47 OATOM8973 N ARG A 57233.942 48.334 3.932 1.00 38.34 NATOM8975 CAARG A 57234.048 47.825 2.561 1.00 38.29 CATOM8977 CBARG A 57234.843 48.781 1.679 1.00 38.17 CATOM8980 CGARG A 57234.208 50.119 1.465 1.00 37.64 CATOM8983 CDARG A 57235.012 50.990 0.549 1.00 37.51 CATOM8986 NEARG A 57234.257 52.135 0.065 1.00 37.61 NATOM8988 CZARG A 57234.629 52.900 -0.948 1.00 36.78 CATOM8989 NH1 ARG A 57235.757 52.647 -1.602 1.00 36.63 NATOM8992 NH2 ARG A 57233.857 53.917 -1.312 1.00 35.78 NATOM8995 C ARG A 57234.741 46.469 2.548 1.00 38.21 CATOM8996 O ARG A 57235.455 46.121 3.481 1.00 38.21 OATOM8997 N ALA A 57334.534 45.721 1.469 1.00 38.35 NATOM8999 CAALA A 57335.136 44.406 1.298 1.00 38.25 CATOM9001 CBALA A 57334.630 43.766 0.017 1.00 38.28 CATOM9005 C ALA A 57336.668 44.418 1.301 1.00 38.18 CATOM9006 O ALA A 57337.287 43.406 1.615 1.00 38.65 OATOM9007 N ASP A 57437.284 45.541 0.941 1.00 37.84 NATOM9009 CAASP A 57438.754 45.648 0.928 1.00 37.55 CATOM9011 CBASP A 57439.229 46.676 -0.128 1.00 37.46 CATOM9014 CGASP A 57438.732 48.106 0.144 1.00 37.34 CATOM9015 OD1 ASP A 57438.246 48.398 1.267 1.00 36.56 OATOM9016 OD2 ASP A 57438.781 49.010 -0.722 1.00 37.02 OATOM9017 C ASP A 57439.360 45.987 2.301 1.00 37.45 CATOM9018 O ASP A 57440.572 46.101 2.417 1.00 37.58 OATOM9019 N GLY A 57538.520 46.200 3.319 1.00 37.35 NATOM9021 CAGLY A 57538.977 46.486 4.677 1.00 36.93 C
ATOM9024 CGLY A 57538.833 47.9325.140 1.00 36.62 CATOM9025 OGLY A 57538.769 48.2036.347 1.00 36.72 OATOM9026 NSER A 57638.773 48.8604.187 1.00 35.84 NATOM9028 CA SER A 57638.674 50.2834.489 1.00 35.22 CATOM9030 CB SER A 57639.060 51.1133.269 1.00 35.00 CATOM9033 OG SER A 57638.132 50.9452.200 1.00 35.03 OATOM9035 CSER A 57637.279 50.6924.937 1.00 35.19 CATOM9036 OSER A 57636.289 49.9994.667 1.00 34.92 OATOM9037 NTRP A 57737.234 51.8065.658 1.00 34.85 NATOM9039 CA TRP A 57736.029 52.5985.816 1.00 35.25 CATOM9041 CB TRP A 57735.731 52.8727.285 1.00 35.02 CATOM9044 CG TRP A 57735.147 51.7428.040 1.00 35.08 CATOM9045 CD1 TRP A 57733.820 51.4938.248 1.00 35.61 CATOM9047 NE1 TRP A 57733.668 50.3719.026 1.00 35.30 NATOM9049 CE2 TRP A 57734.903 49.8669.330 1.00 35.21 CATOM9050 CD2 TRP A 57735.862 50.7128.733 1.00 35.41 CATOM9051 CE3 TRP A 57737.224 50.4148.903 1.00 34.41 CATOM9053 CZ3 TRP A 57737.572 49.3049.667 1.00 35.23 CATOM9055 CH2 TRP A 57736.589 48.49510.259 1.00 35.14 CATOM9057 CZ2 TRP A 57735.256 48.75510.097 1.00 35.20 CATOM9059 CTRP A 57736.255 53.9385.134 1.00 35.24 CATOM9060 OTRP A 57737.312 54.5665.306 1.00 35.14 OATOM9061 NGLU A 57835.246 54.3744.385 1.00 35.43 NATOM9063 CA GLU A 57835.194 55.7153.809 1.00 35.53 CATOM9065 CB GLU A 57834.044 55.7672.796 1.00 35.89 CATOM9068 CG GLU A 57833.983 57.0061.913 1.00 36.16 CATOM9071 CD GLU A 57832.844 56.9410.904 1.00 37.22 CATOM9072 OE1 GLU A 57831.977 56.0531.028 1.00 38.92 OATOM9073 OE2 GLU A 57832.821 57.765-0.033 1.00 37.94 OATOM9074 CGLU A 57834.980 56.7844.877 1.00 35.46 CATOM9075 OGLU A 57834.056 56.6855.700 1.00 36.23 OATOM9076 NGLY A 57935.821 57.8104.855 1.00 34.82 NATOM9078 CA GLY A 57935.655 58.9605.722 1.00 34.53 CATOM9081 CGLY A 57934.719 59.9815.102 1.00 34.33 CATOM9082 OGLY A 57934.779 60.2453.898 1.00 35.40 OATOM9083 NSER A 58033.834 60.5485.910 1.00 33.75 NATOM9085 CA SER A 58032.889 61.5645.442 1.00 32.77 CATOM9087 CB SER A 58031.489 61.2175.922 1.00 32.46 CATOM9090 OG SER A 58031.028 60.0605.284 1.00 31.77 OATOM9092 CSER A 58033.228 62.9675.932 1.00 32.40 CATOM9093 OSER A 58032.738 63.9425.364 1.00 31.52 OATOM9094 NTRP A 58134.006 63.0517.018 1.00 32.21 NATOM9096 CA TRP A 58134.337 64.3187.679 1.00 32.24 CATOM9098 CB TRP A 58133.757 64.3229.099 1.00 32.46 CATOM9101 CG TRP A 58132.293 64.0639.024 1.00 32.22 CATOM9102 CD1 TRP A 58131.657 62.8819.241 1.00 32.32 CATOM9104 NE1 TRP A 58130.308 63.0209.031 1.00 33.04 NATOM9106 CE2 TRP A 58130.057 64.3078.648 1.00 32.88 CATOM9107 CD2 TRP A 58131.294 64.9908.633 1.00 32.33 CATOM9108 CE3 TRP A 58131.309 66.3398.272 1.00 32.72 CATOM9110 CZ3 TRP A 58130.120 66.9497.947 1.00 33.98 CATOM9112 CH2 TRP A 58128.907 66.2407.963 1.00 33.61 CATOM9114 CZ2 TRP A 58128.859 64.9228.311 1.00 32.56 CATOM9116 CTRP A 58135.822 64.6197.722 1.00 32.11 CATOM9117 OTRP A 58136.224 65.6878.160 1.00 32.31 OATOM9118 NGLY A 58236.632 63.6717.284 1.00 32.82 NATOM9120 CA GLY A 58238.069 63.8627.183 1.00 33.29 CATOM9123 CGLY A 58238.577 63.1745.939 1.00 33.81 CATOM9124 OGLY A 58237.964 62.2245.446 1.00 32.56 OATOM9125 NVAL A 58339.708 63.6425.432 1.00 34.88 NATOM9127 CA VAL A 58340.090 63.3004.074 1.00 36.03 CATOM9129 CB VAL A 58340.845 64.4573.332 1.00 35.97 CATOM9131 CG1 VAL A 58341.350 64.0322.008 1.00 35.36 CATOM9135 CG2 VAL A 58339.897 65.6253.097 1.00 35.82 CATOM9139 CVAL A 58340.775 61.9414.080 1.00 37.54 CATOM9140 OVAL A 58341.983 61.7994.271 1.00 37.73 OATOM9141 NCYS A 58439.867 60.9824.159 1.00 38.98 NATOM9143 CA CYS A 58439.647 59.9383.219 1.00 39.85 CATOM9145 CB CYS A 58440.684 59.9812.115 1.00 41.95 CATOM9148 SG CYS A 58441.085 61.5901.375 1.00 51.29 SATOM9149 CCYS A 58439.550 58.5873.920 1.00 37.62 CATOM9150 OCYS A 58438.901 58.4564.963 1.00 36.17 OATOM9151 NPHE A 58540.185 57.5843.339 1.00 35.27 NATOM9153 CA PHE A 58540.080 56.2403.831 1.00 34.12 CATOM9155 CB PHE A 58540.320 55.2842.668 1.00 33.61 CATOM9158 CG PHE A 58539.231 55.3791.630 1.00 32.34 CATOM9159 CD1 PHE A 58538.111 54.5601.716 1.00 30.58 C
ATOM9161 CE1 PHE A 58537.080 54.6690.811 1.00 30.48 CATOM9163 CZ PHE A 58537.127 55.639-0.188 1.00 30.78 CATOM9165 CE2 PHE A 58538.222 56.501-0.260 1.00 31.80 CATOM9167 CD2 PHE A 58539.264 56.3690.647 1.00 31.34 CATOM9169 CPHE A 58540.951 55.9935.072 1.00 33.56 CATOM9170 OPHE A 58540.566 55.2085.933 1.00 33.15 OATOM9171 NTHR A 58642.071 56.7075.199 1.00 32.97 NATOM9173 CA THR A 58642.868 56.6506.430 1.00 32.78 CATOM9175 CB THR A 58644.172 57.4706.325 1.00 32.24 CATOM9177 OG1 THR A 58643.894 58.7985.838 1.00 32.94 OATOM9179 CG2 THR A 58645.130 56.8485.328 1.00 32.23 CATOM9183 CTHR A 58642.052 57.1567.618 1.00 32.68 CATOM9184 OTHR A 58642.185 56.6458.717 1.00 32.23 OATOM9185 NTYR A 58741.208 58.1617.372 1.00 32.68 NATOM9187 CA TYR A 58740.387 58.7728.420 1.00 32.68 CATOM9189 CB TYR A 58739.767 60.0757.912 1.00 32.52 CATOM9192 CG TYR A 58739.052 60.9098.956 1.00 32.50 CATOM9193 CD1 TYR A 58737.648 60.9778.995 1.00 32.31 CATOM9195 CE1 TYR A 58736.993 61.7619.931 1.00 32.36 CATOM9197 CZ TYR A 58737.737 62.49310.843 1.00 33.15 CATOM9198 OH TYR A 58737.105 63.27411.780 1.00 33.96 OATOM9200 CE2 TYR A 58739.123 62.43610.830 1.00 33.30 CATOM9202 CD2 TYR A 58739.770 61.6569.885 1.00 32.84 CATOM9204 CTYR A 58739.292 57.8388.890 1.00 32.64 CATOM9205 OTYR A 58739.173 57.57510.075 1.00 32.93 OATOM9206 NGLY A 58838.476 57.3527.962 1.00 32.89 NATOM9208 CA GLY A 58837.397 56.4348.300 1.00 32.93 CATOM9211 CGLY A 58837.898 55.1288.908 1.00 33.07 CATOM9212 OGLY A 58837.305 54.6069.860 1.00 32.82 OATOM9213 NTHR A 58938.996 54.6188.360 1.00 32.73 NATOM9215 CA THR A 58939.582 53.3568.793 1.00 32.79 CATOM9217 CB THR A 58940.638 52.8567.772 1.00 32.53 CATOM9219 OG1 THR A 58940.048 52.6976.463 1.00 30.22 OATOM9221 CG2 THR A 58941.128 51.4528.123 1.00 32.24 CATOM9225 CTHR A 58940.195 53.45810.201 1.00 33.32 CATOM9226 OTHR A 58940.181 52.49410.945 1.00 33.81 OATOM9227 NTRP A 59040.724 54.62010.546 1.00 33.85 NATOM9229 CA TRP A 59041.227 54.87611.884 1.00 34.16 CATOM9231 CB TRP A 59041.828 56.29111.977 1.00 34.39 CATOM9234 CG TRP A 59042.031 56.75913.377 1.00 35.23 CATOM9235 CD1 TRP A 59042.568 56.04214.408 1.00 35.87 CATOM9237 NE1 TRP A 59042.572 56.79315.556 1.00 36.61 NATOM9239 CE2 TRP A 59042.018 58.01715.294 1.00 36.89 CATOM9240 CD2 TRP A 59041.665 58.03213.926 1.00 37.00 CATOM9241 CE3 TRP A 59041.076 59.18613.404 1.00 35.84 CATOM9243 CZ3 TRP A 59040.874 60.26514.234 1.00 36.56 CATOM9245 CH2 TRP A 59041.239 60.22115.590 1.00 36.62 CATOM9247 CZ2 TRP A 59041.813 59.11116.133 1.00 36.81 CATOM9249 CTRP A 59040.067 54.70712.865 1.00 34.48 CATOM9250 OTRP A 59040.182 53.98513.849 1.00 34.13 OATOM9251 NPHE A 59138.942 55.35112.564 1.00 34.32 NATOM9253 CA PHE A 59137.772 55.29113.432 1.00 34.70 CATOM9255 CB PHE A 59136.682 56.25712.947 1.00 34.42 CATOM9258 CG PHE A 59136.828 57.64013.491 1.00 34.11 CATOM9259 CD1 PHE A 59136.444 57.92514.791 1.00 34.56 CATOM9261 CE1 PHE A 59136.562 59.20515.304 1.00 33.88 CATOM9263 CZ PHE A 59137.096 60.21014.516 1.00 35.22 CATOM9265 CE2 PHE A 59137.487 59.93213.206 1.00 34.15 CATOM9267 CD2 PHE A 59137.354 58.66112.706 1.00 33.97 CATOM9269 CPHE A 59137.203 53.88713.564 1.00 34.76 CATOM9270 OPHE A 59136.761 53.49514.643 1.00 34.48 OATOM9271 NGLY A 59237.231 53.13712.469 1.00 34.76 NATOM9273 CA GLY A 59236.708 51.78912.453 1.00 34.98 CATOM9276 CGLY A 59237.566 50.87913.301 1.00 35.06 CATOM9277 OGLY A 59237.054 50.06514.061 1.00 35.35 OATOM9278 NLEU A 59338.880 51.01713.167 1.00 35.06 NATOM9280 CA LEU A 59339.815 50.24713.971 1.00 34.98 CATOM9282 CB LEU A 59341.248 50.43113.472 1.00 34.87 CATOM9285 CG LEU A 59341.538 49.68612.162 1.00 34.91 CATOM9287 CD1 LEU A 59342.855 50.12711.577 1.00 35.83 CATOM9291 CD2 LEU A 59341.522 48.17312.348 1.00 36.05 CATOM9295 CLEU A 59339.707 50.59515.448 1.00 35.07 CATOM9296 OLEU A 59339.880 49.72016.289 1.00 35.43 OATOM9297 NGLU A 59439.394 51.85115.764 1.00 35.15 NATOM9299 CA GLU A 59439.279 52.27417.159 1.00 35.52 CATOM9301 CB GLU A 59439.272 53.80017.288 1.00 35.42 CATOM9304 CG GLU A 59440.608 54.46416.970 1.00 35.50 C
ATOM9307 CDGLU A 59441.616 54.417 18.100 1.00 36.69 CATOM9308 OE1 GLU A 59441.411 53.702 19.102 1.00 37.89 OATOM9309 OE2 GLU A 59442.645 55.097 17.982 1.00 39.00 OATOM9310 C GLU A 59438.037 51.665 17.820 1.00 35.92 CATOM9311 O GLU A 59438.059 51.337 19.013 1.00 35.66 OATOM9312 N ALA A 59536.978 51.497 17.030 1.00 36.21 NATOM9314 CAALA A 59535.731 50.911 17.498 1.00 36.29 CATOM9316 CBALA A 59534.631 51.117 16.461 1.00 36.32 CATOM9320 C ALA A 59535.911 49.424 17.796 1.00 36.65 CATOM9321 O ALA A 59535.450 48.922 18.826 1.00 36.41 OATOM9322 N PHE A 59636.579 48.721 16.887 1.00 36.64 NATOM9324 CAPHE A 59636.888 47.325 17.107 1.00 36.98 CATOM9326 CBPHE A 59637.500 46.673 15.855 1.00 36.97 CATOM9329 CGPHE A 59636.473 46.108 14.914 1.00 37.32 CATOM9330 CD1 PHE A 59636.187 44.748 14.907 1.00 39.78 CATOM9332 CE1 PHE A 59635.205 44.225 14.053 1.00 39.20 CATOM9334 CZPHE A 59634.515 45.069 13.203 1.00 38.42 CATOM9336 CE2 PHE A 59634.788 46.428 13.208 1.00 38.64 CATOM9338 CD2 PHE A 59635.758 46.939 14.063 1.00 37.42 CATOM9340 C PHE A 59637.787 47.175 18.342 1.00 37.35 CATOM9341 O PHE A 59637.545 46.292 19.156 1.00 37.52 OATOM9342 N ALA A 59738.767 48.064 18.509 1.00 37.57 NATOM9344 CAALA A 59739.713 47.974 19.621 1.00 38.26 CATOM9346 CBALA A 59740.859 48.952 19.441 1.00 38.10 CATOM9350 C ALA A 59739.053 48.182 20.990 1.00 39.13 CATOM9351 O ALA A 59739.376 47.478 21.944 1.00 39.13 OATOM9352 N CYS A 59838.134 49.140 21.092 1.00 40.04 NATOM9354 CACYS A 59837.522 49.455 22.379 1.00 40.71 CATOM9356 CBCYS A 59836.885 50.855 22.369 1.00 40.84 CATOM9359 SGCYS A 59835.209 50.988 21.664 1.00 41.73 SATOM9360 C CYS A 59836.528 48.358 22.784 1.00 41.16 CATOM9361 O CYS A 59836.122 48.290 23.938 1.00 41.70 OATOM9362 N MET A 59936.172 47.492 21.835 1.00 41.76 NATOM9364 CAMET A 59935.337 46.320 22.089 1.00 42.06 CATOM9366 CBMET A 59934.312 46.162 20.954 1.00 42.39 CATOM9369 CGMET A 59933.367 47.340 20.789 1.00 42.13 CATOM9372 SDMET A 59932.226 47.528 22.186 1.00 43.89 SATOM9373 CEMET A 59931.260 45.979 22.074 1.00 44.06 CATOM9377 C MET A 59936.142 45.024 22.233 1.00 42.60 CATOM9378 O MET A 59935.577 43.935 22.198 1.00 42.95 OATOM9379 N GLY A 60037.460 45.138 22.383 1.00 43.49 NATOM9381 CAGLY A 60038.322 43.995 22.638 1.00 43.79 CATOM9384 C GLY A 60038.812 43.205 21.432 1.00 44.23 CATOM9385 O GLY A 60039.381 42.121 21.607 1.00 44.57 OATOM9386 N GLN A 60138.600 43.720 20.220 1.00 44.27 NATOM9388 CAGLN A 60139.049 43.041 19.005 1.00 44.42 CATOM9390 CBGLN A 60138.004 43.148 17.886 1.00 44.54 CATOM9393 CGGLN A 60136.718 42.399 18.161 1.00 46.42 CATOM9396 CDGLN A 60136.947 40.920 18.400 1.00 49.40 CATOM9397 OE1 GLN A 60137.786 40.285 17.740 1.00 50.66 OATOM9398 NE2 GLN A 60136.232 40.372 19.365 1.00 52.02 NATOM9401 C GLN A 60140.371 43.626 18.535 1.00 44.39 CATOM9402 O GLN A 60140.407 44.609 17.791 1.00 44.54 OATOM9403 N THR A 60241.459 43.019 18.991 1.00 44.29 NATOM9405 CATHR A 60242.789 43.397 18.565 1.00 44.33 CATOM9407 CBTHR A 60243.593 43.972 19.759 1.00 44.59 CATOM9409 OG1 THR A 60243.911 42.929 20.688 1.00 44.14 OATOM9411 CG2 THR A 60242.751 44.965 20.573 1.00 44.90 CATOM9415 C THR A 60243.500 42.183 18.000 1.00 44.47 CATOM9416 O THR A 60242.930 41.095 17.919 1.00 44.01 OATOM9417 N TYR A 60344.750 42.378 17.602 1.00 44.76 NATOM9419 CATYR A 60345.636 41.264 17.320 1.00 45.51 CATOM9421 CBTYR A 60346.899 41.725 16.586 1.00 45.25 CATOM9424 CGTYR A 60346.722 41.791 15.088 1.00 44.17 CATOM9425 CD1 TYR A 60346.113 42.892 14.488 1.00 43.55 CATOM9427 CE1 TYR A 60345.942 42.956 13.116 1.00 44.04 CATOM9429 CZTYR A 60346.375 41.906 12.322 1.00 44.24 CATOM9430 OHTYR A 60346.212 41.975 10.972 1.00 44.21 OATOM9432 CE2 TYR A 60346.978 40.794 12.891 1.00 43.96 CATOM9434 CD2 TYR A 60347.146 40.743 14.269 1.00 43.68 CATOM9436 C TYR A 60345.987 40.523 18.616 1.00 46.78 CATOM9437 O TYR A 60346.212 41.136 19.651 1.00 46.75 OATOM9438 N ARG A 60446.009 39.197 18.516 1.00 48.55 NATOM9440 CAARG A 60446.264 38.255 19.609 1.00 50.01 CATOM9442 CBARG A 60444.967 37.518 19.996 1.00 50.37 CATOM9445 CGARG A 60444.223 37.984 21.213 1.00 52.11 CATOM9448 CDARG A 60444.837 37.536 22.542 1.00 53.21 C
