CN101228270A - 人可溶性腺苷酸环化酶的晶体结构 - Google Patents

Abstract

本发明提供solAC催化结构域的晶体结构。所述结构在表1至5中给出。所述结构可用于建立配体例如药用化合物与该蛋白质的相互作用的模型，以及用于确定相关的腺苷酸环化酶分子的结构。

Description

人可溶性腺苷酸环化酶的晶体结构

技术领域

本发明涉及人可溶性腺苷酸环化酶(soluble adenylate cyclase，solAC)的催化结构域、其结晶方法、solAC的晶体及其三维结构、在存在配体的情况下solAC的晶体、及其用途。

背景技术

腺苷酸环化酶

环磷酸腺苷(Cyclic adenosine 3’，5’-monophosphate，cAMP)是一种遍在性第二信使，其调节多种重要的生理学过程，包括基因表达、细胞生长、心脏功能、染色体分离和细胞代谢(Robison，G.A.Butcher，R.W.and Sutherland，E.W.(1968)Annu.Rev.Biochem.37，149-174；Rodbell，M.(1980)Nature，284，17-22)。其通过6种不同家族的酶自ATP合成而来，其中之一是腺苷酸环化酶或腺苷酰环化酶(AC)。尽管这些家族都能够自ATP产生cAMP，但它们之间没有序列相似性。I类存在于肠道细菌中并调节代谢物抑制，而II类存在于病原体如炭疽杆菌(Bacillus anthracis)、铜绿假单胞菌Pseudomonas aeruginosa)和百日咳博得特氏菌(Bordetellapertusis)中。IV、V和VI类分别存在于嗜水气单胞菌(Aeromonashydrohila)、栖瘤胃普雷沃氏菌(Prevotella ruminicola)和艾特利根瘤菌(Rhhizobium etil)。III类环化酶也称为通用类型，是唯一既见于真核细胞也存在于细菌和古细菌中的类型。哺乳动物细胞表达两种不同类型的这些酶：已经被充分表征的跨膜腺苷酸环化酶(tmAC)和最近才发现的可溶性腺苷酸环化酶(solAC)(Shenoy，A.V.and Visweswariah，S.S(2004)FEBS Lett.561，11-21)。

tmAC是质膜结合蛋白质。所有9个被鉴定的tmAC异构体(I-IX)均被激素和神经递质刺激并被G_s蛋白的α亚基活化，且除了IX型以外，均被二萜类福司柯林(forskolin)刺激。通过它们对G_i、G_o和G_zα-亚基以及G_β，γ亚基、PKC和Ca²⁺/钙调蛋白的不同应答可对它们加以区分。正是这种调节多样性使得不同的tmAC在细胞内正确地应答于来自神经递质和激素的细胞间信号。tmAC类具有的共同结构的组成为：一个短的细胞质N-末端，随后为疏水性区域串联重复，其通常为6个跨膜螺旋的形式，以及一细胞浆区域。两个细胞浆结构域分别称为C₁和C₂，它们之间(～50％相同性)以及与tmAC家族的9种不同成员之间(～50-90％相同性)具有很大程度的同源性。酶活性需要C₁和C₂结合形成互补的异二聚体。由于难以纯化到具有活性的蛋白质，在很长的时间内一直不知道这些酶的机制和调节的生物化学特征。一个重要的突破来自于开发了可溶性tmAC系统，其中细胞浆结构域的节段被独立地表达为可溶性重组蛋白。在体外，C₁和C₂均倾向于以头尾界面发生自结合，产生无活性的(C₁)和低活性的(C₂)同二聚体，但当它们混合后产生具有完全活性的、保留其调节特性的异二聚体。因此，C₂同二聚体和C_iC₂异二聚体应答于福司柯林刺激，而C₁同二聚体是无活性的。

可溶性tmAC系统使得能够对酶进行X线晶体研究，由此得知了与牛G_sα形成复合物的大鼠II型C₂同二聚体和犬V型C₁/大鼠II型C₂异二聚体的结构(Zhang，G.Liu，Y.Ruoho，A.E.and Hurley，J.H.(1997)Nature，386，247-253；Tesmer，J.J.G，Sunahara，R.K.Gilman，A.G.and Sprang，S.R.(1997)Science 278，1907-1916；Tesmer，J.J.G，Sunahara，R.K.Johnson，R.A.Gosselin，G.Gilman，A.G.and Sprang，S.R(1999)Science，285，756-760)。

此类系统的构建一直很困难，其中主要的挑战之一是确定C₁和C₂构建体的起始点。尽管该家族之间具有显著的序列同源性，且仅仅基于序列同源性的构建体设计是一个有用的起始点，但要获得对蛋白酶裂解作用具有稳定性的、可溶性的和功能性的蛋白质绝不仅仅是常规的工作(Beeler，J.A.and Tang，W-J.(2004)Methods in Mol.Biol，237，39-53)。

可溶性腺苷酸环化酶：功能、表征和纯化

最早于1975年报道，在来自大鼠睾丸的细胞质级分中存在新的可溶形式的腺苷酸环化酶(“solAC”)。其与tmAC类不同的是，其对Mn²⁺离子存在特异性的需求，且其活性不受黄体生成素(LH)或卵泡刺激素(FSH)的刺激(Braun，T.and Dods，R.F.(1975)Proc.Natl.Acad.Sci.USA，72，1097-1101)。由于Mn²⁺离子能够活化该酶且该酶对G蛋白调节表现出不敏感，这促使Buck及其同事在1999年采用生化方法和色谱方法来表征该酶。他们鉴定了一种可溶性蛋白质，分子量为48kDa，不过以PCR分离的全长solAC基因显示，其读码框编码一种分子量为187KDa的更大的酶。该48kD的具有酶活性的分子被发现位于该全长蛋白质的N端部分内，提示其可能是该蛋白质的蛋白酶裂解片段。PCR和RNase保护分析研究发现了在啮齿类胚系中两种替代性剪接转录物产生所述短的和全长的酶的证据(Jaiswal，B.S.and Conti，M.(2001)J.Biol.Chem.276，31698-31708)。将solAC读码框与其他序列比较发现，该48KDa分子含有两个区域，它们与各种腺苷酸环化酶催化结构域具有显著的氨基酸同源性，而最密切相关的序列是来自蓝细菌(cyanobacteria)(Anabaenaspirulensis的cyaB1、cyaB2和cyaA，以及钝顶螺旋藻(Spirulina platensis)的cyaC)和粘菌(橙色标桩菌(Stigmatella aurantiaca)的cyaA和cyaA)的那些序列(Buck，J.Sinclair，M.L.Schapal，L.Cann，M.J.and Levin，L.R.(1999)Proc.Natl.Acad.Sci.USA，96，79-84)。进一步的分析发现，solAC的催化结构域仅与tmAC的催化结构域C₁和C₂具有15至25％的序列相同性。

逆转录酶PCR证实solAC在绝大多数检测的组织中表达，包括眼睫状突、角膜内皮、脉络丛、肾脏和附睾(Mittag，T.W，Guo，W-B andKobayashi(1993)Am.J.Physiol264，F1060-F1064；Zippin，J.H Levin，L.R.and Buck(2001)Trends Endocrinol Metab，12366-370)。不过，Northern印记分析和原位杂交提示，高度表达仅存在于雄性生殖细胞(Sinclair，M.L.Wang，X-Y，Matia，M.Conti，M.Buck，J.Wolgemuth，D.J.and Levin，L.R.(2000)Mol.Reprod.Dev.56，6-11)。已经证实，solAC不仅是一种可溶性酶，还特异性定向于细胞器，包括线粒体、中心体、有丝分裂纺锤体、中间体和细胞核，因此认为其与cAMP信号传导的效应物关系密切(Zippin，J.H.Chen，Y.Nahirney，P.Kamenetsky，M.Wuttke，M.S.Fishman，D.A.Levin，L.R and Buck，J.(2003)Faseb Journal，17，82-84；Litvin，T.N.Kamenetsky，M，Zarifyan，A.Buck，J.and Levin L.R.(2003)J.Biol.Chem.278，15922-15926)。

可溶性AC受到Ca²⁺和HCO₃ ^-的调节，提示通过这些细胞内信号分子的调变导致solAC介导针对细胞内在事件的cAMP依赖性应答。作为迄今在哺乳动物中鉴定到的唯一一种作为碳酸氢根/二氧化碳化学感受器的酶，solAC被认为不仅在精子获能超活化运动性和顶体反应中，也在肾脏液体重吸收、睫状体和脉络丛的液体分泌、以及应答于营养信号的代谢调节中发挥关键作用(Litvin，T.N.Kamenetsky，M，Zarifyan，A.Buck，J.and Levin L.R.(2003)J.Biol.Chem.278，15922-15926)。

阐明一种蛋白质的结构需要有足量的纯化蛋白质的来源以便能够产生晶体。许多蛋白质，既便是在重组生产系统中表达时，也很难以可溶性、具有活性且非聚集蛋白质的形式得以纯化。

多种不同的细菌腺苷酸环化酶已经以可溶性形式在大肠杆菌中表达。具体而言，细菌腺苷酸环化酶鱼腥藻属(Anabaena)cyaB、分枝杆菌Rv1264和标桩菌属(Stigmatella)cyaB已经以可溶性形式表达于大肠杆菌(Cann et al.(2003)，J.Biol.Chem，278，35033-35038；Kanacher et.Al.(2002)EMBO J.21，-3672-3 680；Linder et al.(2002)J.Biol.Chem，277，15271-15276)。

大肠杆菌已经被用于表达布鲁斯锥虫(Trypanosoma brucei)腺苷酸环化酶，形式为包涵体(Bieger，B.and Essen，L-O.(2000)Acta Cryst.D56，359-362)。

大肠杆菌也被用于表达N端以His标记的大鼠跨膜腺苷酸环化酶的C2结构域。所述蛋白质以可溶性形式表达(Yan，S-Z et al.(1996)J.Biol.Chem，271，10941-10945)。

Sunahara，R.K等还以N端His标记的融合蛋白的形式表达了犬的V型腺苷酸环化酶C1结构域((1997)J.Biol.Chem.272，22265-22271)。

阐明solAC的机制和生物化学特性的障碍在于难以获得足量的纯度足够高的材料。表达和收集以上提及的其他形式的腺苷酸环化酶的条件均各不相同，提示不同形式的腺苷酸环化酶需要精确而不同的条件才能产生显著量的蛋白质。

在重组表达之前，一种纯化solAC的方法需要处理数百个大鼠的睾丸(950)才能获得足够的蛋白质(～3μg)用于研究该酶的性质(Buck，J.Sinclair，M.L.and Levin，L.R.(2003)Methods in Enzymol.345，95-105)。纯化过程涉及多个步骤，起始于细胞裂解物，其包括20mM Tris-HCl，pH7.5，1mM DTT和蛋白酶抑制剂。经过6个不同的柱纯化后，该酶的浓缩级分被加到HPLC柱上，并以20mM Tris-HCl，pH6.8，1mM DTT洗脱，洗脱梯度为0-0.1M NaCl。曾认为降低pH—这是在这一时期首次进行的—引起了显著的富集(约60倍)活性增强。回收的solAC蛋白质的最终产量为大约3μg，不过其中包括一种62KDa的无关的污染蛋白质，因此，这种制备方法即使扩大规模仍然不太可能适合于产生晶体。

也已经在HEK293细胞中表达了重组的全长和催化结构域大鼠solAC。这些构建体被用于确定由所述两种替代性转录物编码的酶的特性以及它们彼此之间的相对活性和与来源于组织的等价物之间的相对活性。通过离心使重组细胞裂解物澄清，随后上样于Sephacryl S-200柱。尽管没有报道产量，但它们足以确认所述重组物在活性、大小和免疫反应性方面与表达于睾丸的solAC是相当的(Jaiswal，B.S.and Conti，M.(2001)J.Biol.Chem.276，31698-31708)。

重组表达方法允许对表达的蛋白质进行标记以便于回收。Litvin等((2003)J.Biol.Chem.278，15922-15926)公开了在杆状病毒Hi5细胞中产生具有GST标记的重组人solAC催化结构域。将产生所述蛋白质的细胞裂解于PBS，pH7.4，1mM EDTA，1mM DTT和蛋白酶抑制剂混合物中。将裂解物上样于谷胱甘肽琼脂糖4B柱，并以50mM Tris HCl pH8.0、10mM还原型谷胱甘肽、10μg/ml抑肽酶和10ug/ml亮抑蛋白酶肽洗脱。将裂解物上样于Superdex 200HR 10/30柱，并将样品储存于50％甘油中。终样品含有额外的GST带，感兴趣的蛋白质没有自标记物裂解下来。作者没有指明产量，尽管它们足以用于酶学研究，但产量似乎很低。

另一种标记物是6组氨酸标记物，Chen等((2000)Science 289，625-628)使用其表达solAC催化结构域(氨基酸1至469位)。该标记物被融合于C端。使用Bac-to-Bac^TM杆状病毒Expression System(LifeTechnologies)将所述蛋白质异源性表达于昆虫HiFive细胞，并在Ni2+-NTA琼脂糖树脂(Qiagen)上通过层析纯化蛋白质。没有公开条件和蛋白质的产量，但其量足以确定碳酸氢根对重组酶活性的影响不是由于pH的影响。他们还发现亚硫酸氢根离子能够模拟solAC碳酸氢根的刺激，而氯化物或硫酸根或磷酸根则不能。

尽管对solAC已经有了这些以往的研究，但纯的重组哺乳动物蛋白质的终产量仍然很低，因此无法进行结构研究。

SolAC同源物结构

已经报道了在存在或不存在HCO₃ ^-时与ATP类似物、Mg²⁺或Ca²⁺相复合的来自钝顶螺旋藻的solAC同源物CyaC一系列结构。他们发现钙离子占据了第一个金属结合位点，且似乎介导核苷酸在该活性位点的开放构象中的结合。碳酸氢根的存在引起该活性位点关闭，尽管其也募集了一第二金属离子。底物类似物的磷酸根基团在该活性位点内重排它们的构象，这可能有助于产物的形成和释放。由于该酶的apo形式还没有解决，有可能该酶还存在其他的构象，且有可能那些观察到的构象代表了反应途径中俘获的分子(Steegborn，C.Litvin，T.Levin，L.R.Buck，J.and Wu，H.(2005)Nat.Struc.And Mol.Biol.12，32-37，Tesmer，J.J.G(2005)Nat.Struc.And Mol.Biol.12，7-8)。

SolAC和雄性避孕

细胞cAMP浓度的改变已经被认为与精子对受孕过程的调节有关，特别是与成熟、获能、运动性以及与配子的融合有关。尽管这些事件是相关的，但对其中潜在的机制所知甚少。为确定不同腺苷酸环化酶在调变这些过程中的具体作用，对精子的研究提示，solAC即使不是起着关键作用，也是起着重要的作用(de Lamirande，E.LeClerc，P.and Gagnon，C.(1 997)Mol.Hum.Reprod.3，175-194；Jaiswal，B.J.and Conti，M.(2003)Proc.Natl.Acad.Sci.USA，100，10676-1 068 1；Xie，F.and Conti，M.(2004)Developmental Biol.265，196-206；Chen，Y.Cann，M.J.Litvin，T.N.Iourgenko，V.Sinclair，M.L.Levin，L.R.and Buck，J.(2000)Science 289，625-628)。solAC在受孕中的作用的明确证据来自于在小鼠中破坏solAC基因导致精子活动力严重受损而造成其不育这一情况。SolAC缺陷型雄性动物的睾丸和附睾的发育正常，且其他已知表达solAC的器官未显示明显的异常。雌性solAC缺陷型小鼠不出现表型，并产生正常大小的幼仔，幼仔是野生型的或者是杂合子小鼠。SolAC缺陷型雄性可正常交配，但由于精子缺乏前向运动而不能生育。对突变精子的体外研究发现，给精子加载cAMP可使之恢复正常活动力，不过突变的精子还是不能使卵母细胞受孕(Esposito，G.Jaiswal，B.S.Xie，F.Krajnc-Franken，M.A.M.Robben，T.J.A.A，Strik，A.M.Kuil，C，Philipsen，R.L.A.van Duin，M.Conti，M.and Gossen，J.A.(2004)Proc.Natl.Acad.Sci.USA，101，2993-2998)。

尽管solAC在受孕中起着关键的作用，但有证据表明一些tmAC也可能参与这一过程。完好的小鼠精子的免疫定位化显示顶体区域和鞭毛区域富含tmAC II、III和VIII，而tmAC I和IV以较低的程度存在于中段和顶体。由于IVF基质中的一些成分已知可通过G-蛋白偶联的受体起作用，因此很可能它们的作用是通过tmAC而调变的(Baxendale，R.W.and Fraser，L(2003)Mol.Reprod.and Dev.66，181-189)。

solAC、肿瘤学、炎症和其他过程

cAMP参与影响细胞增殖、细胞分化和细胞凋亡的信号转导途径。已知这些途径的异常可导致一些病理情况例如癌症。可以提及的多种癌症包括下文G(vii)节所列出的那些。因此，可以将通过升高或降低solAC的活性而调变cAMP的浓度视为一种治疗性或预防性杠杆。

最近的研究提示solAC通过cAMP依赖性的鸟苷三磷酸酶类Rap-1的调变而参与TNF诱导的中性粒细胞活化和NGF介导的神经突发生(neuritogenesis)(Han，H.Stessin，A.M.Roberts，J.Hess，K.C.Gautam，N.Kamenetsky，M.Lou，O.Hyde，E.Nathan，N.Muller，W.A.Buck，J.Levin，L.R.and Nathan，C.(2005)J.Exp.Med.202，353-361；Stessin，A.M.Zippin，J.H.Kamenetsky，M.Hess，K.C.Buck，J.and Levin，L.R.(2006).J.Biol.Chem.10，1074)。因此，通过活化或者抑制solAC而对这些过程进行下游调节可能具有治疗用途。

TNF的过量产生或者不受调节的产生被认为介导或者加重了多种炎症性疾病和病症，包括类风湿性关节炎(Maini et al.APMIS，105(4)：257-263)、类风湿性脊柱炎、骨关节炎、痛风性关节炎及其他关节炎病症；败血症、感染性休克、内毒素性休克、革兰氏阴性败血症、中毒性休克综合征、成人呼吸窘迫综合征、脑型疟疾、慢性肺部炎症性疾病、慢性阻塞性肺疾病(COPD)、急性呼吸窘迫综合征(ARDS)、哮喘、肺纤维化和细菌性肺炎、矽肺、肺结节病、骨重吸收疾病、再灌注损伤、移植物抗宿主反应、同种异体移植排异反应、感染引起的发热和肌痛感染(例如流感)引起的发热和肌痛、1型单纯疱疹病毒(HSV-1)、HSV-2、巨细胞病毒(CMV)、水痘带状疱疹病毒(VZV)、Epstein-Barr病毒(EBV)、人类疱疹病毒-6(HHV-6)、HHV-7、HHV-8、假性狂犬病、鼻气管炎和继发于感染或恶性疾病的恶病质、继发于获得性免疫缺陷综合征(AIDS)的恶病质、AIDS、ARC(AIDS相关症候群)、疤痕形成、疤痕组织形成、Crohn氏病、溃疡性结肠炎、或pyresis。由于solAC抑制剂抑制TNF所引起的效应，因此可以预见solAC抑制剂可用于治疗上述列举的疾病。

还已知cAMP刺激房水形成(青光眼)和自胰腺的胰岛分泌胰岛素(糖尿病)。这两个过程均受到碳酸氢根浓度的调节，这将它们与solAC直接联系起来。

蛋白质结晶化

蛋白质化学领域已知，使蛋白质形成结晶是一个不确定的和困难的过程，是否会成功是无法预料的。显然，蛋白质结晶化是目前确定蛋白质结构的主要障碍。为此，蛋白质结晶化本身已经成为一个研究学科，而非仅仅是蛋白质晶体实验室的延伸。许多文献均描述了与产生蛋白质晶体有关的困难(Kierzek AM.and Zielenkiewicz P.(2001)BiophysicalChemistry，91，1-20 Models of protein crystal growth；Wiencek JM(1999)Annu Rev Biomed Eng.1，505-534 New Strategies for crystal growth；Service，R.Science(2002)Nov 1；298，948-50 Structural genomics.Tapping DNA for structures produces a trickle；Chayen N.J Struct FunctGenomics(2003)4(2-3)115-20 Protein crystallization for genomics：throughput versus output)。

Wiencek强调需要合理的方法学和方案以产生适合用于确定蛋白质结构的单一的、高质量的蛋白质晶体，并提及缺乏蛋白质结晶化的基本方法，而蛋白质结晶化对于确定结构而言通常是关键步骤。对于合理的方法的需求，讨论了影响蛋白质溶解度、成核作用和晶体生长的各种变量，包括温度、压力、pH、电解质、反抽提溶剂(antisolvents)和可溶性合成聚合物对蛋白质溶解度的影响。还描述了多种物理化学技术(包括激光散射、X-线散射和X-线衍射以及原子力显微镜检查)及其在研究晶体生长和成核作用速度中的用途，以及多种晶体生长技术，例如蒸汽扩散(vapour diffusion)、自由界面扩散、透析、批生长(batch growth)和引晶(seeding)等技术。还讨论了测量蛋白质晶体质量及其影响因素。Wiencek的结论是，蛋白质结晶化仍有很多方面是不清楚的，而我们在理解蛋白质结晶化方面的重大进展将会对基于蛋白质结晶学本身的各方面应用产生显著的影响，这是因为结构生物学很大程度上取决于对蛋白质分子进行结晶的能力。

类似地，Kierzek等也承认，产生大而高度有序的蛋白质晶体仍然是通过X线结晶学来确定蛋白质结构的主要障碍，这是因为对于蛋白质结晶化的物理化学方面还不了解。他们对形成用于解释迄今收集到的有关蛋白质晶体生长的实验数据的模型的各种尝试进行了综述，但却指出还没有任何令人满意的蛋白质结晶化的模型，其原因在于该问题极为复杂，结晶化过程在时间和大小尺度上均横跨多个数量级的范围，这对于绝大多数计算机模拟方法来说是难以做到的。Kierzek等的结论是，对当前晶体生长领域中正在测试的范围广泛的各种方法进行某种整合有赖于实验方法和理论方法方面都有进一步的进展。

Service(ibid)讨论了与蛋白质结晶化和结构确定相关的问题。其给出的实例之一是美国的一个探索性课题，该课题的目的是通过对蛋白质结晶化中涉及的大量步骤进行自动化而加快确定结构的过程。据记载，这一课题在其过程的各个阶段均遭遇各种困难：在经鉴定用于确定结构的1870种蛋白质靶中，仅仅产生了23个完整的蛋白质结构。Service称其他课题的结果与此相近，因此在全世界范围内的各种结构基因组学课题所研究的大约18,000种蛋白质中，仅获得了大约200蛋白质的结构。该文章于是给出了结构确定过程中一些不同的点，所有这些点均引起一些问题。起始点，即诱使大肠杆菌和其他宿主细胞以表达正确的蛋白质并使它们成为可溶形式，被认为是最大的问题的之一。然后讨论了与使得蛋白质形成适合用于X线研究的晶体有关的持续存在的问题：结晶化以及随后晶体的最佳化被认为是这个过程中的主要困难。实际上，该文章称每一个步骤的损失均很严重。即使能够得到晶体，还需要解决晶体的结构，而这并不是一个常规的过程，也无法预期其是否会成功。NISGC联盟的文章对此进行了阐述。与用于结晶化和结构确定的大量靶蛋白相比，被克隆并随后以可溶性蛋白质的形式被表达的数目实际上很低。并不总是能够进行进一步纯化，且既便是在纯化后，所纯化的蛋白质也只有一小部分被结晶化。即使如此，仅仅一部分这些蛋白质结晶化产生适合用于通过X线结晶学进行蛋白质结构确定单一的、高质量的蛋白质晶体。在5187种靶蛋白中，联盟成员克隆了其中的1675种，并将1295种表达为蛋白质，而其中只有773种是可溶性的。其中被纯化的蛋白质为719种，但被结晶化的仅有94种。他们目前已经确定了50种的结构，其中仅有22种是通过X线分析确定的。

Chayen(ibid)的图1给出了相似的图示。Chayen将其注意力放在结构基因组学所涉及的众多步骤中的结晶化步骤上，并讨论了产生用于通过X线结晶学进行结构确定的高质量蛋白质晶体的困难。这种困难造成在所产生的蛋白质中目前仅有一小部分进行了结构确定这一事实。

通常认为蛋白质分子在溶液中的结晶化是确定蛋白质结构过程的障碍，其中的原因很多：蛋白质是复杂的分子，而其与溶液中的其他蛋白质分子以及小分子的特异性和非特异性相互作用的微妙平衡是难以预测的。

每种蛋白质均在一组独特的条件下发生结晶，而这是难以事先预测的。简单地使得蛋白质过饱和以便将其自溶液中分离的方法是行不通的，在绝大多数情况下，这样做得到的是无定型沉淀物。目前使用的沉淀剂有很多，一般是不同的盐、以及聚乙二醇，但其他的也是已知的。此外，还可加入例如金属和去垢剂等添加剂以调变溶液中的蛋白质的行为。已知有多种试剂盒，如来自Hampton Research的那些，它们试图尽可能多地覆盖结晶化领域的各种参数，不过在大多数情况下它们仅仅是用于优化结晶的沉淀物和晶体的起始点，并不适合于衍射分析。有关溶解性、为实现正确的折叠或活性而对金属离子的依赖性、与其他分子的相互作用以及其他已知信息等蛋白质行为的知识有助于实现成功的结晶化。既便如此，蛋白质的结晶化通常仍然被认为是一个耗时的过程，其中下一步的实验要建立在以往的尝试所获得的结果上。

在获得了蛋白质晶体的情况下，它们也不一定总是适合用于衍射分析：它们的分辨率(resolution)可能有限，而且随后可能难以对其进行改进以使其达到按分析所需的分辨率发生衍射的程度。造成晶体内分辨率有限的因素有多种。可以是因为晶体内部蛋白质固有的运动，即使形成其他的晶体，这一问题也是很难克服的。也可以是因为晶体内溶剂含量太高，结果导致弱的散射。或者，也可能是因为晶格内部的缺陷，这意味着衍射的X线在晶格内部的单元至单元之间不能完全同相。这些问题中的任何一个或它们的组合均意味着晶体并不适合用于结构确定。

一些蛋白质从未结晶化，在进行了合理的尝试之后，有必要检查蛋白质本身，并考虑是否可以制备各个结构域、不同的N或C端截短形式、或点突变。通常很难预测如何以此方式对蛋白质进行再遗传工程化以改善其结晶化能力。有时，在结晶化混合物中加入配体对于产生合适的晶体十分关键。我们对结晶化机制的理解仍然是不完善的，而且参与结晶化过程的蛋白质结构的因素还不很清楚。

发明内容

本发明涉及人可溶性腺苷酸环化酶催化结构域的晶体结构，其使得能够对底物和辅因子在酶中的结合位置进行研究和确定。

因此，在一个方面，本发明提供表1所示的可溶性腺苷酸环化酶的三维apo(即无配体形式的)结构及其用途。

在第二个方面，本发明提供表2以及表3、4和5所示的在存在配体情况下可溶性腺苷酸环化酶的三维结构。

在广泛的方面，本发明提供solAC的结构及其在对配体与所述solAC结构的相互作用进行建模中的用途，所述配体例如为潜在的已有的药用化合物或其他分子结构、前体药物、solAC调变剂或底物、或此类化合物、调变剂或底物的片段。

以下将讨论这些和其他方面以及本发明的实施方式。

本发明的上述方面，无论是单独地还是组合地，均构成本发明的优势特征。

附图说明

图1显示了三种化合物，它们均结合solAC。该图显示了表3-5所用的源自变好系统。

图2显示了碳酸氢根与solAC的三个残基的结合相互作用。

表格说明

表1给出了solAC的结构的坐标数据。

表2给出了与AMPCPP形成复合物的solAC的结构的坐标数据。

表3给出了与碳酸氢根形成复合物的solAC的结构的坐标数据。

表4给出了与5-苯基-2H-[1，2，4]三唑-3-巯基(化合物1)形成复合物的solAC的结构的坐标数据。

表5给出了与N-(3-苯氧基-苯基)-草酰酸形成复合物的solAC的结构的坐标数据。

表6：solAC的活性位点残基。

表7：solAC的与腺苷部分相互作用的活性位点残基。

表8：solAC的碳酸氢根结合位点。

表9：solAC的通道(Channel)结合位点。

表10：solAC的亚袋结合位点(Sub-pocket binding site)。

表11：替代性solAC结合位点残基。

表12：哺乳动物可溶性腺苷酸环化酶的完整序列之间的百分比相同性。

表13：哺乳动物可溶性腺苷酸环化酶的催化结构域之间的百分比相同性。

表14：solAC表达构建体。

表15：solAC裂解缓冲液。

表16：用于解析solAC结构的重原子衍生物。

发明详述

定义

选定的坐标

在此所述的本发明的各个方面(如配体适配、同源性建模和结构解析、数据存储装置、计算机辅助操作坐标等等)均使用了表1、表2、表3、表4或表5给出的solAC结构坐标、或衍生自表1、表2、表3、表4或表5的solAC结构坐标、或参照表1、表2、表3、表4或表5的坐标而得到的solAC结构坐标。在本发明的所有方面，本领域人员能够理解的是，在本发明的许多应用中，不一定需要使用表1、表2、表3、表4或表5中的所有坐标，而是仅使用他们的一部分，例如代表与特定用途有关的特别感兴趣的原子的一组坐标。这样的一部分坐标被称为“选定的坐标”。

在提及本发明的选定的坐标时，其是指例如所述solAC结构的至少5个、优选地至少10个、更优选地至少50个、以及甚至更优选地至少100个、例如至少500个或者至少1000个蛋白质原子。优选地所述选定的坐标涉及至少30个不同的氨基酸残基(即可以存在来自30个不同残基的至少一种原子)、更优选地涉及至少60个残基、且甚至更优选地涉及至少100个或150个残基。任选地，所述选定的坐标包括表1、表2、表3、表4或表5所示的一或多个配体或水分子的原子。

腺苷酸环化酶总体而言具有一种双结构域结构，这两个结构域彼此具有相当程度的结构同源性，并类似于一种假二聚体。可溶性腺苷酸环化酶与蓝细菌的III型腺苷酸环化酶关系最密切，后者以对称同二聚体的形式发挥功能。所述同二聚体中的2个单体，或者所述假二聚体中的2个结构域，彼此可具有不同的方向，这取决于它们的活性中心的成分。因此，选定的坐标可以仅仅是N端结构域(残基1-246)的那些坐标或者仅仅是C端结构域(残基247-468)的那些坐标。

另一方面，选定的坐标可以包括一或多个氨基酸残基的原子或由其组成，所述原子是我们已经鉴定为构成如下文所述的solAC活性位点的主链或侧链原子，且特别是表6中的那些(更特别地是表7中的那些)。

在优选的实施方式中，当选定的坐标包括来自表6中所鉴定的残基组、且更优选地来自表7中所鉴定的残基组的至少一种原子时，所述选定的坐标包括来自这些优选组的至少2个、例如至少3个、更优选地至少4个、甚至更优选地至少5个、且最优选地所有氨基酸的至少一种原子。更优选地，所述选定的坐标包含来自这些残基组的至少10个、更优选地25个、更优选地50个原子，其中至少一种原子来自所述组的每一成员。

在另一方面，选定的坐标可以包括在表8、9、10、或11中所示的一或多个氨基酸残基的原子或者由其组成。在另一个实施方式中，当选定的坐标包括来自表8、9、10、或11中所鉴定的残基组的至少一种原子时，所述选定的坐标包括来自各表的至少2个、例如至少3个、更优选地至少4个、甚至更优选地至少5个、且最优选地所有氨基酸的至少一种原子。更优选地，选定的坐标包括来自这些残基组的至少10个、更优选地25个、更优选地50个原子，其中至少一种原子来自这些表格中的任一表格所示的组的各个成员。

或者，选定的坐标可以包括来自表6至11中的任一或者全体的至少10个、更优选地25个、更优选地50个原子，例如至少100个原子。

在一个方面，选定的坐标可包括选自表6的氨基酸残基(例如表7的残基)的一或多个坐标和选自表8、9、10、或11的氨基酸残基的一或多个坐标。在一个方面，选定的坐标至少来自表6(优选地表7)和表8。这些选定的坐标组在设计、开发和分析那些占据ATP和碳酸氢根结合位点的配体中可能特别具有优势。

在另一方面，表8的优选残基亚组是Lys95、Val167和Arg176。在此所述的本发明涉及表8残基的氨基酸坐标的用途的方面中，也预期了来自这一亚组残基的坐标的用途。此外，还预期了被鉴定为具有特异性配体相互作用的原子的坐标的用途(表1的原子1525，2585，2600，2729；表2的1525，2588，2603和2732；表3的937，1505，1508和1578；表4的1516，2678，2692和2821；表5的1516，2670，2684和2813)。

在另一方面，表9的优选残基亚组是His164、Phe165和Val 335。在此所述的本发明涉及表9残基的氨基酸坐标的用途的方面中，也预期了来自这一亚组残基的坐标的用途。此外，还预期了被鉴定为具有特异性配体相互作用的原子的坐标的用途(表1的原子2536，2546，2565和5295；表2的原子2539，2549，2568和5298；表3的原子1482，1486，1489和2866；表4的原子2628，2639，2657和5413；表5的原子2620，2631，2649和5392)。

在又一方面，选定的坐标可包括solAC的额外的部分螺旋结构域的一或多个氨基酸残基的原子或者由其组成，与tmAC相比，该结构域似乎是solAC所独有的。因此选定的坐标可包括残基Met1至Tyr26或Lys219至Gly284的至少一种原子。优选地，选定的坐标包括残基Ile13至His19、Phe226至Phe236、Asp258至Tyr268或Glu271至Ile277的至少一种原子。在这种情况中，更优选地，选定的坐标包括来自这些优选坐标的至少2个、例如至少3个、更优选地至少4个、甚至更优选地至少5个、例如至少10个以及最优选地所有氨基酸的至少一种原子。更优选地，选定的坐标包括来自这一组残基的至少10个、更优选地25个、更优选地50个原子，其中所述原子来自不同氨基酸的前述优选值。

选定的坐标优选地包括至少大约5％、更优选地至少大约10％的Cα原子。或者，或额外地，选定的坐标包括至少大约10％、更优选地至少大约20％、甚至更优选地至少大约30％的选自氮原子、Cα原子、C端氧原子和羰基氧原子的任意组合的主链原子。

因此，下文所有提及“选定的坐标”之处，除非明确另外指出，均应按照如上所述进行理解。

均方根差(rmsd)

蛋白质结构相似性常规使用均方根差(rmsd)来表示和测量，其测量的是两组原子之间空间定位的差异。均方根差测量的是最佳重叠之后等价的原子之间的距离。均方根差可基于所有原子、基于残基主链原子(即蛋白质氨基酸残基的氮-碳-碳主链原子)、仅基于主链原子(即蛋白质氨基酸残基的氮-碳-氧-碳主链原子)、仅基于基因侧链原子、或者更加常见的是仅基于Cα原子来计算。

比较蛋白质结构的方法可参见Methods of Enzymology，vol 115，pg397-420。Rossman和Argos给出了计算均方根差的必要的最小二乘法代数(J.Biol.Chem.vol 250，pp7525(1975))，不过现在已经有了更快的方法，见Kabsch(Acta Crystallogr.Section A，A92，922(1976))；Acta Cryst.A34，827-828(1978))，Hendrickson(Acta Crystallogr.Section A，A35，158(1979))；McLachan(J.Mol.Biol.vol 128，pp49(1979))和Kearsley(ActaCrystallogr.Section A，A45，208(1989))。一些算法使用的是一种重复运算，其中将一个分子相对于其他分子进行移动，例如参见Ferro和Hermans(Ferro and Hermans，Acta Crystallographic，A33，345-347(1977))。其他方法则直接定位最佳适配，例如Kabsch的算法。

用于确定均方根差的程序包括MNYFIT(其是一种称为COMPOSER的程序集合的一部分，Sutcliffe，M.J.Haneef，I.Carney，D.and Blundell，T.L.(1987)Protein Engineering，1，377-384)、MAPS(Lu，G.An Approachfor Multiple Alignment of Protein Structures(1998，in manuscript and onhttp://bioinfo 1.mbfys.lu.se/TOP/maps.html))。

当比较明显不同的坐标组时，更常见的是仅基于Cα原子计算均方根差值。但是，在分析侧链运动时，也可基于所有原子计算均方根差。

例如LSQKAB(Collaborative Computational Project 4.The CCP4 Suite：Programs for Protein Crystallography，Acta Crystallographica，D50，(1994)，760-763)、QUANTA(Jones et al.Acta Crystallography A47(1991)，110-119，并可购自Accelrys，San Diego，CA)、Insight(可购自Accelrys，SanDiego，CA)、Sybyl_(可购自Tripos，Inc.St Louis)、O(Jones et al.ActaCrystallographica，A47，(1991)，110-119)等程序以及其他一些坐标适配程序也可用于计算均方根差值。

在例如LSQKAB和O程序中，用户可定义为进行计算而配对的两种蛋白质的残基。或者，可通过产生两种蛋白质的序列比对而确定残基的配对，序列比对的程序详见D节。然后根据这一比对和计算的均方根差值可重叠原子坐标。程序Sequoia(C.M.Bruns，I.Hubatsch，M.Ridderstr_m，B.Mannervik，and J.A.Tainer(1999)Human GlutathioneTransferase A4-4 Crystal Structures and Mutagenesis Reveal the Basis ofHigh Catalytic Efficiency with Toxic Lipid Peroxidation Products，Journal ofMolecular Biology 288(3)：427-439)进行同源性蛋白质序列的比对并重叠同源性蛋白质原子坐标。比对之后可采用上述的程序计算均方根差。对应相同或者高度相同的序列，可采用人工方法或者如上所述的自动方法进行蛋白质结构比对。另一种方法可以不必考虑序列而产生蛋白质原子坐标重叠。

在此所述的本发明的各个方面公开了表1、表2、表3、表4或表5中所有的或选定的坐标。类似地也公开了使用表1、表2、表3、表4或表5中所有的或选定的坐标而得到的结构及其用途，或者衍生自表1、表2、表3、表4或表5中所有的或选定的坐标的结构及其用途。在这些方面，表中的坐标可以变化，但均方根差不超过1.5_、优选地不超过1.4_、更优选地不超过1.2_、更优选地不超过1.0_、例如优选地不超过0.7_、更优选地不超过0.5_、更优选地不超过0.2_、甚至更优选地不超过0.1_。

因此，除非另有指明，否则本文中所有对表1、表2、表3、表4或表5的坐标的引用均应被理解为包括不超过1.5_的均方根差变化，且变化的优选值已经在前面一段中给出。类似地，引用数值小于不超过1.5_的均方根差变化同样应该理解为包括前面句子中给出的优选的、更窄的界限。为了避免歧义，在此对小于所述不超过1.5_的具体_数值以下的均方根差值的引用，应该被理解为包括不超过所述具体数值的上述优选的、更窄的界限。

优选地，参照Cα原子计算均方根差，条件是在使用选定的坐标的情况下，它们包括至少大约5％、优选地至少大约10％的此类原子。如果选定的坐标不包括所述至少大约5％，可参照所有4种主链原子计算均方根差，条件是它们包括至少大约10％、优选地至少大约20％、且更加优选地至少大约30％的所述选定的坐标。如果选定的坐标包括90％或更多的侧链原子，可以参照所有选定的坐标计算均方根差。

配体

在此，配体是一种虚拟的或者物理的结构，包括一或多个原子，能够结合或者相互作用于本发明的solAC结构。此类原子包括有机分子中的那些原子，例如碳、氧、氢、氮、磷和硫，以及常见于生物学系统的金属离子，例如铁、钙、镁、锰、硒等等。

用于本发明的配体可以是小的化学分子，它们的三维结构是现有技术中已知的，例如见于Cambridge Structural Database(www.ccdc.cam.ac.uk)，其中有超过250,000种分子的结构，或者可以是基于特定的结构或其他标准已经设计或者选定其结构的配体。这些以及其他结构可用于例如目的在于筛选配体本发明的多个方面，用于开发与solAC相互作用的新的化合物，以调变例如活化或抑制其功能。对本领域人员显而易见的是，尽管虚拟分子形式的配体可以做到与本发明的solAC结构的一或多个蛋白质原子相互作用，但这种相互作用在物理化合物本身与solAC之间可能并不发生。

与solAC的催化结构域的一或多个原子结合或相互作用的配体特别有价值。配体可以是酶或者所述酶的底物的调变剂(如活化剂或抑制剂)。一种这样的底物可以是前体药物，通过腺苷酸环化酶的作用可将其转化为活性药物。配体结合通常通过非共价相互作用(但不排除其他方式)，例如通过氢键或类似方式。

对本领域人员显而易见的是，在基于计算机的分析方法或类似方法的情况中提及配体时，其指的是虚拟的分子结构，而在其他情况中(例如浸渗(soaking)solAC晶体等等)，配体是化合物。在本发明的一些方面中，通过计算机建模技术鉴定配体，然后再以化合物的形式提供，用于进一步分析。对化合物的分析，例如通过浸渗实验或共结晶化实验，通常会导致产生更多的配体，然后可通过本发明的基于计算机的方法对它们进行分析。

可自多种来源获得用于浸渗或共结晶化的候选配体。例如，可使用作为潜在的腺苷酸环化酶抑制剂而开发的化合物，以便证实其与solAC的相互作用，并由此改进配体以增强或者调变其活性。此类配体可包括下文会提到的腺嘌呤核苷酸类似物。

或者，许多合成化合物文库可购自不同的公司，包括MaybridgeChemical Co.(Trevillet，Cornwall，UK)、Comgenex(Princeton，N.J.)、Brandon Associates(Merrimack，N.H.)、和Microsource(New Milford，Conn.)，而稀有化合物文库可自Aldrich(Milwaukee，Wis.)获得。组合文库也是已知的并可制备。或者，也有细菌、真菌、植物和动物提取物形式的天然化合物的文库，例如Pan Laboratories(Bothell，Wash.)或MycoSearch (N.C.)，其也可以通过本领域熟知的方法容易地制备。建议将分离自天然来源例如动物、细菌、真菌、包括叶子和树皮的植物来源以及海洋样品的化合物作为候选物，分析是否存在潜在的可药用物质。可以理解，待筛选的药用物质也可以自化学组合物或者人造化合物中衍生或合成而得到。

特别有价值的配体是那些为制药用途而开发的化合物。此类配体通常是有机分子，其分子量典型地为大约100至2000Da、更优选地为大约100至1000Da。此类配体包括肽及其衍生物、类固醇类化合物、抗炎药物、抗癌药物、抗菌或者抗病毒药物、神经科药物等等。原则上制药领域正在开发的任何化合物均可用于本发明，以便促进其开发或进行进一步合理性药物设计以改进其特性。

其他有价值的配体是腺嘌呤核苷酸及其类似物。腺嘌呤核苷酸是腺苷的任何磷酸酯，即一磷酸腺苷(AMP)、ADP和ATP中的任一种。

腺嘌呤核苷酸的类似物是保留腺嘌呤核苷酸的特征性结构的任何化合物，例如核苷酸的片段或者核苷酸的分子变体，其能够结合solAC的ATP结合袋。特征性结构指的是所述类似物包含一或多个的嘌呤碱基结构、糖残基、以及单、二或三磷酸酯结构或其类似物。

腺嘌呤核苷酸的片段包括任何一种腺苷磷酸酯的任何分子片段，所述片段能够结合solAC的ATP结合袋。因此，腺嘌呤核苷酸的片段的实例为腺嘌呤(碱基)、腺苷(核苷)、核糖(糖)、以及任何一种核糖磷酸酯(如核糖5’单磷酸酯、核糖5’二磷酸酯和核糖5’三磷酸酯中的任一种)。

在腺嘌呤核苷酸的分子变体中，嘌呤碱基结构可以是腺嘌呤衍生物，例如在8位发生取代的腺嘌呤(例如以卤素原子取代，产生8-溴ATP或8-溴AMP，或者以烷基取代)，或其中的环含有杂原子，或其中的碱基是开环类似物，例如在ZMP(AICA核糖单磷酸酯)中。或者，或额外地，糖残基结构可包括，例如，2’或3’羟基的修饰，例如被其他基团取代或基团的环化。此外，类似物的磷酸酯部分可以被修饰，例如以便为γ和β磷酸酯之间(例如腺苷-5′-[(β，γ)-亚氨基]三磷酸酯，AMPPNP)或为β和α磷酸酯之间(例如腺苷-5′-[(α，β)-亚甲基]三磷酸酯，AMPCPP)提供非水解基团。许多销售商提供大量的类似物，例如Jena BioscienceGmbH(Jena，Germany)。此外，临床上也在使用大量的腺嘌呤核苷类似物，也不是在抗病毒领域。例如，阿糖腺苷(也称为腺嘌呤阿糖胞苷，或ara-A)是一种用于通过导向病毒聚合酶来治疗疱疹病毒的腺嘌呤核苷类似物，而9-(3-羟基-2-膦酰基-甲氧基丙基)-腺嘌呤(也称为HPMPA)是一种具有抗HIV活性的腺嘌呤衍生物(Pauwels，R.Balzarini，J.Schols，D.Baba，M.Desmyter，J.Rosenberg，I.Holy，A.De Clercq，E.Phosphonylmethoxyethyl Purine Derivatives，A New Class Of Anti-HumanImmunodeficiency Virus Agents.Antimicrob Agents Chemother 32(7)：1025-1030(1988))。这些衍生物中有一些在体内被磷酸化成为三磷酸酯。

腺嘌呤核苷酸及其类似物可用作配体，可对其进一步修饰以增强或降低它们与solAC的相互作用，例如用于开发新的药物化合物。

配体还可以是具有碳酸氢根或亚硫酸根类似物部分的化合物，这样所述部分能够与一或多个参与碳酸氢根结合的solAC原子配位。

A.蛋白质晶体

本发明提供人可溶性腺苷酸环化酶催化结构域的晶体。

在又一方面，本发明提供可溶性腺苷酸环化酶催化结构域的晶体，所述晶体包含SEQ ID NO：3的第1至468位残基或其具有1至10个氨基酸的取代、缺失或插入的变体。所述晶体可具有SEQ ID NO：3，任选地不包括His6标签(即SEQ ID NO：3的1至469位)或其中His6标签被具有4至20个氨基酸的标签取代。所述标签可包含更少或更多数量的组氨酸残基，例如可以是His4、His5、His7或His8标签。晶体可包含SEQ ID NO：3的1-468位残基的等位基因或变体，仍保留在如本文所述的条件下形成晶体的能力。此类变体包括那些具有大量氨基酸取代的变体，例如将1、2、3、4、5、6、7、8、9或10个氨基酸以等量或者更少数量的氨基酸取代。下文进一步讨论了包括突变体在内的变体的更多实例。

在一个实施方式中，在此所述的本发明的晶体具有空间群P63，晶胞尺度为a＝b＝99.5_、c＝97.4_、和α＝β＝90.0°，γ＝120.0°。晶胞尺度可有5％的可变性。因此，具体的实例为a＝b＝99.51_、c＝97.13_；a＝b＝99.424_、c＝97.390_(如表1所示)；a＝b＝99.651_、c＝96.522(如表2所示)；a＝b＝99.673_、c＝96.824(如表3所示)；a＝b＝99.569_、c＝98.470(如表4所示)；a＝b＝99.291_、c＝97.753(如表5所示)。

更通常而言，晶胞晶体尺度可在如下范围：104.475_＞a＝b＞94.525_，102.27_＞c＞92.53_。

可采用所附实施例中描述的方法获得此类晶体。

本发明提供在没有任何活性位点结合配体情况下生长成的solAC催化结构域晶体。因此本发明也包括solAC催化结构域的apo晶体。

在此举例说明的用于提供solAC晶体或共结晶通常可以提供可以大约3.5_或更好的分辨率而分辨的solAC催化结构域晶体或共结晶。

本发明因此还提供具有3.5_或更好的分辨率的solAC催化结构域晶体或共结晶。

在又一方面，本发明提供制备solAC催化结构域蛋白质晶体、特别是包含solAC的催化结构域或其变体的序列的solAC蛋白的方法，所述方法包括通过悬滴蒸汽扩散而生长晶体。

本发明另一方面提供其中已经浸渗了配体的solAC催化结构域。

此外，本发明提供用于制备solAC催化结构域与配体形成的复合体的晶体的方法，所述方法包括取得solAC催化结构域的晶体并将配体浸渗于其中。

(i)突变体

突变体是这样一种solAC催化结构域蛋白，其特征为在野生型solAC中进行至少一种氨基酸的取代、插入或缺失。此突变体可通过例如定点诱变或者掺入天然或非天然氨基酸而制备。

本发明包括“突变体”，其中“突变体”指的是通过将天然或合成的solAC中的至少一个氨基酸残基以不同的氨基酸残基取代和/或通过在天然多肽内部或相应于solAC的多肽的N端和/或C端添加和/或缺失氨基酸残基而获得的多肽，且所述多肽与其所来源于的solAC具有基本上相同的三维结构。具有基本上相同的三维结构指的是具有一组原子结构坐标，所述原子结构坐标与表1、表2、表3、表4或表5的坐标的均方根差(rmsd)小于大约1.5_。

突变体可以具有但不必需具有酶活性或催化活性。

为了产生同源物或突变体，可将所述蛋白质中的氨基酸用特性相似的其他氨基酸取代，所述特性例如是疏水性、疏水运动、抗原性、形成或打开α-螺旋或β-折叠结构的倾向性等等。在蛋白质的取代变体中，蛋白质序列中的至少一个氨基酸已经被去除，并在该位置插入了不同的残基。氨基酸取代典型地涉及单个残基，但也可以是成簇的，这取决于功能上的约束，例如晶体接触的约束。优选地，氨基酸取代包括保守性氨基酸取代。在插入性氨基酸变体中，引入了一或多个氨基酸。这可以是氨基端和/或羧基端融合体，也可以是内部序列。氨基端和/或羧基端融合体的实例是亲和标签(如MBP或GST标签)或表位标签。

不明显干扰solAC的三维结构的氨基酸取代、缺失和添加部分取决于solAC中发生取代、添加或缺失的区域。在分子的高度可变区域中，非保守性取代以及保守性取代均是可以的，而不会明显破坏分子的三维结构。在高度保守的区域或者含有明显的二级结构的区域中，保守性氨基酸取代是优选的。

保守性氨基酸取代是本领域熟知的，包括基于有关氨基酸残基在极性、电荷、溶解性、疏水性、亲水性和/或两亲性上的相似性而作出的取代。例如，带负电荷的氨基酸包括天冬氨酸和谷氨酸；带正电荷的氨基酸包括赖氨酸和精氨酸；具有相似的亲水性值的不带电极性首基的氨基酸包括：亮氨酸、异亮氨酸、缬氨酸；甘氨酸、丙氨酸；天冬酰胺、谷氨酰胺；丝氨酸、苏氨酸；苯丙氨酸、酪氨酸。其他保守性氨基酸取代是本领域熟知的。

在一些情况下，为了在编码所述多肽的cDNA中产生方便的克隆位点以有助于纯化所述多肽等而取代、缺失和/或添加氨基酸残基可以是特别有利或方便的。此类不明显改变solAC的三维结构的取代、缺失和/或添加对于本领域人员是显然的。

如上所述，本发明预期的突变体不必显示出酶活性。实际上，干扰solAC的催化活性但不明显改变催化区域的三维结构的氨基酸取代、添加或缺失是本发明所特别预期的。此类结晶的多肽或自其获得的原子结构坐标可用于鉴定那些与所述蛋白质结合的配体。

本领域人员能够容易地鉴定那些用于突变的残基，并可通过定点诱变引入这些突变，例如采用Stratagene的QuikChange^TM定点诱变试剂盒或者盒诱变方法(见例如Ausubel et al.eds.Current Protocols inMolecular Biology，John Wiley&Sons，Inc.New York，and Sambrook et al.Molecular Cloning：a Laboratory Manual，2nd ed.Cold Spring HarborLaboratory Press，Cold Spring Harbor，NY，(1989))。

(ii)等位基因

本发明预期“等位基因”，其中等位基因是由Bateson和Saunders于1902年为孟德尔遗传学中彼此并列的性状而创造的术语。现在该术语等位基因用于一种基因的两种或者多种并列形式，它们导致产生不同的基因产物，且因此产生不同的表型。等位基因含有核苷酸改变，这些改变已经被发现可影响转录、剪接、翻译、转录后修饰或翻译后修饰，或者导致至少一个氨基酸改变。典型地，solAC的等位基因变体与相应的具体举例说明的solAC蛋白将具有至少75％的序列相同性(更优选地，至少80％、85％、90％或95％的序列相同性)，其中序列相同性通过将所述多核苷酸的核苷酸序列对齐以达到最大的重叠和相同且序列缺口最少时比较所述核苷酸序列而确定的。更通常地，等位基因形式包含在野生型蛋白质中发生1-10个氨基酸改变、特别是1或2个氨基酸改变，或在DNA序列中发生1-30个核苷酸改变。

在本发明所涉及的solAC-配体复合体以及solAC的突变体、同源物、类似物、等位基因形式、物种变体蛋白质的范围内，可以形成此类蛋白质的晶体。本领域人员能够认识到，在此提供的使solAC结晶化的条件可用于形成此类晶体。或者，本领域人员能够基于这些条件来鉴定用于形成晶体的改良的条件。

因此本发明涉及solAC晶体的各个方面可扩展至产生同源物、等位基因形式和物种变体的solAC突变体的晶体。

(iii)solAC的纯化

为了获得用于结晶化的足量蛋白质，有必要建立用于高水平表达和回收solAC的方案。在一个实施方式中，本发明提供用于产生solAC(例如包含SEQ ID NO：3的1-469位残基的solAC或其突变体或变体)的方法，所述solAC任选地融合于C端或N端的标签，所述方法包括：

在真核细胞培养物中表达所述solAC；

在缓冲液中裂解培养物中的细胞，所述缓冲液包括10-100mM TrispH7.4-8.0(4℃)，0.3-0.5 M NaCl，0-20％(v/v)甘油和2-5mMβ-巯基乙醇；和

自培养物中回收solAC。

更优选地，所述方法包括：

在缓冲液中裂解培养物中的细胞，所述缓冲液包括40-60mM TrispH7.4-7.6(4℃)，0.3-0.4M NaCl，5-15％(v/v)甘油和2-5mM β-巯基乙醇；和

自培养物中回收solAC。

甚至更优选地，在所述培养物细胞中表达后，所述方法包括：

在缓冲液中裂解培养物中的细胞，所述缓冲液包括50mM TrispH7.5(4℃)，0.3M NaCl，10％(v/v)甘油和2-5mMβ-巯基乙醇；和

自培养物中回收solAC。

在上述方法中，真核细胞培养物可以使哺乳动物或昆虫细胞培养物，特别是昆虫细胞培养物。

在一个实施方式中，solAC包含组氨酸标签(例如包括大约4-10个、如6个组氨酸标签)残基，且回收solAC的步骤包括使solAC与螯合柱在用于所述标签与柱结合的条件下结合，然后自所述柱洗脱所述蛋白质。在另一个实施方式中，所述solAC可包含GST标签。

本发明还提供组合物，其包含位于缓冲液中的solAC，特别是SEQID NO：3的solAC或其突变体或变体，所述缓冲液包括50mM Tris pH7.5(4℃)，330mM NaCl，10％(v/v)甘油和1mMβ-巯基乙醇。在优选的实施方式中，所述solAC的浓度为10至40mg/ml，例如20至40mg/ml。优选地，所述solAC在这些优选的浓度仍保留单体形式。

(iv)solAC的结晶化

为了产生solAC催化结构域蛋白晶体，将最终的蛋白质在缓冲液中浓缩至～8-15mg/ml，所述缓冲液例如包括50mM Tris，pH7.5，330mM氯化钠，1mMβ-巯基乙醇和10％甘油，可使用商品化的浓缩装置。

通过悬滴或沉滴方法开始蛋白质结晶化，并通过针对多种蒸汽扩散缓冲组合物在4℃进行蒸汽扩散而使蛋白质结晶化。可采用微引晶(Microseeding)。在悬滴或沉滴中常规使用1∶1的蛋白质溶液和蒸汽扩散缓冲液，本发明也使用这一比率，除非另有指明。悬滴或沉滴的体积通常为大约0.5至2μl、例如大约1至2μl、优选地1μl。也可采用微批量(microbatch)方法进行结晶化。

典型地，蒸汽扩散缓冲液包含100mM醋酸钠pH4.8，200mM柠檬酸三钠，14-17％PEG4000，10％甘油和3mMβ-巯基乙醇。

可使用Hampton Research Screening试剂盒、聚乙二醇(PEG)/离子筛、PEG栅、硫酸铵栅、PEG/硫酸铵栅或等等来准备结晶化的尝试条件。

可在结晶化条件中加入经确定可影响结晶化的添加剂。可在优化初步结晶化条件过程中使用添加剂筛，其中存在的添加剂可有助于样品的结晶化，且所述添加剂可改善晶体的质量，例如在蛋白质结晶化中使用甘油、多元醇和其他蛋白质稳定剂的Hampton Research添加剂筛(R.Sousa.Acta.Cryst.(1995)D51，271-277)或者二价阳离子(Trakhanov，S.and Quiocho，F.A.Protein Science(1995)4，9，1914-1919)。

此外，可在结晶化条件中加入去垢剂以改善结晶化表现，例如Hampton Research的去垢剂筛中的离子型、非离子型以及兼性离子去垢剂  (McPherson，A.et al.The effects of neutral detergents on thecrystallization of soluble proteins，J.Crystal Growth(1986)76，547-553)。

此外还可使用引晶方法改善晶体质量。这些包括微引晶、条纹引晶(streak seeding)和大引晶(macroseeding)。可使用商品化引晶制备试剂盒，例如Hampton Research的那些。

B.晶体坐标

在又一方面，本发明还提供可溶性腺苷酸环化酶催化结构域的晶体，其具有表1所示的三维原子坐标。

表1给出了非对称单元形式的、鉴定为包括原子1至7273的分子A的可溶性腺苷酸环化酶的催化结构域的原子坐标数据。在该表格的各行中，第二列表示原子编号，第三列表示原子，第四列为残基类型，第五列为链别(chain identification)(A或B)，第六列为残基编号，第七、八和九列分别是所考虑的原子的X、Y、Z坐标，第十列是该原子的占用(occupancy)，第十一列为该原子的温度因子，第十二列为原子类型。

表格中其余的原子(7274-8726)是水，其原子以上述相同的格式鉴定。

表1的原子坐标所定义的结构的优势特征在于它们具有大约1.7_的分辨率。表2的原子坐标所定义的结构的优势特征在于它们具有大约1.9_的分辨率。表3和表4的原子坐标所定义的结构的优势特征在于它们具有大约2.0_的分辨率。表5的原子坐标所定义的结构的优势特征在于它们具有大约2.05_的分辨率。

表1的原子坐标所定义的结构的特别优势在于它们描绘出一个具有未被配体占据的活性位点的结构。

在另一个方面，本发明还提供与分子AMPCPP形成复合体的可溶性腺苷酸环化酶催化结构域的晶体，其具有表2所示的三维结构。

表2给出了solAC与AMPCPP的复合体的原子坐标，其中所述蛋白质被鉴定为包括编号为1-7289的原子的分子A，AMPCPP分子包括编号为7291-7339的原子，一个钙离子被编号为7340，其余的原子编号为7341-8307，它们均为水分子。在该表格的各行中，第二列表示原子编号，第三列表示原子，第四列为残基类型，第五列为链别(chainidentification)(A或B)，第六列为残基编号，第七、八和九列分别是所考虑的原子的X、Y、Z坐标，第十列是该原子的占用，第十一列为该原子的温度因子，第十二列为原子类型。

表3给出了solAC与碳酸氢根的复合体的原子坐标数据。所述蛋白质被鉴定为包括编号为171-3909的原子的分子A。在该表格中，上述原子的前面是水分子(1-87和92-170)和碳酸氢根的原子(88-91)。

表4给出了solAC与5-苯基-2H-[1，2，4]-三唑-3-硫醇(化合物1)的复合体的原子坐标数据，其中所述蛋白质被鉴定为包括编号为1-7499的原子的分子A，化合物1分子是原子7516-7534，而其后的分子是水。结构中还存在一个甘油分子，即原子7502至7514。

表5给出了solAC与N-(3-苯氧基-苯基)-草酰酸(化合物2)的复合体的原子坐标数据，其中所述蛋白质被鉴定为包括编号为1-7478的原子的分子A，化合物2分子是原子7495-7523，而其后的分子是水。结构中还存在一个甘油分子，即原子7481至7493。

关于solAC蛋白结构，表3-5各列的顺序与表2一样。

表1、表2、表3、表4和表5均具有内部一致的格式。例如表1、2、4和5中，列出了各氨基酸残基的原子的坐标，使得主链氮原子在第一，随后是Cα主链碳原子，称为CA，随后是侧链残基的原子(根据标准的传统方式命名)，而最后是蛋白质主链的碳和氧。表3中，蛋白质主链的碳和氧在侧链残基之前。表3还含有solAC结构的连续原子编号，而其他各表的编号采用计数蛋白质分子的氢原子的传统方式。本领域人员也可采用或者偏好其他的文件格式，所述格式可包括这些原子的不同顺序，或侧链残基和配体分子原子的不同命名。不过，采用不同文件格式来表示或者操作所述表格的坐标显然属于本发明的范围。

表1、表2、表3、表4或表5的坐标提供了以埃(Angstrom)为单位的原子位置测量值，保留3位小数。坐标是一组相关的位置，定义了一个三维的形状，但本领域人员能够理解的是，具有不同原点和/或坐标轴的一组完全不同的坐标却可以定义相似的或相同的形状。此外，如前面在“定义”部分所述，本领域人员能够理解，改变所述结构的原子的相对原子位置使得均方根差小于1.5_，通常会得到与表1、表2、表3、表4或表5的结构基本相同的结构，无论是就其结构特征而言，还是就其用于对solAC与配体之间的相互作用性进行基于结构的分析的用途而言。

类似地，本领域人员能够理解，改变各表中的水分子和/或配体分子的数量和/或位置一般不会影响所述结构用于对solAC与配体的相互作用进行基于结构的分析的用途。因此，对于在此所述的本发明个方面的目的，以下情况仍属于本发明的范围：将表1、表2、表3、表4或表5的坐标转移至不同的原点和/或坐标轴；所述结构的原子的相对原子位置或其选定的坐标发生变化，但使得所得到的改变的结构当重叠于表1、表2、表3、表4或表5所提供的坐标时，其均方根差小于1.5_；和/或水分子和/或配体分子的数目和/或位置发生变化。

如上所述，表1、表2、表3、表4或表5的solAC结构的优选的选定的坐标可以是如下所述的已经被我们鉴定为构成solAC的活性位点的主链或侧链原子的一或多个氨基酸残基的原子。此类原子包括那些存在于表6、7、8、9、10或11(如表6、7或11)中所示的氨基酸中的原子的一或多个。各个表的优选的选定的坐标、或来自两个或多个表的坐标的组合如在本申请其他部分所述一样。

通过表1或表2的坐标来描述可溶性腺苷酸环化酶的催化结构域结构。残基Met1是在电子密度中能够观察到的第一个残基，而Lys468是最后一个。靠近Met1的主链氮原子的电子密度峰可能是乙酰化引起的，没有被建模。表1中不具有可判断的主链密度的残基是Trp135，Glu136，Glu137，Gly138，Leu139，Asp140，Phe350，Pro351，Gly352，Glu353，Lys354，Val355和Pro356。残基Val469和C端His标签在电子密度中是不可见的。靠近134位的首个断点(first break)的主链定义不清楚，而残基132-134具有不均匀的(patchy)主链电子密度。残基304-306和451-455的电子密度的定义不清楚。此外，模型周边的一些残基的侧链被主观放置，因为它们没有可判断的密度。Phe350在表2中是可见的。

进一步解析了可溶性腺苷酸环化酶的催化结构域的结构，并且对于表1中的未被解析的残基，这些结构中有一些也具有可判断的密度，使得能够获得更加完整的表3，表4或表5的坐标数据。

为了将本发明解决的哺乳动物可溶性腺苷酸环化酶的结构与以往发表的细菌可溶性腺苷酸环化酶的结构进行比较，计算了可溶性腺苷酸环化酶与钝顶螺旋藻腺苷酸环化酶(PDB code 1wc1)(Steegborn，C.Litvin，T.Levin，L.R.Buck，J.and Wu，H.(2005)Nat.Struc.And Mol.Biol.12，32-37)结构之间的均方根差。采用Comparer(Sali and Blundell(1990)J MolBiol.212，403-428)进行计算，以使所述结构和MNYFIT(Sutcliffe et al.1987)重叠，以使得重叠更加精确并计算均方根差。仅使用Cα原子的位置计算均方根差。将各个结构分解成其组成结构域以便进行重叠。这否定了结构域运动引起结构之间均方根差出现大的差异的问题。因此将可溶性腺苷酸环化酶的第一结构域(残基36-216)重叠于钝顶螺旋藻结构的B链，而将第二结构域(残基287-465)重叠于C链。采用2.5_的截断值来定义等价性(equivalence)(一个结构的Cα原子在被重叠的结构的Cα原子2.5_的范围内即是等价的)。对于可溶性腺苷酸环化酶第一结构域，181个残基中的116个被定义为与钝顶螺旋藻结构的残基等价，均方根差为1.2_。对于第二结构域，179个残基中的127个被定义为与钝顶螺旋藻结构的残基等价，均方根差为1.4_。引起这些均方根差值以及以2.5_截断值所鉴定到的低数目的等价残基的原因在于连接二级结构元件的序列中有多个区域在长度和方向上有差异。对重叠的研究还发现螺旋α3的长度的差异，哺乳动物环化酶的螺旋α3要短几个残基，而这些分子的核心β-折叠部分则很好地重叠，螺旋α2和α3的重叠差一些。因此，总体上，本发明的solAC结构的两个结构域与钝顶螺旋藻结构1wc1相比，总Cα原子的均方根差值明显超过1.5_。

这些酶的二级结构有一些不同，例如人可溶性腺苷酸环化酶与tmAC或钝顶螺旋藻酶相比具有较短的β1链和较长的α1螺旋。

solAC与tmAC类和钝顶螺旋藻solAC两者之间的主要区别在于存在一个额外的部分螺旋型结构域，其靠在假二聚体N端结构域的基底上。其由N端的残基1-26组成，残基1-12具有伸展的构象，13-19采用的是螺旋构象，其余的残基20-26与25-27延伸形成螺旋的一个转弯。该结构域的其余部分由残基219-284形成。这包括将形成N端结构域中的β8、形成C端结构域中的β1、以及形成C端结构域中的α1的残基。在残基219-284中，残基226-236、258-268和271-277形成3个螺旋。

我们已经在solAC内部鉴定了若干个结合配体的区域。我们还发现，这些区域具有形成扩充的(expanded)配体结合位点的潜力，所述配体结合这些区域中的两个或多个。

我们鉴定区域为(a)ATP结合位点、(b)碳酸氢根结合位点、(c)通道结合位点、和(d)亚袋结合位点。此外，我们还鉴定了(e)，替代性的、潜在的别构位点。随后的实施例中将对这些位点给出更加详细的说明。

(A)ATP结合位点

此位点更多地被称为solAC的活性位点，由活性位点残基排列而成。下面的表6和7以单字母代码的形式给出了本发明鉴定到的SolAC的活性位点残基。

表6：solAC的活性位点残基

D47	I48	S49	G50
				F51	T52	A97	G98
F296	F336	F338	L345
				V406	V411	N412	A415
R416

表7：与腺苷部分相互作用的solAC的活性位点残基。将与腺嘌呤基团形成氢键的残基自排列成疏水袋侧方的那些残基中区分出来。

氢键	G98	V406
								疏水袋	A97	F296	F336	F338	L345	V411	A415

(B)碳酸氢根结合位点

我们对solAC结构的分析发现了一个碳酸氢根结合区域。SolAC的三个残基与碳酸氢根离子相互作用，即Lys95、Val167和Arg176。使用一种具有带负电荷的硫原子(该硫原子与HCO₃ ^-离子位于几乎相同的位置)的化合物(5-苯基-2H-[1，2，4]-三唑-3-硫醇；″化合物1″)，我们鉴定到一个扩充的碳酸氢根结合位点，其形成一个大的袋，与ATP结合位点邻近。

该扩充的HCO₃ ^-结合位点指明了在设计solAC抑制剂或活化剂时可供开发的solAC结构的区域。

表8给出了该扩充位点的残基。

表8：碳酸氢根结合位点残基

Phe45	Leu94	Lys95	Ala97
				Ala100	Leu102	Phe165	Leu166
Val167	Ile168	Val172	Arg176
				Val335	Phe336	Met337	Phe338

在这些残基中，我们发现：

1)Lys95的NZ与HCO₃ ^-的O1形成盐桥(salt bridge)；

2)Val167的主链NH与HCO₃ ^-的O1形成带电氢键；

3)Val167的主链羰基与HCO₃ ^-的OH形成氢键；

4)Arg176的侧链NH2与HCO₃ ^-的O3形成盐桥；和

5)Arg176的侧链NH2与HCO₃ ^-的OH形成带电氢键。

在该扩充的碳酸氢根位点内，5-苯基-2H-[1，2，4]-三唑-3-硫醇的硫原子位于袋底部，并与Lys95的NZ形成盐桥，且与Val167的主链NH和Phe336的主链NH形成带电氢键。三唑的N6也与位于袋底部的Met337的主链羰基形成氢键。此外，三唑的N5与Arg176的NH2形成带电氢键。化合物1的苯基伸入由Phe45、Lys95、Ala97、Ala100、Leu102和Phe336的侧链所形成的化合物袋的主要为亲脂性的区域内。在该化合物的苯基之后，该袋在敞开进入ATP结合位点之前轻度缩小。该扩充的HCO₃ ^-结合位点的形状和在该化合物：solAC复合体中所观察到的相互作用的性质提示该位点适合于多种配体。

(C)通道结合位点

结合于solAC的N-(3-苯氧基-苯基)-草酰酸(″化合物2″)的晶体结构揭示了可能被开发用于药物设计的solAC结构中的其他区域。化合物2的结合位点与化合物1中描述的扩充的HCO₃ ^-袋重叠，其使得化合物2的苯氧基占据了与化合物1的苯基非常相似的位置。然而，化合物2诱导了位于HCO₃ ^-结合位点底部的Lys95的大的侧链运动。该Lys95运动打开了HCO₃ ^-结合袋，形成一并入大的充水腔(cavity)的通道，然后开口于蛋白质表面与ATP结合位点相对的点上。以下残基(表9)排列成这一新发现的通道：

表9：通道结合位点

His164	Phe165	Tyr268
			Asn333	Lys334	Val335

化合物2的草酰酸基团最大程度地伸入该通道，与所述蛋白质形成若干相互作用：

1)化合物2的O3与His164的ND形成带电氢键；

2)化合物2的O1与Phe165的主链NH形成带电氢键；

3)化合物2的O5氢键结合于Val335的主链NH；和

4)化合物2的酰胺N6氢键结合于Phe165的主链羰基。

Lys95、Phe165、Leu166、Val167和Phe336的侧链形成围绕化合物2的中心苯胺基芳族环的亲脂性环境。尽管化合物2的末端苯氧基结合于为化合物1所描述的相同的亲脂性袋内，但由于化合物2引起包含Met337、Phe338、Asp339、Lys340和Gly341的环发生运动，该袋的环境被轻度改变。该环的运动将Phe338拖离ATP位点，到达化合物2的末端苯氧基的范德瓦耳斯距离范围内。在apo、AMP-PNP和结合化合物1的solAC的结构中均没有观察到Phe338的这种运动。

(D)亚袋结合位点

对AMP-PNP复合体结构的进一步分析揭示，Phe338形成ATP位点的一端，靠近AMP-PNP核糖的羟基。Phe338的重新定位形成了与ATP结合位点邻近的新的亚袋。该新的亚袋由以下残基(表10)排列而成。

表10：亚袋残基

Phe296	Met418	Ash298	Ser343
				Phe336	Met337	Gly341	Asp339
Met419	Cys342	Ala415	Arg416
				Met300	Lys340

(E)solAC上的替代性结合位点

solAC分子表面的疏水性裂缝形成了对称相关分子N-末端的结合位点。N端甲硫氨酸的侧链切入(slot into)由Phe89、Phe230和Phe226的侧链形成的疏水袋中。残基1-4的主链则切入一沟槽中，该沟槽的一侧由螺旋2末端的残基形成，而另一侧由来自包括残基编号Lys246、Asn247、Leu248和Leu249的环的残基形成，相对于钝顶螺旋藻腺苷酸环化酶而言，这些残基位于solAC的一个额外的结构域中。尽管无意于受到任何理论的局限，表11所示的上述这些残基可形成别构位点，且因此这可以成为solAC的配体的进一步的靶点。

表11：替代性结合位点残基

Phe89	Phe226	Phe230	Lys246
				Ash247	Leu248	Leu249

复合体结构

浸渗了AMPCPP的可溶性腺苷酸环化酶的结构为该蛋白质的核苷酸结合袋提供了结构信息，特别是为核苷酸的腺苷部分的核苷酸结合袋。该结构于是可用于构建类似的结构与solAC的相互作用模型，用于设计更加有效的调变剂，例如抑制剂或活化剂。更一般性而言，浸渗了其他配体的可溶性腺苷酸环化酶的结构提供了该蛋白质的其他结合袋的结构信息。

solAC残基的鉴定和用途

solAC的晶体结构已经使得能够精确鉴定所有在ATP结合袋区域内排列成该酶结合位点的残基(表6)。

因此，在本发明的一个优选的方面，其中本发明预期了选定的坐标在本发明的方法中用途，此类选定的坐标将包括选自表6的氨基酸残基的至少一个坐标、优选地至少一个侧链坐标。更优选地，所述选定的坐标包括选自表7的氨基酸残基的至少一个坐标、优选地至少一个侧链坐标。表6的残基特别适合于设计小分子配体。

同样优选的是，无论是选定特定氨基酸的所有原子还是仅仅某些原子，所述选定的坐标的至少5个、更优选地至少10个、且最优选地至少50个来自相应数目的不同氨基酸残基的侧链残基。这些可以排他性地选自表6、7或11。

在其他实施方式中，其中本发明预期选定的坐标在本发明的方法中的用途，此类选定的坐标将包括选自表6、7或11中的氨基酸残基的至少一个坐标、优选地至少一个侧链坐标。

C.嵌合体

使用嵌合蛋白来实现所需的特性在科技文献中是常见的。因此，solAC的变体可以是嵌合体。

特别相关的情况是改进活性位点以便提供代用系统以获得结构信息。例如，Ikuta等(J Biol Chem(2001)276，27548-27554)改进了cdk2的活性位点，这样他们便能够获得其结构数据，以模拟目前尚无任何X线结构的cdk4的结构。以这种方式，他们能够自嵌合蛋白获得蛋白质/配体结构，用于设计cdk4抑制剂。以类似的方式，基于比较有关solAC异构体的一级序列，可以改进本发明的solAC的结合位点以模拟那些异构体。可使用嵌合蛋白的蛋白质结构或蛋白质/配体结构，基于结构筛选出作为该有关的solAC异构体的配体的化合物。

即使在此所述的solAC与其他异构体之间的氨基酸序列相同性百分比在20至80％的范围，solAC蛋白的总体折叠仍然可以预期是非常相似的，结构元件具有相同的空间分布。

D.同源性建模

本发明还提供对其他蛋白质(下文称为靶腺苷酸环化酶蛋白)进行同源性建模的手段。“同源性建模”指的是采用计算机辅助从头预测结构的方法，基于处理来自表1、表2、表3、表4或表5的坐标数据或其选定的坐标，来预测有关的腺苷酸环化酶结构。

“同源性建模”延及靶腺苷酸环化酶蛋白，它们是经所附实施例已经确定其结构的solAC蛋白的类似物或同源物。其也延及solAC蛋白本身的蛋白质突变体。

术语“同源性区域”描述的是两个序列中那些相同的或者具有相似的(例如脂肪族、芳香族、极性、带负电荷的或带正电荷的)侧链化学基团的氨基酸残基。同源性区域中相同的和相似的残基有时被本领域人员分别描述为是“不变的”和“保守的”。

总体而言，所述方法涉及通过氨基酸序列比对而比较solAC蛋白与靶蛋白的氨基酸序列。然后比较序列中的氨基酸并汇总具有同源性的氨基酸群体(方便地称为“相应区域”)。该方法检测多肽的保守区域并考虑氨基酸插入和或缺失。

可采用商品化的算法确定氨基酸序列之间的同源性。算法BLAST、缺口BLAST、BLASTN、PSI-BLAST、BLAST 2和WU-BLAST(由NationalCenter for Biotechnology Information提供)被广泛用于此目的，并可比对两种或更多的氨基酸序列的同源性区域。可使用这些方法的默认参数来确定solAC和待建模的其他靶蛋白的氨基酸序列之间的同源性程度。

优选地用于本发明的是WU-BLAST(Washington University BLAST)版本2.0软件。用于若干UNIX平台的WU-BLAST版本2.0可执行程序可自ftp://blast.wustl.edu/blast/executables下载。该程序基于WU-BLAST版本1.4，后者则基于公共领域NCBI-BLAST版本1.4(Altschul and Gish，1996，Local alignment statistics，Doolittle ed.Methods in Enzymology 266：460-480；Altschul et al.1990，Basic local alignment search tool，Journal ofMolecular Biology 215：403-410；Gish and States，1993，Identification ofprotein coding regions by database similarity search，Nature Genetics 3：266-272；Karlin and Altschul，1993，Applications and statistics for multiple high-scoring segments in molecular sequences，Proc.Natl.Acad.Sci.USA 90：5873-5 877；all of which are incorporated by reference herein)。

在所有成套的搜索程序中，缺口比对常规对于数据库搜索本身而言是完整的。如果需要可关闭缺口。对于长度1的缺口的默认罚分(Q)为，对于蛋白质和BLASTP，Q＝9；对于BLASTN，Q＝10；但可以变为任何整数。对于缺口延伸的默认的每残基罚分(R)为，对于蛋白质和BLASTP，R＝2；而对于BLASTN，R＝10，但可以变为任何整数。为了比对序列，可使用Q和R的任何组合值，以便使得重叠和相同性最大化，而使得序列缺口最小化。默认氨基酸比较矩阵是BLOSUM62，但也可采用其他氨基酸比较矩阵，例如PAM。

类似物被定义为具有相似的三维结构和/或功能的蛋白质，在序列水平极少有共同始祖的证据。

同源物是具有共同始祖证据的蛋白质，即很可能是进化趋异的产物，并基于序列相同性的程度(通常表示为百分数)而分为远、中和近亚组(sub-divisions)。

同源物在此的定义为与人solAC具有至少大约20％、例如至少25％、至少30％、至少35％、至少40％、至少50％、优选地至少60％、更优选地至少70％、更优选地至少80％、更优选地至少90％且更优选地至少95％序列相同性的蛋白质。这包括solAC的多态性形式和物种形式，包括下文表12和13中提及的那些物种。

表12和13显示哺乳动物可溶性腺苷酸环化酶之间的百分比相同性。

表12：哺乳动物可溶性腺苷酸环化酶之间的百分比相同性。在整个序列上进行比较。

	智人	穴兔	褐家鼠	小家鼠	黑猩猩	家犬
							智人	100.0	85.4	83.2	72.6	57.7	17.0
穴兔	85.4	100.0	91.1	74.5	50.9	17.9
							褐家鼠	83.2	91.1	100.0	79.9	49.4	18.1
小家鼠	72.6	74.5	79.7	100.0	47.0	17.9
							黑猩猩	57.7	50.9	49.4	47.0	100.0	16.0
家犬	17.0	17.9	18.1	17.9	16.0	100.0

表13：哺乳动物可溶性腺苷酸环化酶之间的百分比相同性。仅在催化结构域序列之间进行比较。

	智人	穴兔	褐家鼠	小家鼠	黑猩猩	家犬
							智人	100.0	88.8	86.7	86.2	69.5	34.3
穴兔	88.8	100.0	92.7	92.0	63.1	34.3
							褐家鼠	86.7	92.7	100.0	98.7	62.9	34.8
小家鼠	86.2	92.0	98.7	100.0	62.5	35.0
							黑猩猩	69.5	63.1	62.9	62.5	100.0	28.9
家犬	34.3	34.3	34.8	35.0	28.9	100.0

有两种类型的同源物：直系同源物(orthologues)和平行进化同源物(paralogues)。直系同源物被定义为不同生物体内的同源性基因，即所述基因具有与产生它们的物种形成事件同时存在的共同始祖。平行进化同源物被定义为相同生物体内的、源自基因/染色体/基因组复制的同源性基因，即基因的共同始祖出现于最近的物种形成事件之后。

同源物还可以是solAC的多态性形式，例如(A)部分所述的等位基因或突变体或(D)部分所述的嵌合体。

一旦将结构已知和结构未知的多肽的氨基酸序列进行比对，便将结构已知的多肽的计算机图象中的保守氨基酸的结构转移至结构未知的多肽的相应的氨基酸。例如，结构已知的氨基酸序列中的酪氨酸可以被替换为苯丙氨酸，即结构未知的氨基酸序列内相应的同源性氨基酸。

可以采用标准的肽几何学或者通过分子模拟技术如分子动力学来人工指定位于非保守区域的氨基酸的结构。通过采用分子动力学和/或能量最小化使得整个结构更加精确，从而完成方法的最后步骤。

这样的同源性建模本领域人员熟知的技术(见例如Greer，(Science，Vol.228，(1985)，1055)和Blundell et al.(Eur.J.Biochem，Vol.172，(1988)，513)。可采用这些参考文献所公开的技术以及通常现有技术中存在的其他同源性建模技术实施本发明。

因此，本发明提供同源性建模的方法，包括以下步骤：

(a)将三维结构未知的靶solAC蛋白的氨基酸序列的图象与表1、表2、表3、表4或表5或其选定的坐标的solAC的氨基酸序列进行比对，以匹配氨基酸序列的同源性区域，所述表1、表2、表3、表4或表5任选地有变化，但均方根差不超过1.5_；

(b)在表1、表2、表3、表4或表5或其选定的坐标所定义的solAC结构的相应区域上构建所述结构未知的靶solAC的相匹配的同源性区域的结构的模型，所述表1、表2、表3、表4或表5任选地有变化，但均方根差不超过1.5_；和

(c)确定所述结构未知的靶solAC的构象，所述靶solAC基本上保留所述相匹配的同源性区域的结构。

所述结构未知的靶solAC的构象例如是在结构未知的靶腺苷酸环化酶内部形成有利的相互作用的构象和/或形成低能量构象的构象。

优选地通过计算机建模进行步骤(a)至(c)的一个或所有步骤。

表1、表2、表3、表4或表5的坐标数据或其选定的坐标对其他腺苷酸环化酶的同源性建模是特别有利的。

在此所述的在硅片上(in silico)使用solAC结构的本发明的各个方面可同等地应用于通过本发明的上述方面获得的腺苷酸环化酶的同源物模型，并且这一用途形成本发明的另一个方面。因此，采用上述方法确定腺苷酸环化酶的构象后，该构象可用于在此所述的基于计算机的合理性药物设计方法中。

E.结构解析

solAC的原子坐标数据也可用于解析其他靶腺苷酸环化酶蛋白的晶体结构，包括solAC的其他晶体形式、solAC的突变体、共复合体，其中这些靶腺苷酸环化酶蛋白的X线衍射数据或NMR谱数据已经产生，需要解释以提供结构。

对于solAC，该蛋白质可以一种以上的晶体形式结晶化。本发明提供的表1、表2、表3、表4或表5的数据或其选定的坐标特别有助于解析solAC的其他晶体形式。其还可用于解析solAC突变体、solAC共复合体、或与solAC的任何功能结构域具有显著氨基酸序列同源性的任何其他蛋白质的晶体形式的结构。

对于其他靶腺苷酸环化酶蛋白，特别是同源性哺乳动物可溶性腺苷酸环化酶，例如来自表12和13中提及的物种的那些，在产生了最初的X线衍射数据的情况下，本发明使得能够更容易地获得此类靶的结构。

因此，在提供了靶蛋白质腺苷酸环化酶或三维结构未知的solAC的X线晶体学数据或NMR谱数据的情况下，来自表1、表2、表3、表4或表5的原子坐标数据可用于解释上述数据，通过本领域熟知的技术，例如X线结晶学中的定相(phasing)以及NMR谱中的辅助峰分配，为其他腺苷酸环化酶提供可能的结构。

可用于这些目的的一个方法是分子置换。在该方法中，可采用本发明的表1、表2、表3、表4或表5的所有或部分solAC结构坐标来确定未知的晶体结构，无论其是另一种晶体形式的solAC、solAC突变体、solAC嵌合体或solAC共复合体、或与solAC的任何功能结构域具有氨基酸序列同源性的靶腺苷酸环化酶蛋白的晶体。与试图从头开始确定这些结构相比，该方法可更快地且更高效地为未知晶体提供准确的结构形式。

本领域已知的用于进行分子置换的计算机程序是CNX(BrungerA.T.Adams P.D.Rice L.M.Current Opinion in Structural Biology，Volume 8，Issue 5，October 1998，Pages 606-611(也可购自Accelrys SanDiego，CA)，MOLREP(A.Vagin，A.Teplyakov，MOLREP：an automatedprogram for molecular replacement，J.Appl.Cryst.(1997)30，1022-1025，part of the CCP4 suite)或AMoRe(Navaza，J.(1994)。AMoRe：anautomated package for molecular replacement.Acta Cryst.A50，157-163)。

因此，本发明的另一个方面提供与确定蛋白质结构的方法，该方法包括：

提供表1、表2、表3、表4或表5的坐标或其选定的坐标，所述表1、表2、表3、表4或表5的坐标任选地有变化，但均方根差小于1.5_；和

或者(a)使所述坐标在所述蛋白质的晶体晶胞中定位以便提供所述蛋白质的结构，或者(b)通过操作所述坐标来分配所述蛋白质的NMR谱峰。

优选地，表1、表2、表3、表4或表5的坐标或其选定的坐标，包括表6至11中任一(例如表6、7或11)所示的氨基酸残基的原子坐标。各表中优选的选定的坐标或来自两个或多个表的坐标组合如本申请其他部分所述。

本发明还可用于通过操作表1、表2、表3、表4或表5的数据而分配此类蛋白质的NMR谱峰。

在本发明的一个优选的方面，所述坐标用于解析靶腺苷酸环化酶的结构，特别是solAC的同源物，例如其他腺苷酸环化酶，且特别是来自不同物种的solAC异构体。

F.计算机系统

在另一方面，本发明提供系统，特别是计算机系统，用于产生以下各项的结构和/或对其进行优化：与solAC、solAC同源物或类似物相互作用的配体、solAC与配体的复合体、或solAC同源物或类似物与配体的复合体，所述系统含有计算机可读数据，所述数据包含以下一或多项：

(a)表1、表2、表3、表4或表5的solAC坐标数据或其选定的坐标，所述数据定义solAC催化结构域的三维结构；

(b)基于表1、表2、表3、表4或表5的坐标数据通过对所述靶进行同源性建模而产生的靶腺苷酸环化酶蛋白的原子坐标数据；

(c)通过参照表1、表2、表3、表4或表5的坐标数据解释X线晶体学数据或NMR数据而产生的靶腺苷酸环化酶蛋白的原子坐标数据；

(d)可自(b)或(c)的原子坐标数据导出的结构因素数据；和

(e)表1、表2、表3、表4或表5的原子坐标数据或其选定的坐标，所述原子坐标数据任选地有变化，但均方根差小于1.5_。

例如，所述计算机系统可包括：(i)计算机可读数据存储介质，其包括编码有所述计算机可读数据的数据存储材料；(ii)工作内存，用于存储处理所述计算机可读数据的指令；和(iii)中央处理器，其偶联于所述工作内存并偶联于所述计算机可读数据存储介质，用于处理所述计算机可读数据并由此产生结构和/或进行合理性药物设计。所述计算机系统可进一步包括偶联于所述中央处理器的、用于显示所述结构的显示装置。

本发明还提供含有靶腺苷酸环化酶蛋白的原子坐标数据的此类系统，其中基于表1、表2、表3、表4或表5的数据或其选定的坐标所提供的初始数据，根据在此所述的本发明的方法已经产生了此类数据。

此类数据有多种用途，包括产生结构以分析腺苷酸环化酶蛋白的作用机制和/或进行与solAC相互作用的配体的合理性药物设计，例如被腺苷酸环化酶代谢的化合物。

在另一方面，本发明提供计算机可读存储介质，包括编码有计算机可读数据的数据存储材料，其中所述数据通过表1、表2、表3、表4或表5或其选定的坐标的solAC蛋白或solAC的同源物的结构坐标而定义，其中所述同源物包含的主链原子与来自所述表1、表2、表3、表4或表5或其选定的坐标的主链原子的均方根差小于1.5_。

在又一方面，提供了计算机可读存储介质，其包括编码有第一组计算机可读数据的数据存储材料，所述第一组计算机可读数据包括由表1、表2、表3、表4或表5的结构或其选定的坐标所定义的solAC蛋白的结构坐标的至少一部分的傅里叶分析变换，所述表1、表2、表3、表4或表5的结构任选地有变化，但均方根差小于1.5_；所述数据当与包括结构未知的分子或分子复合体的X线衍射模式(pattern)的第二组机读数据相组合时，利用由使用所述第一组数据和所述第二组数据的指令程序化的机器，可确定相应于第二组机读数据的至少一部分结构坐标。

在此，“计算机可读介质”指的是计算机能够直接阅读或者存取的任何介质。此类介质包括但不限于：磁性存储介质如软盘、硬盘存储介质和磁带；光学存储介质例如光盘或CD-ROM；电存储介质例如RAM和ROM；和上述类别的混合例如磁性/光学存储介质。

通过提供计算机可读介质，可常规获取到本发明的原子坐标数据以构建腺苷酸环化酶或其选定的坐标的模型。例如，RASMOL(Sayle et al.TIBS，Vol.20，(1995)，374)是一种公用计算机软件包，其能够用于获取并分析原子坐标数据，用于结构确定和/或合理性药物设计。

在此，“计算机系统”指的是用于分析本发明的原子坐标数据的硬件、软件和数据存储装置。本发明的基于计算机的系统的最少硬件包括中央处理器(CPU)、输入装置、输出装置和数据存储装置。希望提供显示器以便显示结构数据。数据存储装置可以是RAM或用于读取本发明的计算机可读介质的装置。此类系统的实例是微电脑工作站。可来自Silicon Graphics Incorporated和Sun Microsystems，运行Unix based、Windows XP或IBM OS/2操作系统。

本发明还提供计算机可读数据存储介质，其包括编码有第一组计算机可读数据的数据存储材料，所述第一组计算机可读数据包括表1、表2、表3、表4或表5的solAC坐标或其选定的坐标；所述数据当与包括结构未知的分子或分子复合体的X线衍射模式的第二组机读数据相组合时，利用由使用所述第一组数据和所述第二组数据的指令程序化的机器，可确定相应于第二组机读数据的至少一部分电子密度。

本发明的另一方面提供为产生与solAC、solAC同源物或类似物相互作用的配体、solAC与配体的复合体、或solAC同源物或类似物与配体的复合体的结构和/或对与solAC、solAC同源物或类似物相互作用的配体、solAC与配体的复合体、或solAC同源物或类似物与配体的复合体进行优化而提供数据的方法，所述方法包括：

(i)与远程装置建立通讯，所述远程装置含有

(a)计算机可读数据，包括表1、表2、表3、表4或表5的原子坐标数据或其选定的坐标，所述原子坐标数据任选地有变化，但均方根差小于1.5_，所述数据定义solAC催化结构域的三维结构或其选定的坐标；

(b)基于(a)的数据通过对所述靶进行同源性建模而产生的靶腺苷酸环化酶同源物或类似物的原子坐标数据；

(c)通过参照表1、表2、表3、表4或表5的数据来解释X线晶体学数据或NMR数据而产生的蛋白质的原子坐标数据；和

(d)可自(a)或(c)的原子坐标数据导出的结构因素数据；和

(ii)接收来自所述远程装置的所述计算机可读数据。

在又一方面，本发明提供计算机用于产生solAC结构或solAC-配体复合体的三维图象的用途，其中所述solAC结构来自表1、表2、表3、表4或表5或其选定的坐标，所述表1、表2、表3、表4或表5任选地有变化，但均方根差不超过1.5_，其中所述计算机包括：

(i)计算机可读数据存储介质，其包括编码有计算机可读数据的数据存储材料，其中所述数据包括表1、表2、表3、表4或表5的结构或其选定的坐标，所述表1、表2、表3、表4或表5任选地有变化，但均方根差不超过1.5_；

(ii)将所述计算机可读数据处理成所述三维图象的指令。

计算机还可包括用于显示所述三维图象的显示装置。

接收自所述远程装置的计算机可读数据，特别是当所述数据的形式为表1、表2、表3、表4或表5的原子坐标数据或其选定的坐标，且所述原子坐标数据任选地有变化，但均方根差小于1.5_时，可用于在此所述的本发明的方法，例如用于分析配体结构和solAC结构。

因此，远程装置可包括例如本发明签署各方面之一的计算机系统或计算机可读介质。装置可以在不同的国家或行政区，自该处收到计算机可读数据。

通讯可以通过互联网、内部网、电子邮件等等，可通过有线或无线方式传输，例如地面电台或卫星。典型地，通讯是电子的，但部分或全部通讯途径可以是光学的，例如，通过光纤。

G.本发明分结构的用途

根据本发明获得的晶体结构以及根据在此所述的方法获得的靶腺苷酸环化酶蛋白的结构可用于多种药物设计途径。例如，可通过参照表1、表2、表3、表4或表5的坐标数据或其选定的坐标设计对solAC具有选择性的配体，例如对solAC的核苷酸结合区域具有选择性的配体。在一个方面，非环化核苷酸类似物AMPCPP能够结合至多种不同腺苷酸环化酶的核苷酸结合袋中。使用本发明的solAC催化结构域的结构能够设计出一些结构，与其他腺苷酸环化酶相比，它们对solAC具有更高的特异性。

更通常地，本发明的结构可用于提供、设计、修饰或者分析solAC的调变剂。在此，solAC的“调变剂”指的是一种配体，其引起solAC蛋白的生物学活性水平的变化(即调变)。因此，调变涵盖引起solAC活性升高或降低的生理学改变。在前一种情况中，调变可以称为活化；对于后一种情况则是抑制。调变可以作为配体结合于solAC的ATP结合位点的结果而直接产生，或者可以间接地产生，例如通过配体结合于solAC的任何位点，由此影响solAC的活性或其与其他蛋白质的相互作用。所述相互作用可以包括与其他基因产物或蛋白质的相互作用，它们将solAC酶定位于特定的细胞器(例如线粒体、中心体、有丝分裂纺锤体、细胞核)，或引起solAC与效应分子(例如PKA)之间的相互作用，或者是酶活性的水平(例如通过别构机制、竞争抑制、活性位点失活、干扰反馈抑制途径等等)。因此，调变可以是由此类机制导致的solAC的过表达或低表达，以及配体结合于ATP结合位点、或碳酸氢根结合位点、或任何其他在此所述的位点所引起的高(或者低)活性。可相应地解释所用的与solAC有关的术语“调变剂”、“调变作用”和“调变”。

例如，可通过共结晶化、浸渗或计算配体对接而确定配体在结合袋中的结合方向的信息。这可指导对所设计的化学结构进行特定的修饰，以介导或控制配体与所述蛋白质的相互作用。此类修饰的目的可以是改进配体与solAC的相互作用，以便改善其治疗作用。

因此，确定solAC的三维结构为设计新的配体(例如与solAC相互作用的化合物)提供了基础。例如，知道了solAC的三维结构，即可使用计算机建模程序设计不同的分子，用于与solAC的可能的或确定的活性位点相互作用，例如结合位点或solAC的其他结构或功能特征。

(i)获得和分析晶体复合体

在一种方法中，可通过实验确定结合于solAC的配体的结构。这将是分析结合于solAC的配体的出发点，由此使得本领域人员能够详细了解特定的配体如何与solAC相互作用以及，例如，其与ATP竞争结合袋的机制。

上述许多用于基于结构的药物设计的技术和方法在一定阶段依赖于X线分析以鉴定配体-蛋白质复合体中的配体的结合位置。这样做的一个常规途径是对复合体进行X线结晶学分析，产生差异傅里叶分析电子密度图，并将特定的电子密度模式与配体相关联。不过，为了产生所述的图(有关解释例如可见Blundell et al.in Protein Crystallography，AcademicPress，New York，London and San Francisco，(1976))，有必要事先知道蛋白质的3D结构(或者至少是蛋白质晶体的一组结构因子)。因此，确定solAC结构也使得能够产生solAC-配体复合体的差异傅里叶分析电子密度图，确定药物的结合位置，并因此可极大地帮助合理性药物设计的过程。

因此，本发明提供用于确定结合于solAC的配体的结构的方法，所述方法包括：

提供solAC蛋白的晶体；

以配体浸渗所述晶体以形成复合体；和

采用表1、表2、表3、表4或表5的数据或其选定的坐标确定所述复合体的结构，所述数据任选地有变化，但均方根差不超过1.5_。

或者，solAC和催化结构域与配体可以共结晶化。将纯化的蛋白质样品与潜在的配体温育一段时间(通常＞1hr)。然后可筛选蛋白质配体复合体的结晶化条件。或者，可通过将晶体放入不含有配体的稳定化溶液中，对含有一个配体的蛋白质晶体进行反向浸渗(back-soak)，以去除配体。所得晶体然后可转移至含有不同配体的第二溶液中。

因此本发明提供用于确定结合于solAC的配体的结构的方法，所述方法包括：

将solAC蛋白与配体混合；

使solAC蛋白-配体复合体结晶化；和

采用表1、表2、表3、表4或表5的数据或其选定的坐标确定复合体的结构，所述数据任选地有变化，但均方根差小于1.5_。

可用化合物的混合物浸渗晶体或与晶体共结晶，其中这些化合物中仅有一种或者一些预期可结合于solAC。所述化合物的混合物可包括已知结合于solAC的配体。与复合体的结构一样，然后确定复合的化合物的性质。

所述方法还可包括进一步的步骤：(a)获得或合成所述候选配体；(b)形成solAC与所述候选配体的复合体；和(c)通过X线结晶学或NMR谱来分析所述复合体，以确定所述候选配体与solAC相互作用的能力。

对此类结构的分析可采用(i)来自所述复合体的X线结晶学衍射数据，和(ii)solAC的三维结构或至少其选定的坐标，以产生复合体的差异傅里叶分析电子密度图，三维结构通过表1、表2、表3、表4或表5的原子坐标数据或其选定的坐标而定义。差异傅里叶分析电子密度图随后可用于分析。

因此，此类复合体可结晶化并采用X线衍射方法进行分析，例如根据Greer et al.(J.of Medicinal Chemistry，Vol.37，(1994)，1035-1054)的方法，而差异傅里叶分析电子密度图可基于浸渗的或共结晶的solAC的X线衍射模式以及已解析的非复合的solAC的结构而计算。然后可对这些图进行分析，例如用于确定特定配体是否以及在何处结合于solAC和/或改变solAC的构象。

电子密度图可通过程序进行计算，例如来自CCP4计算软件包(Collaborative Computational Project 4.The CCP4 Suite：Programs forProtein Crystallography，Acta Crystallographica，D50，(1994)，760-763.)的那些程序。对于显示图以及建模而言，可使用例如“O”(Jones et al.ActaCrystallographica，A47，(1991)，110-119)的程序。

此外，根据本发明，solAC突变体可与已知的solAC配体或新的配体共结晶化于共复合体中。然后可通过分子置换解析一系列此类复合体的晶体结构，并与表1、表2、表3、表4或表5的solAC结构或其选定的坐标相比较。由此可以鉴定所述酶的不同结合位点内的用于修饰的潜在位点。这一信息为确定solAC和配体之间最高效的结合相互作用，例如，增强的疏水性相互作用，提供了一种额外的工具。

可采用熟知的X线衍射技术来研究上述所有的复合体，并对照1.5至3.5_分辨率的X线数据使其更加精确，达到R值为大约0.30，或者可采用较少使用的计算机软件，例如CNX(Brunger et al.CurrentOpinion in Structural Biology，Vol.8，Issue 5，October 1998，606-611，且可购自Accelrys，San Diego，CA)，and as described by Blundell et al，(1976)and Methods in Enzymology，vol.114&115，H.W.Wyckoff et al.eds.Academic Press(1985)。

这一信息因此可用于优化已知类型的solAC配体，且更重要的是，用于设计并合成新类型的solAC配体，特别是抑制剂或活化剂，以及用于设计具有改善的solAC相互作用的药物。

(ii)硅片上分析和设计

尽管本发明有助于确定包含solAC催化结构域和与所述solAC催化结构域相互作用的配体的真实晶体结构，但目前的计算技术提供了一种强有力的替代方法来满足产生此类晶体和分析衍射数据的需求。因此，本发明的一个特别优选的方面涉及基于计算机(“硅片上(in silico)”)的方法，其目的在于分析和开发与本发明的solAC结构相互作用的配体。

确定solAC催化结构域的三维结构提供了关于solAC的结合位点的重要信息，当与相似的酶进行比较时尤为如此。随后，例如通过为结合位点鉴定可能的结合配体的计算技术、通过实现药物设计的连接片段方法(linked-fragment approaches)、以及通过采用X线晶体学分析实现所结合的配体的鉴定和定位，这种信息可用于solAC配体的合理性设计和改进。下文对这些技术进行更加详细的讨论。

因此，作为确定solAC三维结构的结果，也可使用更纯粹的合理性药物设计计算技术来设计那些对其与solAC的相互作用有了更多了解的结构。关于这些技术的综述请参见例如Walters et al(Drug DiscoveryToday，Vol.3，No.4，(1998)，160-178；Abagyan，R.Totrov，M.Curr.Opin.Chem.Biol.2001，5，375-382)。例如，可运用自动化配体-受体对接程序(见例如Jones et al.in Current Opinion in Biotechnology，Vol.6，(1995)，652-656 and Halperin，I.Ma，B.Wolfson，H.Nussinov，R.Proteins 2002，47，409-443)，其需要靶受体的原子坐标的精确信息。

在此所述的在硅片上利用solAC结构的本发明的各个方面可同等适用于表1、表2、表3、表4或表5的solAC结构或其选定的坐标以及通过本发明的其他方面获得的靶腺苷酸环化酶蛋白模型。因此，通过上述方法确定了solAC的构象之后，该构象即可用于在此所述的基于计算机的合理性药物设计方法中。此外，得到solAC的结构将允许产生用于虚拟文库筛选或配体设计的具有高度预测性的药效团模型。

因此，本发明提供用于分析配体与solAC结构的相互作用的方法，其包括：

提供表1、表2、表3、表4或表5的solAC结构或其选定的坐标，所述solAC结构任选地有变化，但均方根差不超过1.5_；

提供待与所述solAC结构或其选定的坐标相适配的配体；和

使所述配体与所述solAC结构相适配。

本发明的这一方法广泛适用于对已知的solAC配体进行分析、开发或发现solAC配体、修饰solAC的配体，例如提高或改进它们的一或多个特性，等等。

实施本发明的方法时，可根据本领域已知的标准技术在计算机模型中再现表1、表2、表3、表4或表5的solAC结构或其选定的坐标。本领域人员熟习在这些方法中提供蛋白质三维图象的方法。合适的模型包括(a)线框模型(wire-frame model)；(b)网状模型(chicken-wire model)；(c)球棍模型；(d)空间填充模型；(e)棍状模型(stick-model)；(f)带状模型；(g)活动轮廓模型(snake model)；(h)箭头圆柱模型(arrow and cylindermodel)；(i)电子密度图；或(j)分子表面模型。

选定的坐标可来自表6至11中任一(例如表6、7或11)所列出的一些或全部氨基酸的一或多个侧链或主链原子，其中这些坐标的优选的数目和组合在本文其他部分描述。

在另一个方面，本发明的方法可利用solAC配体结合区域的感兴趣的原子的坐标，这些原子邻近推定的配体结构，例如位于催化区域的10-25_范围内，或位于结合的配体的5-10_范围内，以便构建所述结构结合于其中的袋的模型。这些坐标可用于定义一个空间，随后如上所述在硅片上对其进行分析。

实践中，希望构建的模型有足够数目的由表1、表2、表3、表4或表5的坐标或其选定的坐标所定义的solAC的原子，所述原子代表结合袋，例如表6至11中任一(例如表6、7或11)所鉴定的残基的原子。各表的优选的选定的坐标或来自两个或多个表的坐标的组合在本文其他部分描述。结合袋以及solAC与配体相互作用的其他特征在所附实施例中描述。

尽管solAC结合的每一种不同配体可与该蛋白质的结合袋的不同部分相互作用，但solAC的结构允许鉴定多个特定位点，它们可能参与solAC与候选药物之间相互作用的多个方面。表6至11，例如表6、7、或11，给出了所述残基。因此，在本发明的这一方面，选定的坐标可包括这些残基的一些或全部残基的坐标。各表的优选的选定的坐标或来自两个或多个表的坐标的组合在本文其他部分描述。

为了提供待与本发明的solAC结构相适配的配体的三维结构，可使用用于此目的的商品化软件来构建三维的配体结构，或者如果已经有了其晶体结构，可使用所述结构的坐标来提供用来与本发明的solAC结构进行适配的配体的图象。

可合成新设计的配体结构，可确定或预测它们与solAC的相互作用，这些新设计的结构如何被所述solAC结构结合。可重复这一方法以便进一步改变其与solAC的相互作用。

“适配(fitting)”指的是以自动或者半自动的方式确定候选分子的一或多个原子与本发明的solAC结构的至少一个原子之间的相互作用，并计算此类相互作用的温度程度。相互作用包括吸引和排斥、由电荷、空间、亲脂性等因素引起的，等等。可提供计算来构建此类电荷和空间相互作用的模型。此类计算的实例可通过力场，例如Amber(Cornell et al.A Second Generation力场for the Simulation of Proteins，Nucleic Acids，andOrganic Molecules，Journal of the American Chemical Society，(1995)，117(19)，5179-97)，其能够将部分电荷分配给蛋白质和配体上的原子，并使用Coulomb电势评价蛋白质和配体原子之间的静电相互作用能。Amber力场还可分配范德瓦耳斯能以评价两个原子之间的吸引性和排斥性空间相互作用。可采用多种方式构建亲脂性相互作用模型。例如，ChemScore功能(Eldridge M D；Murray C W；Auton T R；Paolini G V；Mee R P Empirical scoring functions：I.The development of a fast empiricalscoring function to estimate the binding affinityof ligands in receptorcomplexes，Journal of computer-aided molecular design(1997Sep)，11(5)，425-45)将蛋白质和配体原子分为疏水性或极性，两个疏水性原子之间的相互作用具有有利的能量期。评价疏水性对配体结合的作用的其他方法是本领域人员已知的。评价相互作用的其他方法是分子设计领域的人员已知的。在此将进一步描述基于计算机的适配方法。

更具体地，可通过使用计算机建模来检测配体与本发明的solAC结构的相互作用，使用的对接软件例如为GOLD(Jones et al.J.Mol.Biol.245，43-53(1 995)，Jones et al.J.Mol.Biol.267，727-748(1997))，GRAMM(Vakser，I.A.Proteins，Suppl.1：226-230(1997))，DOCK(Kuntz et al，(1982)J.Mol.Biol.161，269-288；Makino et al，(1997)J.Comput.Chem.18，1812-1825)，AUTODOCK(Goodsell et al，(1990)Proteins，8，195-202，Morris et al，(1998)J.Comput.Chem.19，1639-l662.)，FlexX，(Rarey et al，(1996)J.Mol.Biol.261，470-489)或ICM(Abagyan et al，(1994)J.Comput.Chem.15，488-506)。这一过程可包括用计算机将配体与solAC进行适配，以证实怎样的配体形状和化学结构将结合于solAC。

还可对solAC的活性位点结构进行计算机辅助的人工检测。可使用的软件例如为GRID(Goodford，(1985)J.Med.Chem.28，849-857)，该程序确定具有不同官能团的分子与酶表面之间的可能的相互作用位点，该程序也可用于分析活性位点以预测，例如，可能改变配体代谢率的修饰类型。

可使用计算机程序来估计两个结合配偶体(即solAC结构和配体)的吸引、排斥、和空间位阻。

如果表征了一个以上的solAC活性位点袋，并设计或选定了多个相应的较小的配体，则可通过将相应的小配体连接成更大的配体而形成配体，而其仍然保持各个配体在其活性位点的相应的位置和方向。可作为真实的分子或通过计算机建模而形成所述更大的配体。

然后可获得关于配体与solAC结合的更详细的结构信息，且基于这些信息可对配体的结构或功能性进行调整，例如改变其与solAC的相互作用。必要时，上述步骤可以重复并再重复。

在另一方面，本发明提供用于鉴定调变solAC活性的配体的方法，包括以下步骤：(a)使用表1、表2、表3、表4或表5的三维原子坐标数据或其选定的坐标，所述三维原子坐标数据任选地有变化，但均方根差不超过1.5_，以表征至少一种solAC结合位点且优选地多个solAC结合位点；(b)提供候选配体的结构；(c)将候选配体与所述一或多个结合位点进行适配；和(d)选择与所述一或多个位点适配的候选配体。

在一个实施方式中，筛选或探查多个候选配体与结合位点的相互作用。在一个实例中，步骤(b)包括提供候选配体的结构，然后将其中的每一个在步骤(c)中适配，以便在数据库中(如Cambridge StructuralDatabase)以计算方式筛选与结合位点相互作用的化合物，即可通过以计算方式筛选数据库中与结合位点相互作用的配体而选择候选配体(见Martin，J.Med.Chem.vol35，2145-2154(1992))。在另一个实例中，产生了配体的3-D描述符，该描述符包括例如来自结构以及结合腔的化学特性的几何学和功能约束。该描述符随后可用于探查化合物数据库，鉴定的配体是与该描述符的特征相匹配的化合物。实质上，该描述符是一类虚拟药效团。

如上所述，可与本发明的solAC结构适配的配体包括正在开发作为潜在药用物质的化合物。可适配这些物质以确定solAC的作用如何修饰该物质并提供用于候选配体建模的基础，所述候选配体例如与ATP竞争结合于solAC。

获得并表征本发明的配体化合物之后，本发明还提供调变solAC活性的方法，该方法包括：(a)在如下条件下提供solAC，所述条件为：在无配体的情况下，所述solAC能够结合于ATP；(b)提供配体化合物；和(c)确定在存在所述化合物的情况下，solAC结合ATP的能力(例如通过竞争)被改变的程度。

(iii)分析和修饰配体

如果已知配体调变或疑似调变solAC的作用，则可对配体的结构进行建模以更好地确定与配体相互作用的solAC的残基。本发明还提供预测可作用为solAC配体的其他配体的方法，该方法包括：

将所述配体与solAC催化结构域的三维结构或其选定的坐标相适配，所述三维结构由表1、表2、表3、表4或表5的坐标或其选定的坐标定义，所述坐标任选地有变化，但均方根差小于1.5_；

确定或预测所述配体结合于所述催化结构域的情况；和

修饰配体结构以便增强或降低其与催化结构域的相互作用。

典型地，修饰配体的目的是产生相对于初始配体更加有效的配体，或是产生具有更好药用可接受性的配体。

本领域人员能够理解，对结构的修饰将通常在硅片上发生，以允许对所修饰的结构与solAC相互作用的情况进行预测。

Greer et al.(Greer et al.(1994)，J.of Medicinal Chemistry，37，1035-1054)公开了一种配体设计的重复方法，其基于计算机建模的重复序列、蛋白质-配体复合体形成以及X线晶体学或NMR谱分析。由此Greer et al从头设计出了胸核苷酸合酶抑制剂，solAC配体也可以这种方式设计或修饰。更具体而言，在已解析的solAC结构上使用例如GRID，可设计互补solAC结合位点的功能性的solAC配体。或者，可修饰solAC配体以便其更好地或差一些地互补solAC结合位点的功能性。然后可以合成配体，与solAC形成复合体，然后提供X线结晶学分析复合体以鉴定所结合的配体的真实位置。必要时根据X线分析结果可随后调整配体的结构和/或官能团，然后重复合成和分析序列直至获得优化的配体。相关的基于结构的药物设计方法也可参见Bohacek et al.(1996)Medicinal Research Reviews，16，3-50。采用基于结构的药物设计来设计具有替代性solAC特性的配体也可考虑对第二种靶蛋白具有高亲和力的需求。Gschwend et al.(Gschwend et al.(1999)，.Bioorganic &Medicinal Chemistry Letters，9，307-312)和Bayley et al.(Bayley et al.(1997)Proteins：Structure，Function and Genetics，29，29-67)描述了采用基于结构的药物设计方法来降低与一种蛋白质的亲和力而保持与靶蛋白的亲和力。

所述修饰对于本领域人员是常规的，并包括：例如，取代或去除含有与本发明的solAC结构的氨基酸侧链基团相互作用的基团的残基。例如，置换可包括添加或去除基团以降低或提高测试化合物中基团的电荷，置换基团以增加或减小测试化合物中基团的大小，以带相反电荷的基团置换带电荷基团，或以亲水基团置换疏水基团或者反之亦然。可以理解这些仅仅是这一类型取代的实例，新药化合物研发中的医药化学家会对此加以考虑，根据初始化合物的特性和活性，也可进行其他修饰。

如果通过将初始配体适配于本发明的solAC结构并由此预测修饰的配体已经开发出一种有潜力的修饰配体，则本发明还包括合成所述修饰的配体以及在体内或体外生物学系统中对其进行测试的步骤，以便确定其活性和/或作为solAC配体的有效性。

本发明的上述方法可重复，因为修饰的配体本身可作为进一步配体设计的基础。上述方法还可用于修饰在solAC结合袋中与第二配体相互作用的配体。

(iv)分析结合袋区域内的配体

在一个实施方式中，本发明提供用于修饰配体结构的方法，所述方法包括：

将所述配体与solAC催化结构域三维结构或其选定的坐标进行适配，所述三维结构由表1、表2、表3、表4或表5的坐标或其选定的坐标定义，所述坐标任选地有变化，但均方根差小于1.5_；和

修饰配体结构以便增强或降低其与催化结构域的相互作用，

其中所述适配是针对配体结合区域，其被定义为包括表6至11中任一(例如表6、7、或11)给出的氨基酸残基的至少一个坐标。各表的优选的选定的坐标或来自两个或多个表的坐标的组合在本申请其他部分描述。典型地，修饰配体的目的是改善其抑制的有效性或药用可接受性。

为避免误解，术语“改善”的定义如前所述，而当这种配体开发出来之后，可如上所述合成并测试。

(vi)片段连接和生长

提供本发明的晶体结构还可允许基于片段连接或片段生长方法而开发出与solAC催化结构域的结合袋区域相互作用的配体(例如作为配体，特别是solAC的抑制剂或活化剂)。

例如，一或多个配体片段的结合可通过X线结晶学在蛋白质结合袋中确定。配体片段典型地是分子量在100和200Da之间的化合物(Carret al，(2002)Drug Discov Today.May 1；7(9)：522-7)。这些可作为医药化学的起始点，用于采用基于结构的方法优化相互作用。这些片段可在模板上组合或用作使配体“长出”进入蛋白质的袋内的起始点(Blundell etal；Nat Rev Drug Discov.(2002)Jan；1(1)：45-54)。片段可放置于solAC的结合袋内，然后“长成”充满可达到的空间，揭示静电、范德瓦耳斯或氢键相互作用参与分子识别。因此，采用重复性基于结构的化学合成法，原本仅微弱结合的片段的效力被迅速提高。

在片段生长方法的一或多个阶段，可合成配体并在生物学系统内测试其活性。这可用于指导片段的进一步长出。

如果鉴定了两个片段结合区域，可基于连接片段方法试图直接连接两个片段，或如上所述生长一个或两个片段以获得更长的、连接的结构，其可具有所需的特性。

连接片段方法可用于例如设计占据ATP结合位点和碳酸氢根结合位点的配体。该配体占据至少两个位点的部分，与仅占据ATP结合位点的配体相比，其对solAC可具有更好的选择性。

如果确定了两个或多个配体的结合位点，可将它们连接以形成潜在的前导化合物，可使用例如Greer et al的重复技术使其进一步精确。虚拟的连接片段方法可参见Verlinde et al.(Verlinde et al.(1992)J.ofComputer-Aided Molecular Design，6，131-147)，而NMR和X线方法可参见Shuker et al.(Shuker et al.(1996)Science，274，1531-1534)和Stout et al.(Stout et al.(1998)Structure，6，839-848)。solAC结构的确定使得采用这些方法来设计solAC配体成为可能。

(vii)本发明的化合物

如果根就本发明的方法鉴定到了本发明的solAC催化结构域结构的潜在配体，则本发明还包括合成所鉴定的配体并在体内和体外生物学系统中对其进行测试，以确定其活性和/或有效性。

本发明在这一方面优选地还包括以下步骤：

获得或合成配体；和

使候选配体与solAC接触以确定候选配体与solAC相互作用的能力。

例如，在上述的接触步骤中，使候选配体与solAC在存在底物(通常是ATP)以及典型地缓冲剂的条件下接触，以确定所述候选配体结合solAC，例如抑制solAC的能力。此类方法之一是基于免疫分析的HTRF，其中solAC产生的cAMP和XL-665-标记的cAMP竞争性结合抗cAMP抗体，其标记了Eu-cryptate(http://www.htrf-assays.com；Gabriel D，Vernier M，Pfeifer MJ，Dasen B，Tenaillon L，Bouhelal R.(2003)Assay&Drug Dev.Techno1.2：291-303)。因此，例如，可产生solAC的分析混合物，其包括候选配体、底物和缓冲剂。

更优选地，在后面的步骤中，将候选配体与solAC在用于确定其功能的条件下接触。

或者，或额外地，所述方法还可包括以下步骤：

获得或合成所述配体；

形成solAC蛋白或其催化结构域与所述配体的复合体；和

提供X线结晶学分析所述复合体以确定所述配体与solAC相互作用的能力或其催化结构域。

这些步骤可用于在导致设计进一步的配体的重复方法中鉴定能够适配于本发明的结构的配体。

例如，在上述接触步骤中，使候选配体与solAC在存在底物以及典型地缓冲剂的条件下接触，以确定所述候选配体结合solAC，例如抑制solAC的能力。因此，例如，可产生solAC的分析混合物，其包括候选配体、底物和缓冲剂。

在另一方面，本发明包括化合物，其是通过在此所述的本发明的方法鉴定的solAC配体。

鉴定这种化合物后，可生产和/或将其用于制备，即制造或者配制，组合物，例如药剂、药物组合物或药物。这些可施用于个体。

因此，本发明在各方面不仅延伸至本发明的化合物，也延伸至药物组合物、药物、药剂或其他包含该化合物的组合物。所述组合物可用于治疗(其可以包括预防性治疗)疾病例如癌症、炎症、骨质疏散症、糖尿病、青光眼或不育症。该组合物也可用于避孕方法，例如用于抑制精子运动或受孕过程。

术语“治疗”在此就治疗疾病或病症而言，广泛涉及处理和治疗，无论是人还是动物(例如在兽医学中)，在其中达到了某种所需的治疗效果，例如，抑制病症的进展、且包括进展速度降低、中断其进展、病症减轻、以及疾病或病症的治愈。本发明还包括作为预防措施的治疗(即预防)。

术语“治疗有效量”在此涉及一种活性化合物或者物质、组合物或包括活性化合物的剂量形式的量，当以合适的治疗方案施用时，其能够有效产生某些所需的治疗效果，相称的合理的获益/风险比。

术语“治疗”包括治疗的组合，其中两个或多个处理或治疗相组合，例如，贯序地或同时地。

本发明的化合物或者根据本发明获得的化合物包括作为solAC活性的抑制剂的化合物。因此，预期它们可用于提供防止和/或实现精子运动和运动过度(hypermotility)获能和顶体反应。因此预期所述化合物可被证实可用于治疗一些形式的雄性不育或无精和/或防止卵母细胞受孕和怀孕。

可治疗的癌症的实例包括但不限于癌，例如膀胱、乳腺、结肠(例如结直肠癌如结肠腺癌和结肠腺瘤)、肾脏、表皮(epidermus)、肝脏、肺例如腺癌、小细胞肺癌和非小细胞肺癌、食道、胆囊、卵巢、胰腺例如外分泌胰腺癌、胃、宫颈、甲状腺、前列腺或者皮肤例如鳞状细胞癌；淋巴系造血系统肿瘤，例如白血病、急性淋巴细胞白血病、B细胞淋巴瘤、T细胞淋巴瘤、霍奇金淋巴瘤、非霍奇金淋巴瘤、毛细胞淋巴瘤或Burkett淋巴瘤；髓系造血系统肿瘤，例如急性和慢性髓性白血病、骨髓异常增生综合征、或前髓性白血病；多发性骨髓瘤；甲状腺滤泡癌；间充质来源的肿瘤，例如纤维肉瘤或habdomyosarcoma；中枢或外周神经系统肿瘤，例如星形细胞瘤、神经母细胞瘤、胶质瘤或许旺细胞瘤；黑素瘤；精原细胞瘤；畸胎癌；骨肉瘤；xenoderoma pigmentoum；角质囊肿(keratoctanthoma)；或Kaposi肉瘤。

可通过抑制solAC而减轻的炎性疾病或病症包括但不限于类风湿性关节炎、骨关节炎、类风湿性脊柱炎、痛风性关节炎、创伤性关节炎、风疹性关节炎、牛皮癣关节炎以及其他关节疾病；Alzheimer病；中毒休克综合征、外毒素引起的炎性反应或炎性肠病；结核、动脉硬化肌肉萎缩、Reiter综合征、痛风、急性滑膜炎、败血症、败血症休克、内毒素休克、革兰氏阴性细菌败血症、成人呼吸窘迫综合征、脑型疟疾、慢性肺炎症疾病、矽肺、肺结节病、骨重吸收疾病、再灌注损伤、移植物抗宿主病、同种异体移植排斥反应、感染例如流感引起的发热和肌痛、恶病质、特别是继发于感染或恶性疾病的恶病质、继发于获得性免疫缺陷综合征(AIDS)的恶病质、AIDS、ARC(AIDS相关复合体)、疤痕形成、疤痕组织形成、Crohn氏病、溃疡性结肠炎、pyresis、慢性阻塞性肺疾病(COPD)、急性呼吸窘迫综合征(ARDS)、哮喘、肺纤维化和细菌性肺炎。

特别有价值的是用于治疗或预防炎性疾病和病症，类风湿性关节炎和骨关节炎的化合物。

因此本发明提供对上述疾病的治疗，其中所述治疗可包括给患者施用一组合物，所述组合物包含根据本发明获得的化合物，例如用于治疗疾病；提供了所述化合物，例如solAC抑制剂，在制备组合物中的用途，所述组合物用于施用，例如用于治疗疾病；和制备药物组合物的方法，所述方法包括将该化合物与药用可接受的稀释剂、运载体或载体、以及任选地其他成分混合。

因此，本发明另一方面提供制备药剂、药物组合物或药物的方法，所述方法包括：(a)通过在此所述的本发明的其他方面之任一的方法鉴定或修饰化合物；(b)优化所述化合物的结构；和(c)制备含有所述优化的化合物的药剂、药物组合物或药物。

本发明的上述方法可以重复，因为修饰的化合物本身可以作为进一步设计化合物的起始点。

“优化结构”指的是例如添加分子构架、添加或改变官能团、或连接分子与其他分子(例如采用片段连接方法)，由此使得配体分子的化学结构发生改变但其最初的调变功能性得以保留或增强。此类优化在药物研发过程中是常规进行的，以便使得前导化合物例如增强效力、提高药用可接受性、增强化学稳定性等等。

修饰对于本领域人员是常规的，并包括：例如，取代或去除含有与本发明的solAC结构的氨基酸侧链基团相互作用的基团的残基。例如，置换可包括添加或去除基团以降低或提高测试化合物中基团的电荷，置换基团以增加或减小测试化合物中基团的大小，以带相反电荷的基团置换带电荷基团，或以亲水基团置换疏水基团或者反之亦然。可以理解这些仅仅是这一类型取代的实例，新药化合物研发中的医药化学家会对此加以考虑，根据初始化合物的特性和活性，也可进行其他修饰。

组合物可配制为用于任何合适的施用途径和方式。药用可接受载体或稀释剂包括那些适合于口服、直肠内、鼻内、局部(包含服和舌下)、阴道内或胃肠外(包括皮下、肌肉、静脉、皮内、鞘内和硬膜外)施用的制剂中使用的那些。这些制剂可以是剂量单位的形式，并可以通过药学领域熟知的任何方法制备。

对于固体组合物，常规的无毒固相载体包括，例如，可使用药用级甘露醇、乳糖、纤维素、纤维素衍生物、淀粉、硬脂酸镁、糖精钠、滑石粉、葡萄糖、蔗糖、碳酸镁等等。液体药用可施用组合物可，例如，通过将上述活性化合物和任选的药用佐剂溶解、分散于载体，例如，水、糖盐水、甘油、乙醇等等，由此形成溶液或悬液。需要的话，待施用的药物组合物还可含有少量的无毒性辅助物质，例如湿化剂或乳化剂、pH缓冲剂等等，例如，醋酸钠、月桂山梨坦、  三羟乙基胺醋酸钠、月桂山梨坦、三乙醇胺油酸酯等等。制备此类剂量形式的实际方法是本领域人员已知的，或者是显而易见的；例如，见Remington：TheScience and Practice of Pharmacy”，20th Edition，2000，pub.Lippincott，Williams&Wilkins。

通过以下实施例举例说明本发明：

实施例

为了获得能够用于确定solAC三维结构的多肽(或蛋白质)，可通过总基因合成或者克隆而获得编码solAC的DNA。然后将该DNA在合适的表达系统中表达以获得能够用于确定其三维结构的技术中的多肽。

SolAC的克隆、表达和纯化概述

为了表达纯化solAC用于结构研究，制备了大量不同的构建体，用于在大肠杆菌和昆虫细胞中表达。在下面的具体实施例中描述了优选构建体(即2056)的表达。经过对大量构建体和表达及纯化条件的深入研究，获得了该构建体的表达和回收条件。

该构建体包括1和469位残基之间的solAC蛋白的全部或部分以及N端或C端标签。C端标签为Tobacco Etch Virus(TEV)Protease-cleavable-GST或TEV-cleavable-His6标签。在一些构建体中，His6标签也用于C端。表14给出了经分析的构建体。

表14：

	构建体	构建体描述
			1	2022	TEV-Cleavable-GST---1-469
2	2021	TEV-Cleavable-GST---1-469---His6
			3	2023	TEV-Cleavable-His6---1-469
4	2056	1-469---His6
			5	2024	TEV-Cleavable-His6---13---469
6	2026	TEV-Cleavable-His6---36---469
			7	2025	TEV-Cleavable-His6---27---469
8	2027	1-469
			9	2044	TEV-Cleavable-His6---1---245
10	2032	255-469----His6
			11	2033	TEV-Cleavable-His6---1-469
12		1-469----His6
			13	2100	TEV-Cleavable-His6---13---469
14	2101	TEV-Cleavable-His6---36---469
			15	2102	TEV-Cleavable-His6---27---469

构建体1-8用于在杆状病毒表达系统中表达，而9-15用于在大肠杆菌中表达。

大肠杆菌构建体

诱导后，当温度维持于30至37℃之间时，所有构建体均表达为包涵体。诱导后将温度降低直至15℃试图达到可溶性表达，这产生了一些可溶性表达，但使用抗SAC抗体的western印记分析发现所有构建体均有严重的蛋白酶降解。使用Bieger(Bieger，B.and Essen，L-O.(2000)Acta Cryst.D56，359-362)的布鲁斯锥虫AC方案作为初始点获得构建体2033的包涵体制备物。

简言之，悬浮细胞(主要为构建体2033)，超声裂解并离心澄清。重悬包涵体沉淀并充分洗涤，然后重新溶解于6M GuHCl或8M尿素。所有缓冲液主要为Tris HCl pH8.0，Hepes，pH8.0或PBS，pH7.6。用于洗涤的去垢剂为Triton 100。使用Ni-NTA和无镍固定化金属亲和层析(IMAC)树脂TALON^TM(Clontech，Mountain View，CA)柱，在变性条件下捕获感兴趣的蛋白质。使变性的稳定化蛋白质相对于10mMNaH₂PO₄/Na₂HPO₄ pH7.6，0.3M NaCl，0.4M精氨酸，10％甘油透析2小时，使得大部分污染物留在溶液中，而感兴趣的蛋白质自溶液中沉淀出。再溶解的solAC蛋白被用于8×96条件下的再折叠筛中。确定了一组产生再折叠的活性蛋白质的条件，例如：50mM HEPES pH7.2，0.5M精氨酸，0.3M NaCl，5mM BME和10％甘油。这产生了折叠的活性蛋白质，然后其被施加于Ni-NTA柱，用于进一步纯化。蛋白质的产率很低，因此进一步研究主要集中在昆虫细胞表达。

杆状病毒构建体

由于其在试验中有活性并且有能力，因此工作主要集中围绕着文献中的构建体。然而，也大量关注着发表的低表达产量和缺乏纯化先例。在Sf9和High Five^TM细胞中测试solAC构建体的表达，并显示在后者中更佳。

N端GST标签solAC构建体(2022)在GST和solAC结构域之间的连接子中包含工程化的TEV切割位点。首先在PBS、10％甘油、2mMBME中悬浮细胞，在冰上超声裂解，并通过离心进行澄清。通过离心再次澄清上清液，在集中管几分钟内它变得半透明或不透明。沉淀物的SDS PAGE和蛋白质印记分析表明完整的和蛋白水解切割的sAC占据沉淀物的大部分。通过在4℃和室温(约20℃)两个温度时检测缓冲液的范围来寻求稳定裂解物的策略。这些缓冲液列在下表15中。

表15：

50mM乙酸钠pH4.5
	50mM乙酸钠pH4.5；0.1％Triton
50mM乙酸钠pH4.5；0.3M NaCl
	50mM乙酸钠pH4.5；0.5M NaCl
50mM Mes pH6.5
	50mM Mes pH6.5；0.1％正-丁基吡喃葡萄糖苷
50mM HEPES pH7.5
	50mM HEPES pH7.5；0.5M NaCl
50mM HEPES pH7.5；1mM月桂酰麦芽糖苷
	50mM Tris pH8.5
50mM Tris pH8.5；0.5M NaCl
	50mM Tris pH8.5；0.1％正-丁基吡喃葡萄糖苷

对于所有的缓冲液，将～2g细胞悬浮于5ml的各缓冲液，并传过一冷冻解冻循环以将其碎裂。记录悬浮液“阴沉”或沉淀的倾向。当pH在7.5-8.5、温度保持在4℃并存在0.3M或0.5M NaCl时，得到最佳结果。观察到去垢剂具有有害的作用。以PBS进行的单独的实验表明这种缓冲液的稳定性问题。

发现最佳条件为50mM Tris pH7.5(4℃时测得)；0.3M NaCl；10％甘油；和2-5mM BME。

构建体2056既有C端六组氨酸标签，这允许使用Ni-NTA树脂来捕获蛋白质。使用TALON^TM柱未改进捕获。虽然选择缓冲液显著第帮助稳定裂解物，然而需要慢流速以允许足够的与树脂的接触时间仍然引起困难，导致通过DEAE柱执行预清除步骤。为此，将细胞悬浮于极低盐缓冲液，裂解，并澄清和施用于DEAE柱。裂解物的传导率必须保持在很低，因为目标蛋白微弱地结合基体。不能做到这一点会引起不良的捕获。在第一步，通过两级梯度、以构建体2022和2056进行洗脱。多数容易沉淀的污染物不能结合该柱。聚集流分，并在应用于Ni-NTA柱或谷胱甘肽琼脂糖4b柱前，将NaCl浓度调节至300mM。加入该步骤实现了在后续步骤中的慢流速，这导致酶的较高回收。稍后，我们也能够在高盐缓冲液中澄清、裂解细胞后直接地成批结合Ni-NTA快流树脂。

从含流分的solAC-2056除去咪唑是成功回收蛋白质的关键部分。一旦建立了Ni-NTA洗脱的重现性，蛋白质池就会缓冲交换成50mM TrispH7.5(4℃)、30mM NaCl、10％甘油和1mM BME以应用于资源Q柱。在低盐中的蛋白质的滞留期保持在最小，因为在该步骤中经历最高的蛋白质产量的损失，即高达50％的蛋白质损失。观察到通过pH资源Q步骤进行良好，并且发现在该步骤中缓冲液的传导性极其重要。如果这些参数之一改变，那么蛋白质不能结合，或者凝胶上的纯化谱显示没有改进。纯化的最后步骤起到将蛋白质置于我们发现的最稳定的缓冲液中的作用，所述缓冲液为：50mM Tris pH 7.5(4℃)、330mM NaCl、10％甘油、1mM BME。

尽管结晶化设定为10mg/ml，蛋白质可以没有任何超过40mg/ml的聚集的迹象进行浓缩。

令人惊奇的是，尽管2022和2056构建体具有相似性(TEV裂解后2022仅在N末端差几个氨基酸残基，并且在C端没有His6标签)，2022在5mg/ml或更高的浓度时寡聚，而2056在高达40mg/ml时仍为单体。

solAC-2056的克隆、表达和纯化

编码全长solAC(核苷酸NM 018417 SwissProt)的表达载体pCDNA3.1用作PCR扩增的模板。

solAC-2056的克隆

使用PCR扩增构建体M1-V469。

5’引物：

5’GGGGACAAGTTTGTACAAAAAAGCAGGCTCCATGAACACTC

CAAAAGAAGAATTCCAGGACTGG3’(SEQ ID NO：1)

携带attB1识别序列，序列对应于碱基1-11。

3’引物

5’GGGGACCACTTTGTACAAGAAAGCTGGGTTCAGTGGTGGTG

GTGGTGGTGGACTTTCTCAGTACGGCCC3’(SEQ ID NO：2)

引入对应于碱基463-469的序列，一个6his c端标签、一个终止密码子和attB2识别位点。

PCR反应试剂：10μl Thermopol缓冲液10X，2μl dNTP混合物，1μlDNA模板，1μl5’引物，1μl3’引物，1μlVent。反应加入H₂O定为100μl。

PCR循环：25个循环的94℃30秒、55℃1分钟、72℃3分钟，然后在72℃延伸10分钟。

使用Gateway克隆技术的BP反应，将1407-bp片段重组到进入载体pDONR中。

将部分产物转化到DH5α能细胞中。从在卡那霉素选择平板上培养的细菌中提取质粒。在通过Gateway克隆技术的LR反应将所述克隆转移到目的载体pDEST8之前，通过DNA测序证实序列。将部分产物转化到DH5α能细胞中。从在羧苄青霉素选择平板上培养的细菌中提取质粒。在开始表达蛋白质之前，通过DNA测序证实序列。

solAC-2056的蛋白质序列为：

MNTPKEEFQDWPIVRIAAHLPDLIVYGHF SPERPFMDYFDGVLMF

VDISGFTAMTEKFSSAMYMDRGAEQLVEILNYHISAIVEKVLIFGGDIL

KFAGDALLALWRVERKQLKNIITVVIKCSLEIHGLFETQEWEEGLDIRV

KIGLAAGHISMLVFGDETHSHFLVIGQAVDDVRLAQNMAQMNDVILS

PNCWQLCDRSMIEIESVPDQRAVKVNFLKPPPNFNFDEFFTKCTTFMH

YYPSGEHKNLLRLACTLKPDPELEMSLQKYVMESILKQIDNKQLQGY

LSELRPVTIVFVNLMFEDQDKAEEIGPAIQDAYMHITSVLKIFQGQINK

VFMFDKGCSFLCVFGFPGEKVPDELTHALECAMDIFDFCSQVHKIQTV

SIGVASGIVFCGIVGHTVRHEYTVIGQKVNLAARMMMYYPGIVTCDS

VTYNGSNLPAYFFKELPKKVMKGVADSGPLYQYWGRTEKVHHHHHH

(SEQ ID NO：3)