ATOM9451 NE ARG A 60444.478 38.47623.599 1.00 53.70 NATOM9453 CZ ARG A 60444.842 39.75923.627 1.00 54.49 CATOM9454 NH1 ARG A 60445.614 40.27522.672 1.00 57.70 NATOM9457 NH2 ARG A 60444.455 40.53824.620 1.00 52.98 NATOM9460 CARG A 60447.192 37.18519.057 1.00 50.36 CATOM9461 OARG A 60446.787 36.44918.155 1.00 50.07 OATOM9462 NASP A 60548.404 37.07819.593 1.00 51.23 NATOM9464 CA ASP A 60549.321 35.98219.243 1.00 51.91 CATOM9466 CB ASP A 60548.600 34.60919.282 1.00 52.37 CATOM9469 CG ASP A 60548.182 34.19820.715 1.00 53.89 CATOM9470 OD1 ASP A 60549.017 34.35821.626 1.00 56.05 OATOM9471 OD2 ASP A 60547.069 33.70821.034 1.00 54.87 OATOM9472 CASP A 60550.030 36.22817.900 1.00 51.87 CATOM9473 OASP A 60551.271 36.21817.835 1.00 53.34 OATOM9474 NGLY A 60649.258 36.42016.838 1.00 50.86 NATOM9476 CA GLY A 60649.734 37.06315.617 1.00 49.78 CATOM9479 CGLY A 60648.605 37.20414.603 1.00 48.84 CATOM9480 OGLY A 60648.821 37.22013.402 1.00 48.34 OATOM9481 NTHR A 60747.389 37.34515.115 1.00 48.20 NATOM9483 CA THR A 60746.182 37.09114.344 1.00 47.75 CATOM9485 CB THR A 60745.895 35.55414.396 1.00 48.00 CATOM9487 OG1 THR A 60745.827 35.02113.065 1.00 49.54 OATOM9489 CG2 THR A 60744.538 35.19815.027 1.00 48.14 CATOM9493 CTHR A 60745.007 37.93414.877 1.00 46.79 CATOM9494 OTHR A 60744.976 38.28416.046 1.00 45.71 OATOM9495 NALA A 60844.054 38.24714.005 1.00 46.03 NATOM9497 CA ALA A 60842.885 39.05614.356 1.00 45.65 CATOM9499 CB ALA A 60843.160 40.51614.067 1.00 45.67 CATOM9503 CALA A 60841.644 38.58713.596 1.00 45.24 CATOM9504 OALA A 60841.764 37.80312.662 1.00 45.09 OATOM9505 NCYS A 60940.474 39.13013.953 1.00 45.00 NATOM9507 CA CYS A 60939.161 38.58413.545 1.00 45.07 CATOM9509 CB CYS A 60938.009 39.43014.112 1.00 44.83 CATOM9512 SG CYS A 60938.140 41.23613.964 1.00 43.21 SATOM9513 CCYS A 60938.895 38.27912.037 1.00 45.79 CATOM9514 OCYS A 60938.468 37.15511.687 1.00 47.65 OATOM9515 NALA A 61039.054 39.29011.195 1.00 44.77 NATOM9517 CA ALA A 61038.949 39.2109.718 1.00 44.39 CATOM9519 CB ALA A 61037.809 38.3199.245 1.00 44.25 CATOM9523 CALA A 61038.735 40.6549.249 1.00 43.47 CATOM9524 OALA A 61039.392 41.1258.337 1.00 42.86 OATOM9525 NGLU A 61137.826 41.3429.941 1.00 42.71 NATOM9527 CA GLU A 61137.580 42.7709.760 1.00 42.21 CATOM9529 CB GLU A 61136.449 43.23310.695 1.00 42.32 CATOM9532 CG GLU A 61135.065 42.66910.370 1.00 42.53 CATOM9535 CD GLU A 61134.767 41.29410.984 1.00 44.66 CATOM9536 OE1 GLU A 61135.523 40.80111.865 1.00 45.33 OATOM9537 OE2 GLU A 61133.758 40.68410.571 1.00 45.85 OATOM9538 CGLU A 61138.862 43.55910.049 1.00 41.47 CATOM9539 OGLU A 61139.334 44.3319.216 1.00 41.02 OATOM9540 NVAL A 61239.431 43.33411.229 1.00 40.29 NATOM9542 CA VAL A 61240.651 44.02111.621 1.00 39.65 CATOM9544 CB VAL A 61241.008 43.71713.092 1.00 39.34 CATOM9546 CG1 VAL A 61242.441 44.12013.410 1.00 38.63 CATOM9550 CG2 VAL A 61240.040 44.41814.022 1.00 39.12 CATOM9554 CVAL A 61241.832 43.66410.702 1.00 39.48 CATOM9555 OVAL A 61242.636 44.52810.354 1.00 39.16 OATOM9556 NSER A 61341.937 42.39910.318 1.00 39.37 NATOM9558 CA SER A 61343.026 41.9389.450 1.00 39.96 CATOM9560 CB SER A 61342.948 40.4239.236 1.00 40.11 CATOM9563 OG SER A 61343.210 39.75910.453 1.00 42.87 OATOM9565 CSER A 61342.998 42.6218.091 1.00 39.52 CATOM9566 OSER A 61344.025 43.0897.611 1.00 39.74 OATOM9567 NARG A 61441.821 42.6647.479 1.00 39.50 NATOM9569 CA ARG A 61441.653 43.2606.151 1.00 40.07 CATOM9571 CB ARG A 61440.241 43.0185.596 1.00 40.56 CATOM9574 CG ARG A 61440.131 41.8844.596 1.00 44.67 CATOM9577 CD ARG A 61438.676 41.5554.214 1.00 49.25 CATOM9580 NE ARG A 61438.594 40.3233.427 1.00 54.23 NATOM9582 CZ ARG A 61437.622 40.0172.548 1.00 58.22 CATOM9583 NH1 ARG A 61436.594 40.8402.322 1.00 59.21 NATOM9586 NH2 ARG A 61437.674 38.8561.887 1.00 59.26 NATOM9589 CARG A 61441.914 44.7586.205 1.00 38.48 CATOM9590 OARG A 61442.529 45.3095.311 1.00 38.27 OATOM9591 NALA A 61541.429 45.4007.260 1.00 37.54 NATOM9593 CA ALA A 61541.608 46.8347.439 1.00 36.59 CATOM9595 CB ALA A 61540.868 47.3038.677 1.00 36.63 C
ATOM9599 CALA A 61543.097 47.1947.524 1.00 35.99 CATOM9600 OALA A 61543.530 48.1776.932 1.00 35.14 OATOM9601 NCYS A 61643.869 46.3798.240 1.00 35.62 NATOM9603 CA CYS A 61645.299 46.6238.447 1.00 35.56 CATOM9605 CB CYS A 61645.821 45.7629.603 1.00 35.41 CATOM9608 SG CYS A 61645.259 46.30911.253 1.00 35.61 SATOM9609 CCYS A 61646.104 46.3677.162 1.00 35.84 CATOM9610 OCYS A 61647.068 47.0756.861 1.00 35.95 OATOM9611 NASP A 61745.687 45.3566.411 1.00 36.00 NATOM9613 CA ASP A 61746.252 45.0475.096 1.00 36.16 CATOM9615 CB ASP A 61745.614 43.7454.578 1.00 36.47 CATOM9618 CG ASP A 61746.105 43.3323.203 1.00 38.33 CATOM9619 OD1 ASP A 61747.312 43.4692.910 1.00 41.41 OATOM9620 OD2 ASP A 61745.343 42.8342.349 1.00 42.76 OATOM9621 CASP A 61746.018 46.2174.133 1.00 35.45 CATOM9622 OASP A 61746.923 46.6273.419 1.00 35.32 OATOM9623 NPHE A 61844.814 46.7834.149 1.00 35.14 NATOM9625 CA PHE A 61844.490 47.9383.306 1.00 34.31 CATOM9627 CB PHE A 61843.052 48.3843.528 1.00 34.24 CATOM9630 CG PHE A 61842.647 49.5842.708 1.00 34.00 CATOM9631 CD1 PHE A 61842.906 50.8683.154 1.00 33.92 CATOM9633 CE1 PHE A 61842.524 51.9862.394 1.00 34.48 CATOM9635 CZ PHE A 61841.875 51.8121.192 1.00 33.99 CATOM9637 CE2 PHE A 61841.605 50.5310.736 1.00 33.97 CATOM9639 CD2 PHE A 61841.988 49.4221.494 1.00 33.91 CATOM9641 CPHE A 61845.446 49.0923.591 1.00 33.99 CATOM9642 OPHE A 61845.975 49.7082.659 1.00 32.92 OATOM9643 NLEU A 61945.682 49.3684.872 1.00 33.57 NATOM9645 CA LEU A 61946.568 50.4695.255 1.00 33.60 CATOM9647 CB LEU A 61946.477 50.7766.761 1.00 33.55 CATOM9650 CG LEU A 61945.145 51.3367.256 1.00 34.27 CATOM9652 CD1 LEU A 61945.091 51.3708.784 1.00 34.93 CATOM9656 CD2 LEU A 61944.914 52.7306.687 1.00 35.46 CATOM9660 CLEU A 61948.010 50.1514.863 1.00 33.66 CATOM9661 OLEU A 61948.658 50.9604.217 1.00 33.03 OATOM9662 NLEU A 62048.503 48.9665.225 1.00 34.13 NATOM9664 CA LEU A 62049.932 48.6675.068 1.00 34.76 CATOM9666 CB LEU A 62050.324 47.3975.830 1.00 34.99 CATOM9669 CG LEU A 62050.407 47.6057.348 1.00 35.85 CATOM9671 CD1 LEU A 62050.291 46.2828.075 1.00 36.58 CATOM9675 CD2 LEU A 62051.707 48.3347.728 1.00 37.53 CATOM9679 CLEU A 62050.369 48.5693.600 1.00 34.85 CATOM9680 OLEU A 62051.484 48.9443.269 1.00 34.36 OATOM9681 NSER A 62149.481 48.0922.730 1.00 34.98 NATOM9683 CA SER A 62149.723 48.1061.275 1.00 35.24 CATOM9685 CB SER A 62148.559 47.4520.535 1.00 35.10 CATOM9688 OG SER A 62148.365 46.1390.995 1.00 36.46 OATOM9690 CSER A 62149.921 49.5030.673 1.00 34.91 CATOM9691 OSER A 62150.483 49.633-0.403 1.00 34.63 OATOM9692 NARG A 62249.428 50.5351.352 1.00 35.15 NATOM9694 CA ARG A 62249.495 51.9110.846 1.00 34.87 CATOM9696 CB ARG A 62248.099 52.5040.862 1.00 35.16 CATOM9699 CG ARG A 62247.178 51.825-0.104 1.00 34.85 CATOM9702 CD ARG A 62245.729 52.1500.100 1.00 36.87 CATOM9705 NE ARG A 62244.924 51.513-0.931 1.00 37.11 NATOM9707 CZ ARG A 62244.603 50.228-0.957 1.00 36.35 CATOM9708 NH1 ARG A 62244.962 49.4070.019 1.00 36.39 NATOM9711 NH2 ARG A 62243.878 49.765-1.964 1.00 36.99 NATOM9714 CARG A 62250.467 52.8041.617 1.00 34.83 CATOM9715 OARG A 62250.520 54.0211.405 1.00 34.47 OATOM9716 NGLN A 62351.236 52.2072.522 1.00 34.97 NATOM9718 CA GLN A 62352.360 52.9103.114 1.00 35.49 CATOM9720 CB GLN A 62353.035 52.0804.211 1.00 35.33 CATOM9723 CG GLN A 62353.967 52.9115.070 1.00 35.73 CATOM9726 CD GLN A 62354.517 52.1716.277 1.00 35.80 CATOM9727 OE1 GLN A 62354.495 50.9496.331 1.00 35.71 OATOM9728 NE2 GLN A 62355.045 52.9207.237 1.00 35.36 NATOM9731 CGLN A 62353.351 53.2721.996 1.00 35.88 CATOM9732 OGLN A 62353.672 52.4541.143 1.00 35.45 OATOM9733 NMET A 62453.809 54.5132.012 1.00 36.93 NATOM9735 CA MET A 62454.652 55.0590.963 1.00 37.60 CATOM9737 CB MET A 62454.392 56.5600.823 1.00 37.70 CATOM9740 CG MET A 62452.907 56.9140.530 1.00 38.24 CATOM9743 SD MET A 62452.551 58.7140.583 1.00 40.06 SATOM9744 CE MET A 62453.567 59.246-0.847 1.00 40.11 CATOM9748 CMET A 62456.125 54.7721.291 1.00 38.34 CATOM9749 OMET A 62456.443 54.2742.370 1.00 38.19 O
ATOM9750 NALA A 62557.003 55.0850.343 1.00 38.74NATOM9752 CA ALA A 62558.437 54.8460.462 1.00 39.21CATOM9754 CB ALA A 62559.132 55.170-0.886 1.00 39.39CATOM9758 CALA A 62559.116 55.6191.601 1.00 39.30CATOM9759 OALA A 62560.137 55.1712.121 1.00 39.87OATOM9760 NASP A 62658.561 56.7711.985 1.00 39.34NATOM9762 CA ASP A 62659.117 57.5733.087 1.00 38.72CATOM9764 CB ASP A 62658.933 59.0812.803 1.00 38.72CATOM9767 CG ASP A 62657.493 59.5773.013 1.00 38.80CATOM9768 OD1 ASP A 62656.546 58.7663.194 1.00 37.84OATOM9769 OD2 ASP A 62657.220 60.7952.995 1.00 37.69OATOM9770 CASP A 62658.573 57.2054.491 1.00 38.23CATOM9771 OASP A 62658.950 57.8325.476 1.00 38.81OATOM9772 NGLY A 62757.721 56.1904.576 1.00 37.30NATOM9774 CA GLY A 62757.156 55.7365.841 1.00 37.32CATOM9777 CGLY A 62755.730 56.2196.119 1.00 36.92CATOM9778 OGLY A 62755.039 55.6877.000 1.00 37.43OATOM9779 NGLY A 62855.284 57.2145.357 1.00 35.81NATOM9781 CA GLY A 62854.012 57.8625.590 1.00 35.19CATOM9784 CGLY A 62852.891 57.3444.714 1.00 34.55CATOM9785 OGLY A 62853.046 56.3683.981 1.00 33.78OATOM9786 NTRP A 62951.742 58.0044.838 1.00 33.92NATOM9788 CA TRP A 62950.578 57.7903.978 1.00 33.25CATOM9790 CB TRP A 62949.429 57.2054.800 1.00 33.15CATOM9793 CG TRP A 62949.528 55.7375.066 1.00 33.11CATOM9794 CD1 TRP A 62948.872 54.7554.406 1.00 31.92CATOM9796 NE1 TRP A 62949.206 53.5324.927 1.00 33.49NATOM9798 CE2 TRP A 62950.092 53.7055.958 1.00 32.88CATOM9799 CD2 TRP A 62950.323 55.0846.077 1.00 32.73CATOM9800 CE3 TRP A 62951.202 55.5307.072 1.00 32.86CATOM9802 CZ3 TRP A 62951.824 54.5747.906 1.00 33.48CATOM9804 CH2 TRP A 62951.567 53.2167.751 1.00 32.75CATOM9806 CZ2 TRP A 62950.712 52.7596.786 1.00 33.30CATOM9808 CTRP A 62950.140 59.1463.429 1.00 32.98CATOM9809 OTRP A 62950.408 60.1714.042 1.00 32.50OATOM9810 NGLY A 63049.433 59.1422.295 1.00 32.63NATOM9812 CA GLY A 63048.877 60.3511.732 1.00 32.26CATOM9815 CGLY A 63047.745 60.1100.739 1.00 32.49CATOM9816 OGLY A 63047.841 59.263-0.122 1.00 31.39OATOM9817 NGLU A 63146.680 60.8940.871 1.00 33.19NATOM9819 CA GLU A 63145.535 60.864-0.033 1.00 33.91CATOM9821 CB GLU A 63144.290 60.3800.713 1.00 34.33CATOM9824 CG GLU A 63144.412 59.0071.356 1.00 34.14CATOM9827 CD GLU A 63143.147 58.6172.120 1.00 35.91CATOM9828 OE1 GLU A 63142.137 58.2321.460 1.00 32.40OATOM9829 OE2 GLU A 63143.145 58.7073.376 1.00 33.16OATOM9830 CGLU A 63145.278 62.272-0.551 1.00 33.92CATOM9831 OGLU A 63145.457 63.2550.181 1.00 34.48OATOM9832 NASP A 63244.880 62.379-1.815 1.00 34.34NATOM9834 CA ASP A 63244.404 63.648-2.379 1.00 34.08CATOM9836 CB ASP A 63244.564 63.672-3.900 1.00 34.72CATOM9839 CG ASP A 63245.984 63.994-4.350 1.00 36.39CATOM9840 OD1 ASP A 63246.779 64.559-3.556 1.00 37.37OATOM9841 OD2 ASP A 63246.370 63.730-5.510 1.00 38.59OATOM9842 CASP A 63242.940 63.815-2.067 1.00 33.90CATOM9843 OASP A 63242.232 62.826-1.839 1.00 33.24OATOM9844 NPHE A 63342.481 65.067-2.097 1.00 33.97NATOM9846 CA PHE A 63341.095 65.396-1.800 1.00 33.96CATOM9848 CB PHE A 63340.839 66.899-1.927 1.00 34.07CATOM9851 CG PHE A 63339.432 67.264-1.618 1.00 33.18CATOM9852 CD1 PHE A 63338.516 67.474-2.628 1.00 33.26CATOM9854 CE1 PHE A 63337.197 67.754-2.325 1.00 34.13CATOM9856 CZ PHE A 63336.784 67.791-1.010 1.00 33.30CATOM9858 CE2 PHE A 63337.693 67.555-0.004 1.00 33.24CATOM9860 CD2 PHE A 63338.999 67.287-0.308 1.00 32.92CATOM9862 CPHE A 63340.107 64.647-2.698 1.00 34.44CATOM9863 OPHE A 63339.002 64.338-2.281 1.00 33.94OATOM9864 NGLU A 63440.516 64.331-3.923 1.00 35.08NATOM9866 CA GLU A 63439.636 63.651-4.874 1.00 35.59CATOM9868 CB GLU A 63440.263 63.627-6.272 1.00 36.14CATOM9871 CG GLU A 63440.436 65.004-6.884 1.00 38.30CATOM9874 CD GLU A 63441.848 65.532-6.716 1.00 42.06CATOM9875 OE1 GLU A 63442.259 65.830-5.553 1.00 44.07OATOM9876 OE2 GLU A 63442.548 65.645-7.742 1.00 44.01OATOM9877 CGLU A 63439.258 62.227-4.439 1.00 35.26CATOM9878 OGLU A 63438.366 61.627-5.029 1.00 35.09OATOM9879 NSER A 63539.925 61.692-3.418 1.00 34.74N