6His标签在该构建体中是不可裂解的。

solAC-2056的蛋白质制备

以下列方式制备solAC-2056的重组病毒。简言之，将编码相关基因的pDEST8载体转化到含杆状病毒基因组(Bacmid DNA)的大肠杆菌DH10BAC细胞中。通过细胞中的转座事件，将包含所述基因和包含杆状病毒多角体启动子的庆大霉素抗性基因的pDEST8载体直接转座到Bacmid DNA中。通过在庆大霉素、卡那霉素、四环素和Bluo-gal上进行筛选，所得的白色集落应含有编码相关基因的重组bacmid DNA。从白色DH10BAC细胞培养物提取Bacmid DNA，并按照制造商的说明书转染到培养于SF900 II无血清培养基中的草地贪夜蛾(Spodopterafrugiperda)Sf9细胞中。感染后72小时收集病毒粒子。将1ml部分收集的病毒粒子用于感染含1×10⁶细胞/ml的100ml sf9细胞。在感染后72小时收集细胞培养物培养基。

在EX-Cell 405(JRH)无血清培养基中将Hi5昆虫细胞培养至密度为1×10⁶细胞/ml。将5ml部分病毒原液加入各升Hi 5细胞。将培养物在27℃温育48-72小时。通过在4000rpm离心8分钟收集细胞。在-80℃冷冻沉淀物。

solAC-2056的蛋白质纯化

除非另有说明，在4℃进行所有步骤。细胞沉淀物在冰上解冻，并重悬浮于裂解缓冲液(50mM Tris pH 7.5，300mM NaCl，10％甘油，2mMBME，蛋白酶抑制剂cocktail(Calbiochem)。超声裂解细胞，并在4℃用Dnase温育裂解物1小时。以14,000或25,000rpm离心1小时澄清裂解物。按照前述步骤通过离心进一步澄清已澄清的裂解物，然后在应用于以批量结合模式以Ni²⁺预荷电的金属螯合基体(GE Healthcare)之前，通过0.45μm过滤器。将所述树脂或基体倾注到柱中，并通过加入含250mM咪唑的裂解缓冲液洗脱solAC蛋白。通过SDS PAGE分析流分，富集含solAC蛋白的流分。通过应用于在50mM Tris pH7.5，30mMNaCl，10％甘油，5mM BME中平衡的G25-脱盐柱，将富集的蛋白质缓冲交换至低盐中。然后将缓冲交换的solAC蛋白施加到6ml Resource Q阳离子交换(GE Healthcare)柱，并使用0-30％1M NaCl的梯度在20个柱提及上进行洗脱。通过SDS PAGE分析流分，富集含solAC蛋白的流分，并施加到在50mM Tris、pH7.5、330mM NaCl、10％甘油、5mM BME中预平衡的26/60 superdex-75凝胶过滤柱。通过SDS PAGE分析流分。富集SolAC流分，并使用vivaspin 2离心浓缩器(HY)将其浓缩至终浓度为～10mg/ml。

solAC-205 6的替代性纯化

除非另有说明，所有步骤均在4℃进行。在冰上解冻细胞沉淀物，并重悬浮于裂解缓冲液(50mM Tris pH7.5，10％甘油，2mM BME，蛋白酶抑制剂cocktail(Calbiochem)。超声裂解细胞，并在4℃用Dnase温育裂解物1小时。以14,000或25,000rpm离心1小时澄清裂解物。按照前述步骤通过离心进一步澄清已澄清的裂解物，然后在施加到DEAE阳离子交换树脂之前，通过0.45μm过滤器。通过15和30％级梯度的NaCl洗脱所述蛋白质。富集15％峰，将富集的蛋白质的NaCl浓度提高到300mM，然后应用于以Ni²⁺预荷电，并在50mM Tis pH7.5、300mMNaCl、10％甘油、2mM BME中平衡的金属螯合的、通常5ml Hi-trap柱(GE Healthcare)。通过加入含250mM咪唑的平衡缓冲液洗脱solAC蛋白。通过SDS PAGE分析流分，并富集含solAC蛋白的流分。通过应用于在50mM Tris pH7.5、30mM NaCl、10％甘油、5mM BME中平衡的G25-脱盐柱，将富集的蛋白质缓冲交换到低盐中。然后将缓冲交换的solAC蛋白应用于6ml Resource Q阳离子交换(GE Healthcare)柱，并使用0-30％1M NaCl的梯度在20个柱体积上进行洗脱。通过SDS PAGE分析流分，富集含solAC蛋白的流分，并施加到在50mM Tris、pH7.5、330mM NaCl、10％甘油、5mM BME中预平衡的26/60 superdex-75凝胶过滤柱。通过SDS PAGE分析流分。富集SolAC流分，并使用vivaspin2离心浓缩器(HY)将其浓缩至终浓度为～10mg/ml。

可溶性腺苷酸环化酶的蛋白质结晶化

使用市售微批量(microbatch)结晶化筛通过坐式生长或悬滴蒸汽扩散法生长人类solAC的警惕。对于一定范围的条件，发现晶体从200mM柠檬酸盐(例如，钠、钾、铵)和20％PEG3350生长。这些晶体形状矮胖，但很小。从这些晶体的衍射不良，并达到最大分辨率为6.0埃。因此，有必要发现不同的条件来得到可以尺寸和分辨率可接受的晶体。

在初筛中获得的晶体从没有缓冲的溶液生长。在进一步各轮筛选中，使用悬滴蒸汽扩散法，发现使用pH4.6-5.2的缓冲液改进了晶体生长。

对于晶体平衡的溶液的最终的pH在pH6.0-6.4变化。在另一轮筛选中，柠檬酸盐的浓度保持恒定于0.2M柠檬酸三钠，同事改变PEG的浓度和分子量。发现使用浓度在10-20％之间的PEG4000改进了结晶化。

最佳晶体出现在16％PEG4K，然而，其质量不一致，并且其尺寸在最长尺度上在0.05mM至0.2mM之间变化。这些晶体中最佳者衍射至分辨率为2.3埃。

因此需要进一步忧患。在50mM Tris/HCl、pH7.5、330mM NaCl、2mMβ巯基乙醇和10％甘油将蛋白质浓缩至～10mg/ml。以1∶1体积混合物，将蛋白质溶液与0.1M醋酸钠、pH 4.8、0.2M柠檬酸三钠、16-18％PEG4K和10％甘油的储备液混合。通过悬滴蒸汽扩散在4℃生长晶体。

3-6天后晶体以液滴出现，并在14天后达到最大尺寸0.5×0.1×0.1mm。使用微引晶方法进一步改进晶度和质量的抑制性。通过在0.1M醋酸钠、pH4.8，0.2M柠檬酸三钠、14％PEG4K、2mMβ巯基乙醇和10％甘油的溶液中粉碎solAC晶体制备种子储备。通过试行结晶化运转(trial crystallization run)，达到种子储备的最佳稀释，其中使用1/100、1/10000、1/100,000和1/1000,000稀释的种子储备设立盘。

通过在滑盖上混合等体积(通常1μl+1μl)的蛋白质溶液和种子储备设立结晶化的盘。将其置于含0.1M醋酸钠、pH4.8、0.2M柠檬酸三钠、14％PEG4K和10％甘油的孔上。所需的稀释依蛋白质批次变化。

晶体在空间群P6₃内生长，晶胞大小为a＝b＝99.15_，c＝97.51_。

为了在低温时收集数据期间保存晶体，简单地将solAC的晶体转移到含0.1M醋酸钠、pH4.8、0.2M柠檬酸三钠、30％PEG4K和10％甘油的低温缓冲液。将晶体由该溶液投入液氮中，并储存，用于后续的数据收集。

数据收集和处理

使用Jupiter CCD探测器或RAXIS HTC图象平板探测器收集用于解析solAC结构的衍射数据。两者均放置于Rigaku旋转阳极发生器上。在European Synchrotron Radiation facility的Beamline ID29-1上收集用于将solAC结构精确至1.7_的高分辨率数据，使用的是ADSC Quantum4CCD探测器，波长为0.934_，并以MOSFLM(Leslie，A.G.W.(1992).InJoint CCP4 and EESF-EA CMB Newsletter onProtein Crystallography，vol.26，Warrington，Daresbury Laboratory)处理数据。使用SCALA(CCP4-Collaborative Computational Project 4.(1994)The CCP4 Suite：Programs forProtein Crystallography.Acta Crystallographica D50，760-763)对数据进行评级，使用TRUNCATE(Evans，P.R.(1997).Scaling of MAD data.InRecent Advances in Phasing(ed.K.S.Wilson，G.Davies，A.W.Ashton and S.Bailey)，pp.97-102.Council for the Central Laboratory of the ResearchCouncils Daresbury Laboratory，Daresbury，UK)从CCP4程序组(CCP4-Collaborative Computational Project 4.(1994)The CCP4 Suite：Programs forProtein Crystallography.Acta Crystallographica D50，760-763)将强度转化为结构因子幅度。

确定结构和精确化

采用多种同晶置换来解析可溶性腺苷酸环化酶的结构。通过将含重金属的化合物溶解于溶液(溶液的组成为0.1M醋酸钠，pH4.8，0.2M柠檬酸三钠，16％PEG4K和10％甘油)中制备多种重金属溶液。然后将solAC晶体置于溶液中，平衡不同长度的时间(2分钟至5天)。许多这些溶液损害晶体，导致浸渗的晶体完全丧失衍射至与原晶体缺乏同晶型性等效应。

在大量浸渗(＞100)中，31个晶体得到了可用数据，其中的5个得到能够用于分析并解析重原子的位置和占用的衍生物。采用差异模式方法获得重原子最初的位置，将其用于以MLPHARE的初步定相(CCP4程序组)，采用差异傅里叶分析图定位额外的位点。对5个可用衍生物重复这些步骤，然后采用差异傅里叶分析对它们进行交叉验证，以确保所有重原子溶液均为相同来源。

因此，使用5个衍生物获得了相(见表16)，然后采用溶剂平化(Solomon)和ARP/WARP循环对它们进行改进。然后将可溶性腺苷酸环化酶的序列构建为所得到的电子密度图。经过多轮重建和精确化(采用QUANTA，REFMAC和CNX)，最初在2.3_，使用的是内部数据，最后在1.7_，使用的是同步加速器数据，最终的可溶性腺苷酸环化酶模型由1-468位残基组成，具有2个缺口(残基135-140和350-356)。所得结构见表1。

表16：用于解析solAC结构的重原子衍生物

化合物	浓度/mM	浸渗时间	位点数目(大/小)	分辨率/埃	Riso	定相力
							thimersal	0.05	2.5小时	4	2.5	0.18	0.98
碘化钾	150	2分钟	2	2.5	0.24	0.62
							二氯乙烯二胺铂	饱和	5.5小时	1(3)	2.2	0.12	0.57
Ammoniumtertrabromoosmate	1	3天	4	2.8	0.24	0.66
							三甲基醋酸铅	10	3天	3	3.0	0.22	0.89

描述apo可溶性腺苷酸环化酶的结构

可溶性腺苷酸环化酶的催化结构域的结构如表1的坐标所示。残基Met1是在电子密度中能够观察到的第一个残基，而Lys468是最后一个。靠近Met1的主链氮原子的电子密度峰可能是乙酰化引起的，没有被建模。不具有可判断的主链密度的残基是Trp135，Glu136，Glu137，Gly138，Leu139，Asp140，Phe350，Pro351，Gly352，Glu353，Lys354，Val355和Pro356。残基Val469和C端His₆-标签在电子密度中是不可见的。靠近134位的首个断点的主链定义不清楚，而残基132-134具有不均匀的主链电子密度。残基304-306和451-455的电子密度的定义不清楚。此外，模型周边的一些残基的侧链被主观放置，因为它们没有可判断的密度。

solAC的活性位点

solAC与来自钝顶螺旋藻的酶相比强烈提示solAC仅具有一个活性位点，其相应于由来自钝顶螺旋藻B单体的A-链残基1140、含环的B-链残基1061和形成螺旋α1的残基形成的位点。可能相应于钝顶螺旋藻的A单体的第二个位点不存在螺旋α1。相应于A单体的2和3的β-链在solAC中更长，且部分遮掩腺苷结合位点，其开口显著小于对称相关的相应位点。表6给出了活性位点区域的残基，它们被认为与底物相互作用。

制备与配体相复合的solAC晶体

在浸渗溶液中制备200mM α-β-亚甲基腺苷5’-三磷酸酯，40mMCaCl₂和40mM MnCl₂溶液。浸渗溶液的组成为0.1M醋酸钠，pH4.8，0.2M柠檬酸三钠，16％PEG4K和10％甘油。将先前生长的solAC催化结构域晶体置于20μL的配体浸渗溶液中并平衡3天。然后将晶体移至防冻液中并在液氮中冷冻，准备用于收集数据。

配体复合体的数据收集、结构解析和精确化

采用设置于自制X线源上的RAXIS HTC收集solAC催化结构域/配体复合体的衍射数据。将先前解析的solAC催化结构域结构作为用于精确化的初始模型。进行刚体和受约束的精确化并计算差异图谱。将配体分子，即α-β-亚甲基腺苷5’-三磷酸酯，构建到差异密度中，随后进行数轮精确化。

solAC配体复合体的描述

与solAC相复合的α，β-亚甲基ATP的结构显示出一种相互作用的模式，这与在钝顶螺旋藻中所见的极为相似。大部分相互作用出现在磷酸根基团、金属离子和所述蛋白质之间。腺嘌呤基团在Val406的N6氨基和主链羰基之间形成氢键，在Asn412的N7和OD1形成水介导的相互作用。核糖基团不与蛋白质形成氢键。大部分相互作用出现于磷酸根基团、推定的金属结合位点和蛋白质之间。残基Asp99、Asp47的侧链、Ile48的羰基、β和γ磷酸根的氧原子和水分子与金属离子相互作用。Arg416与来自α磷酸根的氧相互作用。来自γ磷酸根的氧原子与Thr52的OG和Thr52及Phe51的主链氮原子相互作用。

结合配体后，发现残基48-58的区域出现某种重排，该区域相应于螺旋α1以及连接β1和α1的环。含有残基96至101的该环发生了一种协调运动，使得残基99的Cα移动了3.5_。

其他solAC-配体复合体

solAC的HCO₃ ^-结合位点

SolAC是唯一已知的其活性被HCO₃ ^-直接调节的蛋白质。以碳酸氢钠浸渗solAC晶体发现了HCO₃ ^-结合位点的位置。HCO₃ ^-离子的结合由氢键和静电相互作用的网络介导，如图2所示：1)Lys95的NZ与HCO₃ ^-的O1形成盐桥，2)Val167的主链NH与HCO₃ ^-的O1形成带电氢键，3)Val167的主链羰基与HCO₃ ^-的OH形成氢键，4)Arg176的侧链NH2与HCO₃ ^-的O3形成盐桥，而5)Arg176的侧链NH2与HCO₃ ^-的OH形成带电氢键。Lys95参与与的HCO₃ ^-配位与已发表的碳酸氢根反应性腺苷酸环化酶的研究(Cann，M.J.et a1.(2003)Journal of Biological Chemistry 278，35033-35038)所得结论相一致。

5-苯基-2H-[1，2，4]-三唑-3-硫醇与的solAC碳酸氢根位点结合

结合于solAC的5-苯基-2H-[1，2，4]-三唑-3-硫醇(化合物1，购自Lancaster Synthesis，UK)的结构显示，其他小分子配体可到达HCO₃ ^-结合位点。化合物1的带负电的硫原子与HCO₃ ^-离子位于几乎相同的位置，而连接苯基的化合物1的三唑基团打开HCO₃ ^-结合位点成为一个与ATP结合位点邻近的大袋。这一扩充的HCO₃ ^-结合位点揭示了一个solAC结构的区域，其可用于设计solAC抑制剂或活化剂。

Arg176自HCO₃ ^-袋中运动出来以及包括Ala97、Gly98、Asp99和Ala100的环的运动使得化合物1介导的HCO₃ ^-结合位点的扩充成为可能。化合物1结合还诱导Val335-Cys343序列的协调运动。solAC的这一区域构成沿碳酸氢根结合位点底部走行的β链和环结构的一部分。该序列中的Phe336、Met337和Phe338构成化合物1结合位点的一部分。

化合物1的扩充的HCO₃ ^-结合位点由以下残基排列而成Phe45、Leu94、Lys95、Ala97、Ala100、Leu102、Phe165、Leu166、Val167、Ile168、Val172、Arg176、Val335、Phe336、Met337和Phe338。化合物1的硫原子位于袋的底部并与Lys95的NZ形成盐桥以及与Val167的主链NH和Phe336的主链NH形成带电氢键。三唑的N6也与Met337的主链羰基在袋的底部形成氢键。此外，三唑的N5与Arg176的NH2形成带电氢键。化合物1的苯基延伸进入由Phe45，Lys95，Ala97，Ala100，Leu102和Phe336的侧链形成的化合物1袋的显著亲脂性区域。在化合物1的苯基之后，该袋在敞开进入ATP结合位点之前轻度缩小。该扩充的HCO₃ ^-结合位点的形状和在化合物1：solAC复合体中所观察到的相互作用的性质提示该位点适合于多种配体。

尽管哺乳动物跨膜腺苷酸环化酶异构体之间存在高度的序列和结构的相似性，但solAC是这类酶中唯一由HCO₃ ^-调节的成员。因此，在此所述的solAC HCO₃ ^-结合位点的结构信息为设计相对于tmAC具有高度选择性的solAC靶向药物提供了指导。与药物设计有关的结合化合物1的结构的另一个关键的特征是化合物1显示出离开solAC的HCO₃ ^-位点并进入ATP结合位点的明显生长载体机会。在药物研发中，导向蛋白质的ATP结合位点的化合物有很多先例。在此给出的结构确立了这样一点，即可以设计出同时占据solAC的HCO₃ ^-和ATP结合位点的化合物。

额外的solAC化合物结合位点-N-(3-苯氧基-苯基)-草酰酸

结合于solAC的N-(3-苯氧基-苯基)-草酰酸(化合物2)晶体结构发现solAC结构的其他区域可开发用于药物设计。化合物2的结合位点与就化合物1所描述的扩充的HCO₃ ^-袋重叠，由此化合物2的苯氧基占据了与化合物1的苯基的极为相似的位置。不过，化合物2诱导位于HCO₃ ^-结合位点底部的Lys95的大的侧链运动。该Lys95运动打开了HCO₃ ^-结合袋，形成一并入大的充水腔的通道，然后开口于蛋白质表面与ATP结合位点相对的点上。以下残基排列成这一新发现的通道：His164，Phe165，Tyr268，Asn333，Lys334和Val335。化合物2的草酰酸基团最大程度地伸入该通道，与所述蛋白质形成若干相互作用：1)化合物2的O3与His164的ND形成带电氢键；2)化合物2的O1与Phe165的主链NH形成带电氢键；3)化合物2的O5氢键结合于Val335的主链NH；和4)化合物2的酰胺N6氢键结合于Phe165的主链羰基。Lys95、Phe165、Leu166、Val167和Phe336的侧链形成围绕化合物2的中心苯胺基芳族环的亲脂性环境。尽管化合物2的末端苯氧基结合于为化合物1所描述的相同的亲脂性袋内，但由于化合物2引起包含Met337、Phe338、Asp339、Lys340和Gly341的环发生运动，该袋的环境被轻度改变。该环的运动将Phe338拖离ATP位点，到达化合物2的末端苯氧基的范德瓦耳斯距离范围内。在apo、AMP-PNP和结合化合物1的solAC的结构中均没有观察到Phe338的这种运动。

实际上，AMP-PNP复合体的结构显示，Phe338形成ATP位点的一端，靠近AMP-PNP核糖的羟基。Phe338的重新定位形成了与ATP结合位点邻近的新的亚袋。该新的亚袋由以下残基排列而成：Phe296，Met418，N298，Ser343，Phe336，Met337，Gly341，Asp339，Met419，Cys342，Ala415，Arg416，Met300和Lys340。

引起形成这一ATP亚袋的化合物成为了solAC活性位点内部的额外的药物设计机会。该ATP亚袋是由结合于扩充的HCO₃ ^-位点内部的化合物引起的这一事实，再次强调了这样一种观点，即HCO₃ ^-位点在开发相对于非碳酸氢根反应性tmAC而言具有高水平选择性的药物中具有巨大的潜在用途。

重要的是，在此所述的这4个结合位点不是相互无关的，而是形成了连续的solAC结合位点，诱导所述的扩充的ATP和HCO₃ ^-袋。整个结合位点代表了开发小分子solAC药物的诱人靶点。

制备N-(3-苯氧基-苯基)-草酰酸

在呋喃(3ml)中的3-苯氧基苯胺(276mg，1.4毫摩尔)和三乙胺(0.2ml，1.4毫摩尔)溶液中逐滴加入氯-氧-乙酸乙酯(0.175ml，1.5毫摩尔)。在环境温度中搅拌所得溶液40分钟。向反应混合物中加水(1.5ml)和氢氧化钠(72mg，1.8毫摩尔)。环境温度下再搅拌反应混合物24小时。反应混合物在二氯甲烷和盐酸(2N)之间出现分区。以二氯甲烷洗涤水相。将二氯甲烷层混合然后以盐酸(2N)和水洗涤。将有机相干燥(MgSO₄)、过滤，真空去除溶剂，得到N-(3-苯氧基-苯基)-草酰酸白色固体(286mg，74％)。

制备与HCO₃ ^-复合的solAC晶体

在由0.1M醋酸钠，pH4.8，0.2M柠檬酸三钠，16％PEG4000和10％甘油组成的浸渗溶液中制备50mM碳酸氢钠溶液。将先前生长的solAC催化结构域晶体置于20μl的所述碳酸氢根浸渗溶液中，平衡3小时。然后将晶体移至防冻液中并在液氮中冷冻，以备收集数据。

制备与化合物复合的solAC晶体

制备占终体积90％的浸渗溶液储存液，其组成为200mM NaCl，200mM柠檬酸三钠(pH6.4)，15％w/v PEG 4000和15％v/v甘油。剩余的10％体积1)以水补平，产生收集溶液，或2)以化合物储存溶液(于DMSO中)补平，成为终浸渗溶液。收集溶液用于在自悬滴中回收solAC晶体之后临时储存solAC晶体，并作为浸渗过程中的储备溶液以免浸渗溶液蒸发。在DMSO中制备0.25M的化合物1和化合物2储存溶液。化合物1的储存90％浸渗溶液的pH调至pH7.3以有助于该化合物的结合。

通过混合36μl的“90％储存溶液”和4μl的化合物储存溶液而制备化合物1和2的终浸渗溶液。这样得到25mM的化合物终浓度。

化合物的浸渗/冷冻过程

将晶体自悬滴中收集到10μl新鲜的收集溶液中。储备池中也添加50-100μl收集溶液。在孔中放入浸渗溶液(6μl)，相应的储备池中添加50μl收集溶液。将晶体分布到浸渗溶液中(1晶体/化合物)。将孔封闭并进行浸渗，对于化合物1，在20C浸渗6分钟，对应化合物2，在20C浸渗4.5小时。打开封闭，将晶体置于显微载片上，置液氮中冷冻。

化合物编号

在描述solAC：HCO₃ ^-、solAC：化合物1和solAC：化合物2复合体时，采用的原子的编号表(如所附pdb文件所示s)显示于图1。没有显示化合物1和化合物2的氢原子。显示了HCO₃ ^-的氢原子，因为该氢原子在定义solAC：HCO₃ ^-的相互作用中特别重要。

表1

CRYST1 99.424   99.424   97.390  90.00 90.00  120.00 P 63

SCALE1    0.010058  0.005807  0.000000        0.00000

SCALE2    0.000000  0.011614  0.000000        0.00000

SCaLE3    0.000000  0.000000  0.010268        0.00000

原子	1	N	MET	A	1	62.520	12.184	24.205	1.00	23.48	N
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	358111216172022242728293233343638404246474849515457606162646669727578828384868891949596979899101103106	CACBCGSDCECONCACBCGOD1ND2CONCACBOG1CG2CONCACBCGCDCONCACBCGCDCENZCONCACBCGCDOE1OE2CONCACBCG	METMETMETMETMETMETMETASNASNASNASNASNASNASNASNTHRTHRTHRTHRTHRTHRTHRPROPROPROPROPROPROPROLYSLYSLYSLYSLYSLYSLYSLYSLYSGLUGLUGLUGLUGLUGLUGLUGLUGLUGLUGLUGLUGLU	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	111111122222222333333344444445555555556666666667777	62.26861.64562.61361.82560.85661.37660.49061.61660.72961.24662.59762.98563.36459.31859.09758.38056.98856.05056.26156.33256.50955.67957.00456.53957.38858.57558.01955.04354.50654.37852.93952.42250.90450.52349.02248.62252.58153.38351.38250.83549.42248.83847.53247.52046.50850.81250.47051.18951.06051.92251.676	12.45911.25210.1318.7058.10613.66213.94114.41815.53516.33316.97617.24317.15115.10313.97216.02315.81315.74916.89514.54816.97117.75617.09018.17117.96317.22916.24318.05316.95719.19319.22720.65920.79722.25222.43423.71318.69118.78318.11917.73017.15416.68315.93714.69416.60318.95820.07018.75519.81519.52018.175	22.75522.03821.81221.06622.48422.62423.47421.56121.24220.08520.34921.53919.27320.91420.47121.07520.69621.92922.76222.80419.81620.27018.58917.68816.42416.88417.93017.37017.30317.22017.01117.14317.08816.83416.70817.34715.63714.69715.53614.24014.37113.04813.20913.02913.50313.33013.75812.07711.0749.8409.186	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	20.8321.6924.2824.9525.0619.7219.0517.4717.9415.0814.0717.7211.1818.1918.1121.0923.5424.5926.5026.2826.2527.1128.8430.3030.7530.2329.0332.2131.0734.8237.4037.9740.5644.7245.3647.5738.1238.9839.2639.8340.4142.2245.6846.1048.4139.5839.3839.2838.5039.0540.29	CCCSCCONCCCONCONCCOCCONCCCCCONCCCCCNCONCCCCOOCONCCC

原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子

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CD  GLUOE1 GLUOE2 GLUC   GLUO   GLUN   PHECA  PHECB  PHECG  PHECD1 PHECE1 PHECZ  PHECE2 PHECD2 PHEC   PHEO   PHEN   GLNCA  GLNCB  GLNCG  AGLNCG  BGLNCD  AGLNCD  BGLNOE1AGLNOE1BGLNNE2AGLNNE2BGLNC   GLNO   GLNN   ASPCA  ASPCB  ASPCG  ASPOD1 ASPOD2 ASPC   ASPO   ASPN   TRPCA  TRPCB  TRPCG  TRPCD1 TRPNE1 TRPCE2 TRPCD2 TRPCE3 TRPCZ3 TRPCH2 TRPCZ2 TRPC   TRPO   TRPN   PROCA  PROCB  PROCG  PROCD  PROC   PROO   PRO

AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA

777778888888888899999999999991010101010101010111111111111111111111111111112121212121212

52.46253.41352.10449.58148.73049.29447.96947.96446.62645.50444.27644.17345.28446.50047.61448.38846.46846.00045.13243.88445.95743.30947.09742.68946.87543.58648.30845.25444.15945.87345.35146.28245.70044.43746.48145.25345.33045.03444.98344.71345.72045.54746.69147.61747.04547.80849.10349.61448.91743.83542.80943.94742.85643.35244.79145.14941.51440.501

18.02318.81717.12720.02019.17321.18621.49622.89423.30623.46123.84024.08623.94923.56320.42220.15719.77618.72817.68917.35817.14516.01316.22515.93415.05614.96216.74419.36019.94619.29119.99821.15222.13422.28622.81319.09319.53017.83116.79415.47115.01314.98714.54914.24414.53014.32213.84213.52613.76117.04317.60516.55116.60615.68315.88015.94416.15716.797

7.8897.6717.08310.69010.94110.1309.6068.9618.3789.1928.6457.2896.4767.0148.5897.6638.7957.9048.6487.8479.8478.2639.4129.2579.0737.5139.4256.7246.8975.5434.3724.0653.1073.0202.4143.1581.9993.4522.4283.0944.1135.4546.0735.1213.8782.7352.8574.0985.2411.4491.8180.230-0.712-1.835-1.814-0.403-0.136-0.395

1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.000.500.500.500.50O.500.500.50O.501.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00

41.6140.3542.3937.0135.6136.1536.0336.5439.4143.2343.2042.6642.1142.6634.4634.9832.0429.8529.7028.5929.3426.4727.8025.1428.6128.5425.6527.2627.5823.1520.3921.7925.3225.5930.6316.9317.0613.8211.8310.1711.4315.3016.9913.9411.8015.5416.4615.9914.9510.278.9610.039.8410.2111.4112.008.207.57

OOOCONCCCCCCCCCONCCCCCCOONNCONCCCOOCONCCCCNCCCCCCCONCCCCCO

原子	209	N	ILE A	13	41.492	15.062	0.615	1.00	8.52	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	211213215218222226227228230232234238242243244246248251254257259260263266267268270272274277281285286287289291295296297299301305306307309311314315317319321323324325327329332	CACBCG1CD1CG2CONCACBCG1CG2CONCACBCGCDNECZNH1NH2CONCACBCG1CD1CG2CONCACBCONCACBCONCACBCGND1CE1NE2CD2CONCACBCG	ILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AILE AILE AILE AILE AILE AILE AILE AILE AALA AALA AALA AALAAALA AALA AALA AALA AALA AALA AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ALEU ALEU ALEU ALEU A	131313131313131414141414141415151515151515151515151616161616161616171717171718181818181919191919191919191920202020	40.21940.33138.96639.01641.00439.55938.34140.33739.78840.87340.42641.38939.26338.20540.03639.62140.71541.99443.01044.06144.89645.82144.82038.32737.49238.15336.93637.13938.10238.65835.79935.78334.69135.99734.92635.32934.42433.30135.22634.75735.87433.55732.74333.50532.43832.93833.82735.18335.67234.68433.52031.15030.15231.09830.02130.45530.753	14.58213.20512.53611.06913.28715.63015.77616.36717.41217.94719.15616.83818.53319.08718.89319.97020.26220.87321.14122.03522.67623.47722.51819.64220.51318.39617.91316.51216.53015.15915.91417.96318.42617.53217.49816.77418.87718.98819.91421.28522.32121.59622.46620.98121.21920.87221.89621.99423.03923.61622.93820.43120.52319.69318.74317.32816.997	1.1511.8281.9022.3513.1962.0572.0322.8043.6884.6085.3605.5652.8263.0891.8030.906-0.1030.484-0.572-0.112-0.916-0.395-2.2230.2030.007-0.215-0.820-1.387-2.545-3.015-1.8270.130-0.2051.3502.3213.5592.7053.1362.5342.7472.5321.8682.2110.705-0.263-1.657-2.237-1.968-2.633-3.305-3.0460.018-0.7431.1251.3691.023-0.422	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	8.258.5310.6110.758.607.276.956.366.978.5211.349.996.998.346.087.167.098.9512.1916.1617.9723.1515.426.335.756.105.537.387.2710.068.497.616.467.617.779.447.818.046.646.657.507.758.168.087.896.768.1912.075.429.925.218.109.837.846.728.4310.45	CCCCCCONCCCCCONCCCCNCNNCONCCCCCCONCCCONCCCONCCCNCNCCONCCC

原子	334	CD1	LEU A	20	31.498	15.669	-0.542	1.00	12.86	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	3383423433443453473503533563573583603623653663673683693703723743773793 833873883 893913933953 98402406407408410412414418422423424426428431432434436437439441443444445447450451	CD2CONCACBCGCDCONCACBCGOD1OD2CONCACBCGCD1CD2CONCACBCG1CD1CG2CONCACBCG1CG2CONCACBCGCD1CE1CZOHCE2CD2CONCACO	LEU ALEU ALEU APRO APRO APRO APRO APRO APRO APRO AASP AASP AASP AASP AASP AASP AASP AASP ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AGLY AGLY AGLY AGLY A	202020212121212121212222222222222222232323232323232324242424242424242525252525252526262626262626262626262627272727	29.41829.54230.32328.27027.79226.25226.03627.22828.20528.48928.17828.35728.20629.23030.30329.02527.40627.76926.19525.19723.98122.80622.08421.86725.77925.45426.66827.31927.50626.14825.20728.30028.66628.99829.45830.83731.53332.89331.80130.87231.66429.95929.83129.79831.04331.01132.18633.38834.58933.42932.26628.66828.32028.08026.88527.11426.230	16.96918.79519.06218.49318.43718.50217.79818.16517.10516.12117.08315.87116.17817.14617.30717.78314.75513.57815.14214.23115.02214.20713.57215.11013.31912.14113.84713.06913.91714.38413.24813.20712.53211.37013.38813.03014.19513.76315.39111.78910.90511.76910.63711.16511.92813.30914.02513.34913.98511.97711.2829.7108.8529.8039.0397.5776.771	-1.1332.8363.7313.0694.4284.2622.9812.0905.0774.3896.3957.1948.6459.1528.48810.1916.7956.8666.3785.8845.3354.8316.0113.9944.8194.7873.9712.9831.6821.1450.6540.7113.4623.1924.0824.4605.1895.7524.2105.3225.1186.2747.1938.6138.9639.1789.4819.5989.8639.4019.1206.9147.7655.7325.4295.1195.322	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	15.337.506.968.518.868.729.218.698.138.418.478.939.9911.5713.3513.799.808.9810.9110.6411.9213.5918.9219.1010.4013.759.319.3210.4010.1611.2111.119.4711.958.648.558.128.459.699.8110.6910.0812.0612.1911.7111.5412.5514.6616.8013.2312.6114.7814.4915.3917.8720.5220.95	CCONCCCCCONCCCOOCONCCCCCCONCCCCCCONCCCCCONCCCCCCOCCCONCCO

原子	452	N	HIS A	28	28.259	7.226	4.572	1.00	23.72	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	4544564594604624644664684694704724744774784804 824844864 884894 904924944974 99500501502504507510513514515517519522525526527528529530532534537540543545546549552553554555557560	CACBCGNDCENE2CD2CONCACBCGCD1CE1CZCE2CD2CONCACBOGCONCACBCGCDCONCACBCGCDOE1OE2CONCACBCGCDNECZNH1NH2CONCACBCG	HIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ASER ASER ASER ASER ASER ASER APRO APRO APRO APRO APRO APRO APRO AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG APRO APRO APRO APRO A	282828282828282828292929292929292929292930303030303031313131313131323232323232323232333333333333333333333334343434	28.44429.23230.62031.66832.74732.42831.09327.20226.78626.66225.44724.77424.60723.95223.77824.30624.97425.11925.67126.75624.59324.60323.18222.61525.11825.23925.43125.91326.49625.69325.40624.81125.06523.60622.59121.42520.42220.70419.96221.65222.11122.15421.67521.09621.99023.35523.26224.57125.11224.47626.29819.76519.71618.68318.67517.26016.439	5.8545.0745.6155.2415.9396.7836.6295.1154.0785.6275.0686.1337.4237.5228.7449.8859.7828.5723.9033.7153.1902.0991.5221.1512.5533.7791.5691.8730.529-0.4980.1122.3853.2841.8422.0021.0261.3730.7091.0210.1123.4574.2413.7875.0745.8486.2017.0877.4757.0006.1137.4524.8144.0595.3946.3136.8935.783	4.0745.1215.2774.4584.7795.7446.0483.5224.0262.4181.7840.9041.5522.7523.3642.7621.5690.9550.8400.3100.550-0.415-0.5670.685-1.797-2.098-2.639-3.984-4.445-3.732-2.391-4.942-5.737-4.812-5.814-5.577-4.475-3.137-2.185-3.027-5.936-4.997-7.142-7.431-8.397-7.821-6.624-6.124-5.022-4.272-4.653-8.099-9.047-7.612-6.484-6.530-7.125	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00.1.001.001.001.001.001.001.001.001.0021.0021.0021.0021.002	27.7727.5532.4636.5035.3836.4335.6129.7432.1532.3433.5034.3432.6633.8136.5635.4433.8335.2235.2636.6837.0938.8039.8043.3939.4438.4739.4739.1639.2540.0840.1537.5638.5636.0134.7335.3638.1241.9745.2543.8732.0730.7129.3226.9727.0026.7028.7726.9829.5927.6929.8425.415.503.563.273.812.46	CCCNCNCCONCCCCCCCCCONCCOCONCCCCCONCCCCOOCONCCCCNCNNCONCCC

原子	563	CD	PRO A	34	17.319	5.106	-8.096	1.00	23.50	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	56656756857057257557657858058258458658758859059259559859960360460560760961261361461561661761962162462562762963063263463663763 8640642645646648650652654656657658660662665666	CONCACBCGCD1CE1CZCE2CD2CONCACBCGSDCECONCACBCGOD1OD2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1CE1CZCE2CD2CONCACBCGOD1	PRO APRO APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AMET AMET AMET AMET AMET AMET AMET AMET AASP AASP AASP AASP AASP AASP AASP AASP ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP A	343435353535353535353535353636363636363636373737373737373738383838383838383838383839393939393939393939394040404040	18.85918.61719.27219.32320.75720.84120.71220.75920.93321.07621.00818.47818.60017.64216.79515.30614.79815.26313.77417.05617.21117.07617.14918.54018.95018.05720.14916.13115.65815.77214.75013.42013.01913.52013.19512.31911.95911.79812.16615.21615.87214.90215.24216.74717.26817.23017.74818.28518.32617.85514.36513.42114.65414.02613.25212.12411.102	5.5914.3766.3535.9205.9655.7174.4224.1715.2146.5136.7536.8708.0966.3207.1246.8757.4046.3595.4856.7535.5567.7737.6107.9777.1866.5997.0978.5099.5038.1758.9048.1237.7076.5396.1846.9906.6648.1428.5029.1508.30310.33110.75011.07012.03813.37714.29713.83712.49511.58111.92612.32712.45113.64913.33512.39612.847	-5.159-5.084-4.152-2.780-2.244-0.755-0.2641.0931.9701.4940.130-1.970-2.095-1.102-0.243-0.528-1.820-3.194-3.5231.2121.5552.0483.4903.9995.2175.8965.5514.1263.5205.3526.0836.0714.6774.0952.8162.0900.8102.6503.9307.5028.1078.0029.3419.4668.4358.6667.7206.5506.2957.2659.7869.08510.95411.47212.74212.48711.932	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	23.3823.0122.9022.0122.1522.3724.6424.0624.2425.0121.8221.9420.0822.4024.2025.6431.6541.9041.5323.7422.8223.4624.6525.6830.5933.1137.9223.9524.0722.7523.2524.1227.1129.3229.7631.8233.1833.2830.2022.4323.2520.9419.7320.0719.0918.9615.3217.5918.8219.8820.3021.5520.0720.9521.1426.1928.99	CONCCCCCCCCCONCCCSCCONCCCOOCONCCCCCCOCCCONCCCCCCCCCONCCCO

原子	667	OD2	ASP A	40	12.196	11.187	12.772	1.00	31.45	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	668669670672675676677679681683687691692693695697700702706710711712714716719722723727728729731733736737739741743745747748749751753755759763764765767769772773774775776777779	CONCACONCACBCG1CG2CONCACBCGCD1CD2CONCACBCGSDCECONCACBCGCD1CE1CZCE2CD2CONCACBCG1CG2CONCACBCGOD1OD2CONCA	ASP AASP AGLY AGLY AGLY AGLY AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AMET AMET AMET AMET AMET AMET AMET AMET APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASP AASP AASP AASP AASP AASP AASP AASP AILE AILE A	404041414141424242424242424343434343434343444444444444444445454545454545454545454646464646464647474747474747474848	15.04716.21414.61215.50614.85813.66915.65615.29215.61115.24514.89116.06817.29415.34315.89215.10715.18814.22116.59715.87414.93816.94317.05518.15018.46720.06119.73517.36418.30616.55816.71715.42815.44115.08915.04115.28615.56915.62817.02816.19718.24518.71920.11920.51020.18218.70619.46717.76217.68916.34416.23116.95915.38818.81718.82119.77320.854	14.70914.42015.95017.03818.37518.50319.37820.77121.43722.92220.71621.42821.24922.16122.83722.46921.05420.77620.67824.33524.90424.98226.41426.84828.34828.89228.76226.87026.38727.79428.35628.12128.54027.63528.02429.35430.27329.86229.80430.57030.19431.55431.64233.06430.81332.18031.80933.10033.82234.53735.40235.17736.31734.84335.78534.64335.612	11.76311.98011.77512.06912.01411.68712.36112.25613.56213.55514.67411.11010.98210.2769.1027.8487.2856.1646.7869.3089.9108.8378.8619.8179.78410.43312.2147.4566.8456.9535.6124.8423.3972.4111.0570.7041.6863.0425.8166.3575.4305.5866.2146.5417.4644.2053.3523.9912.7212.6101.3620.3681.2942.7113.4961.8161.618	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	19.5021.0819.0918.5018.3019.3316.6717.1616.8016.5219.4317.9216.0116.7017.2816.3417.3320.2018.7817.5717.0317.3617.0416.6918.5619.6920.9018.2216.5418.7419.8521.2024.1629.6733.0833.5931.7229.8220.0519.5318.7819.3020.1419.6621.0220.3220.1221.0322.1823.2628.3530.1633.6821.5022.6022.4722.39	CONCCONCCCCCONCCCCCCONCCCSCCONCCCCCCCCCONCCCCCONCCCOOCONC

原子	781	CB	ILE A	48	22.221	34.942	1.708	1.00	22.38	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	783786790794795796798800803805806807809812813814816818821822824826828830832833834836838840842846847848850852856857858860862865868869873874875877879881883887888889891893896	CG1CD1CG2CONCACBOGCONCACONCACBCGCD1CE1CZCE2CD2CONCACBOG1CG2CONCACBCONCACBCGSDCECONCACBOG1CG2CONCACBCG	ILE AILE AILE AILE AILE ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ATHR ATHR ATHR ATHR ATHR ATHR ATHR AALA AALA AALA AALA AALA AMET AMET AMET AMET AMET AMET AMET AMET ATHR ATHR ATHR ATHR ATHR ATHR ATHR AGLU AGLU AGLU AGLU A	484848484849494949494950505050515151515151515151515152525252525252535353535354545454545454545555555555555556565656	22.39723.82822.42220.74221.74719.52419.30917.85117.04519.73020.05919.72420.21721.71922.19122.46923.90224.61324.68725.50925.55424.77923.96523.91524.13824.93023.46523.70322.98021.57223.40023.27023.71122.40321.93220.87523.04922.86524.17925.35326.36425.95027.14527.51526.03626.84525.69426.27225.58225.79026.22626.16327.05025.06324.76923.33322.295	33.88433.40234.34036.33536.79136.45937.21737.12037.70338.67939.29339.24440.59140.72741.79539.64139.59338.49038.78339.80740.10739.38538.37138.07539.33340.02438.32837.92036.59636.73035.44139.02739.06139.92241.06541.83442.00942.82941.91142.73742.56343.26843.07541.33042.46243.25741.35341.03339.80138.70039.33242.19542.41042.93144.01644.51243.446	0.6240.4973.1120.282-0.246-0.250-1.502-1.961-0.977-1.400-2.415-0.1980.041-0.169-0.5390.065-0.2620.5512.0172.4933.8354.7284.2662.919-1.749-2.384-2.297-3.671-4.021-3.815-3.106-4.630-5.774-4.162-4.959-4.210-5.368-6.291-4.663-4.911-3.776-2.481-1.109-1.039-6.256-6.713-6.908-8.206-8.770-7.88010.026-9.18610.017-9.07810.001-9.78110.081	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	23.5226.1121.5024.6025.2126.4328.3327.8730.3229.2730.8730.6331.5132.8433.6733.0833.9034.1938.5041.9143.4143.7943.8641.4032.8032.7732.1031.6432.1330.4432.5231.2930.6731.0631.2931.1032.2331.2332.4933.2433.5736.5942.9342.8132.8932.5532.5532.4133.0735.3833.9332.7130.0833.9635.7136.6540.17	CCCCONCCOCONCCONCCCCCCCCCONCCOCCONCCCONCCCSCCONCCOCCONCCC

原子	899	CD	GLU A	56	22.012	43.330	-11.568	1.00	44.33	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	90090190290390490690891191491792092492592692893093393493693 894094294494594694895095395595695795996196496696796897097297697797898098298598898999399499599799910021003100510071008	OE1OE2CONCACBCGCDCENZCONCACBCGCD1CE1CZCE2CD2CONCACBOGCONCACBOGCONCACBCONCACBCGSDCECONCACBCGCD1CE1CZOH	GLU AGLU AGLU AGLU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ASER ASER ASER ASER ASER ASER ASER ASER ASER ASER ASER ASER AALA AALA AALA AALA AALA AMET AMET AMET AMET AMET AMET AMET AMET ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR A	565656565757575757575757575858585858585858585858595959595959606060606060616161616162626262626262626363636363636363	22.81420.98825.76026.41425.89026.81026.63027.53027.50728.38928.69828.28229.04028.67330.07030.47430.70029.76629.97031.09332.03931.83030.39131.52729.37429.58828.34527.16429.91130.46729.60329.96629.61330.25731.46132.37931.71433.06633.01333.87235.09133.18733.85632.82331.92830.56031.15834.81335.81734.48335.33334.50733.61732.32131.51632.02131.255	42.68643.90745.16045.55645.65546.76547.27846.69347.61147.09148.10846.42547.29645.15644.78043.53643.84543.53443.84344.50544.83444.51444.61344.41744.65244.78244.26444.65546.24646.48847.21348.61249.43050.67448.79848.13949.70550.11951.15850.70150.79451.12451.59351.95353.17253.37552.32950.53150.87149.25548.15146.91047.25747.69348.08748.09348.482	-12.270-12.026-9.829-10.784-8.608-8.317-6.876-5.764-4.514-3.388-2.329-8.626-9.031-8.481-8.732-7.906-6.478-5.527-4.195-3.800-4.734-6.077-10.212-10.587-11.064-12.512-13.237-12.542-12.967-14.043-12.114-12.364-11.139-11.149-12.744-12.195-13.687-14.034-15.200-12.868-12.926-11.819-10.612-9.547-9.894-8.706-7.236-10.024-9.403-10.188-9.637-9.287-8.159-8.391-7.342-6.081-5.014	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	44.6148.8134.8435.8134.7934.4835.4138.1341.2442.7644.7432.2732.1229.5927.3726.1924.1125.0425.5823.7020.6723.4626.7325.8228.5029.9631.2833.0630.7132.2530.2629.5029.3531.1029.2228.3927.4426.5627.3524.9924.4724.1224.2625.8031.5546.0642.0521.4720.8320.1018.6317.8018.1818.1521.3423.5930.88	OOCONCCCCCNCONCCCCCCCCCONCCOCONCCOCONCCCONCCCSCCONCCCCCCO

原子	1010	CE2	TYR A	63	33.328	47.711	-5.837	1.00	23.86	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	101210141015101610181020102310261027103110321033103510371040104110421043104410451047104910521055105810601061106410671068106910711074107510761078108010841085108610881090109310961097109810991100110111031105110811111112111311161117	CD2CONCACBCGSDCECONCACBCGOD1OD2CONCACBCGCDNECZNH1NH2CONCACONCACBCONCACBCGCDOE1OE2CONCACBCGCDOE1NE2CO	TYR ATYR ATYR AMET AMET AMET AMET AMET AMET AMET AMET AASP AASP AASP AASP AASP AASP AASP AASP AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AGLY AGLY AGLY AGLY AALA AALA AALA AALA AALA AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN A	636363646464646464646465656565656565656666666666666666666666676767676868686868696969696969696969707070707070707070	34.11036.46637.25836.58437.74138.97638.90839.99539.29837.75436.74138.82738.66539.84139.89038.84640.90438.45438.62838.03238.13339.18640.58241.69441.64041.18240.69941.17936.78436.69935.70434.40434.21733.64234.68134.42934.80235.21034.68836.43437.31138.70839.34838.99238.15839.58836.77436.69836.32335.72935.47536.72636.74437.16036.36734.44634.211	47.29447.77146.85548.51348.41248.93650.48451.23650.65546.96546.44346.27044.95844.69345.66945.78246.39243.86742.70244.25243.34643.83343.72544.03043.17243.44344.62642.47143.14742.85043.33943.10141.70941.60740.65939.29638.27739.05838.53139.54939.37639.79838.92139.24440.14538.61240.10439.55141.33342.08743.53344.37845.59546.69845.39541.44041.422	-6.869-10.564-10.282-11.652-12.497-11.781-11.549-10.413-8.769-12.955-13.442-12.887-13.507-14.405-15.577-16.293-15.798-12.483-12.799-11.282-10.127-9.090-9.641-8.679-7.509-6.339-5.991-5.446-9.462-8.293-10.213-9.628-9.061-7.979-9.744-9.263-10.277-7.960-6.996-7.952-6.816-7.211-8.268-9.708-10.000-10.623-5.608-4.486-5.806-4.747-5.150-5.299-4.359-4.784-3.105-4.209-2.979	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.0011.0011.0011.0011.0011.0011.001	22.4219.1117.3120.0520.6821.4620.1820.5019.3421.1824.2321.0621.2123.3529.2131.5036.5316.9617.7313.0311.139.499.839.449.198.378.989.2810.5710.4110.6811.6811.2311.4012.2211.8112.1311.5212.1611.0711.0610.7713.0615.4214.6820.7611.7113.229.7810.300.682.195.216.432.0311.432.51	CCONCCCSCCONCCCOOCONCCCCNCNNCONCCONCCCONCCCCOOCONCCCCONCO

原子	1118	N	LEU A	71	33.596	40.961	-5.138	1.00	10.83	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	1120112211251127113111351136113 71139114111431147115111521153115511571160116311641165116611671168117011721174117711811185118611871189119111941196120012041205120612081210121312141215121812191220122212241227122812301232123312351237	CACBCGCD1CD2CONCACBCG1CG2CONCACBCGCDOE1OE2CONCACBCG1CD1CG2CONCACBCGCD1CD2CONCACBCGOD1ND2CONCACBCGCD1CE1CZOHCE2CD2	LEU ALEU ALEU ALEU ALEU ALEU ALEU AVAL AVAL AVAL AVAL AVAL AVAL AVAL AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AASN AASN AASN AASN AASN AASN AASN AASN ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR A	717171717171717272727272727273737373737373737374747474747474747575757575757575767676767676767677777777777777777777	32.32931.50130.13629.29429.42232.50831.85533.36733.60234.47435.86334.45334.17833.80835.06735.67936.75637.33738.38439.21738.37034.61034.54033.76432.78332.27531.49532.28831.42531.64431.17131.25130.22129.92028.74127.45928.73330.73330.07531.95332.52933.75333.39634.28832.13632.83832.69233.16333.35233.82533.97734.88135.01934.24634.37233.34233.206	40.39940.05739.43640.23039.30439.17739.06538.28937.01035.99136.37934.58737.32936.71038.32938.69339.75740.30641.34741.58341.92139.17138.68640.10240.67042.05842.77243.02941.92739.66239.55838.90337.86637.23936.27536.99435.71936.83136.52536.37735.35834.67933.64833.13733.35235.87235.13537.15737.75839.20539.91639.46940.13841.22641.92741.68841.022	-4.769-6.011-5.749-4.736-7.042-3.884-2.826-4.285-3.564-4.358-4.483-3.689-2.192-1.200-2.128-0.863-1.0980.178-0.1010.810-1.2640.1361.260-0.2620.6780.2091.3232.576-1.0050.9682.088-0.0330.162-1.182-1.274-0.927-2.7071.1452.1640.9351.8671.2530.168-0.5350.0343.2644.2643.3854.6914.5265.8136.7667.9708.2329.4347.2916.098	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	12.4513.7717.6821.7021.2712.7413.9312.8613.5414.2816.6919.2612.3510.6610.3710.129.769.429.9011.1410.9210.649.549.7912.0613.3313.8514.3115.4810.7512.1811.9613.8414.0820.8222.5023.2213.1113.7512.1812.0312.0612.8116.819.3011.7611.6011.7712.8512.7214.8517.0918.1921.2723.4320.1218.71	CCCCCCONCCCCCONCCCCOOCONCCCCCCONCCCCCCONCCCONCONCCCCCCOCC

原子	1239	C	TYR A	77	32.061	37.634	5.512	1.00	12.27	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	124012411243124512481249125112531255125712581259126112631265126812721276127712781280128212851287128812891291129312971298129913011303130513081312131613171318132013221324132813321333133413361338134113441345134613471348134913511353	ONCACBCGND1CE1NE2CD2CONCACBCG1CD1CG2CONCACBOGCONCACBCONCACBCG1CD1CG2CONCACBCG1CG2CONCACBCGCDOE1OE2CONCACB	TYR AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AILE AILE AILE AILE AILE AILE AILE AILE ASER ASER ASER ASER ASER ASER AALA AALA AALA AALA AALA AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALYS ALYS ALYS A	777878787878787878787879797979797979798080808080808181818181828282828282828283838383838383848484848484848484858585	32.07830.93329.65828.64429.00029.23229.52829.51829.22129.13128.70229.16428.61728.53627.48327.39928.17029.43428.83930.75831.59933.05933.60731.09131.11530.64530.15729.94728.88328.69328.02126.80025.87325.48124.62724.60727.16426.59328.07328.50329.46530.05328.76029.09228.74729.97530.56431.62832.95934.16434.00235.29429.45929.49528.44827.32526.358	37.16638.00337.96438.88940.34340.92642.20442.46241.31036.56036.20335.77034.41833.78534.50934.01132.36733.55532.76133.75533.02533.47032.96133.15732.20334.35634.67436.21033.89333.43733.71432.93833.11034.60434.92432.29731.47930.77531.01929.62929.29227.92029.42629.30328.23330.13329.86930.89230.75931.33631.84531.29829.74428.85230.59930.53831.704	6.6774.9065.6024.9455.0976.3296.1564.8624.1775.7346.8004.6694.7163.3272.4701.0963.4265.6736.3955.7536.7436.7175.5388.1558.9388.4789.8039.99410.10711.2519.1079.2528.0617.9046.6878.2219.40610.2218.5638.6297.4627.6056.1249.99710.56610.53611.83912.28611.55212.29113.46311.68312.88113.70512.81113.78813.565	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	12.4112.3713.2414.8116.7020.8924.1620.8021.7012.8712.1311.9812.8413.7015.5721.4113.2412.9612.9311.9812.9713.2216.1712.7612.9311.7212.2513.0012.1113.7211.6211.2211.7012.0513.5411.1411.8612.5411.2111.3312.2013.7712.3511.7711.9712.4513.4715.3818.3722.5726.4321.9015.2713.0813.5715.6417.44	ONCCCNCNCCONCCCCCCONCCOCONCCCONCCCCCCONCCCCCONCCCCOOCONCC

原子	1356	CG	LYS A	85	26.858	32.982	14.061	1.00	22.72	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	135913621365136913701371137313751377138113851386138713891391139413961400140414051406140814101412141514191423142414251427142914321433143514371439144114431444144514471450145114521454145714581459146114631466146714681469147014711473	CDCENZCONCACBCG1CG2CONCACBCGCD1CD2CONCACBCG1CD1CG2CONCACBCGCD1CE1CZCE2CD2CONCACONCACONCACBCGOD1OD2CONCA	LYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AILE AILE AILE AILE AILE AILE AILE AILE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLY AGLY AGLY AGLY AGLY AGLY AGLY AGLY AASP AASP AASP AASP AASP AASP AASP AASP AILE AILE A	858585858586868686868686878787878787878788888888888888888989898989898989898989909090909191919192929292929292929393	26.49726.97627.31226.58226.39326.25525.52925.11624.64624.03826.38525.88327.66028.49529.86529.72931.10729.11728.71228.69528.92129.13329.64031.05731.58229.66127.89728.04126.71625.45824.26824.22125.14025.10724.11623.19823.22025.11924.04826.01525.83525.15524.83124.87224.20125.12226.31524.52225.18024.79725.62625.25726.66224.72323.49725.63225.216	33.11134.42434.23329.22828.53428.79127.56427.33225.92228.36226.42425.56526.38225.26025.29525.09325.28823.82225.21724.13126.37326.42027.79227.97829.34827.98826.00625.38726.29125.82126.78628.02729.04330.20430.32129.29728.17024.38623.89623.68722.28821.85320.67422.79722.46821.99722.07821.49520.91319.47718.73317.59719.23421.77121.84522.50023.324	15.52216.09817.55013.71014.73312.51012.31510.86210.61910.42212.83813.59812.43112.87112.15210.6339.95110.25014.38314.95715.02716.48716.88316.32516.44318.37517.28418.33316.75717.34816.98917.84117.68018.46919.45319.63918.86116.92917.21416.20615.92014.68014.53113.77212.53711.40811.54110.3499.1819.0267.9567.5867.4548.0297.7477.3876.255	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	28.0925.8928.9113.6314.3410.6010.8811.7111.4812.1112.1111.6310.4610.2210.358.628.6411.2910.1410.929.4711.4012.6014.5420.4816.3812.3111.4613.0613.3212.6312.5812.2916.7514.5715.4514.7212.3612.1510.8911.7511.1912.2811.6011.1212.4114.2411.6510.9612.2611.6614.6913.0211.6013.3610.2610.27	CCNCONCCCCCONCCCCCCONCCCCCCONCCCCCCCCCONCCONCCONCCCOOCONC

原子	1475	CB	ILE A	93	26.204	24.480	5.889	1.00	10.10	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	147714801484148814891490149214941497149915031507150815091511151315161519152215251529153015311533153515381539154115431545154715491550155115531555155915601561156315661567156815701572157515761577157815791580158215841588158915901592	CG1CD1CG2CONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCGCD1CE1CZCE2CD2CONCACBCONCACONCACBCGOD1OD2CONCACBCONCA	ILE AILE AILE AILE AILE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AALA AALA AALA AALA AALA AGLY AGLY AGLY AGLY AASP AASP AASP AASP AASP AASP AASP AASP AALA AALA AALA AALA AALA ALEU ALEU A	9393939393949494949494949495959595959595959596969696969696969696969797979797989898989999999999999999100100100100100101101	26.40325.43225.74425.05626.02523.84223.58222.11721.58620.15422.47423.95224.48923.58323.66522.43222.57121.63121.84920.71423.63823.00124.39024.28125.67126.52727.24428.05128.16127.45926.65723.50724.02522.21421.42021.07820.14219.57319.68618.47718.64317.71819.82420.17419.37419.84721.06519.05519.92019.41520.26019.98018.62621.01321.70821.08521.892	25.42026.47825.20622.36021.78822.16421.23820.85020.10819.67818.96621.80621.09623.05223.60023.13621.84521.64020.23019.77725.10825.75425.66327.05327.70027.62226.45426.36127.44928.61428.69726.97526.54927.24827.18625.74528.00628.10528.58629.40130.69831.12331.32032.52333.72434.25434.20734.76432.31233.18931.13130.75230.13729.75729.09029.64728.627	7.1027.2204.6275.0964.6534.5963.5183.4394.6544.3585.0552.1431.3211.8960.558-0.243-0.826-1.974-2.448-3.1600.5461.387-0.388-0.736-0.8650.3860.6791.8062.6522.3841.251-2.091-3.109-2.071-3.323-3.653-3.205-2.132-4.317-4.310-3.523-2.815-3.638-2.874-3.357-4.711-5.010-5.532-1.365-0.665-0.8900.4660.5180.9920.2402.2982.922	0.500.500.501.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	9.2112.186.1010.519.749.9610.7012.5012.2314.6816.4212.8613.7013.8816.6617.8323.9028.0025.4623.5516.4116.4317.6119.5219.3418.2819.8117.8517.0318.0220.3922.2821.5026.3128.6229.1529.9730.5931.2331.1430.7231.8330.1830.0831.1335.4340.3539.9428.4927.9825.9524.8725.6223.2624.4821.0620.33	CCCCONCCCCCCONCCCCCNCONCCCCCCCCCONCCCONCCONCCCOOCONCCCONC

原子	1594	CB	LEU A	101	22.858	29.316	3.862	1.00	21.56	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	159715991603160716081609161116131616161816221626162716281630163216361637163816401642164516471651165516561657165916611664166516671669167016711673167516771679168016811683168516881691169416961697170017031704170517071709171117151719	CGCD1CD2CONCACBCGCD1CD2CONCACBCONCACBCGCD1CD2CONCACBCGCD1NE1CE2CD2CE3CZ3CH2CZ2CONCACBCGCDNECZNH1NH2CONCACBCG1CG2C	LEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AVAL AVAL AVAL AVAL AVAL AVAL A	101101101101101102102102102102102102102103103103103103104104104104104104104104105105105105105105105105105105105105105105106106106106106106106106106106106107107107107107107	23.77924.86623.03920.87120.04320.96620.06219.47618.56517.31718.14720.89821.87620.47521.16721.73620.24919.02120.86520.14920.27319.86218.33320.17320.72021.93219.82820.17019.75120.62021.43322.02621.64220.74520.19720.60721.48122.03319.40718.16320.12019.52520.26319.76020.61920.19420.53321.35620.10419.57120.63218.40018.28718.20116.83318.56017.146	28.67429.74728.25327.75628.28526.45225.50524.55923.43924.04122.44924.71724.11324.71223.96124.89622.95123.14021.89320.77119.53218.16418.25216.99920.40820.39120.21119.57220.42821.55121.59922.81623.58522.83023.41524.69725.39024.85418.25418.20117.18315.85214.98013.58712.75911.36810.55510.9559.30215.23115.15714.81114.33915.55016.19615.20113.348	4.8675.1706.1043.6494.3763.4574.0433.0073.5344.2292.5235.0374.6306.2987.3688.3488.0708.1488.6099.1738.2688.8489.1937.91710.51810.70011.48412.76713.93014.30415.37715.46614.41513.66412.51312.16612.92714.05112.77512.95412.47112.41511.43511.33310.43910.3789.4008.4389.41713.79614.43514.25915.62316.57016.50017.93515.734	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	25.4123.8828.5518.1118.9915.6015.2015.9114.6319.4117.2314.7113.3113.8313.6413.0014.3513.8613.4813.8314.0114.5615.9713.4715.9914.1214.6215.3015.6812.7114.7914.3212.7913.9312.2613.1114.0114.4416.6716.4716.8418.4118.6219.7922.2119.7622.4623.7823.4920.1019.3320.3922.9923.3924.3426.8623.20	CCCCONCCCCCCONCCCONCCCCCCONCCCCNCCCCCCCONCCCCNCNNCONCCCCC

原子	1720	O	VAL A	107	16.262	13.274	14.872	1.00	21.41	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	172117231725172817311732173317341735173617381740174317461749175117521755175817591760176217641767177017731776178017811782178417861789179217931794179717981799180118031806180818121816181718181820182218251828183118341838183918401842	NCACBCGCDOE1OE2CONCACBCGCDNECZNH1NH2CONCACBCGCDCENZCONCACBCGCDOE1NE2CONCACBCGCD1CD2CONCACBCGCDCENZCONCA	GLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AASN AASN A	108108108108108108108108108109109109109109109109109109109109110110110110110110110110110111111111111111111111111111112112112112112112112112113113113113113113113113113114114	17.23716.16016.53916.91717.10116.10018.22914.89914.93013.78112.50411.39410.1679.1399.5279.98110.14810.27712.22711.69012.60112.32812.58311.60711.71410.58510.57713.07912.67614.16114.91916.42716.95616.60416.86916.05714.57815.20013.59913.27112.13812.46911.20113.58112.91213.31012.13711.76010.85810.4229.5969.2018.28112.93912.96013.94715.071	12.48511.56010.64511.38610.45110.2599.91312.35413.45711.76612.43211.46012.15711.21710.7049.4758.5639.15313.04814.13912.35512.82011.71810.5569.5068.4667.52214.05814.74414.37415.55415.25814.55615.22216.40714.44916.76717.80116.65417.77717.41216.52016.28917.12519.00820.08218.85119.97919.50320.59720.01121.10520.66020.77321.97020.12720.847	16.75617.02118.18219.45420.64921.38920.82817.34117.89317.00317.10716.72716.26415.70514.38814.12915.09212.87318.47218.55019.54420.90121.94221.76322.85722.71123.86921.29022.22820.58720.90220.84922.09423.42823.65124.33720.01020.17719.11218.23417.27316.11515.33715.19919.01618.68020.09320.90922.06522.99624.14925.11326.21621.43621.32322.01722.542	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	24.3725.4626.4228.8534.1635.3232.7125.4424.2627.0628.1828.9233.7639.2042.1345.5447.0546.4128.3328.1128.4828.5129.7734.4739.5642.4844.8927.3327.7025.2223.8424.5825.3426.7130.9528.8122.3922.3321.6121.3921.9323.1127.0023.6920.8319.5220.8620.8821.8624.1729.0932.5336.6019.9821.6119.1019.01	NCCCCOOCONCCCCNCNNCONCCCCCNCONCCCCONCONCCCCCCONCCCCCNCONC

原子	1844	CB	ASN A	114	15.878	19.961	23.474	1.00	20.15	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	184718481849185218531854185618581860186318671871187218731875187718791882188618901891189218941896189819001904190519061908191019121916192019211922192419261928193219361937193819401942194419471951195519561957195919611964196719701973	CGOD1ND2CONCACBCG1CD1CG2CONCACBCG1CD1CG2CONCACBOG1CG2CONCACBCG1CG2CONCACBCG1CG2CONCACBCG1CD1CG2CONCACBCGCDCENZ	ASN AASN AASN AASN AASN AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE ALYS ALYS ALYS ALYS ALYS ALYS ALYS A	114114114114114115115115115115115115115116116116116116116116116117117117117117117117118118118118118118118119119119119119119119120120120120120120120120121121121121121121121	15.12514.27415.38115.97016.51116.06616.93717.25018.12519.48117.95116.32317.05814.98614.37412.81612.42911.03012.19314.78615.01214.89715.35715.29513.92915.76816.77217.08017.64519.02619.85521.23419.93919.00419.69618.21318.14217.43317.32618.14217.51717.93716.51916.00814.67513.56312.28114.28917.04117.21017.78318.83619.53920.52219.87020.91921.736	19.70520.51318.57521.43822.51520.74821.20820.09319.04319.59220.64322.42923.35222.49923.71723.57622.53521.95424.89824.92226.00424.77725.85225.42725.18226.48626.33227.54025.36325.67624.39524.73223.57526.47827.47725.99626.54225.60026.20824.30027.94728.82628.16929.52129.48228.75828.43330.87630.49431.61730.08130.90030.21031.07832.17833.08932.378	24.74225.10225.37921.47421.66920.36019.28018.29418.98219.50917.03118.60818.23318.51717.99217.84816.79816.94117.46118.81018.29120.11320.94722.39622.76823.28920.57520.57520.32519.98819.76119.30021.04918.66918.53817.73616.36015.41813.96015.30816.36815.63717.21217.37518.24117.47218.33918.56717.94917.46718.96519.47920.63421.37422.17522.84423.853	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	22.9624.0923.5117.4317.5117.6618.8318.8121.1221.9019.3718.3616.9318.1717.8116.8319.4019.8116.1416.5218.2218.6018.1320.1223.4618.6018.3718.7317.3216.6716.4816.5715.6515.1117.6015.3714.7615.2514.1314.1616.1915.0816.6217.1216.6118.6622.1517.4517.5218.0218.0918.949.5521.0727.7732.7635.18	CONCONCCCCCCONCCCCCCONCCOCCONCCCCCONCCCCCONCCCCCCONCCCCCN

原子	1977	C	LYS A	121	19.873	31.231	18.405	1.00	17.78	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	197819791981198319861987198819891991199319961998199920002002200420072009201320172018201920212023202620292030203120322033203420362038204020432047205120522053205520572060206120632065206720692070207120732076207720782080208220852087	ONCACBSGCONCACBOGCONCACBCGCD1CD2CONCACBCGCDOE1OE2CONCACBCG1CD1CG2CONCACBCGND1CE1NE2CD2CONCACONCACBCGCD1	LYS ACYS ACYS ACYS ACYS ACYS ACYS ASER ASER ASER ASER ASER ASER ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AGLY AGLY AGLY AGLY ALEU ALEU ALEU ALEU ALEU A	121122122122122122122123123123123123123124124124124124124124124125125125125125125125125125126126126126126126126126127127127127127127127127127127128128128128129129129129129	20.31420.31021.24521.36722.67220.72121.44819.46018.80217.35517.22918.81419.09918.51718.60117.95216.48616.02715.62719.99720.18821.00222.38623.30322.92624.10125.18223.93022.87523.67922.36022.62922.01722.79922.24522.06622.12822.85620.86920.34418.85617.93617.92816.98716.41217.00221.16921.38921.68722.52923.85324.41624.37225.59925.92826.30426.488	32.34030.20430.37529.06129.10831.45832.36031.32332.19831.76830.48033.62134.55033.83335.17035.20734.83734.83335.75435.74936.94934.91635.38334.38734.18833.85533.55933.91535.69836.60434.98335.29634.27232.94331.78734.73936.69937.50236.97538.32738.43537.76938.05537.33536.57036.81039.38240.46639.04339.94040.33441.37439.49139.78738.63337.29436.260	18.32817.67416.58015.83214.50315.62515.27715.24914.26914.04513.50314.76514.00116.05916.62518.01818.04319.51917.21316.68416.50316.95016.92917.61119.07019.94819.42321.18215.49715.31914.51313.09012.15712.28111.52710.71112.77512.19713.12412.89813.28512.32210.97110.38411.30012.51113.62213.08614.80315.58214.93815.26114.04513.31812.35813.01011.948	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	18.4816.8915.7314.8015.1415.7415.8816.0117.3315.5616.5418.0518.7420.0420.8020.4222.0823.2524.4021.8122.8721.8621.0022.5423.9028.3324.7528.9720.1520.4519.5318.6017.8914.4916.3517.6920.3919.5221.6122.5922.1521.1521.4922.9519.9120.3624.7225.0625.6426.6128.5928.8529.3931.0830.5228.7829.48	ONCCSCONCCOCONCCCCCCONCCCCOOCONCCCCCCONCCCNCNCCONCCONCCCC

原子	2091	CD2	LEU A	129	27.570	37.454	13.848	1.00	29.78	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	209520962097209921012104210521072109211121132115211621172119212121242127212821292130213121322134213621382140214421452146214821502153215621572158216121622163216521672170217321742175217621772178218021822184218721912195219621972199	CONCACBCGCD1CE1CZCE2CD2CONCACBCGCDOE1OE2CONCACBOG1CG2CONCACBCGCDOE1NE2CONCACBCGCDOE1OE2CONCACBCG1CD1CG2CONCA	LEU ALEU APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATHR ATHR ATHR ATHR ATHR ATHR ATHR AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE AARG AARG A	129129130130130130130130130130130130130131131131131131131131131131132132132132132132132133133133133133133133133133134134134134134134134134134141141141141141141141141142142	25.46526.43724.25124.00023.28024.04323.51324.22325.48126.03125.31423.21122.73023.09022.33921.78720.51019.93619.81619.57523.16922.60724.49725.43726.69027.05526.39825.90526.99625.08025.48025.22926.48827.36027.73127.69024.75224.30024.66724.00323.61723.18524.33624.80724.76222.76821.84822.53022.17423.27723.76724.80722.73021.85822.57020.77020.240	41.06141.79641.30442.32241.66440.50239.22238.15038.35739.63540.69443.52444.31943.66244.77144.37443.53343.10843.96841.91246.06447.15445.92847.06746.79845.40447.07047.36547.91847.00347.04345.66944.99544.43345.15243.14948.17449.13148.06849.06248.40849.36950.18851.13249.90249.73949.07845.49144.14143.49644.45843.86542.24243.24743.25242.49641.637	12.49112.29412.01211.0019.8319.2449.2638.7388.1888.1798.70111.50710.70412.82813.43014.81414.71916.06916.96916.22213.48713.47313.50813.43814.34414.30215.82011.99411.78311.0099.6008.9518.4209.53410.4669.4388.8629.5017.5296.6655.3184.2103.6314.3062.4897.2957.7924.6774.2593.3972.3101.3952.7175.4676.4705.3306.374	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	34.3133.4137.3240.6940.2339.8239.1338.3938.4339.4539.0444.2744.6149.1552.7853.2954.4556.2558.6356.7155.7156.4659.2461.7862.1863.0062.6563.6763.8665.7167.3067.5568.2969.1069.6969.2968.4368.6869.6670.6070.9672.2673.6274.2974.2770.7171.0143.4043.3243.9945.3246.2145.5641.8541.7239.3237.96	CONCCCCCCCCCONCCCCOOCONCCOCCONCCCCONCONCCCCOOCONCCCCCCONC

原子	2201	CB	ARG A	142	19.111	42.381	7.095	1.00	39.03	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	220422072210221222132216221922202221222322252227223122352236223722392241224422472250225322572258225922612263226522682272227622772278228022832284228522872289229222942298230223032304230623082312231323142316231823222323232423262329	CGCDNECZNH1NH2CONCACBCG1CG2CONCACBCGCDCENZCONCACBCG1CD1CG2CONCACONCACBCGCD1CD2CONCACBCONCACBCONCAC	ARG AARG AARG AARG AARG AARG AARG AARG AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA AALA AALA AALA AALA AALA AGLY AGLY AGLY A	142142142142142142142142143143143143143143143144144144144144144144144144145145145145145145145145146146146146147147147147147147147147148148148148148149149149149149150150150	19.54718.47418.48818.08717.63818.14119.73419.76919.25818.72719.69321.07419.83717.34116.87316.67015.39414.30414.27613.15212.84812.13015.60416.30914.95815.11615.94517.36718.27415.99813.78912.86813.66112.58113.10914.24612.30912.64212.93113.96914.13115.32911.52610.32111.91310.97310.77311.48912.68710.58410.97310.89010.0998.94910.6279.89110.627	43.63444.17645.63546.49746.06647.80940.31340.12639.40738.11936.97037.25036.82637.84638.54736.88936.36436.48937.80037.78739.18039.14934.87934.19034.36932.95632.84733.36133.46031.40432.24832.77231.12930.19228.94828.50428.39927.15327.41328.44428.57328.10426.11926.44424.85923.77123.40022.58422.47421.67820.48020.73919.33719.54618.13216.94815.911	7.8478.7858.9207.9726.7918.2095.7664.5476.6246.1906.5705.9448.0746.7427.6306.1346.6245.5514.7823.7443.1711.8596.9366.1817.9898.3959.6999.44810.62210.2038.5409.2227.8568.0458.7708.4809.68110.38211.87812.29813.78011.65410.24010.25810.1039.9778.54710.78111.09511.13311.89413.37411.48511.07711.56411.17210.373	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	42.6749.2054.6158.2059.5359.5934.6533.5031.1828.4528.4427.5825.8426.6926.5325.1825.1825.7130.7034.6137.2738.4222.8421.7821.4220.1119.8817.5215.0820.5019.5220.6618.9819.6620.0618.6519.9420.0519.5320.5021.2920.0420.5120.7720.0619.9020.2420.8119.5720.8721.1422.3021.5121.2820.4520.9821.81	CCNCNNCONCCCCCONCCCCCNCONCCCCCCONCCONCCCCCCONCCCONCCCONCC

原子	2330	O	GLY A	150	11.853	15.772	10.443	1.00	22.50	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	233123332335233823392341234323452347234823492351235323552358236223662367236823702372237523772378237923812383238623892390239423952396239824002403240524092413241424152417241924212425242924302431243324352438243924412443244524472449	NCACBCGND1CE1NE2CD2CONCACBCG1CD1CG2CONCACBOGCONCACBCGSDCECNCACBCGCD1CD2CONCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2C	HIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AILE AILE AILE AILE AILE AILE AILE AILE ASER ASER ASER ASER ASER ASER AMET AMET AMET AMET AMET AMET AMET AMET ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE A	151151151151151151151151151151152152152152152152152152153153153153153153154154154154154154154154155155155155155155155155156156156156156156156157157157157157157157157157157	9.86310.3809.2638.3458.7977.7606.6596.99511.08610.57412.25413.03314.26213.83414.88615.18813.47313.90413.39213.92312.88311.71315.13815.17316.13917.30318.60919.82821.35522.25817.32517.11817.57817.76916.78917.04016.89916.04719.21319.65219.91221.18322.31723.60922.49420.98320.45021.38321.24219.98119.97320.33920.36619.97419.62219.59322.513	15.15914.07513.15812.66112.00111.67312.11012.72214.68615.61114.14614.55515.38116.62417.16615.81413.30712.31413.34712.30411.84811.33512.87914.04512.06012.43912.29212.12811.64612.96811.51210.30012.08411.35411.88011.3919.86012.05211.56312.67710.48810.5469.8159.90010.4469.9128.81810.62310.14210.71112.19012.78514.17414.94514.35912.97810.457	9.6098.8498.3459.42110.54811.30310.7169.5347.6587.0267.3606.1856.6567.4308.3385.4685.4616.0834.1343.2842.2492.8502.5302.1672.3411.5412.3281.4152.1831.6880.3400.484-0.840-2.057-3.116-4.518-4.611-5.506-2.575-2.556-2.936-3.657-2.908-3.717-1.558-5.018-5.151-6.056-7.395-8.046-8.165-9.340-9.452-8.408-7.238-7.118-8.148	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	21.7522.1123.5228.0133.3133.8732.0232.0621.6821.8120.7619.8819.7320.0522.5721.2620.5219.7020.7820.8522.1023.9420.7220.6920.7121.6022.3626.5533.8935.9120.7421.2218.6318.2618.1419.5120.6222.2317.0618.8216.7916.8317.2518.3516.9417.5817.0217.8618.1618.1318.6715.8817.9119.4419.6119.6216.65	NCCCNCNCCONCCCCCCONCCOCONCCCSCCONCCCCCCONCCCCCONCCCCCCCCC

原子	2450	O	PHE A	157	23.355	11.227	-7.676	1.00	16.20	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	245124532456245724582460246224652466246724682469247024722474247724802481248224832484248524872489249124932497249824992501250325062507250925112513251525162517251925212524252625272528253025322535253625382540254225442545254625482550	NCACONCACBCGOD1OD2CONCACBCGCDOE1OE2CONCACBOG1CG2CONCACBND1CE1NE2CD2CONCACBOGCONCACBCGND1CE1NE2CD2CONCACB	GLY AGLY AGLY AGLY AASP AASP AASP AASP AASP AASP AASP AASP AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATHR ATHR ATHR ATHR ATHR ATHR ATHR AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ASER ASER ASER ASER ASER ASER AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS APHE APHE APHE A	158158158158159159159159159159159159160160160160160160160160160161161161161161161161162162162162162162162162162162163163163163163163164164164164164164164164164164165165165	22.68723.87624.24723.47125.45425.99226.03226.87427.69726.87227.33927.63528.16429.34029.90529.04429.12030.21428.06630.39231.33230.27531.26931.93130.93932.46930.76831.58829.44928.86728.31929.31730.55231.23330.46529.27327.74426.97027.65626.61927.15427.69026.08026.79424.80424.07723.20223.98324.56725.26825.16624.36323.19322.73122.89621.85822.486	9.8009.9568.7327.7838.7737.7018.0789.3159.7079.9347.2947.5226.6456.0464.9813.7302.9322.8332.3937.0986.8048.2899.3369.77610.2518.64110.55811.30910.76011.93512.92413.32313.86114.06913.73213.24411.56810.65812.28312.15311.48910.21413.50314.53413.50814.68215.32815.74716.98717.06315.91215.06914.21913.05215.11114.83514.520	-9.264-10.065-10.828-10.966-11.357-12.151-13.656-13.968-13.111-15.082-11.596-10.411-12.411-11.862-12.811-12.850-11.568-10.964-11.151-11.570-10.880-12.152-11.923-13.228-14.136-13.933-11.154-10.625-11.087-10.456-11.507-12.544-12.227-13.341-14.363-13.890-9.523-9.827-8.415-7.416-6.160-6.444-7.019-7.013-6.696-6.219-7.329-8.512-8.598-9.714-10.349-9.617-5.109-5.124-4.178-3.179-1.831	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	15.3916.1117.7215.3617.7918.6818.8219.8518.6719.0719.1718.1119.7421.4523.7328.8135.8542.4845.4419.3820.8718.5718.1119.5024.8721.2417.6718.4415.5114.8116.3822.2430.0428.2229.0725.7913.2814.1911.4611.1212.1113.7011.5212.2412.4812.6613.7815.8116.1917.3616.3016.6513.5615.8713.0813.7614.05	NCCONCCCOOCONCCCCOOCONCCOCCONCCCNCNCCONCCOCONCCCNCNCCONCC

原子	2553	CG	PHE A	165	22.862	15.736	-1.063	1.00	14.54	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	255425562558256025622564256525662568257025732575257925832584258525872589259125952599260026012603260526072610261426182619262026222625262626272629263126342637263826392642264326442646264826522653265426562658266026642668266926702672	CD1CE1CZCE2CD2CONCACBCGCD1CD2CONCACBCG1CG2CONCACBCG1CD1CG2CONCACONCACBCGCDOE1NE2CONCACBCONCACBCG1CG2CONCA	PHE APHE APHE APHE APHE APHE APHE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AALA AALA AALA AALA AALA AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASP AASP A	165165165165165165165166166166166166166166166167167167167167167167168168168168168168168168169169169169170170170170170170170170170171171171171171172172172172172172172173173	21.99222.30623.48324.36924.04620.86421.16719.69918.55017.44417.64616.35818.13317.92317.84017.45516.47516.73517.99416.84715.05014.83514.11912.74512.53313.52713.55111.08011.79012.16910.5379.4928.7699.0827.7776.9605.6974.6164.1473.8014.1377.7547.5708.6829.50410.31810.43010.65610.88911.65612.26312.86513.36610.75711.1059.5858.575	16.25917.39318.03517.54316.38015.98817.14615.64216.51416.23716.42916.18317.84016.09314.88817.04616.66917.27716.64818.74517.01118.03816.13216.06114.71914.53915.64814.57616.07415.64016.49616.26517.48418.61117.27818.41417.97719.08519.77919.12121.10519.45020.63519.02619.96519.22420.80021.96720.19620.87819.86720.54119.03021.91523.09321.47122.402	-0.1340.5760.320-0.613-1.316-3.031-3.359-2.479-2.290-3.339-4.807-5.579-5.038-0.996-0.726-0.2050.8162.2022.8312.1740.307-0.4110.7090.199-0.531-1.674-2.628-1.0441.3802.4441.1732.1802.6812.3143.5644.0134.7984.9653.6422.6443.6544.7854.5615.6466.3967.4435.4585.7024.3793.3302.3521.1143.0592.6162.5172.1661.630	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	16.0917.1816.2415.2115.2115.0415.2216.9119.3621.8524.8427.1929.3218.3418.6217.6118.5918.1517.2218.3820.7620.6521.4923.2024.2528.8329.8327.3323.4521.8223.9824.4824.9423.4426.6427.0627.8030.5532.8536.0233.6726.4327.0726.0724.9625.1023.2822.8923.0623.3023.7725.8123.9124.9124.0025.4626.89	CCCCCCONCCCCCCONCCCCCONCCCCCCONCCONCCCCONCONCCCONCCCCCONC

原子	2674	CB	ASP A	173	7.229	21.694	1.314	1.00	27.25	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	267726782679268026812682268426862689269026912692269326942696269827002704270827092710271227142717272027232725272627292732273327342736273827412743274727512752275327552757276127622763276527672770277327742775277827792780278227842787	CGOD1OD2CONCACBCGOD1OD2CONCACBCG1CG2CONCACBCGCDNECZNH1NH2CONCACBCGCD1CD2CONCACBCONCACBCGCDOE1NE2CONCACBCG	ASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AVAL AVAL AVAL AVAL AVAL AVAL AVAL AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AASN AASN AASN AASN A	173173173173173174174174174174174174174175175175175175175175176176176176176176176176176176176177177177177177177177177178178178178178179179179179179179179179179180180180180	7.3758.3826.5208.3048.3658.0337.7017.4396.1825.3405.9878.7868.50010.05811.10012.48713.21513.30511.15911.40310.89710.83510.75010.52711.77512.64913.81714.26214.5399.6159.7248.4667.2366.0605.6644.5405.2597.4407.0788.0748.3608.9759.2739.04310.32411.27212.53213.42613.08713.25612.59510.65110.9329.8349.2809.0658.269	20.50020.43319.57123.51924.66423.17024.12923.40422.55422.73621.63125.16026.33524.74925.68825.00624.70625.86226.80727.97026.43927.39526.63827.52228.13227.10627.34528.58426.33528.30829.52527.71128.48427.55226.63025.74427.42729.48430.64729.02629.83728.96331.02132.12730.79531.86131.28232.33232.54333.64831.49732.97434.14632.62033.67433.23031.971	0.408-0.3070.3312.6332.2783.8894.9526.2876.2685.3447.1095.2005.5055.1275.5065.7544.4686.6924.4684.8143.2232.1220.801-0.433-0.982-1.552-2.137-2.269-2.5992.2772.1172.5812.8363.1321.9762.4150.7433.9773.8585.0556.2277.3085.9376.4165.1534.8314.1693.4771.9991.4891.3223.9494.1562.9682.1040.6360.501	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	30.1430.0934.3526.4926.9627.4927.1327.5629.8730.4132.3627.3727.2927.4826.9226.1025.5326.0228.1528.3729.3431.7532.4936.5940.5144.5744.9446.3445.5131.9631.8232.5133.4233.4033.8634.6734.3133.2933.5933.7133.8033.6035.1234.8636.8838.1538.6041.8045.0549.1945.9538.8638.2240.3941.8342.1943.48	COOCONCCCOOCONCCCCCONCCCCNCNNCONCCCCCCONCCCONCCCCONCONCCC

原子	2788	OD1	ASN A	180	7.218	31.811	1.132	1.00	49.01	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	278927922793279427962798280128042805280928102811281328152819282028212823282528282831283228332836283728382840284228452848284928532854285528572859286228632864286728682869287128732876287728782879288028812883288528872891289528962897	ND2CONCACBCGSDCECONCACBCONCACBCGCDOE1NE2CONCACBCGSDCECONCACBCGOD1ND2CONCACBCGOD1OD2CONCACBCG1CG2CON	ASN AASN AASN AMET AMET AMET AMET AMET AMET AMET AMET AALA AALA AALA AALA AALA AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AMET AMET AMET AMET AMET AMET AMET AMET AASN AASN AASN AASN AASN AASN AASN AASN AASP AASP AASP AASP AASP AASP AASP AASP AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE A	180180180181181181181181181181181182182182182182183183183183183183183183183184184184184184184184184185185185185185185185185186186186186186186186186187187187187187187187188	8.7438.0767.6377.5846.7185.9514.9894.2594.3687.5347.1128.6999.57610.9359.7999.8659.88710.4359.6788.1937.9318.5757.01211.88812.31912.64614.00214.62115.17416.67516.22114.01413.19614.95515.19515.19215.65216.71914.82814.27114.43613.35312.40511.10810.26510.5789.25112.92513.70012.43912.54113.21913.34014.57211.10210.32910.748	31.06734.43535.42434.00234.83533.99433.00332.01630.38435.83536.96835.40836.28335.59037.61537.66838.67939.94741.11741.17441.14341.87740.28539.96639.07340.97041.15342.46142.37441.35940.27741.16941.83240.41640.32441.71741.69441.17242.26539.35539.18438.69537.77537.69638.95039.91539.01236.34035.89335.61934.17033.74532.20434.42533.66334.03532.855	-0.3552.7052.1243.8754.7335.7495.1606.4785.7405.5385.7426.0146.7767.0346.0664.8386.8566.4137.0586.7415.2544.4994.8196.8647.5996.4396.9276.4154.9874.8063.5278.4439.0659.00710.43111.08612.54212.87413.42511.17612.36410.48011.11010.33310.42711.1719.73411.17910.33312.17912.25913.54813.63813.70112.26713.15911.273	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	42.5142.2642.2242.6942.5542.4743.3844.2144.2842.8942.8442.5942.5742.6842.5642.7942.0441.9242.3743.9847.0450.8649.4741.3141.4739.8439.3539.9041.4145.3245.7137.9637.2636.0534.8036.0039.7844.9844.6732.1932.0629.6127.7728.0627.9829.8028.8626.7724.6825.2224.9424.8524.9925.1324.8624.8724.05	NCONCCCSCCONCCCONCCCCONCONCCCSCCONCCCONCONCCCOOCONCCCCCON

原子	2899	CA	ILE A	188	9.440	32.243	11.158	1.00	25.37	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	2901290329062910291429152916291829202923292529292933293429352937293 92942294429452946294729492952295529582959296029622964296729682969297229732974297629782981298229832984298629882991299229942996299729983000300230043006300730083010	CBCG1CD1CG2CONCACBCGCD1CD2CONCACBOGCONCACBCGCDCONCACBCGOD1ND2CONCACBSGCONCACBCGCD1NE1CE2CD2CE3CZ3CH2CZ2CONCA	ILE AILE AILE AILE AILE AILE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ASER ASER ASER ASER ASER ASER APRO APRO APRO APRO APRO APRO APRO AASN AASN AASN AASN AASN AASN AASN AASN ACYS ACYS ACYS ACYS ACYS ACYS ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP AGLN AGLN A	188188188188188188189189189189189189189189190190190190190190191191191191191191191192192192192192192192192193193193193193193194194194194194194194194194194194194194194195195	8.8578.7767.9177.4809.55610.4598.6208.5198.2279.0168.66610.5377.3946.3107.6316.5917.1627.5485.5085.7854.3023.2742.1372.3023.8053.7763.6894.3314.8225.2845.4176.3584.4725.9425.9826.8447.8778.84510.2317.2577.6496.2545.5184.5253.5602.1791.6232.6153.8525.0254.9393.7032.5374.8064.8354.2473.582	32.46333.95334.76231.77430.73830.09930.18328.75128.47529.24128.80929.04228.19428.76827.07126.34225.09224.19925.91325.87325.58125.04924.64725.55625.63723.88324.00722.83521.65920.57019.21818.44618.90122.03121.56122.90823.42224.34624.92324.10523.85824.94725.54426.59127.15527.20227.83228.24127.83028.14128.82529.18228.89624.47224.55023.44822.330	9.7529.41610.3239.63111.38210.84312.15412.38013.85114.89616.29414.65411.54511.51910.87810.1839.55610.57611.17812.36310.70611.61710.6819.5029.31712.45213.66811.84512.58911.62912.29312.00513.17513.55714.70013.12514.02313.27714.28115.23716.36515.02416.15115.62216.61016.47217.55618.40317.84018.53119.72620.26019.60817.00318.21516.36117.057	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	25.5927.5429.1824.9125.8724.2225.0825.2524.4424.0523.5225.8526.0027.4025.9925.3425.9724.8026.1925.1426.6827.4027.3028.3026.8527.5228.5727.9328.0227.9230.0929.7528.4728.2428.6928.5227.6527.5226.8927.8227.3427.6227.8627.9527.8729.9629.7427.0326.9825.1526.7729.3525.9327.5027.6329.5830.81	CCCCCONCCCCCCONCCOCONCCCCCONCCCONCONCCSCONCCCCNCCCCCCCONC

原子	3012	CB	GLN A	195	2.928	21.405	16.016	1.00	32.46	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	301530183019302030233024302530273029303230343038304230433044304630483051305230533054305630583061306230633064306530663068307030733076307930813082308530883089309030923094309730993100310131033105310831113112311631173118312031223124	CGCDOE1NE2CONCACBCGCD1CD2CONCACBSGCONCACBCGOD1OD2CONCACBCGCDNECZNH1NH2CONCACBOGCONCACBCGSDCECONCACBCG1	GLN AGLN AGLN AGLN AGLN AGLN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ACYS ACYS ACYS ACYS ACYS ACYS AASP AASP AASP AASP AASP AASP AASP AASP AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ASER ASER ASER ASER ASER ASER AMET AMET AMET AMET AMET AMET AMET AMET AILE AILE AILE AILE A	195195195195195195196196196196196196196196197197197197197197198198198198198198198198199199199199199199199199199199199200200200200200200201201201201201201201201202202202202	2.1550.7810.665-0.2644.5494.1565.8136.7957.7007.1038.0916.6497.6668.3617.6418.6248.8307.5498.2997.2169.2609.13310.46510.28711.2659.1678.5409.2567.2126.4994.9944.6203.1732.9291.7390.6531.6196.7826.4757.3497.7067.9469.1948.9539.2429.73710.93511.88912.37813.41214.99410.65711.4309.5779.4329.6988.859	20.19520.58021.19020.23421.52920.98321.44620.56719.91918.83618.42017.64821.29520.65722.62123.38524.76225.97223.54423.16524.08824.35124.26924.47024.39124.75225.73726.72525.78027.05926.84926.18626.07925.48225.39925.83224.86127.92229.09527.35028.12627.19126.51428.96529.87028.63429.40228.54427.29527.76328.07830.71131.63530.77131.82931.27630.029	16.56817.10518.18516.34917.93218.98017.50718.14817.10616.21815.15917.05719.14319.94119.13019.86919.23019.65321.34021.79622.07523.49624.25225.74526.53126.22823.65523.74823.70423.67723.55422.26922.01720.69920.12520.75718.92224.87324.84325.92827.11928.30928.15026.91027.68325.89625.59524.75425.46926.85526.13124.85024.97524.07723.08621.67421.409	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	37.3543.1345.4246.0331.1531.1129.7129.5529.5730.4732.4833.4028.6829.9128.0827.6927.6928.4029.0428.9829.2329.9930.8631.5129.9231.7330.7030.5330.8932.2031.7732.2331.5333.1332.8435.5733.0232.0132.7632.5433.0433.1334.9433.7233.3634.0934.6834.4735.5637.3040.9534.4133.7834.8835.9136.0434.62	CCONCONCCCCCCONCCSCONCCCOOCONCCCCNCNNCONCCOCONCCCSCCONCCC

原子	3127	CD1	ILE A	202	8.765	29.653	19.972	1.00	35.40	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	313131353136313731393141314431473148314931503151315231543156315831613165316931703171317331753178318131823183318431853186318831903193319531963197319932013203320732113212321332143216321932223225322632273229323132343235323632373238	CG2CONCACBCGCDOE1OE2CONCACBCG1CD1CG2CONCACBCGCDOE1OE2CONCACBOGCONCACBCG1CG2CONCACBCGCDCONCACBCGOD1OD2CO	ILE AILE AILE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ASER ASER ASER ASER ASER ASER AVAL AVAL AVAL AVAL AVAL AVAL AVAL APRO APRO APRO APRO APRO APRO APRO AASP AASP AASP AASP AASP AASP AASP AASP A	202202202203203203203203203203203203204204204204204204204204205205205205205205205205205206206206206206206207207207207207207207208208208208208208208209209209209209209209209	11.1878.0797.0408.1326.9647.2127.7257.4297.8666.7666.8077.7165.6875.4285.0563.7102.4596.1684.3684.0283.8782.9123.6182.7583.5403.9883.7282.3813.1531.0660.453-1.077-1.6190.8741.3790.6770.9572.0942.3963.348-0.342-0.831-0.928-2.217-2.209-1.464-0.426-2.387-1.532-3.474-3.821-4.128-5.060-4.932-5.929-2.750-2.517	30.94832.53931.94633.81634.65836.01135.88137.09038.20936.89834.82835.33434.36434.40732.97532.45432.76632.00435.45036.32935.31936.20237.47638.51239.78740.04640.50835.45534.85935.45234.83234.81236.10335.57036.69234.89935.46334.69335.31534.63735.33134.22136.46236.46737.82738.70837.83235.33035.13334.57433.51034.10935.31036.23135.41732.43631.869	21.51723.11023.43022.75622.53923.18824.61525.46625.08626.50621.04620.40920.50319.07718.50919.06218.19218.80118.70619.50117.47916.88716.45815.79115.59114.45116.59415.67714.89615.52714.36514.50014.27613.09313.12811.97210.6639.9478.58810.8279.8789.6639.4928.7938.1029.0829.7237.7736.9107.9066.9555.5785.6694.8326.5746.8535.783	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	36.1937.2636.5738.9140.8541.6445.7049.6452.4650.2341.0441.1741.5842.5342.4742.5843.3341.9743.7844.0844.5945.6846.1748.2951.1052.2152.9546.3244.9346.8547.8647.9348.7948.2847.4349.8350.8951.0151.1150.8551.8751.6653.2553.8053.8653.8353.4654.3854.7654.8055.2355.4856.4856.1458.1154.9155.49	CCONCCCCOOCONCCCCCCONCCCCOOCONCCOCONCCCCCONCCCCCONCCCOOCO

原子	3239	N	GLN A	210	-2.118	32.163	7.990	1.00	54.49	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	324132433246324932503251325432553256325832603263326632693271327232753278327932803282328432883289329032923294329633003304330533063308331033133316331933223326332733283330333233343338334233433344334633483351335233533356335733583360	CACBCGCDOE1NE2CONCACBCGCDNECZNH1NH2CONCACBCONCACBCG1CG2CONCACBCGCDCENZCONCACBCG1CG2CONCACBCGOD1ND2CONCA	GLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AALA AALA AALA AALA AALA AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASN AASN AASN AASN AASN AASN AASN AASN APHE APHE A	210210210210210210210210211211211211211211211211211211211212212212212212213213213213213213213214214214214214214214214214215215215215215215215216216216216216216216216217217	-1.0440.3180.5380.6460.6260.763-1.035-1.161-0.860-0.613-1.103-2.622-3.117-2.386-1.407-1.012-0.8210.8741.2421.7213.1203.9333.1352.1974.1864.3164.1392.7615.2195.6596.6305.7016.8936.6027.7527.3838.1867.6957.3586.5418.6669.27710.60211.29510.3329.59810.4178.9389.2318.0376.8466.9855.65710.40611.26810.43211.406	31.17931.84032.42631.37031.68830.11330.59131.33129.27228.62227.16827.02225.60024.91624.01923.65723.47128.66928.24229.17629.45729.75930.64331.43830.75731.83931.34730.73930.34732.53531.96733.76734.57435.99536.96938.39339.45540.80434.58934.67234.44034.52333.72033.94532.26935.95436.57336.51437.88238.54738.68338.96738.49437.89438.73536.94936.948	8.1037.8646.4815.4054.2215.8079.51210.4949.61110.90410.89610.71010.4999.4329.60710.8298.54311.27712.36910.37410.7059.44511.63111.62912.43413.40314.86615.07315.24913.30312.77613.81013.86113.37013.57913.09013.82513.50715.29516.21615.49216.81616.90418.25116.64917.12916.45818.14218.53619.23018.32417.13018.88019.45119.32420.38621.477	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	53.6853.9654.5055.8057.9957.0152.6552.5150.9849.9850.3852.1053.8255.6756.0456.8555.6448.1348.5145.5743.6043.2841.8042.0539.1137.5237.9336.7837.1736.8536.2934.8134.1233.9434.4935.8536.4738.9733.7833.3033.2933.3333.0131.7732.3534.9234.4736.6637.6438.3640.3243.3343.5838.0337.8039.8140.83	CCCCONCONCCCCNCNNCONCCCONCCCCCONCCCCCNCONCCCCCONCCCONCONC

原子	3362	CB	PHE A	217	10.880	37.768	22.671	1.00	41.27	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	336533663368337033723374337633773378338033823385338733913395339633973399340134043407341034133417341834193420342234253428343134323433343434363439344234453446344734483450345334563459346034613463346534683469347034733474347534773479	CGCD1CE1CZCE2CD2CONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCGCDCONCACBCGCDCONCACBCGCDCONCACBCGOD1ND2CONCACB	PHE APHE APHE APHE APHE APHE APHE APHE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO AASN AASN AASN AASN AASN AASN AASN AASN APHE APHE APHE A	217217217217217217217217218218218218218218218218219219219219219219219219219220220220220220220220221221221221221221221222222222222222222222223223223223223223223223224224224	10.57511.60711.33010.0148.9689.25811.68110.80012.91513.28614.57915.15314.34316.60613.46714.42512.50712.42911.22610.91011.77011.31112.45312.29311.17813.42913.48514.95915.66314.75813.14113.32212.73112.46112.36611.85412.49313.57414.73313.20614.14413.31312.00811.82215.42916.42615.44416.71516.54016.22115.42516.84217.35118.17516.95917.55216.720	39.20540.13441.46141.87440.94939.62335.52434.64935.30134.07433.47732.29531.04632.07434.50935.21534.11534.52135.46135.87537.03437.53537.95633.24232.73532.72831.41031.03732.38233.37931.51532.60330.41030.37928.88428.28929.09330.99131.05031.46132.00532.04132.32831.61131.27131.98529.94829.25628.21228.84529.80328.32528.59027.68529.04728.57829.037	22.34422.20821.88921.70021.82322.14421.96721.95322.38523.06422.49223.27422.99522.92524.50124.82525.33126.72626.91528.35828.83730.22131.10827.57227.79528.02928.67228.53328.68528.00430.15230.70230.78332.23132.53331.28830.16933.08132.67534.26735.23936.52536.06534.74435.49435.54635.67735.97037.07638.42438.51039.48534.74034.87733.55232.30631.138	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	42.6344.1844.8845.8745.4345.1841.5040.7842.3843.5243.5844.3044.2045.0843.9143.9944.1844.7245.1947.7050.0350.5651.8944.1143.9943.2442.7442.7843.4843.5042.0741.8241.0940.0440.2341.7441.3339.2237.4638.4737.8938.0537.9239.1637.5338.3636.8236.8638.0241.6548.1543.6034.6733.8932.8531.0331.37	CCCCCCCONCCCCCCONCCCCCNCONCCCCCONCCCCCONCCCCCONCCCONCONCC

原子	3583	CG	PHE A	230	24.936	24.244	22.993	1.00	15.99	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	358435863588359035923594359535963598360036023604360836093610361236143617362036233626363036313632363436363639364036413642364436463648365036543655365636583660366236643668366936703672367436773678368036823684368636883689369036923694	CD1CE1CZCE2CD2CONCACBOG1CG2CONCACBCGCDCENZCONCACBSGCONCACBOG1CG2CONCACBOG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACB	PHE APHE APHE APHE APHE APHE APHE ATHR ATHR ATHR ATHR ATHR ATHR ATHR ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ACYS ACYS ACYS ACYS ACYS ACYS ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AMET AMET AMET A	230230230230230230230231231231231231231231232232232232232232232232232233233233233233233234234234234234234234235235235235235235235236236236236236236236236236236236237237237	26.21226.79426.11424.84124.24524.24024.18924.94825.79426.53127.46827.38524.94925.31723.77622.90121.65921.93420.64320.97719.82422.52122.61922.16321.80621.35819.77022.94622.62924.20525.32926.67226.96126.75125.38625.93924.78024.66123.83124.60323.53324.04524.39623.14922.41820.98920.42320.31819.82619.48419.62920.12522.99222.41724.14724.84525.250	23.71923.37623.56724.12324.44522.13621.19822.11020.97921.20222.26619.96019.72518.68619.79618.65118.94218.79919.07019.22318.85718.22017.06119.18518.91220.18020.79318.27917.55718.51117.94618.46718.12819.93016.43715.80315.84214.39714.02614.33212.53613.76012.64414.49314.04014.51514.05214.91314.45113.10712.23712.70414.51214.21815.18015.74117.194	22.94721.75920.58820.58821.79525.09124.29426.19326.48527.76127.59728.09326.54526.00127.19627.23928.09029.57330.43431.93032.83825.83625.49025.00523.65622.97223.57022.81521.90123.16822.36822.73724.11222.62722.43621.53723.47923.54624.78925.94624.80322.31921.94421.66120.49920.67521.96323.03924.23924.38623.32622.13419.18018.15019.23518.04218.259	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	16.4015.8314.3516.5916.5616.0116.4417.7119.0419.7821.3720.7219.3318.7218.8420.2221.7525.3331.4935.3239.3419.2519.6317.2316.7316.1918.4614.9315.3216.2016.7917.3816.9018.4318.1316.5018.0818.3720.2720.2020.8519.0420.6218.1018.4319.3620.9724.1527.5325.5428.1624.1917.6319.1616.3415.5616.20	CCCCCCONCCOCCONCCCCCNCONCCSCONCCOCCONCCOCCONCCCCCCCCCONCC

原子	3482	CG	PHE A	224	17.114	28.413	29.833	1.00	30.55	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	348334 853487348934913493349434953497349935023503350435073508350935113513351635173519352135233525352735283529353135333536353735383539354035413543354535483551355235533554355535563558356035633564356635683570357235743575357635783580	CD1CE1CZCE2CD2CONCACBCGOD1ND2CONCACBCGCD1CE1CZCE2CD2CONCACBCGOD1OD2CONCACBCGCDOE1OE2CONCACBCGCD1CE1CZCE2CD2CONCACB	PHE APHE APHE APHE APHE APHE APHE AASN AASN AASN AASN AASN AASN AASN AASN APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE A	224224224224224224224225225225225225225225225226226226226226226226226226226226227227227227227227227227228228228228228228228228228229229229229229229229229229229229230230230	16.80817.16717.80218.11217.76018.98419.31219.85421.21822.21523.64224.10224.34121.52821.61421.62921.70121.68521.65620.47920.44421.63322.80122.83622.91322.82724.01825.26626.44026.79527.53626.38725.11125.50424.49724.26723.79124.82024.17724.81723.02823.24723.35422.25321.23420.16119.12718.20517.23517.17618.09119.05821.87021.60222.73123.42724.287	27.08226.51827.29028.60129.16429.08030.23528.19828.59328.09428.57129.57927.86127.98926.78228.82328.28929.35628.75428.22127.59827.46727.96928.58427.39226.34127.77727.02327.75329.04029.84229.36525.61924.65925.46624.12724.20824.70925.15125.96624.70523.33922.12524.03723.45024.46923.96523.01422.56423.06524.01424.43822.94721.84223.77223.40124.552	29.56928.36627.40827.65728.87432.11532.38031.64631.32032.37032.08432.63931.20629.94929.85228.91227.54726.45625.09524.58623.36122.63823.13924.38027.36626.70027.98127.85128.50427.79528.40926.64828.41827.78329.59430.13831.58732.56233.85434.54134.15329.32429.18528.79027.94127.60926.67127.07326.21324.91124.52125.37426.64026.19726.09024.85924.336	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	30.1830.9829.4130.7531.7029.9129.7828.5327.6228.6930.3136.8330.9326.1325.6225.4324.3024.1823.5220.4023.7220.0921.8223.9124.3623.5124.5225.3226.5130.1637.6934.1124.6323.8524.2423.3224.0228.3333.8139.0035.5121.7421.8319.6518.8118.5219.6923.4222.9323.5919.6619.4716.5416.3816.3915.8416.67	CCCCCCONCCCONCONCCCCCCCCCONCCCOOCONCCCCOOCONCCCCCCCCCONCC

原子	3697	CG	MET A	237	24.127	18.175	18.525	1.00	17.82	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	370037013705370637073709371137143715371737193721372337243725372737293732373337353737373837403742374437453746374837503753375437563758375937613763376537663767376837703773377637793780378137833785378837903791379237943797379837993801	SDCECONCACBCGND1CE1NE2CD2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCDCONCACBOGCONCACONCA	MET AMET AMET AMET AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APRO APRO APRO APRO APRO APRO APRO ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY AGLU AGLU A	237237237237238238238238238238238238238238239239239239239239239239239239239239240240240240240240240240240240240240241241241241241241241242242242242242242243243243243244244	24.79823.26126.07727.10625.95426.92426.38227.05728.29028.60827.63126.64328.30929.33228.36129.64829.57029.10227.84927.45628.29128.02229.49329.89030.12331.06829.53029.96729.03529.19628.83229.00329.54429.71229.91029.77531.41831.80532.28433.69534.30233.41632.03433.88333.32934.62334.74933.69532.38936.11536.90136.38137.64838.83138.85739.79940.979	19.76320.60414.89215.03614.01212.93212.12410.82110.4839.2698.8119.75613.47512.86314.61315.09015.18413.90813.79312.56111.49110.19411.62412.80016.40217.00216.85718.11418.50319.94020.93922.26122.62823.95321.63920.32018.06617.10718.93718.87420.08220.22619.93518.96319.86718.00017.90516.93517.26217.41516.92417.46616.95917.67118.89016.89417.480	18.97019.29817.76818.38716.79216.55715.41115.15015.66715.23614.48914.42116.22416.54415.52514.98813.46612.87812.28211.73811.87611.40612.45312.96515.56415.05616.67917.26918.43918.82117.93818.24619.43719.74720.36120.01717.70918.47717.19417.55816.85515.63816.10219.06019.70919.60621.05821.59021.19921.46420.65322.77023.26922.67722.56722.21521.643	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	18.9722.8714.9414.5613.9914.2315.1914.9916.6013.8317.5415.9114.5313.2012.6211.5112.4212.9517.2019.2718.7128.2318.8613.9311.7111.1411.3211.5410.7511.0312.7411.8111.2011.589.4312.0211.1110.359.6310.0210.429.189.4310.4411.1312.8913.4113.9215.0115.1014.1716.0917.4917.1619.0818.3119.76	SCCONCCCNCNCCONCCCCCCOCCCONCCCCCCOCCCONCCCCCONCCOCONCCONC

原子	3803	CB	GLU A	244	42.042	16.443	21.395	1.00	21.98	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	380638093810381138123813381438163818382138223824382638283830383138323834383638393842384538483852385338543856385838613862386338663867386838703872387538773881388538863887388938913894389639003904390539063908391039133916391939213922	CGCDOE1OE2CONCACBCGND1CE1NE2CD2CONCACBCGCDCENZCONCACBCGOD1ND2CONCACBCGCD1CD2CONCACBCGCD1CD2CONCACBCGCDNECZNH1	GLU AGLU AGLU AGLU AGLU AGLU AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AASN AASN AASN AASN AASN AASN AASN AASN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AARG AARG AARG AARG AARG AARG AARG AARG A	244244244244244244245245245245245245245245245245246246246246246246246246246247247247247247247247247248248248248248248248248249249249249249249249249250250250250250250250250	41.76443.08243.95643.26040.67641.50639.48239.09538.65539.74139.59940.72041.59640.99838.04537.47637.83136.85836.60137.65637.50336.24336.03037.24536.44238.45538.93340.43941.26940.93542.34338.65239.01638.07837.82538.18139.65239.84340.52336.35035.48636.01434.62634.52434.76135.04333.54133.89132.69234.62134.03733.88733.03932.89232.09731.98332.644	15.33014.73015.52613.48018.26119.04218.07518.77317.78916.84615.46514.90715.86417.08719.84920.31720.29221.30921.38322.12121.93222.60824.01922.70023.61122.82224.08324.23523.05721.85623.40224.15825.16323.11423.05921.66121.27719.84722.28323.29722.95323.89024.10725.22526.63727.43527.16122.86822.77921.90620.68620.68221.76521.73020.58320.10720.653	20.42119.90219.41920.00220.37119.97019.80418.57817.54117.12117.16716.73616.45816.67718.75317.76619.99320.29021.80222.58024.12024.66724.19019.75319.81619.23918.65218.89018.30718.46317.61517.13616.49816.55515.08514.54114.68514.28313.90414.84215.64513.70113.36812.31912.71011.49113.46512.83512.90912.30411.78010.2409.7058.2267.8616.6695.651	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	26.8036.7039.3339.7818.8719.9417.2716.0816.2018.5221.0021.3619.3517.0816.9014.6215.9616.1816.4821.0826.3130.4937.3915.6016.2216.1116.8918.0123.4625.7131.3716.4016.8214.6013.4114.5916.3017.8820.6212.1611.1010.289.999.1810.7812.4412.979.2210.999.478.618.929.4510.167.837.054.86	CCOOCONCCCNCNCCONCCCCCNCONCCCONCONCCCCCCONCCCCCCONCCCCNCN

原子	3925	NH2	ARG A	250	31.247	19.074	6.460	1.00	8.83	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	3928392939303932393439373939394339473948394939513953395739583959396139633966396739683969397139733975397739 813982398339853987399039 92399640004001400240044006400940124015401840224023402440254027403040334036403740384040404240454046	CONCACBCGCD1CD2CONCACBCONCACBSGCONCACBOG1CG2CONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCGCDCONCACBCGOD1	ARG AARG ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA ACYS ACYS ACYS ACYS ACYS ACYS ATHR ATHR ATHR ATHR ATHR ATHR ATHR ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APRO APRO APRO APRO APRO APRO APRO AASP AASP AASP AASP AASP A	250250251251251251251251251251252252252252252253253253253253253254254254254254254254255255255255255255255255256256256256256256256256256257257257257257257257258258258258258	34.95236.20834.34435.03834.10034.74235.62833.59735.71636.80935.10135.61934.63536.96337.67237.33838.67938.77037.69039.78040.94639.38940.29439.94038.74039.68740.27640.84239.56639.46638.58137.13536.72236.78940.85141.62341.15742.43943.16342.95544.21544.65844.33642.27141.19443.32343.26644.70645.18944.64042.71942.99141.90241.16340.02639.04539.085	19.52019.62218.42017.11915.99714.67614.82413.66116.83616.23817.25316.95817.43017.60317.17418.57719.15120.28621.70018.10618.32517.01115.96015.49814.72116.59514.71513.66614.76413.57913.92613.58813.79812.17713.17014.00511.87711.43510.54511.00411.43812.83113.85510.74510.22410.74910.06110.06911.32611.3728.6367.8868.2957.0567.0445.8885.128	12.10611.96112.50712.50912.87113.22914.45713.47211.18311.16010.0878.7727.7108.5227.6509.3289.26410.2799.9129.6339.28710.27410.75912.25712.28513.1869.90910.2848.8007.9536.7626.6835.2187.1307.4537.0707.4506.9848.0029.46110.1299.72010.7715.6535.3324.8763.5913.1533.6975.0593.7144.6852.7402.6623.6793.4942.517	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	8.559.2110.2310.4212.9614.2715.5317.1910.2711.349.048.589.249.369.789.3711.7812.3316.0212.7515.6612.8414.5114.5413.9517.0613.6512.4412.7313.9214.5620.2820.4619.0013.8213.1214.5015.8318.1021.8830.2631.5233.4813.8112.3514.3113.4214.8414.6714.9913.0312.4013.0212.0214.7917.5820.60	CONCCCCCCONCCCONCCSCONCCOCCONCCCCCCONCCCCCNCONCCCCCONCCCO

原子	4047	OD2	ASP A	258	38.160	5.703	4.346	1.00	25.89	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	404840494050405140534056405940624063406440664068407140744075407640774078407940814083408640884092409640974098410041024105410841094110411141124113411541174120412341244128412941304132413441374139414041414143414541484150415441584159	CONCACBCGCDCONCACBCGCDOE1OE2CONCACBCGCD1CD2CONCACBCGCDOE1OE2CONCACBCGSDCECONCACBOGCONCACBCGCD1CD2CO	ASP AASP APRO APRO APRO APRO APRO APRO APRO AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AMET AMET AMET AMET AMET AMET AMET AMET ASER ASER ASER ASER ASER ASER ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU A	258258259259259259259259259260260260260260260260260260261261261261261261261261262262262262262262262262262263263263263263263263263264264264264264264265265265265265265265265	40.65439.66741.35941.02942.03743.17042.59039.59339.03539.01937.63437.18737.93738.24337.29239.43836.66435.71236.91036.03136.34435.50334.02835.93936.19835.22237.44637.65939.15339.45140.89241.42941.45637.08836.53937.21036.49836.68737.84338.03036.41234.99934.44334.32232.91432.23632.72632.65731.74633.47233.20633.99033.69934.51532.18833.48132.793	7.0037.6816.3116.3505.3695.3415.5115.9516.5444.9774.5843.2822.0211.9641.6842.1945.7295.9686.4087.4817.9489.1458.9289.5288.6489.2208.97110.06810.34911.51212.02512.43912.0429.80810.7458.5748.2056.7146.5144.7734.2198.5419.0418.1988.5047.7188.0869.98710.51410.69612.12212.66012.03712.71211.89213.00114.003	1.2150.9060.316-1.114-1.739-0.7530.562-1.436-2.336-0.732-1.042-0.348-0.807-2.297-3.081-2.672-0.682-1.4150.4430.8642.2632.7492.6704.161-0.112-0.576-0.448-1.369-1.476-2.375-2.322-3.364-1.224-2.762-3.383-3.260-4.493-4.846-5.773-6.318-6.024-4.450-5.428-3.366-3.250-2.111-0.866-3.097-3.704-2.308-2.109-0.9320.4221.5000.751-3.316-3.529	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	11.789.1112.1413.1414.3715.9213.9113.2911.6013.3915.0617.3125.2233.4238.0938.9413.1012.6812.0811.7912.4313.6314.1714.479.8410.399.309.458.998.778.8510.299.1310.2110.0210.8913.0314.5020.5629.2724.5712.1813.7812.4313.1015.0422.9112.2913.658.558.568.069.4711.9610.918.0511.07	CONCCCCCONCCCCOOCONCCCCCCONCCCCOOCONCCCSCCONCCOCONCCCCCCO

原子	4160	N	GLN A	266	34.455	12.652	-4.119	1.00	9.25	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	416241644167417041714172417541764177417941814184418741904193419741984199420142034206420742094211421242144216421842194220422242244226423042344235423642384240424342464247425142524253425542574260426342644265426642674268427042724275	CACBCGCDOE1NE2CONCACBCGCDCENZCONCACBCGCD1CE1CZOHCE2CD2CONCACBCG1CG2CONCACBCGSDCECONCACBCGCDOE1OE2CONCACBOG	GLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AVAL AVAL AVAL AVAL AVAL AVAL AVAL AMET AMET AMET AMET AMET AMET AMET AMET AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ASER ASER ASER ASER A	266266266266266266266266267267267267267267267267267268268268268268268268268268268268268269269269269269269269270270270270270270270270271271271271271271271271271272272272272	34.84736.11836.08737.10636.80838.30733.75033.73032.86331.80931.09531.99531.24532.16533.21230.78130.01630.75329.85029.49128.71429.35928.65527.29026.63326.62327.33930.39729.66731.65932.41233.66234.54133.22632.84633.37232.68633.05932.70331.20730.69132.06734.55635.37434.89536.26136.25237.57637.47738.54536.37937.17138.31236.67237.51136.84235.535	13.52213.11211.86311.88012.15611.60613.57314.47412.56412.52911.15910.0038.6787.5667.23913.64313.92814.30415.42615.46014.28513.14712.06412.14011.04413.27614.33816.79817.78116.84818.06418.03919.23817.94018.14017.14519.31119.48120.90921.18122.28623.35519.27619.52818.81218.51618.00617.86517.33017.23316.99419.76019.64720.94422.15923.36923.527	-5.225-5.869-6.722-7.752-8.951-7.362-6.256-7.031-6.282-7.300-7.212-7.638-7.632-8.098-7.123-7.150-8.086-5.997-5.759-4.258-3.753-3.289-2.809-2.731-2.207-3.136-3.631-6.170-6.075-6.595-6.802-5.874-6.074-4.388-8.281-8.857-8.899-10.286-10.761-10.681-12.015-12.130-10.506-9.634-11.694-12.093-13.550-14.268-15.725-16.370-16.227-11.921-11.454-12.292-12.169-12.827-12.374	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.000.500.501.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	9.269.809.1314.1717.669.759.5610.739.8611.3711.8014.4221.5324.2029.2611.2412.3110.9710.779.4611.3413.9611.6514.0013.6510.2812.3712.5614.0612.5514.1814.6117.1717.3915.2515.8415.8716.5418.7223.4429.5822.1115.0812.6414.7815.9918.5425.8533.4837.2336.0513.9412.3213.0213.2214.8819.12	CCCCONCONCCCCCNCONCCCCCCOCCCONCCCCCONCCCSCCONCCCCOOCONCCO

原子	4277	C	SER A	272	37.838	22.488	-10.703	1.00	11.40	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	427842794281428342854288429242964297429843004302430543074311431543164317431943214324432743304333433743384339434143434346434943504351435443554356435843604362436543694373437443754377437943824383438443854386438743894391439443954396	ONCACBCG1CD1CG2CONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCGCDOE1NE2CONCACBCG1CD1CG2CONCACBCGOD1OD2CONCACBCGOD1ND2	SER AILE AILE AILE AILE AILE AILE AILE AILE ALEU ALEU ALEU ALEUALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AILE AILE AILE AILE AILE AILE AILE AILE AASP AASP AASP AASP AASP AASP AASP AASP AASN AASN AASN AASN AASN AASN A	272273273273273273273273273274274274274274274274274275275275275275275275275275276276276276276276276276276277277277277277277277277278278278278278278278278279279279279279279	38.90836.92637.16635.87234.85735.14636.19338.22539.12438.12239.07838.70237.40236.90537.65440.45441.45740.50941.80741.63342.93642.74544.04643.75442.50443.69341.70442.18941.09041.52540.42640.28839.69842.61743.67941.81942.09040.93239.78738.50841.38943.42344.19443.69644.92744.68443.82043.88743.08746.12447.21545.94947.01148.16947.77548.33946.896	23.02422.13422.35122.17723.30424.59322.16721.36521.71620.11519.11917.71817.17915.95316.86019.52419.28920.15020.62221.23121.27921.74721.80822.25421.60421.47122.51123.46724.49725.55226.49226.77026.99222.79723.10321.83621.14120.19121.01020.23919.00720.40120.29319.93119.17518.25317.04516.58716.51420.09419.61821.39322.36322.21722.46921.87223.391	-10.404-9.783-8.351-7.515-7.878-7.306-6.049-7.898-7.143-8.361-7.948-8.448-7.870-8.574-6.376-8.489-7.824-9.654-10.185-11.571-12.357-13.812-14.587-15.998-9.260-8.962-8.721-7.748-7.488-6.567-6.161-4.962-7.105-6.476-5.920-6.016-4.775-4.482-3.872-3.708-3.536-4.907-3.943-6.095-6.353-7.517-7.127-5.955-8.000-6.650-6.974-6.446-6.737-5.756-4.307-3.397-4.095	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	10.619.8810.089.2414.7623.0813.337.809.458.958.278.289.5611.5311.748.227.508.709.4810.7612.4519.7021.0923.439.577.909.669.5211.6413.7615.4522.1414.438.867.847.287.146.887.7810.068.037.248.718.119.238.2011.0611.7812.3510.1811.3411.0611.5611.6912.6921.2510.91	ONCCCCCCONCCCCCCONCCCCCNCONCCCCONCONCCCCCCONCCCOOCONCCCON

原子	4399	C	ASN A	279	47.507	22.319	-8.172	1.00	10.43	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	440044014403440544084411441444174421442244234425442744304433443444354438443944404442444444474449445344574458445944614463446644694470447144744475447644784481448244834485448744904491449344954496449845004502450345044506450845114513	ONCACBCGCDCENZONCACBCGCDOE1NE2CONCACBCGCD1CD2CONCACBCGCDOE1NE2CONCACONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1	ASN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLY AGLY AGLY AGLY ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ALEU ALEU ALEU ALEU ALEU A	279280280280280280280280280280281281281281281281281281281282282282282282282282282283283283283283283283283283284284284284285285285285285285285285285285285285286286286286286	48.72946.59646.83546.42047.45847.23048.47248.58346.21146.32345.61245.03643.57442.74841.36940.41541.29845.14145.09445.30445.42545.66747.04047.06448.10844.14843.06744.31243.26943.82244.71944.03242.87944.73442.23141.11742.57341.64841.01940.21641.30040.89341.45741.44242.33742.35941.50841.55840.64440.61439.34938.84638.66137.22136.82637.35237.128	22.49922.02922.00320.64019.55218.17417.24116.69523.18223.29424.09925.31625.04626.05625.39825.31924.83626.34726.00027.59928.69529.98730.01731.00530.34228.82028.62129.18429.08729.21228.01126.64426.49325.64530.12430.01531.14132.19332.13232.99431.08230.95329.61929.48430.21430.04929.15129.00728.40028.56730.86631.24230.31230.07928.83727.55426.381	-8.432-9.102-10.537-11.105-10.726-11.427-11.190-9.805-11.297-12.521-10.537-11.040-11.393-12.064-12.405-11.549-13.596-9.926-8.718-10.330-9.375-10.103-10.786-11.992-9.807-8.563-9.128-7.297-6.258-4.819-4.348-4.389-3.931-4.936-6.493-5.962-7.276-7.633-9.007-9.349-9.773-11.138-11.666-13.127-13.915-15.283-15.872-17.239-15.134-13.752-11.389-12.421-10.437-10.551-9.717-10.347-9.435	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	11.199.9510.9913.0516.9920.5621.8023.0311.1512.0011.2112.0914.0516.5424.5521.9129.0011.4812.4210.7812.6112.6713.4516.5617.0013.5514.2014.8117.3218.8920.1924.0025.4220.6017.9119.6618.4619.9119.6420.2717.9616.1017.6620.9528.2130.5029.8338.4930.0225.0514.9615.5412.1713.3714.3514.9617.55	ONCCCCCNCONCCCCONCONCCCCCCONCCCCONCONCCONCCCCCCOCCCONCCCC

原子	4517	CD2	LEU A	286	36.718	27.280	-11.683	1.00	20.64	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	452145224523452545274530453245334534453645384541454445454546454745484549455145534556455845624566456745684570457245754578458145834584458745904591459245934595459846014604460546064608461046124616462046214622462446264628463046344635	CONCACBOGCONCACBCGCDOE1OE2CONCACBCGCD1CD2CONCACBCGCDNECZNH1NH2CONCACBCGCDCONCACBCG1CG2CONCACBOG1CG2CO	LEU ALEU ASER ASER ASER ASER ASER ASER AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG APRO APRO APRO APRO APRO APRO APRO AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATHR ATHR ATHR ATHR ATHR ATHR ATHR A	286286287287287287287287288288288288288288288288288289289289289289289289289290290290290290290290290290290290291291291291291291291292292292292292292292293293293293293293293	36.38435.14736.97936.22136.81636.78936.14537.13334.96834.92535.42535.66135.77736.14535.52533.54232.57833.46332.20232.11732.08431.97331.01732.29733.23231.43431.63231.88332.41632.59433.02034.21735.20234.45430.31629.26630.35629.13929.54231.03231.53928.80729.62027.59327.11427.17928.61026.18225.66424.95425.22923.79523.54424.00622.03023.31623.884	31.25431.17632.33033.50834.29033.56734.41634.98634.55935.30534.35134.99233.94732.79434.31335.81135.23536.96037.45238.96739.56441.08039.00537.00537.36136.07935.21633.81032.89031.48630.58430.60931.42029.74435.17035.03235.26535.06835.62535.35035.53633.59232.75333.26131.90031.25931.36931.86231.86932.89430.67130.41229.84130.76929.71429.47828.384	-10.116-10.271-9.608-9.214-8.046-6.832-10.448-10.805-11.065-12.335-13.426-14.789-15.894-15.575-17.087-12.634-12.173-13.322-13.930-13.866-12.500-12.563-11.702-15.365-16.066-15.745-16.900-16.403-17.396-16.861-17.926-18.537-18.144-19.510-17.667-17.021-18.997-19.808-21.184-21.247-19.849-19.904-20.323-19.485-19.507-18.096-17.499-17.116-20.000-20.023-20.341-20.495-21.823-22.825-22.061-19.394-19.212	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	13.6116.4114.2013.3614.2913.9814.8813.7614.9716.0318.7725.9732.8633.5040.9115.7714.0816.7220.3220.0123.2325.4625.8421.0323.5522.4523.2924.2028.5633.2537.4338.3737.6638.4521.5020.1421.7620.3220.9421.2721.8119.4120.8919.2918.6218.2720.0819.9318.6820.5618.3017.4018.3021.8717.5015.5217.92	CONCCOCONCCCCOOCONCCCCCCONCCCCNCNNCONCCCCCONCCCCCONCCOCCO

原子	4636	N	ILE A	294	22.307	29.925	-18.649	1.00	13.98	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	4638464046424645464946534654465546574659466146654669467046714673467546784679468146 8346854687468946904691469346 9546974701470547064707470947114714471547164719472047214723472547284730473447384739474047424744474747504751475547564757	CACBCG1CD1CG2CONCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBCG1CG2CONCACBCGOD1ND2CONCACBCGCD1CD2CONCACBCGSDCECON	ILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASN AASN AASN AASN AASN AASN AASN AASN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AMET AMET AMET AMET AMET AMET AMET AMET APHE A	294294294294294294294295295295295295295295296296296296296296296296296296296297297297297297297297298298298298298298298298299299299299299299299299300300300300300300300300301	21.68921.14422.27723.46620.45020.50619.72220.44619.27119.68618.48820.23418.74919.39117.63217.05216.61617.04916.88717.30317.87418.05417.66915.88314.88216.02815.03815.71014.67816.56114.22114.76712.89812.00011.12010.33410.9209.01311.14310.56611.12410.35411.27412.51013.36612.1109.3119.6408.0366.9675.9216.3775.1763.7606.3366.2445.964	29.15230.07730.99730.17029.26428.39728.99427.10326.26625.16124.17425.77025.72824.85326.29125.93827.18427.21326.12326.19327.32928.42728.35025.00025.40923.75422.69821.38820.27721.61822.42322.10922.50822.19223.37123.13022.83623.25520.99820.96420.00818.77117.56517.49316.22017.45918.80118.96518.71218.69319.74421.11522.36621.86317.32316.65416.898	-17.602-16.549-15.970-15.366-15.438-18.242-18.971-18.033-18.368-19.332-19.677-20.588-17.064-16.442-16.594-15.328-14.587-13.136-12.312-10.972-10.509-11.352-12.631-15.568-16.161-15.135-15.409-15.869-16.159-17.056-14.171-13.113-14.287-13.192-12.834-11.555-10.502-11.636-13.546-14.614-12.649-12.794-12.616-13.523-13.224-14.961-11.701-10.530-12.075-11.076-11.399-11.041-11.502-10.493-11.024-12.037-9.820	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	13.9714.0714.2515.2414.1515.2615.7914.9414.2914.1616.2115.0114.9015.3814.2714.3615.0915.2615.8817.7718.0518.9618.8415.1614.9314.4014.7514.6216.0415.2317.0417.9616.2917.8817.8423.7122.8827.2218.6418.6918.5919.8419.1320.7721.3519.2721.2820.1323.0325.5725.7130.5143.3842.6226.1025.6928.52	CCCCCCONCCCCCONCCCCCCCCCONCCCCCONCCCONCONCCCCCCONCCCSCCON

原子	4759	CA	PHE A	301	5.331	15.607	-9.579	1.00	31.68	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	476147644765476747694771477347754776477747794781478447874788478947904791479247944796479948004801480248034804480648084811481448154816481948204821482348254828482948304831483248334835483748404843484648494853485448554857485948634864	CBCGCD1CE1CZCE2CD2CONCACBCGCDOE1OE2CONCACBCGOD1OD2CONCACBCGCDOE1NE2CONCACBCGOD1OD2CONCACBCGCDCENZCONCACBCO	PHE APHE APHE APHE APHE APHE APHE APHE APHE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AASP AASP AASP AASP AASP AASP AASP AASP AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AASP AASP AASP AASP AASP AASP AASP AASP ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AALA AALA AALA AALA AALA A	301301301301301301301301301302302302302302302302302302303303303303303303303303304304304304304304304304304305305305305305305305305306306306306306306306306306307307307307307	6.2327.7118.4549.78610.4109.7038.3353.9993.8962.9731.7510.639-0.744-1.783-2.635-1.7432.0551.4233.0493.5103.6334.6594.4765.6934.8665.9024.8766.1395.8786.9878.4019.3118.5896.9758.1626.3517.0546.1845.6116.3864.3987.4418.1117.0187.1335.9314.6423.6432.3641.1418.3918.3589.49510.76211.92010.68911.372	14.72114.85015.83115.97915.14414.15914.00815.91116.91115.08815.23914.28514.67713.57313.40312.87414.99815.58014.14113.68012.15111.66611.88311.05314.30513.85515.34515.99917.40617.97317.62217.48317.45715.25914.99714.96714.52014.80116.20517.16416.44813.04512.59512.30910.84210.23010.1579.1509.0788.62710.46210.30910.2899.9729.8888.6938.579	-8.677-8.968-8.348-8.603-9.522-10.145-9.865-8.877-8.186-9.049-8.219-8.667-8.135-8.313-7.394-9.368-6.739-5.847-6.527-5.231-5.285-6.324-7.550-5.987-4.869-5.326-4.053-3.728-3.212-2.279-2.719-1.874-4.039-2.689-2.894-1.557-0.3610.8710.8660.7020.987-0.3770.546-1.413-1.473-2.224-1.420-2.004-1.134-1.880-2.209-3.430-1.489-2.146-1.126-2.979-3.971	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	31.3827.8225.9927.6726.0624.7927.2635.2435.5939.8243.3743.8946.8451.2852.6153.0845.3545.8047.8950.0750.7452.1752.7656.2650.9752.0251.8152.5253.4455.7958.4058.1959.3852.1752.4451.5550.8050.9351.7853.0454.5349.8049.5948.7147.4847.9550.1651.8653.8753.9845.5545.5943.0441.3741.3339.6138.43	CCCCCCCCONCCCCOOCONCCCOOCONCCCCONCONCCCOOCONCCCCCNCONCCCO

原子	4865	N	GLU A 308	9.842	7.739	-2.597	1.00	37.98	N
										原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	48674869487248754876487748784879488048824884488748904891489248934894489548 974899490149044908491249134914491649194920492149224924492749304933493449354937493 9494349444945494749494951495449584962496349644966496849714974497549764979	CACBCGCDOE1OE2CONCACBCGCDOE1OE2CONCACBCG1CD1CG2CONCACONCACBCGCDCONCACBCONCACBCG1CD1CG2CONCACBCGCDOE1NE2C	GLU A 308GLU A 308GLU A 308GLU A 308GLU A 308GLU A 308GLU A 308GLU A 308GLU A 309GLU A 309GLU A 309GLU A 309GLU A 309GLU A 309GLU A 309GLU A 309GLU A 309ILE A 310ILE A 310ILE A 310ILE A 310ILE A 310ILE A 310ILE A 310ILE A 310GLY A 311GLY A 311GLY A 311GLY A 311PRO A 312PRO A 312PRO A 312PRO A 312PRO A 312PRO A 312PRO A 312ALA A 313ALA A 313ALA A 313ALA A 313ALA A 313ILE A 314ILE A 314ILE A 314ILE A 314ILE A 314ILE A 314ILE A 314ILE A 314GLN A 315GLN A 315GLN A 315GLN A 315GLN A 315GLN A 315GLN A 315GLN A 315	9.8579.0519.0148.0546.9128.4549.3509.7808.4508.0256.5805.6064.1683.6593.5688.9199.3359.2329.9669.80310.58910.7668.32311.43412.04512.00313.40713.78514.70613.13413.41812.40812.11412.16513.22813.93612.26911.96410.63813.09913.54913.58414.71414.89313.73713.63916.26415.96916.74016.22117.35517.49218.47219.93820.81420.18517.249	6.4245.3735.6236.7516.7747.6346.5185.7747.4547.7048.1767.0367.5087.8707.5318.7028.4619.82310.84312.23912.43613.89812.56710.46210.8639.6829.3238.6569.0947.5566.9545.7995.5166.7757.9317.8668.8359.79010.53510.79611.08111.29612.20812.81413.74714.21813.52911.51712.11610.2749.5618.1957.2247.6137.1978.3799.391	-3.242-2.450-0.948-0.564-1.0840.231-4.678-5.544-4.932-6.301-6.298-6.033-6.023-7.117-4.915-7.053-8.198-6.429-7.174-6.573-5.294-4.955-6.351-7.358-8.307-6.457-6.574-7.876-8.538-8.271-9.585-9.656-8.232-7.488-10.760-11.754-10.642-11.731-11.429-11.911-13.008-10.794-10.796-9.388-9.082-7.681-9.252-11.290-12.062-10.857-11.361-10.631-11.239-11.060-11.814-10.063-12.869	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	37.4437.8740.5743.9748.3147.0135.8133.7734.7335.0536.4340.8045.4349.3348.6833.0334.4830.0628.5728.4529.8930.3429.2226.6725.4324.4722.9322.5320.0921.6322.1422.5523.1023.4720.8020.4122.0321.2222.2120.8019.8619.5218.4617.8919.4318.9119.1816.7314.9814.5914.7114.8515.1415.0817.4812.3516.08	CCCCOOCONCCCCOOCONCCCCCCONCCONCCCCCONCCCONCCCCCCONCCCCONC