ATOM9881 CA SER A 63539.496 60.448 -2.795 1.00 35.02 CATOM9883 CB SER A 63540.381 60.074 -1.590 1.00 35.27 CATOM9886 OG SER A 63541.767 60.044 -1.909 1.00 36.02 OATOM9888 CSER A 63538.051 60.538 -2.323 1.00 34.85 CATOM9889 OSER A 63537.297 59.586 -2.460 1.00 35.09 OATOM9890 NCYS A 63637.682 61.676 -1.750 1.00 34.88 NATOM9892 CA CYS A 63636.332 61.895 -1.236 1.00 35.16 CATOM9894 CB CYS A 63636.266 63.180 -0.413 1.00 35.25 CATOM9897 SG CYS A 63637.471 63.328 0.929 1.00 35.39 SATOM9898 CCYS A 63635.330 61.999 -2.385 1.00 35.55 CATOM9899 OCYS A 63634.270 61.382 -2.341 1.00 34.97 OATOM9900 NGLU A 63735.683 62.790 -3.407 1.00 35.95 NATOM9902 CA GLU A 63734.834 63.002 -4.586 1.00 36.28 CATOM9904 CB GLU A 63735.506 63.953 -5.588 1.00 36.78 CATOM9907 CG GLU A 63735.698 65.372 -5.094 1.00 38.81 CATOM9910 CD GLU A 63736.487 66.245 -6.070 1.00 42.06 CATOM9911 OE1 GLU A 63737.252 65.714 -6.908 1.00 43.93 OATOM9912 OE2 GLU A 63736.338 67.476 -5.986 1.00 43.92 OATOM9913 CGLU A 63734.559 61.708 -5.320 1.00 35.63 CATOM9914 OGLU A 63733.418 61.421 -5.677 1.00 35.49 OATOM9915 NGLU A 63835.621 60.943 -5.554 1.00 35.24 NATOM9917 CA GLU A 63835.539 59.734 -6.365 1.00 35.30 CATOM9919 CB GLU A 63836.855 59.520 -7.134 1.00 35.78 CATOM9922 CG GLU A 63837.260 60.647 -8.089 1.00 37.11 CATOM9925 CD GLU A 63836.200 60.981 -9.138 1.00 39.99 CATOM9926 OE1 GLU A 63835.567 60.052 -9.683 1.00 41.94 OATOM9927 OE2 GLU A 63835.991 62.189 -9.417 1.00 42.72 OATOM9928 CGLU A 63835.185 58.479 -5.542 1.00 35.01 CATOM9929 OGLU A 63834.816 57.451 -6.107 1.00 34.68 OATOM9930 NARG A 63935.268 58.582 -4.217 1.00 34.70 NATOM9932 CA ARG A 63934.962 57.475 -3.310 1.00 34.84 CATOM9934 CB ARG A 63933.515 57.018 -3.486 1.00 35.12 CATOM9937 CG ARG A 63932.516 58.171 -3.612 1.00 37.35 CATOM9940 CD ARG A 63931.070 57.756 -3.475 1.00 39.21 CATOM9943 NE ARG A 63930.757 57.366 -2.105 1.00 42.17 NATOM9945 CZ ARG A 63929.544 57.037 -1.672 1.00 45.25 CATOM9946 NH1 ARG A 63928.505 57.015 -2.501 1.00 45.65 NATOM9949 NH2 ARG A 63929.370 56.702 -0.397 1.00 46.44 NATOM9952 CARG A 63935.933 56.286 -3.438 1.00 34.48 CATOM9953 OARG A 63935.532 55.123 -3.377 1.00 33.73 OATOM9954 NARG A 64037.210 56.599 -3.626 1.00 34.45 NATOM9956 CA ARG A 64038.271 55.600 -3.623 1.00 35.16 CATOM9958 CB ARG A 64038.401 54.917 -4.989 1.00 35.29 CATOM9961 CG ARG A 64038.689 55.858 -6.155 1.00 36.62 CATOM9964 CD ARG A 64039.319 55.175 -7.369 1.00 38.26 CATOM9967 NE ARG A 64039.820 56.134 -8.360 1.00 40.31 NATOM9969 CZ ARG A 64039.069 56.793 -9.233 1.00 41.04 CATOM9970 NH1 ARG A 64037.764 56.604 -9.282 1.00 42.52 NATOM9973 NH2 ARG A 64039.631 57.647 -10.076 1.00 42.78 NATOM9976 CARG A 64039.587 56.249 -3.238 1.00 34.92 CATOM9977 OARG A 64039.727 57.469 -3.292 1.00 34.49 OATOM9978 NTYR A 64140.555 55.430 -2.858 1.00 35.27 NATOM9980 CA TYR A 64141.848 55.939 -2.428 1.00 35.52 CATOM9982 CB TYR A 64142.671 54.810 -1.809 1.00 35.66 CATOM9985 CG TYR A 64143.791 55.229 -0.864 1.00 34.82 CATOM9986 CD1 TYR A 64144.998 55.731 -1.348 1.00 34.27 CATOM9988 CE1 TYR A 64146.044 56.091 -0.474 1.00 34.30 CATOM9990 CZ TYR A 64145.871 55.930 0.899 1.00 34.04 CATOM9991 OH TYR A 64146.872 56.267 1.778 1.00 34.91 OATOM9993 CE2 TYR A 64144.691 55.421 1.391 1.00 34.59 CATOM9995 CD2 TYR A 64143.656 55.072 0.510 1.00 36.04 CATOM9997 CTYR A 64142.551 56.529 -3.655 1.00 36.24 CATOM9998 OTYR A 64142.771 55.825 -4.651 1.00 36.81 OATOM9999 NLEU A 64242.843 57.830 -3.596 1.00 36.67 NATOM10001 CA LEU A 64243.655 58.501 -4.594 1.00 37.09 CATOM10003 CB LEU A 64242.950 59.718 -5.200 1.00 37.53 CATOM10006 CG LEU A 64241.536 59.523 -5.769 1.00 39.53 CATOM10008 CD1 LEU A 64241.206 60.615 -6.767 1.00 42.59 CATOM10012 CD2 LEU A 64241.358 58.195 -6.434 1.00 42.61 CATOM10016 CLEU A 64244.964 58.918 -3.947 1.00 36.97 CATOM10017 OLEU A 64245.037 59.901 -3.235 1.00 36.82 OATOM10018 NGLN A 64345.989 58.123 -4.205 1.00 37.34 NATOM10020 CA GLN A 64347.330 58.335 -3.691 1.00 37.70 CATOM10022 CB GLN A 64348.238 57.252 -4.303 1.00 37.82 CATOM10025 CG GLN A 64349.714 57.322 -3.931 1.00 38.95 CATOM10028 CD GLN A 64349.931 57.262 -2.439 1.00 38.48 CATOM10029 OE1 GLN A 64349.565 56.278 -1.787 1.00 38.63 O
ATOM 10030 NE2 GLN A 64350.534 58.307-1.890 1.00 37.95 NATOM 10033 CGLN A 64347.834 59.747-4.048 1.00 37.42 CATOM 10034 OGLN A 64347.801 60.130-5.211 1.00 36.65 OATOM 10035 NSER A 64448.262 60.512-3.044 1.00 37.35 NATOM 10037 CA SER A 64448.869 61.832-3.274 1.00 37.62 CATOM 10039 CB SER A 64448.745 62.714-2.028 1.00 37.50 CATOM 10042 OG SER A 64449.327 62.094-0.901 1.00 38.18 OATOM 10044 CSER A 64450.335 61.709-3.678 1.00 37.70 CATOM 10045 OSER A 64450.930 60.654-3.540 1.00 38.26 OATOM 10046 NALA A 64550.910 62.787-4.191 1.00 38.34 NATOM 10048 CA ALA A 64552.311 62.811-4.619 1.00 38.79 CATOM 10050 CB ALA A 64552.638 64.133-5.345 1.00 39.01 CATOM 10054 CALA A 64553.291 62.598-3.455 1.00 38.96 CATOM 10055 OALA A 64554.280 61.884-3.601 1.00 38.56 OATOM 10056 NGLN A 64653.003 63.241-2.324 1.00 39.14 NATOM 10058 CA GLN A 64653.813 63.112-1.111 1.00 38.99 CATOM 10060 CB GLN A 64654.561 64.414-0.838 1.00 39.66 CATOM 10063 CG GLN A 64655.434 64.902-2.003 1.00 42.84 CATOM 10066 CD GLN A 64656.153 66.207-1.690 1.00 47.10 CATOM 10067 OE1 GLN A 64655.603 67.290-1.893 1.00 50.08 OATOM 10068 NE2 GLN A 64657.384 66.109-1.188 1.00 49.08 NATOM 10071 CGLN A 64652.952 62.7640.102 1.00 38.14 CATOM 10072 OGLN A 64651.722 62.9390.099 1.00 37.71 OATOM 10073 NSER A 64753.616 62.2971.157 1.00 36.95 NATOM 10075 CA SER A 64752.942 61.8752.367 1.00 36.23 CATOM 10077 CB SER A 64753.894 61.1193.314 1.00 36.24 CATOM 10080 OG SER A 64754.953 61.9433.774 1.00 35.87 OATOM 10082 CSER A 64752.348 63.0943.041 1.00 35.59 CATOM 10083 OSER A 64752.856 64.1942.911 1.00 35.19 OATOM 10084 NGLN A 64851.232 62.8803.719 1.00 35.10 NATOM 10086 CA GLN A 64850.531 63.9354.430 1.00 34.90 CATOM 10088 CB GLN A 64849.087 64.0063.948 1.00 34.98 CATOM 10091 CG GLN A 64848.946 64.1882.447 1.00 35.13 CATOM 10094 CD GLN A 64849.430 65.5312.000 1.00 34.56 CATOM 10095 OE1 GLN A 64849.023 66.5392.555 1.00 33.18 OATOM 10096 NE2 GLN A 64850.308 65.5561.003 1.00 32.93 NATOM 10099 CGLN A 64850.555 63.5895.908 1.00 34.13 CATOM 10100 OGLN A 64850.285 62.4656.277 1.00 34.02 OATOM 10101 NILE A 64950.873 64.5576.750 1.00 33.82 NATOM 10103 CA ILE A 64950.995 64.3178.186 1.00 33.40 CATOM 10105 CB ILE A 64951.385 65.6308.898 1.00 33.16 CATOM 10107 CG1 ILE A 64952.882 65.8688.707 1.00 34.11 CATOM 10110 CD1 ILE A 64953.281 67.2888.850 1.00 35.91 CATOM 10114 CG2 ILE A 64951.017 65.59210.386 1.00 33.23 CATOM 10118 CILE A 64949.726 63.6948.776 1.00 33.00 CATOM 10119 OILE A 64949.801 62.7289.529 1.00 33.28 OATOM 10120 NHIS A 65048.569 64.2328.420 1.00 32.69 NATOM 10122 CA HIS A 65047.313 63.7338.971 1.00 32.31 CATOM 10124 CB HIS A 65046.152 64.6748.651 1.00 32.43 CATOM 10127 CG HIS A 65046.014 65.0237.202 1.00 32.10 CATOM 10128 ND1 HIS A 65046.545 66.1806.671 1.00 31.41 NATOM 10130 CE1 HIS A 65046.252 66.2435.384 1.00 31.26 CATOM 10132 NE2 HIS A 65045.536 65.1825.071 1.00 29.06 NATOM 10134 CD2 HIS A 65045.364 64.4076.194 1.00 31.23 CATOM 10136 CHIS A 65046.986 62.3088.548 1.00 32.42 CATOM 10137 OHIS A 65046.610 61.4969.388 1.00 31.84 OATOM 10138 NASN A 65147.160 61.9837.263 1.00 32.33 NATOM 10140 CA ASN A 65146.915 60.6256.804 1.00 32.36 CATOM 10142 CB ASN A 65147.023 60.5285.285 1.00 32.90 CATOM 10145 CG ASN A 65145.998 61.4094.560 1.00 32.65 CATOM 10146 OD1 ASN A 65144.804 61.3404.840 1.00 35.53 OATOM 10147 ND2 ASN A 65146.472 62.2083.648 1.00 30.15 NATOM 10150 CASN A 65147.882 59.6477.461 1.00 32.87 CATOM 10151 OASN A 65147.513 58.5257.811 1.00 32.84 OATOM 10152 NTHR A 65249.128 60.0827.615 1.00 32.92 NATOM 10154 CA THR A 65250.151 59.2878.258 1.00 32.95 CATOM 10156 CB THR A 65251.502 60.0338.237 1.00 33.02 CATOM 10158 OG1 THR A 65251.872 60.3366.880 1.00 33.19 OATOM 10160 CG2 THR A 65252.636 59.1308.754 1.00 33.01 CATOM 10164 CTHR A 65249.743 58.9469.698 1.00 32.78 CATOM 10165 OTHR A 65249.757 57.78810.075 1.00 32.82 OATOM 10166 NCYS A 65349.352 59.95210.474 1.00 32.72 NATOM 10168 CA CYS A 65348.998 59.76211.884 1.00 32.70 CATOM 10170 CB CYS A 65348.723 61.10012.584 1.00 32.55 CATOM 10173 SG CYS A 65350.156 62.18412.719 1.00 33.93 SATOM 10174 CCYS A 65347.790 58.85312.018 1.00 32.54 CATOM 10175 OCYS A 65347.750 57.99212.887 1.00 32.37 O
ATOM 10176 N TRP A 65446.812 59.028 11.137 1.00 32.32NATOM 10178 CA TRP A 65445.591 58.241 11.211 1.00 31.85CATOM 10180 CB TRP A 65444.524 58.816 10.266 1.00 31.66CATOM 10183 CG TRP A 65444.068 60.202 10.649 1.00 30.58CATOM 10184 CD1 TRP A 65444.096 60.756 11.899 1.00 31.59CATOM 10186 NE1 TRP A 65443.608 62.037 11.866 1.00 30.28NATOM 10188 CE2 TRP A 65443.242 62.340 10.581 1.00 30.65CATOM 10189 CD2 TRP A 65443.517 61.208 9.788 1.00 30.69CATOM 10190 CE3 TRP A 65443.215 61.265 8.421 1.00 29.64CATOM 10192 CZ3 TRP A 65442.658 62.428 7.904 1.00 28.93CATOM 10194 CH2 TRP A 65442.402 63.533 8.718 1.00 30.51CATOM 10196 CZ2 TRP A 65442.674 63.508 10.057 1.00 29.47CATOM 10198 C TRP A 65445.868 56.750 10.942 1.00 31.94CATOM 10199 O TRP A 65445.371 55.891 11.665 1.00 31.82OATOM 10200 N ALA A 65546.657 56.430 9.923 1.00 31.98NATOM 10202 CA ALA A 65546.996 55.028 9.660 1.00 31.86CATOM 10204 CB ALA A 65547.792 54.896 8.399 1.00 31.72CATOM 10208 C ALA A 65547.775 54.427 10.837 1.00 32.29CATOM 10209 O ALA A 65547.460 53.341 11.280 1.00 32.88OATOM 10210 N MET A 65648.777 55.144 11.331 1.00 32.61NATOM 10212 CA MET A 65649.599 54.671 12.448 1.00 33.43CATOM 10214 CB MET A 65650.687 55.689 12.780 1.00 33.46CATOM 10217 CG MET A 65651.765 55.836 11.727 1.00 34.66CATOM 10220 SD MET A 65652.960 57.125 12.156 1.00 37.21SATOM 10221 CE MET A 65651.984 58.392 12.323 1.00 40.55CATOM 10225 C MET A 65648.775 54.433 13.705 1.00 33.44CATOM 10226 O MET A 65648.946 53.421 14.368 1.00 33.38OATOM 10227 N MET A 65747.896 55.371 14.029 1.00 33.73NATOM 10229 CA MET A 65747.044 55.263 15.215 1.00 34.28CATOM 10231 CB MET A 65746.309 56.580 15.442 1.00 34.41CATOM 10234 CG MET A 65747.223 57.708 15.917 1.00 36.46CATOM 10237 SD MET A 65746.341 59.234 16.286 1.00 39.74SATOM 10238 CE MET A 65745.383 59.393 14.852 1.00 44.91CATOM 10242 C MET A 65746.051 54.098 15.124 1.00 34.23CATOM 10243 O MET A 65745.758 53.450 16.120 1.00 34.45OATOM 10244 N GLY A 65845.555 53.812 13.927 1.00 34.24NATOM 10246 CA GLY A 65844.690 52.665 13.716 1.00 34.31CATOM 10249 C GLY A 65845.438 51.352 13.850 1.00 34.39CATOM 10250 O GLY A 65844.952 50.423 14.485 1.00 34.11OATOM 10251 N LEU A 65946.621 51.265 13.252 1.00 34.42NATOM 10253 CA LEU A 65947.460 50.077 13.420 1.00 34.78CATOM 10255 CB LEU A 65948.739 50.184 12.595 1.00 34.74CATOM 10258 CG LEU A 65948.552 50.159 11.075 1.00 35.22CATOM 10260 CD1 LEU A 65949.818 50.652 10.366 1.00 35.73CATOM 10264 CD2 LEU A 65948.183 48.768 10.621 1.00 35.41CATOM 10268 C LEU A 65947.824 49.851 14.899 1.00 34.75CATOM 10269 O LEU A 65947.760 48.738 15.390 1.00 34.62OATOM 10270 N MET A 66048.191 50.910 15.602 1.00 35.01NATOM 10272 CA MET A 66048.619 50.790 16.997 1.00 35.17CATOM 10274 CB MET A 66049.268 52.091 17.485 1.00 35.16CATOM 10277 CG MET A 66050.717 52.219 17.025 1.00 35.95CATOM 10280 SD MET A 66051.582 53.658 17.664 1.00 38.53SATOM 10281 CE MET A 66050.882 54.945 16.654 1.00 37.66CATOM 10285 C MET A 66047.451 50.402 17.895 1.00 35.22CATOM 10286 O MET A 66047.626 49.614 18.824 1.00 35.22OATOM 10287 N ALA A 66146.264 50.926 17.586 1.00 35.16NATOM 10289 CA ALA A 66145.046 50.656 18.354 1.00 35.48CATOM 10291 CB ALA A 66143.854 51.438 17.770 1.00 35.42CATOM 10295 C ALA A 66144.716 49.165 18.430 1.00 35.58CATOM 10296 O ALA A 66144.314 48.681 19.480 1.00 35.37OATOM 10297 N VAL A 66244.898 48.439 17.326 1.00 35.67NATOM 10299 CA VAL A 66244.674 46.990 17.319 1.00 35.92CATOM 10301 CB VAL A 66243.974 46.507 16.019 1.00 35.65CATOM 10303 CG1 VAL A 66242.536 47.068 15.935 1.00 35.66CATOM 10307 CG2 VAL A 66244.763 46.887 14.783 1.00 35.58CATOM 10311 C VAL A 66245.959 46.175 17.572 1.00 36.49CATOM 10312 O VAL A 66245.948 44.958 17.437 1.00 36.99OATOM 10313 N ARG A 66347.049 46.844 17.934 1.00 36.49NATOM 10315 CA ARG A 66348.324 46.188 18.241 1.00 37.30CATOM 10317 CB ARG A 66348.241 45.361 19.545 1.00 37.63CATOM 10320 CG ARG A 66347.518 46.043 20.711 1.00 38.35CATOM 10323 CD ARG A 66348.315 47.137 21.366 1.00 40.03CATOM 10326 NE ARG A 66347.652 47.652 22.582 1.00 41.77NATOM 10328 CZ ARG A 66347.043 48.846 22.714 1.00 39.87CATOM 10329 NH1 ARG A 66346.964 49.716 21.711 1.00 39.13NATOM 10332 NH2 ARG A 66346.497 49.165 23.879 1.00 38.44NATOM 10335 C ARG A 66348.826 45.304 17.096 1.00 37.42C
ATOM 10336 OARG A 66349.313 44.20217.327 1.00 37.30OATOM 10337 NHIS A 66448.721 45.79615.863 1.00 37.42NATOM 10339 CA HIS A 66449.261 45.07914.712 1.00 37.64CATOM 10341 CB HIS A 66449.090 45.89313.426 1.00 37.71CATOM 10344 CG HIS A 66449.509 45.15712.192 1.00 37.92CATOM 10345 ND1 HIS A 66448.649 44.35511.475 1.00 37.44NATOM 10347 CE1 HIS A 66449.300 43.81910.458 1.00 38.29CATOM 10349 NE2 HIS A 66450.552 44.24310.490 1.00 38.75NATOM 10351 CD2 HIS A 66450.705 45.08611.561 1.00 38.34CATOM 10353 CHIS A 66450.742 44.79214.978 1.00 37.68CATOM 10354 OHIS A 66451.468 45.69015.394 1.00 37.33OATOM 10355 NPRO A 66551.186 43.54914.763 1.00 38.17NATOM 10356 CA PRO A 66552.536 43.12915.182 1.00 38.07CATOM 10358 CB PRO A 66552.452 41.59015.156 1.00 38.20CATOM 10361 CG PRO A 66551.390 41.26814.159 1.00 38.38CATOM 10364 CD PRO A 66550.431 42.44614.139 1.00 37.96CATOM 10367 CPRO A 66553.713 43.62614.320 1.00 38.35CATOM 10368 OPRO A 66554.869 43.34714.674 1.00 38.03OATOM 10369 NASP A 66653.436 44.34413.229 1.00 38.21NATOM 10371 CA ASP A 66654.483 44.91212.380 1.00 38.33CATOM 10373 CB ASP A 66654.014 45.00210.924 1.00 38.56CATOM 10376 CG ASP A 66655.140 45.2719.957 1.00 39.73CATOM 10377 OD1 ASP A 66656.258 45.62410.397 1.00 41.01OATOM 10378 OD2 ASP A 66654.997 45.1538.727 1.00 42.68OATOM 10379 CASP A 66654.900 46.28512.919 1.00 38.33CATOM 10380 OASP A 66654.560 47.34012.356 1.00 37.85OATOM 10381 NILE A 66755.667 46.24414.011 1.00 38.07NATOM 10383 CA ILE A 66756.074 47.43414.743 1.00 37.69CATOM 10385 CB ILE A 66756.788 47.02716.067 1.00 37.63CATOM 10387 CG1 ILE A 66755.829 46.26216.987 1.00 37.65CATOM 10390 CD1 ILE A 66756.529 45.34418.006 1.00 38.16CATOM 10394 CG2 ILE A 66757.357 48.24516.781 1.00 37.36CATOM 10398 CILE A 66756.992 48.27713.869 1.00 37.97CATOM 10399 OILE A 66756.971 49.50313.930 1.00 37.63OATOM 10400 NGLU A 66857.782 47.59713.048 1.00 38.13NATOM 10402 CA GLU A 66858.756 48.23712.174 1.00 38.94CATOM 10404 CB GLU A 66859.592 47.16811.434 1.00 39.59CATOM 10407 CG GLU A 66860.315 46.15812.340 1.00 43.52CATOM 10410 CD GLU A 66859.405 45.01612.859 1.00 48.94CATOM 10411 OE1 GLU A 66858.455 44.57112.147 1.00 51.59OATOM 10412 OE2 GLU A 66859.629 44.55614.005 1.00 54.08OATOM 10413 CGLU A 66858.075 49.17711.159 1.00 37.95CATOM 10414 OGLU A 66858.604 50.23410.854 1.00 37.26OATOM 10415 NALA A 66956.915 48.77710.636 1.00 37.25NATOM 10417 CA ALA A 66956.141 49.6389.740 1.00 37.19CATOM 10419 CB ALA A 66955.001 48.8709.109 1.00 37.10CATOM 10423 CALA A 66955.625 50.86910.503 1.00 36.97CATOM 10424 OALA A 66955.648 51.9879.990 1.00 36.75OATOM 10425 NGLN A 67055.168 50.65711.733 1.00 36.44NATOM 10427 CA GLN A 67054.810 51.76512.605 1.00 36.47CATOM 10429 CB GLN A 67054.286 51.25013.949 1.00 36.72CATOM 10432 CG GLN A 67052.929 50.55813.826 1.00 37.33CATOM 10435 CD GLN A 67052.613 49.71315.023 1.00 38.59CATOM 10436 OE1 GLN A 67052.955 50.08416.146 1.00 38.02OATOM 10437 NE2 GLN A 67051.964 48.57114.799 1.00 38.25NATOM 10440 CGLN A 67055.991 52.70212.815 1.00 36.25CATOM 10441 OGLN A 67055.828 53.91412.770 1.00 35.90OATOM 10442 NGLU A 67157.179 52.12713.008 1.00 36.19NATOM 10444 CA GLU A 67158.405 52.89313.242 1.00 36.18CATOM 10446 CB GLU A 67159.579 51.95913.594 1.00 36.12CATOM 10449 CG GLU A 67159.531 51.47815.031 1.00 37.31CATOM 10452 CD GLU A 67160.771 50.72715.452 1.00 38.97CATOM 10453 OE1 GLU A 67161.280 49.90914.664 1.00 39.86OATOM 10454 OE2 GLU A 67161.232 50.95916.584 1.00 41.54OATOM 10455 CGLU A 67158.801 53.75212.053 1.00 35.69CATOM 10456 OGLU A 67159.335 54.84812.237 1.00 35.66OATOM 10457 NARG A 67258.569 53.24710.841 1.00 35.36NATOM 10459 CA ARG A 67258.824 54.0259.632 1.00 35.31CATOM 10461 CB ARG A 67258.661 53.1608.367 1.00 35.43CATOM 10464 CG ARG A 67259.762 52.0968.174 1.00 36.45CATOM 10467 CD ARG A 67259.766 51.4216.796 1.00 38.11CATOM 10470 NE ARG A 67258.488 50.7756.468 1.00 39.40NATOM 10472 CZ ARG A 67258.181 49.4926.696 1.00 41.61CATOM 10473 NH1 ARG A 67259.041 48.6697.282 1.00 43.09NATOM 10476 NH2 ARG A 67256.981 49.0266.349 1.00 42.30NATOM 10479 CARG A 67257.892 55.2529.607 1.00 34.73CATOM 10480 OARG A 67258.285 56.3249.173 1.00 34.43O
ATOM 10481 NGLY A 67356.664 55.090 10.092 1.00 34.48 NATOM 10483 CA GLY A 67355.745 56.212 10.241 1.00 34.27 CATOM 10486 CGLY A 67356.271 57.251 11.218 1.00 34.35 CATOM 10487 OGLY A 67356.264 58.441 10.934 1.00 34.12 OATOM 10488 NVAL A 67456.752 56.787 12.367 1.00 34.75 NATOM 10490 CA VAL A 67457.342 57.648 13.384 1.00 35.17 CATOM 10492 CB VAL A 67457.856 56.813 14.595 1.00 35.13 CATOM 10494 CG1 VAL A 67458.755 57.647 15.519 1.00 35.75 CATOM 10498 CG2 VAL A 67456.671 56.204 15.370 1.00 35.13 CATOM 10502 CVAL A 67458.481 58.492 12.794 1.00 35.53 CATOM 10503 OVAL A 67458.508 59.698 12.981 1.00 35.08 OATOM 10504 NARG A 67559.396 57.859 12.063 1.00 36.34 NATOM 10506 CA ARG A 67560.537 58.574 11.469 1.00 37.49 CATOM 10508 CB ARG A 67561.555 57.606 10.843 1.00 37.63 CATOM 10511 CG ARG A 67562.450 56.912 11.872 1.00 41.22 CATOM 10514 CD ARG A 67563.588 56.094 11.266 1.00 44.75 CATOM 10517 NE ARG A 67563.364 54.665 11.453 1.00 47.77 NATOM 10519 CZ ARG A 67563.803 53.951 12.479 1.00 50.01 CATOM 10520 NH1 ARG A 67564.521 54.513 13.449 1.00 51.65 NATOM 10523 NH2 ARG A 67563.521 52.659 12.537 1.00 50.35 NATOM 10526 CARG A 67560.107 59.605 10.429 1.00 37.41 CATOM 10527 OARG A 67560.699 60.671 10.355 1.00 37.02 OATOM 10528 NCYS A 67659.083 59.289 9.635 1.00 37.53 NATOM 10530 CA CYS A 67658.532 60.250 8.674 1.00 37.95 CATOM 10532 CB CYS A 67657.389 59.610 7.866 1.00 38.27 CATOM 10535 SG CYS A 67656.626 60.647 6.577 1.00 40.20 SATOM 10536 CCYS A 67658.047 61.520 9.393 1.00 37.78 CATOM 10537 OCYS A 67658.322 62.626 8.935 1.00 37.65 OATOM 10538 NLEU A 67757.362 61.358 10.532 1.00 37.63 NATOM 10540 CA LEU A 67756.842 62.495 11.291 1.00 37.45 CATOM 10542 CB LEU A 67755.874 62.039 12.384 1.00 37.60 CATOM 10545 CG LEU A 67754.566 61.396 11.932 1.00 37.19 CATOM 10547 CD1 LEU A 67753.814 60.900 13.175 1.00 36.44 CATOM 10551 CD2 LEU A 67753.717 62.384 11.111 1.00 36.40 CATOM 10555 CLEU A 67757.933 63.320 11.941 1.00 37.62 CATOM 10556 OLEU A 67757.857 64.549 11.938 1.00 37.15 OATOM 10557 NLEU A 67858.926 62.651 12.520 1.00 37.92 NATOM 10559 CA LEU A 67860.053 63.338 13.156 1.00 38.39 CATOM 10561 CB LEU A 67860.995 62.337 13.835 1.00 38.35 CATOM 10564 CG LEU A 67860.461 61.554 15.039 1.00 37.92 CATOM 10566 CD1 LEU A 67861.545 60.594 15.532 1.00 38.03 CATOM 10570 CD2 LEU A 67860.008 62.501 16.148 1.00 37.14 CATOM 10574 CLEU A 67860.860 64.168 12.160 1.00 38.98 CATOM 10575 OLEU A 67861.248 65.292 12.455 1.00 38.56 OATOM 10576 NGLU A 67961.104 63.612 10.978 1.00 39.98 NATOM 10578 CA GLU A 67961.891 64.306 9.964 1.00 41.46 CATOM 10580 CB GLU A 67962.252 63.358 8.813 1.00 42.56 CATOM 10583 CG GLU A 67963.407 63.860 7.934 1.00 47.21 CATOM 10586 CD GLU A 67963.660 62.963 6.731 1.00 53.40 CATOM 10587 OE1 GLU A 67963.044 61.870 6.667 1.00 58.02 OATOM 10588 OE2 GLU A 67964.481 63.351 5.843 1.00 56.78 OATOM 10589 CGLU A 67961.173 65.559 9.433 1.00 40.82 CATOM 10590 OGLU A 67961.823 66.471 8.950 1.00 40.74 OATOM 10591 NLYS A 68059.843 65.604 9.562 1.00 40.19 NATOM 10593 CA LYS A 68059.039 66.762 9.154 1.00 39.72 CATOM 10595 CB LYS A 68057.633 66.305 8.744 1.00 39.55 CATOM 10598 CG LYS A 68057.583 65.721 7.346 1.00 39.69 CATOM 10601 CD LYS A 68056.220 65.118 7.035 1.00 39.74 CATOM 10604 CE LYS A 68056.152 64.600 5.598 1.00 39.80 CATOM 10607 NZ LYS A 68054.735 64.425 5.134 1.00 38.87 NATOM 10611 CLYS A 68058.911 67.874 10.206 1.00 39.41 CATOM 10612 OLYS A 68058.552 68.999 9.864 1.00 38.72 OATOM 10613 NGLN A 68159.160 67.565 11.480 1.00 39.19 NATOM 10615 CA GLN A 68159.045 68.571 12.538 1.00 39.23 CATOM 10617 CB GLN A 68159.356 67.958 13.903 1.00 39.38 CATOM 10620 CG GLN A 68159.022 68.856 15.067 1.00 39.27 CATOM 10623 CD GLN A 68158.972 68.112 16.380 1.00 38.87 CATOM 10624 OE1 GLN A 68159.887 67.365 16.707 1.00 39.49 OATOM 10625 NE2 GLN A 68157.902 68.312 17.138 1.00 40.10 NATOM 10628 CGLN A 68159.989 69.748 12.283 1.00 39.26 CATOM 10629 OGLN A 68161.127 69.555 11.877 1.00 38.90 OATOM 10630 NLEU A 68259.495 70.960 12.503 1.00 39.73 NATOM 10632 CA LEU A 68260.289 72.174 12.356 1.00 40.18 CATOM 10634 CB LEU A 68259.368 73.362 12.089 1.00 40.47 CATOM 10637 CG LEU A 68258.515 73.300 10.815 1.00 41.31 CATOM 10639 CD1 LEU A 68257.590 74.510 10.745 1.00 41.97 CATOM 10643 CD2 LEU A 68259.389 73.235 9.557 1.00 42.47 C
ATOM 10647 CLEU A 68261.144 72.403 13.617 1.00 40.73 CATOM 10648 OLEU A 68260.885 71.793 14.656 1.00 39.80 OATOM 10649 NPRO A 68362.191 73.229 13.505 1.00 41.49 NATOM 10650 CA PRO A 68363.061 73.547 14.649 1.00 41.53 CATOM 10652 CB PRO A 68363.999 74.633 14.097 1.00 41.72 CATOM 10655 CG PRO A 68364.056 74.381 12.637 1.00 41.57 CATOM 10658 CD PRO A 68362.678 73.867 12.263 1.00 41.42 CATOM 10661 CPRO A 68362.331 74.060 15.886 1.00 41.95 CATOM 10662 OPRO A 68362.734 73.678 16.982 1.00 41.43 OATOM 10663 NASN A 68461.295 74.888 15.747 1.00 42.15 NATOM 10665 CA ASN A 68460.575 75.311 16.947 1.00 42.21 CATOM 10667 CB ASN A 68459.572 76.482 16.752 1.00 41.94 CATOM 10670 CG ASN A 68458.676 76.348 15.527 1.00 41.04 CATOM 10671 OD1 ASN A 68458.455 75.263 15.016 1.00 39.74 OATOM 10672 ND2 ASN A 68458.145 77.489 15.066 1.00 39.90 NATOM 10675 CASN A 68460.018 74.035 17.577 1.00 42.48 CATOM 10676 OASN A 68460.775 73.326 18.265 1.00 45.91 OATOM 10677 NGLY A 68558.772 73.690 17.352 1.00 41.11 NATOM 10679 CA GLY A 68558.339 72.292 17.445 1.00 39.85 CATOM 10682 CGLY A 68557.036 72.031 16.679 1.00 38.76 CATOM 10683 OGLY A 68556.320 71.057 16.917 1.00 38.42 OATOM 10684 NASP A 68656.771 72.921 15.729 1.00 37.49 NATOM 10686 CA ASP A 68655.594 72.933 14.875 1.00 36.82 CATOM 10688 CB ASP A 68655.517 74.341 14.248 1.00 36.59 CATOM 10691 CG ASP A 68654.158 74.701 13.667 1.00 36.13 CATOM 10692 OD1 ASP A 68653.185 73.904 13.704 1.00 34.89 OATOM 10693 OD2 ASP A 68653.990 75.830 13.157 1.00 33.30 OATOM 10694 CASP A 68655.772 71.870 13.796 1.00 36.17 CATOM 10695 OASP A 68656.834 71.265 13.687 1.00 35.68 OATOM 10696 NTRP A 68754.720 71.609 13.027 1.00 35.85 NATOM 10698 CA TRP A 68754.841 70.850 11.792 1.00 35.27 CATOM 10700 CB TRP A 68754.079 69.537 11.916 1.00 34.95 CATOM 10703 CG TRP A 68754.823 68.427 12.632 1.00 34.16 CATOM 10704 CD1 TRP A 68755.672 67.519 12.072 1.00 32.67 CATOM 10706 NE1 TRP A 68756.135 66.646 13.025 1.00 33.14 NATOM 10708 CE2 TRP A 68755.604 66.987 14.239 1.00 33.68 CATOM 10709 CD2 TRP A 68754.757 68.096 14.029 1.00 33.37 CATOM 10710 CE3 TRP A 68754.084 68.633 15.127 1.00 33.19 CATOM 10712 CZ3 TRP A 68754.264 68.044 16.381 1.00 33.14 CATOM 10714 CH2 TRP A 68755.111 66.948 16.550 1.00 31.78 CATOM 10716 CZ2 TRP A 68755.788 66.406 15.496 1.00 32.95 CATOM 10718 CTRP A 68754.299 71.709 10.629 1.00 35.38 CATOM 10719 OTRP A 68753.457 72.579 10.844 1.00 35.17 OATOM 10720 NPRO A 68854.779 71.485 9.409 1.00 35.51 NATOM 10721 CA PRO A 68854.341 72.299 8.270 1.00 36.02 CATOM 10723 CB PRO A 68855.391 71.986 7.187 1.00 35.72 CATOM 10726 CG PRO A 68855.845 70.611 7.490 1.00 35.83 CATOM 10729 CD PRO A 68855.747 70.453 9.000 1.00 35.55 CATOM 10732 CPRO A 68852.937 71.926 7.775 1.00 36.44 CATOM 10733 OPRO A 68852.487 70.781 7.931 1.00 36.59 OATOM 10734 NGLN A 68952.256 72.901 7.194 1.00 37.28 NATOM 10736 CA GLN A 68950.972 72.677 6.526 1.00 38.21 CATOM 10738 CB GLN A 68950.222 74.003 6.356 1.00 38.95 CATOM 10741 CG GLN A 68948.860 73.927 5.626 1.00 42.29 CATOM 10744 CD GLN A 68947.832 73.005 6.290 1.00 46.36 CATOM 10745 OE1 GLN A 68947.662 72.977 7.520 1.00 49.26 OATOM 10746 NE2 GLN A 68947.117 72.237 5.472 1.00 47.35 NATOM 10749 CGLN A 68951.207 72.011 5.168 1.00 37.87 CATOM 10750 OGLN A 68952.091 72.392 4.418 1.00 37.47 OATOM 10751 NGLU A 69050.424 70.980 4.885 1.00 37.72 NATOM 10753 CA GLU A 69050.485 70.272 3.621 1.00 37.80 CATOM 10755 CB GLU A 69050.967 68.831 3.850 1.00 37.83 CATOM 10758 CG GLU A 69052.396 68.746 4.402 1.00 38.67 CATOM 10761 CD GLU A 69052.669 67.446 5.138 1.00 40.57 CATOM 10762 OE1 GLU A 69051.747 66.973 5.845 1.00 42.33 OATOM 10763 OE2 GLU A 69053.789 66.895 5.007 1.00 38.90 OATOM 10764 CGLU A 69049.080 70.369 3.018 1.00 37.23 CATOM 10765 OGLU A 69048.495 71.432 3.054 1.00 37.03 OATOM 10766 NASN A 69148.527 69.296 2.471 1.00 36.54 NATOM 10768 CA ASN A 69147.237 69.408 1.804 1.00 36.28 CATOM 10770 CB ASN A 69147.148 68.391 0.649 1.00 36.37 CATOM 10773 CG ASN A 69148.221 68.656 -0.437 1.00 37.20 CATOM 10774 OD1 ASN A 69148.742 69.780 -0.543 1.00 36.76 OATOM 10775 ND2 ASN A 69148.548 67.630 -1.213 1.00 35.96 NATOM 10778 CASN A 69146.040 69.384 2.781 1.00 35.64 CATOM 10779 OASN A 69146.180 69.120 3.970 1.00 35.85 OATOM 10780 NILE A 69244.873 69.736 2.275 1.00 35.00 N