原子	4980	O	GLN A	315	18.207	9.573	-13.574	1.00	15.23	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	498149834985498849894990499149924993499549975001500250035005500750105011501350155016501850205022502350245026502850315034503550395040504150435045504850495051505350555057505850595061506350655068507250765077507850805082508450865090	NCACBCGOD1OD2CONCACBCONCACBCGCD1CE1CZOHCE2CD2CONCACBCGSDCECONCACBCGND1CE1NE2CD2CONCACBCG1CD1CG2CONCACBOG1CG2C	ASP AASP AASP AASP AASP AASP AASP AASP AALA AALA AALA AALA AALA ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AMET AMET AMET AMET AMET AMET AMET AMET AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AILE AILE AILE AILE AILE AILE AILE AILE ATHR ATHR ATHR ATHR ATHR ATHR A	316316316316316316316316317317317317317318318318318318318318318318318318318319319319319319319319319320320320320320320320320320320321321321321321321321321322322322322322322	16.06915.90114.48914.26513.08115.20216.14916.85915.58315.78414.97417.27917.83417.93919.35419.85421.35722.11923.52924.13825.49823.39322.01720.21021.09419.93920.72720.29620.58222.38822.91420.62721.61419.44419.26517.79817.64617.94317.78717.42617.34519.90020.61119.67820.25519.79818.33517.72620.62521.76322.39922.34723.76924.32825.73924.25224.313	9.0188.8658.3286.9106.4996.16410.17810.19611.27112.59313.63112.94013.40712.65312.95312.65212.60113.77313.72012.50712.34711.35511.41112.25312.83810.98010.2228.7638.0947.9446.86910.79110.84911.27411.90412.02412.36811.46112.05113.30913.53613.28113.54814.09415.45216.17016.57916.96617.42415.37116.02414.50514.44513.64513.91912.24014.023	-13.376-14.823-15.161-14.655-14.553-14.277-15.569-16.591-15.054-15.637-14.896-15.619-16.608-14.491-14.323-12.874-12.884-12.859-12.973-13.169-13.320-13.218-13.088-15.372-15.959-15.623-16.563-16.520-15.156-14.837-16.039-17.957-18.683-18.300-19.584-19.975-21.408-22.408-23.585-23.380-22.027-19.642-20.580-18.622-18.552-17.312-17.413-16.114-17.062-18.630-19.433-17.820-17.853-16.653-16.566-16.891-19.208	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	16.5318.4418.9926.6935.4831.0216.7417.7516.7915.8716.1115.8814.7615.8415.6016.3416.0519.0619.3921.4626.4221.4920.5715.9215.2214.0314.6715.2615.5519.6020.3415.1417.1214.8915.3116.2518.6522.0724.1719.9022.8414.1016.1414.9215.9516.2216.9719.2017.0717.5117.6617.0719.2417.3523.7821.0518.98	NCCCOOCONCCCONCCCCCCOCCCONCCCSCCONCCCNCNCCONCCCCCCONCCOCC

原子	5091	O	THR A	322	25.335	14.546	-19.632	1.00	21.80	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	509250945096509951015102510351055107510951135117511851195121512351265128513251365137513851405142514551485151515451585159516051625164516651695173517751785179518151835186518751895191519351955197519851995201520352065209521052115214	NCACBOGCONCACBCG1CG2CONCACBCGCD1CD2C0NCACBCGCDCENZCONCACBCG1CD1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBCGCDOE1NE2C	SER ASER ASER ASER ASER ASER AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AILE AILE AILE AILE AILE AILE AILE AILE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN A	323323323323323323324324324324324324324325325325325325325325325326326326326326326326326326327327327327327327327327328328328328328328328328328328328329329329329329329329329	23.62724.05323.33822.01723.92024.77122.87522.69821.26921.14920.29823.75924.32824.02324.98424.94423.63223.71523.19326.40427.19226.71528.08428.11529.36129.36030.52330.16028.56029.72627.62827.94926.65826.28924.92026.83628.54629.47028.08728.53227.33226.71325.52924.97425.62926.82727.37229.14229.10529.72930.37531.74432.79033.11232.34434.25129.505	13.14512.77611.51811.76413.90614.08914.68515.85016.40017.74215.39916.91417.45717.22818.27718.59919.09519.30520.36717.89118.76516.59016.07714.53913.81312.31711.49310.03916.47416.76116.48316.72916.43814.93514.57416.81618.15418.35719.10220.49921.35920.89220.18119.71019.93920.64021.09921.00322.17820.09620.41921.07120.08420.28519.86820.92621.278	-19.941-21.289-21.798-22.198-22.304-23.176-22.158-23.008-22.915-23.653-23.516-22.690-23.628-21.410-21.058-19.563-18.992-17.482-19.670-21.447-21.791-21.433-21.698-21.574-22.165-21.713-22.270-22.239-23.085-23.328-24.003-25.403-26.241-26.101-26.592-27.735-25.578-26.357-24.763-24.814-25.231-26.528-26.531-27.725-28.934-28.936-27.741-23.514-23.242-22.736-21.473-21.727-22.254-23.722-24.613-23.990-20.542	1.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.0O1.001.001.00	20.7121.6621.9026.8821.9122.7221.5022.5721.9721.0722.7622.9525.2823.6223.5223.5723.6025.8229.0325.7425.8326.7328.3028.4129.8331.8332.7135.6829.5630.1731.5632.4832.9733.1936.1534.7133.4733.3034.4334.6535.0934.9035.3835.2935.5235.1735.1535.1735.2135.2035.2035.7438.4743.3248.2615.7934.15	NCCOCONCCCCCONCCCCCC0NCCCCCNCONCCCCCCONCCCCCCCCCONCCCCONC

原子	5215	O	GLN A	329	30.026	22.097	-19.765	1.00	34.80	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	521652185221522252235225522752305233523452355238523952405242524452465249525352575258525952615263526652675268527152725273527552775280528352865289529352945295529752995301530553095310531153135315531853195321532353255327532953305331	NCACONCACBCGCDOE1NE2CONCACBCG1CD1CG2CONCACBCGOD1ND2CONCACBCGCDCENZCONCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2CON	GLY AGLY AGLY AGLY AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AILE AILE AILE AILE AILE AILE AILE AILE AASN AASN AASN AASN AASN AASN AASN AASN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AMET A	330330330330331331331331331331331331331332332332332332332332332333333333333333333333333334334334334334334334334334335335335335335335335336336336336336336336336336336336337	28.18527.28527.41327.75027.15027.27328.38729.77530.43931.29830.07126.00825.30825.71424.70324.03223.40523.02022.99325.39826.20125.06525.64625.60326.23627.45225.43824.94325.56123.62422.79622.31723.36224.23225.42226.30221.55721.03921.06619.76119.85818.48620.81319.11419.77017.84217.17217.71617.59416.40516.25917.32018.49718.62915.67915.23014.906	21.06921.68421.01319.83421.75221.24921.98121.84720.47620.09019.76521.47022.45720.54520.76319.44918.73317.35619.70921.41020.75622.65423.36624.87225.69925.66226.48423.05723.01622.91722.72124.03725.05524.64125.59225.30821.94222.08721.13520.49619.00718.42118.73520.67720.52421.04921.29122.56023.79024.52925.64626.06925.34624.19921.37921.57321.195	-20.601-19.655-18.322-18.225-17.275-15.936-15.192-15.815-15.610-16.410-14.547-15.167-15.389-14.261-13.242-12.806-13.984-13.696-11.727-12.051-11.351-11.766-10.636-10.896-9.769-9.553-9.099-9.310-8.268-9.354-8.170-7.574-7.191-5.987-5.917-4.757-8.556-9.682-7.612-7.717-8.042-8.391-9.166-6.370-5.333-6.339-5.085-4.407-5.247-5.238-6.026-6.834-6.858-6.063-5.317-6.453-4.256	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	31.9430.2228.2529.3225.7726.0827.0331.3435.2239.1535.4624.1822.1621.9722.1021.9821.7920.9522.5922.3823.0421.2922.4522.0224.9028.6424.1723.1024.2023.0723.3323.9926.7228.5628.9030.6223.2220.6122.6623.2922.7423.2322.8324.5625.4025.0026.1426.7427.7831.1931.7030.5928.9228.3527.5625.4929.67	NCCONCCCCONCONCCCCCCONCCCONCONCCCCCNCONCCCCCONCCCCCCCCCON

原子	5333	CA	MET A	337	13.459	21.383	-4.335	1.00	32.66	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	533553385341534253465347534853505352535553565358536053625364536653675368537053725375537653775378537953805382538453875390539353965400540154025404540754085409541154135416541754185419542154235426542854295430543254345437543854405442	CBCGSDCECONCACBCGCD1CE1CZCE2CD2CONCACBCGOD1OD2CONCACBCGCDCENZCONCACONCACBSGCONCACBOGCONCACBCGCD1CE1CZ	MET AMET AMET AMET AMET AMET APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLY AGLY AGLY AGLY ACYS ACYS ACYS ACYS ACYS ACYS ASER ASER ASER ASER ASER ASER APHE APHE APHE APHE APHE APHE APHE A	337337337337337337338338338338338338338338338338338339339339339339339339339340340340340340340340340340341341341341342342342342342342343343343343343343344344344344344344344	12.73413.08412.83611.16613.05213.63112.04211.19811.84211.86712.10312.16912.00211.77911.7279.7359.3968.8757.4466.7176.9876.7747.4367.2196.4817.9217.6406.1405.6504.3153.7582.2528.0707.8148.7179.32210.82011.41311.41212.86913.21814.98713.47913.12014.44615.04814.94313.59516.51317.23616.93718.34818.53218.22216.91916.63517.660	20.54919.04718.12818.05122.85223.56623.30424.40525.79326.32827.68528.23327.41926.06125.51624.38924.02524.79924.52525.65627.03127.19128.00723.15123.01222.14620.73720.48321.01020.39521.14921.07020.22619.06421.08320.65220.48421.17219.56819.41017.97017.61520.27220.13921.10822.02123.44523.82921.68321.49621.60421.44520.40618.99518.58417.25516.333	-3.269-3.286-4.846-4.853-4.159-3.346-4.911-4.416-4.586-5.978-6.160-7.429-8.536-8.371-7.101-4.861-5.995-3.929-4.006-4.743-4.113-2.891-4.757-4.643-5.619-4.108-4.386-4.136-2.751-2.274-1.034-0.896-5.784-6.127-6.581-7.826-7.624-6.801-8.373-8.389-8.647-8.550-9.494-10.644-9.147-10.131-9.644-9.516-10.332-9.365-11.582-11.960-13.050-12.641-12.396-12.054-11.969	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	32.3133.7236.5835.0235.7135.4239.3542.3143.5446.6850.9151.7251.4250.4649.7243.5344.4144.7145.2046.1748.6552.7153.0444.6345.5543.4442.2843.6046.0748.7450.7150.9339.4940.0835.4732.1328.7728.6524.1522.1121.1922.2720.8521.7019.3818.9618.6623.4618.5919.8216.5416.7215.9718.9320.2223.6322.57	CCSCCONCCCCCCCCCONCCCOOCONCCCCCNCONCCONCCSCONCCOCONCCCCCC

原子	5444	CE2	PHE A	344	18.963	16.726	-12.240	1.00	22.26	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	544654485449545054525454545754595463546754685469547154735476547754785479548154835485548954935494549554975499550255035505550755095511551355145515551755205521552255245526552955305531553255335534553655385541554455455546554755485549	CD2CONCACBCGCD1CD2CONCACBSGCONCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACONCACBCGOD1OD2CONCACBCGCDOE1OE2CON	PHE APHE APHE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ACYS ACYS ACYS ACYS ACYS ACYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLY AGLY AGLY AGLY AASP AASP AASP AASP AASP AASP AASP AASP AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU A	344344344345345345345345345345345346346346346346346347347347347347347347348348348348348348348348348348348349349349349357357357357357357357357358358358358358358358358358359	19.24118.84418.33619.84220.50520.96821.31121.73722.29921.65422.72021.44422.44021.85920.95123.08522.44124.38225.18226.11326.95125.28226.01626.77425.94926.76725.90325.04123.88123.09523.47524.63325.43127.75327.37029.01630.10831.05831.18728.43526.98426.63627.09526.53527.98926.44325.59526.95126.49327.24226.68427.40826.84028.54624.97624.32824.428	18.05822.78723.29523.36324.55525.44126.89027.52327.11924.14923.76324.18323.81622.96821.50525.05826.08524.94826.05126.60427.75727.01825.66124.64526.50126.33026.39325.19325.05923.94822.97623.08624.18427.50628.64227.21128.18628.03328.98128.75328.58027.59728.05929.05627.47428.02927.15228.53928.10528.86928.70429.58730.65429.22628.29627.53629.316	-12.565-12.474-13.498-11.794-12.326-11.184-11.430-10.085-12.502-13.226-12.735-14.538-15.504-16.629-16.021-16.113-16.316-16.341-16.827-15.694-16.253-14.508-18.012-18.027-19.038-20.255-21.510-21.718-21.010-21.194-22.078-22.757-22.549-20.315-20.062-20.636-20.617-19.431-18.615-30.609-30.721-31.823-33.165-33.671-33.794-29.436-29.447-28.329-27.031-25.936-24.533-23.552-23.193-23.164-26.889-26.160-27.559	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	19.3916.5816.1214.5716.2216.2818.8420.9421.8816.3816.3313.8315.0714.4617.1215.2015.4914.8215.2514.3516.1716.6316.0218.1317.3619.1918.9619.7020.4221.2021.5923.1323.0721.0520.0125.2927.4029.6331.8143.5942.8543.9346.1951.0050.9141.2841.7639.1038.1038.6539.6642.9646.0943.4236.1435.2634.29	CCONCCCCCCONCCSCONCCCCCONCCCCCCCCCONCCONCCCOOCONCCCCOOCON

原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子

55515553555655585562556655675568557055725574557655805581558255845586558955905592559455965598559956005602560456085609561056125614561756195623562756285629563156335636563956405641564256435644564656485651565256S3565456565658566256635664

CACBCGCD1CD2CONCACBOG1CG2CONCACBCGND1CE1NE2CD2CONCACBCONCACBCGCD1CD2CONCACBCGCD0E1OE2CONCACBSGCONCACBCON

LEU ALEU ALEU ALEU ALEU ALEU ALEU ATHR ATHR ATHR ATHR ATHR ATHR ATHR AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AALA AALA AALA AALA AALA ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ACYS ACYS ACYS ACYS ACYS ACYS AALA AALA AALA AALA AALA AMET A

35935935935935935935936036036036036036036036136136136136136136136136136136236236236236236336336336336336336336336436436436436436436436436436536536536536536S366366366366366367

23.01822.75323.46023.10523.05222.12121.10922.50121.77322.42622.43121.61421.75920.70822.93423.08324.57125.28724.72425.56926.66026.50522.32021.77022.29521.56621.75120.07519.44219.55118.14517.70517.66117.48016.56417.83216.85518.69618.48219.45619.11820.12321.30719.72418.62217.85019.57619.70120.95122.44418.45317.92617.97316.75416.41415.58514.86015.385

29.66731.08232.19733.53832.22028.69628.25328.36927.38727.21628.47926.31926.04525.40325.61624.37024.09523.79523.02022.92623.60724.17124.33923.30225.45425.55526.90825.29624.57125.89025.72526.75728.22829.12528.56024.33023.74423.75722.40422.03522.77022.56522.21522.77121.42620.47021.66420.81621.13920.57020.94819.93822.17522.38623.83221.59020.90521.672

-27.400-27.904-27.131-27.793-25.711-28.139-27.599-29.367-30.157-31.525-32.204-32.405-29.452-29.295-29.049-28.323-28.102-29.373-30.361-31.372-31.067-29.828-27.009-26.689-26.266-25.022-24.356-25.274-24.522-26.336-26.687-27.758-27.351-28.590-26.344-27.162-26.730-27.998-28.476-29.596-30.877-31.986-31.709-33.143-27.310-27.247-26.416-25.225-24.410-25.251-24.350-23.875-24.138-23.375-23.285-23.986-23.247-25.314

1.O01.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.00

32.3332.6931.2731.2229.8031.0629.3229.4729.6229.8632.8030.3828.4528.1326.3125.4526.5929.2431.3434.6732.8930.9323.7022.9620.9221.0721.2619.8619.4718.7518.2118.2216.9719.0016.6117.7117.8918.2618.3620.0522.6328.5832.2430.4317.6617.0117.3317.6118.1025.0316.6517.4615.6715.9315.7616.7115.6316.79

CCCCCCONCCOCCONCCCNCNCC0NCCC0NCCCCCCONCCCC00C0NCCSC0NCCCON

原子	5666	CA	MET A	367	14.279	20.935	-25.906	1.00	17.35	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	566856715674567556795680568156835685568856895690569156925693569556975699570257065710571157125714571657195720572257245726572857305731573257345736573957405741574257435744574657485751575257545756575857605762576357645766576857715772	CBCGSDCECONCACBCGOD1OD2CONCACBCG1CD1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBCGOD1OD2CONCACBCGCD1CE1CZCE2CD2CONCACBSGC	MET AMET AMET AMET AMET AMET AASP AASP AASP AASP AASP AASP AASP AASP AILE AILE AILE AILE AILE AILE AILE AILE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ACYS ACYS ACYS ACYS ACYS A	367367367367367367368368368368368368368368369369369369369369369369370370370370370370370370370370370371371371371371371371371372372372372372372372372372372372373373373373373	14.07712.81311.31511.08214.45113.47215.68815.93817.41217.76818.80117.11415.50314.72315.97715.62916.36917.88818.67915.85614.13413.54013.51412.07511.59410.1219.5468.1687.3877.9599.30111.33010.45011.67210.90311.28110.73611.3799.69911.08410.12312.30212.59414.07814.40314.60114.82614.81214.57114.34011.90111.20012.10511.64512.24914.00510.126	21.33820.71621.13522.77119.40218.66918.91017.47817.20015.75115.39314.89517.06116.14217.79617.55718.52918.26119.34118.36117.64316.79418.66718.83720.07120.25220.88921.00520.46419.81219.70617.60517.06317.17516.11815.99117.14617.47317.78914.80114.03114.55713.28813.11511.80210.7009.4499.31810.38011.63813.24012.26314.28814.27115.44215.24014.259	-27.374-28.034-27.192-27.644-25.778-25.499-25.923-25.804-26.072-26.050-26.670-25.450-24.379-24.212-23.374-21.978-21.027-21.087-20.390-19.644-21.766-21.118-22.328-22.168-22.909-22.828-21.765-21.682-22.668-23.731-23.822-22.708-22.036-23.900-24.545-26.014-26.863-27.890-26.553-23.818-23.643-23.345-22.703-22.500-21.902-22.707-22.122-20.757-19.957-20.529-21.351-21.007-20.565-19.182-18.369-18.116-19.123	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	17.4817.9721.8422.3917.3116.9517.6618.1618.4021.5028.6928.0917.0916.7716.0815.3015.0918.4219.7914.2915.3216.7715.6515.8916.1116.1715.7018.7521.0221.5820.0317.4317.5618.5120.5821.1223.8025.8926.7421.8221.2521.0121.5820.9322.8225.6525.3925.6025.2422.3321.6920.4921.5922.7522.9623.1123.53	CCSCCONCCCOOCONCCCCCCONCCCCCCCCCONCCCOOCONCCCCCCCCCONCCSC

原子	5773	O	CYS A	373	9.540	13.714	-18.188	1.OO	22.93	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	57745776577B578157835784578557875789579257955796579758005801580258045806580858125826581758185820582258255826582858305832583458355836583858405843584658495852585658575858586058625864586758715875587658775879588158845887588858895892	NCACB0GCONCACBCGCDOE1NE2CONCACBCG1CG2CONCACBCGND1CE1NE2CD2CONCACBCGCDCENZCONCACBCG1CD1CG2CONCACBCGCDOE1NE2C	SER ASER ASER ASER ASER ASER AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AVAL AVAL AVAL AVAL AVAL AVAL AVAL AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AILE AILE AILE AILE AILE AILE AILE AILE AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN A	374374374374374374375375375375375375375375375376376376376376376376377377377377377377377377377377378378378378378378378378378379379379379379379379379380380380380380380380380	9.4928.0347.5917.8517.4696.3208.2647.8078.3198.1726.7275.9476.3618.2708.0508.9539.43010.53110.79511.8058.2847.5128.2227.1577.3666.1584.8944.0164.6646.0047.0978.1315.9005.6526.2985.6834.3623.7844.7916.0375.6756.6996.9058.1329.36110.6858.2905.6545.3394.9603.7262.9681.5441.0561.5690.1223.942	14.82214.80415.64017.00613.37413.15912.41411.02910.44711.34811.61712.11011.31010.1348.92110.7169.97210.71310.03610.7679.73010.6398.4918.0656.6096.0176.1505.5785.0955.3648.9439.1949.43410.2139.5338.1888.3587.0086.20811.69112.46712.10413.52713.77713.21413.53315.25814.08913.75614.92915.51716.01016.43017.23518.33516.68116.661	-20.150-20.268-21.468-21.211-20.378-20.047-20.831-20.981-22.298-23.508-23.865-23.036-25.109-19.828-19.855-18.840-17.695-16.924-15.557-17.749-16.739-16.404-16.266-15.393-14.969-14.320-14.858-14.054-13.007-13.145-14.173-13.543-13.852-12.638-11.432-11.145-10.370-10.014-9.249-12.696-11.819-13.760-13.978-14.849-14.136-14.798-15.101-14.621-15.726-13.901-14.376-13.175-13.428-12.264-12.033-11.481-15.357	1.001.O01.O01.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.OO1.OO1.001.001.001.001.0O1.001.OO1.001.001.001.00	24.7226.5826.5927.3327.9329.1629.0530.4931.3435.5640.7444.3545.4230.6030.5129.8229.4229.0029.4129.8029.6128.1230.7931.3632.7136.5540.6842.5142.8140.7730.3330.4428.5627.9428.7533.4838.7242.7544.6525.7225.8624.4224.3623.8724.5825.9923.0524.9126.4224.5425.9226.9231.6537.1343.0940.454.67	NCCOCONCCCCONCONCCCCCONCCCNCNCC0NCCCCCNCONCCCCCCONCCCCONC

原子	5893	O	GLN A	380	3.265	16.739	-16.352	1.00	24.66	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	589458965898590059025906590759085910591259145918592259235924592659285931593359345935593759395941594459485952595359545956595959605961596359655967597159755976597759795981598559865987598959915994599659975998600060036004600560076009	NCACBOG1CG2CONCACBCG1CG2CONCACBOGCONCACBCG1CD1CG2CONCACONCACBCG1CG2CONCACBCONCACBOGCONCAONCACB	THR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL AVAL AVAL AVAL AVAL ASER ASER ASER ASER ASER ASER AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY AVAL AVAL AVAL AVAL AVAL AVAL AVAL AALA AALA AALA AALA AALA ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY AILE AILE AILE A	381381381381381381381382382382382382382382383383383383383383384384384384384384384384385385385385386386386386386386386387387387387387388388388388388388389389389389390390390	4.9015.1894.4383.0344.5526.6857.3287.1938.5569.33910.7969.2948.5087.6839.4069.4728.7677.51910.93211.64211.32912.74413.47913.27713.89514.97912.89712.32413.71914.05015.47616.37115.69317.00417.07718.44116.57417.31016.53218.38618.74318.29320.24720.97820.69922.10222.34821.91022.61821.97023.79924.36725.53426.00125.96927.11727.717	17.52718.71419.89619.59321.16919.05019.01419.41919.89419.05619.52617.62721.33621.72322.14523.53724.41023.89023.92023.57724.70325.04724.16722.71221.72424.52626.48826.94527.19528.58628.69828.08829.45229.67229.06529.13627.66931.17331.98131.56732.98733.58433.09032.20034.13634.24633.96332.68035.62336.65935.66736.95136.74735.61337.85037.84039.250	-15.060-15.866-15.301-15.342-16.206-15.858-14.836-17.017-17.145-18.138-18.246-17.747-17.614-18.438-17.089-17.447-16.448-16.061-17.443-16.508-18.427-18.577-19.584-19.256-20.180-19.612-18.942-19.939-18.163-18.436-18.899-18.270-19.991-20.609-22.026-22.561-22.028-20.642-21.174-19.952-19.833-18.559-19.980-19.563-20.65421.02822.50822.90520.64720.92320.03619.62118.65718.46218.07617.14717.038	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.000.501.001.001.001.001.001.001.001.001.00	23.7622.7223.6425.1524.4421.1119.0019.5918.3218.5317.5920.1817.8118.4916.8515.8916.0717.1215.7913.3314.2514.6815.0413.8914.7513.8615.4915.3712.9414.5815.4515.3314.2113.7113.1113.4611.8914.7813.8714.0515.8514.4517.5617.6719.3119.2020.0416.0020.8320.6920.1819.419.698.0920.189.370.56	NCCOCCONCCCCCONCCOCONCCCCCCONCCONCCCCCONCCCONCCOCONCCONCC

原子	6011	CG1	ILE A	390	28.302	39.627	-18.372	1.00	22.60	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	601460186022602360246026602860306034603860396040604260446047604860506052605460566058605960606062606460676068606960706072607560766077607960816083608660906094609560966098610061026106611061116112611461176118611961216123612661276129	CD1CG2CONCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBSGCONCACONCACBCG1CD1CG2CONCACBCG1CG2CONCACONCACBCGND1CE1	ILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ACYS ACYS ACYS ACYS ACYS ACYS AGLY AGLY AGLY AGLY AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AGLY AGLY AGLY AGLY AHIS AHIS AHIS AHIS AHIS AHIS A	390390390390391391391391391391391392392392392392392392392392392392393393393393393393394394394394395395395395395395395395396396396396396396396397397397397398398398398398398	28.70528.80326.65625.76927.31426.98626.29024.96127.20528.29529.34828.18229.31129.11130.14831.47732.47132.15930.83429.84529.38928.38330.60730.88131.39230.27731.98632.89031.86432.96932.61831.49033.63233.45534.76135.02236.42034.63433.02833.79631.81531.20329.81229.06529.98931.02830.60031.34231.22232.44833.20832.59033.68733.15234.06935.25735.867	41.05439.34237.39238.00636.34535.90434.57834.67033.45635.79735.62835.91735.64636.29035.82536.24435.78434.83534.36434.83734.15633.50633.62732.24831.54331.55232.28833.11031.44831.27430.41730.04830.08929.28728.52727.49426.80227.85330.21031.08630.03430.88831.30632.05632.19330.11928.95530.77030.16430.40231.35629.54929.56729.03829.26728.56629.009	-18.429-15.888-15.795-15.151-15.270-13.912-13.922-14.757-14.435-13.125-13.747-11.821-10.900-9.530-8.541-8.703-7.879-6.911-6.762-7.616-10.678-10.350-10.777-10.481-11.707-13.108-9.446-9.527-8.441-7.515-6.342-6.177-5.544-4.343-4.020-5.091-4.983-2.666-3.215-2.804-2.728-1.732-2.200-1.117-3.424-0.433-0.4450.6571.9812.8402.7083.8534.7836.1447.3027.4698.555	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	26.2520.6917.2919.1015.3614.1214.7814.7518.2011.9612.8611.2611.5913.4014.7716.1516.6116.6917.4416.9412.1812.3914.0214.1816.5323.3414.2014.9212.5011.2810.2610.129.308.208.079.3014.729.268.3011.518.8910.0711.9813.2614.929.529.689.9410.2210.7212.809.199.029.209.799.5512.95	CCCONCCCCCONCCCCCCCCCONCCSCONCCONCCCCCCONCCCCCONCCONCCCNC

原子	6131	NE2	HIS A	398	35.140	29.983	9.089	1.00	13.42	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	613361356136613761396141614361456149615061516153615561576161616561666167616961716174617761806182618361866189619061916193619561986199620162036205620762086209621162136216621962206221622262236224622662286231623262346236623762396241	CD2CONCACBOG1CG2CONCACBCG1CG2CONCACBCGCDNECZNH1NH2ONCACBCGND1CE1NE2CD2CONCACBCGCDOE1OE2CONCACBCGCD1CE1CZOHCE2CD2	HIS AHIS AHIS ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL AVAL AVAL AVAL AVAL AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR A	398398398399399399399399399399400400400400400400400401401401401401401401401401401401402402402402402402402402402402403403403403403403403403403404404404404404404404404404404	34.03234.80434.49636.06037.15238.28838.70239.51536.75637.05136.06135.75535.67336.92734.35834.48534.22333.68332.40531.36230.04030.00528.79428.64029.62227.47731.96731.55732.12331.87933.11134.41835.62136.61536.11834.74631.49531.66930.92330.50729.07028.80727.35426.41127.17730.62530.49130.90830.92431.47831.71832.69932.94332.18432.28931.24331.003	30.18028.64527.63528.92427.97628.34029.67127.48526.52425.63426.26624.88824.69525.23325.30524.33023.12225.22124.81324.64724.10822.64022.23022.29222.72821.96925.84926.92725.45726.30927.17126.43727.08126.21025.08225.20225.53424.30526.20425.51725.04623.96423.52324.17822.51626.43327.65025.85026.61925.79326.52627.49728.16227.80628.35126.84426.200	8.3014.2203.5584.5954.3665.3235.0185.0834.6513.8605.7686.1257.6668.3348.2205.5105.5674.9074.3335.4254.9254.6483.9172.6111.8062.0753.3053.6622.0500.8770.6250.5120.7480.5830.1130.055-0.321-0.365-1.332-2.522-2.415-1.357-1.284-1.845-0.614-3.735-3.575-4.894-6.145-7.221-8.464-8.544-9.798-10.873-12.154-10.787-9.593	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	10.748.598.0010.3611.3413.8018.3315.6210.639.519.799.1910.3212.1410.129.228.598.006.116.957.548.178.8010.3810.9110.527.627.916.727.677.297.5811.5811.308.979.398.1310.128.299.3511.2215.1420.2319.1419.019.519.4910.0511.5412.3411.5211.5815.8418.4823.4618.3319.33	CCONCCOCCONCCCCCONCCCCNCNNCONCCCNCNCCONCCCCOOCONCCCCCCOCC

原子	6243	C	TYR A	404	29.498	27.046	-6.496	1.OO	11.49	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	624462456247624962516253625762586259626162636265626662736274628162826283628562876289629262966300630163026304630763086309631163136316631963206321632463256326632863306333633663396342634663476348635063526354635863626363636463666368	ONCACBOG1CG2CONCACBCG1ACG1BCG2ACG2BCONCACBCG1CD1CG2C0NCACONCACBCGCDOE1NE2CONCACBCGCDCENZCONCACBCG1CG2CONCACB	TYR ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASN AASN AASN A	404405405405405405405405406406406406406406406406406407407407407407407407407408408408408409409409409409409409409409410410410410410410410410410411411411411411411411412412412	28.57229.32628.00527.75927.74626.38627.98328.95026.84426.66126.46327.46225.53325.01627.72425.50924.48425.70924.81125.44425.68526.62424.56824.66425.63023.46223.28521.82620.99521.51920.16120.12018.70018.00116.78418.75419.68118.51720.57320.18321.20621.34220.14520.17719.14119.88919.04520.58320.18821.18420.83322.57618.77417.99918.42317.12217.047	26.22728.32728.93829.69528.76530.28429.88530.47629.96230.90830.18529.04430.79629.75429.33331.81431.33133.11934.11734.76933.74634.29635.91035.21435.59635.75336.83036.98636.13438.14438.44939.85B40.44040.80641.10140.77037.42437.03536.92535.92535.82037.03237.22138.56038.53634.55533.80934.20033.01532.71731.43132.72033.14632.19434.29434.45735.660	-6.519-6.704-6.758-5.452-4.364-5.421-7.952-8.281-8.612-9.705-11.078-11.266-12.103-11.255-11.578-9.262-8.757-9.366-8.814-7.586-6.480-5.431-7.033-9.873-10.551-9.999-10.969-11.379-11.121-11.940-12.404-13.013-13.214-11.895-11.878-10.794-13.406-13.355-14.253-15.244-16.350-17.231-18.130-18.887-19.958-14.640-15.149-13.551-12.820-11.639-10.971-12.164-12.271-12.376-11.662-11.015-10.045	1.001.001.O01.O01.001.O01.O01.001.001.001.000.500.500.50O.501.001.OO1.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.OO1.001.OO1.001.001.OO1.001.001.001.00	13.6812.0013.2414.9218.8818.8913.2313.0614.4414.5315.6617.4214.4315.1915.4314.9416.7314.4215.7416.7421.8823.6120.8816.1915.3716.3716.6917.8116.3519.5521.2523.4630.5638.5143.7543.7618.9819.3817.6318.4917.7422.0723.5427.4723.8117.6117.9317.0415.9815.2715.4116.0716.3416.3117.2219.272O.01	ONCC0CCONCCCCCCCONCCCCCCONCCONCCCCONCONCCCCCNCONCCCCCONCC

原子	6371	CG	ASN A	412	15.663	35.913	-9.505	O.50	21.27	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	6372637363746375637663816382638363856387639063926396640064016402640464066410641164126414641664206421642264246426642964326435643764386441644464456446644B6450645364566457646164626463646564676470647364746478647964806482648464876490	CGOD1OD1ND2ND2CONCACBCGCD1CD2CONCACBCONCACBC0NCACBCGCDNECZNH1NH2C0NCACBCGSDCECONCACBCGSDCECONCACBCGSD	ASN AASN AASN AASN AASN AASN AASN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA AALA AALA AALA AALA AALA AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET A	412412412412412412412413413413413413413413413414414414414414415415415415415416416416416416416416416416416416417417417417417417417417418418418418418418418418419419119419419	18.35115.15418.99815.07518.70916.04914.96916.40815.47916.11915.26215.81813.82215.10913.92816.10415.85017.14914.99414.09215.24214.47415.08813.02812.14312.80811.47911.54312.03211.20911.68112.70713.43313.02710.7349.55011.41110.73411.67712.06213.66313.55310.2029.09710.98510.49211.60411.93213.42013.4479.2378.4509.0617.9168.2759.4489.342	35.89835.10034.93737.06237.14934.49133.94735.08035.18035.94736.78136.77636.44233.78933.50132.94631.61430.86130.83630.09531.03930.36330.59330.79129.97332.08432.65234.17134.67934.17334.59434.04933.05334.52632.27731.96632.26131.88031.96933.35933.48132.23830.43930.14829.50828.14227.16627.17126.18426.56327.99827.06628.89428.82829.38628.64026.808	-9.310-8.718-8.924-9.834-9.080-12.148-12.010-13.263-14.389-15.546-16.517-17.900-16.487-14.860-14.974-15.157-15.656-15.997-14.655-15.062-13.351-12.307-10.922-12.263-12.036-12.417-12.363-12.224-10.842-9.713-8.392-7.733-8.266-6.524-13.633-13.556-14.778-16.064-17.255-17.680-18.582-19.760-15.998-16.438-15.460-15.402-15.006-13.554-13.131-11.509-14.508-14.678-13.541-12.626-11.253-10.586-10.599	0.500.500.500.500.501.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.OO1.001.OO1.001.001.001.001.001.OO1.001.001.001.001.001.OO1.001.001.001.001.OO1.001.OO1.001.001.001.001.001.OO1.001.001.001.001.001.00	19.3421.7417.2226.6820.6619.6920.4219.6019.2520.1723.5321.9221.8218.9918.1917.8017.2618.2617.6916.9517.4218.7518.7019.1321.4219.3920.3120.7125.8231.6036.9442.8043.9842.7619.7220.2719.6220.4019.9323.6727.5828.3921.0420.4521.6122.4722.7922.9424.2126.2123.3424.0424.3325.4926.2628.6533.87	COONNC0NCCCCCCONCCCONCCCONCCCCNCNNCONCCCSCCONCCCSCCONCCCS

原子	6491	CE	MET A	419	7.730	26.534	-9.765	1.00	35.59	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	649564966497649965016504650565076509651065126514651665176518652065226525652665286530653165336535653765386539654065426545654865516552655365556558655965606562656465666569657365776578657965816583658565896593659465956597659966016603	CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCDCONCACONCACBCG1CD1CG2CONCACBCG1CG2CONCACBOG1CG2	MET AMET ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APRO APRO APRO APRO APRO APRO APRO AGLY AGLY AGLY AGLY AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATHR ATHR ATHR ATHR ATHR A	419419420420420420420420420420420420420420421421421421421421421421421421421421422422422422422422422423423423423424424424424424424424424425425425425425425425426426426426426	6.7135.5916.9515.8656.2776.2477.2527.2496.2316.2305.2115.2295.4044.3376.2125.8206.6636.5387.3077.2276.3476.3115.5655.6445.9886.8505.1455.2514.2213.2364.0314.9224.1415.4915.1915.7845.4396.6647.3066.5856.6046.2315.1508.7779.2149.49510.88911.75613.18511.82610.82310.30911.26411.31810.60911.0589.103	29.59629.15230.72031.55433.00933.67333.43634.05934.92835.54735.16834.55131.14531.55230.36029.84130.45631.91132.76234.12534.68736.05733.85832.48228.34227.77727.66626.21925.90527.01528.23425.45925.93724.26923.34923.62222.93124.62324.94926.12327.39528.66625.73225.30225.43225.44525.91325.20525.81823.72227.41627.80028.25229.71230.48430.06030.208	-13.175-13.023-13.827-14.329-14.354-13.009-12.075-10.842-10.528-9.304-11.426-12.667-15.718-16.151-16.425-17.721-18.803-18.956-18.199-18.327-19.262-19.389-20.024-19.868-17.697-18.378-16.906-16.748-15.655-15.767-16.119-18.019-18.851-18.144-19.198-20.565-21.533-20.666-21.928-22.659-21.829-22.590-23.030-21.712-20.567-22.809-22.788-23.831-23.897-23.583-23.091-24.161-22.156-22.375-21.296-20.000-21.302	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	25.2325.7624.5323.9424.9429.0033.3835.9036.9541.1636.1133.4822.3121.1820.1719.9620.7119.8819.9623.1023.8422.1020.9021.6718.5819.3118.0518.2318.5818.2717.6017.6718.0117.5517.3017.1117.8416.8416.2916.4517.8118.1319.4214.3814.2514.2014.5013.9516.4014.4514.6015.5015.0515.0716.3818.2119.31	CONCCCCCCOCCCONCCCCCCOCCCONCCCCCONCCONCCCCCCONCCCCCONCCOC

原子	6607	C	THR A	426	12.751	30.210	-22.447	1.00	16.14	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	660866096611661366166617661866196621662366266627662866296630663166336635663866406641664266446646664866526656665766586660666266646666667066716672667466766679668066826684668566876689669166926693669566976700670167026705670667076709	ONCACBSGCONCACBCGOD1OD2CONCACBOGCONCACBCG1CG2CONCACBOG1CG2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGOD1ND2CONCA	THR ACYS ACYS ACYS ACYS ACYS ACYS AASP AASP AASP AASP AASP AASP AASP AASP ASER ASER ASER ASER ASER ASER AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AASN AASN AASN AASN AASN AASN AASN AASN AGLY AGLY A	426427427427427427427428428428428428428428428429429429429429429430430430430430430430431431431431431431431432432432432432432432432432432432432433433433433433433433433434434	13.69412.93914.25615.07814.62114.13913.09315.21815.26216.20717.64317.94718.56015.67615.95715.72616.08615.83614.44817.49417.73218.44919.82320.73622.11420.79919.91220.56619.26019.34018.70019.39618.82418.66019.17517.48216.68515.42514.63113.91213.15913.10812.34713.80814.57717.48117.71417.94318.67318.80017.49016.96816.93920.01720.38220.74122.074	29.58631.30031.93431.41832.12033.45834.02934.10835.56536.09735.71535.07236.05836.14235.41437.45738.14339.65639.95237.93037.83137.88837.60437.56237.10138.91636.30436.19835.28233.97132.92132.89631.56033.92733.36534.53134.53735.33335.65234.64334.92236.21536.46437.23636.94135.16734.56436.37237.16438.60539.35139.89039.37036.57936.54036.10635.583	-21.876-23.168-23.209-24.347-25.972-23.191-23.556-22.764-22.746-21.613-21.816-22.816-20.998-24.123-25.050-24.227-25.481-25.359-25.342-25.957-27.146-25.022-25.380-24.142-24.533-23.515-26.111-27.131-25.570-26.157-25.204-23.926-25.808-27.511-28.457-27.586-28.827-28.585-29.838-30.501-31.627-32.103-33.225-31.472-30.335-29.961-30.999-29.699-30.690-30.191-30.301-29.326-31.508-31.058-32.225-30.054-30.241	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	15.0815.5614.7814.1016.7615.7015.6215.3116.2016.6419.3117.2821.3615.8515.0618.5020.1120.8227.2919.9220.4119.4619.3419.9718.1620.5018.7618.6618.3417.8618.0317.6718.6119.0018.5520.5121.6520.6820.4023.8325.5428.0531.6923.7224.1523.0022.5526.9128.5828.8228.9730.4232.4830.4331.6831.7433.31	ONCCSCONCCCOOCONCCOCONCCCCCONCCOCCONCCCCCCOCCCONCCCONCONC

原子	6712	C	GLY A	434	22.053	34.285	-31.002	1.00	34.76	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	671367146716671867216723672467256727672967326733673467376738673967416743674667486752675667576758675967616764676767706771677267746776678067816782678467866789679067926794679567976799680168026803680568076810681168136815681768196821	ONCACBOGCONCACBCGOD1ND2CONCACBCGCD1CD2CONCACBCGCDCONCACBCONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1CE1CZCE2CD2C	GLY ASER ASER ASER ASER ASER ASER AASN AASN AASN AASN AASN AASN AASN AASN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU APRO APRO APRO APRO APRO APRO APRO AALA AALA AALA AALA AALA ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE A	434435435435435435435436436436436436436436436437437437437437437437437438438438438438438438439439439439439440440440440440440440440440440440440441441441441441441441441441441	22.94621.01720.90319.59118.44720.96421.39520.49120.29121.63821.90121.72122.31919.51919.54518.84417.90817.38618.26017.79918.26616.75016.50816.02214.93114.37515.41016.10113.87013.64013.23012.36511.96011.13110.59110.6999.4888.9459.92710.12511.02111.72412.63011.55110.6449.7058.79010.93511.22512.74913.35513.04113.60714.54214.88814.29810.772	34.04733.46532.15631.44131.98532.22331.27133.32933.47233.73735.22436.04035.57932.30232.14231.48830.46829.59128.42127.85727.32631.20932.37030.55431.22530.12229.05129.11431.66730.91832.81233.36534.78132.51032.54631.72130.88830.50029.77528.41327.77128.49327.88329.83130.46929.61428.84729.41928.40428.18227.29527.45526.62625.67525.53426.33428.901	-31.803-30.794-31.451-31.027-31.687-32.985-33.628-33.551-35.006-35.713-35.923-35.015-37.128-35.655-36.878-34.826-35.309-34.170-33.737-32.403-34.803-35.944-35.608-36.848-37.568-38.479-38.494-37.169-36.565-35.605-36.773-35.751-36.095-35.488-34.389-36.482-36.356-37.732-38.636-38.539-39.363-40.296-41.120-40.407-39.594-35.502-35.259-35.044-34.014-33.911-34.991-36.332-37.288-36.927-35.603-34.648-32.648	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	36.2335.5836.4236.2934.7637.3638.0639.1941.0241.7243.3547.5147.7841.2441.7840.9340.4240.2342.2742.0144.3938.5638.5637.1635.5135.9936.9036.9934.1534.1031.8030.2730.4428.0626.5125.6423.2023.9823.5823.7027.2226.5729.7827.4926.6321.5421.7519.2119.1519.4223.7527.9830.2129.9228.6628.0817.95	ONCCOCONCCCONCONCCCCCCONCCCCCONCCCONCCCCCCOCCCONCCCCCCCCC

原子	6822	O	PHE A	441	10.835	28.152	-31.661	1.00	18.49	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	682368256827683068316833683568376839684168426843684568476850685368566859686368646865686768696872687568766877687868796880688268846887688968936897689868996900690269056908691169126913691569176920692369266929693369346935693769396942	NCACBCGCD1CE1CZCE2CD2CONCACBCGCDCENZCONCACBCGCDOE1OE2CONCACBCGCD1CD2CONCACBCGCDCONCACBCGCDCENZCONCACBCG	PHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU APRO APRO APRO APRO APRO APRO APRO ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS A	442442442442442442442442442442442443443443443443443443443443444444444444444444444444444445445445445445445445445446446446446446446446447447447447447447447447447448448448448	10.37610.03610.98112.42313.16014.47715.09314.37113.0478.6308.0248.1326.9405.7624.5313.4402.3611.1637.1927.6256.9316.9936.9507.1727.0747.5266.5475.8604.6836.2185.3036.0426.4107.4115.1724.7135.3273.5303.0511.6961.3012.5924.0174.6624.1625.0395.2175.8526.2257.3588.2744.3883.2345.1094.5994.5363.492	30.16330.74231.89131.52031.48331.10630.78730.82931.19331.32131.52731.59132.40331.58032.45931.74532.74632.02733.48233.21334.71335.86237.15438.37139.67240.69539.63035.76535.53835.89935.59334.76733.34332.71532.46436.84937.91436.75437.86237.36636.27835.62538.16137.22639.43439.88041.39441.94243.42843.58844.72439.55939.88938.89938.62237.11836.358	-32.525-31.253-30.882-30.875-32.034-32.012-30.826-29.647-29.673-31.269-32.343-30.080-29.903-29.462-29.217-28.577-28.151-27.772-28.887-27.773-29.294-28.395-29.187-28.321-29.089-28.517-30.256-27.346-27.683-26.058-24.983-23.891-24.284-23.344-24.318-24.358-24.406-23.739-22.911-22.397-23.292-23.731-21.741-21.231-21.403-20.319-20.394-21.654-21.462-20.435-20.761-18.972-18.768-18.073-16.726-16.442-17.276	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	16.2017.9418.2118.0316.8020.8020.2217.8617.0419.3119.7419.6021.0221.4323.8123.0823.0017.4921.0618.8921.5520.8921.3922.7527.0923.3823.6820.2120.2717.1816.5216.0118.5018.7321.1615.8715.4617.4519.5420.1919.9017.2321.9522.0624.4528.2228.8733.3937.7741.0942.8029.3429.8031.5832.9133.5733.11	NCCCCCCCCCONCCCCCNCONCCCCOOCONCCCCCCONCCCCCONCCCCCNCONCCC

原子	6945	CD	LYS A	448	3.437	34.865	-16.984	1.00	33.35	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	694869516955695669576959696169636967697169726973697569776980698369846988698969906992699469977000700370067010701170127014701770187019702170237025702970337034703570377039704370447045704770497052705370547055705670577059706170647066	CENZONCACBCG1CG2CONCACBCGSDCECONCACBCGCDCENZCONCACONCACBCG1CG2CONCACBCONCACBCGOD1OD2CONCACBOGC	LYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL AMET AMET AMET AMET AMET AMET AMET AMET ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLY AGLY AGLY AGLY AVAL AVAL AVAL AVAL AVAL AVAL AVAL AALA AALA AALA AALA AALA AASP AASP AASP AASP AASP AASP AASP AASP ASER ASER ASER ASER ASER A	448448448448449449449449449449449450450450450450450450450451451451451451451451451451452452452452453453453453453453453454454454454454455455455455455455455455456456456456456	2.3242.2555.4896.7074.8615.6064.7835.5254.4775.9945.1297.2987.8398.7468.0999.15110.2338.6239.5558.2188.7987.9936.6046.0826.1535.66210.25110.55111.14012.56913.32914.54612.62113.24413.22911.85913.78612.59311.36813.43812.98413.62113.37214.55512.36612.53813.27513.28612.18114.34113.24114.37112.54013.06612.06610.89713.405	34.20232.69639.34039.41239.90340.47041.51641.98542.69239.27638.55539.03837.94437.06236.63035.59636.80838.55939.32538.24938.90338.57739.26439.47638.20436.97838.47137.28839.45039.20939.68239.84639.87640.34439.24338.68439.77841.65241.78442.62043.92345.03744.04843.96344.23544.37945.67845.95146.13945.96243.18743.30042.05440.83139.69139.90440.988	-17.780-17.705-15.708-15.877-14.678-13.559-12.794-11.528-13.711-12.681-12.171-12.585-11.782-12.632-13.933-14.930-15.611-10.643-10.870-9.419-8.249-6.981-6.928-5.482-4.621-5.326-8.127-8.219-7.987-7.902-9.121-9.062-10.232-11.476-12.598-12.807-13.915-11.953-11.979-12.291-12.757-11.949-14.218-14.555-15.069-16.512-16.855-18.345-18.919-19.025-17.151-17.628-17.188-17.788-17.604-18.375-19.281	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	34.7635.4034.5033.4536.1338.0537.9439.6838.9038.7439.1639.8740.6039.9037.2530.4229.6042.4942.0145.3647.1347.9749.9252.2753.7954.6547.6947.4648.7349.9350.8850.8752.1953.4053.8054.5454.7153.5353.5253.9754.3854.5154.2354.6553.7853.2054.0456.2059.5859.1751.2751.6148.8546.4546.6047.2743.97	CNCONCCCCCONCCCSCCONCCCCCNCONCCONCCCCCONCCCONCCCOOCONCCOC

原子	7067	O	SER A	456	14.272	40.290	-19.790	1.00	43.89	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	706870707073707470757076707870817084708770887089709170937096709871027106710771087110711271157116711871207121712371257127712871297131713371367139714071417144714571467148715071537154715671587159716171637165716671677169717171747175	NCACONCACBCGCDCONCACBCGCD1CD2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCDOE1NE2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1	GLY AGLY AGLY AGLY APRO APRO APRO APRO APRO APRO APRO ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATRP ATRP ATRP ATRP ATRP A	457457457457458458458458458458458459459459459459459459459460460460460460460460460460460460460461461461461461461461461461462462462462462462462462462462462462463463463463463	12.73112.88711.92411.24911.80810.95011.23011.90612.47711.35812.55510.38410.63210.16410.71210.04112.2239.9548.98110.49510.13411.22011.44412.31512.49111.79511.95210.97010.7679.93310.6069.0339.0037.5637.4806.0515.8225.1369.8489.77510.69411.33312.68113.41613.69914.36614.76015.41314.47313.81310.37210.1189.7668.7547.9186.6816.587	41.91842.11941.18640.38441.28940.36540.70142.05242.26938.92638.63638.07536.65736.17836.90636.31036.78935.84336.27034.66533.81233.86035.22536.14137.42937.79539.05036.89435.62932.38531.89531.68830.24429.72328.22527.69026.46528.56429.70530.17528.71727.94927.36526.61827.19526.47825.18724.43924.60125.32026.83825.88527.01726.11026.88026.20425.285	-19.965-21.407-22.118-21.437-23.444-24.206-25.664-25.652-24.311-23.928-23.963-23.615-23.448-22.095-20.873-19.654-20.847-24.553-25.163-24.774-25.886-26.929-27.494-26.884-27.388-28.539-29.079-29.169-28.647-25.425-24.520-26.080-26.054-26.196-26.265-26.318-26.260-26.471-27.165-28.326-26.857-27.861-27.412-28.500-29.733-30.726-30.495-31.446-29.293-28.311-28.257-27.528-29.423-29.903-30.969-31.420-32.395	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	40.7537.5834.4333.9330.8128.0229.1430.3931.4624.6822.8121.2319.6319.7121.0323.6320.5717.9417.9216.5615.9416.0717.9316.6422.4020.3223.5218.2118.7116.6515.5914.6615.3414.4815.2517.8722.5818.5616.2516.2415.3816.8116.9518.4620.3122.2119.7723.2319.3419.4717.0116.5217.5518.2118.4917.4318.13	NCCONCCCCCONCCCCCCONCCCCCCOCCCONCCCCONCONCCCCCCOCCCONCCCC

原子	7177	NE1	TRP A	463	5.270	24.927	-32.577	1.00	21.92	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	717971807181718371857187718971907191719371967197719872007202720572087211721372147217722072217222722472267228723072347235723672387240724372467247724872497250725172537255725872617264726772717272727372747277728072837286728972927295	CE2CD2CE3CZ3CH2CZ2CONCACONCACBCGCDNECZNH1NH2CONCACBOG1CG2CONCACBCGCDOE1OE2CONCACBCGCDCENZCOOXTOOOOOOOO	TRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP AGLY AGLY AGLY AGLY AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ATHR ATHR ATHR ATHR ATHR ATHR ATHR AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	46346346346346346346346346446446446446546546546546546546546546546546546646646646646646646646746746746746746746746746746846846846846846846846846846823456789	4.4935.3524.8013.4042.5953.1129.3558.77110.51411.17511.16610.64611.73012.07213.08714.27215.30416.03617.02617.40217.65010.84710.8809.7738.6278.6558.5139.9977.2987.2496.2314.8544.6545.0315.6016.7764.8864.4715.1073.4692.8922.3050.8420.5410.9472.3753.8533.4165.06732.24535.17229.96738.07430.51729.46326.7279.524	25.60526.43227.25427.22226.38425.56924.87223.79125.02123.91424.07625.04723.07823.16222.07021.99620.99421.44320.75619.57721.24523.01623.39622.46022.05420.52319.83920.05322.38522.89122.03822.09321.34819.86919.35619.65518.63923.54824.29823.95125.31225.69125.23224.60423.13522.96226.37727.31926.35917.58543.61620.28823.13821.06821.5038.21827.891	-31.680-30.938-29.964-29.753-30.503-31.473-30.493-30.416-31.113-31.749-33.245-33.792-33.905-35.323-35.681-34.715-35.131-36.311-36.875-36.374-37.945-36.204-37.380-35.645-36.459-36.698-35.441-37.269-35.805-34.688-36.527-36.048-34.716-34.752-33.442-33.134-32.711-35.945-35.222-36.735-36.726-35.341-35.147-33.776-33.686-33.303-37.230-37.891-37.04810.164-1.4369.692-0.13412.413-3.265-7.918-18.885	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	15.7215.7916.8318.7618.7719.6720.6320.3623.3226.5130.0129.6334.5838.2839.0743.3048.1552.2256.8057.2058.3340.1740.6541.9543.6843.7843.4544.2645.1743.9347.7249.6049.9250.8553.1254.4054.7951.0051.7052.5253.2453.4152.5353.3152.8454.4753.8656.0553.4110.0612.8810.3610.069.1119.8018.8416.17	CCCCCCCONCCONCCCCNCNNCONCCOCCONCCCCOOCONCCCCCNCOOOOOOOOOO

原子	7298	O	HOH W	10	28.434	21.518	7.583	1.00	11.34	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	73017304730773107313731673197322732573287331733473377340734373467349735273557358736173647367737073737376737973 8273857388739173947397740074037406740974127415741874217424742774307433743674397442744574487451745474577460746374667469	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	111214151617181921222324252628303132333435373839404142434445464748495051525354555658596162636465666768697071727374	23.61338.1627.56626.37336.43035.50843.32526.83833.13918.79331.2718.37228.22924.45737.13531.48734.33538.21133.41425.05534.62632.55822.42817.63046.98736.27126.26810.71632.26036.15442.48532.36540.04834.28138.55531.59754.00936.32816.41041.86118.69537.33333.88336.96114.2874.30941.77923.92017.07539.12414.55835.30026.37424.59723.52038.92340.378	16.14625.06121.95916.38330.80515.88040.74217.24027.57920.15522.98424.92721.75628.31744.53418.56130.07724.34324.05337.79619.32220.35329.50139.39029.76325.30611.54643.98423.37440.60933.85812.68610.8404.42136.60427.15614.99931.73211.27546.7148.68129.6865.09012.7296.88620.54512.8714.7623.59027.99639.24840.23418.67417.52038.6949.06135.629	9.08212.184-14.36714.439-6.33717.925-10.536-6.304-23.204-0.860-4.720-25.56013.561-7.5980.39212.750-12.504-2.91116.89017.26724.12722.311-7.21222.325-6.23921.81029.050-19.38024.077-12.156-14.44916.60117.457-3.032-0.97227.4942.6605.61313.057-11.447-21.586-20.8962.08510.629-18.814-20.94314.592-11.844-0.7199.300-22.13211.27615.634-4.52318.9776.492-6.978	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	22.2815.3922.8621.2214.5819.1815.9218.7738.7311.879.1113.8811.4337.7111.8810.1621.4017.3818.8132.6216.7214.7029.7926.7223.3521.5631.8344.1023.6316.9230.9026.5126.7822.4019.4754.3624.6414.4720.7017.8135.8748.3334.1621.7836.3329.1747.8836.9134.1037.9720.9734.3326.9319.6743.7936.2414.39	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	7472	O	HOH W	76	37.936	47.143	-7.524	1.00	14.67	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	747574787481748474877490749374967499750275057508751175147517752075237526752975327535753875417544754775507553755675597562756575687571757475777580758375867589759275957598760176047607761076137616761976227625762876317634763776407643	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	777879818283858687888990919293949596979899100101102103104105106107108109110111112113114115116117118119120121122123124125126127128129130131132133134135	26.53335.98448.87731.39633.69242.14545.19628.06410.67129.59830.77936.81730.16314.41138.47829.89519.7116.01125.62340.64535.84941.52838.72027.54813.39728.36938.69121.40426.58313.63736.98246.89737.58323.15936.90615.7828.19238.70128.5218.85543.1582.17621.45822.79230.01125.97034.35022.49340.67236.01821.61626.14925.91333.67117.41528.16038.540	11.72329.84532.29623.43014.95124.92727.9439.00535.13924.8008.59519.08819.6422.95637.54717.0313.05826.80739.84337.79638.27124.24029.54141.69017.45919.12027.08834.79315.8409.57134.41319.53212.28838.05418.6244.94119.81429.24939.98214.24236.28520.80131.78017.51343.99411.73021.16040.4074.0441.1469.26134.8138.22136.71634.62924.89334.791	23.8180.854-6.52115.262-9.985-15.674-13.218-1.52533.335-18.1113.6385.50923.688-6.287-3.70422.2804.8856.820-13.327-4.877-13.828-3.172-7.201-14.27823.16214.380-2.156-8.219-12.88319.527-0.498-0.22216.550-14.65626.232-11.274-27.566-3.487-11.40913.256-15.215-19.35729.23011.419-18.4138.343-14.162-15.83414.4721.39723.897-22.7158.9168.720-33.814-27.145-5.316	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	28.6921.4924.5616.0324.1331.2319.1726.2541.6924.6724.7515.1930.9639.3016.5616.5541.7324.9438.5514.3418.6828.5618.7756.9624.1318.5519.0124.5525.5430.8826.8924.4425.6422.4321.5034.0730.5142.2354.2035.4841.9137.2336.1618.1556.4725.4623.4333.8346.9946.8323.9250.6843.1625.5943.5352.5632.04	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子

76467649765276557658766176647667767076737676767976827685768876917694769777007703770677097712771577187721772477277730773377367739774277457748775177547757776077637766776977727775777B7781778477877790779377967799780278057808781178147817

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HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W

13613713813914014114214314414614815015115215315415615715815916016116216316416516616716816917017117217317417517617717817918018118218318418S186187188189190191192194195196197198

4.38857.88519.05248.4267.9125.33218.28711.39729.35624.68931.43519.14633.3511.37229.3954.00736.52623.61744.73243.22532.39319.77618.85911.09714.53840.45616.64923.85027.14428.41415.38030.97630.03035.17319.19626.85434.71043.3928.58920.39029.68423.00942.08712.77315.89517.14613.6415.86242.84832.75639.5104.30924.05033.72524.08740.12432.89010.526

22.49810.81045.56132.65221.60426.7707.08430.69130.8894.35321.48138.4809.15723.0219.18124.88821.43410.10342.70544.70110.7664.89510.18317.16714.05324.23119.52613.37917.84530.62321.68330.29234.21831.14340.1135.55544.25450.34521.88212.2026.51220.7578.06620.77720.4788.02823.52618.69849.03810.40214.12130.92610.64034.31219.14122.53132.29316.512

8.75423.5953.596-2.3429.49331.4978.373-9.259-27.909-14.229-7.3162.6146.798-18.360-4.53229.8196.29622.003-11.874-12.29915.045-13.43712.4464.708-26.24410.530-29.5189.35911.93120.184-31.10221.05013.532-14.5749.42713.363-12.722-10.197-32.65017.913-5.108-5.26720.081-32.000-1.485-18.26124.91519.522-12.53112.33822.86123.2636.5049.910-6.8703.81215.48320.740

1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.0O1.001.001.001.001.0O1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00

31.5836.4949.0026.3429.9318.4766.4244.4038.1246.9924.6328.2924.6840.4215.0818.7520.3320.1418.0422.1128.7223.8421.2624.0427.5927.1628.0926.9224.3327.6726.1724.3420.2726.6230.8426.2326.9919.9130.6623.7928.9230.8028.6825.5728.2630.8832.8427.0226.3623.4927.9436.2128.8031.2729.0028.9229.7529.33

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原子	7820	O	HOH W	199	40.690	35.473	0.288	1.00	30.94	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	782378267829783278357838784178447847785078537856785978627865786878717874787778807883788678897892789578987901790479077910791379167919792279257928793179347937794079437946794979527955795879617964796779707973797679797982798579887991	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	200201202203205206207208209210211212213214215217218219220221222223224225226227228229231232233234235236237238239240241242243244245246247248250251252253254255256257258259260	19.42440.71239.28519.63533.10111.73621.8712.77428.40338.97524.92337.02232.30742.9302.65127.70038.70841.86636.46620.78128.27328.39831.03638.93614.00413.15012.96117.83742.5157.63626.63221.68734.45024.91837.71236.1766.12127.1583.47316.50626.15414.97822.58114.34252.5619.33314.77641.41717.53811.36934.235-0.2917.40935.73138.4026.87824.775	25.25225.8589.97541.31814.65324.4636.48229.0599.21924.33218.85737.04822.07636.44626.0346.43722.58732.18231.43141.13715.84919.00636.50912.90637.55035.78932.6303.56420.28814.0850.64538.23825.09122.20912.99333.49818.70232.92033.23912.02416.21322.9438.6309.89535.59231.9833.05639.8355.5779.52533.14627.30925.11611.01827.60115.92520.673	31.8258.5198.957-16.20818.35921.15924.24925.0781.5492.44212.5488.618-17.769-3.004-12.176-1.9545.886-3.964-3.365-21.191-9.398-8.72213.80714.421-0.20433.43740.1963.06617.035-25.0279.461-7.987-14.243-3.70524.83410.551-7.75521.02522.407-26.81327.291-1.07820.27613.663-1.86830.6284.304-12.130-14.963-21.454-21.406-33.281-13.20915.63611.9539.49430.997	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	32.7029.5735.7434.3229.7724.1324.3231.4030.4122.4424.6040.2240.7821.9040.5728.6934.1944.9726.3636.2535.8743.4942.5832.0447.1332.9730.9139.5931.0040.4534.5542.1132.4535.1929.3844.2334.0328.1140.1834.7929.6937.5731.7031.1241.9537.8852.5935.1837.5329.6135.4422.3327.6029.6637.7833.9030.71	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	7994	O	HOH W	261	8.482	29.804	32.750	1.00	43.18	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	799780008003800680098012801580188021802480278030803380368039804280458048805180548057806080638066806980728075807880818084808780908093809680998102810581088111811481178120812381268129813281358138814181448147815081538156815981628165	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	262263264265266267268269270271272273274275276277278279280281282283284285286287288289290291292293294295296297298299300301302303304305306307308309310311313314315316317318319	23.22818.61624.45515.24342.46441.2367.91219.96629.90948.37639.88135.10726.15914.73428.72944.4769.1498.45335.84317.95334.48420.54626.65447.78926.54627.078-1.59718.36222.92011.52450.77745.01126.29037.9385.07125.94337.41418.65140.8754.82232.4720.34418.39139.23022.71411.13726.41414.43645.70647.74728.20527.51633.35017.57435.27340.69522.830	4.90117.8917.35039.32222.29142.26625.98034.9425.24341.93133.24852.8686.3552.89728.61832.84226.71936.59449.2672.17530.96110.02412.39748.70247.52817.78623.1483.57939.7903.61730.94241.60610.41737.36726.5803.94329.53139.02820.54928.93046.07124.43434.40412.73830.90743.96916.89838.6433.59231.12819.45115.67623.1906.7628.52227.21130.722	22.29424.9896.98935.11810.705-13.37631.62433.5760.952-15.106-14.0013.45510.934-9.59325.243-13.60133.72034.0069.976-6.13617.97219.12126.475-13.395-14.329-14.70822.107-11.643-20.817-18.975-14.533-14.351-21.558-12.360-11.903-10.35413.16417.02123.96929.5334.80523.72525.54327.39334.6947.62131.83632.8378.30015.674-4.55018.21415.79812.47215.404-9.510-4.444	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	33.6737.0337.7529.6237.9634.9129.1341.8329.9438.8832.4029.4531.0444.7738.9939.3936.9031.1755.6743.8534.4129.3338.3133.7958.7738.6937.3638.6536.7949.8532.2135.0335.6935.2338.4745.8235.0234.7432.7432.9336.6839.0044.0349.7852.2848.4346.9353.3659.9844.3837.1239.2546.6139.3840.3218.4845.11	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8168	O	HOH W	320	12.172	23.947	-0.830	1.00	47.28	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	817181748177818081838186818981928195819882018204820782108213821682198222822582288231823482378240824382468249825282558258826182648267827082738276827982828285828882918294829783008303830683098312831583188321832483278330833383368339	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO0OOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	322323324326327328329330331332333334335336337338340341342343344345346347349350351352353356357358359361362363364365366367368369370371372373374375376377378379380381382383384	4.62116.39227.0484.17426.43315.53125.76129.2648.51632.56231.3867.11420.39341.8959.12532.78628.26949.62450.85111.66522.13231.17919.54634.36237.28821.7376.5853.26418.13149.23047.78142.21523.15221.82827.19411.3568.84610.07511.5366.97212.23117.32017.70318.09411.29916.82319.54222.36023.47328.19326.3859.6698.3915.3497.66511.5377.547	17.84933.01323.18637.06933.53529.37320.64926.48123.53824.94528.18615.1625.65325.7237.00534.6742.90129.36734.80631.27938.3727.45322.98624.99130.15219.00140.94827.04541.69528.24013.22520.8374.7868.5431.5105.8164.65712.01310.8604.9384.65327.02627.45623.88729.78940.35339.12047.01340.40250.30818.9719.54723.63122.75218.37743.18424.418	19.994-1.199-4.57135.324-25.878-6.781-1.090-29.511-8.452-22.083-29.864-32.3049.91413.491-10.57612.759-4.874-13.173-14.74643.688-27.9601.36630.781-20.636-1.533-28.45133.6236.094-23.5799.95310.9518.6489.0917.0914.4738.1139.4995.4747.5442.945-0.362-2.2361.727-0.884-3.771-0.455-5.207-0.402-11.770-7.390-3.05325.51130.53329.06321.0564.929-0.598	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.000.331.001.001.001.001.001.001.001.001.001.001.000.331.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	48.1538.5743.4331.7353.9640.9432.6650.1146.2148.3448.8953.4844.2336.8042.8550.1239.0414.5432.8432.4929.7336.5842.3943.1934.6239.9735.9338.7936.4835.1851.3629.7441.5539.6058.7849.3854.3245.9642.9456.1452.8544.6556.5534.8387.8152.2259.7343.4825.1449.3936.3755.0339.5438.8940.7843.2645.36	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8342	O	HOH W	385	-0.025	18.640	14.270	1.00	46.90	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	834583488351835483578360836383668369837283758378838183848387839083938396839984028405840884118414841784208423842684298432843584388441844484478450845384568459846284658468847184748477848084838486848984928495849885018504850785108513	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	386387388389390392393394395396397398399400401402403405406407408409410411412413414415416417418419420421422423424425426427428429430431432433434435436437438439440441442443444	0.8000.315-0.9121.4812.30911.66013.75615.04218.88243.94044.05241.47239.34228.21328.57241.2422.50329.55733.73225.62614.7669.0179.0366.01829.68627.6937.44312.1415.1304.0665.48416.1069.46257.36058.35952.64923.47627.27316.45333.34129.03835.83129.21016.9988.1566.9923.6743.8735.4987.3763.28630.99327.21726.91639.68642.36040.230	24.05223.61236.79428.37428.93737.31438.31537.38832.02113.98215.23114.37719.55513.96116.02712.58718.43016.31813.95527.90226.77431.39026.93523.01231.28832.81316.67712.56914.56016.63611.23538.21840.7918.24616.21014.2302.657-0.0797.84638.41140.27630.40234.35219.88316.50418.60716.27217.43120.50223.13138.54318.46821.49524.57826.67926.2593.095	14.00416.55417.0397.4763.51714.40423.95521.70025.92822.64615.89624.42926.39823.21724.62118.809-9.764-28.377-24.200-4.264-8.407-8.390-6.717-7.931-22.407-23.013-26.034-26.261-18.246-19.350-17.672-11.956-13.99327.10024.34814.2333.0760.91016.81010.8469.01714.82820.58429.0756.8488.80313.08615.20124.02527.28712.51628.81931.52734.79314.33517.2411.454	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	34.2254.9153.1634.0743.6032.5355.9146.7234.6149.6353.0852.0344.7441.9041.4634.5049.7951.1053.0047.5368.5546.1673.5245.7858.9353.9444.5833.8040.8239.6537.3657.8841.3150.2243.3547.8348.5456.3147.1436.4535.5676.0843.2034.5040.3349.7247.9059.0045.6237.1552.7530.7135.9151.9637.9955.5539.72	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8516	O	HOH W	445	19.317	29.348	-7.809	1.00	39.81	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	851985228525852885318534853785408543854685498552855585588561856485678570857385768579858285858588859185948597860086038606860986128615861886218624862786308633863686398642864586488651865486578660866386668669867286758678868186848687	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	446447448449450451452453454455456457458459460461462464465466467468469470471472473474475476477478479480481482483484485486487488489490491492493494495496497498499500501502503	31.8756.51610.29617.16929.67531.44312.9620.4714.8671.27220.72414.78734.89642.71148.47351.99647.94519.29711.89128.50124.1739.91023.60928.7951.5049.63414.85317.53618.4965.1603.5233.6663.66051.28242.95448.88826.64629.77229.92733.77850.08832.02821.17133.91231.53118.05324.24625.51453.24444.15829.87526.11242.34624.4595.85915.27329.869	15.38223.24518.88439.77236.36242.12631.57229.05631.97229.67429.41621.8678.46321.73521.51016.03117.0111.0223.60531.79013.61015.34141.25341.39311.61311.40317.70724.12724.41820.29510.59912.53413.81623.02429.03817.6145.06325.40327.72728.22340.13431.3069.81944.56034.18831.25340.23331.74432.1489.624-1.69930.75525.52949.29720.71118.30246.566	-24.532-28.772-29.904-15.806-24.912-16.603-1.775-15.811-10.355-18.115-35.661-38.9228.8944.224-0.3081.479-3.195-8.018-5.11817.31311.92223.13719.08413.488-3.3831.570-29.399-33.620-36.520-30.554-15.166-10.213-2.0269.61611.3855.2737.926-14.322-14.104-16.284-14.915-21.37126.2099.49019.009-8.680-18.374-30.658-17.61220.277-3.46730.6664.770-4.60430.209-39.0431.792	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	39.3534.0437.6241.3737.4756.1039.8138.6972.3147.1345.5958.2643.0829.0837.5236.2136.5045.6142.3039.0133.7242.5450.2655.9074.3041.3338.6040.2145.5551.3251.7746.1450.4744.2866.1136.8544.4724.6027.2433.9635.6334.1535.2431.0444.4243.1633.1346.8443.2743.7841.8742.1145.2944.9242.3141.7942.72	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8690	O	HOH W	504	25.293	50.718	-2.865	1.00	43.74	O
											原子原子原子原子原子原子原子原子原子原子原子原子	869386968699870287058708871187148717872087238726	OOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	505506507508509510511512513514515516	28.13624.09732.27229.94728.25730.7669.12153.17613.58137.49615.08831.370	38.31617.73733.23145.2266.09631.18147.29337.99116.05234.38344.37420.319	-23.58414.916-29.1144.146-7.340-31.380-16.6260.649-28.4018.547-24.88527.252	1.001.001.001.001.001.001.001.001.001.001.001.00	45.3438.6747.8841.0833.3547.3646.8742.2045.5848.8550.6341.05	OOOOOOOOOOOO

表2

CRYST1  99.651  99.651   96.522  90.00  90.00 120.00 P 63

SCALE1    0.010035  0.005794   0.000000       0.00000

SCALE2    0.000000  0.011587   0.000000       0.00000

SCALE3    0.000000  0.000000   0.010360       0.00000

原子	1	N	MET A	1	62.974	12.985	24.186	1.00	38.28	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	358111216172022242728293233343638404246474849515457606162646669727578	CACBCGSDCECONCACBCGOD1ND2CONCACBOG1CG2CONCACBCGCDCONCACBCGCDCENZ	MET AMET AMET AMET AMET AMET AMET AASN AASN AASN AASN AASN AASN AASN AASN ATHR ATHR ATHR ATHR ATHR ATHR ATHR APRO APRO APRO APRO APRO APRO APRO ALYS ALYS ALYS ALYS ALYS ALYS ALYS A	111111122222222333333344444445555555	62.32561.67760.97061.38760.51761.28360.32361.47060.55861.08062.36862.69463.12559.14858.96658.15456.75255.87156.22356.14356.20955.43256.63356.17357.02958.18657.58954.69354.17554.04252.63652.21750.73550.49249.38348.076	12.62811.23010.7549.0278.12413.67813.85114.38815.48916.24416.94817.31317.14615.00413.89515.83615.58915.30316.18013.90016.80517.60416.96218.07617.94317.12116.12017.98216.89519.14219.29520.75821.05722.58322.87222.307	22.86922.92621.65621.11022.29222.53223.25721.42921.07319.85920.12721.26919.07820.76920.29221.07520.67821.90122.97522.45419.92820.49118.67717.84916.56516.97517.93717.51317.25317.53517.16017.33817.07216.89815.87516.325	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	39.3039.7540.4545.7744.9938.8338.2839.4639.8538.5935.8733.2929.8741.5740.7444.7347.0646.9646.9547.3249.8150.6052.6055.0354.8053.9652.9957.2357.2260.3562.5763.3266.1469.1470.5771.00	CCCSCCONCCCONCONCCOCCONCCCCCONCCCCCN

原子	82	C	LYS A	5	52.400	18.859	15.714	1.00	63.28	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	8384868891949596979899101103106109110111112113114116118121122124126128130132133134136138141142147148149150151152157158159161163166167168169170171173175178179181	ONCACBCGCDOE2OE2CONCACBCGCD0E1OE2CONCACBCGCD1CE1CZCE2CD2CONCACBCGCGCDCDOE1OE1NE2NE2CONCACBCGOD1OD2CONCACBCGCD1NE1	LYS AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AASP AASP AASP AASP AASP AASP AASP AASP ATRP ATRP ATRP ATRP ATRP ATRP A	56666666667777777778888888888899999999999991010101010101010111111111111	53.16651.34950.86249.50848.54547.43547.70946.28850.70850.06351.30051.18652.01951.90452.50553.12652.35949.71348.84449.44048.10148.10146.70945.89944.62744.15544.96046.22147.65448.43146.41845.93945.17943.81546.19343.31847.36743.21147.36843.05048.33445.16344.01045.84445.34846.13345.37544.13245.95645.41245.68745.16345.09644.84945.79045.56046.652	19.23318.04817.61716.89117.12316.10414.94716.45518.78919.80518.62419.61319.17617.70117.42318.36616.26919.86518.98521.08221.43222.84823.40723.88424.39824.43523.96323.46220.36919.96319.90418.78417.77217.40717.37716.02816.64015.72515.42215.18417.38119.29719.75319.25819.90521.20522.15022.26722.82118.97319.38817.70516.71115.32714.92314.95414.486	14.80915.53114.20914.33313.16813.13512.75213.49813.23513.53812.06210.9859.7589.3447.9577.3817.44410.58410.73510.0999.5868.9678.6839.7309.4698.1347.0877.3658.5587.6968.6827.8798.7888.1579.8628.5699.2469.7389.2027.5948.7176.6536.7595.5014.2894.0043.1093.2202.2383.1051.9843.3752.3232.9003.9815.3175.998	1.001.001.001.001.OO1.001.001.001.OO1.OO1.OO1.OO1.OO1.001.001.001.001.001.OO1.001.001.001.001.001.001.001.OO1.OO1.001.001.001.001.000.500.500.50O.50O.500.500.50O.501.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.00	63.0364.6065.3565.9366.8468.7869.6471.5265.3065.4965.4365.5166.1167.4870.6470.7870.3864.4564.3562.8261.1961.9665.2068.1169.2470.2568.2467.0257.6258.0253.1949.4849.7648.1248.2445.9946.9445.3846.0145.7746.8046.1445.7341.5038.5838.4339.5836.9746.1834.8134.4631.1929.2728.2927.5327.8729.10	ONCCCCOOCONCCCCO0CONCCCCCCCCCONCCCCCCOONNCONCCCOOCONCCCCN

原子	183	CE2	TRP A	11	47.610	14.122	5.088	1.OO	29.02	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	184185187189191193194195196198201204207208209211213215218222226227228230232234238242243244246248251254257259260263266267268270272274277281285286287289291295296297299301305	CD2CE3CZ3CH2CZ2CONCACBCGCDC0NCACBCG1CD1CG2CONCACBCG1CG2CONCACBCGCDNECZNH1NH2CONCACBCG1CD1CG2CONCACBCONCACBC	TRP ATRP ATRP ATRP ATRP ATRP ATRP APRO APRO APRO APRO APRO APRO APRO AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AILE AILE AILE AILE AILE AILE AILE AILE AALA AALA AALA AALA AALA AALA AALA AALA AALA A	111111111111111212121212121213131313131313131414141414141415151515151515151515151616161616161616171717171718181818	47.09447.89549.17749.63848.88843.93342.96244.02742.94043.41044.81545.20041.58640.62141.49840.20140.31138.94238.96841.11239.58338.35440.40439.94941.06340.60741.42239.46538.43740.19639.75140.82942.10143.11344.15545.07845.95045.10138.43237.59838.26437.02837.14337.95038.62435.76735.91034.92836.11135.04135.50234.49233.35735.27234.73335.77033.483	14.39114.13713.60313.34513.62417.01717.62516.54216.61515.65715.80915.89616.19616.86615.11414.67913.27712.68411.19713.29915.69815.85416.36717.49218.05319.41217.03818.63019.22718.95320.01020.31820.83721.21122.13522.70123.57622.41319.66720.57018.38617.92016.48416.45815.16215.85818.10518.71817.68217.68016.98119.06519.16520.12921.50422.50421.783	3.8102.7042.9124.1885.2891.3751.7680.142-O.806-1.882-1.878-0.465-O.280-0.6040.4770.9971.6311.8712.3562.9421.9471.9572.7563.5704.4945.1495.6242.6992.9331.6710.756-02790.321-O.728-O.244-1.041-0.567-2.327O.056-0.084-0.380-0.981-1.471-2.779-3.073-1.7240.026-O.2731.2612.2603.5102.6213.0392.4692.6122.2841.761	1.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.OO1.001.OO1.001.0O1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	26.5226.8127.6427.3627.7827.8426.9525.8224.6024.8023.6725.8523.9124.4423.1722.9523.0723.1623.8924.2322.2423.2121.2620.7021.0522.2921.5420.3421.4920.5020.7320.6720.0923.9928.3529.2728.0830.8020.8219.7620.5321.4422.4222.4519.9022.3822.0522.7623.5623.6823.6524.1825.1023.7223.3923.2822.60	CCCCCC0NCCCCC0NCCCCCCONCCCCCONCCCCNCNNCONCCCCCCONCCCONCCC

原子	306	O	ALA A	18	32.596	22.504	2.154	1.00	21.34	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	307309311314315317319321323324325327329332334338342343344345347350353356357358360362365366367368369370372374377379383387388389391393395398402406407408410412414418422423424	NCACBCGND1CE1NE2CD2CONCACBCGCD1CD2CONCACBCGCDCONCACBCGOD1OD2CONCACBCGCD1CD2CONCACBCG1CD1CG2CONCACBCG1CG2CON	HIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU APRO APRO APRO APRO APRO APRO APRO AASP AASP AASP AASP AASP AASP AASP AASP ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATYR A	191919191919191919192020202020202020212121212121212222222222222222232323232323232324242424242424242525252525252526	33.44332.36732.88833.88633.65234.72735.63935.13631.10830.16731.12130.05230.48430.79331.39029.53929.63330.41628.37327.91026.37926.06627.28428.29628.65028.22728.44228.31929.38530.46129.25627.49227.89626.25925.25924.08822.87922.04322.01925.85225.52326.73727.34127.47926.11825.26528.39728.67828.94929.50030.86731.58532.90331.83830.96731.80230.092	21.17121.35521.03022.01522.81723.55023.26122.31120.52720.59819.74018.80317.37817.09515.74717.17618.92319.31318.62918.64818.74818.03418.30017.34716.41417.32516.13316.46617.47017.48518.30515.00713.85315.36614.44315.24714.45714.01515.30313.55912.36314.11813.30914.11414.46413.28313.40012.76711.56913.63713.27914.39813.90515.56412.00511.16511.896	0.597-0.341-1.713-2.213-3.307-3.533-2.622-1.782-0.073-0.8521.0131.3421.022-0.444-0.618-1.3032.7913.6523.0764.4644.3233.0622.1405.1444.4696.4667.2578.7509.2018.54310.1356.8516.8696.4615.9435.3674.8766.0353.9194.8704.7544.0523.0071.7051.1160.6510.6703.4893.3244.0854.4435.1645.6994.2095.2945.0266.288	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	22.9523.2822.7625.3425.1328.6125.7924.8623.5822.1124.7024.4425.0427.0027.7829.8524.1924.4423.9024.0023.9524.1723.8023.9923.9624.2424.7623.5824.0123.8918.4325.3124.7425.0624.5824.8627.1328.5729.6124.2824.4723.5122.9523.0122.9224.9722.8923.2723.1823.1123.5623.2823.2824.1524.5822.9526.46	NCCCNCNCCONCCCCCCONCCCCCONCCCOOCONCCCCCCONCCCCCCONCCCCCON

原子	426	CA	TYR A	26	30.051	10.808	7.253	1.00	28.78	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	428431432434436437439441443444445447450451452454456459460462464466468469470472474477478480482484486488489490492494497499500501502504507510513514515517519522525526527528529	CBCGCD1CE1CZOHCE2CD2CONCACONCACBCGND1CE1NE2CD2CONCACBCGCD1CE1CZCE2CD2CONCACBOGCONCACBCGCDCONCACBCGCDOE1OE2CO	TYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AGLY AGLY AGLY AGLY AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ASER ASER ASER ASER ASER ASER APRO APRO APRO APRO APRO APRO APRO AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU A	262626262626262626262727272728282828282828282828292929292929292929292930303030303031313131313131323232323232323232	29.99531.21731.12232.25133.46134.58633.56832.46928.82028.27828.37327.10027.18326.22628.30428.41629.29430.74331.29032.57332.87731.74727.08926.61826.50525.28024.43224.50323.94524.01024.64225.18925.11625.61526.69524.63024.69023.29522.90925.22125.22125.66426.15227.00426.28125.68524.95225.00523.89122.69321.57420.61520.12819.04220.85122.12622.123	11.38512.19313.54014.27513.65214.34412.29911.5949.9499.3869.8439.2237.7717.0337.3485.9795.1345.5456.4246.6085.9035.2365.2684.3925.6865.0896.1087.5017.8389.14610.1159.7778.4804.0444.0653.2032.2691.6960.8092.8924.1312.0312.5021.3220.0700.5512.7543.6951.9552.1341.2191.8760.9431.226-0.0443.5664.322	8.6609.0289.3249.6529.6779.9939.3989.0647.0387.9815.7965.5145.1185.2934.5794.0514.9984.9795.8985.6284.5524.1213.6524.3542.5221.9521.1561.6552.8783.3572.6011.3620.8970.9210.3340.629-0.494-0.7600.278-1.793-1.979-2.709-4.009-4.493-3.938-2.620-4.957-5.744-4.858-5.678-5.170-4.176-3.093-2.514-2.796-5.783-4.823	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	28.6227.4626.8826.0723.9526.3927.4327.3531.7633.0035.1637.5439.9440.6642.5745.8746.3750.0753.6451.6352.5853.1146.5547.3948.1148.7349.1848.7949.2150.9449.5449.1549.4249.6249.4950.6751.9952.3853.0753.1353.2553.8953.8654.3753.8854.3453.4254.8051.6751.0251.4854.4958.3660.8960.8249.0649.08	CCCCCOCCCONCCONCCCNCNCCONCCCCCCCCCONCCOCONCCCCCONCCCCOOCO

原子	530	N	ARG A	33	21.576	3.869	-6.951	1.00	46.74	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	532534537540543545546549552553554555557560563566567568570572575576578580582584586587588590592595598599603604605607609612613614615616617619621624625627629630632634636637638	CACBCGCDNECZNH1NH2CONCACBCGCDCONCACBCGCD1CE1CZCE2CD2CONCACBCGSDCECONCACBCGOD1OD2CONCACBCGCD1CE1CZOHCE2CD2CON	ARG AARG AARG AARG AARG AARG AARG AARG AARG AARG APRO APRO APRO APRO APRO APRO APRO APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AMET AMET AMET AMET AMET AMET AMET AMET AASP AASP AASP AASP AASP AASP AASP AASP ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APHE A	333333333333333333333434343434343435353535353535353535353636363636363636373737373737373738383838383838383838383839	20.92621.78723.19223.22124.50424.81023.94526.00519.52119.38718.47618.55717.23516.27617.09618.64118.28919.14519.18520.63220.77020.87120.99721.01220.90720.77618.37018.51017.53616.67115.19114.73415.03713.32916.91717.05816.97617.04718.43118.80818.01119.87716.02215.53115.69214.65113.33313.02613.56013.31712.52712.29811.97812.23015.11015.65714.897	5.1385.8996.1757.2377.3416.7335.9476.9224.9124.1705.5426.4957.2446.2405.3515.7844.6156.5026.0416.0235.7884.4964.2735.3536.6466.8567.0558.2576.5657.4087.1527.6126.3555.8287.0835.9238.1067.9378.3077.4946.6327.6348.8279.7428.5449.2798.4837.8866.6676.1176.7896.2068.0228.5679.5398.66510.748	-7.248-8.246-7.749-6.725-6.054-4.917-4.283-4.406-7.847-8.805-7.314-6.208-6.293-6.877-7.774-4.873-4.758-3.881-2.516-2.017-0.535-0.0361.3222.2011.7080.357-1.750-1.976-0.833-0.011-0.342-1.724-3.058-3.5331.4531.8012.3003.7384.2845.5065.9306.1054.3623.7235.6186.3436.3284.9604.5843.3192.4121.1572.7564.0287.7658.4238.238	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	44.7744.5844.7644.4745.3445.3144.9045.8743.1441.8741.6941.3241.2041.3941.5041.2440.8241.1840.8140.5739.8940.6640.9239.7137.4337.6341.7141.5342.6943.7244.2747.6456.8055.8643.3344.4942.7242.3843.2645.3747.9549.1941.2841.0040.3039.2239.5140.9141.8242.0243.4745.9243.1642.6737.3538.2834.88	CCCCNCNNCONCCCCCONCCCCCCCCCONCCCSCCONCCCOOCONCCCCCCOCCCON

原子	640	CA	PHE A	39	15.249	11.109	9.594	1.00	32.62	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	642645646648650652654656657658660662665666667668669670672675676677679681683687691692693695697700702706710711712714716719722723727728729731733736737739741743745747748749751	CBCGCD1CE1CZCE2CD2CONCACBCGOD1OD2CONCACONCACBCG1CG2CONCACBCGCD1CD2CONCACBCGSDCECONCACBCGCD1CE1CZCE2CD2CONCA	PHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP AGLY AGLY AGLY AGLY AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AMET AMET AMET AMET AMET AMET AMET AMET APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AVAL AVAL A	393939393939393939404040404040404041414141424242424242424343434343434343444444444444444445454545454545454545454646	16.74217.23817.18317.65718.16818.25117.79114.42313.55114.70014.04513.21912.09111.05912.18015.09016.25814.66515.60214.90313.67915.71815.30615.59715.37414.73116.07017.28815.36416.01115.30115.33514.36316.72116.06015.19217.09517.24818.46818.64020.25919.94717.49918.44116.67016.91515.70016.02816.74217.07316.68715.97315.65317.26116.46218.47318.913	11.45012.32513.69314.49713.95012.59211.77212.29212.66912.87114.06313.78612.81313.23211.59315.11214.82316.35917.47018.80118.91219.82021.21221.77523.27921.07321.96621.89322.65623.36423.04321.58621.40921.10424.87925.47225.50526.96327.38728.88929.38229.05727.31726.79328.18828.73028.61028.70927.69527.77728.89129.90729.80730.16930.90030.56731.944	9.6868.5798.6867.6876.5616.4297.4349.9739.24611.11611.53012.81112.56412.03912.77011.76411.92011.79411.87711.94511.80312.15312.19013.59413.65614.60211.10211.04010.2109.1057.7947.3106.1686.8709.3129.9638.7418.6759.4789.66010.35412.0767.2496.6506.6825.3564.4472.9812.3431.0050.2740.9002.2505.5676.1065.1975.370	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	32.8931.8330.1728.9629.7529.4932.1531.1830.3530.3830.6432.1033.3239.6239.8630.1729.0730.8531.0131.4531.1032.4032.6032.9834.8733.4732.4032.1732.6732.0231.9930.7931.3727.8132.8532.2433.9633.8134.0735.8037.3639.0234.7634.6635.9937.7238.4141.9545.9447.6849.2747.8146.2438.4338.6339.8141.21	CCCCCCCCONCCCOOCONCCONCCCCCONCCCCCCONCCCSCCONCCCCCCCCCONC

原子	753	CB	VAL A	46	20.248	32.050	6.117	1.00	40.71	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	755759763764765767769772773774775776777779781783786790794795796798800803805806807809812813814816818821822824826828830832833834836838840842846847848850852856857858860862865	CG1CG2CONCACBCGOD1OD2CONCACBCG1CD1CG2CONCACBOGCONCACONCACBCGCD1CE1CZCE2CD2CONCACBOG1CG2CONCACBCONCACBCG	VAL AVAL AVAL AVAL AASP AASP AASP AASP AASP AASP AASP AASP AILE AILE AILE AILE AILE AILE AILE AILE ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ATHR ATHR ATHR ATHR ATHR ATHR ATHR AALA AALA AALA AALA AALA AMET AMET AMET AMET A	464646464747474747474747484848484848484849494949494950505050515151515151515151515152525252525252535353535354545454	20.64920.14219.06519.78118.37818.40316.99516.96517.36016.62219.12618.79820.12020.73122.25522.90323.51322.78920.10520.16419.49018.84317.37316.78719.60619.88819.90220.60421.72522.31921.99223.28923.78725.02024.96526.12327.36227.41126.23923.40324.50422.31622.30921.09119.87121.08622.36322.75821.97222.08621.36623.56124.04324.26825.71826.24625.814	33.47431.39432.51231.97933.61534.26934.53835.23034.57636.42835.57836.41035.77837.10137.05336.44837.47438.49637.88437.47039.01439.81740.08340.89641.10941.74041.48942.72942.52943.49441.26940.90339.62239.82139.94840.17140.29040.18839.95440.76740.94340.40740.41739.66940.21338.19941.85842.08842.80444.23345.02744.60145.25944.17244.32943.66744.348	6.3057.4663.9923.1523.7572.4592.0100.703-0.2960.6012.5303.3791.6711.5751.4232.6933.6581.1180.425-0.7460.767-0.2430.095-0.922-0.3520.656-1.595-1.934-2.938-3.418-3.280-3.799-3.150-2.378-0.996-0.249-0.914-2.316-3.033-5.268-5.780-5.947-7.425-8.024-7.506-7.615-7.950-9.103-7.079-7.327-6.241-7.347-8.287-6.300-6.223-4.980-3.721	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	41.2141.7243.0242.5746.1748.1748.6449.7049.9149.7350.0550.1652.5754.7155.5455.5755.9855.7656.2255.8557.7559.0759.3160.4759.6359.6260.7161.0861.2561.5761.4861.2261.4562.7065.0566.3666.6265.5963.8760.6060.3860.2859.9959.7858.7659.0660.0859.5160.2160.2660.2660.6660.5060.9061.2061.8864.23	CCCONCCCOOCONCCCCCCONCCOCONCCONCCCCCCCCCONCCOCCONCCCONCCC

原子	868	SD	MET A	54	27.110	44.191	-2.525	1.00	69.58	S
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	869873874875877879881883887888889891893896899900901902903904906908911914917920924925926928930933934936938940942944945946948950953955956957959961964966967968970972976977978	CECONCACBOG1CG2CONCACBCGCDOE1OE2CONCACBCGCDCENZCONCACBCGCD1CE1CZCE2CD2CONCACBOGCONCACBOGCONCACBCON	MET AMET AMET ATHR ATHR ATHR ATHR ATHR ATHR ATHR AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ASER ASER ASER ASER ASER ASER ASER ASER ASER ASER ASER ASER AALA AALA AALA AALA AALA AMET A	545454555555555555555656565656565656565757575757575757575858585858585858585858595959595959606060606060616161616162	26.14326.37327.09026.10126.63425.93626.15826.57726.52427.39725.45625.30623.83522.89722.26722.89221.12926.19826.95626.11627.00526.68927.65927.11527.96327.96528.47629.32628.77530.15630.30430.59429.72129.97831.12131.99831.73430.68831.89129.80530.24829.20429.56130.61631.22830.26030.56229.80430.53532.05832.79832.46733.83333.85634.41935.65433.529	43.71043.69544.36342.41541.74140.39339.53739.63542.60342.53243.39244.28644.70143.54043.61344.18043.08145.52445.86946.17547.28647.93147.58847.98347.41648.30646.86947.72145.58145.12043.91244.27343.90944.24344.93845.29944.96944.78344.58844.70544.73344.09244.21246.16346.31347.18548.60249.55649.88748.92948.43549.77550.27151.38050.80050.93851.137	-1.097-7.420-8.143-7.656-8.825-9.052-7.933-10.205-10.083-10.939-10.220-11.387-11.597-11.919-13.309-14.245-13.463-11.253-12.159-10.106-9.824-8.457-7.323-5.948-4.779-3.555-9.885-10.098-9.683-9.578-8.647-7.222-6.209-4.879-4.555-5.558-6.888-10.942-11.095-11.936-13.340-14.248-15.609-13.832-14.916-13.029-13.318-12.365-11.183-13.280-12.415-14.230-14.386-15.449-13.077-12.950-12.133	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	69.4760.7861.1160.0759.6759.1857.9158.9160.4160.6461.5062.7463.3765.7869.5169.1472.5562.4662.3162.5463.2963.2563.9464.7664.5863.6963.6064.0963.6763.6163.4662.0361.8461.4160.4661.2861.4764.4364.6365.5766.7366.6667.0867.5668.0868.0568.3868.3767.7168.7768.9569.0369.0268.7369.4269.6769.29	CCONCCOCCONCCCCOOCONCCCCCNCONCCCCCCCCCONCCOCONCCOCONCCCON

原子	980	CA	MET A	62	33.903	51.529	-10.767	1.OO	69.16	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	982985988989993994995997999100210031005100710081010101210141015101610181020102310261027103110321033103510371040104110421043104410451047104910521055105810601061106410671068106910711074107510761078108010841085108610881090	CBCGSDCECONCACBCGCD1CE1CZOHCE2CD2CONCACBCGSDCECONCACBCGOD1OD2CONCACBCGCDNECZNH1NH2CONCACONCACBCONCACB	MET AMET AMET AMET AMET AMET ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AMET AMET AMET AMET AMET AMET AMET AMET AASP AASP AASP AASP AASP AASP AASP AASP AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AGLY AGLY AGLY AGLY AALA AALA AALA AALA AALA AGLU AGLU AGLU A	626262626262636363636363636363636363646464646464646465656565656565656666666666666666666666676767676868686868696969	32.64132.80431.28730.96534.93535.96534.63935.49534.62733.59632.30431.33931.68430.73632.98333.93236.52836.49437.45038.1339.66539.76940.61839.45838.08437.08639.01938.71039.47438.85238.01739.06038.84139.37638.28838.39739.42740.84141.94041.85741.32440.86641.27237.03336.92735.99134.62134.37433.91734.69434.44534.81235.20434.66136.45237.33138.769	51.63752.55853.38352.58150.59351.06349.28648.24747.09247.57047.85848.31648.51748.97548.26347.79747.75446.59048.65948.63349.10150.67351.50351.18847.31247.11746.38045.07644.87345.64045.05746.87143.93642.88144.20243.35143.95343.91444.21543.28043.51944.71442.52343.22042.95043.39843.30741.96641.90640.90139.54438.50439.27638.71839.72039.56839.957	-9.896-8.709-8.259-6.559-10.096-9.560-10.130-9.528-9.019-8.036-8.449-7.551-6.214-5.309-5.792-6.707-10.534-10.977-1O.865-12.129-11.856-11.738-10.288-8.863-12.932-13.613-12.865-13.488-14.766-15.859-16.583-15.982-12.535-12.865-11.356-10.201-9.247-9.786-8.700-7.598-6.412-6.065-5.543-9.534-8.356-10.327-9.873-9.260-8.118-9.983-9.462-10.512-8.146-7.209-8.090-6.922-7.321	1.001.001.OO1.001.001.OO1.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.OO1.001.OO1.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.00	69.6871.1975.9674.1668.1967.8866.8666.0866.1266.3267.1568.5368.7369.1268.0967.2964.6466.1062.1859.8560.0159.9759.8757.6757.2257.2153.9551.5251.7553.8655.2257.1347.6647.3843.3239.8738.9334.9331.0726.3824.4221.6525.3537.8137.8036.3034.4932.6532.4830.3429.8929.4429.2729.5428.5128.5228.99	CCSCCONCCCCCCOCCCONCCCSCCONCCCOOCONCCCCNCNNCONCCONCCCONCC

原子	1093	CG	GLU A	69	39.407	39.044	-8.353	1.00	28.72	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	109610971098109911001101110311051108111111121113111611171118112011221125112711311135113611371139114111431147115111521153115511571160116311641165116611671168117011721174117711811185118611871189119111941196120012041205120612081210	CDOE1OE2CONCACBCGCDOE1NE2CONCACBCGCD1CD2C0NCACBCG1CG2CONCACBCGCDOE1OE2CONCACBCG1CD1CG2CONCACBCGCD1CD2CONCACB	GLU AGLU AGLU AGLU AGLU AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AVAL AVAL AVAL AVAL AVAL AVAL AVAL AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AASN AASN AASN A	696969696970707070707070707071717171717171717272727272727273737373737373737374747474747474747575757575757575767676	39.07638.46939.41736.87836.93136.40235.87235.68136.94436.93737.33336.48534.55234.23933.77832.47531.74730.37829.53629.71232.59131.95233.44533.59434.42335.86734.31734.16233.76135.08335.64836.70337.34538.43139.19938.51834.60734.64133.73932.78632.25731.54532.41831.32831.66731.24031.24630.26929.99328.92027.52228.95030.77830.16631.92132.51633.747	39.37240.40138.55540.38939.95041.59542.43543.83444.64345.75146.87045.45241.92742.11641.32140.73640.50239.83740.49239.93439.41739.22638.51037.29736.22036.62234.94037.63137.04738.58539.02440.11240.55041.58641.81042.15639.52339.14140.42741.00742.39343.07543.32042.26340.01739.88239.27738.21137.59736.51137.04135.89137.17136.93636.57135.65634.987	-9.817-10.128-10.697-5.703-4.574-5.951-4.882-5.438-5.439-4.376-4.673-3.173-4.314-3.107-5.224-4.961-6.294-6.215-5.133-7.537-4.207-3.212-4.627-3.833-4.545-4.681-3.793-2.470-1.446-2.433-1.168-1.391-0.106-0.2900.661-1.383-0.1411.028-0.5520.384-0.0921.0652.323-1.3060.6681.800-0.346-0.155-1.521-1.642-1.372-3.0290.8861.9510.6141.5680.958	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	32.0529.8434.8928.1026.9828.6328.7329.0930.6632.8339.3430.5928.8728.0428.9029.0530.3632.7935.5133.5728.2127.9028.5428.4428.9031.5530.3927.9628.3426.6726.1224.6323.2921.5218.7025.5426.4627.2427.6529.0728.9829.2429.1029.2529.7530.9430.4331.1031.3036.8039.2637.9330.3330.5929.2628.2228.46	COOCONCCCCONCONCCCCCCONCCCCCONCCCCOOCONCCCCCCONCCCCCCONCC

原子	1213	CG	ASN A	76	33.359	33.970	-0.109	1.00	27.79	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	121412151218121912201222122412271228123012321233123512371239124012411243124512481249125112531255125712581259126112631265126812721276127712781280128212851287128812891291129312971298129913011303130513081312131613171318132013221324	OD1ND2CONCACBCGCD1CE1CZOHCE2CD2C0NCACBCGND1CE1NE2CD2CONCACBCG1CD1CG2CONCACBOGCONCACB0NCACBCG1CD1CG2ONCACBCG1	ASN AASN AASN AASN ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AILE AILE AILE AILE AILE AILE AILE AILE ASER ASER ASER ASER ASER ASER AALA AALA AALA AALA AALA AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL A	767676767777777777777777777777777878787878787878787879797979797979798080808080808181818181828282828282823283338383	34.18832.06232.79532.69333.06533.31233.67033.85234.72734.89934.18534.40933.32233.14532.05332.10630.91429.64728.60428.97029.01429.43529.70329.42029.14228.75329.15728.64728.54627.44327.26728.17429.46528.90130.77831.62433.05033.66631.15431.23430.75530.34130.08429.09628.93028.22226.97826.07325.69524.81224.82127.27026.65628.19728.57229.55130.230	33.46033.67036.23135.50237.54138.16039.65940.34939.82240.42641.58442.13542.16141.52437.97837.58438.26738.19439.09240.54341.23642.46542.58241.39636.77336.40235.98534.63334.06734.84134.46732.62033.75432.96633.92933.28533.82833.34433.48632.57534.70734.99536.52734.19933.76134.03933.29833.49234.95735.16532.68431.83031.15831.33629.92029.61128.229	-0.877-0.1502.9363.9523.0134.3294.2295.5866.5437.7718.1109.3627.2135.9255.1736.3194.5715.2994.5964.6635.8495.6244.3403.7165.4916.5754.4364.5033.1072.373O.9283.1685.4416.1955.4436.4376.3765.2447.8588.6448.2139.5849.7669.93911.0638.9639.1217.8777.6876.4747.9899.2700.0848.4518.4357.2927.441	1.001.001.001.001.OO1.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.00	27.1321.5528.3527.4128.4828.9429.0229.0528.7727.2128.7532.0127.1629.8429.4527.7030.6431.8132.2134.2836.2435.7933.8735.1931.2432.2831.2431.0731.4532.5635.5533.0730.313O.3329.3529.0728.7730.6028.7728.8928.6028.3628.4128.2428.9328.2828.2728.1428.1927.1928.5927.6427.1628.0427.7327.6725.20	ONC0NCCCCCCOCCCONCCCNCNCC0NCCCCCCONCC0CONCCCONCCCCCCONCCC

原子	1328	CG2	VAL A	83	28.816	29.708	5.982	1.00	28.63	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	133213331334133613381341134413451346134713481349135113531356135913621365136913701371137313751377138113851386138713891391139413961400140414051406140814101412141514191423142414251427142914321433143514371439144114431444144514471450	CONCACBCGCDOE1OE2CONCACBCGCDCENZCONCACBCG1CG2CONCACBCGCD1CD2CONCACBCG1CD1CG2CONCACBCGCD1CE1CZCE2CD2CONCAC	VAL AVAL AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AILE AILE AILE AILE AILE AILE AILE AILE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLY AGLY AGLY A	838384848484848484848485858585858585858586868686868686878787878787878788888888888888888989898989898989898989909090	29.16728.84329.98030.57931.58632.79333.94434.02434.77229.51729.59328.51227.46726.51527.15626.77927.51627.69526.68726.39826.38425.69725.28624.89624.16026.54026.03127.82828.68830.04930.03331.41729.25028.91028.84629.20029.38929.85231.30331.92929.77228.15128.29626.96225.68424.54024.51825.40125.38824.44123.54823.59025.27024.16826.12325.89025.199	29.56528.54030.45430.22131.35030.83131.80332.55431.80830.06329.13430.93830.86932.06633.37733.70234.93834.75929.58328.96529.14327.86027.66626.17928.66726.69125.87426.63525.52825.63425.43725.43024.22525.48124.43426.63626.78428.23228.35429.74528.57626.38825.83926.64226.22527.21228.50529.53930.70330.85029.82528.67224.80424.37124.07722.67622.244	9.77110.34710.30511.59311.93112.68112.70613.70811.74512.67413.48212.67413.70113.64614.11015.54416.12617.63313.61514.63512.40812.21610.76010.42410.39412.73113.47512.38612.81812.10010.5759.97210.21514.34914.99314.91716.34416.62716.16716.30218.11617.15918.25016.61617.21916.82617.64017.35918.09519.12419.40018.66816.85117.18416.13315.87014.595	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	28.8329.1029.7931.0932.4135.8042.0146.4645.9030.6630.5029.9529.7830.6332.4037.1738.3040.9628.1428.7827.1425.9525.6323.7825.0826.7627.3426.8326.7227.0825.4826.0324.3027.2127.1727.2727.3927.9830.9134.6729.2526.7426.5426.4327.0028.1828.1828.5128.3530.2228.9229.3826.3126.5026.0125.5626.00	CONCCCCOOCONCCCCCNCONCCCCCONCCCCCCONCCCCCCONCCCCCCCCCONCC

原子	1451	O	GLY A	90	24.897	21.048	14.444	1.00	26.45	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	145214541457145814591461146314661467146814691470147114731475147714801484148814891490149214941497149915031507150815091511151315161519152215251529153015311533153515381539154115431545154715491550155115531555155915601561156315661567	NCACONCACBCGOD1OD2CONCACBCG1CD1CG2CONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCGCD1CE1CZCE2CD2CONCACBCONCACO	GLY AGLY AGLY AGLY AASP AASP AASP AASP AASP AASP AASP AASP AILE AILE AILE AILE AILE AILE AILE AILE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AALA AALA AALA AALA AALA AGLY AGLY AGLY AGLY A	919191919292929292929292939393939393939394949494949494949595959595959595959696969696969696969696979797979798989898	24.95224.32125.29226.52824.72025.39225.03125.88225.51326.90024.88223.68725.75225.32026.37026.72926.03925.92525.18626.17323.95423.64122.15621.57120.16322.44023.96624.43123.71923.80222.60422.98021.77021.99820.69723.80723.20524.54024.61326.07626.88827.60428.36428.42527.71926.97323.87024.26522.77022.06620.56322.31221.55623.39723.88624.22025.239	23.16222.79822.24522.42621.54721.15719.70019.04317.89919.58122.04422.05922.81223.63724.77825.64826.86225.54722.67622.19522.38921.47621.15620.34819.90119.13822.00421.27123.27423.77223.27122.66221.99620.50919.90925.27425.90425.80327.21127.63927.65726.54126.55927.71428.84328.81027.37626.81028.11628.49928.18530.00230.84630.29331.63132.36432.144	13.65312.37911.33211.41010.3559.1528.8937.8457.4707.3218.0177.7657.3566.2015.8167.0237.1084.5795.0524.5634.6353.5353.5504.7014.2755.0452.1591.3071.9170.545-0.269-1.616-2.240-2.510-2.7800.4821.298-0.497-0.845-1.0300.2460.6481.8132.5692.1591.020-2.185-3.183-2.184-3.415-3.329-3.640-3.186-4.351-4.570-3.287-2.627	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.000.500.500.501.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	26.3125.0225.0824.9623.2922.3622.0622.0721.6320.2922.4721.6422.4522.8722.5719.2618.2920.4823.7724.4825.7225.4925.6724.8224.6925.5626.1626.5427.6228.9030.2232.2734.4734.4432.7428.7027.6430.2230.8330.2030.9131.1029.5530.7130.1430.0332.4633.0734.7636.2935.6837.7438.3638.8139.2740.2942.06	NCCONCCCOOCONCCCCCCONCCCCCCONCCCCCNCONCCCCCCCCCONCCCONCCO

原子	1568	N	ASP A	99	23.295	33.250	-2.982	1.00	40.27	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	157015721575157615771578157915801581158215831585158715911592159315951597160016021606161016111612161416161619162116251629163016311633163516391640164116431645164816501654165816591660166216641667166816701672167316741676167816801682	CACBCGCGOD1OD1OD2OD2CONCACBCONCACBCGCD1CD2CONCACBCGCD1CD2C0NCACBCONCACBCGCD1CD2CONCACBCGCD1NE1CE2CD2CE3CZ3CH2CZ2C	ASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AALA AALA AALA AALA AALA ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP A	99999999999999999999100100100100100101101101101101101101101102102102102102102102102103103103103103104104104104104104104104105105105105105105105105105105105105105	23.25722.29620.97422.98620.71424.22620.16122.32722.59722.67021.87521.05719.72621.75722.73821.19421.92422.96223.76424.83622.88420.95320.18020.99920.19519.45718.53817.33518.09421.04121.95620.68221.31921.91920.37219.17520.96820.27520.39419.94918.41920.45420.87222.06720.00820.33619.94820.81821.64522.23621.80520.90020.29820.61921.53122.12319.533	34.23135.30234.65536.61034.52936.73234.18437.57033.60634.16032.50231.78331.47230.47930.01229.85328.85129.61129.12430.17928.89728.07328.67726.74425.82324.86023.85324.52622.78724.99724.31125.05524.30925.28023.33523.53222.34221.21219.99518.65118.62517.50220.83820.66920.70120.04420.87622.00722.10923.35424.06523.25523.76625.03625.80125.34418.768	-1.895-2.467-2.875-2.693-4.085-2.497-2.064-3.130-O.617-0.506-0.8620.108-0.505O.560-0.0481.5802.3393.1634.3404.6115.5503.2203.9473.1103.8912.9633.6404.2232.6884.8504.4216.1247.2098.2497.9207.9628.5569.1578.2388.8529.0337.98710.52610.65211.52812.78813.96614.27515.31915.33614.24913.56312.40412.00412.70213.83112.831	1.001.000.500.50O.50O.50O.500.501.001.001.001.001.OO1.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.OO1.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	40.0340.0939.3538.6739.6837.9240.6232.6939.9940.0539.1537.8137.3636.6336.5835.4634.3534.6334.7835.8334.8632.8932.5530.4429.4028.6129.2330.3729.3628.2528.0227.7828.2827.6327.7828.3727.8928.0228.0728.0929.2325.2427.9327.0828.5429.1228.5526.9226.2727.4924.5125.9223.9220.8122.7724.1530.89	CCCCOOOOCONCCCONCCCCCCONCCCCCCONCCCONCCCCCCONCCCCNCCCCCCC

原子	1683	O	TRP A	105	18.354	18.759	13.253	1.00	29.86	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	168416861688169116941697169917001703170617071708171017121714171817221723172417261728173117341735173617371738173917411743174617491752175417551758176117621763176517671770177317761779178317841785178717891792179517961797180018011802	NCACBCGCDNECZNH1NH2CONCACBCG1CG2CONCACBCGCDOE1OE2CONCACBCGCDNECZNH1NH2CONCACBCGCDCENZCONCACBCGCDOE1NE2CON	ARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AVAL AVAL AVAL AVAL AVAL AVAL AVAL AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALEU A	106106106106106106106106106106106107107107107107107107108108108108108108108108108109109109109109109109109109109109110110110110110110110110110111111111111111111111111111112	20.15519.62520.44419.79320.64120.11120.43621.28819.93019.65020.69318.48118.28318.16416.70819.05117.11116.20917.20616.15416.65516.85317.31516.44318.53414.94515.09313.75812.48511.35410.2129.2109.4879.85410.06310.03312.23911.79412.53212.31512.62811.38511.62010.28710.43013.13312.78614.21815.09916.57417.02716.64016.85416.03614.78415.44213.770	17.72516.39715.50714.16613.21111.85210.90511.1849.68315.85715.85515.40314.96616.18916.49916.04213.96513.90013.13112.19111.20511.80310.78110.26010.49112.99014.03912.48913.20612.24012.83011.73511.1389.8658.9679.49313.79114.91913.03113.53112.45111.72910.2319.4508.27214.78315.57114.97716.13015.70614.81915.40716.59614.58917.38918.41617.323	12.29412.32011.40611.16710.41310.4959.6368.6609.75013.75414.44614.18915.54516.43816.81917.65415.69914.88316.74217.10118.15319.55420.59721.32220.67817.59818.21617.27317.40517.06016.28915.84814.51814.26315.23512.99818.78718.91819.82921.18422.24022.76922.97323.01423.89821.45422.34320.70220.92920.77221.89423.24823.50124.10420.10320.28419.239	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	32.5534.3134.6034.6132.9832.5531.9932.6730.9636.5137.2538.7839.8439.8441.1240.8441.1339.1143.9645.6046.4849.2750.7353.2452.1546.2046.1147.1847.9248.5751.8356.9960.0661.8362.8661.8247.5647.6147.6948.1548.8751.1054.1955.1956.2747.5548.1846.4145.8445.9246.3349.7250.2952.1544.5443.9942.92	NCCCCNCNNCONCCCCCONCCCCOOCONCCCCNCNNCONCCCCCNCONCCCCONCON

原子	1804	CA	LEU A	112	13.448	18.432	18.322	1.00	41.76	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	180618091811181518191820182118231825182818311834183718411842184318451847185018511852185518561857185918611863186618701874187518761878188018821885188918931894189518971899190119031907190819091911191319151919192319241925192719291931	CBCGCD1CD2CONCACBCGCDCENZCONCACBCGOD1ND2CONCACBCG1CD1CG2CONCACBCG1CD1CG2CONCACBOG1CG2CONCACBCG1CG2CONCACBCG1	LEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AASN AASN AASN AASN AASN AASN AASN AASN AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL A	112112112112112112113113113113113113113113113114114114114114114114114115115115115115115115115116116116116116116116116117117117117117117117118118118118118118118119119119119	12.27512.62611.37213.47913.11513.45012.43911.99211.17010.2969.7839.3388.94013.15713.20114.10415.26116.10015.40614.75215.54016.13316.67216.21517.03317.25918.11419.56917.94416.46417.22315.14114.52713.00712.60911.15012.36214.95115.15215.10415.47815.41014.07015.76916.88917.18217.76419.12419.89621.25420.08119.13519.92418.26518.32717.59217.622	18.05017.16516.61117.94219.72720.82119.58720.70520.17021.19920.65921.81921.48621.53622.74720.89421.60620.69520.37221.24219.13522.20123.26921.51321.91120.71719.66620.13021.16423.07723.83923.23324.44224.31123.32822.92925.65725.65226.72825.49426.63026.25325.91127.45127.08328.25826.10526.30924.94325.17024.24726.94527.81726.51027.02026.10826.666	17.41716.22915.54415.24119.02018.54720.14820.95422.14622.87324.23125.11526.52821.43721.22322.10722.64723.52824.83425.41525.29621.57721.77020.44619.30818.33619.03519.28917.04618.55817.99118.56818.01017.96316.89116.92317.67618.81618.27520.11320.94622.43822.79523.31420.61320.57920.42319.91519.75619.04321.11718.54318.27917.65416.29415.32813.931	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	41.5239.9639.0438.2641.4541.2041.3941.1041.8343.9547.4750.4252.8340.2740.2140.1840.1440.5341.3740.9738.8139.7440.1339.5439.9540.0240.1039.6939.8339.3039.2738.5037.0436.6937.2139.0138.7236.0436.6535.3235.4635.7138.0735.6634.9334.8535.5334.9334.7734.5333.1534.1834.2934.3234.5234.3634.98	CCCCCONCCCCCNCONCCCONCONCCCCCCONCCCCCCONCCOCCONCCCCCONCCC

原子	1935	CG2	VAL A	119	18.239	24.755	15.314	1.00	34.90	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	193919401941194319451947195019541958195919601962196419671970197319761980198119821984198619891990199119921994199619992001200220032005200720102012201620202021202220242026202920322033203420352036203720392041204320462050205420552056	CONCACBCG1CD1CG2CONCACBCGCDCENZCONCACBSGCONCACBOGCONCACBCGCD1CD2CONCACBCGCDOE1OE2CONCACBCG1CD1CG2CON	VAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ACYS ACYS ACYS ACYS ACYS ACYS ASER ASER ASER ASER ASER ASER ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE AHIS A	119119120120120120120120120120121121121121121121121121121122122122122122122123123123123123123124124124124124124124124125125125125125125125125125126126126126126126126126127	17.79018.16616.92916.32715.03913.86812.64414.71017.35017.44118.08919.10419.72820.75620.19921.11521.84620.14920.59020.53221.42321.59122.88520.91521.64019.67019.00617.49917.23019.13719.41718.89318.88218.05416.59916.24315.64020.31820.57021.26822.66923.59623.46724.63625.67324.54223.09423.89122.52622.82822.24723.03122.28022.28222.31122.97221.140	28.44229.26728.76230.08430.13229.48529.16931.57231.08432.20930.68631.55930.88931.68732.40933.55733.28631.85833.01030.81630.94429.59929.64331.97932.86831.83632.79032.48431.27234.24635.14034.50435.87636.05635.55135.11836.59536.37537.55035.50435.90934.90734.89734.21233.94633.92236.20137.10435.51035.81334.73533.42532.20935.22437.21137.94837.581	16.28415.44117.23417.22918.08817.33718.21018.43617.73617.24618.74819.30620.52721.23222.42022.84724.10518.22918.07817.48216.36315.65614.40415.39815.03414.97014.07914.00813.33814.52513.71515.80216.26217.54017.56418.93817.10016.44716.26716.76816.70717.41718.95519.67419.00720.90115.24415.00714.26312.86411.89111.99511.49410.46212.49211.74813.010	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	34.9035.6835.4336.0436.3336.7237.5736.4135.7836.2435.4636.0235.9137.8041.0443.1145.0636.2337.0135.5834.7334.7430.8835.7835.6037.2038.5138.9638.9539.7139.9840.5741.4641.7740.5438.9740.5342.5743.0143.7444.8145.3646.4149.2255.1048.1945.3945.6946.4347.5447.2047.0146.4445.8849.4649.2851.31	CONCCCCCCONCCCCCNCONCCSCONCCOCONCCCCCCONCCCCOOCONCCCCCCON

原子	2058	CA	HIS A	127	20.594	38.919	12.765	1.00	52.87	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	206020632064206620682070207220732074207620792080208120832085208820902094209820992100210221042107210821102112211421162118211921202122212421272130213121322133213421352137213921412143214721482149215121532156215921602161216421652166	CBCGND1CE1NE2CD2CONCACONCACBCGCD1CD2CONCACBCGCD1CE1CZCE2CD2CONCACBCGCDOE1OE2CONCACBOG1CG2CONCACBCGCDOE1NE2CON	HIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AGLY AGLY AGLY AGLY ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATHR ATHR ATHR ATHR ATHR ATHR ATHR AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLU A	127127127127127127127127128128128128129129129129129129129129130130130130130130130130130130130131131131131131131131131131132132132132132132132133133133133133133133133133134	19.13718.22218.29117.37416.72717.24021.42021.64021.91822.82424.23125.03724.54825.78226.16526.33226.33527.60525.54126.42924.31023.88923.25424.16723.90024.76425.92926.21525.34522.96521.94023.35722.73522.72821.32821.16822.12820.06223.50523.00424.73025.61126.64927.67825.99826.33527.43825.70426.22925.81826.92327.77628.90027.25625.78824.87826.448	38.98938.30738.50837.77537.08837.40340.01141.06339.74440.65940.82541.58140.10440.34839.14137.79636.65837.81241.53042.33141.61042.60641.86940.81739.45738.49938.89540.24541.19543.65544.02544.12345.28245.12845.08344.04443.82143.46146.53747.31646.70747.80648.22847.23648.31847.39746.83847.66247.21145.75244.87644.23144.67243.17848.07548.89647.868	13.19212.23210.87110.26811.18912.42713.43112.84614.62415.30114.71915.26513.64412.87912.01712.72211.70113.55411.96611.72311.48010.5209.3428.7678.9448.4367.7697.6128.10811.14510.56312.33612.99014.53815.17416.29117.07016.39912.54211.71513.05812.62913.76013.92215.16011.33111.38310.1768.8708.6208.0509.1269.3859.7427.6707.7966.518	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	52.9052.6253.4252.7954.1453.1854.4555.2256.5458.7560.4660.6262.8464.4664.0763.6462.4963.7666.2266.2268.9071.2570.9970.6569.5568.5968.4268.2968.7473.8774.1076.9179.3879.6380.2880.8480.2879.8581.4381.3883.9085.8386.1286.5286.2987.3087.4038.8489.9089.9990.5191.3392.1690.9990.7291.1791.43	CCNCNCCONCCONCCCCCCONCCCCCCCCCONCCCCOOCONCCOCCONCCCCONCON

原子	2168	CA	GLU A	134	26.153	48.540	5.232	1.00	91.76	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	217021732176217721782179218021812183218521872190219421982199220022022204220722102213221522162219222222232224222622282230223422382239224022422244224722502253225622602261226222642266226822712275227922802281228322862287228822902292	CBCGCDOE1OE2CONCACBCG1CD1CG2CONCACBCGCDNECZNH1NH2CONCACBCG1CG2CONCACBCGCDCENZCONCACBCG1CD1CG2ONCAONCACB	GLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY ALEU ALEU ALEU A	134134134134134134134141141141141141141141141142142142142142142142142142142142143143143143143143143144144144144144144144144144145145145145145145145145146146146146147147147	24.70723.73223.87824.18423.67526.53425.79022.23021.69722.68223.24024.77322.01421.45922.19820.44220.14419.14119.47419.46018.92517.63616.70517.27419.67019.58119.39518.92819.87821.34219.51317.50817.06216.79715.51414.39814.41113.36013.27012.51315.71616.36815.14315.33916.21017.58318.37516.35714.02013.19113.84412.78713.31014.28412.63012.88313.102	48.22349.38450.01251.23349.28550.04050.93446.10144.80844.11545.10545.16542.97343.89543.97343.03042.07842.69444.12944.27045.55045.93045.15347.10940.67040.38439.79338.44737.39537.88037.08738.25738.94237.34836.80636.93338.18038.05639.32339.07735.32034.61534.84333.46333.39233.97734.26631.95632.77533.29731.60830.68329.37428.81228.91727.64727.890	4.7384.4723.0853.0052.0795.2195.6353.9193.4682.4881.4541.4631.7844.6835.6884.5965.6806.6917.2148.7439.2359.1768.6209.6705.1973.9916.1655.8846.5186.4637.9606.3637.2805.6996.1765.1214.2083.0742.1560.8426.4965.7327.5978.0459.3239.04210.2519.7878.3189.0747.6998.0618.6718.1919.72410.39811.888	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	92.0393.0293.9193.2894.1091.8391.8166.0865.5265.8067.0568.1965.4164.6664.8363.1761.7962.3964.8768.1770.5172.6974.0073.2659.4458.1756.9154.8855.2355.7555.6552.8352.3851.0049.6249.7951.1752.5753.6252.2847.5948.2444.9843.0542.6742.5242.6440.5941.9541.4040.5540.2239.2637.7138.5638.3038.19	CCCOOCONCCCCCCONCCCCNCNNCONCCCCCONCCCCCNCONCCCCCCONCCONCC

原子	2295	CG	LEU A	147	14.060	29.011	12.270	1.00	38.71	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	229723012305230623072309231123152316231723192321232523262327232923322333233423362338234123422344234623482350235123522354235623582361236523692370237123732375237823802381238223842386238923922393239723982399240124032406240824122416	CD1CD2CONCACBONCACBCONCACONCACBCGND1CE1NE2CD2CONCACBCG1CD1CG2CONCACBOGCONCACBCGSDCECONCACBCGCD1CD2C	LEU ALEU ALEU ALEU AALA AALA AALA AALA AALA AALA AALA AALA AALA AALA AGLY AGLY AGLY AGLY AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AILE AILE AILE AILE AILE AILE AILE AILE ASER ASER ASER ASER ASER ASER AMET AMET AMET AMET AMET AMET AMET AMET ALEU ALEU ALEU ALEU ALEU ALEU ALEU A	147147147147148148148148149149149149149150150150150151151151151151151151151151151152152152152152152152152153153153153153153154154154154154154154154155155155155155155155	14.24115.40111.72610.58112.03411.02810.85611.54512.72210.66310.99910.85910.0978.95910.6099.84310.55711.7779.76610.2839.1588.3038.8257.8496.7176.97710.99710.56712.10012.98814.21013.72314.76215.09213.47513.80713.47814.05413.01811.78715.20915.22716.19517.32618.61519.84221.05522.39017.35717.11117.63017.71716.67516.71316.03916.07119.107	29.06128.82626.65727.03825.37724.33423.97323.15323.12622.20921.04721.38919.87920.07118.66317.47416.48816.40515.72014.63813.69013.21412.56112.30412.77013.35215.22116.25714.55314.91915.76817.01317.73516.22113.65212.66013.67012.58011.96211.86213.10614.23712.28212.69612.55412.62511.57812.55111.80410.61812.37711.59812.09511.40510.04012.28111.780	13.76011.59810.20610.10610.1399.9988.58210.78611.13011.11211.94513.39711.58811.17811.70811.40110.53110.5019.7958.9728.5289.66410.76511.62011.1169.9007.7807.2687.3926.2686.7427.4488.0995.5595.5856.2324.2613.4942.5683.2402.6912.2972.4691.6762.4711.6002.2561.9270.4700.561-0.677-1.888-2.883-4.236-4.148-5.333-2.444	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	38.1940.0738.1838.6838.2137.4737.4937.7938.3237.3036.7536.9736.5437.2336.5335.5235.9636.0036.6437.0737.6441.4545.3146.7247.3044.2436.0936.4534.8433.5033.0130.3429.2933.6133.6532.9633.7334.4334.4136.8033.8934.3234.4735.0535.8938.1346.7646.9734.2734.8833.5633.2533.2236.1137.4237.9132.30	CCCONCCCONCCCONCCONCCCNCNCCONCCCCCCONCCOCONCCCSCCONCCCCCC

原子	2417	O	LEU A	155	19.538	12.909	-2.609	1.00	32.27	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	241824202422242424282432243324342436243824412442244424462448245024522453245424562459246024612463246524682469247024712472247324752477248024832484248524862487248824902492249424962500250125022504250625092510251225142516251825192520	NCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACONCACBCGOD1OD2CONCACBCGCDOE1OE2CONCACBOG1CG2CONCACBCGND1CE1NE2CD2CON	VAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLY AGLY AGLY AGLY AASP AASP AASP AASP AASP AASP AASP AASP AG即AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATHR ATHR ATHR ATHR ATHR ATHR ATHR AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ASER A	156156156156156156156157157157157157157157157157157157158158158158159159159159159159159159160160160160160160160160160161161161161161161161162162162162162162162162162162163	19.79621.04022.11123.39222.41820.83920.28721.27121.14419.85019.78520.29420.27019.71919.19919.23722.37923.16822.57423.68024.16823.59225.29225.82325.92026.67327.68126.33727.16427.39528.02229.32229.87829.03828.99230.04527.87330.37831.30030.27731.17731.74330.74132.76730.58231.33829.26028.65327.97728.90530.13230.73829.95028.80127.62326.94627.499	10.67410.6689.8989.76410.61110.0558.97210.76010.21810.72312.19112.81714.18214.95414.32712.95810.52211.3469.79510.0068.7257.6658.8077.6477.9399.2309.5319.9997.2687.5256.6536.1495.1743.9023.0022.7962.5017.2176.9698.3599.4709.9889.9479.04210.63811.43010.75611.94912.81613.30013.86714.16913.81613.26611.59910.60812.433	-2.704-3.423-2.660-3.511-1.388-4.809-4.946-5.853-7.209-7.862-7.977-9.094-9.208-8.176-7.037-6.946-8.025-7.636-9.114-10.023-10.663-10.549-11.330-12.011-13.511-13.818-13.152-14.737-11.397-10.215-12.208-11.799-12.859-13.067-11.825-11.145-11.528-11.540-10.769-12.209-11.967-13.276-14.300-13.799-11.166-10.658-11.048-10.448-11.511-12.580-12.305-13.437-14.436-13.927-9.433-9.578-8.413	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	31.6831.8131.8832.3732.1032.3731.8733.0833.5033.7533.3032.3734.8235.4935.4735.6633.2733.9733.9434.2135.0935.8136.1736.6236.4036.9330.8338.9437.6637.6838.9640.2641.3246.4151.8653.2556.4339.1839.7737.5836.8236.8638.8738.3435.8336.5633.9232.6133.0636.4741.4242.1041.6840.5830.3630.2928.50	NCCCCCONCCCCCCCCCONCCONCCCOOCONCCCCOOCONCCOCCONCCCNCNCCON

原子	2522	CA	SER A	163	26.473	12.280	-7.399	1.00	27.45	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	252425272529253025312533253525382539254125432545254725482549255125532556255725592561256325652567256825692571257325762578258225862587258825902592259425982602260326042606260826102613261726212622262326252628262926302632263426372640	CBOGCONCACBND1CE1NE2CD2CONCACBCGCD1CE1CZCE2CD2CONCACBCGCD1CD2CONCACBCG1CG2CONCACBCG1CD1CG2CONCACONCACBCGCD	SER ASER ASER ASER AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY AGLN AGLN AGLN AGLN AGLN A	163163163163164164164164164164164164164164165165165165165165165165165165165166166166166166166166166167167167167167167167168168168168168168168168169169169169170170170170170	27.01727.63825.92626.61224.67423.98123.11223.89324.39025.07525.04024.30023.08322.72922.76421.80522.48822.94222.15622.55923.71824.52324.14820.83721.13819.67218.64817.49217.62516.69817.22718.00217.93617.42816.42716.75817.94617.04614.99014.76014.04912.69512.56213.50413.15511.09311.70012.03910.4559.3748.8789.3147.9987.1375.8384.7064.193	11.54010.35313.63014.61113.63814.82915.42115.90817.19317.32116.16615.27114.37013.20715.26414.95514.68715.93316.53617.70618.28617.68016.51716.10417.21715.81116.79416.68516.94316.06318.34516.36615.18617.32116.99817.62416.90319.06017.33018.31416.49416.35414.93414.74315.53514.56916.41116.08316.77116.59017.84118.92817.68218.79018.26919.31919.958	-6.189-6.618-6.988-7.036-6.566-6.125-7.253-8.423-8.506-9.622-10.265-9.540-4.990-4.938-4.060-3.001-1.644-0.950-0.0030.6090.229-0.693-1.276-2.863-3.243-2.321-2.031-3.022-4.498-5.287-4.682-0.758-0.494-0.0310.9812.3332.9492.2070.513-0.1950.9640.425-0.214-1.413-2.578-0.6141.5772.7051.2892.2492.9022.5883.8794.2904.9485.1343.825	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	26.6725.1027.4126.6428.1629.1430.0529.6230.9030.2030.2130.5329.4529.7829.7729.8529.2826.4024.7322.6920.3922.9924.6230.7131.8832.1433.3434.3737.0539.5741.0633.2832.2334.5935.4335.1234.4835.0136.7936.5638.3439.2540.0241.6043.6940.3639.2538.6139.5639.7239.7639.7640.5740.8641.0843.3847.12	COCONCCCNCNCCONCCCCCCCCCONCCCCCCONCCCCCONCCCCCCONCCONCCCC

原子	2641	OE1	GLN A	170	3.870	19.259	2.841	1.00	50.11	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	264226452646264726492651265526562657265926612663266726712672267326752677268026812682268326842685268726892692269326942695269626972699270127032707271127122713271527172720272327262728272927322735273627372739274127442746275027542755	NE2CONCACBCONCACBCG1CG2CONCACBCGOD1OD2CONCACBCGOD1OD2CONCACBCG1CG2CONCACBCGCDNECZNH1NH2CONCACBCGCD1CD2CO	GLN AGLN AGLN AALA AALA AALA AALA AALA AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AVAL AVAL AVAL AVAL AVAL AVAL AVAL AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU A	170170170171171171171171172172172172172172172173173173173173173173173174174174174174174174174175175175175175175175176176176176176176176176176176176177177177177177177177177	4.1217.8677.5438.8579.71110.63810.51610.80410.86011.58812.25812.81313.37510.72511.1539.5308.5727.2697.5148.5236.7748.2588.3337.9517.7527.4856.1655.2315.9748.9098.66810.15811.26312.61713.30313.54011.32211.65110.92810.82910.70010.85512.27813.21814.08114.15714.8829.6429.8168.4417.2386.0705.7184.4505.5597.4937.249	21.29619.79520.99519.34520.31619.62721.15922.34220.57021.32620.42921.24519.64522.35023.48321.94322.85222.10820.87320.83219.87624.00725.14523.67924.65323.94823.16323.49422.18725.63926.80825.19826.10125.35424.87426.21327.22328.35126.89227.85827.12828.03228.57927.51527.58428.66526.54528.80630.02728.24029.03228.11826.93126.21327.35430.06031.255	3.8195.1505.1145.9196.6167.5955.6095.8544.4723.4702.4521.2993.1342.7672.5882.3521.6961.3420.492-0.2260.4762.6302.2483.8814.9536.3016.3285.5467.0945.1565.4915.0185.3715.6344.3636.4704.3324.6563.0992.0160.677-0.534-0.752-1.159-2.183-2.964-2.4372.2122.2882.2892.5592.9552.0512.5570.6013.6703.492	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	47.4140.6940.0840.6740.6341.1040.5440.0340.4641.5341.2041.0841.5742.3142.5743.6944.7944.6643.0543.7543.3445.8847.1147.3348.0948.4250.0354.4049.9248.3948.6048.4648.3147.5446.4946.9549.9648.5652.4454.6755.4659.3564.2068.2371.0671.6172.5755.1954.9356.1456.8756.8356.1555.7457.3957.6057.68	NCONCCCONCCCCCONCCCOOCONCCCOOCONCCCCCONCCCCNCNNCONCCCCCCO