ATOM 10782 CA ILE A 69243.724 70.0033.126 1.00 34.51 CATOM 10784 CB ILE A 69242.670 70.7922.340 1.00 34.74 CATOM 10786 CG1 ILE A 69241.666 71.4453.286 1.00 34.92 CATOM 10789 CD1 ILE A 69241.033 72.6712.675 1.00 35.86 CATOM 10793 CG2 ILE A 69241.953 69.8931.306 1.00 35.65 CATOM 10797 CILE A 69243.166 68.7033.691 1.00 33.61 CATOM 10798 OILE A 69243.086 67.6942.986 1.00 33.46 OATOM 10799 NALA A 69342.783 68.7324.966 1.00 33.06 NATOM 10801 CA ALA A 69342.475 67.5095.708 1.00 32.76 CATOM 10803 CB ALA A 69343.225 67.4957.045 1.00 32.38 CATOM 10807 CALA A 69340.991 67.2885.945 1.00 32.87 CATOM 10808 OALA A 69340.587 66.1806.283 1.00 32.97 OATOM 10809 NGLY A 69440.181 68.3275.765 1.00 32.84 NATOM 10811 CA GLY A 69438.753 68.2156.013 1.00 32.64 CATOM 10814 CGLY A 69437.889 68.1104.768 1.00 32.41 CATOM 10815 OGLY A 69438.293 68.4913.665 1.00 31.78 OATOM 10816 NVAL A 69536.680 67.5914.976 1.00 32.12 NATOM 10818 CA VAL A 69535.659 67.4893.948 1.00 31.47 CATOM 10820 CB VAL A 69535.818 66.1743.130 1.00 31.77 CATOM 10822 CG1 VAL A 69535.722 64.9304.032 1.00 32.08 CATOM 10826 CG2 VAL A 69534.797 66.0982.011 1.00 31.61 CATOM 10830 CVAL A 69534.258 67.5364.576 1.00 31.71 CATOM 10831 OVAL A 69534.061 67.1685.752 1.00 30.88 OATOM 10832 NPHE A 69633.288 68.0113.800 1.00 31.68 NATOM 10834 CA PHE A 69631.890 67.7244.087 1.00 32.15 CATOM 10836 CB PHE A 69631.245 68.8124.958 1.00 32.09 CATOM 10839 CG PHE A 69631.351 70.2114.397 1.00 32.93 CATOM 10840 CD1 PHE A 69630.366 70.7173.559 1.00 33.89 CATOM 10842 CE1 PHE A 69630.446 72.0143.053 1.00 34.59 CATOM 10844 CZ PHE A 69631.513 72.8273.405 1.00 35.26 CATOM 10846 CE2 PHE A 69632.498 72.3384.245 1.00 34.38 CATOM 10848 CD2 PHE A 69632.412 71.0334.740 1.00 33.47 CATOM 10850 CPHE A 69631.107 67.5062.802 1.00 32.94 CATOM 10851 OPHE A 69631.371 68.1501.782 1.00 32.55 OATOM 10852 NASN A 69730.161 66.5712.876 1.00 33.22 NATOM 10854 CA ASN A 69729.251 66.2421.793 1.00 33.93 CATOM 10856 CB ASN A 69728.251 67.3731.629 1.00 33.65 CATOM 10859 CG ASN A 69727.479 67.6102.899 1.00 34.08 CATOM 10860 OD1 ASN A 69727.549 68.6823.518 1.00 35.20 OATOM 10861 ND2 ASN A 69726.752 66.5863.358 1.00 31.40 NATOM 10864 CASN A 69729.956 65.8650.488 1.00 34.93 CATOM 10865 OASN A 69729.522 66.228-0.609 1.00 33.99 OATOM 10866 NLYS A 69831.036 65.0940.620 1.00 36.05 NATOM 10868 CA LYS A 69831.911 64.832-0.513 1.00 37.34 CATOM 10870 CB LYS A 69831.254 63.888-1.540 1.00 37.67 CATOM 10873 CG LYS A 69830.234 62.853-1.007 1.00 39.24 CATOM 10876 CD LYS A 69830.896 61.588-0.461 1.00 40.63 CATOM 10879 CE LYS A 69829.912 60.408-0.392 1.00 41.48 CATOM 10882 NZ LYS A 69829.155 60.3230.902 1.00 40.46 NATOM 10886 CLYS A 69832.188 66.224-1.110 1.00 37.85 CATOM 10887 OLYS A 69831.823 67.227-0.522 1.00 40.83 OATOM 10888 NSER A 69932.808 66.334-2.254 1.00 37.49 NATOM 10890 CA SER A 69932.929 67.630-2.944 1.00 36.67 CATOM 10892 CB SER A 69931.576 67.977-3.587 1.00 36.64 CATOM 10895 OG SER A 69930.780 68.773-2.742 1.00 36.52 OATOM 10897 CSER A 69933.555 68.877-2.261 1.00 35.84 CATOM 10898 OSER A 69934.239 69.617-2.949 1.00 35.53 OATOM 10899 NCYS A 70033.336 69.166-0.973 1.00 35.08 NATOM 10901 CA CYS A 70033.847 70.428-0.407 1.00 34.69 CATOM 10903 CB CYS A 70032.713 71.3070.096 1.00 34.68 CATOM 10906 SG CYS A 70033.224 73.0170.388 1.00 34.84 SATOM 10907 CCYS A 70034.890 70.2860.711 1.00 34.61 CATOM 10908 OCYS A 70034.629 69.6911.748 1.00 33.93 OATOM 10909 NALA A 70136.061 70.8860.496 1.00 34.17 NATOM 10911 CA ALA A 70137.166 70.8011.450 1.00 33.48 CATOM 10913 CB ALA A 70138.500 70.9450.733 1.00 33.35 CATOM 10917 CALA A 70137.042 71.8712.522 1.00 33.01 CATOM 10918 OALA A 70136.444 72.9202.291 1.00 32.82 OATOM 10919 NILE A 70237.618 71.6043.692 1.00 32.22 NATOM 10921 CA ILE A 70237.691 72.5974.754 1.00 31.94 CATOM 10923 CB ILE A 70236.397 72.5915.594 1.00 31.52 CATOM 10925 CG1 ILE A 70236.403 73.7176.631 1.00 32.43 CATOM 10928 CD1 ILE A 70235.002 74.1447.079 1.00 32.73 CATOM 10932 CG2 ILE A 70236.172 71.2386.255 1.00 31.50 CATOM 10936 CILE A 70238.958 72.3835.597 1.00 31.76 CATOM 10937 OILE A 70239.438 71.2685.725 1.00 31.64 OATOM 10938 NSER A 70339.522 73.4706.123 1.00 31.58 N
ATOM 10940 CASER A 70340.812 73.3956.825 1.00 31.77 CATOM 10942 CBSER A 70341.542 74.7376.768 1.00 31.34 CATOM 10945 OGSER A 70341.918 75.0565.450 1.00 31.71 OATOM 10947 C SER A 70340.656 73.0078.288 1.00 31.66 CATOM 10948 O SER A 70339.891 73.6219.014 1.00 31.31 OATOM 10949 N TYR A 70441.403 71.9988.715 1.00 32.09 NATOM 10951 CATYR A 70441.575 71.71210.128 1.00 32.18 CATOM 10953 CBTYR A 70441.184 70.26610.446 1.00 31.90 CATOM 10956 CGTYR A 70439.689 70.03210.426 1.00 31.63 CATOM 10957 CD1 TYR A 70438.902 70.32911.528 1.00 33.08 CATOM 10959 CE1 TYR A 70437.536 70.11711.513 1.00 31.87 CATOM 10961 CZTYR A 70436.944 69.61510.377 1.00 32.99 CATOM 10962 OHTYR A 70435.585 69.42610.328 1.00 33.83 OATOM 10964 CE2 TYR A 70437.701 69.3269.265 1.00 32.76 CATOM 10966 CD2 TYR A 70439.061 69.5269.296 1.00 32.60 CATOM 10968 C TYR A 70443.017 72.01910.520 1.00 33.12 CATOM 10969 O TYR A 70443.889 71.16110.472 1.00 34.07 OATOM 10970 N THR A 70543.217 73.25910.930 1.00 34.11 NATOM 10972 CATHR A 70544.514 73.86011.239 1.00 35.17 CATOM 10974 CBTHR A 70544.249 75.30011.756 1.00 35.38 CATOM 10976 OG1 THR A 70543.855 76.13910.673 1.00 36.67 OATOM 10978 CG2 THR A 70545.502 75.96412.327 1.00 36.10 CATOM 10982 C THR A 70545.319 73.10512.301 1.00 35.43 CATOM 10983 O THR A 70546.532 72.92812.163 1.00 35.48 OATOM 10984 N SER A 70644.650 72.70013.367 1.00 35.51 NATOM 10986 CASER A 70645.323 72.04214.484 1.00 36.38 CATOM 10988 CBSER A 70644.496 72.18415.767 1.00 36.71 CATOM 10991 OGSER A 70644.712 73.46916.347 1.00 38.22 OATOM 10993 C SHR A 70645.696 70.57514.249 1.00 36.09 CATOM 10994 O SER A 70646.488 70.03015.010 1.00 36.27 OATOM 10995 N TYR A 70745.178 69.94313.197 1.00 35.59 NATOM 10997 CATYR A 70745.487 68.52912.939 1.00 35.36 CATOM 10999 CBTYR A 70744.743 67.99711.701 1.00 35.25 CATOM 11002 CGTYR A 70743.244 67.71611.916 1.00 34.23 CATOM 11003 CD1 TYR A 70742.575 68.12513.079 1.00 33.02 CATOM 11005 CE1 TYR A 70741.214 67.85413.266 1.00 32.73 CATOM 11007 CZTYR A 70740.509 67.17312.289 1.00 32.99 CATOM 11008 OHTYR A 70739.169 66.90712.468 1.00 32.84 OATOM 11010 CE2 TYR A 70741.143 66.75511.136 1.00 32.84 CATOM 11012 CD2 TYR A 70742.504 67.03410.953 1.00 33.18 CATOM 11014 C TYR A 70746.985 68.25712.794 1.00 35.69 CATOM 11015 O TYR A 70747.458 67.17113.150 1.00 35.37 OATOM 11016 N ARG A 70847.732 69.23012.277 1.00 35.37 NATOM 11018 CAARG A 70849.154 69.02312.039 1.00 35.60 CATOM 11020 CBARG A 70849.679 69.99210.974 1.00 35.91 CATOM 11023 CGARG A 70849.593 71.47311.303 1.00 37.21 CATOM 11026 CDARG A 70850.043 72.32210.120 1.00 38.84 CATOM 11029 NEARG A 70850.076 73.74810.405 1.00 41.09 NATOM 11031 CZARG A 70849.084 74.59810.147 1.00 43.99 CATOM 11032 NH1 ARG A 70847.938 74.1879.609 1.00 43.82 NATOM 11035 NH2 ARG A 70849.241 75.87810.445 1.00 46.05 NATOM 11038 C ARG A 70850.006 69.08913.314 1.00 34.79 CATOM 11039 O ARG A 70851.166 68.68913.300 1.00 34.98 OATOM 11040 N ASN A 70949.429 69.61014.389 1.00 33.91 NATOM 11042 CAASN A 70950.030 69.57715.712 1.00 33.60 CATOM 11044 CBASN A 70949.823 70.92116.382 1.00 33.87 CATOM 11047 CGASN A 70950.448 72.03115.600 1.00 34.05 CATOM 11048 OD1 ASN A 70951.676 72.14615.556 1.00 33.76 OATOM 11049 ND2 ASN A 70949.628 72.82414.925 1.00 31.16 NATOM 11052 C ASN A 70949.453 68.47316.577 1.00 33.51 CATOM 11053 O ASN A 70950.184 67.65617.134 1.00 33.19 OATOM 11054 N ILE A 71048.131 68.44416.670 1.00 33.20 NATOM 11056 CAILE A 71047.428 67.48817.518 1.00 33.43 CATOM 11058 CBILE A 71045.879 67.73017.414 1.00 33.75 CATOM 11060 CG1 ILE A 71045.512 68.97918.215 1.00 34.47 CATOM 11063 CD1 ILE A 71044.052 69.40018.092 1.00 36.18 CATOM 11067 CG2 ILE A 71045.088 66.49917.869 1.00 34.46 CATOM 11071 C ILE A 71047.784 66.03717.191 1.00 33.22 CATOM 11072 O ILE A 71048.095 65.25718.083 1.00 33.11 OATOM 11073 N PHE A 71147.731 65.66915.915 1.00 32.72 NATOM 11075 CAPHE A 71147.883 64.26415.555 1.00 32.68 CATOM 11077 CBPHE A 71147.157 63.94714.243 1.00 32.74 CATOM 11080 CGPHE A 71145.684 63.81614.434 1.00 31.55 CATOM 11081 CD1 PHE A 71144.817 64.77413.965 1.00 31.89 CATOM 11083 CE1 PHE A 71143.458 64.66814.194 1.00 32.43 CATOM 11085 CZPHE A 71142.958 63.60614.918 1.00 31.81 CATOM 11087 CE2 PHE A 71143.816 62.66015.409 1.00 32.99 C
ATOM 11089 CD2 PHE A 71145.178 62.776 15.180 1.00 33.41 CATOM 11091 CPHE A 71149.297 63.687 15.601 1.00 32.85 CATOM 11092 OPHE A 71149.456 62.530 15.966 1.00 32.78 OATOM 11093 NPRO A 71250.319 64.437 15.217 1.00 32.92 NATOM 11094 CA PRO A 71251.687 63.997 15.497 1.00 33.05 CATOM 11096 CB PRO A 71252.544 65.078 14.832 1.00 33.17 CATOM 11099 CG PRO A 71251.639 65.643 13.786 1.00 32.99 CATOM 11102 CD PRO A 71250.287 65.666 14.404 1.00 32.77 CATOM 11105 CPRO A 71251.961 63.855 17.003 1.00 33.39 CATOM 11106 OPRO A 71252.593 62.882 17.404 1.00 33.53 OATOM 11107 NILE A 71351.446 64.752 17.836 1.00 33.87 NATOM 11109 CA ILE A 71351.579 64.578 19.290 1.00 34.03 CATOM 11111 CB ILE A 71351.025 65.783 20.058 1.00 34.16 CATOM 11113 CG1 ILE A 71351.893 67.020 19.818 1.00 34.29 CATOM 11116 CD1 ILE A 71351.230 68.349 20.240 1.00 34.02 CATOM 11120 CG2 ILE A 71350.950 65.474 21.568 1.00 35.14 CATOM 11124 CILE A 71350.907 63.277 19.755 1.00 34.31 CATOM 11125 OILE A 71351.504 62.486 20.508 1.00 34.61 OATOM 11126 NTRP A 71449.689 63.042 19.281 1.00 34.16 NATOM 11128 CA TRP A 71448.885 61.867 19.658 1.00 33.98 CATOM 11130 CB TRP A 71447.503 61.973 19.009 1.00 33.94 CATOM 11133 CG TRP A 71446.398 61.306 19.711 1.00 33.58 CATOM 11134 CD1 TRP A 71446.472 60.252 20.563 1.00 33.76 CATOM 11136 NE1 TRP A 71445.218 59.916 21.004 1.00 34.80 NATOM 11138 CE2 TRP A 71444.305 60.763 20.440 1.00 33.44 CATOM 11139 CD2 TRP A 71445.015 61.649 19.617 1.00 34.11 CATOM 11140 CE3 TRP A 71444.300 62.631 18.918 1.00 33.75 CATOM 11142 CZ3 TRP A 71442.929 62.681 19.055 1.00 34.81 CATOM 11144 CH2 TRP A 71442.254 61.781 19.881 1.00 33.46 CATOM 11146 CZ2 TRP A 71442.924 60.815 20.578 1.00 33.87 CATOM 11148 CTRP A 71449.524 60.553 19.232 1.00 34.28 CATOM 11149 OTRP A 71449.591 59.602 20.007 1.00 34.35 OATOM 11150 NALA A 71549.981 60.503 17.987 1.00 34.80 NATOM 11152 CA ALA A 71550.561 59.297 17.403 1.00 34.83 CATOM 11154 CB ALA A 71550.609 59.433 15.872 1.00 35.02 CATOM 11158 CALA A 71551.962 58.986 17.941 1.00 34.98 CATOM 11159 OALA A 71552.285 57.828 18.194 1.00 34.60 OATOM 11160 NLEU A 71652.798 60.013 18.071 1.00 35.03 NATOM 11162 CA LEU A 71654.146 59.837 18.608 1.00 35.47 CATOM 11164 CB LEU A 71654.997 61.103 18.437 1.00 35.25 CATOM 11167 CG LEU A 71655.385 61.426 16.985 1.00 35.54 CATOM 11169 CD1 LEU A 71656.092 62.765 16.894 1.00 35.29 CATOM 11173 CD2 LEU A 71656.253 60.321 16.391 1.00 35.32 CATOM 11177 CLEU A 71654.053 59.467 20.084 1.00 35.79 CATOM 11178 OLEU A 71654.813 58.639 20.566 1.00 35.71 OATOM 11179 NGLY A 71753.091 60.061 20.778 1.00 36.06 NATOM 11181 CA GLY A 71752.847 59.764 22.176 1.00 36.26 CATOM 11184 CGLY A 71752.344 58.346 22.357 1.00 36.22 CATOM 11185 OGLY A 71752.808 57.641 23.243 1.00 36.56 OATOM 11186 NARG A 71851.409 57.922 21.511 1.00 36.12 NATOM 11188 CA ARG A 71850.906 56.551 21.550 1.00 35.84 CATOM 11190 CB ARG A 71849.824 56.328 20.497 1.00 35.84 CATOM 11193 CG ARG A 71849.207 54.939 20.553 1.00 35.51 CATOM 11196 CD ARG A 71847.919 54.771 19.751 1.00 35.17 CATOM 11199 NE ARG A 71846.821 55.569 20.294 1.00 34.83 NATOM 11201 CZ ARG A 71845.592 55.603 19.783 1.00 33.76 CATOM 11202 NH1 ARG A 71845.286 54.896 18.701 1.00 33.00 NATOM 11205 NH2 ARG A 71844.668 56.355 20.355 1.00 32.92 NATOM 11208 CARG A 71852.044 55.548 21.320 1.00 35.99 CATOM 11209 OARG A 71852.158 54.560 22.038 1.00 35.13 OATOM 11210 NPHE A 71952.872 55.794 20.310 1.00 36.03 NATOM 11212 CA PHE A 71953.968 54.884 20.021 1.00 36.43 CATOM 11214 CB PHE A 71954.749 55.320 18.784 1.00 36.34 CATOM 11217 CG PHE A 71955.909 54.435 18.480 1.00 35.52 CATCM 11218 CD1 PHE A 71957.126 54.626 19.120 1.00 35.19 CATOM 11220 CE1 PHE A 71958.203 53.795 18.848 1.00 36.17 CATOM 11222 CZ PHE A 71958.060 52.747 17.929 1.00 35.72 CATOM 11224 CE2 PHE A 71956.855 52.549 17.290 1.00 35.82 CATOM 11226 CD2 PHE A 71955.776 53.387 17.578 1.00 35.57 CATOM 11228 CPHE A 71954.916 54.792 21.223 1.00 37.02 CATOM 11229 OPHE A 71955.299 53.715 21.629 1.00 36.56 OATOM 11230 NSER A 72055.265 55.931 21.791 1.00 38.11 NATOM 11232 CA SER A 72056.174 55.971 22.927 1.00 39.70 CATOM 11234 CB SER A 72056.599 57.417 23.188 1.00 40.06 CATOM 11237 OG SER A 72055.909 57.972 24.285 1.00 43.67 OATOM 11239 CSER A 72055.616 55.262 24.190 1.00 40.05 CATOM 11240 OSER A 72056.382 54.671 24.949 1.00 40.10 O
ATOM 11241 NGLN A 72154.294 55.256 24.377 1.00 40.63 NATOM 11243 CA GLN A 72153.661 54.492 25.472 1.00 40.91 CATOM 11245 CB GLN A 72152.216 54.959 25.710 1.00 41.61 CATOM 11248 CG GLN A 72152.084 56.211 26.550 1.00 44.38 CATOM 11251 CD GLN A 72150.788 56.241 27.377 1.00 48.87 CATOM 11252 OE1 GLN A 72149.713 56.560 26.846 1.00 51.59 OATOM 11253 NE2 GLN A 72150.896 55.929 28.676 1.00 49.32 NATOM 11256 CGLN A 72153.638 52.977 25.223 1.00 40.25 CATOM 11257 OGLN A 72153.813 52.184 26.149 1.00 40.37 OATOM 11258 NLEU A 72253.405 52.580 23.976 1.00 39.32 NATOM 11260 CA LEU A 72253.210 51.177 23.629 1.00 38.75 CATOM 11262 CB LEU A 72252.505 51.054 22.270 1.00 38.98 CATOM 11265 CG LEU A 72250.994 51.331 22.270 1.00 39.96 CATOM 11267 CD1 LEU A 72250.410 51.091 20.879 1.00 40.46 CATOM 11271 CD2 LEU A 72250.304 50.461 23.295 1.00 41.03 CATOM 11275 CLEU A 72254.502 50.376 23.581 1.00 37.96 CATOM 11276 OLEU A 72254.498 49.182 23.836 1.00 36.90 OATOM 11277 NTYR A 72355.601 51.030 23.232 1.00 37.75 NATOM 11279 CA TYR A 72356.870 50.337 23.026 1.00 37.75 CATOM 11281 CB TYR A 72357.204 50.315 21.532 1.00 37.65 CATOM 11284 CG TYR A 72356.071 49.838 20.655 1.00 37.01 CATOM 11285 CD1 TYR A 72355.451 50.695 19.751 1.00 37.91 CATOM 11287 CE1 TYR A 72354.414 50.252 18.934 1.00 37.54 CATOM 11289 CZ TYR A 72353.986 48.935 19.033 1.00 38.20 CATOM 11290 OH TYR A 72352.964 48.452 18.255 1.00 37.97 OATOM 11292 CE2 TYR A 72354.596 48.076 19.922 1.00 38.26 CATOM 11294 CD2 TYR A 72355.629 48.530 20.722 1.00 37.51 CATOM 11296 CTYR A 72358.004 51.001 23.808 1.00 37.95 CATOM 11297 OTYR A 72359.035 51.352 23.227 1.00 37.94 OATOM 11298 NPRO A 72457.849 51.132 25.127 1.00 38.22 NATOM 11299 CA PRO A 72458.837 51.843 25.957 1.00 38.76 CATOM 11301 CB PRO A 72458.255 51.716 27.367 1.00 38.51 CATOM 11304 CG PRO A 72457.443 50.480 27.309 1.00 38.61 CATOM 11307 CD PRO A 72456.791 50.531 25.953 1.00 38.13 CATOM 11310 CPRO A 72460.219 51.184 25.924 1.00 39.34 CATOM 11311 OPRO A 72461.199 51.823 26.284 1.00 39.74 OATOM 11312 NGLU A 72560.275 49.921 25.509 1.00 40.05 NATOM 11314 CA GLU A 72561.525 49.157 25.404 1.00 40.81 CATOM 11316 CB GLU A 72561.232 47.640 25.463 1.00 40.55 CATOM 11319 CG GLU A 72560.889 46.973 24.124 1.00 40.83 CATOM 11322 CD GLU A 72559.473 47.249 23.631 1.00 39.96 CATOM 11323 OE1 GLU A 72558.703 47.996 24.282 1.00 38.12 OATOM 11324 OE2 GLU A 72559.116 46.694 22.580 1.00 41.48 OATOM 11325 CGLU A 72562.358 49.461 24.156 1.00 41.43 CATOM 11326 OGLU A 72563.547 49.164 24.141 1.00 42.15 OATOM 11327 NARG A 72661.743 50.003 23.102 1.00 41.87 NATOM 11329 CA ARG A 72662.453 50.266 21.841 1.00 42.14 CATOM 11331 CB ARG A 72661.476 50.265 20.668 1.00 42.57 CATOM 11334 CG ARG A 72660.711 48.967 20.486 1.00 43.84 CATOM 11337 CD ARG A 72660.124 48.787 19.090 1.00 46.79 CATOM 11340 NE ARG A 72660.230 47.386 18.724 1.00 49.99 NATOM 11342 CZ ARG A 72660.795 46.899 17.634 1.00 49.76 CATOM 11343 NH1 ARG A 72661.315 47.683 16.700 1.00 49.97 NATOM 11346 NH2 ARG A 72660.828 45.589 17.476 1.00 51.82 NATOM 11349 CARG A 72663.194 51.604 21.864 1.00 42.15 CATOM 11350 OARG A 72662.686 52.588 22.386 1.00 41.85 OATOM 11351 NALA A 72764.384 51.637 21.272 1.00 42.19 NATOM 11353 CA ALA A 72765.205 52.852 21.222 1.00 42.62 CATOM 11355 CB ALA A 72766.511 52.577 20.457 1.00 42.50 CATOM 11359 CALA A 72764.472 54.056 20.596 1.00 42.98 CATOM 11360 OALA A 72764.564 55.176 21.106 1.00 42.41 OATOM 11361 NLEU A 72863.751 53.822 19.499 1.00 43.55 NATOM 11363 CA LEU A 72863.025 54.891 18.795 1.00 44.21 CATOM 11365 CB LEU A 72862.417 54.362 17.492 1.00 44.17 CATOM 11368 CG LEU A 72862.411 55.217 16.218 1.00 44.81 CATOM 11370 CD1 LEU A 72861.095 55.016 15.461 1.00 45.24 CATOM 11374 CD2 LEU A 72862.673 56.697 16.432 1.00 45.34 CATOM 11378 CLEU A 72861.913 55.530 19.652 1.00 45.10 CATOM 11379 OLEU A 72861.536 56.666 19.429 1.00 44.25 OATOM 11380 NALA A 72961.386 54.793 20.624 1.00 46.79 NATOM 11382 CA ALA A 72960.393 55.348 21.545 1.00 48.36 CATOM 11384 CB ALA A 72959.794 54.258 22.413 1.00 48.30 CATOM 11388 CALA A 72960.967 56.466 22.412 1.00 49.96 CATOM 11389 OALA A 72960.265 57.432 22.698 1.00 49.71 OATOM 11390 NGLY A 73062.226 56.328 22.829 1.00 52.05 NATOM 11392 CA GLY A 73062.919 57.361 23.588 1.00 54.31 CATOM 11395 CGLY A 73062.846 57.214 25.102 1.00 56.54 C
ATOM 11396 OGLY A 730 63.118 58.166 25.835 1.00 56.80 OATOM 11397 NHIS A 731 62.495 56.010 25.545 1.00 59.26 NATOM 11399 CA HIS A 731 62.333 55.617 26.960 1.00 61.53 CATOM 11401 CB HIS A 731 63.710 55.498 27.651 1.00 62.03 CATOM 11404 CG HIS A 731 64.481 54.288 27.203 1.00 64.49 CATOM 11405 ND1 HIS A 731 65.380 54.318 26.155 1.00 67.33 NATOM 11407 CE1 HIS A 731 65.864 53.105 25.953 1.00 67.64 CATOM 11409 NE2 HIS A 731 65.301 52.281 26.818 1.00 67.54 NATOM 11411 CD2 HIS A 731 64.414 52.991 27.601 1.00 66.91 CATOM 11413 CHIS A 731 61.315 56.458 27.743 1.00 62.65 CATOM 11414 OHIS A 731 61.672 57.062 28.757 1.00 63.64 OATOM 11415 NPRO A 732 60.068 56.511 27.253 1.00 63.71 NATOM 11416 CA PRO A 732 58.995 57.326 27.834 1.00 64.31 CATOM 11418 CB PRO A 732 58.591 58.124 26.635 1.00 64.53 CATOM 11421 CG PRO A 732 58.646 57.034 25.544 1.00 64.50 CATOM 11424 CD PRO A 732 59.592 55.918 25.996 1.00 63.73 CATOM 11427 CPRO A 732 57.711 56.585 28.286 1.00 64.74 CATOM 11428 OPRO A 732 56.749 57.210 28.759 1.00 64.74 OATOM 11429 OXT PRO A 732 57.521 55.368 28.160 1.00 65.19 OATOM 11430 OW0 HOH W 1 37.442 59.380 1.756 1.00 18.25 OATOM 11433 OW0 HOH W 2 29.461 48.743 31.118 1.00 51.28 OATOM 11436 OW0 HOH W 3 19.719 70.473 -13.548 1.00 49.92 OATOM 11439 OW0 HOH W 4 19.234 69.861 16.744 1.00 32.55 OATOM 11442 OW0 HOH W 5 35.066 83.351 -1.196 1.00 33.26 OATOM 11445 OW0 HOH W 6 38.311 51.581 -0.515 1.00 33.00 OATOM 11448 OW0 HOH W 7 44.725 79.935 -5.414 1.00 36.41 OATOM 11451 OW0 HOH W 8 22.563 53.757 17.336 1.00 41.63 OATOM 11454 OW0 HOH W 9 45.289 79.580 12.237 1.00 29.06 OATOM 11457 OW0 HOH W 1034.013 82.045 1.189 1.00 28.93 OATOM 11460 OW0 HOH W 1121.724 69.021 17.504 1.00 32.18 OATOM 11463 OW0 HOH W 1253.485 71.129 17.523 1.00 30.56 OATOM 11466 OW0 HOH W 1334.767 67.941 8.328 1.00 30.95 OATOM 11469 OW0 HOH W 1432.428 77.909 24.180 1.00 32.51 OATOM 11472 OW0 HOH W 1529.851 64.643 5.021 1.00 33.51 OATOM 11475 OW0 HOH W 1637.511 80.217 2.465 1.00 25.69 OATOM 11478 OW0 HOH W 1728.659 73.674 23.467 1.00 34.53 OATOM 11481 OW0 HOH W 1836.903 84.587 14.105 1.00 29.65 OATOM 11484 OW0 HOH W 1929.801 71.633 32.780 1.00 38.22 OATOM 11487 OW0 HOH W 2049.260 56.210 0.886 1.00 32.65 OATOM 11490 OW0 HOH W 2116.358 76.519 -7.191 1.00 32.51 OATOM 11493 OW0 HOH W 2243.766 79.432 1.658 1.00 33.83 OATOM 11496 OW0 HOH W 2437.845 59.358 21.871 1.00 61.37 OATOM 11499 OW0 HOH W 2545.607 81.632 10.562 1.00 31.29 OATOM 11502 OW0 HOH W 2631.996 63.640 2.892 1.00 27.72 OATOM 11505 OW0 HOH W 2741.489 79.673 2.919 1.00 29.09 OATOM 11508 OW0 HOH W 2819.820 51.339 31.175 1.00 46.35 OATOM 11511 OW0 HOH W 2939.594 77.128 -6.109 1.00 28.48 OATOM 11514 OW0 HOH W 3041.541 72.144 13.396 1.00 33.63 OATOM 11517 OW0 HOH W 3131.159 74.854 -8.313 1.00 38.49 OATOM 11520 OW0 HOH W 3259.229 76.812 20.234 1.00 30.31 OATOM 11523 OW0 HOH W 3351.991 47.864 11.964 1.00 37.89 OATOM 11526 OW0 HOH W 3445.751 80.803 7.935 1.00 33.93 OATOM 11529 OW0 HOH W 3518.707 53.679 11.130 1.00 39.45 OATOM 11532 OW0 HOH W 3635.684 81.963 3.292 1.00 30.72 OATOM 11535 OW0 HOH W 3712.992 74.959 12.510 1.00 33.85 OATOM 11538 OW0 HOH W 3841.420 77.817 5.061 1.00 29.86 OATOM 11541 OW0 HOH W 3931.317 82.981 18.153 1.00 31.27 OATOM 11544 OW0 HOH W 4028.621 77.747 13.257 1.00 34.40 OATOM 11547 OW0 HOH W 4450.673 74.572 13.027 1.00 42.24 OATOM 11550 OW0 HOH W 4520.164 66.700 11.468 1.00 39.95 OATOM 11553 OW0 HOH W 475.536 76.081 14.030 1.00 46.21 OATOM 11556 OW0 HOH W 4836.405 82.022 14.191 1.00 31.24 OATOM 11559 OW0 HOH W 4923.294 63.536 -3.174 1.00 34.86 OATOM 11562 OW0 HOH W 5032.004 58.049 6.793 1.00 32.13 OATOM 11565 OW0 HOH W 5242.765 74.818 15.193 1.00 33.71 OATOM 11568 OW0 HOH W 5360.975 76.658 13.372 1.00 37.15 OATOM 11571 OW0 HOH W 5422.076 59.665 31.479 1.00 42.76 OATOM 11574 OW0 HOH W 5539.716 76.259 16.894 1.00 30.90 OATOM 11577 OW0 HOH W 5646.495 80.602 -0.112 1.00 37.05 OATOM 11580 OW0 HOH W 5737.777 66.008 10.708 1.00 30.15 OATOM 11583 OW0 HOH W 5818.089 76.477 16.085 1.00 33.54 OATOM 11586 OW0 HOH W 5926.026 83.495 -19.613 1.00 42.33 OATOM 11589 OW0 HOH W 6050.943 75.224 31.228 1.00 34.39 OATOM 11592 OW0 HOH W 6142.857 74.942 -5.979 1.00 34.85 OATOM 11595 OW0 HOH W 6248.725 76.998 6.436 1.00 43.56 OATOM 11598 OW0 HOH W 6317.897 79.410 9.269 1.00 40.07 OATOM 11601 OW0 HOH W 6457.667 52.312 4.133 1.00 37.67 O
ATOM 11604 OW0 HOH W 6544.821 78.303 -1.042 1.00 34.59OATOM 11607 OW0 HOH W 6638.862 96.151 13.068 1.00 30.84OATOM 11610 OW0 HOH W 6763.535 51.064 17.764 1.00 32.59OATOM 11613 OW0 HOH W 6843.294 66.368 0.7821.00 41.69OATOM 11616 OW0 HOH W 6934.764 69.361 -5.384 1.00 42.70OATOM 11619 OW0 HOH W 7111.845 81.676 20.311 1.00 47.41OATOM 11622 OW0 HOH W 7229.743 84.299 22.355 1.00 34.94OATOM 11625 OW0 HOH W 7333.729 60.249 0.0061.00 33.31OATOM 11628 OW0 HOH W 7428.017 72.744 16.405 1.00 36.77OATOM 11631 OW0 HOH W 7534.704 62.826 12.151 1.00 36.26OATOM 11634 OW0 HOH W 7724.476 51.739 18.744 1.00 33.00OATOM 11637 OW0 HOH W 7817.382 63.270 9.0681.00 33.69OATOM 11640 OW0 HOH W 7931.093 71.880 -8.058 1.00 38.49OATOM 11643 OW0 HOH W 8032.765 52.577 4.3671.00 30.64OATOM 11646 OW0 HOH W 8136.787 88.812 13.211 1.00 35.04OATOM 11649 OW0 HOH W 8240.594 40.807 16.754 1.00 38.29OATOM 11652 OW0 HOH W 8355.995 77.465 13.108 1.00 35.96OATOM 11655 OW0 HOH W 8438.457 78.019 15.170 1.00 26.77OATOM 11658 OW0 HOH W 8516.595 75.461 14.041 1.00 37.01OATOM 11661 OW0 HOH W 8641.789 86.833 24.774 1.00 60.89OATOM 11664 OW0 HOH W 8830.807 92.637 17.108 1.00 42.37OATOM 11667 OW0 HOH W 8921.512 76.608 20.009 1.00 38.70OATOM 11670 OW0 HOH W 9145.336 78.692 19.015 1.00 33.10OATOM 11673 OW0 HOH W 9223.657 64.571 5.3011.00 34.74OATOM 11676 OW0 HOH W 9330.272 55.734 7.5431.00 33.75OATOM 11679 OW0 HOH W 9418.518 64.695 -7.124 1.00 38.53OATOM 11682 OW0 HOH W 9543.549 71.106 6.9041.00 31.88OATOM 11685 OW0 HOH W 9615.149 73.931 10.923 1.00 42.15OATOM 11688 OW0 HOH W 9718.835 74.329 -4.626 1.00 37.48OATOM 11691 OW0 HOH W 9840.076 58.029 19.628 1.00 41.09OATOM 11694 OW0 HOH W 9932.251 74.746 -15.216 1.00 47.49OATOM 11697 OW0 HOH W 10014.698 76.949 12.870 1.00 30.77OATOM 11700 OW0 HOH W 10229.925 93.742 12.392 1.00 33.95OATOM 11703 OW0 HOH W 10333.800 61.853 14.575 1.00 40.57OATOM 11706 OW0 HOH W 1044.329 82.336 13.443 1.00 57.36OATOM 11709 OW0 HOH W 10530.544 82.076 20.582 1.00 36.56OATOM 11712 OW0 HOH W 10650.754 68.799 33.678 1.00 45.45OATOM 11715 OW0 HOH W 10740.046 52.525 -2.305 1.00 34.73OATOM 11718 OW0 HOH W 10849.035 42.660 7.7191.00 50.41OATOM 11721 OW0 HOH W 10924.502 77.353 7.8091.00 40.25OATOM 11724 OW0 HOH W 11016.057 63.076 16.173 1.00 40.58OATOM 11727 OW0 HOH W 11122.198 96.807 -17.117 1.00 44.50OATOM 11730 OW0 HOH W 11223.863 74.752 -5.986 1.00 39.14OATOM 11733 OW0 HOH W 11330.990 69.723 -6.745 1.00 39.90OATOM 11736 OW0 HOH W 11427.525 73.793 13.846 1.00 41.01OATOM 11739 OW0 HOH W 11515.791 61.480 19.156 1.00 47.06OATOM 11742 OW0 HOH W 11644.447 63.677 -7.268 1.00 40.40OATOM 11745 OW0 HOH W 11723.723 74.805 7.2731.00 49.86OATOM 11748 OW0 HOH W 11833.850 82.857 16.732 1.00 37.07OATOM 11751 OW0 HOH W 11924.566 88.011 21.222 1.00 40.61OATOM 11754 OW0 HOH W 12041.920 59.535 23.999 1.00 40.40OATOM 11757 OW0 HOH W 12136.042 43.079 4.9471.00 54.42OATOM 11760 OW0 HOH W 12259.463 80.222 15.796 1.00 36.51OATOM 11763 OW0 HOH W 12348.007 87.568 7.2641.00 36.19OATOM 11766 OW0 HOH W 12459.280 70.068 7.5071.00 38.79OATOM 11769 OW0 HOH W 12642.774 55.660 -7.582 1.00 56.42OATOM 11772 OW0 HOH W 12730.757 72.669 -17.926 1.00 56.28OATOM 11775 OW0 HOH W 12829.468 72.160 35.456 1.00 43.18OATOM 11778 OW0 HOH W 12944.077 60.553 25.725 1.00 43.38OATOM 11781 OW0 HOH W 13021.922 51.382 19.557 1.00 33.10OATOM 11784 OW0 HOH W 13141.304 78.816 -4.729 1.00 30.74OATOM 11787 OW0 HOH W 13243.079 94.944 -0.271 1.00 39.38OATOM 11790 OW0 HOH W 13326.277 90.396 -19.195 1.00 48.28OATOM 11793 OW0 HOH W 13440.508 74.823 12.337 1.00 34.34OATOM 11796 OW0 HOH W 13518.697 88.292 15.568 1.00 37.63OATOM 11799 OW0 HOH W 13624.611 63.850 7.7421.00 35.78OATOM 11802 OW0 HOH W 13737.366 64.018 -8.962 1.00 41.18OATOM 11805 OW0 HOH W 13818.933 59.428 27.070 1.00 42.21OATOM 11808 OW0 HOH W 13919.082 86.132 19.734 1.00 43.17OATOM 11811 OW0 HOH W 14051.181 33.177 20.388 1.00 52.87OATOM 11814 OW0 HOH W 14118.994 77.235 -3.510 1.00 41.27OATOM 11817 OW0 HOH W 14246.897 65.518 -0.907 1.00 47.55OATOM 11820 OW0 HOH W 14335.757 87.508 20.919 1.00 38.61OATOM 11823 OW0 HOH W 14541.247 75.730 -12.838 1.00 39.02OATOM 11826 OW0 HOH W 14617.449 76.365 -10.259 1.00 41.78OATOM 11829 OW0 HOH W 14740.631 85.902 17.256 1.00 47.23OATOM 11832 OW0 HOH W 14822.214 60.016 15.800 1.00 36.60O
ATOM 11835 OW0 HOH W 14937.775 55.331 33.869 1.00 73.68OATOM 11838 OW0 HOH W 15064.341 60.487 24.134 1.00 46.41OATOM 11841 OW0 HOH W 15129.740 84.389 26.454 1.00 51.72OATOM 11844 OW0 HOH W 15244.492 67.165 -1.790 1.00 30.80OATOM 11847 OW0 HOH W 15314.273 96.815 5.763 1.00 45.86OATOM 11850 OW0 HOH W 15439.724 52.572 20.575 1.00 34.97OATOM 11853 OW0 HOH W 15534.203 82.427 31.250 1.00 64.22OATOM 11856 OW0 HOH W 15638.074 59.491 18.518 1.00 49.98OATOM 11859 OW0 HOH W 15721.379 68.074 -7.176 1.00 36.93OATOM 11862 OW0 HOH W 15841.341 80.514 31.833 1.00 66.69OATOM 11865 OW0 HOH W 15918.432 49.679 25.508 1.00 44.87OATOM 11868 OW0 HOH W 16033.333 70.687 -18.502 1.00 56.26OATOM 11871 OW0 HOH W 16137.599 73.751 35.946 1.00 63.69OATOM 11874 OW0 HOH W 16223.619 48.379 10.794 1.00 45.23OATOM 11877 OW0 HOH W 16415.716 72.862 14.216 1.00 45.77OATOM 11880 OW0 HOH W 16546.044 72.656 3.268 1.00 42.41OATOM 11883 OW0 HOH W 166-4.662 78.552 -10.977 1.00 87.59OATOM 11886 OW0 HOH W 16744.519 73.498 0.683 1.00 53.59OATOM 11889 OW0 HOH W 16846.342 86.309 21.839 1.00 48.09OATOM 11892 OW0 HOH W 16937.850 102.505 13.351 1.00 45.40OATOM 11895 OW0 HOH W 17062.548 53.468 24.842 1.00 43.65OATOM 11898 OW0 HOH W 17154.493 78.025 20.816 1.00 60.03OATOM 11901 OW0 HOH W 17215.055 69.663 -12.558 1.00 39.32OATOM 11904 OW0 HOH W 17327.623 53.952 38.888 1.00 57.61OATOM 11907 OW0 HOH W 17454.718 53.247 28.463 1.00 39.68OATOM 11910 OW0 HOH W 17514.918 85.967 17.334 1.00 46.76OATOM 11913 OW0 HOH W 17611.145 80.428 -9.784 1.00 36.01OATOM 11916 OW0 HOH W 17720.309 70.325 19.506 1.00 37.35OATOM 11919 OW0 HOH W 17820.482 65.211 28.847 1.00 50.09OATOM 11922 OW0 HOH W 17947.321 78.563 10.730 1.00 48.50OATOM 11925 OW0 HOH W 18041.776 65.876 40.717 1.00 57.45OATOM 11928 OW0 HOH W 18127.095 62.990 4.079 1.00 36.90OATOM 11931 OW0 HOH W 18264.636 67.189 9.933 1.00 62.83OATOM 11934 OW0 HOH W 18319.153 73.143 -11.786 1.00 49.53OATOM 11937 OW0 HOH W 18425.486 70.907 31.512 1.00 50.17OATOM 11940 OW0 HOH W 18537.859 67.834 -8.513 1.00 53.07OATOM 11943 OW0 HOH W 18644.540 64.462 2.641 1.00 38.37OATOM 11946 OW0 HOH W 18755.853 55.773 -2.364 1.00 39.82OATOM 11949 OW0 HOH W 18853.707 48.718 4.819 