原子	2756	N	ALA A	178	8.028	29.577	4.788	1.00	58.80	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	275827602764276527662768277027732776277727782781278227832785278727902791279227952796279727992801280428072808281228132814281628182822282328242826282828312834283528362839284028412843284528482851285228562857285828602862286528662867	CACBCONCACBCDOE1NE2CONCACBCGOD1ND2CONCACBCGSDCECONCACBCONCACBCGCDOE1NE2CONCACBCGSDCECONCACBCGOD1ND2	ALA AALA AALA AALA AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AASN AASN AASN AASN AASN AASN AASN AASN AMET AMET AMET AMET AMET AMET AMET AMET AALA AALA AALA AALA AALA AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AMET AMET AMET AMET AMET AMET AMET AMET AASN AASN AASN AASN AASN AASN A	178178178178179179179179179179179179179180180180180180180180180181181181181181181181181182182182182182183183183183183183183183183184184184184184184184184185185185185185185	8.3618.9409.3239.19110.29711.27812.42213.53313.45613.79113.00710.67210.76110.0739.4519.0858.8937.9859.7428.2627.9157.6636.7376.1345.0544.4704.3427.4516.9858.5629.42110.7539.7279.70110.03810.5149.6048.0927.2247.2856.39711.95712.46412.63914.02114.58115.04416.74517.67114.09613.21615.14615.43415.44516.66317.54116.714	30.38929.51331.52532.61831.26532.28431.64032.62032.97134.10232.01833.49434.62533.26134.35933.92832.42631.85031.78835.12136.21234.57035.32834.44633.53032.43430.90736.45337.59036.09737.02236.33238.33438.42039.34740.63441.79841.47241.98843.16641.11240.79639.93141.86942.03943.42143.56542.93944.57841.85142.30241.16740.98142.33942.50543.34241.709	5.9627.0395.6646.2114.8064.4273.6273.1651.6821.2950.8523.6614.1432.4891.7040.2640.1160.715-0.6912.3661.9083.4294.3025.3994.9146.2085.2405.0185.0195.6626.4116.7495.7054.4786.5035.9926.4596.6025.4515.0874.9006.4847.1956.1076.5546.1964.7334.3863.8798.0558.7938.4969.91210.65411.59011.33812.669	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	59.9459.7061.3161.3563.2064.9765.3266.4467.4269.9467.1966.0366.2467.4068.6268.7269.0871.1268.2069.2869.9069.8170.0469.6769.8069.5368.6170.6771.0571.0771.3771.5671.5671.7071.8972.3272.4873.1674.0475.6573.2272.0772.2471.7671.7472.6576.1783.4082.0870.3070.5068.4467.1267.7170.1274.0671.52	CCCONCCCCONCONCCCONCONCCCSCCONCCCONCCCCONCONCCCSCCONCCCON

原子	2870	C	ASN A	185	14.507	39.996	10.623	1.00	64.96	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	287128722874287628792880288128822883288428862888289028942898289929002902290429062909291329172918291929212923292629282932293629372938294029422945294729482949295029522955295829612962296329652967297029712972297529762977297929812984	ONCACBCGOD1OD2CONCACBCG1CG2CONCACBCG1CD1CG2CONCACBCGCD1CD2CONCACBOGCONCACBCGCDCONCACBCGOD1ND2CONCACBSG	ASN AASP AASP AASP AASP AASP AASP AASP AASP AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ASER ASER ASER ASER ASER ASER APR0 APRO APR0 APRO APRO APR0 APRO AASN AASN AASN AASN AASN AASN AASN AASN ACYS ACYS ACYS ACYS A	185186186186186186186186186187187187187187187187188188188188188188188188189189189189189189189189190190190190190190191191191191191191191192192192192192192192192193193193193	14.66713.56312.61011.24010.37010.7779.24413.14714.02812.59512.79213.59513.89714.86811.40410.75210.9519.6528.9258.8658.1137.5179.74010.4259.0198.8158.5349.3288.76410.7947.6366.5897.7956.71O7.2497.5875.7006.0024.5093.4602.3032.5554.0493.9123.7364.5074.9255.3055.3435.9304.7316.0806.1486.9918.0739.07910.405	39.76739.39538.46538.46639.68640.54539.86037.03136.64636.26734.83034.43832.94535.24234.18934.27433.54432.84832.98934.44435.35132.44631.35930.60130.94229.50929.22629.97329.66229.59929.00729.63727.85927.20326.04224.99826.66726.61526.27125.89625.45626.16326.16924.76524.83723.74122.54421.43420.07119.12419.95122.81722.26323.68124.09824.94025.660	11.8209.90310.5309.82210.17911.0009.66710.5739.78911.51011.61612.90112.91713.03111.70112.73610.63510.6819.3248.8789.8289.40311.05310.38012.09512.36513.82614.87916.24914.80011.57911.57610.92610.2079.40410.28711.22912.39610.79011.73510.8149.4839.38412.66413.89512.06912.80411.81712.46311.91113.64913.76514.84513.36614.24813.45014.398	1.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.OO1.001.001.001.001.OO1.OO1.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	64.3462.7461.4761.5562.2662.7963.9359.4559.4257.0055.2255.2855.2255.2653.2452.4151.6351.0850.8551.5652.6151.9249.8449.6448.9147.7947.3046.4445.9945.7247.6949.0847.1045.8545.4145.2345.3644.4845.3545.2945.5345.4645.4545.0045.1844.8044.3744.3545.7448.1946.4343.6243.0743.3643.6243.6942.01	ONCCCO0CONCCCCC0NCCCCCCONCCCCCCONCCOCONCCCCCONCCC0NCONCCS

原子	2985	C	CYS A	193	7.486	24.890	15.409	1.00	44.54	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	298629872989299129942995299729993000300130033005300730093010301130133015301830213022302330263027302830303032303530373041304530463047304930513054305530563057305930613064306530663067306830693071307330763079308230843085308830913092	ONCACBCGCD1NE1CE2CD2CE3CZ3CH2CZ2CONCACBCGCDOE1NE2CONCACBCGCD1CD2CONCACBSGCONCACBCGOD1OD2CONCACBCGCDNECZNH1NH2CO	CYS ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ACYS ACYS ACYS ACYS ACYS ACYS AASP AASP AASP AASP AASP AASP AASP AASP AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG A	193194194194194194194194194194194194194194194195195195195195195195195195196196196196196196196196197197197197197197198198198198198198198198199199199199199199199199199199199	7.8546.5595.7814.8103.8072.4521.8502.8124.0595.2195.1013.8422.6875.0595.0814.4903.7363.0411.5600.7240.2480.5474.6614.2745.8946.8587.7157.0928.1276.5177.8238.6277.7708.7659.0237.7928.3747.2529.3079.15010.46210.30511.1459.3928.7109.5487.4026.7015.2174.9023.5153.2422.0660.9901.9596.9206.715	24.70225.78226.44527.45927.97727.98128.53428.90528.57028.85629.45429.77629.51125.41725.53824.38123.37622.40622.00423.08222.84324.26122.61622.32922.32521.51020.69219.73919.38418.46422.28421.67223.60724.38525.70926.96924.64424.34325.21625.43825.22225.36524.81426.00026.86427.77427.02228.30428.04027.31826.70326.13426.16326.74525.60629.14330.359	16.56715.09516.14115.51316.45816.28917.39418.30117.74318.47919.73720.26019.55417.05318.27016.45717.19616.20616.46617.19218.31716.55318.16519.29017.72618.46917.48716.46215.44517.06719.37920.05419.39920.13119.42819.79721.58421.98822.34623.77824.53326.06126.80126.63023.96023.95124.16324.16723.96222.66822.60421.28020.64721.20519.43225.44125.454	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	43.6945.8247.7348.3251.3452.3754.7854.1753.9055.1855.5357.2555.7647.7047.1548.1749.2549.9652.4955.9356.5757.0949.6249.7650.0649.4249.8849.8248.4649.9149.1849.1549.4349.8149.3646.0051.2952.0652.3953.8953.9055.5957.4556.4955.0155.2756.3557.3857.1656.9557.0157.4359.3359.4058.8758.9458.98	ONCCCCNCCCCCCCONCCCCONCONCCCCCCONCCSCONCCCOOCONCCCCNCNNCO

原子	3093	N	SER A	200	7.358	28.500	26.512	1.00	60.66	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	309530973100310231033104310631083111311431153119312031213123312531273130313431383139314031423144314731503151315231533154315531573159316131643168317231733174317631783181318431853186318731883189319131933196319831993200320232043206	CACBOGCONCACBCGSDCECONCACBCG1CD1CG2CONCACBCGCDOE1OE2CONCACBCG1CD1CG2CONCACBCGCDOE1OE2CONCACBOGCONCACBCG1	SER ASER ASER ASER ASER AMET AMET AMET AMET AMET AMET AMET AMET AILE AILE AILE AILE AILE AILE AILE AILE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ASER ASFR ASER ASER ASER ASER AVAL AVAL AVAL AVAL A	200200200200200201201201201201201201201202202202202202202202202203203203203203203203203203204204204204204204204204205205205205205205205205205206206206206206206207207207207	7.7707.9569.3139.0429.4489.66710.95311.85812.35213.85114.46010.82611.6959.7859.81110.2519.4329.45711.7118.5247.4888.6207.5287.7657.7036.5385.4276.7477.4678.4306.3406.0915.7184.4043.2356.8595.0014.7344.4023.2913.7394.1054.8035.0745.0842.6993.3991.4210.684-0.814-1.2691.1981.8800.8691.1822.2232.638	29.23528.27527.88930.02530.92629.69530.27729.21228.09928.43029.89031.45332.29931.50332.44331.72130.46630.06431.32933.21232.62234.53935.44036.85436.98836.22936.19635.66735.52035.94935.08835.17033.77333.24933.22232.79836.20337.07736.11036.96438.42538.85140.19740.69840.75336.47135.87336.77136.21236.50736.20036.74037.77136.00836.39035.40735.867	27.69528.89229.08927.37528.12426.25025.88325.22426.14627.12826.42924.93224.92324.10722.98621.71021.47220.03721.77922.70022.39422.78522.44523.00224.52625.15324.54226.25720.95720.32720.40318.96718.39318.99518.03418.63718.66719.48717.48117.07816.93515.51515.47814.35816.56815.75914.93715.54214.41314.55315.86213.07913.02912.01410.6369.9908.589	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	62.0162.1462.5963.1563.6664.3065.1065.5366.1767.7568.3665.2364.7966.3567.5367.5467.4968.1167.5368.9369.1770.5271.4671.5171.9272.2970.3971.3772.5372.4074.0675.3775.4575.6675.4575.8976.4476.6077.6778.6078.8779.5680.7081.5181.0779.1479.1879.6680.0080.1480.5880.1980.0880.5380.9180.9780.92	CCOCONCCCSCCONCCCCCCONCCCCOOCONCCCCCCONCCCCOOCONCCOCONCCC

原子	3210	CG2	VAL A	207	3.457	35.266	10.866	1.00	80.88	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	32143215321632173219322232253228322932303232323432373238323932403241324232443246324932523253325432573258325932613263326632693272327432753278328132823283328S3287329132923293329S3297329933033307330833093311331333163319332233253329	CONCACBCGCDONCACBCGOD1OD2CONCACBCGCD0E1NE2CONCACBCGCDNECZNH1NH2CONCACBC0NCACBCG1CG2CONCACBCGCDCENZC	VAL AVAL APRO APRO APRO APRO APRO APR0 APRO AASP AASP AASP AASP AASP AASP AASP AASP AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AALA AALA AALA AALA AALA AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS A	207207208208208208208208208209209209209209209209209210210210210210210210210210211211211211211211211211211211211212212212212212213213213213213213213214214214214214214214214	-0.130-O.890-0.395-1.572-1.146-0.2130.409-1.965-1.196-3.144-3.734-4.101-5.036-4.538-6.280-2.831-2.878-2.031-0.9350.352O.514O.7961.0290.782-O.762-0.730-0.649-0.476-O.912-2.382-3.094-3.263-2.399-1.271-2.671O.9641.2091.9043.2814.1683.3362.4714.3704.5534.4093.1415.5915.9006.7946.0187.2206.8767.8947.4878.3078.0467.810	36.42335.44637.54137.67838.79339.66538.78036.42135.98535.86034.73635.18836.39637.53836.30133.49832.70333.33332.38233.10033.27631.97031.97630.85531.75332.45630.42729.69128.23728.08926.87425.79624.79624.70423.87229.76529.53730.09730.33830.55131.55232.42931.60132.67632.14731.31731.31833.39132.90634.55835.36636.74637.86439.16240.37340.75935.438	9.8009.8029.1078.2367.2648.0589.1137.4426.5777.7416.9815.5535.5435.6475.4506.9365.9987.9827.9687.5476.0265.2914.0806.0189.34010.3499.37210.63110.45310.05610.6589.6809.46710.1748.53511.16812.35910.28610.6939.47811.59611.53712.42513.38714.81814.94915.22613.20012.51613.81113.73313.15313.39612.67513.12714.54215.149	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.01.001.001.001.001.00	81.1281.1781.1681.1381.2781.2981.3281.0281.3180.7080.2280.4981.3581.8781.8879.4079.3478.4577.4277.3577.1576.1375.1875.1876.5176.6875.4574.4874.5574.9175.0775.2576.0574.6975.7573.1772.4B71.8270.8170.9069.9670.0968.7467.3167.0667.4267.1966.3266.3364.9764.0863.9164.2464.4364.2564.8563.56	CONCCCCCONCCCOOCONCCCCONCONCCCCNCNNC0NCCCONCCCCC0NCCCCCNC

原子	3330	O	LYS A	214	7.083	35.604	16.127	1.00	63.37	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	333133333335333733413345334633473349335133543355335633593360336133633365336833693371337333753377337933803381338333853388339033943398339934003402340434073410341334163420342134223423342534283431343434353436343734393442344534483449	NCACBCG1CG2ONCACBCGOD1ND2CONCACBCGCD1CE1CZCE2CD2CONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCGCDCONCACBCGCDCO	VAL AVAL AVAL AVAL AVAL AVAL AVAL AASN AASN AASN AASN AASN AASN AASN AASN APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO A	215215215215215215215216216216216216216216216217217217217217217217217217217217218218218218218218218218219219219219219219219219219220220220220220220220221221221221221221221	9.1229.79011.08411.72510.80110.13310.6619.83710.2689.1408.1268.4726.86911.49712.53511.37512.44212.24811.60812.29311.71210.4369.74410.33912.49411.50813.67013.80415.19715.18014.86316.50513.55814.21212.56012.29810.85010.64811.24711.58612.56212.56011.63513.82814.15715.69116.08315.03213.63613.61613.19412.81112.30012.02412.97013.96415.138	35.25835.31534.47034.52733.02336.77337.47837.21838.52539.23839.83340.66539.38838.42839.00337.72037.67338.76340.05740.89842.09242.46241.63840.44336.30535.58035.95634.87034.21532.71332.47432.07035.46936.42934.92635.20335.71236.71738.10138.91540.05333.88733.12233.60532.37732.35233.78034.40332.46933.57331.35031.30029.85629.35330.06231.56731.393	15.26016.54816.56617.94116.18216.83915.96918.06018.51319.25018.30517.45618.41819.39619.09320.50421.48922.57422.06421.16120.68321.11522.02722.50122.15122.19622.65123.60723.52723.22621.78223.57824.99525.40025.68027.08627.25728.38828.06029.33629.12627.86128.16528.15928.87928.85828.72027.86930.29830.84730.86632.28032.46931.12830.19333.26232.920	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	62.8862.2461.7561.5360.7762.5562.1462.8363.2463.2763.3361.8762.9164.0564.4064.9565.8266.6169.5172.3473.0973.9073.7471.9065.5965.4365.6865.6565.6865.1964.9565.6665.6665.0666.1066.4766.8568.3570.6671.2771.8466.1965.9565.9665.7865.7665.7165.5865.6765.3155.7565.6465.8666.2765.9265.3464.89	NCCCCCONCCCONCONCCCCCCCCCONCCCCCCONCCCCCNCONCCCCCONCCCCCO

原子	3450	N	PRO A	222	13.587	31.958	34.485	1.00	65.23	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	345134533456345934623463346434663468347134723473347634773478348034823485348634883490349234943496349734983500350235053506350735103511351235143516351935203522352435263528353035313532353435363539354035413542354335443546354835513554	CACBCGCDCONCACBCGOD1ND2CONCACBCGCD1CE1CZCE2CD2CONCACBCGOD1ND2CONCACBCGCD1CE1CZCE2CD2CONCACBCGOD1OD2CONCACBCGCD	PRO APRO APRO APRO APRO APRO AASN AASN AASN AASN AASN AASN AASN AASN APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASN AASN AASN AASN AASN AASN AASN AASN APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP AGLU AGLU AGLU AGLU AGLU A	222222222222222222223223223223223223223223224224224224224224224224224224224225225225225225225225225226226226226226226226226226226226227227227227227227227227228228228228228	14.49913.60512.32412.18815.78716.81415.73116.88116.50616.32715.19617.44417.46417.75517.64618.23017.45117.59017.14317.26817.84518.29618.17719.69920.07320.53421.89022.92524.29524.79424.90621.97621.92622.06422.03422.01921.87020.63120.48521.60522.85922.99123.19923.04324.35525.55026.79827.07027.89526.50125.41925.92224.74624.49524.04925.21024.787	32.27632.03332.55632.14431.48032.07230.17229.33328.27228.88029.07629.26028.73927.53129.62229.24329.86629.13427.82727.15327.79729.09229.75429.65230.77828.70429.00328.34828.96329.63928.75528.44627.23029.31828.82029.91729.35428.93628.34528.11828.49329.09427.85826.89328.13327.33528.01729.35030.10429.73125.97025.02525.85024.52224.63224.84325.262	35.58436.80436.37834.92835.74536.10035.53235.82736.86438.23538.69838.86434.56234.48933.58132.31731.18229.89529.77528.56927.46427.57928.78932.23032.55331.83031.38632.30032.14833.05630.99829.98229.79128.98727.62026.56225.20024.76023.53322.74223.20024.41527.33226.58427.92427.69228.25227.59528.16126.53028.28027.69229.42230.00931.47132.44833.852	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	64.8765.0264.8165.2364.5564.4364.1664.0364.3966.4568.8566.6462.9662.7961.1659.9859.7659.3158.4558.1057.3357.5159.6458.7858.9857.1555.6755.7656.5357.7655.2653.8952.8552.2150.7350.4149.4948.9949.1648.3448.5348.3249.8349.2548.8448.4649.1551.2355.8053.1346.9746.9645.6945.1345.9047.8149.77	CCCCCONCCCONCONCCCCCCCCCONCCCONCONCCCCCCCCCONCCCOOCONCCCC

原子	3555	OE1	GLU A	228	25.700	25.416	34.696	1.00	51.27	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	355635573558355935613563356635673569357135733575357735783579358135833586358735893591359335953597359835993601360336053607361136123613361536173620362336263629363336343635363736393642364336443645364736493651365336573658365936613663	OE2CONCACBCGCD1CE1CZCE2CD2CONCACBCGCD1CE1CZCE2CD2CONCACBOG1CG2CONCACBCGCDCENZCONCACBSGCONCACBOG1CG2CONCACB	GLU AGLU AGLU APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ATHR ATHR ATHR ATHR ATHR ATHR ATHR ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ACYS ACYS ACYS ACYS ACYS ACYS ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR A	228228228229229229229229229229229229229229230230230230230230230230230230230231231231231231231231232232232232232232232232232233233233233233233234234234234234234234235235235	23.56623.44623.58222.39521.36620.33419.28218.26217.30117.36318.35219.29721.99821.76222.80923.58824.51725.16026.41726.98626.29825.03624.46024.40824.36725.13725.94226.62727.42627.63425.10425.51523.93023.03321.78622.06420.74620.98719.75922.62022.54922.32721.96021.53419.91423.05222.70524.33925.47726.82627.16226.79425.58026.20924.91224.79123.965	25.42223.78222.57524.51223.99925.10724.75723.88823.56524.09124.97825.30323.48422.35024.31223.90725.03724.73124.16323.81024.01624.56624.89722.62921.71222.55821.38821.55222.72820.36920.14019.07520.26619.13619.49119.59219.55819.54018.98718.72617.54919.71919.47520.77721.26218.79418.03619.05618.45219.06318.71320.56516.91016.24716.34814.89914.555	34.11829.19628.92228.81127.90227.67226.69527.04526.15624.87424.52825.42926.56526.14825.92224.74724.26922.95222.89621.70520.53220.56321.77424.94824.13226.05726.37527.69027.66627.91226.44725.99527.03227.12227.95429.44430.25631.77932.47425.72725.42424.89623.50922.85723.42422.65821.76222.95822.21022.57423.91622.57222.34321.51223.34423.47024.676	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	51.9243.8544.1541.7540.2439.7339.0239.8738.9241.4737.3137.9239.1539.4737.5736.6036.0135.2634.7334.4134.4833.5634.7136.6336.1537.4637.0637.1535.2237.7237.8638.6337.8838.5139.1643.8951.0153.2156.7036.8336.3435.5434.9735.0134.5234.1632.6834.3835.1934.6336.8134.5735.2634.7635.1135.2734.96	OCONCCCCCCCCCONCCCCCCCCCONCCOCCONCCCCCNCONCCSCONCCOCCONCC

原子	3665	OG1	THR A	235	24.745	14.819	25.835	1.00	36.97	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	366736713672367336753677368036813683368536873689369136923693369536973700370337043708370937103712371437173718372037223724372637273728373037323735373637383740374137433745374737483749375137533756375737593761376237643766376837693770	CG2CONCACBCGCD1CE1CZCE2CD2CONCACBCGSDCECONCACBCGND1CE1NE2CD2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1CE1CZOHCE2CD2CON	THR ATHR ATHR APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AMET AMET AMET AMET AMET AMET AMET AMET AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APRO A	235235235236236236236236236236236236236236237237237237237237237237238238238238238238238238238238239239239239239239239239239239239239240240240240240240240240240240240240241	23.70024.16824.50823.25622.53621.07020.54120.38119.94419.67019.85820.29523.11622.51824.30025.01825.46324.32424.95623.36526.23227.26226.12527.02926.49727.21028.42328.81127.89526.89928.45429.41628.58029.86929.79629.27428.14327.68428.34927.90829.46429.94330.32331.13429.82230.16729.25529.37728.98129.11729.73029.84430.17129.98831.60631.95232.466	13.03914.26513.12215.00914.57514.96214.65815.65215.34413.99712.99813.33515.10114.92915.69916.21617.64518.58720.16221.05015.33915.40514.53913.42912.60911.31511.0089.8159.34410.26713.89713.26415.00215.42515.43414.14414.13312.94311.76410.58411.76612.95916.78817.44417.19418.47018.79920.24221.22122.57022.95724.30721.98920.63718.44017.60919.318	24.75222.24721.90721.61020.40720.55521.91522.84924.13324.50023.58322.28619.10018.06319.16418.00318.26818.51018.92819.12717.74418.46716.70016.46715.29515.06615.64315.22314.39714.27016.19416.63615.45914.94313.44312.82912.02411.45911.69211.12112.45313.00015.46014.83116.62217.22518.40718.77817.89518.20419.37819.65220.27519.96917.68318.50017.164	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	36.0835.2535.8834.7434.2734.5235.7337.5742.1542.5041.2941.0633.2433.7532.2331.2830.9231.0235.4535.1831.0331.7830.1830.4330.3131.4434.8834.2230.6830.1430.2630.2529.6628.6228.4929.1630.1632.6030.6835.8430.5927.6628.4129.1928.5228.2227.6325.7024.7726.2924.7524.8423.8425.1829.601.099.82	CCONCCCCCCCCCONCCCSCCONCCCNCNCCONCCCCCCOCCCONCCCCCCOCCCON

原子	3771	CA	PRO A	241	33.893	19.209	17.486	1.00	30.40	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	377337763779378237833784378637883791379337943795379738003801380238043806380938123813381438153816381738193821382438253827382938313833383438353837383938423845384838513855385638573859386138643865386638693870387138733875387838803884	CBCGCDCONCACBOGCONCACONCACBCGCDOE1OE2CONCACBCGND1CE1NE2CD2ONCACBCGCDCENZCONCACBCGOD1ND2CONCACBCGCD1CD2	PRO APRO APRO APRO APRO ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AASN AASN AASN AASN AASN AASN AASN AASN ALEU ALEU ALEU ALEU ALEU ALEU A	241241241241241242242242242242242243243243243244244244244244244244244244245245245245245245245245245245246246246246246246246246246247247247247247247247247248248248248248248	34.55433.56632.19334.13133.70134.81434.97533.87732.62536.32137.05636.61737.86739.08539.13940.06841.25642.41342.10143.36944.37143.36940.94741.75139.77039.32738.84439.91339.71040.82141.73841.19738.25437.68938.00437.06936.92438.13537.98536.52135.76137.42436.64438.63439.16940.68941.46341.28042.35438.86339.04138.40238.02738.34739.79139.88240.752	20.35920.72520.43619.35720.35918.37418.32217.43917.63417.75117.17717.88217.38218.07419.29117.29217.87216.86515.54714.73215.34113.48218.55719.33518.29418.96717.91816.96515.60415.02215.95617.17920.05120.50220.49021.60421.85822.51822.67722.78424.06322.94023.87923.03024.26824.30723.10721.92223.43924.45225.54923.36623.29021.88121.37519.97722.265	16.67215.66016.25118.97519.56219.56821.02321.65821.01721.42920.60122.71423.25322.67322.59722.25321.67421.56520.89720.59320.10220.82920.34119.87619.77418.57617.57717.15117.07116.66116.47316.77218.75817.77519.99320.26421.78522.47224.01624.52424.15419.59619.62619.06518.52918.79118.15118.51217.21517.02716.45816.41915.01814.49914.60814.09513.841	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	29.7829.5829.1531.2930.9532.1733.3033.4532.0734.2734.3634.5835.6835.8135.4736.7438.2639.4544.0153.2959.0055.2137.4337.4336.1036.1636.1337.2438.3338.8838.1437.1535.7334.7136.4837.6238.1040.5143.7546.4048.4337.4437.1237.3637.4738.4341.0341.5543.9335.8036.8033.2331.7931.9931.9031.9331.49	CCCCONCCOCONCCONCCCCOOCONCCCNCNCCONCCCCCNCONCCCONCONCCCCC

原子	3888	C	LEU A	248	36.540		23.579	14.803	1.00	29.65	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	388938903892389438973899390339073908390939113913391639193922392439253928393139323933393539373940394239463950395139523954395639603961396239643966396939703971397239743976397839803984398539863988399039933995399940034004400540074009	ONCACBCGCD1CD2CONCACBCGCDNECZNH1NH2CONCACBCGCD1CD2CONCACBCONCACBSGCONCACBOG1CG2CONCACBCGCD1CD2CONCACB	LEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA ACYS ACYS ACYS ACYS ACYS ACYS ATHR ATHR ATHR ATHR ATHR ATHR ATHR ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS A	248249249249249249249249249250250250250250250250250250250250251251251251251251251251252252252252252253253253253253253254254254254254254254255255255255255255255255256256256	35.72536.19734.79634.70135.09335.32734.01834.08532.86734.82334.27934.12233.16132.91332.14732.06932.70931.35435.19636.43634.58935.31434.37834.99335.83033.88835.95537.04535.27735.81534.81237.17437.83537.59038.96039.13938.15639.99241.18439.55440.45340.07038.79239.88640.42340.99239.70439.54438.69237.24036.77737.02840.89941.71041.11042.38643.007		23.35224.09024.35625.45326.85727.70827.47023.13323.03922.26021.01621.04022.06821.96020.77120.26820.82319.18319.84519.96218.71917.48516.37815.04115.16313.96517.06416.49717.33117.06117.46817.72217.32818.70819.15920.44721.84518.10418.31016.99115.99915.57114.91516.75514.74913.75014.80913.69114.12013.72713.89212.28613.25314.08911.94111.39710.451	15.68513.63213.28512.20612.65211.47713.52812.75512.89312.05011.55910.0679.5738.0907.7466.5445.5336.33311.90311.79712.29512.48812.91713.26514.51613.46711.19311.21010.0768.7327.6568.4457.5119.2309.1699.9779.3589.6389.42910.23810.75412.19712.17713.1269.87810.2408.7667.8656.6686.5635.1247.0367.3296.9657.2286.7767.819	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	29.7128.0726.8926.5326.1726.4728.3825.9225.6224.4524.1122.7922.3320.0018.4819.9720.6722.4825.8526.3325.5526.4627.2329.8330.0932.2826.3027.0225.3324.4324.1824.2324.6623.2024.6824.8331.6225.2625.3324.3525.6425.7925.3226.9126.2726.3426.9627.8528.0830.8833.2130.8428.2327.4828.8229.2329.93	ONCCCCCCONCCCCNCNNCONCCCCCCONCCCONCCSCONCCOCCONCCCCCCONCC

原子	4012	CG	LYS A	256	43.030	11.029	9.215	1.00	31.97	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	401540184021402540264027402840304033403640394040404140434045404840494050405140524053405440564059406240654066406740694071407440774078407940804081408240844086408940914095409941004101410341054108411141124113411441154116411841204123	CDCENZCONCACBCGCDCONCACBCGOD1OD2CONCACBCGCDCONCACBCGCDOE1OE2CONCACBCGCD1CD2CONCACBCGCDOE1OE2CONCACBCG	LYS ALYS ALYS ALYS ALYS APRO APRO APRO APRO APRO APRO APRO AASP AASP AASP AASP AASP AASP AASP AASP APRO APRO APRO APRO APRO APRO APRO AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AMET AMET AMET AMET A	256256256256256257257257257257257257258258258258258258258258259259259259259259259260260260260260260260260260261261261261261261261261262262262262262262262262262263263263263	44.39644.65144.77742.19041.08643.25943.27044.76945.29544.56142.68343.01841.83341.05739.89138.97239.01338.16540.56239.63141.24640.92641.78342.78142.46139.46838.96638.84237.48837.27136.26035.72634.52936.50936.46435.50936.65635.86736.25235.47233.94335.85536.04735.08037.28437.55239.07139.41140.85641.44241.41136.94036.33337.06336.47136.69537.873	11.56212.99313.87810.66410.15410.6289.9519.87211.08811.2608.5737.8658.2317.0077.1455.9395.1185.7576.9507.6486.2316.2435.1194.8435.4736.0206.5835.1724.7423.5242.5311.6261.7870.7625.8436.0486.4807.6278.0609.2569.0549.5298.7919.3649.08210.16610.41511.57612.01812.32212.0649.88910.7738.6708.3516.8846.578	9.6209.26510.4605.4865.2164.6863.4003.0713.6474.9473.5004.4142.5392.5003.4623.4482.5274.3561.0830.7640.205-1.239-1.812-0.8050.487-1.633-2.599-0.868-1.053-0.133-0.6540.4430.8080.930-0.716-1.4460.4310.8382.2512.7772.6194.247-0.149-0.600-0.529-1.472-1.625-2.541-2.479-3.545-1.379-2.834-3.434-3.329-4.640-5.022-5.937	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	35.7635.3033.9229.1330.0328.9629.0629.0628.7628.7229.3630.2730.1729.7230.0129.6732.9930.5528.8128.9728.6228.9228.1029.1128.1028.6128.6929.2130.9532.2438.5247.0452.6949.5629.3728.9528.5228.5227.9729.2228.3228.4127.9227.3927.1827.0726.2323.9523.1024.1622.1527.6528.4628.0428.7229.3632.32	CCNCONCCCCCONCCCOOCONCCCCCONCCCCOOCONCCCCCCONCCCCOOCONCCC

原子	4126	SD	MET A	263	38.189	4.740	-6.008	1.00	42.46	S
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	412741314132413341354137414041424143414441464148415141534157416141624163416541674170417341744175417841794180418241844187419041934196420042014202420442064209421042124214421542174219422142224223422542274229423342374238423942414243	CECONCACBOGCONCACBCGCD1CD2CONCACBCGCDOE1NE2CONCACBCGCDCENZCONCACBCGCD1CE1CZOHCE2CD2CONCACBCG1CG2CONCACB	MET AMET AMET ASER ASER ASER ASER ASER ASER ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AVAL AVAL AVAL AVAL AVAL AVAL AVAL AMET AMET AMET A	263263263264264264264264264265265265265265265265265266266266266266266266266266267267267267267267267267267268268268268268268268268268268268268269269269269269269269270270270	36.47634.95834.39634.32132.89932.39231.83732.53831.57733.36033.14333.98733.65334.56532.17533.42832.75934.43734.82336.15936.11437.29837.12438.47533.72733.70332.84131.81531.06631.87331.11131.41032.75930.78130.02830.71029.78729.40028.67529.35928.66127.27326.53726.60327.29330.33529.61031.60432.35433.68434.29733.46932.77133.25132.64733.04532.780	4.0908.6069.0828.2728.5327.6688.49210.05610.56410.79512.22212.74112.10612.71112.28613.10514.09512.78013.62613.14211.84811.72011.86611.47013.69814.63912.71412.66111.33510.0778.8607.6497.12613.76414.00714.38115.49815.57014.37613.22712.16512.28511.29213.40414.43416.84917.81116.89518.12818.19619.55817.95718.20517.22119.37519.51920.929	-6.225-4.609-5.561-3.502-3.322-2.150-1.149-3.140-3.738-2.390-2.202-1.0260.3111.3290.699-3.401-3.619-4.181-5.292-5.867-6.730-7.682-8.888-7.164-6.355-7.166-6.389-7.395-7.338-7.715-7.209-8.004-7.718-7.212-8.108-6.039-5.808-4.374-3.787-3.381-2.768-2.573-2.018-2.958-3.555-6.205-6.161-6.618-6.910-6.106-6.240-4.656-8.388-8.917-9.031-10.460-11.001	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	41.0427.6726.7426.8327.5327.2430.2527.4627.2826.5026.5826.7326.7126.2726.0125.9226.8026.3325.4926.2927.8632.5741.6730.1525.9027.3524.8725.7727.0731.8736.6140.1941.8125.1923.7825.5325.3824.6825.1625.6126.5025.3626.3122.5425.0725.5724.8228.0529.8929.7830.5630.4430.7031.4632.1933.0033.10	CCONCCOCONCCCCCCONCCCCONCONCCCCCNCONCCCCCCOCCCONCCCCCONCC

原子	4246	CG	MET A	270	31.365	21.458	-10.866	1.00	35.28	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	424942504254425542564258426042634266426742684269427042714273427542784280428142824284428642884291429542994300430143034305430843104314431843194320432243244327433043334336434043414342434443464349435243534354435743584359436143634365	SDCECONCACBCGCDOE1OE2CONCACBOGCONCACBCG1CD1CG2CONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCGCDOE1NE2CONCACBCG1	MET AMET AMET AMET AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ASER ASER ASER ASER ASER ASER AILE AILE AILE AILE AILE AILE AILE AILE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AILE AILE AILE AILE A	270270270270271271271271271271271271271272272272272272272273273273273273273273273274274274274274274274274275275275275275275275275275276276276276276276276276276277277277277	31.02032.54334.52435.30634.92736.31836.45337.00737.16638.21836.24137.28038.45036.75537.53736.79635.56937.88438.87037.03137.26435.97234.85634.90236.23738.29639.07438.21739.18938.79037.51237.05437.75140.53441.51440.57841.82641.56942.72942.46543.68143.40142.51743.68541.74742.20541.06941.53340.38440.15239.64742.67543.74541.87342.20341.01539.903	22.93623.75719.29119.50318.93818.55117.73518.50817.65117.76716.86319.77519.65720.94522.17223.31623.65322.58823.24222.23622.51422.31523.27924.65322.48821.55621.93320.29619.29917.91917.33716.18016.89619.67419.35720.32720.73421.38121.19321.94021.82722.41421.71821.58622.68223.66224.60325.84926.65626.63327.35722.95023.23322.01621.20720.27121.087	-11.964-11.947-10.646-9.717-11.863-12.110-13.424-14.631-15.894-16.568-16.225-12.035-11.611-12.382-12.359-13.081-12.450-10.947-10.735-9.998-8.569-7.768-8.235-7.624-6.314-7.976-7.114-8.389-8.022-8.555-7.930-8.776-6.534-8.566-7.956-9.713-10.320-11.686-12.676-13.976-14.921-16.253-9.392-9.105-8.905-7.927-7.572-6.879-6.335-5.102-7.221-6.659-6.151-6.174-5.032-4.747-4.051	0.500.501.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	29.7226.1933.1633.3433.5033.7534.9740.1446.0248.9552.5832.0930.8530.3329.3329.5530.4227.9527.1227.3427.3127.5329.9431.6827.9826.1325.7225.4125.1625.6826.0727.1026.6424.6124.2225.2826.4627.8930.2433.8835.6534.3526.0824.3726.2626.4926.6130.2632.6437.0723.7625.7227.1224.2223.8023.2824.99	SCCONCCCCOOCONCCOCONCCCCCCONCCCCCCONCCCCCNCONCCCCONCONCCC

原子	4368	CD1	ILE A	277	38.508	20.434	-3.935	1.00	23.86	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	437243764377437843804382438543864387438843894390439243944397439843994402440344044406440844114414441744204424442544264428443044334436443744384441444244434445444744504452445644604461446244644466446944724473447444774478447944814484	CG2CONCACBCGOD1OD2CONCACBCGOD1ND2CONCACBCGCDCENZONCACBCGCDOE1NE2CONCACBCGCD1CD2CONCACBCGCDOE1NE2CONCAC	ILE AILE AILE AASP AASP AASP AASP AASP AASP AASP AASP AASN AASN AASN AASN AASN AASN AASN AASN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLY AGLY AGLY A	277277277278278278278278278278278279279279279279279279279280280280280280280280280280281281281281281281281281281282282282282282282282282283283283283283283283283283284284284	41.42743.49344.25743.73244.94944.71243.83743.89043.03646.16947.21946.01747.05348.24447.97948.55147.21247.52948.72846.58946.85146.38847.45146.97148.10648.26246.20246.27745.61045.07643.66242.69841.23840.55940.77445.18345.02645.47945.44545.76547.16647.42948.18744.10143.03144.17742.98943.29944.16043.46542.29244.20642.01640.83142.48141.61141.000	19.13320.44420.28219.94519.21018.24617.12716.76816.58720.06419.51821.37722.37122.13122.42821.77723.45922.34122.44422.15822.09720.74919.62118.22817.15016.60823.28723.44924.16825.36425.01126.11125.57725.59125.08226.45126.18127.67928.87330.11330.10031.21930.18229.08128.95029.43529.51729.78328.72427.35027.30726.23630.57930.44631.60232.70432.579	-3.882-5.222-4.294-6.424-6.692-7.816-7.397-6.205-8.175-6.989-7.303-6.833-7.064-6.181-4.751-3.899-4.467-8.461-8.704-9.362-10.797-11.369-11.132-11.585-11.360-9.881-11.494-12.697-10.711-11.264-11.769-12.157-12.168-11.120-13.327-10.178-8.997-10.596-9.724-10.581-11.231-12.220-10.169-8.961-9.575-7.652-6.768-5.284-4.510-4.302-3.941-4.517-7.215-6.972-7.915-8.296-9.659	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	23.4923.3723.2523.7524.1824.0923.7822.0223.4624.5124.3724.6825.0024.1624.5327.0319.0725.3225.4426.0127.4427.5630.2134.9238.1436.7427.6027.6728.3929.1729.3831.6737.5840.1735.9029.6929.6630.7231.3330.8331.5331.1832.2532.7230.6935.2937.8538.9643.6649.4454.3051.3738.5240.6538.5438.4838.25	CCONCCCOOCONCCCONCONCCCCCNCONCCCCONCONCCCCCCONCCCCONCONCC

原子	4485	O	GLY A	284	40.265	33.444	-10.121	1.00	38.65	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	448644884490449344944496449844994501450345054506450745094511451445164520452445254526452845304533453545364537453945414544454745484549455045514552455445564559456145654569457045714573457545784581458445864587459045934594459545964598	NCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1CD2CONCACBOGCONCACBCGCDOE1OE2CONCACBCGCD1CD2CONCACBCGCDNECZNH1NH2CONCACB	TYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ASER ASER ASER ASER ASER ASER AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG APRO APRO APRO A	285285285285285285285285285285285285286286286286286286286286287287287287287287288288288288288288288288288289289289289289289289289290290290290290290290290290290290291291291	41.29340.82641.59041.15541.72841.34440.37939.98139.81240.20539.31238.70238.71437.29336.97837.26537.03836.43436.38435.18636.94236.15236.71836.55136.09437.07534.90734.70534.95436.03636.03836.43335.66433.31432.33133.25732.05931.95931.59332.04930.06232.17032.97031.34031.48231.80732.58932.52732.98134.24335.20834.54930.13429.05230.16528.93629.215	31.48031.23029.99529.47429.97529.48628.48927.98827.96728.45530.98931.26730.45430.14228.88127.57226.43527.43131.29431.17332.40633.59734.38533.66034.51535.17234.60135.34834.41534.94434.26133.06734.91435.95835.35137.18337.71639.22039.64041.06139.48237.34937.93036.38835.61534.19633.40331.90331.17331.09531.72530.38435.60335.65135.56835.28735.857	-10.303-11.656-12.198-13.550-14.741-15.995-16.053-17.283-14.882-13.648-11.705-12.693-10.655-10.697-9.876-10.595-9.648-11.847-10.256-10.375-9.782-9.526-8.377-7.218-10.747-11.096-11.340-12.560-13.732-14.651-15.988-15.998-17.008-12.687-12.296-13.188-13.850-13.745-12.357-12.252-12.123-15.306-16.048-15.686-16.905-16.476-17.444-17.203-18.387-18.795-18.145-19.879-17.650-17.024-18.973-19.731-21.115	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	38.0938.7939.6243.2047.3347.0449.7354.6147.7244.8137.1537.3735.6535.0035.0034.0833.4433.6934.6834.6434.1633.5333.1531.4334.7234.9235.0235.2735.5839.9644.4546.6847.3234.2434.3434.1234.1133.3531.8633.3031.8035.2034.9636.1137.2037.7041.3643.9145.1647.4949.1648.7137.5537.7437.4236.7037.05	NCCCCCCOCCCONCCCCCCONCCOCONCCCCOOCONCCCCCCONCCCCNCNNCONCC

原子	4601	CG	PRO A	291	30.751	35.809	-21.249	1.00	37.91	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	460446074608460946114613461546194623462446254627462946314633463746384639464146434645464846524656465746584660466246644668467246734674467646784681468246844686468846904692469346944696469847004704470847094710471247144717471847194722	CDCONCACBCG1CG2CONCACBOG1CG2CONCACBCG1CD1CG2CONCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBCG1CG2CONCACBCGOD1ND2C	PRO APRO APRO AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATHR ATHR ATHR ATHR ATHR ATHR ATHR AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASN AASN AASN AASN AASN AASN AASN A	291291291292292292292292292292293293293293293293293294294294294294294294294295295295295295295295296296296296296296296296296296296297297297297297297297298298298298298298298	31.32328.64829.46627.46826.96227.15728.53426.17525.47424.78124.99523.57523.35723.77821.83623.10723.60422.21021.50420.91121.95923.12520.17220.34219.57020.21919.01619.37018.13919.96318.44519.02517.35516.79416.30916.75016.49616.90817.59217.83717.42015.66814.65515.86114.87315.53114.50716.25014.07114.64812.74711.87511.06910.26010.7159.02710.932	35.82033.78632.99833.43232.06031.38731.60831.92632.03233.02330.88030.60929.97030.89829.72629.68428.56530.19129.42130.36731.28830.54229.57128.68029.29827.38026.59525.47224.63726.05526.00925.10826.57226.16327.39427.44126.37926.43727.57528.64228.56325.19325.57923.91922.88021.58520.47221.75422.56322.30022.56122.27523.47523.23623.51922.75721.137	-19.850-19.799-20.283-19.298-19.309-17.920-17.410-16.907-19.677-19.545-20.125-20.262-21.605-22.599-21.915-19.133-18.995-18.296-17.301-16.242-15.617-14.888-15.142-17.998-18.765-17.730-18.039-18.970-19.275-20.224-16.751-16.184-16.254-14.978-14.217-12.779-11.918-10.578-10.117-10.988-12.279-15.250-15.818-14.906-15.172-15.598-15.669-16.944-13.923-12.903-14.021-12.905-12.512-11.254-10.154-11.417-13.232	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	37.9635.2633.3534.8934.9334.3833.8235.1434.6935.4034.5533.5033.5134.1833.5933.4334.1632.5631.8731.5730.2731.1031.3933.0733.2232.7332.6432.7033.3332.6531.9231.7031.6331.6631.7933.0436.6838.1938.2834.8235.0932.0131.8632.4132.9833.2533.1134.1133.5534.2933.8634.8234.9237.7742.2242.2635.54	CCONCCCCCONCCOCCONCCCCCCONCCCCCONCCCCCCCCCONCCCCCONCCCONC

原子	4723	O	ASN A	298	10.272	21.150	-14.271	1.00	35.32	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	472447264728473147334737474147424743474547474750475347544758475947604762476447674768477047724774477647784779478047824784478747904791479247934794479547974799480248034804480548064807480948114814481748184819482248234824482648284831	NCACBCGCD1CD2CONCACBCGSDCECONCACBCGCD1CE1CZCE2CD2CONCACBCGCDOE1OE2CONCACBCGOD1OD2CONCACBCGCDOE1NE2CONCACBCG	LEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AMET AMET AMET AMET AMET AMET AMET AMET APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AASP AASP AASP AASP AASP AASP AASP AASP AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AASP AASP AASP AASP A	299299299299299299299299300300300300300300300300301301301301301301301301301301301302302302302302302302302302303303303303303303303303304304304304304304304304304305305305305	10.89610.09110.98512.16413.04011.7369.0719.4267.7936.7545.7046.2725.1106.0236.1496.1555.6715.0936.0377.4578.3459.65610.0949.2127.9013.7533.4942.9041.6720.821-0.481-1.557-1.770-2.2071.9461.4392.7233.1952.6002.7903.2762.4724.7515.4375.2696.7096.8875.9726.7016.2467.8097.3948.5746.6387.1646.1095.545	20.15218.95517.72117.58916.30717.58318.96419.02518.89818.85719.89121.26922.55923.39717.48416.69117.18415.86115.04515.03416.02416.02715.03414.04814.04716.01317.05914.98214.97613.71513.78712.81611.77513.10915.15416.10014.23914.38213.29813.61514.70812.82114.41513.38415.63615.94617.41518.31019.18220.30518.67415.75716.11115.26214.89415.17316.599	-12.335-12.470-12.378-13.340-13.067-14.777-11.346-10.185-11.672-10.629-10.949-10.721-10.272-8.794-10.455-11.363-9.259-8.987-8.097-8.575-8.166-8.605-9.491-9.917-9.450-8.303-7.726-8.355-7.537-7.742-6.943-7.408-6.727-8.442-6.029-5.434-5.427-4.030-3.103-1.590-1.219-0.676-3.959-4.001-3.863-3.825-4.211-3.357-2.369-2.098-1.796-2.456-2.303-1.469-0.1550.9330.880	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	36.4237.3836.6135.7435.8034.8338.9839.0342.3144.5945.2749.5060.1860.0945.6144.7248.4950.8850.7449.3647.7748.0448.2247.9747.9953.3653.8556.5059.2159.6963.1267.5769.9070.5060.5360.6962.5263.8864.1165.8067.3869.0764.5964.9364.8465.5566.0169.0172.8074.8875.3564.8164.4463.9463.0763.2963.59	NCCCCCCONCCCSCCONCCCCCCCCCONCCCCOOCONCCCOOCONCCCCONCONCCC

原子	4832	OD1	ASP A	305	6.289	17.514	0.460	1.00	63.12	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	483348344835483648384840484348464849485248564857485848604862486648674868487048724875487848794880488148824883488548874890489348944895489648974898490049024904490749114915491649174919492249234924492549274930493349364937493849404942	OD2CONCACBCGCDCENZCONCACBCONCACBCGCDOE1OE2CONCACBCGCDOE1OE2CONCACBCG1CD1CG2CONCACONCACBCGCDCONCACB	ASP AASP AASP ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AALA AALA AALA AALA AALA AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY APRO APRO APRO APRO APRO APRO APRO AALA AALA AALA A	305305305306306306306306306306306306307307307307307308308308308308308308308308309309309309309309309309309310310310310310310310310311311311311312312312312312312312313313313	4.3787.5418.0687.2687.2586.0204.7883.7002.4261.6338.4718.3929.58010.83711.97510.79811.5689.8939.7808.8998.8557.9226.8078.3119.1819.5288.2477.6546.3025.1893.8003.5542.9458.5758.8359.0809.8199.76910.65110.6278.34811.26311.73311.96513.34713.75814.75513.06113.33812.34011.83412.02813.13113.87312.08811.78210.499	16.89213.40312.92112.69511.23210.74210.4799.8379.3968.36510.73210.49110.56210.17910.1948.8338.6437.9276.6155.6375.8617.0027.1277.7786.7586.0267.6817.9698.6617.7638.3218.6848.4158.8318.4769.94510.90012.31612.44913.84812.68010.44310.5359.9259.5168.8729.2807.8117.1716.0025.8217.1028.1098.0398.9179.92810.744	1.257-0.1050.905-1.206-1.268-2.032-1.189-2.074-1.309-2.072-2.007-3.211-1.295-1.931-0.914-2.702-3.642-2.328-2.973-2.161-0.645-0.209-0.7870.719-4.350-5.260-4.489-5.789-5.595-5.050-5.358-6.535-4.443-6.695-7.839-6.172-6.985-6.358-5.136-4.572-5.923-7.267-8.382-6.278-6.463-7.775-8.406-8.172-9.466-9.517-8.132-7.40210.662-11.63410.59511.623-11.219	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	63.2462.3062.5861.3160.4260.9263.3365.9666.3565.8258.7858.5056.9955.9455.7555.2554.8954.1153.4954.1155.6257.7359.4158.2752.2851.8551.3351.4452.2155.3359.8263.2861.7350.0350.6847.8946.0045.6545.6645.0145.8044.6845.4942.4340.4539.2238.1737.7136.7236.8036.8137.9335.3134.7634.5634.6434.66	OCONCCCCCNCONCCCONCCCCOOCONCCCCOOCONCCCCCCONCCONCCCCCONCC

原子	4946	C	ALA A	313	12.951	10.894	-11.824	1.00	33.85	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	494749484950495249544957496149654966496749694971497449774978497949824983498449864988499149924993499449954996499850005004500550065008501050135014501650185019502150235025502650275029503150345037503850425043504450465048505150525054	ONCACBCG1CD1CG2CONCACBCGCDOE1NE2CONCACBCGOD1OD2CONCACBCONCACBCGCD1CE1CZOHCE2CD2CONCACBCGSDCECONCACBCGND1CE1	ALA AILE AILE AILE AILE AILE AILE AILE AILE AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AASP AASP AASP AASP AASP AASP AASP AASP AALA AALA AALA AALA AALA ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AMET AMET AMET AMET AMET AMET AMET AMET AHIS AHIS AHIS AHIS AHIS AHIS A	313314314314314314314314314315315315315315315315315315316316316316316316316316317317317317317318318318318318318318318318318318318319319319319319319319319320320320320320320	13.32413.50014.61014.78013.53313.55616.01015.89016.63316.12117.28517.28018.33019.78520.63020.06817.22918.13116.10915.86214.52714.59613.58315.65315.97316.47915.52815.71114.84917.18117.70817.81819.24619.77821.25822.04023.43324.04125.40523.27021.88919.98120.79419.70820.50120.09620.45322.20122.83720.40421.42319.19919.03517.56617.41217.53717.375	11.20911.35012.30212.86113.66814.27013.72811.65412.27310.4069.6328.2597.2267.7007.3608.4649.4859.8878.9698.8838.1686.6916.1855.98010.21010.22311.30912.64213.70813.06913.57012.90613.10812.71112.64113.78813.74512.55612.44911.41811.46912.35112.92811.05810.2958.8267.9828.0966.80110.88810.92211.32511.96111.99512.40911.52412.170	-12.944-10.708-10.684-9.262-8.879-7.480-9.183-11.210-11.997-10.812-11.232-10.533-11.028-10.889-11.721-9.857-12.720-13.458-13.187-14.614-14.859-14.440-13.882-14.576-15.374-16.494-14.778-15.395-14.690-15.358-16.349-14.194-14.069-12.664-12.712-12.563-12.682-12.986-13.144-13.152-13.018-15.181-15.876-15.376-16.339-16.412-15.201-14.745-15.839-17.731-18.462-18.116-19.409-19.876-21.308-22.359-23.504	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	33.5833.6033.5533.4934.2035.1034.5333.2033.5832.7532.6833.0832.9933.1837.4528.0633.0332.6734.4635.3437.0143.0951.6148.3733.9633.3232.8733.0232.8732.9833.2432.7932.4832.6634.4137.8237.6138.4237.2139.2136.4232.0831.8831.7931.3531.3434.0037.6235.6531.5531.0230.7731.5031.9233.7336.9634.98	ONCCCCCCONCCCCONCONCCCOOCONCCCONCCCCCCOCCCONCCCSCCONCCCNC

原子	5056	NE2	HIS A	320	17.172	13.446	-23.236	1.00	32.49	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	505850605061506250645066506850715075507950805081508350855087508950935094509550975099510251045105510651085110511251165120512151225124512651295131513551395140514151435145514851515154515751615162516351655167516951725176518051815182	CD2CONCACBCG1CD1CG2CONCACBOG1CG2CONCACBOGCONCACBCG1CG2CONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCG1CD1CG2CON	HIS AHIS AHIS AILE AILE AILE AILE AILE AILE AILE AILE ATHR ATHR ATHR ATHR ATHR ATHR ATHR ASER ASER ASER ASER ASER ASER AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AILE AILE AILE AILE AILE AILE AILE AILE APHE A	320320320321321321321321321321321322322322322322322322323323323323323323324324324324324324324325325325325325325325325326326326326326326326326326327327327327327327327327328	17.20119.65420.32519.43220.01619.68618.20017.75220.51021.53222.16122.12823.56824.10025.39224.38824.11125.03123.50623.99623.62922.26123.66024.32822.61722.34520.93120.79019.94023.39223.80423.79624.74524.72323.43823.64823.06526.17526.99426.49127.88127.99229.36629.59230.94130.83628.40129.58427.47627.77126.43325.67324.25526.70228.49029.47827.995	13.62513.35613.70514.16115.47116.23416.57417.14217.55615.35915.98314.54514.45913.51413.97012.13614.17914.85913.27513.00711.58611.42514.04514.09214.83815.94816.49117.91415.59717.08117.69217.34218.39818.68619.16319.18220.51618.03518.91216.74816.31214.79514.21012.83412.24911.47616.70716.98316.76717.11217.14615.80615.87017.44018.47318.63919.428	-21.871-19.435-20.389-18.405-18.409-17.172-17.148-15.869-17.162-18.532-19.418-17.663-17.652-16.509-16.077-16.985-19.076-19.491-19.855-21.231-21.729-22.026-22.321-23.338-22.139-23.046-22.814-23.315-23.506-22.910-23.914-21.661-21.321-19.819-19.172-17.695-19.646-21.653-21.787-21.714-21.819-21.609-21.931-21.285-21.710-22.987-23.184-23.362-24.132-25.518-26.347-26.250-26.867-27.823-25.589-26.316-24.798	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	35.4431.7431.3032.6533.9434.1833.7133.4134.4435.7735.7536.7637.9437.5040.7937.8438.2439.1139.0839.9439.9540.0040.9641.5042.6544.0143.7145.2143.3045.4545.3046.8247.4246.7145.2244.9945.0849.0049.6350.7951.9652.2653.5854.7155.2256.4952.6952.4054.0255.2155.7857.0558.4056.3855.2154.9055.39	CCONCCCCCCONCCOCCONCCOCONCCCCCONCCCCCCONCCCCCNCONCCCCCCON

原子	5184	CA	PHE A	328	28.410	20.821	-24.885	1.00	55.09	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	51865189519051925194519651985200520152025204520652095212521352145217521852195221522452255226522852305233523652375238S24152425243524552475249525252S652605261526252645266526952705271527452755276527852805283528652895292529652975298	CBCGCD1CE1CZCE2CD2CONCACBCGCDOE1NE2CONCACONCACBCGCDOE1NE2CONCACBCG1CD1CG2CONCACBCGOD1ND2CONCACBCGCDCENZCON	PHE APHE APHE APHE APHE APHE APHE APHE APHE AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLY AGLY AGLY AGLY AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AILE AILE AILE AILE AILE AILE AILE AILE AASN AASN AASN AASN AASN AASN AASN AASN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL A	328328328328328328328328328329329329329329329329329329330330330330331331331331331331331331331332332332332332332332332333333333333333333333333334334334334334334334334334335	27.19126.56025.28524.69425.40226.70427.27428.99428.91629.57730.14631.35232.72433.14532.47334.22529.15329.58027.85126.88827.14827.62426.87527.06628.09329.55230.18731.10429.70125.78225.06025.53824.58223.97123.39522.94922.88925.30826.05825.06325.60325.42225.92327.09325.03425.02725.76623.72422.96622.66023.82124.25725.46126.56321.57920.99721.042	21.63621.13820.57520.09420.15320.69421.17521.36222.57320.47320.85621.81221.16720.41919.47020.86721.51122.09321.46721.93521.22320.10121.89521.35722.19822.09220.75720.31720.11221.48022.46520.51520.68819.32618.57217.14419.56121.35420.72122.63823.34724.86025.67525.62426.40422.90322.82022.63822.31823.54124.40124.18025.10524.38621.72621.96520.991	-25.295-26.58-26.40-27.3-28.28-28.946-27.757-23.602-23.341-22.797-21.502-21.707-21.503-22.741-23.146-23.374-20.520-19.504-20.804-19.829-18.519-18.524-17.411-16.074-15.301-15.714-15.354-16.039-14.292-15.288-15.406-14.419-13.342-12.888-14.067-13.766-11.899-12.186-11.486-11.987-10.848-11.039-9.848-9.492-9.219-9.517-8.557-9.464-8.248-7.375-6.911-5.431-5.109-4.472-8.549-9.589-7.582	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.OO1.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.00	55.5656.8158.3059.0259.4259.3457.7254.4454.3653.4952.8153.5455.7557.4358.3256.9550.9451.4648.2546.1944.0643.4342.4341.2641.4943.0045.3247.6245.9340.5339.9640.1939.8039.3940.2742.4939.7039.4339.2239.8940.0840.0940.6643.4840.2540.8241.9041.7742.8042.8546.3846.9846.1545.9943.1542.1643.96	CCCCCCCC0NCCCC0NCONCCONCCCCONCONCCCCCCONCCCONCONCCCCCNC0N

原子	5300	CA	VAL A	335	19.695	20.446	-7.644	1.00	44.82	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	530253045308531253135314531653185321532253245326532853305332533353345336533853415344534553495350535153535355535853595361536353655367536953705371537353755378537953805381538253835385538753905393539653995403540454055407541054115412	CBCG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBCGSDCECONCACBCGCD1CE1CZCE2CD2CONCACBCGOD1OD2CONCACBCGCDCENZCONCACON	VAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AMET AMET AMET AMET AMET AMET AMET AMET APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLY AGLY AGLY AGLY ACYS A	335335335335335336336336336336336336336336336336337337337337337337337337338338338338338338338338338338338339339339339339339339339340340340340340340340340340341341341341342	19.70718.33120.64619.05919.71117.80117.14517.69017.52816.39516.21717.15718.29518.47215.62215.11914.90513.44012.79513.07612.54710.73413.03713.66711.96311.54412.65312.20911.32310.94311.47512.37512.74210.1689.9879.2167.8147.5797.3967.9126.7347.5327.3767.4637.8416.8045.4745.2894.6893.8468.2007.4779.3799.95611.15611.73211.536	18.92318.44318.62220.72420.61921.12421.40722.71323.85224.65025.70125.93925.12724.09721.47321.85521.10221.26720.29818.85018.19718.43022.66623.27523.17124.56825.52626.58227.61128.60728.59327.57626.58824.88524.83225.24125.43726.86327.85327.60228.91124.35924.58823.16721.87620.82220.88219.68920.16221.40221.68321.06522.08921.39820.69921.13119.622	-7.988-8.360-9.143-6.281-5.279-6.232-4.953-4.388-5.305-5.231-6.104-7.070-7.179-6.298-5.080-6.114-4.020-3.939-2.947-3.202-4.794-4.738-3.527-2.660-4.138-3.915-4.415-5.412-5.038-5.949-7.246-7.624-6.702-4.511-5.744-3.632-4.032-4.515-3.356-2.231-3.500-5.089-6.296-4.517-5.101-4.724-5.471-6.456-7.756-7.613-6.561-7.330-6.933-8.046-7.531-6.567-8.176	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	44.5644.8844.6645.9046.4448.2549.5549.8250.4751.1051.3751.3851.2451.6351.1650.7954.1756.6556.4856.3859.1559.0058.9859.1562.2464.7265.4669.2372.9974.2275.2574.5772.2465.3665.8466.0566.3067.1269.1870.7571.9965.4865.5364.3562.9363.4465.2266.4867.3167.6660.0561.2556.0052.6348.7047.9945.04	CCCCONCCCCCCCCCONCCCSCCONCCCCCCCCCONCCCOOCONCCCCCNCONCCON

原子	5414	CA	CYS A	342	12.935	19.343	-8.238	1.00	42.76	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	541654195420542154225424542654295431543254335435543754405441544354455447544954515452545354555457546054625466547054715472547454765479548054 815482548454865488549254965497549855005502550555065508551055125514551655175518552055235524	CBSGCONCACBOGCONCACBCGCD1CE1CZCE2CD2CONCACBCGCD1CD2CONCACBSGCONCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACO	CYS ACYS ACYS ACYS ASER ASER ASER ASER ASER ASER APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ACYS ACYS ACYS ACYS ACYS ACYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLY AGLY AGLY AGLY A	342342342342343343343343343343344344344344344344344344344344344345345345345345345345345346346346346346346347347347347347347347348348348348348348348348348348348349349349349	13.16614.89613.53013.21314.36515.02114.87813.52316.50217.25116.89518.28518.40118.09516.81816.52617.50018.78819.08118.72618.13419.74520.34320.80121.27121.75922.31321.50922.52221.34722.39021.82020.83523.02422.37024.29225.07926.01826.70025.26525.87226.55525.74926.60825.78624.97123.74222.97723.44124.67325.43227.66127.35328.90630.08030.59731.048	17.89717.56720.28020.15021.23622.12623.56723.88621.77821.54521.70321.54520.57019.16618.79417.47216.50516.86518.20322.88223.38323.47524.68125.53426.96827.54427.08424.22123.77124.29123.94423.10921.74825.20026.25425.08326.24026.71628.03426.91925.90424.89126.73026.60626.63125.38825.22724.09223.10023.23524.37927.72328.85227.36528.21928.42429.522	-8.556-8.617-9.321-10.491-8.919-9.876-9.449-9.185-10.076-9.114-11.345-11.778-12.955-12.613-12.221-11.905-11.966-12.343-12.662-12.285-13.212-11.680-12.208-11.057-11.312-10.024-12.375-13.056-12.514-14.379-15.318-16.435-15.806-15.889-15.974-16.305-16.741-15.625-15.983-14.349-17.989-18.043-19.026-20.208-21.484-21.707-21.087-21.308-22.121-22.747-22.531-20.178-19.819-20.505-20.337-18.893-18.594	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	42.1542.3240.6639.3238.9838.3538.3139.4737.5337.9136.2334.7734.4234.3634.5335.0933.3435.2734.7733.2633.3432.1130.8431.1430.8229.7430.5130.7930.6330.0329.5429.2730.5030.3929.8930.9031.2930.5731.9929.6233.2333.7536.0737.9538.1437.4337.5935.6037.3538.4839.0640.2539.4943.9546.6049.5350.59	CSCONCCOCONCCCCCCCCCONCCCCCCONCCSCONCCCCCONCCCCCCCCCONCCO

原子		5525	N	PHE A	350	30.474	27.405	-18.018	1.00	51.56	N
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子		552755295532553355355537553955415543554455455547554955525553555455555556555755595561556455675568556955705571557255745576557955815585558955905591559355 955597559956035604560556075609561256135615561756195621562256235625562756315632	CACBCGCD1CE1CZCE2CD2CONCACBCGOD1OD2CONCACBCGCDOE1OE2CONCACBCGCD1CD2CONCACBOG1CG2CONCACBCGND1CE1NE2CD2CONCACBCO	PHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ATHR ATHR ATHR ATHR ATHR ATHR ATHR AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AALA AALA AALA AALA AALA A	350350350350350350350350350350357357357357357357357357358358358358358358358358358359359359359359359359359360360360360360360360361361361361361361361361361361362362362362362	31.15332.12733.58833.93935.28736.26635.92234.59230.21530.10328.70227.26526.93026.72225.78427.45026.46625.52126.86726.36826.92426.84627.48326.81828.64924.84024.26124.21922.81822.56123.30623.03622.84821.93220.92322.31221.62122.35622.89521.38021.56720.56722.65522.78424.24624.97224.38225.25426.39126.24022.04321.47422.05321.30821.48919.84219.143	27.24128.38528.05627.38827.06327.41328.07328.38626.84827.52928.51228.54827.58128.28929.14028.04128.18827.41428.78628.43929.43129.00330.03731.07829.82428.41427.51229.39529.72131.15132.18733.52132.20028.80728.33028.57727.57927.34028.57426.84526.24825.53925.91324.59724.25124.03923.44123.37723.90624.33024.51423.47225.61025.71327.10325.44824.682	-16.681-16.318-16.630-17.808-18.087-17.203-16.027-15.745-15.484-14.449-30.115-30.436-31.587-32.912-33.013-33.909-29.187-29.235-28.070-26.748-25.716-24.250-23.328-23.068-22.880-26.689-26.089-27.347-27.149-27.572-26.758-27.388-25.362-27.944-27.455-29.189-29.992-31.302-31.820-32.343-29.218-29.236-28.539-27.947-27.756-29.044-30.136-31.127-30.711-29.412-26.643-26.333-25.897-24.662-24.047-24.985-24.305	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	52.8653.5455.9158.6759.8558.2258.5056.8853.2852.7953.7354.3754.9657.9660.6360.5953.2653.4452.4251.6251.7851.1451.6550.5049.5850.8250.3449.7048.5047.9947.0148.2445.7548.0446.6447.8547.8647.8249.7148.7547.0747.3245.9845.0846.0147.7950.4350.4849.9849.2143.2343.4540.8639.7039.1238.5538.23	CCCCCCCCCONCCCOOCONCCCCOOCONCCCCCCONCCOCCONCCCNCNCCONCCCO

原子	5633	N	LEU A	363	19.404	26.052	-26.072	1.00	37.01	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	56355637564056425646565056515652565456565659S6625663S6645665566656675669567156745675567656775679568156855686568756895691569456975698570257035704570657085711571257135714571557165718572057225725572957335734573557375739574257435745	CACBCGCD1CD2CONCACBCGCDOE1OE2CONCACBSGCONCACBCONCACBCGSDCECONCACBCGOD1OD2CONCACBCG1CD1CG2CONCACBCGCD1CE1	LEU ALEU ALEU ALEU ALEU ALEU ALEU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ACYS ACYS ACYS ACYS ACYS ACYS AALA AALA AALA AALA AAIA AMET AMET AMET AMET AMET AMET AMET AMET AASP AASP AASP AASP AASP AASP AASP AASP AILE AILE AILE AILE AILE AILE AILE AILE APHE APHE APHE APHE APHE APHE A	36336336336336336336336436436436436436436436436436536536536536536536636636636636636736736736736736736736736836836836B368368368368369369369369369369369369370370370370370370	18.01417.72417.50517.21916.35817.60316.56718.42518.11619.06518.86420.00221.05519.84518.25217.53219.20819.32320.60822.11818.07417.54917.59216.40316.07515.23014.55715.00513.88013.85112.62011.14210.386213.98913.03115.18415.45116.91917.28618.21716.71915.13314.55315.51515.22916.01117.48618.32715.50613.74413.17913.13711.71911.629.8099.3037.951	26.00727.05028.47429.42128.55724.59924.13423.92222.57322.14222.87222.67222.09323.11721.55520.52521.78420.91721.19420.70821.10520.15222.32722.53B24.01221.76121.03621.87721.18721.46120.90921.58622.97319.70519.05719.18117.75617.52016.04615.71515.14817.25116.16818.04017.69118.58418.26719.34618.41017.84217.11518.84519.04120.28620.50921.21021.377	-26.448-27.528-27.024-28.217-26.035-26.874-26.470-27.653-28.115-29.221-30.518-31.484-31.109-32.625-27.012-27.023-26.094-24.927-24.118-24.995-24.059-23.551-23.905-23.100-23.009-23.693-23.002-24.990-25.611-27.117-27.838-27.094-28.130-25.369-24.996-25.584-25.483-25.822-25.883-26.647-25.229-24.079-23.901-23.078-21.686-20.717-20.774-20.210-19.328-21.412-20.611-22.033-21.913-22.668-22.555-21.501-21.369	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.OO1.001.001.001.001.001.OO1.001.OO1.001.001.001.001.OO1.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	36.3635.2333.6132.0232.6736.1836.3837.0037.7637.9540.4342.9047.5444.6638.5638.9038.4538.9939.4043.1838.2138.4237.6037.5637.5137.6537.9437.5937.6438.2840.9050.5348.9436.4536.1935.9335.1335.8137.6742.6038.8734.0732.8633.2233.1832.3633.2332.9530.4633.3633.2933.7334.3934.5634.3634.5836.71	CCCCCC0NCCCCOOCONCCSC0NCCCONCCCSCC0NCCCOOCONCCCCCCONCCCCC