1.00 45.19OATOM 11952 OW0 HOH W 18950.372 69.031 7.517 1.00 39.85OATOM 11955 OW0 HOH W 19031.716 99.788 -8.762 1.00 42.68OATOM 11958 OW0 HOH W 19123.349 55.869 7.085 1.00 39.90OATOM 11961 OW0 HOH W 19259.410 87.261 16.122 1.00 47.78OATOM 11964 OW0 HOH W 19360.019 79.871 23.326 1.00 42.92OATOM 11967 OW0 HOH W 19459.085 53.961 30.092 1.00 43.48OATOM 11970 OW0 HOH W 19543.631 78.242 -3.679 1.00 34.12OATOM 11973 OW0 HOH W 19647.134 40.063 9.701 1.00 43.25OATOM 11976 OW0 HOH W 19730.159 80.989 23.875 1.00 38.79OATOM 11979 OW0 HOH W 19828.472 43.316 17.955 1.00 51.51OATOM 11982 OW0 HOH W 19922.843 80.742 22.587 1.00 38.72OATOM 11985 OW0 HOH W 20053.264 49.808 27.682 1.00 39.33OATOM 11988 OW0 HOH W 20113.659 88.942 -10.405 1.00 41.45OATOM 11991 OW0 HOH W 20232.135 41.411 8.635 1.00 42.32OATOM 11994 OW0 HOH W 20357.860 45.982 8.298 1.00 48.39OATOM 11997 OW0 HOH W 20418.738 54.289 25.107 1.00 46.91OATOM 12000 OW0 HOH W 20527.056 61.345 -3.059 1.00 49.73OATOM 12003 OW0 HOH W 20646.969 78.169 8.025 1.00 36.40OATOM 12006 OW0 HOH W 20829.389 62.745 2.689 1.00 37.42OATOM 12009 OW0 HOH W 20947.844 69.954 6.220 1.00 44.85OATOM 12012 OW0 HOH W 21058.057 72.000 27.650 1.00 49.28OATOM 12015 OW0 HOH W 21145.495 79.807 15.039 1.00 41.43OATOM 12018 OW0 HOH W 21239.559 103.383 9.463 1.00 39.57OATOM 12021 OW0 HOH W 21345.090 75.640 -1.233 1.00 35.37OATOM 12024 OW0 HOH W 2145.546 84.594 -4.372 1.00 43.68OATOM 12027 OW0 HOH W 21562.494 68.066 15.934 1.00 45.58OATOM 12030 OW0 HOH W 21621.007 68.508 -13.055 1.00 48.32OATOM 12033 OW0 HOH W 21756.382 61.458 0.407 1.00 39.35OATOM 12036 OW0 HOH W 21845.644 56.148 -6.425 1.00 47.94OATOM 12039 OW0 HOH W 21951.653 46.010 18.112 1.00 42.13OATOM 12042 OW0 HOH W 22046.035 52.592 21.560 1.00 37.76OATOM 12045 OW0 HOH W 2210.706 78.349 -2.291 1.00 40.87OATOM 12048 OW0 HOH W 22246.668 38.772 24.539 1.00 43.68OATOM 12051 OW0 HOH W 22310.443 62.344 5.388 1.00 39.16OATOM 12054 OW0 HOH W 22427.324 83.179 3.529 1.00 40.95OATOM 12057 OW0 HOH W 22544.847 52.398 -3.822 1.00 41.77OATOM 12060 OW0 HOH W 2262.302 68.476 11.928 1.00 56.84OATOM 12063 OW0 HOH W 22759.369 62.599 6.401 1.00 48.20O
ATOM 12066 OW0 HOH W 22949.301 65.268 -4.265 1.00 45.18 OATOM 12069 OW0 HOH W 23042.237 106.246 17.717 1.00 59.09 OATOM 12072 OW0 HOH W 23153.541 80.316 3.016 1.00 45.39 OATOM 12075 OW0 HOH W 23262.534 79.805 16.487 1.00 47.08 OATOM 12078 OW0 HOH W 23316.781 74.108 -6.184 1.00 38.18 OATOM 12081 OW0 HOH W 23453.875 62.274 6.969 1.00 43.27 OATOM 12084 OW0 HOH W 23523.550 47.206 14.608 1.00 37.61 OATOM 12087 OW0 HOH W 23615.849 95.733 -1.561 1.00 40.99 OATOM 12090 OW0 HOH W 23717.294 65.267 10.871 1.00 40.73 OATOM 12093 OW0 HOH W 23819.700 96.404 -16.532 1.00 45.17 OATOM 12096 OW0 HOH W 23910.163 71.107 23.690 1.00 54.74 OATOM 12099 OW0 HOH W 24043.687 62.764 39.353 1.00 60.51 OATOM 12102 OW0 HOH W 24246.222 68.782 29.089 1.00 48.15 OATOM 12105 OW0 HOH W 24343.479 52.884 21.108 1.00 36.62 OATOM 12108 OW0 HOH W 24425.945 42.870 11.831 1.00 58.11 OATOM 12111 OW0 HOH W 24512.479 93.056 -2.390 1.00 42.88 OATOM 12114 OW0 HOH W 24647.494 91.199 22.075 1.00 42.02 OATOM 12117 OW0 HOH W 24750.137 39.674 17.907 1.00 43.36 OATOM 12120 OW0 HOH W 24857.337 58.642 -0.312 1.00 41.92 OATOM 12123 OW0 HOH W 25035.094 62.200 16.813 1.00 41.54 OATOM 12126 OW0 HOH W 25122.291 58.424 38.547 1.00 57.36 OATOM 12129 OW0 HOH W 25237.076 66.644 19.517 1.00 46.29 OATOM 12132 OW0 HOH W 25352.506 54.179 29.428 1.00 46.39 OATOM 12135 OW0 HOH W 25431.628 75.254 -17.779 1.00 49.82 OATOM 12138 OW0 HOH W 25561.085 65.557 5.639 1.00 70.99 OATOM 12141 OW0 HOH W 25649.153 77.546 27.569 1.00 43.96 OATOM 12144 OW0 HOH W 25719.767 64.017 22.445 1.00 43.11 OATOM 12147 OW0 HOH W 25813.798 99.245 11.667 1.00 60.91 OATOM 12150 OW0 HOH W 25944.733 87.544 -8.059 1.00 42.99 OATOM 12153 OW0 HOH W 26053.693 56.759 14.209 1.00 54.53 OATOM 12156 OW0 HOH W 26131.912 52.965 1.895 1.00 45.43 OATOM 12159 OW0 HOH W 26213.274 73.452 -3.862 1.00 48.70 OATOM 12162 OW0 HOH W 26310.257 91.839 -1.691 1.00 43.66 OATOM 12165 OW0 HOH W 26420.475 82.177 13.702 1.00 47.58 OATOM 12168 OW0 HOH W 26526.076 101.772 5.798 1.00 52.30 OATOM 12171 OW0 HOH W 26651.083 65.747 -2.084 1.00 42.12 OATOM 12174 OW0 HOH W 26753.216 94.653 19.693 1.00 52.50 OATOM 12177 OW0 HOH W 26829.190 90.502 -20.503 1.00 44.30 OATOM 12180 OW0 HOH W 2695.626 71.750 12.015 1.00 44.33 OATOM 12183 OW0 HOH W 27034.985 74.882 -15.248 1.00 57.53 OATOM 12186 OW0 HOH W 27127.860 56.426 6.471 1.00 41.22 OATOM 12189 OW0 HOH W 2735.378 79.277 24.181 1.00 60.39 OATOM 12192 OW0 HOH W 27445.767 102.278 19.996 1.00 80.40 OATOM 12195 OW0 HOH W 27555.621 68.448 4.306 1.00 44.67 OATOM 12198 OW0 HOH W 27647.656 68.196 8.193 1.00 37.29 OATOM 12201 OW0 HOH W 27733.808 71.423 -7.747 1.00 44.50 OATOM 12204 OW0 HOH W 27817.152 90.403 -11.865 1.00 52.04 OATOM 12207 OW0 HOH W 27913.766 55.483 2.013 1.00 47.12 OATOM 12210 OW0 HOH W 28055.939 77.740 23.142 1.00 52.17 OATOM 12213 OW0 HOH W 28145.130 73.438 38.269 1.00 62.64 OATOM 12216 OW0 HOH W 28253.798 58.765 26.268 1.00 56.15 OATOM 12219 OW0 HOH W 28311.647 82.917 -20.280 1.00 61.09 OATOM 12222 OW0 HOH W 28447.387 58.614 -7.464 1.00 49.39 OATOM 12225 OW0 HOH W 28522.624 52.014 7.861 1.00 44.13 OATOM 12228 OW0 HOH W 28629.067 81.837 26.246 1.00 50.80 OATOM 12231 OW0 HOH W 28746.595 32.085 23.453 1.00 60.98 OATOM 12234 OW0 HOH W 28816.118 89.259 -8.775 1.00 47.81 OATOM 12237 OW0 HOH W 28912.489 72.998 -1.551 1.00 68.87 OATOM 12240 OW0 HOH W 29034.082 64.891 -1.969 1.00 32.17 OATOM 12243 OW0 HOH W 29143.618 84.708 23.741 1.00 56.13 OATOM 12246 OW0 HOH W 29255.492 79.324 25.128 1.00 44.93 OATOM 12249 OW0 HOH W 29325.933 62.555 -5.343 1.00 46.47 OATOM 12252 OW0 HOH W 29414.142 93.164 17.417 1.00 41.47 OATOM 12255 OW0 HOH W 29551.034 77.531 29.384 1.00 52.49 OATOM 12258 OW0 HOH W 296-6.050 76.247 -10.789 1.00 90.33 OATOM 12261 OW0 HOH W 29754.296 90.131 16.203 1.00 38.32 OATOM 12264 OW0 HOH W 29845.062 90.498 21.932 1.00 48.48 OATOM 12267 OW0 HOH W 29912.649 85.216 -19.728 1.00 50.04 OATOM 12270 OW0 HOH W 30044.275 77.803 -12.720 1.00 53.02 OATOM 12273 OW0 HOH W 30143.993 46.416 0.146 1.00 45.77 OATOM 12276 OW0 HOH W 30217.708 56.688 21.417 1.00 51.68 OATOM 12279 OW0 HOH W 30367.881 54.921 26.843 1.00 70.89 OATOM 12282 OW0 HOH W 30445.929 77.192 16.534 1.00 45.84 OATOM 12285 OW0 HOH W 30533.932 61.921 1.822 1.00 38.21 OATOM 12288 OW0 HOH W 30635.014 40.234 14.500 1.00 55.08 OATOM 12291 OW0 HOH W 30746.917 92.993 24.190 1.00 63.02 OATOM 12294 OW0 HOH W 30838.911 91.811 19.012 1.00 57.32 O
ATOM 12297 OW0 HOH W3091.037 85.379-0.998 1.00 47.54OATOM 12300 OW0 HOH W31040.786 40.20411.634 1.00 41.03OATOM 12303 OW0 HOH W31135.997 41.0466.3351.00 58.49OATOM 12306 OW0 HOH W31216.890 72.63330.573 1.00 51.31OATOM 12309 OW0 HOH W31358.311 77.41922.644 1.00 43.86OATOM 12312 OW0 HOH W31443.915 91.444-17.004 1.00 55.20OATOM 12315 OW0 HOH W3155.908 82.720-11.163 1.00 50.14OATOM 12318 OW0 HOH W31645.480 44.13023.419 1.00 50.60OATOM 12321 OW0 HOH W31726.109 66.47240.818 1.00 60.09OATOM 12324 OW0 HOH W31853.813 75.5046.6371.00 47.37OATOM 12327 OW0 HOH W31955.898 63.95727.562 1.00 47.64OATOM 12330 OW0 HOH W32056.653 63.22625.240 1.00 52.43OATOM 12333 OW0 HOH W32148.794 53.732-2.908 1.00 45.30OATOM 12336 OW0 HOH W32246.189 101.50811.706 1.00 60.68OATOM 12339 OW0 HOH W32323.656 90.628-27.526 1.00 68.12OATOM 12342 OW0 HOH W32437.836 69.455-6.106 1.00 47.84OATOM 12345 OW0 HOH W32515.172 65.16420.804 1.00 41.44OATOM 12348 OW0 HOH W32622.497 50.30135.462 1.00 50.03OATOM 12351 OW0 HOH W32730.739 81.799-15.503 1.00 79.26OATOM 12354 OW0 HOH W32912.530 69.509-13.858 1.00 41.87OATOM 12357 OW0 HOH W33049.507 44.5333.7661.00 47.29OATOM 12360 OW0 HOH W33226.598 81.9661.0751.00 41.37OATOM 12363 OW0 HOH W33326.741 77.3566.5461.00 52.89OATOM 12366 BR18 RO0 L1 22.902 71.2481.8821.00 60.47BRATOM 12367 C16 RO0 L1 24.299 72.0082.9101.00 53.76CATOM 12368 C14 RO0 L1 24.037 73.1103.7121.00 52.63CATOM 12370 C11 RO0 L1 25.051 73.6724.4821.00 51.13CATOM 12372 C13 RO0 L1 25.578 71.4622.8741.00 53.35CATOM 12374 C10 RO0 L1 26.594 72.0223.6471.00 52.41CATOM 12376 C5 RO0 L1 26.326 73.1324.4451.00 50.59CATOM 12377 C2 RO0 L1 27.382 73.7345.3071.00 49.87CATOM 12378 O6 RO0 L1 27.515 74.9385.4151.00 52.33OATOM 12379 C1 RO0 L1 28.255 72.8436.1231.00 48.52CATOM 12380 C3 RO0 L1 29.536 73.2516.4611.00 47.79CATOM 12381 F8 RO0 L1 29.987 74.4416.0591.00 47.36FATOM 12382 C7 RO0 L1 30.353 72.4427.2311.00 47.53CATOM 12384 C12 RO0 L1 29.883 71.2117.6631.00 47.52CATOM 12385 C9 RO0 L1 28.604 70.7997.3231.00 47.95CATOM 12387 C4 RO0 L1 27.788 71.6136.5561.00 47.59CATOM 12389 O15 RO0 L1 30.639 70.3588.4111.00 48.97OATOM 12390 C17 RO0 L1 31.803 70.7569.1301.00 48.83CATOM 12393 C19 RO0 L1 31.358 71.59110.313 1.00 48.35CATOM 12396 C20 RO0 L1 31.582 70.83611.603 1.00 49.19CATOM 12399 C21 RO0 L1 30.436 69.88711.898 1.00 48.94CATOM 12402 C22 RO0 L1 30.863 68.73712.801 1.00 48.51CATOM 12405 C23 RO0 L1 30.307 67.46312.200 1.00 49.30CATOM 12408 N24 RO0 L1 30.763 66.27912.926 1.00 48.08NATOM 12409 C28 RO0 L1 29.960 65.12012.552 1.00 47.52CATOM 12413 C25 RO0 L1 32.195 66.02713.069 1.00 48.01CATOM 12416 C26 RO0 L1 33.047 66.41611.893 1.00 47.61CATOM 12418 C27 RO0 L1 34.270 66.87812.102 1.00 46.15CATOM 12421 C1 BOG X1 5.233 76.759-17.060 1.00 63.02CATOM 12423 O1 BOG X1 5.225 75.561-17.842 1.00 63.03OATOM 12424 C1′ BOG X1 3.883 75.275-18.271 1.00 62.32CATOM 12427 C2′ BOG X1 3.786 74.030-19.164 1.00 61.78CATOM 12430 C3′ BOG X1 2.410 73.927-19.848 1.00 60.65CATOM 12433 C4′ BOG X1 2.065 72.458-20.107 1.00 60.22CATOM 12436 C5′ BOG X1 0.756 72.282-20.883 1.00 59.70CATOM 12439 C6′ BOG X1 0.494 70.785-21.090 1.00 59.75CATOM 12442 C7′ BOG X1 -0.671 70.521-22.041 1.00 59.73CATOM 12445 C8′ BOG X1 -0.699 69.086-22.530 1.00 60.14CATOM 12449 C2 BOG X1 6.131 76.663-15.835 1.00 62.76CATOM 12451 O2 BOG X1 5.776 75.512-15.088 1.00 61.76OATOM 12453 C3 BOG X1 5.954 77.941-15.007 1.00 63.31CATOM 12455 O3 BOG X1 6.754 77.955-13.831 1.00 63.50OATOM 12457 C4 BOG X1 6.255 79.166-15.872 1.00 63.68CATOM 12459 O4 BOG X1 6.007 80.360-15.134 1.00 62.94OATOM 12461 C5 BOG X1 5.369 79.126-17.116 1.00 64.51CATOM 12463 C6 BOG X1 5.537 80.355-18.002 1.00 65.73CATOM 12466 O6 BOG X1 6.221 80.039-19.209 1.00 67.79OATOM 12468 O5 BOG X1 5.625 77.901-17.838 1.00 63.04OATOM 12469 C1 BOG X2 9.759 74.055-18.913 1.00 64.44CATOM 12471 O1 BOG X2 9.330 72.863-18.246 1.00 65.54OATOM 12472 C1′ BOG X2 7.902 72.709-18.244 1.00 64.03CATOM 12475 C2′ BOG X2 7.478 71.317-17.758 1.00 63.21CATOM 12478 C3′ BOG X2 6.011 71.317-17.320 1.00 62.69CATOM 12481 C4′ BOG X2 5.408 69.917-17.233 1.00 62.67C
ATOM 12484 C5′BOG X23.995 69.937 -16.645 1.00 62.26 CATOM 12487 C6′BOG X23.156 68.753 -17.122 1.00 61.96 CATOM 12490 C7′BOG X21.701 68.867 -16.655 1.00 62.09 CATOM 12493 C8′BOG X20.770 67.897 -17.372 1.00 61.65 CATOM 12497 C2 BOG X210.814 74.185 -18.152 0.00 55.21 CATOM 12499 O2 BOG X210.725 73.497 -16.907 0.00 55.50 OATOM 12501 C3 BOG X210.842 75.708 -17.933 0.00 54.78 CATOM 12503 O3 BOG X212.005 76.085 -17.195 0.00 54.42 OATOM 12505 C4 BOG X210.788 76.455 -19.278 0.00 54.79 CATOM 12507 O4 BOG X210.653 77.862 -19.069 0.00 55.07 OATOM 12509 C5 BOG X29.638 75.916 -20.154 0.00 54.82 CATOM 12511 C6 BOG X29.592 76.618 -21.523 0.00 54.83 CATOM 12514 O6 BOG X210.810 76.438 -22.240 0.00 53.33 OATOM 12516 O5 BOG X29.740 74.494 -20.321 0.00 55.21 OATOM 12517 C1 BOG X317.095 61.886 -15.765 1.00 56.12 CATOM 12519 O1 BOG X315.710 62.234 -15.795 1.00 56.99 OATOM 12520 C1′BOG X314.861 61.266 -16.413 1.00 56.98 CATOM 12523 C2′BOG X313.427 61.789 -16.431 1.00 57.10 CATOM 12526 C3′BOG X312.456 60.683 -16.849 1.00 57.83 CATOM 12529 C4′BOG X311.008 61.168 -16.925 1.00 57.22 CATOM 12532 C5′BOG X39.957 59.205 -16.790 0.00 30.00 CATOM 12535 C6′BOG X38.472 59.571 -16.869 0.00 30.00 CATOM 12538 C7′BOG X37.661 58.334 -17.264 0.00 30.00 CATOM 12541 C8′BOG X36.175 58.699 -17.344 0.00 30.00 CATOM 12545 C2 BOG X317.847 63.142 -15.338 1.00 56.24 CATOM 12547 O2 BOG X317.595 64.188 -16.275 1.00 56.31 OATOM 12549 C3 BOG X319.346 62.869 -15.193 1.00 55.79 CATOM 12551 O3 BOG X320.005 64.027 -14.683 1.00 55.45 OATOM 12553 C4 BOG X319.561 61.700 -14.235 1.00 55.88 CATOM 12555 O4 BOG X320.943 61.393 -14.188 1.00 55.99 OATOM 12557 C5 BOG X318.734 60.484 -14.669 1.00 55.86 CATOM 12559 C6 BOG X318.871 59.342 -13.664 1.00 55.91 CATOM 12562 O6 BOG X318.364 59.707 -12.391 1.00 54.30 OATOM 12564 O5 BOG X317.344 60.825 -14.838 1.00 56.05 OATOM 12565 O1 OLA X133 4.645 63.773 -0.622 1.00 58.56 OATOM 12566 C1 OLA X133 5.299 64.161 -1.815 1.00 56.21 CATOM 12567 O2 OLA X133 5.651 63.223 -2.674 1.00 58.26 OATOM 12569 C2 OLA X133 5.586 65.622 -2.089 1.00 53.41 CATOM 12572 C3 OLA X133 7.104 65.817 -2.188 1.00 51.84 CATOM 12575 C4 OLA X133 7.489 67.275 -2.422 1.00 49.45 CATOM 12578 C5 OLA X133 9.004 67.369 -2.545 1.00 48.23 CATOM 12581 C6 OLA X133 9.490 68.784 -2.320 1.00 47.86 CATOM 12584 C7 OLA X133 10.689 69.113 -3.189 1.00 47.51 CATOM 12587 C8 OLA X133 11.967 68.628 -2.543 1.00 47.65 CATOM 12590 C9 OLA X133 13.139 69.266 -3.237 1.00 47.01 CATOM 12592 C10 OLA X133 14.312 69.468 -2.389 1.00 47.82 CATOM 12594 C11 OLA X133 14.282 70.673 -1.505 1.00 48.44 CATOM 12597 C12 OLA X133 15.303 70.503 -0.410 1.00 48.64 CATOM 12600 C13 OLA X133 15.033 71.599 0.5871.00 49.32 CATOM 12603 C14 OLA X133 14.280 71.054 1.7971.00 49.42 CATOM 12606 C15 OLA X133 14.114 72.152 2.8291.00 49.80 CATOM 12609 C16 OLA X133 13.314 73.287 2.2051.00 50.66 CATOM 12612 C17 OLA X133 13.243 74.467 3.1291.00 50.16 CATOM 12615 C18 OLA X133 12.513 75.570 2.3811.00 49.76 C列2列出了结构中的原子的编号。
列3列出了坐标被测定的元素。该列第一个字母定义了该元素。
列4列出了氨基酸类型。
列5列出了结构中氨基酸的编号。
列6-8分别列出了晶体学坐标X、Y和Z。晶体学坐标定义了所测元素的原子位置。
列9列出了占据因子(occupancy factor)，指分子的百分数，该分子的每一个原子均占据坐标规定的位置。值“1”指示晶体的所有分子中每个原子都具有相同的构象，即，相同的位置。
列10列出了热因子“B”，其测量原子围绕其原子中心的移动。
序列表<110>弗·哈夫曼-拉罗切有限公司(F.Hoffmann-LaRoche AG)<120>氧化鲨烯环化酶的晶体结构<130>Case 21797<160>7<170>PatentIn version 3.1<210>1<211>39<212>DNA<213>Artificial<400>1gtacctttcg aaacaatgac ggagggcacg tgtctgcgg39<210>2<211>29<212>DNA<213>人工序列<400>2gcctctagat caggggtggc cagcaaggg 29<210>3<211>29<212>DNA<213>人工序列<400>3ggctctagat caggggtggc cagcaaggg 29<210>4<211>2235<212>DNA<213>人(Homo sapiens)<400>4atgacggagg gcacgtgtct gcggcgccga gggggcccct acaagaccga gcccgccacc60gacctcggcc gctggcgact caactgcgag aggggccggc agacgtggac ctacctgcag 120gacgagcgcg ccggccgcga gcagaccggc ctggaagcct acgccctggg gctggacacc 180aagaattact ttaaggactt gcccaaagcc cacaccgcct ttgagggggc tctgaacggg 240atgacatttt acgtggggct gcaggctgag gatgggcact ggacgggtga ttatggtggc 300ccacttttcc tcctgccagg cctcctgatc acttgccacg tggcacgcat ccctctgcca 360gccggataca gagaagagat tgtgcggtac ctgcggtcag tgcagctccc tgacggtggc 420tggggcctgc acattgagga taagtccacc gtgtttggga ctgcgctcaa ctatgtgtct 480
ctcagaattc tgggtgttgg gcctgacgat cctgacctgg tacgagcccg gaacattctt 540cacaagaaag gtggtgctgt ggccatcccc tcctggggga agttctggct ggctgtcctg 600aatgtttaca gctgggaagg cctcaatacc ctgttcccag agatgtggct gtttcctgac 660tgggcaccgg cacacccctc cacactctgg tgccactgcc ggcaggtgta cctgcccatg 720agctactgct acgccgttcg gctgagtgcc gcggaagacc cgctggtcca gagcctccgc 780caggagctct atgtggagga cttcgccagc attgactggc tggcgcagag gaacaacgtg 840gcccccgacg agctgtacac gccccacagc tggctgctcc gcgtggtata tgcgctcctc 900aacctgtatg agcaccacca cagtgcccac ctgcggcagc gggccgtgca gaagctgtat 960gaacacattg tggccgacga ccgattcacc aagagcatca gcatcggccc gatctcgaaa1020accatcaaca tgcttgtgcg ctggtatgtg gacgggcccg cctccactgc cttccaggag1080catgtctcca gaatcccgga ctatctctgg atgggccttg acggcatgaa aatgcagggc1140accaacggct cacagatctg ggacaccgca ttcgccatcc aggctctgct tgaggcgggc1200gggcaccaca ggcccgagtt ttcgtcctgc ctgcagaagg ctcatgagtt cctgaggctc1260tcacaggtcc cagataaccc tcccgactac cagaagtact accgccagat gcgcaagggt1320ggcttctcct tcagtacgct ggactgcggc tggatcgttt ctgactgcac ggctgaggcc1380ttgaaggctg tgctgctcct gcaggagaag tgtccccatg tcaccgagca catccccaga1440gaacggctct gcgatgctgt ggctgtgctg ctgaacatga gaaatccaga tggagggttc1500gccacctatg agaccaagcg tggggggcac ttgctggagc tgctgaaccc ctcggaggtc1560ttcggggaca tcatgattga ctacacctat gtggagtgca cctcagccgt gatgcaggcg1620cttaagtatt tccacaagcg tttcccggag cacagggcag cggagatccg ggagaccctc1680acgcagggct tagagttctg tcggcggcag cagagggccg atggctcctg ggaaggctcc1740tggggagttt gcttcaccta cggcacctgg tttggcctgg aggccttcgc ctgtatgggg1800cagacctacc gagatgggac tgcctgtgca gaggtctccc gggcctgtga cttcctgctg1860tcccggcaga tggcagacgg aggctggggg gaggactttg agtcctgcga ggagcggcgt1920tatgtgcaga gtgcccagtc ccagatccat aacacatgct gggccatgat ggggctgatg1980gccgttcggc atcctgacat cgaggcccag gagagaggag tccggtgtct acttgagaaa2040cagctcccca atggcgactg gccgcaggaa aacattgctg gggtcttcaa caagtcctgt2100gccatctcct acacgagcta caggaacatc ttccccatct gggccctcgg ccgcttctcc2160cagctgtacc ctgagagagc ccttgctggc cacccccagc tgtaccctga gagagccctt2220gctggccacc cctga 2235<210>5
<211>732<212>PRT<213>人<400>5Met Thr Glu Gly Thr Cys Leu Arg Arg Arg Gly Gly Pro Tyr Lys Thr1 5 10 15Glu Pro Ala Thr Asp Leu Gly Arg Trp Arg Leu Asn Cys Glu Arg Gly20 25 30Arg Gln Thr Trp Thr Tyr Leu Gln Asp Glu Arg Ala Gly Arg Glu Gln35 40 45Thr Gly Leu Glu Ala Tyr Ala Leu Gly Leu Asp Thr Lys Asn Tyr Phe50 55 60Lys Asp Leu Pro Lys Ala His Thr Ala Phe Glu Gly Ala Leu Asn Gly65 70 75 80Met Thr Phe Tyr Val Gly Leu Gln Ala Glu Asp Gly His Trp Thr Gly85 90 95Asp Tyr Gly Gly Pro Leu Phe Leu Leu Pro Gly Leu Leu Ile Thr Cys100 105 110His Val Ala Arg Ile Pro Leu Pro Ala Gly Tyr Arg Glu Glu Ile Val115 120 125Arg Tyr Leu Arg Ser Val Gln Leu Pro Asp Gly Gly Trp Gly Leu His130 135 140Ile Glu Asp Lys Ser Thr Val Phe Gly Thr Ala Leu Asn Tyr Val Ser145 150 155 160Leu Arg Ile Leu Gly Val Gly Pro Asp Asp Pro Asp Leu Val Arg Ala165 170 175Arg Asn Ile Leu His Lys Lys Gly Gly Ala Val Ala Ile Pro Ser Trp180 185 190Gly Lys Phe Trp Leu Ala Val Leu Asn Val Tyr Ser Trp Glu Gly Leu195 200 205Asn Thr Leu Phe Pro Glu Met Trp Leu Phe Pro Asp Trp Ala Pro Ala210 215 220His Pro Ser Thr Leu Trp Cys His Cys Arg Gln Val Tyr Leu Pro Met225 230 235 240Ser Tyr Cys Tyr Ala Val Arg Leu Ser Ala Ala Glu Asp Pro Leu Val245 250 255Gln Ser Leu Arg Gln Glu Leu Tyr Val Glu Asp Phe Ala Ser Ile Asp260 265 270Trp Leu Ala Gln Arg Asn Asn Val Ala Pro Asp Glu Leu Tyr Thr Pro275 280 285His Ser Trp Leu Leu Arg Val Val Tyr Ala Leu Leu Asn Leu Tyr Glu290 295 300
His His His Ser Ala His Leu Arg Gln Arg Ala Val Gln Lys Leu Tyr305 310 315 320Glu His Ile Val Ala Asp Asp Arg Phe Thr Lys Ser Ile Ser Ile Gly325 330 335Pro Ile Ser Lys Thr Ile Asn Met Leu Val Arg Trp Tyr Val Asp Gly340 345 350Pro Ala Ser Thr Ala Phe Gln Glu His Val Ser Arg Ile Pro Asp Tyr355 360 365Leu Trp Met Gly Leu Asp Gly Met Lys Met Gln Gly Thr Asn Gly Ser370 375 380Gln Ile Trp Asp Thr Ala Phe Ala Ile Gln Ala Leu Leu Glu Ala Gly385 390 395 400Gly His His Arg Pro Glu Phe Ser Ser Cys Leu Gln Lys Ala His Glu405 410 415Phe Leu Arg Leu Ser Gln Val Pro Asp Asn Pro Pro Asp Tyr Gln Lys420 425 430Tyr Tyr Arg Gln Met Arg Lys Gly Gly Phe Ser Phe Ser Thr Leu Asp435 440 445Cys Gly Trp Ile Val Ser Asp Cys Thr Ala Glu Ala Leu Lys Ala Val450 455 460Leu Leu Leu Gln Glu Lys Cys Pro His Val Thr Glu His Ile Pro Arg465 470 475 480Glu Arg Leu Cys Asp Ala Val Ala Val Leu Leu Asn Met Arg Asn Pro485 490 495Asp Gly Gly Phe Ala Thr Tyr Glu Thr Lys Arg Gly Gly His Leu Leu500 505 510Glu Leu Leu Asn Pro Ser Glu Val Phe Gly Asp Ile Met Ile Asp Tyr515 520 525Thr Tyr Val Glu Cys Thr Ser Ala Val Met Gln Ala Leu Lys Tyr Phe530 535 540His Lys Arg Phe Pro Glu His Arg Ala Ala Glu Ile Arg Glu Thr Leu545 550 555 560Thr Gln Gly Leu Glu Phe Cys Arg Arg Gln Gln Arg Ala Asp Gly Ser565 570 575Trp Glu Gly Ser Trp Gly Val Cys Phe Thr Tyr Gly Thr Trp Phe Gly580 585 590Leu Glu Ala Phe Ala Cys Met Gly Gln Thr Tyr Arg Asp Gly Thr Ala595 600 605Cys Ala Glu Val Ser Arg Ala Cys Asp Phe Leu Leu Ser Arg Gln Met610 615 620Ala Asp Gly Gly Trp Gly Glu Asp Phe Glu Ser Cys Glu Glu Arg Arg
625 630 635 640Tyr Val Gln Ser Ala Gln Ser Gln Ile His Asn Thr Cys Trp Ala Met645 650 655Met Gly Leu Met Ala Val Arg His Pro Asp Ile Glu Ala Gln Glu Arg660 665 670Gly Val Arg Cys Leu Leu Glu Lys Gln Leu Pro Asn Gly Asp Trp Pro675 680 685Gln Glu Asn Ile Ala Gly Val Phe Asn Lys Ser Cys Ala Ile Ser Tyr690 695 700Thr Ser Tyr Arg Asn Ile Phe Pro Ile Trp Ala Leu Gly Arg Phe Ser705 710 715 720Gln Leu Tyr Pro Glu Arg Ala Leu Ala Gly His Pro725 730<2l0>6<211>753<212>PRT<213>人<400>6Met Thr Glu Gly Thr Cys Leu Arg Arg Arg Gly Gly Pro Tyr Lys Thr1 5 10 15Glu Pro Ala Thr Asp Leu Gly Arg Trp Arg Leu Asn Cys Glu Arg Gly20 25 30Arg Gln Thr Trp Thr Tyr Leu Gln Asp Glu Arg Ala Gly Arg Glu Gln35 40 45Thr Gly Leu Glu Ala Tyr Ala Leu Gly Leu Asp Thr Lys Asn Tyr Phe50 55 60Lys Asp Leu Pro Lys Ala His Thr Ala Phe Glu Gly Ala Leu Asn Gly65 70 75 80Met Thr Phe Tyr Val Gly Leu Gln Ala Glu Asp Gly His Trp Thr Gly85 90 95Asp Tyr Gly Gly Pro Leu Phe Leu Leu Pro Gly Leu Leu Ile Thr Cys100 105 110His Val Ala Arg Ile Pro Leu Pro Ala Gly Tyr Arg Glu Glu Ile Val115 120 125Arg Tyr Leu Arg Ser Val Gln Leu Pro Asp Gly Gly Trp Gly Leu His130 135 140Ile Glu Asp Lys Ser Thr Val Phe Gly Thr Ala Leu Asn Tyr Val Ser145 150 155 160Leu Arg Ile Leu Gly Val Gly Pro Asp Asp Pro Asp Leu Val Arg Ala165 170 175Arg Asn Ile Leu His Lys Lys Gly Gly Ala Val Ala Ile Pro Ser Trp
180 185 190Gly Lys Phe Trp Leu Ala Val Leu Asn Val Tyr Ser Trp Glu Gly Leu195 200 205Asn Thr Leu Phe Pro Glu Met Trp Leu Phe Pro Asp Trp Ala Pro Ala210 215 220His Pro Ser Thr Leu Trp Cys His Cys Arg Gln Val Tyr Leu Pro Met225 230 235 240Ser Tyr Cys Tyr Ala Val Arg Leu Ser Ala Ala Glu Asp Pro Leu Val245 250 255Gln Ser Leu Arg Gln Glu Leu Tyr Val Glu Asp Phe Ala Ser Ile Asp260 265 270Trp Leu Ala Gln Arg Asn Asn Val Ala Pro Asp Glu Leu Tyr Thr Pro275 280 285His Ser Trp Leu Leu Arg Val Val Tyr Ala Leu Leu Asn Leu Tyr Glu290 295 300His His His Ser Ala His Leu Arg Gln Arg Ala Val Gln Lys Leu Tyr305 310 315 320Glu His Ile Val Ala Asp Asp Arg Phe Thr Lys Ser Ile Ser Ile Gly325 330 335Pro Ile Ser Lys Thr Ile Asn Met Leu Val Arg Trp Tyr Val Asp Gly340 345 350Pro Ala Ser Thr Ala Phe Gln Glu His Val Ser Arg Ile Pro Asp Tyr355 360 365Leu Trp Met Gly Leu Asp Gly Met Lys Met Gln Gly Thr Asn Gly Ser370 375 380Gln Ile Trp Asp Thr Ala Phe Ala Ile Gln Ala Leu Leu Glu Ala Gly385 390 395 400Gly His His Arg Pro Glu Phe Ser Ser Cys Leu Gln Lys Ala His Glu405 410 415Phe Leu Arg Leu Ser Gln Val Pro Asp Asn Pro Pro Asp Tyr Gln Lys420 425 430Tyr Tyr Arg Gln Met Arg Lys Gly Gly Phe Ser Phe Ser Thr Leu Asp435 440 445Cys Gly Trp Ile Val Ser Asp Cys Thr Ala Glu Ala Leu Lys Ala Val450 455 460Leu Leu Leu Gln Glu Lys Cys Pro His Val Thr Glu His Ile Pro Arg465 470 475 480Glu Arg Leu Cys Asp Ala Val Ala Val Leu Leu Asn Met Arg Asn Pro485 490 495Asp Gly Gly Phe Ala Thr Tyr Glu Thr Lys Arg Gly Gly His Leu Leu500 505 510
Glu Leu Leu Asn Pro Ser Glu Val Phe Gly Asp Ile Met Ile Asp Tyr515 520 525Thr Tyr Val Glu Cys Thr Ser Ala Val Met Gln Ala Leu Lys Tyr Phe530 535 540His Lys Arg Phe Pro Glu His Arg Ala Ala Glu Ile Arg Glu Thr Leu545 550 555 560Thr Gln Gly Leu Glu Phe Cys Arg Arg Gln Gln Arg Ala Asp Gly Ser565 570 575Trp Glu Gly Ser Trp Gly Val Cys Phe Thr Tyr Gly Thr Trp Phe Gly580 585 590Leu Glu Ala Phe Ala Cys Met Gly Gln Thr Tyr Arg Asp Gly Thr Ala595 600 605Cys Ala Glu Val Ser Arg Ala Cys Asp Phe Leu Leu Ser Arg Gln Met610 615 620Ala Asp Gly Gly Trp Gly Glu Asp Phe Glu Ser Cys Glu Glu Arg Arg625 630 635 640Tyr Val Gln Ser Ala Gln Ser Gln Ile His Asn Thr Cys Trp Ala Met645 650 655Met Gly Leu Met Ala Val Arg His Pro Asp Ile Glu Ala Gln Glu Arg660 665 670Gly Val Arg Cys Leu Leu Glu Lys Gln Leu Pro Asn Gly Asp Trp Pro675 680 685Gln Glu Asn Ile Ala Gly Val Phe Asn Lys Ser Cys Ala Ile Ser Tyr690 695 700Thr Ser Tyr Arg Asn Ile Phe Pro Ile Trp Ala Leu Gly Arg Phe Ser705 710 715 720Gln Leu Tyr Pro Glu Arg Ala Leu Ala Gly His Leu Glu Gln Lys Leu725 730 735Ile Ser Glu Glu Asp Leu Asn Ser Ala Val Asp His His His His His740 745 750His<210>7<211>10<212>PRT<213>人<400>7Cys Pro His Val Thr Glu His Ile Pro Arg1 5 10
权利要求
1.哺乳动物OSC的晶形。
2.根据权利要求1的晶形，其特征在于具有C2221的空间群和一个OSC单体在不对称单位中。
3.根据权利要求1和2的晶形，其中晶体具有晶胞大小a为186到194_；b为198到206_；c为58到66_；和C2221对称。
4.根据权利要求1到3任一项的晶形，其特征在于表3的原子结构坐标。
5.哺乳动物OSC和结合到其活性位点的配体的共晶形。
6.根据权利要求5的共晶形，其特征在于具有C2221的空间群和一个OSC单体在不对称单位中。
7.根据权利要求6的共晶体，其中共晶体具有晶胞大小a为186到194_；b为198到206_；c为58到66_；和C2221对称。
8.哺乳动物OSC和结合到变构结合位点的配体的共晶体。
9.用于确定哺乳动物OSC的3-D结构的权利要求1到8任一项的晶形或共晶形。
10.一种结晶哺乳动物OSC的方法，该方法包括提供含有浓度为2mg/ml到40mg/ml的单分散哺乳动物OSC的、pH为7.5到9.5的缓冲水性溶液。
11.根据权利要求10的方法，其包括(a)提供含有浓度为2mg/ml到40mg/ml的于β-OG胶束中的哺乳动物OSC的、pH为7.5到9.5的缓冲水性溶液；和(b)用含有2％到25％的有机两亲性小分子和10％到35％的PEG的缓冲沉淀剂溶液生长晶形。
12.根据权利要求10和11任一项的方法，其中步骤(a)中的哺乳动物OSC在巴斯德毕赤酵母中产生。
13.一种共结晶哺乳动物OSC和活性位点配体的方法，该方法包括提供含有浓度为2mg/ml到40mg/ml的单分散哺乳动物OSC的、pH为7.5到9.5的缓冲水性溶液并将活性位点配体加到哺乳动物OSC的水性溶液中。
14.根据权利要求13的方法，其包括(a)提供含有浓度为2mg/ml到40mg/ml的于β-OG胶束中的哺乳动物OSC的、pH为7.5到9.5的缓冲水性溶液；(b)将活性位点配体加到哺乳动物OSC的水性溶液中；和(c)用含有2％到25％的有机两亲性小分子和10％到35％的PEG的缓冲沉淀剂溶液生长共晶形。
15.根据权利要求13和14任一项的方法，其中步骤(a)中的哺乳动物OSC在巴斯德毕赤酵母中产生。
16.通过根据权利要求10到15任一项的方法产生的哺乳动物OSC的晶形或共晶形。
17.以3.5_或更好的分辨率确定哺乳动物OSC晶形的三维结构的方法，该方法包括(a)结晶哺乳动物OSC；和(b)通过X射线衍射分析哺乳动物OSC的晶形以确定哺乳动物OSC晶形的三维结构，由此确定哺乳动物OSC晶形的三维结构达到3.5_或更好的分辨率。
18.一种机器可读数据储存介质，其包括用机器可读数据编码的数据存储材料，当使用以利用所述数据的指令编程的机器时，所述数据显示为包括配体结合活性位点的分子或分子复合物的三维图形，其中，所述分子或分子复合物包含哺乳动物OSC的至少一部分且所述OSC包含SEQ IDNO.5的氨基酸，而所述配体结合活性位点通过一组点定义，该组点与表示表3所列结构坐标所代表的所述氨基酸的α碳主链原子的点有小于约1.5_的均方根差。
19.鉴定与OSC相互作用的化合物的方法，包括步骤(a)用如表3所列的结构坐标产生OSC的三维模型，与所述氨基酸的α碳主链原子的均方根差小于1.5_；和(b)使用所述三维模型设计或选择与OSC相互作用的化合物。
20.根据权利要求19的方法，还包括步骤(c)得到所鉴定的化合物；和(d)将所得化合物与OSC接触以确定化合物对OSC活性的影响。
21.根据权利要求19和20任一项的方法，其中化合物与OSC的活性位点相互作用。
22.根据权利要求19和20任一项的方法，其中化合物与OSC的变构结合位点相互作用。
23.根据权利要求19到22任一项的方法，其中化合物为OSC活性的抑制剂。
24.根据权利要求19到23任一项的方法，其中该方法为计算机辅助方法。
25.通过根据权利要求19到24任一项的方法鉴定的化合物。
26.含有权利要求25的化合物和药学上可接受的载体的药物组合物。
27.权利要求25的化合物在制备药物中的用途，其中，所述药物用于治疗和/或预防包括高胆固醇血症、高血脂、动脉硬化、血管病、真菌病、寄生虫感染和胆石在内的OSC相关疾病，和/或治疗和/或预防受损的葡萄糖耐受、糖尿病、肿瘤和/或过度增生性疾病，优选治疗和/或预防高胆固醇血症和/或高血脂。
28.根据权利要求1到9和16任一项的晶形或共晶形的用途，用于鉴定和/或设计OSC活性抑制剂。
全文摘要
本发明涉及哺乳动物OSC的晶形和从它们得到的晶体结构信息，涉及制备这些晶形的方法以及它们的用途——用于鉴定和/或设计OSC活性抑制剂。本发明的另一个主题是鉴定和/或设计OSC活性的抑制剂化合物的方法、通过这些方法鉴定的OSC活性的抑制剂化合物和它们在药物组合物中的用途，这些药物组合物用于治疗和/或预防与OSC相关的疾病——这些疾病包括高胆固醇血症、高血脂、动脉硬化、血管病、真菌病、寄生虫感染和胆石，和/或治疗和/或预防受损的葡萄糖耐受、糖尿病、肿瘤和/或过度增生性疾病，优选治疗和/或预防高胆固醇血症和/或高血脂。
文档编号C12N9/90GK1609206SQ20041006242
公开日2005年4月27日 申请日期2004年7月7日 优先权日2003年7月7日
发明者A·鲁夫, T·舒尔茨－加施, R·托马 申请人:弗·哈夫曼-拉罗切有限公司