原子	5747	CZ	PHE A	370	7.089	20.821	-22.300	1.00	36.97	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	574957515753575457555757575957625763576457655766576757695771577457755777577957815783578557865787578957 915794579557965797579958015804580658075808581058125815581858195820582358245825582758295831583558395840584158435845584858495851	CE2CD2CONCACBCGOD1OD2CONCACBCGCD1CE1CZCE2CD2CONCACBSGCONCACBOGCONCACBCGCDOE1NE2CONCACBCG1CG2CONCACBCGND1CE1	PHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ACYS ACYS ACYS ACYS ACYS ACYS ASER ASER ASER ASER ASER ASER AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AVAL AVAL AVAL AVAL AVAL AVAL AVAL AHIS AHIS AHIS AHIS AHIS AHIS A	370370370370371371371371371371371371372372372372372372372372372372372373373373373373373374374374374374374375375375375375375375375375376376376376376376376377377377377377377	7.5928.94010.94510.01111.33110.58110.98110.51611.1229.55210.7829.79912.02912.30113.78514.13414.49214.83814.80114.42314.10911.61810.95111.75811.20211.78013.5639.6609.0399.0527.5977.1687.4587.0505.9707.8097.4138.0348.0186.6285.6996.4717.8047.6338.3308.7749.99610.40211.1857.6236.8247.5826.4836.5785.5774.2233.594	20.09519.93917.83517.38217.32916.24616.03217.15417.39117.88114.98514.30414.68113.44113.21511.92610.7879.5869.52110.65311.84513.42812.45414.51714.56315.74715.52914.54314.00415.07615.05215.85617.22913.62313.34612.72111.32010.68511.51411.74611.95411.71210.4729.25211.08010.29810.91710.06311.05110.06110.9578.8278.3386.8016.2216.4805.854	-23.344-23.468-22.434-21.804-23.594-24.205-25.662-26.530-27.608-26.195-23.429-23.141-23.056-22.325-22.176-21.476-22.210-21.559-20.205-19.461-20.088-20.969-20.600-20.228-18.876-18.113-17.835-18.860-17.938-19.907-20.058-21.293-21.126-20.142-19.627-20.762-20.896-22.145-23.411-23.936-23.160-25.261-19.687-19.710-18.632-17.474-16.729-15.568-17.642-16.493-16.192-15.992-15.174-15.013-14.058-14.144-13.166	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	36.7836.2935.2433.9036.9338.6939.0442.6949.4545.3439.0839.7139.5339.7539.4941.6941.8641.1741.0943.5640.0639.9640.0840.4540.6440.2735.4242.2742.3043.8945.3945.0644.3546.7447.1448.3949.3449.9652.1356.5560.9259.7850.0350.2150.9851.8451.9252.2652.9852.5351.7853.5254.2854.9658.4060.4860.83	CCCONCCCOOCONCCCCCCCCCONCCSCONCCOCONCCCCONCONCCCCCONCCCNC

原子	5853	NE2	HIS A	377	4.487	5.190	-12.453	1.00	62.14	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	585558575858585958615863586658695872587558795880588158835885588758905894589858995900590259045907591059115912591559165917591959215923592559295930593159335935593759415945594659475949595159545956595759585960596259645967597159755976	CD2CONCACBCGCDCENZCONCACBCG1CD1CG2CONCACBCGCDOE1NE2CONCACBOG1CG2CONCACBCG1CG2CONCACBOGCONCACBCG1CD1CG2CO	HIS AHIS AHIS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AILE AILE AILE AILE AILE AILE AILE AILE AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL AVAL AVAL AVAL AVAL ASER ASER ASER ASER ASER ASER AILE AILE AILE AILE AILE AILE AILE AILE A	377377377378378378378378378378378378379379379379379379379379380380380380380380380380380381381381381381381381382382382382382382382383383383383383383384384384384384384384384	5.7366.5397.5575.4555.2805.9545.3024.1353.7524.7235.6855.3986.3176.5657.8359.02910.3958.1715.2904.8644.6823.4582.8231.3440.7991.332-0.2343.7463.0934.7525.0604.3102.9134.3956.5537.2127.0448.3429.09510.5728.8948.1997.3609.0349.1378.4847.23210.62511.34611.10112.49513.20412.97713.49714.74212.62311.977	5.4019.0509.0029.74810.4569.7288.3888.5617.2346.77611.91412.64012.35713.78914.00013.25213.84615.49514.41014.04415.32815.99816.55517.03317.42218.34616.70517.12817.24417.94319.15520.31620.01521.54419.52019.72719.62720.20419.44819.80517.95521.66122.00422.49823.89524.71524.19624.18523.74524.87325.22724.33122.85621.96824.61226.68727.154	-12.989-13.830-13.131-13.511-12.249-11.083-10.759-9.788-9.115-8.072-12.283-11.345-13.358-13.574-14.474-13.864-14.173-14.665-14.178-15.242-13.444-13.815-12.526-12.593-11.190-10.544-10.715-14.802-15.826-14.496-15.263-14.644-14.670-15.497-15.359-14.336-16.597-16.900-18.032-17.996-17.907-17.328-18.162-16.731-17.024-15.938-15.574-17.054-16.171-18.089-18.174-19.231-18.912-19.983-19.288-18.523-19.453	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	61.0953.6554.4752.2651.0651.7753.6956.4158.6359.7948.9449.3146.9045.3144.9143.6844.8844.4144.8644.6444.7044.9446.0549.0953.3956.5953.6043.8243.8042.9441.8541.5946.9242.6340.0139.8537.6536.4236.0135.4935.8635.5535.7534.2133.0433.2133.6032.7032.6831.3430.2130.6828.2329.6229.2230.1029.65	CCONCCCCCNCONCCCCCCONCCCCONCONCCOCCONCCCCCONCCOCONCCCCCCO

原子	5977	N	GLY A	385	13.426	27.423	-17.755	1.00	30.33	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	597959825983598459865988599059945998599960006002600460086009601060126014601760196020602160236026602760286030603260346037604160456046604760496051605360576061606260636065606760706071607360756077607960816082608360856087609060916092	CACONCACBCG1CG2CONCACBCONCACBOGCONCACONCACBCG1CD1CG2CONCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBSGCO	GLY AGLY AGLY AVAL AVAL AVAL AVAL AVAL AVAL AVAL AALA AALA AALA AALA AALA ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ACYS ACYS ACYS ACYS ACYS ACYS A	385385385386386386386386386386387387387387387388388388388388388389389389389390390390390390390390390391391391391391391391392392392392392392392392392392392393393393393393393	13.78015.22416.14615.42916.73716.81418.22316.24817.03416.26918.11818.54518.16420.06220.78720.55221.96122.12921.95422.55521.87823.84024.52625.65726.22625.96427.05327.65228.36028.55928.64126.55825.75727.09926.80026.04824.72826.88528.09229.13128.02229.14729.05630.14531.45232.48232.20030.90329.89029.26028.29230.47630.79331.28729.98731.91932.939	28.81428.95428.33829.77329.96129.35429.40127.90131.48032.25531.88833.28433.87033.33232.37434.40034.47734.20532.83135.81336.83135.80937.01636.85235.77137.97738.06739.48039.74441.22539.63037.70738.42036.61236.15134.81834.92233.80835.94535.62236.10335.80036.47236.03236.46836.01535.10534.65135.09834.30933.62533.81832.40931.89531.73932.32232.988	-18.063-18.577-18.022-19.609-20.236-21.671-22.216-21.741-20.293-20.871-19.640-19.559-18.217-19.789-19.450-20.409-20.802-22.296-22.575-20.452-20.500-20.084-19.665-18.646-18.437-18.010-17.058-17.046-18.366-18.577-15.883-15.665-15.067-15.151-13.807-13.856-14.624-14.498-13.027-13.610-11.716-10.868-9.506-8.575-8.768-7.943-6.917-6.738-7.585-10.670-10.337-10.865-10.746-12.092-13.314-9.736-9.915	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.000.501.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	30.3730.7031.6729.8029.0429.1228.5728.8929.4128.7629.3630.0829.2830.9931.9131.5731.6931.9631.4732.9733.8834.1333.7934.2133.6533.9633.9233.7635.3538.8834.6432.8031.9232.1231.5431.1429.4833.7931.0231.5030.7931.0131.6334.7738.1140.0940.7939.5538.0530.7530.1230.8130.8530.8935.9829.9729.82	CCONCCCCCONCCCONCCOCONCCONCCCCCCONCCCCCONCCCCCCCCCONCCSCO

原子	6093	N	GLY A	394	31.778	31.513	-8.686	1.00	29.04	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	609560986099610061026104610661096113611761186119612161236125612961336134613561376140614161426144614661496150615261546156615861596160616261646166616861726173617461766178618061846188618961906192619461976200620362056206620962126213	CACONCACBCG1CD1CG2CONCACBCG1CG2CONCAONCACBCGND1CE1NE2CD2CONCACBOG1CG2CONCACBCG1CG2CONCACBCGCDNECZNH1NH2CO	GLY AGLY AGLY AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AGLY AGLY AGLY AGLY AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL AVAL AVAL AVAL AVAL AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG A	394394394395395395395395395395395396396396396396396396397397397397398398398398398398398398398398399399399399399399399400400400400400400400401401401401401401401401401401401	32.84832.57531.45733.59933.42534.74134.99036.40334.64532.96233.67131.77831.15329.71328.96529.81031.02830.63131.38531.20732.48933.19232.77033.83133.24834.12235.34735.91035.08733.95234.95434.72936.17237.29938.41838.92739.66936.89637.17636.18635.91335.85637.11934.70234.62834.36233.82932.54131.49130.13630.14328.88628.67829.63127.51032.06731.518	31.44730.53830.05730.28029.48928.70927.57227.03928.08030.40831.29730.17231.00331.43632.18632.29930.25129.08930.92030.42330.62031.60929.67829.77529.34829.64529.03929.52430.41230.48928.87027.89829.19928.27128.65429.91627.70426.79725.97626.48025.07124.88425.30725.63524.52423.34125.39025.01324.95924.42522.90522.48222.48722.83922.12725.96827.042	-7.707-6.567-6.423-5.747-4.529-4.162-5.149-5.087-2.821-3.388-3.001-2.845-1.795-2.242-1.136-3.479-0.466-0.4180.6081.9462.7182.4843.6184.6186.0037.1727.3658.4628.9938.2204.1383.3874.5224.3345.2914.8885.2164.5593.7095.6466.0317.5808.2668.1875.4605.5884.8244.2465.3744.9414.6023.9602.6431.7862.1673.1103.343	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	27.6927.1027.2726.3825.5125.3526.5327.8623.3824.9426.9624.3323.6524.2024.4324.7522.8023.7021.6221.7921.6222.8920.4520.3820.1919.9720.6220.0419.9321.0920.0319.9620.5722.0722.2724.5722.3822.1324.9121.8820.7720.4117.2821.7721.1420.2221.9121.7021.4023.0523.2321.0520.9720.0720.9021.4020.68	CCONCCCCCCONCCCCCONCCONCCCNCNCCONCCOCCONCCCCCONCCCCNCNNCO

原子	6214	N	HIS A	402	32.270	25.549	1.877	1.00	22.54	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	621662186221622262246226622862306231623262346236623962426243624462456246624762496251625462556257625962606262626462666267626862706272627462766280628162826284628662886289629662976304630563066308631063126315631963236324632563276330	CACBCGND1CE1NE2CD2CONCACBCGCDOE1OE2CONCACBCGCD1CE1CZOHCE2CD2CONCACBOG1CG2CONCACBCG1ACG1BCG2ACG2BCONCACBCG1CD1CG2CONCAC	HIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY A	402402402402402402402402402403403403403403403403403403404404404404404404404404404404404404405405405405405405405406406406406406406406406406407407407407407407407407408408408	32.07533.32834.60235.82736.76936.21234.86031.65431.83831.06030.61029.13028.89227.44826.48927.27630.72530.56930.94430.88431.46831.71732.74732.98832.15532.27831.13230.92929.44528.57129.21127.88627.34527.92525.93627.81828.83226.59526.32025.78426.86426.93024.63925.19025.34924.39325.63524.83525.57625.97026.48924.73524.63225.58323.41023.14121.672	26.43527.27226.49027.01326.11525.03525.24825.62524.42626.26725.62025.17524.12223.74424.38722.78326.56827.80125.98026.74625.92326.70027.63128.34928.11528.77227.18726.48427.16126.32228.45828.99229.76829.29129.42029.96730.49930.19131.28630.84630.18530.87229.83429.44432.27131.86933.55934.65235.32534.27234.86536.46635.68436.05336.17937.16537.346	0.7090.3500.2300.5990.394-0.123-0.248-0.446-0.413-1.448-2.691-2.598-1.509-1.311-1.841-0.590-3.885-3.769-5.052-6.286-7.432-8.667-8.734-9.906-10.993-12.176-10.928-9.781-6.583-6.655-6.698-6.943-5.709-4.490-5.536-8.123-8.545-8.632-9.583-10.942-11.765-11.919-10.752-10.956-8.957-8.298-9.139-8.589-7.406-6.383-5.125-6.746-9.698-10.392-9.844-10.881-11.196	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.000.500.500.500.501.001.001.001.001.001.001.001.001.001.001.001.001.00	23.1522.8324.0025.4323.4824.1826.0722.6224.5023.1724.0423.7525.7827.6427.6629.8325.3724.6326.4928.1128.5628.1627.7429.6034.1039.1633.4230.4828.3628.9928.6129.6830.1329.0531.9230.0529.1131.0231.6631.6631.5033.8132.2433.1531.6031.2031.4031.9632.0231.7331.5231.2633.0431.9933.7935.1635.63	CCCNCNCCONCCCCOOCONCCCCCCOCCCONCCOCCONCCCCCCCONCCCCCCONCC

原子	6331	O	GLY A	408	20.879	36.435	-11.021	1.00	35.77	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	633263346336633963426343634463476348634963516353635663596362636563696370637163736375637763816385638663876389639163946395639663996400640164036405640864106414641864196420642264246428642964306432643464386439644064426444644764506453	NCACBCGCDOE1NE2CONCACBCGCDCENZCONCACBCG1CG2CONCACBCGOD1ND2CONCACBCGCD1CD2CONCACBCONCACBCONCACBCGCDNE	GLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASN AASN AASN AASN AASN AASN AASN AASN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA AALA AALA AALA AALA AALA AARG AARG AARG AARG AARG AARG A	409409409409409409409409409410410410410410410410410410411411411411411411411412412412412412412412412413413413413413413413413414414414414414415415415415415416416416416416416	21.31319.95419.81219.28217.86316.94917.68919.53318.42220.41520.03821.10121.26620.03920.34619.11919.70718.89920.33820.02921.06320.78422.56318.64617.84418.36117.03216.92817.91718.85317.72315.93614.84316.27915.36215.98315.07315.47613.59414.94913.76015.91715.64516.93614.77413.87615.02614.27114.97212.81111.86112.65211.34911.45711.81011.59611.703	38.54338.80840.23941.25740.91540.56541.00737.78137.31337.37136.32736.15437.39637.69538.74739.07534.96534.23634.60033.34032.92831.52333.04633.48632.58334.63234.87536.25536.45835.68837.53734.83334.36335.29135.41036.25537.07836.91236.83134.05033.77433.21931.84031.07231.09630.33231.31630.61830.78231.11730.33332.43233.06834.60335.17134.21234.888	-11.640-12.113-12.635-11.585-11.053-11.829-9.738-13.180-13.157-14.069-15.006-16.076-16.913-17.735-18.817-19.536-14.394-14.969-13.269-12.577-11.429-10.942-11.869-11.980-12.089-11.376-10.781-10.102-8.973-8.800-8.215-11.847-11.599-13.039-14.136-15.246-16.166-17.634-15.980-14.666-14.735-15.052-15.451-15.681-14.434-14.809-13.148-12.104-10.758-12.014-11.776-12.135-12.006-11.872-10.474-9.292-7.996	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	36.7336.6737.3641.7846.4148.6849.9135.5235.5534.4834.5634.8735.5936.8736.5534.9034.6634.9434.4533.2933.2431.9832.1633.1232.0433.1034.0034.2034.0734.4133.8734.2335.1034.3534.8934.4536.2036.1135.2635.0835.1034.9735.1134.6136.0635.9536.8337.3036.8337.9838.0338.2238.5138.8441.7246.8749.35	NCCCCONCONCCCCCNCONCCCCCONCCCONCONCCCCCCONCCCONCCCONCCCCN

原子	6455	CZ	ARG A	416	11.158	34.447	-6.854	1.00	52.27	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	645664596462646364646466646864716474647564796480648164836485648864916492649664976498650065026505650865096513651465156517651965226523652565276528653065326534653565366538654065436544654665486549655165536555655665576558656065636566	NH1NH2CONCACBCGSDCECONCACBCGSDCECONCACBCGSDCECONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1CE1CZ0HCE2CD2CONCACBCGCD	ARG AARG AARG AARG AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APRO APRO APRO APR0 APRO A	416416416416417417417417417417417417418418418418418418418418419419419419419419419419420420420420420420420420420420420420421421421421421421421421421421421421422422422422422	10.46011.28310.5119.32311.14910.51811.53111.86913.46613.1489.9068.74810.67610.12111.23511.41O13.12313.2178.9038.0788.7647.6228.0139.1069.1527.6046.4445.3066.6945.5956.0046.0647.1277.1876.1826.1545.1545.1045.0933.9985.9015.5306.4056.3327.2647.2016.2096.1355.2675.3405.7416.6694.9225.0934.1363.1023.800	33.31535.16332.69532.47132.59632.17132.17733.54833.63232.66030.77430.58929.77928.43327.41126.97826.44826.96928.31127.40629.24729.26B29.86529.04027.16726.64330.02629.58131.16732.00633.47434.22334.05534.80835.72136.49635.89535.16931.53131.84730.76530.21630.81432.32333.14734.53335.11336.47234.31332.91628.71528.18028.02826.59026.30827.33128.567	-6.813-5.741-13.226-13.080-14.400-15.666-16.828-17.417-18.295-19.600-15.582-15.891-15.190-15.071-14.795-13.353-13.041-11.321-14.090-14.214-13.166-12.269-10.917-10.175-10.469-9.511-12.848-12.734-13.472-13.914-13.969-12.658-11.741-10.565-10.300-9.158-11.180-12.352-15.289-15.68O-16.006-17.298-18.393-18.536-17.927-18.050-18.811-18.950-19.431-19.289-17.232-17.855-16.437-16.221-15.085-15.227-15.56	1.001.001.O01.001.001.001.001.001.O01.001.001.001.001.001.001.001.001.001.001.O01.001.O01.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.00	53.9551.9238.1938.3737.8937.4336.6537.7636.6838.5637.7438.0138.1339.4139.7543.4148.5549.4739.2139.7239.4339.8340.2944.8655.7755.1839.0538.5938.3038.0938.1041.6444.1643.7244.8946.3644.5344.7836.8136.8335.9935.3035.0735.8036.7039.4639.8739.4341.4238.7435.4635.5935.0734.7534.5734.6935.14	NNCONCCCSCCONCCCSCCONCCCSCCONCCCCCCOCCCONCCCCCCOCCCONCCCC

原子	6569	C	PRO A	422	4.687	25.819	-17.434	1.00	34.81	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	657065716573657665776578658065826584658765916595659665976599660166036607661166126613661566176619662166256626662766296631663466356636663766396641664466456646664766486649665166536656665866596660666266646666667066746675667666786680	ONCACONCACBCG1CD1CG2CONCACBCG1CG2CONCACBOG1CG2CONCACBSGCONCACBCGOD1OD2CONCACBOGCONCACBCG1CG2CONCACB	PRO AGLY AGLY AGLY AGLY AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATHR ATHR ATHR ATHR ATHR ATHR ATHR ACYS ACYS ACYS ACYS ACYS ACYS AASP AASP AASP AASP AASP AASP AASP AASP ASER ASER ASER ASER ASER ASER AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATHR ATHR ATHR A	422423423423423424424424424424424424424425425425425425425425426426426426426426426427427427427427427428428428428428428428428429429429429429429430430430430430430430431431431	3.8515.2634.7855.4445.1976.2767.0116.3186.2296.0064.8858.4918.9119.25210.56711.41812.83411.48010.4419.80411.04511.07610.46410.9478.97512.50213.39912.73114.00814.88314.36813.87512.79214.99315.11716.03017.52517.94918.37915.57215.84415.63816.02015.80114.46617.44117.68718.37919.77920.70122.08120.81319.87320.57319.12719.14018.427	26.33224.64923.73623.95723.22724.99225.25326.38727.64228.87325.97225.57225.81925.57126.19125.51326.12023.97127.68028.05228.53829.98530.76930.22730.57830.45429.93531.44932.14431.70532.27933.65034.19334.30335.75336.22235.95135.29636.34936.32635.58537.65338.37739.86640.05338.18238.06538.18737.88437.90637.38439.28936.52436.37335.54834.19433.219	-18.142-17.682-18.706-20.038-20.985-20.129-21.346-22.113-21.265-22.077-22.512-21.100-19.958-22.204-22.318-23.429-23.471-23.224-22.639-23.613-21.821-22.064-20.892-19.671-20.782-22.196-21.536-23.031-22.997-24.152-25.784-22.956-23.162-22.639-22.632-21.467-21.695-22.677-20.879-23.994-24.946-24.063-25.278-25.102-24.639-25.708-26.898-24.759-25.090-23.837-24.190-23.270-25.790-26.801-25.282-25.835-24.856	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	36.6934.2933.6633.3232.8633.1732.2432.2232.3431.7833.1332.1631.6431.7231.8532.1232.0631.5031.9432.7632.3132.1732.3032.9033.5532.2532.3432.5132.8732.9735.8832.5532.7832.3432.1931.9732.1331.2832.8732.8132.4733.9635.2735.3240.4135.1835.4635.4335.3535.0536.3233.4235.4036.0235.5336.1936.01	ONCCONCCCCCCONCCCCCONCCOCCONCCSCONCCCOOCONCCOCONCCCCCONCC

原子	6682	OG1	THR A	431	19.023	33.306	-23.572	1.00	36.30	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	668466886689669066926694669766986700670267036705670767096710671167136715671867196720672367246725672767306731673267346736673967416742674367456747675067516752675567566757675967616764676667706774677567766777677967826785678867896790	CG2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGOD1ND2CONCACONCACBOGCONCACBCGOD1ND2CONCACBCGCD1CD2CONCACBCGCDCON	THR ATHR ATHR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AASN AASN AASN AASN AASN AASN AASN AASN AGLY AGLY AGLY AGLY ASER ASER ASER ASER ASER ASER AASN AASN AASN AASN AASN AASN AASN AASN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU APRO APRO APRO APRO APRO APRO APRO AALA A	431431431432432432432432432432432432432432432433433433433433433433433434434434434435435435435435435436436436436436436436436437437437437437437437437438438438438438438438439	18.58918.43318.86517.29216.48815.19114.37713.71212.94012.81412.03613.46114.23117.30017.55917.74818.53518.76417.49917.10016.81419.86920.36320.45821.77921.80222.83120.69320.59119.23518.15620.71421.28520.12019.98521.36921.40621.14821.71019.08818.83018.62017.64317.15818.10817.51218.43716.45916.17815.74014.63414.03815.05715.87313.60113.38612.939	31.77934.14333.48334.79434.74435.50235.81534.80835.08936.39336.63837.42137.12735.33234.64436.57837.24638.73039.51340.08739.49336.59236.51336.11735.53534.19633.84433.44632.13631.46332.16432.32531.48533.41633.67633.75434.73435.93534.23932.65632.83231.60830.64629.69028.58127.77327.69231.42132.51930.84231.55330.51229.48229.46031.95431.21533.071	-25.256-27.173-28.072-27.277-28.501-28.255-29.468-30.150-31.254-31.692-32.813-31.017-29.915-29.681-30.692-29.520-30.568-30.254-30.289-29.290-31.435-30.769-31.885-29.689-29.772-30.488-31.068-30.437-31.114-30.823-31.460-32.624-33.333-33.104-34.540-35.204-36.333-36.132-37.544-35.280-36.484-34.562-35.079-33.986-33.577-32.452-34.769-35.589-35.088-36.549-37.194-38.141-38.299-37.051-36.168-35.207-36.400	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	34.5637.0036.7539.3341.2641.3043.8846.4547.3547.6448.4046.4045.1542.8242.2844.7146.5246.2745.4344.9046.5448.1949.8449.9051.1752.2452.6653.2453.8653.7153.4054.4654.5755.4856.4157.1058.9761.7759.5656.0156.4354.8753.3853.1553.8853.2555.6752.2052.0251.0150.1150.0250.8751.2349.1449.6447.56	CCONCCCCCCOCCCONCCCONCONCCONCCOCONCCCONCONCCCCCCONCCCCCON

原子	6792	CA	ALA A	439	12.055	33.642	-35.414	1.00	46.51	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	679467986799680068026804680768086810681268136815681768196820682168236825682868296831683368356837683968406841684368456848684968516853685568576859686068616863686568686871687468776881688268836885688768906893689468956896689768986900	CBCONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1CE1CZCE2CD2CONCACBCGCD1CE1CZCE2CD2CONCACBCGCDCENZCONCACBCGCDOE1OE2CONCA	ALA AALA AALA ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU ALEU A	439439439440440440440440440440440440440440440441441441441441441441441441441441442442442442442442442442442442442443443443443443443443443443444444444444444444444444444445445	11.68210.80810.21810.4329.2678.7619.7729.93010.87511.65312.57211.51410.5829.5238.60810.76711.09712.61113.20112.97313.51214.30214.56314.02210.56610.43810.2549.88110.82712.28713.08214.43314.97914.19012.8578.4707.9207.8836.6535.5044.3303.2912.1470.8896.8457.2166.5826.7366.6806.8496.8957.2576.5715.6214.5105.9114.969	35.05532.80032.90931.94031.04230.60729.87728.50327.83828.55827.92229.91930.57529.79228.96129.65928.66628.44827.55327.79727.00325.93125.68426.49629.15028.36530.44031.10132.26431.86131.90531.54631.15731.12031.46531.63531.83131.84832.60131.71532.56931.84832.83632.21933.70733.42734.95836.08337.35738.64239.86040.95239.70436.03735.75536.29236.045	-35.837-35.134-34.072-36.070-35.917-37.313-38.184-38.111-38.906-39.781-40.585-39.868-39.078-35.031-34.798-34.545-33.513-33.395-34.464-35.814-36.768-36.407-35.078-34.110-32.176-31.236-32.108-30.877-30.658-30.588-31.709-31.632-30.419-29.302-29.381-30.910-31.982-29.731-29.578-29.126-28.661-27.847-27.652-27.212-28.544-27.408-28.920-28.001-28.800-28.008-28.925-28.413-30.154-26.981-27.338-25.708-24.609	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	47.0444.8645.0943.3841.2841.4041.0641.4141.1541.2042.6441.7742.9840.0638.2638.6938.3238.7640.0540.3842.4243.4642.4041.9837.4636.5036.7037.5137.7938.2638.8140.9639.0138.0138.1838.1339.2838.6338.7938.9038.0637.3339.7040.1639.4739.5139.8540.0740.8343.4746.5345.2248.1639.9541.2639.7139.08	CCONCCCCCCOCCCONCCCCCCCCCONCCCCCCCCCONCCCCCNCONCCCCOOCONC

原子	6902	CB	LEU A	445	5.653	35.201	-23.525	1.00	39.32	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	690569076911691569166917691869206923692669296930693169336935693869416944694769516952695369556957696069636966696969736974697569776979698169856989699069916993699569987001700270067007700870107012701570187021702470287029703070327035	CGCD1CD2CONCACBCGCDCONCACBCGCDCENZCONCACBCGCDCENZCONCACBCG1CG2CONCACBCGSDCECONCACBCGCDCENZCONCAC	LEU ALEU ALEU ALEU ALEU APRO APRO APRO APRO APRO APRO APRO ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL AMET AMET AMET AMET AMET AMET AMET AMET ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLY AGLY AGLY A	445445445445445446446446446446446446447447447447447447447447447448448448448448448448448448449449449449449449449450450450450450450450450451451451451451451451451451452452452	6.0677.0784.8714.4715.1073.3312.8651.4951.3122.3813.7664.2523.9704.7834.9815.4996.5907.9649.1384.0992.8754.8954.4234.4633.1193.3101.9582.0185.3216.5474.7315.5474.7785.6824.2726.0705.3007.3828.0168.8708.0739.17210.1268.8319.6578.5769.0188.0626.5615.9494.9863.64710.43910.72411.32612.75713.504	33.75733.28532.86137.34038.37537.29338.44137.99936.59736.17438.79937.89940.09540.55842.08142.66743.73243.09243.98940.13440.18839.65439.32137.79637.08035.62534.88633.60740.05940.05640.73341.27342.25442.66743.49840.08639.35439.90138.77638.03337.12236.16637.54539.22040.13438.55939.04938.58439.03639.85139.00038.75138.58537.39539.54439.30039.566	-23.826-22.842-23.741-23.964-24.066-23.289-22.489-21.988-22.417-23.288-21.305-20.616-21.063-19.931-19.944-21.276-21.076-20.706-21.051-18.634-18.521-17.687-16.338-16.111-16.321-16.696-16.803-17.589-15.329-15.466-14.346-13.259-12.342-11.144-13.150-12.437-11.803-12.463-11.801-12.806-13.696-14.709-15.508-10.583-10.660-9.458-8.148-7.026-7.231-6.056-5.183-5.833-7.900-7.999-7.624-7.553-8.849	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	39.1540.1741.5639.1238.4439.8740.9740.2239.2439.1343.1443.3446.2548.5649.3052.6756.7859.2560.6749.5749.7950.9351.9852.0350.7850.5650.5649.3653.1653.2654.4855.4655.9356.1355.3955.9356.1456.3956.7456.0653.1748.5546.4458.1758.0160.3162.2963.1364.7666.9767.8867.4462.9263.2563.5064.0164.42	CCCCONCCCCCONCCCCCNCONCCCCCNCONCCCCCONCCCSCCONCCCCCNCONCC

原子	7036	O	GLY A	452	14.658	39.137	-8.999	1.00	64.35	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	703770397041704370477051705270537055705770617062706370657067707070717072707370747075707770797082708470857086708870917092709370947096709971027105710671077109711171147116712071247125712671287130713371347136713871397141714371457146	NCACBCG1CG2CONCACBCONCACBCGOD1OD2CONCACBOGCONCACONCACBCGCDCONCACBCGCD1CD2CONCACBCGCD1CE1CZOHCE2CD2CO	VAL AVAL AVAL AVAL AVAL AVAL AVAL AALA AALA AALA AALA AALA AASP AASP AASP AASP AASP AASP AASP AASP ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY APRO APRO APRO APRO APRO APRO APRO ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR A	453453453453453453453454454454454454455455455455455455455455456456456456456456457457457457458458458458458458458459459459459459459459459460460460460460460460460460460460460	12.86413.47113.25611.85113.59813.05811.86814.07213.91314.98814.03415.09012.97212.72112.99812.31711.16212.87013.44714.66112.65913.02211.83210.65613.36614.08112.82312.86911.83511.07311.79010.84511.02411.85612.61211.17112.32510.17410.3549.80310.5479.88811.9839.7188.74810.2839.88210.97611.24012.17412.40411.68411.91710.74410.5179.66410.292	40.28240.57039.38838.83839.80841.94042.32642.64744.00444.91943.98543.63844.42144.13145.33245.18544.69645.51442.89742.90541.83840.66339.71940.39141.00040.24042.12442.47041.58040.90741.56440.70141.10542.35342.38539.22038.84238.40436.96636.49037.11036.76836.64236.14936.55834.96834.06434.05535.42436.24337.54438.05039.33937.24735.93232.64832.217	-9.779-11.094-12.112-12.046-13.565-11.713-11.736-12.209-12.716-12.105-14.236-14.770-14.913-16.337-17.258-18.630-18.693-19.705-16.860-17.093-17.029-17.806-17.793-18.226-19.260-19.959-19.727-21.136-21.791-21.083-23.118-23.826-25.301-25.289-24.024-23.613-23.731-23.298-23.157-21.825-20.663-19.375-20.714-24.266-24.879-24.483-25.543-26.596-27.099-26.478-26.917-27.989-28.448-28.622-28.164-25.037-24.091	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	65.0665.5265.8166.4266.4165.3165.1864.6764.6864.8664.2264.6463.5362.3962.7563.4863.7164.5360.7760.8758.7656.1356.3556.2454.2453.9651.9049.9248.1948.3545.5243.7743.8344.4045.0442.2042.7040.4139.2839.1838.6039.5639.9638.5738.8437.8537.0536.8036.0335.4336.5137.5437.3337.7536.4236.7936.37	NCCCCCONCCCONCCCOOCONCCOCONCCONCCCCCONCCCCCCONCCCCCCOCCCO

原子	7147	N	GLN A	461	8.754	31.926	-25.674	1.00	36.27	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	714971517154715771587159716271637164716671687171717271747176717771797181718371847185718771897192719371957197719871997201720372057207720872097211721472157216721872207223722672297231723272357238723972407242724472467248725272537254	CACBCGCDOE1NE2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1NE1CE2CD2CE3CZ3CH2CZ2CONCACONCACBCGCDNECZNH1NH2CONCACBOG1CG2ON	GLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP AGLY AGLY AGLY AGLY AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ATHR ATHR ATHR ATHR ATHR ATHR ATHR AGLU A	461461461461461461461461462462462462462462462462462462462462463463463463463463463463463463463463463463464464464464465465465465465465465465465465465466466466466466466466467	8.6787.2377.0555.6665.4594.7049.4929.34810.36310.97412.27913.03913.54714.25514.50615.22714.03413.2969.9979.8209.3408.3437.6156.3596.2284.9094.1645.0404.5113.1432.3072.7958.9678.41210.10710.72110.80310.21911.52311.75412.67314.00015.09715.75816.84817.43317.35310.47710.4359.4528.3128.2008.6469.1396.9556.8465.933	30.50230.04728.60528.10126.92328.97429.90230.31128.94928.18427.59226.87927.56426.92225.58324.98224.86125.51827.09026.06227.35126.47627.22626.58225.66825.32025.98726.79927.60727.57926.76325.95325.17824.10025.28324.13624.22425.10723.26623.18621.99421.93721.16521.98421.62520.44222.45323.07523.61322.40221.99720.44719.92319.82422.61323.37222.266	-25.501-25.563-26.074-25.908-25.671-26.028-26.637-27.766-26.349-27.398-26.924-27.995-29.061-30.049-29.970-30.970-28.906-27.912-27.820-27.140-28.943-29.505-30.626-31.101-32.107-32.258-31.332-30.592-29.594-29.371-30.131-31.100-30.033-29.852-30.710-31.346-32.855-33.476-33.433-34.882-35.243-34.480-35.201-36.224-36.910-36.712-37.812-35.726-36.836-35.207-36.028-36.010-34.745-37.050-35.640-34.676-36.428	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	35.4834.8534.0432.5637.4931.3736.0436.4636.2636.6036.8235.6234.5437.2336.3736.2237.0338.3637.8538.0138.8239.0838.1435.4532.1028.4930.6632.0532.8132.4630.2130.4641.7241.1444.7647.5350.4350.3454.2457.5958.1762.0266.2969.9072.7074.1373.2859.1259.7960.7462.3362.4662.3462.4863.8164.2365.31	CCCCONCONCCCCCCOCCCONCCCCNCCCCCCCONCCONCCCCNCNNCONCCOCCON

原子	7256	CA	GLU A	467	4.522	22.458	-36.082	1.00	66.02	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	725872617264726572667267726872697271727372767279728272857289729172927293729572987299730073027303730473067308730973107313731573167318732073227324732673277329733073317332733573367337733973407341734473477350735373567359736273657368	CBCGCDOE1OE2CONCACBCGCDCENZCO1APAO2AC3APBO1BO2BO3BPGO3GO2GO1GO5＊C5＊C4＊O4＊C1＊C2＊O2＊C3＊O3＊N9C8N7C5C6N6C4N3C2N1CAOOOOOOOOOO	GLU AGLU AGLU AGLU AGLU AGLU AGLU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XAPC XCA  XHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	4674674674674674674674684684684684684684684681500150015001500150015001500150015001500150015001500150015001500150015001500150015001500150015001500150015001500150015001500212345678910	4.1374.1994.8905.8114.5094.1574.1443.8033.4432.5981.1950.587-0.0970.7984.70114.64214.54513.27216.05216.35416.56615.10617.61219.01619.86519.80218.82714.38515.45414.98416.00816.48215.2715.07214.73513.41317.96818.75720.09120.17421.20322.50918.80818.51219.53720.82118.57319.06137.27028.55932.39233.72630.0918.23530.7349.38331.661	21.64120.12419.44418.62519.72423.90624.31724.64726.08326.44825.87525.88324.56423.47326.93735.19236.20737.15337.23738.27937.42439.22739.27738.91938.00440.26938.17835.37234.60433.22732.65631.41131.12729.85432.27131.75531.47232.56132.26830.95629.91430.23030.48029.10328.26528.64736.03120.13044.82321.71218.00024.53020.60025.18021.30228.09618.850	-34.827-34.992-33.817-34.042-32.663-35.839-34.685-36.901-36.827-35.589-35.563-34.175-33.812-33.364-36.837-3.712-4.931-4.778-4.999-3.526-2.208-3.261-3.751-4.450-3.466-4.652-5.838-6.305-6.870-7.333-8.143-7.611-6.306-6.305-6.174-6.301-7.527-7.731-7.602-7.324-7.068-7.072-7.296-7.020-6.804-6.824-1.913-0.7400.2267.48110.29416.9419.840-25.12112.286-18.45812.633	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.OO1.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	66.3166.9467.7168.5568.1066.3267.3066.0365.4465.1464.2561.3060.4457.3465.6477.5679.5179.3880.0679.2878.4881.0480.4878.8383.1780.5580.4180.9381.3781.0580.6981.0881.2680.4981.3281.6880.8581.0681.4480.8480.1480.0780.4079.7879.8179.59102.9312.7522.3922.4018.6928.8816.429.6317.8826.4917.24	CCCOOCONCCCCCNCOPOCPOOOPOOOOCCOCCOCONCNCCNCNCNCAOOOOOOOOOO

原子	7371	O	HOH W	11	12.043	25.336	21.153	1.00	31.37	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	737473777380738373867389739273957398740174047407741074137416741974227425742874317434743774407443744674497452745574587461746474677470747374767479748274857488749174947497750075037506750975127515751875217524752775307533753675397542	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	121314151617181920212223242526272829303132333435363738394041424344454647484950515253545556575859606162636465666768	38.11528.38735.35421.34951.73126.44724.41335.82027.11732.86331.55540.72640.76338.40524.61636.54227.75638.67313.37440.04046.98140.46436.70911.9337.42734.39125.7087.85423.30532.29335.93038.54237.13416.65526.47524.1560.15640.13329.32065.24943.45541.17923.49438.41518.9236.84248.92427.27126.22218.43834.23041.83637.10424.14030.18428.73839.363	23.37422.18343.96134.85332.8888.24027.69016.26217.99520.58921.64427.36638.25629.85217.74632.1049.27925.38217.7739.19229.61735.90525.77038.12922.37630.09720.71922.27238.20013.15738.28637.94712.79611.93311.90913.77333.15011.3319.42420.27540.80724.58616.56636.57210.68025.13817.9695.19016.8228.72621.17746.92219.0644.65017.48919.62228.343	-0.18413.459-1.703-8.449-13.583-7.880-7.25217.99411.78222.278-7.276-9.681-5.049-6.813-4.4665.331-1.63012.29922.924-7.151-6.447-7.06221.54013.873-13.679-12.598-1.0079.804-14.76116.537-13.980-3.73710.60113.43629.0759.45212.73317.441-4.60523.94910.5906.3289.191-1.39912.864-13.2345.1227.34814.046-21.525-14.091-11.15326.036-11.48522.16914.3008.909	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	18.8926.9426.3728.9936.1428.3642.9625.2132.8941.4326.9534.7622.8832.1723.0332.1228.5231.9545.8155.7542.4825.5128.7535.3045.0246.3140.4939.7633.5748.6624.8934.1631.8539.5139.2639.5350.5333.8732.5831.5425.9532.2229.2225.9032.6645.5937.6755.3034.9445.5930.0734.2947.8143.0731.0129.8946.77	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	7545	O	HOH W	69	37.904	29.510	13.212	1.00	38.78	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	754875517554755775607563756675697572757575787581758475877590759375967599760276057608761176147617762076237626762976327635763876417644764776507653765676597662766576687671767476777680768376867689769276957698770177047707771077137716	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	707172737475767778798081828384858687888990919293949596979899100101102103104105106107108109110111112113114115116117118119120121122123124125126	31.68145.82125.43426.77947.1354.35216.06735.32527.29124.62122.6522.20515.39834.13814.2026.41926.64921.33937.27420.52026.15736.11634.29123.49911.23936.83829.73327.09541.15624.11629.56841.34322.72611.72041.24521.50133.83520.14522.91931.08728.08224.96248.29221.66133.42623.26034.64237.87521.83025.24618.57223.23813.88126.5370.92638.7288.380	23.97118.8349.12817.18719.44622.80636.60544.71315.87744.35440.76919.9765.1434.59340.62523.61112.07332.05229.62630.21119.42030.92025.7979.26517.59634.64021.38018.07227.1927.68924.93325.90617.66121.09833.3609.66734.05618.1518.60427.23220.68331.71421.89734.29615.31219.61847.18233.07628.54731.1543.93810.4239.89216.9256.71934.30926.433	15.143-2.633-17.116-6.396-0.3928.825-33.483-13.257-18.5105.780-15.641-12.114-11.331-2.996-27.961-28.63223.57929.205-20.881-35.401-3.092-6.574-13.969-18.4504.802-0.701-3.335-14.22617.5667.017-18.0978.44411.39827.247-4.6276.0449.875-28.24620.110-28.895-4.383-32.63112.949-6.07117.768-5.852-13.5761.757-34.92629.2114.18421.70719.52216.188-4.415-5.286-34.907	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	36.3433.8849.4536.5236.2546.2670.7146.0049.0277.1839.2952.9537.6539.6946.1134.0843.8547.6251.1042.1037.0128.7541.5535.0441.9730.2640.7434.2265.1338.7828.8852.0830.8766.2140.9343.2842.7870.9133.7653.2846.0352.5051.3849.9234.1634.5443.0243.5146.5947.6855.6239.4150.7346.1963.0245.9944.52	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	7719	O	HOH W	127	41.725	21.695	21.446	1.00	73.30	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	772277257728773177347737774077437746774977527755775877617764776777707773777677797782778577887791779477977800780378067809781278157818782178247827783078337836783978427845784878517854785778607863786678697872787578787881788478877890	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	128129130131132133134135136137138139140141142143144145146147148149150151152153154155156157158159160161162163164165166167168169170171172173174175176177178179180181182183184	38.82729.68727.10818.3418.2015.11429.99024.87918.353-3.54730.3129.51641.81714.74532.67627.69530.36238.58833.32423.32523.95917.15726.71433.93020.2367.22957.01429.851-1.0329.07727.09442.63914.9950.99330.95730.96250.01314.09819.17126.05835.73448.33141.50434.68619.06649.74333.0694.61127.64223.56215.1495.41124.29439.74739.3138.76815.250	8.7836.82127.72938.35822.21823.56216.41219.16943.02739.07620.25042.25124.68335.04910.9851.88251.64227.32637.02335.58310.7323.68048.2579.03412.53316.49511.6607.5878.21842.00118.54524.76220.71838.37931.3368.62013.25218.49013.22515.38230.10617.20340.19926.87931.42919.98823.84422.73313.14916.5086.12145.32840.92223.59313.2696.81624.019	6.586-4.70333.874-34.473-32.459-1.213-15.92512.437-7.8574.04424.116-29.098-3.760-34.38515.0234.427-15.746-2.1948.11024.6276.610-0.504-14.5246.80118.128-25.34520.342-16.115-5.088-16.30015.356-15.58228.336-6.017-30.7783.83212.89829.288-26.186-13.5030.6170.152-11.92624.143-4.0494.36123.831-24.09826.54213.9039.6495.271-17.8044.64714.670-11.062-0.353	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	43.8251.7249.3461.2457.3557.4248.9369.5456.9153.2046.4257.2654.8965.7835.8067.7540.8636.1042.1764.6242.7447.1048.5535.4546.3158.1847.9042.3964.1571.3358.9048.3354.8568.3549.4542.2658.1164.2536.1053.6042.9834.9646.3570.5242.6848.1361.8159.0447.5455.2444.9762.9958.8346.8337.9355.7042.06	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	7893	O	HOH W	185	26.260	50.599	-2.197	1.00	46.67	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	78967899790279057908791179147917792079237926792979327935793879417944794779507953795679597962796579687971797479777980798379867989799279 9579988001800480078010801380168019802280258028803180348037804080438046804980528055805880618064	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	186187188189190191192193194195196197198199200201202203204205206207208209210211212213214215216217218219220221222223224225226227228229230231232233234235236237238239240241242	44.74715.11813.18819.06418.0934.59541.12627.87525.49314.32028.52715.8003.04526.88822.07549.46021.17628.86441.80828.69117.60944.62637.70143.48143.2394.27730.83420.06316.23331.39923.01921.52019.76035.54730.72938.92317.54831.04524.56939.00433.63732.49727.12716.39133.5662.45624.24717.41418.89323.20039.91918.73928.08415.9974.19816.02627.862	24.15322.47516.12941.10424.02614.83226.6026.43938.17514.08517.92637.85312.48151.29938.36917.38910.0979.25710.3806.08626.30242.97924.39245.3094.82514.4497.61241.57120.72533.22938.94040.93242.92032.38331.80629.05839.63518.23830.76226.63015.03732.934-0.83340.49310.41328.56233.19319.97935.30330.9729.54316.6496.68712.10119.42937.98329.109	20.161-31.133-28.0849.545-1.014-18.35013.382-1.72216.992-25.998-11.63121.846-10.2642.448-27.8383.16619.2741.81116.6010.941-2.191-12.07211.172-12.3904.650-22.6041.625-16.437-1.359-28.21918.512-26.873-18.2792.847-22.518-3.734-22.203-13.317-30.69420.950-10.200-32.1100.359-6.70612.234-39.766-34.15529.076-5.348-35.6488.62131.839-6.425-26.614-23.172-12.55531.807	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	60.6147.8756.8056.4734.2639.6043.9136.5738.8248.8844.3153.1060.3374.9353.9848.8156.7042.5951.0643.5959.2837.2353.0733.6350.0656.7639.9042.7443.3872.1854.1144.4452.1835.7855.2247.8340.8656.2357.9257.4037.0255.6156.5452.5746.0344.7168.3053.5847.8858.0362.4166.7856.5249.3257.4680.0567.80	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8067	O	HOH W	243	28.893	30.571	-32.042	1.00	62.45	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	807080738076807980828085808880918094809781008103810681098112811581188121812481278130813381368139814281458148815181548157816081638166816981728175817881818184818781908193819681998202820582088211821482178220822382268229823282358238	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	244245246247248249250251252253254255256257258259260261262263264265266267268269270271272273274275276277278279280281282283284285286287288289290291292293294295296297298299300	28.82848.64846.79314.63230.79825.25747.6507.27829.72712.71030.10241.93229.3913.1148.03224.71135.4179.7080.91526.29116.10144.92834.57639.54241.03826.99818.6051.22817.99615.0337.1073.92450.2357.86017.47134.26536.27431.31538.12813.90023.85933.25935.1927.18317.94927.78224.05319.87727.54510.46823.66733.33233.9240.45738.09833.23121.178	26.04822.08725.68921.21214.38719.33831.75622.9085.37139.83634.69513.06415.25710.7489.9064.7279.0177.50710.88053.5467.5723.20735.92925.09223.91132.13640.90910.5592.76539.12525.85417.31528.53734.37935.12412.48310.82423.11024.4142.88640.50748.40531.27141.38934.11041.93746.74842.34742.09131.07414.54853.6585.12333.51737.23127.49435.910	-29.729-14.05719.600-38.397-17.774-7.297-15.845-25.415-2.756-4.38013.30214.62926.710-15.02326.520-13.9758.479-12.613-10.3081.625-17.6233.0349.2112.399-1.918-31.674-26.757-4.5462.04819.611-37.190-18.511-6.078-7.205-33.517-10.33612.241-4.804-2.879-6.302-11.734-16.819-14.626-26.125-3.610-13.726-5.102-5.4781.265-8.71315.860-3.2912.08919.803-12.867-23.45920.994	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.000.331.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	53.6362.1653.4663.6473.1245.0352.0660.2041.4852.7038.0043.4054.3858.4959.2648.5847.2944.8161.1246.1458.5554.9563.6743.3438.2883.3856.1266.9847.2650.0149.8052.5752.5951.2568.8444.3552.5320.0133.4944.9138.1564.2449.1443.5250.9356.9459.2252.3359.4759.2939.3149.1048.9552.6643.6047.4550.55	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8241	O	HOH W	301	3.851	28.450	26.965	1.00	51.52	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	8244824782508253825682598262826582688271827482778280828382868289829282958298830183048307	OOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	302303304305306307308309310311312313314315316317318319320321322323	7.19625.37237.33019.87222.82611.3625.2754.64512.53410.21741.992-1.0606.60026.75232.48141.36331.99728.0647.95828.23822.5455.021	31.9248.89537.7165.23340.26344.16122.65029.97221.08722.36143.51942.27616.21734.39729.82931.49426.36153.88938.91746.51122.61019.932	-8.1078.6578.382-13.595-20.8037.36821.80029.255-31.099-1.892-13.138-7.4619.858-23.448-22.517-0.643-25.638-5.085-18.408-15.443-33.274-18.603	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	49.6554.6953.6748.1050.9549.3439.2551.2656.5952.9449.5352.3852.6641.9552.2154.2653.2848.9043.1759.4059.2252.28	OOOOOOOOOOOOOOOOOOOOOO

表3

CRYST1  99.673  99.673   96.824  90.00  90.00 120.00 P 63

SCALE1    0.010033  0.005792  0.000000        0.00000

SCALE2    0.000000  0.011585  0.000000        0.00000

SCALE3    0.000000  0.000000  0.010328        0.00000

原子	1	O	HOH W	1	33.402	24.338	14.214	1.00	8.73	W	O
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	2345678910111213141516171819202122232425262728293031323334353637383940414243444546474849505152	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	2345678910121314171819202223242526272829303132333435383940414344454749515253545556575859606163	36.85228.23338.94226.39127.53417.77735.89036.75537.45644.61736.38015.900-2.8757.67247.4598.73729.38016.7483.8888.08522.55521.14722.22848.43829.67929.89441.55016.93222.31114.24919.89733.75639.1653.02924.20814.9009.51718.44529.5582.50035.94230.72238.65528.99736.49532.74919.5191.45851.25032.13623.626	44.28221.7879.16748.43721.26135.33915.48413.05624.67524.76840.63839.51231.87621.79520.04224.73031.69038.91715.3726.11517.38034.54535.69717.57721.30046.56846.9042.75138.41224.71025.64839.58823.80229.26219.0206.12635.34940.13219.42710.74231.55548.60127.7948.67331.73714.08123.15112.76220.20818.16521.959	-2.90510.7703.516-14.9034.683-36.61914.9668.1848.99917.290-14.773-24.850-0.2987.006-2.429-28.34124.578-36.971-21.17010.8828.737-42.99522.738-10.414-6.000-19.660-14.358-3.428-32.19522.63228.961-20.586-5.422-22.318-9.7637.609-35.4236.45821.459-17.044-8.742-18.295-4.962-0.8852.86815.77728.268-16.5567.5807.751-36.161	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	29.3724.1435.0045.3028.3459.9037.2125.0620.5438.3239.5128.0361.8330.2848.3117.1339.7355.2150.5934.3618.4234.9463.2130.237.1042.2439.2242.5265.8345.0642.3433.7021.1458.5332.0249.4349.1935.3643.3847.8927.6250.3125.4746.5525.2745.5444.2635.8548.4921.7780.22	WWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWW	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	53	O	HOH W	64	32.889	12.301	13.827	1.00	26.19	W	O
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	54555657585960616263646566676869707172737475767778798081828384858687888990919293949596979899100101102103104105106107108109110	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO1C2O3O4OOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WBCT XBCT XBCT XBCT XHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	666768707475767778798082838485868891939S9698991001021031051061071081091101111121111113114115116117118119120121122123124125126127128129130131	31.33930.75932.1479.9551.07715.58731.4573.75443.63436.3543.01327.68962.2947.6208.72928.61726.26534.19329.60147.9537.0867.54651.82211.53130.2117.38322.50530.24927.45323.21128.63025.44514.55622.77217.86116.86217.04315.68422.52039.04127.28217.22938.66629.23119.73125.5159.10025.29010.23133.4321.86627.38420.27941.07827.890-0.40951.141	23.05721.16246.20828.15317.75335.17218.7738.77817.44231.71119.42847.15916.54039.2116.53318.03731.92046.77915.85720.91933.16941.24521.16924.9987.87622.70530.52S17.24619.76338.19219.14218.10440.73140.77719.50720.35121.53220.01238.96229.89217.95240.88937.96051.1824.27032.77622.95733.9449.62321.44741.7572.70623.8601.59922.06132.19820.575	-7.3199.955-18.058-21.781-5.278-37.22210.193-19.462-13.7968.223-2.871-17.51220.801-26.530-22.328-15.201-35.098-6.234-12.9036.116-35.915-28.17610.16618.405-18.957-16.223-39.29619.250-7.628-17.03311.159-5.960-31.242-1.182-3.772-3.850-4.90-3.387-12.047-10.0309.233-6.249-6.951-17.965.49620.719-11.349-36.580-25.075-16.349-25.2993.67231.927-2.688-7.22310.000-4.771	1.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	21.7631.9937.4058.2437.6380.2117.4060.8952.6238.9957.9240.4265.8728.6145.7538.8248.3330.1139.5343.6235.7446.9236.5737.7642.6529.4484.8434.3230.1061.628.5434.5951.2457.7358.3357.8655.3257.0751.7341.7023.5339.0615.8857.2252.9732.8936.5452.2261.8043.4851.8945.3558.7366.7425.6760.1740.21	WWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWW	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOCOOOOOOOOOOOOOOOOOOOOO

原子	111	O	HOH W	132	6.468	4.695	9.645	1.00	41.21	W	O
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	112113114115116117118119120121122123124125126127128129130131132133134135136137138139140141142143144145146147148149150151152153154155156157158159160161162163164165166167168	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	133134135136137138139140141142143144145146147148149150151152153154155156157158159160162163164165166167168169170171172173174175176177178179180181182183184185186187188189190	18.72427.27938.21833.55721.8418.35836.25014.52241.877-8.16026.21529.54121.58429.86913.95127.87726.41623.22428.64516.90339.82013.15826.91210.72426.4619.09738.73647.7444.24224.2481.87523.2019.07317.7685.3194.78952.5209.46829.82038.8935.62233.49518.18431.79934.39924.8581.3979.96328.75124.24730.02419.6066.3814.753-6.200-4.23838.851	33.0030.80422.91114.77915.73625.56332.37347.01124.82337.73540.16117.39135.07410.10238.77134.05816.24730.26323.12644.5409.62537.24816.50540.08516.91619.53329.78221.15012.62031.46117.47119.07232.0443.26819.88812.57516.08543.07734.18923.89217.30217.75810.59822.47932.65326.22233.45342.73450.98222.07435.70338.57915.56812.39538.32839.0971.691	-42.4960.100-3.112-12.89625.138-38.0290.2634.461-5.1741.634-15.651-21.724-10.468-20.72016.24822.762-19.989-7.083-10.736-18.6605.54811.97524.205-33.855-17.394-31.246-22.0019.799-9.69032.390-2.034-7.52827.336-0.13420.24110.48515.667-23.53910.5250.109-28.546-16.7039.953-20.935-24.587-38.055-24.662-11.930-11.155-6.41520.242-0.4317.9565.5335.6704.501-5.201	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	55.2762.9533.5829.8436.7429.3364.5645.2942.5367.2358.6651.6156.4850.3739.6643.9232.1745.2446.0252.1328.3748.5832.3135.1157.0766.1847.1546.1557.2462.8450.9355.2247.9256.2854.5566.2647.8245.3539.4921.1861.2951.3869.6541.1731.2963.5844.8443.1533.2739.8238.5325.9855.3574.6555.2067.7350.58	WWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWW	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	169	O	HOH W	191	25.790	20.129	-3.693	1.00	26.12	W	O
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原子	227	OE2	GLU A	7	44.011	15.640	11.529	1.00	59.43	A	O
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原子	285	N	VAL A	14	40.475	16.494	-0.100	1.00	9.07	A	N
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	286287288289290291292293294295296297298299300301302303304305306307308309310311312313314315316317318319320321322323324325326327328329330331332333334335336337338339340341342	CACOCBCG1CG2NCACOCBCGCDNECZNH1NH2NCACOCBCG1CG2CD1NCACOCBNCACOCBNCACOCBCGND1CD2CE1NE2NCACOCBCGCD1CD2NCACO	VAL AVAL AVAL AVAL AVAL AVAL AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AILE AILE AILE AILE AILE AILE AILE AILE AALA AALA AALA AALA AALA AALA AALA AALA AALA AALA AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU APRO APRO APRO APRO A	141414141414151515151515151515151516161616161616161717171717181818181819191919191919191919202020202020202021212121	39.92939.35838.28840.98440.35641.49940.06739.54538.24737.24240.57341.93342.93044.00544.62145.57544.26538.25237.01935.87534.79137.05838.10835.68838.47736.04034.90934.53033.51335.17835.38535.09733.87233.13936.25033.63132.54931.24330.28733.08434.00833.60135.31934.62635.68031.20930.01529.56330.37530.22030.96331.46030.05228.33927.74428.15128.152	17.50518.63719.10518.15819.34617.17719.08320.13119.69520.43020.49821.04321.31422.24223.05423.88423.06018.52418.11918.10818.52716.71716.54716.38715.03417.54317.60119.00519.25916.83119.94621.31821.75222.61722.23621.06421.37720.57920.69221.08122.14323.10822.38823.87423.46919.75518.99619.04919.28117.54317.34015.94417.60418.59018.52717.18716.157	0.809-0.0140.2711.6912.3882.780-1.052-1.918-2.554-2.523-2.992-2.408-3.565-3.205-4.068-3.656-5.339-3.202-3.813-2.809-3.159-4.332-5.439-4.705-5.803-1.615-0.630-0.2480.4410.581-0.601-0.172-0.956-0.532-0.428-2.054-3.013-2.799-3.586-4.421-4.968-5.870-4.736-6.198-5.510-1.738-1.3770.0770.977-1.729-3.041-3.060-4.1820.3151.6652.3241.663	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	6.7113.5421.529.585.129.775.833.0011.015.695.9520.3237.0060.0768.5656.5541.167.943.0012.3718.783.003.003.0018.689.7011.8317.5016.5312.9915.8916.0021.8225.7515.5319.5720.3421.1618.9222.0025.5225.9427.8424.9626.4917.5114.3016.9419.8813.3316.4614.4723.3510.7310.8523.0026.69	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCOCCCNCCOCCCNCNNNCCOCCCCNCCOCNCCOCNCCOCCNCCNNCCOCCCCNCCO

原子	343	CB	PRO A	21	26.237	18.458	1.341	1.00	11.59	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	344345346347348349350351352353354355356357358359360361362363364365366367368369370371372373374375376377378379380381382383384385386387388389390391392393394395396397398399400	CGCDNCACOCBCGOD1OD2NCACOCBCGCD1CD2NCACOCBCG1CG2CD1NCACOCBCG1CG2NCACOCBCGCD1CD2CE1CE2CZOHNCACONCACOCBCGND1CD2	PRO APRO AASP AASP AASP AASP AASP AASP AASP AASP ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AGLY AGLY AGLY AGLY AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS A	212122222222222222222323232323232323242424242424242425252525252525262626262626262626262626272727272828282828282828	26.15027.43728.52128.62227.48327.60328.61429.56930.63929.28926.39425.33925.79025.14024.09823.07922.66221.85626.87127.32328.68529.01027.48926.10628.27325.46829.47830.81230.80631.49031.61932.88331.90930.00429.95528.71628.27230.10631.22730.97032.51031.94033.49033.20034.17428.17726.99827.35827.09327.95428.30027.01226.71129.19130.50330.62631.756	17.73218.00117.19215.94714.95313.77716.28717.41717.51518.16715.40414.44213.46612.42915.15214.13113.39914.73313.84213.13512.58411.42214.09414.46913.42013.30113.41212.95111.68010.70114.05813.50315.13811.66210.4579.6138.88010.79711.77113.09611.32413.96112.19313.50814.3979.6918.9127.4546.5837.1805.8054.9874.2045.2175.9227.1335.574	0.085-0.6983.6024.3904.0624.2865.8766.2125.5287.1793.4553.0602.0031.7522.5512.0243.2461.2861.3230.1250.4600.172-1.035-1.563-2.184-2.2451.1311.5432.3702.0372.1752.7321.1243.4244.2303.9904.8595.6976.0166.1836.2976.5866.6896.8447.2842.7882.4452.1903.0211.0370.7090.6341.5341.8221.9922.6441.605	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	12.568.5221.1019.4322.5422.7221.1725.8516.1926.3418.3416.9224.7624.5616.8022.9224.1020.7022.5121.8329.0330.8924.6024.5824.2512.2023.0319.2328.8131.1715.1613.5612.9127.3628.7937.5837.5829.2129.4031.0928.2130.4726.7629.7427.9138.8540.4749.9549.9350.8153.6356.7456.9856.7162.0964.6664.85	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCNCCOCCOONCCOCCCCNCCOCCCCNCCOCCCNCCOCCCCCCCONCCONCCOCCNC

原子	401	CE1	HIS A	28	31.897	7.502	2.645	1.00	64.28	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	402403404405406407408409410411412413414415416417418419420421422423424425426427428429430431432433434435436437438439440441442443444445446447448449450451452453454455456457458	NE2NCACOCBCGCD1CD2CE1CE2CZNCACOCBOGNCACOCBCGCDNCACOCBCGCDOE1OE2NCACOCBCGCDNECZNH1NH2NCACOCBCGCDNCACOCB	HIS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ASER ASER ASER ASER ASER ASER APRO APRO APRO APRO APRO APRO APRO AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG APRO APRO APRO APRO APRO APRO APRO APHE APHE APHE APHE APHE A	282929292929292929292929303030303030313131313131313232323232323232323333333333333333333333343434343434343535353535	32.60326.24024.96425.03825.97523.84724.33123.95325.15424.37325.59325.20024.03624.05024.51424.64822.68722.18724.81225.36324.27524.56826.22125.57225.13823.01921.98221.66421.92320.72419.88020.20919.53321.16621.16820.57419.26319.23121.43122.79122.70924.04824.56723.85425.80418.19418.32318.56318.57716.93616.04916.87118.75518.95118.23618.33920.423	6.5715.1944.5143.5813.6665.5316.9447.9247.2949.2178.5929.5512.7131.6752.2233.4421.0050.5641.3271.7421.9972.3910.543-0.623-0.0751.7711.8693.3324.1831.0631.6250.9761.2790.1783.6204.8944.5033.6255.6285.9016.7887.0526.4745.6246.7725.1546.2275.6104.3886.8725.8585.1646.4475.9256.8168.0395.856	2.028-0.427-0.578-1.758-2.551-0.794-0.951-0.042-2.006-0.189-2.145-1.234-1.896-2.929-4.270-4.452-3.068-1.811-5.198-6.489-7.540-8.682-6.901-6.218-4.882-7.172-8.178-8.409-7.553-7.825-6.686-5.363-4.357-5.328-9.605-9.928-10.547-11.407-10.956-10.442-9.222-8.715-7.643-6.918-7.288-10.099-9.116-7.771-7.634-9.117-9.712-10.730-6.769-5.443-4.463-4.525-5.076	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	64.7151.0149.1452.2350.6150.0949.2349.0149.2648.3150.6047.7450.9551.4657.9659.1456.9769.5154.0353.2457.2257.0654.6359.3654.5852.3351.4052.7954.3953.0364.0977.2873.2659.3543.1339.5941.9739.0832.0526.8345.5949.2460.5541.3852.8039.9740.1747.1947.7341.4444.5539.6845.1046.0853.6553.7247.91	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	NNCCOCCCCCCCNCCOCONCCOCCCNCCOCCCOONCCOCCCNCNNNCCOCCCNCCOC

原子	459	CG	PHE A	35	20.641	5.711	-3.615	1.00	50.01	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	460461462463464465466467468469470471472473474475476477478479480481482483484485486487488489490491492493494495496497498499500501502503504505506507508509510511512513514515516	CD1CD2CE1CE2CZNCACOCBCGSDCENCACOCBCGOD1OD2NCACOCBCGCD1CD2CE1CE2CZOHNCACOCBCGCD1CD2CE1CE2CZNCACOCBCGOD1OD2NCACON	PHE APHE APHE APHE APHE AMET AMET AMET AMET AMET AMET AMET AMET AASP AASP AASP AASP AASP AASP AASP AASP ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP AGLY AGLY AGLY AGLY AVAL A	353535353536363636363636363737373737373737383838383838383838383838393939393939393939393940404040404040404141414142	20.54320.76920.69820.92320.87417.52916.70016.90416.85215.24014.95713.73214.75717.16817.19916.22715.88218.59018.87517.93620.04315.78414.78315.17715.95413.40413.05513.63512.09713.29311.74612.33611.98414.65815.03014.26813.35416.53517.06416.89017.76117.37518.24418.03914.65613.92914.97116.08813.17211.92610.86112.03614.61515.58414.86213.70815.537	4.4706.8274.3396.6965.4536.1946.9456.4995.3096.7967.3406.3745.2917.4787.2748.2609.2417.5546.7696.1136.7547.9978.8299.0818.3228.1647.6006.4248.2145.8897.6866.5175.97810.16010.54211.80712.17710.78011.69113.05011.17913.87112.01513.34612.47613.63814.66814.32513.31112.50412.91411.41215.93816.94818.25618.28719.282	-3.013-2.813-1.639-1.442-0.857-3.535-2.620-1.189-0.871-3.030-4.419-5.289-6.195-0.3391.0891.6811.0501.6372.8893.3983.3262.9013.5254.9765.5763.4302.0421.5791.2310.341-0.012-0.448-1.6785.5416.8857.2266.4826.9605.8745.9484.7984.9753.8273.9188.3148.8129.1749.51710.1009.86010.3769.2559.1169.4879.4348.9869.970	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	54.6151.9255.4154.9152.7151.2250.5449.6449.1853.7657.8562.3758.9743.5542.1544.9245.8344.4963.3466.7369.7339.8638.2037.5638.7440.5644.0946.6444.7249.4145.7156.9161.6827.8624.3926.7826.3425.7726.1326.3727.3124.8627.5623.7322.0624.0933.0734.4226.4546.6148.5451.9932.0032.4235.6333.1131.36	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCCCCNCCOCCSCNCCOCCOONCCOCCCCCCCONCCOCCCCCCCNCCOCCOONCCON

原子	517	CA	VAL A	42	15.224	20.698	9.810	1.00	30.94	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	518519520521522523524525526527528529530531532533534535536537538539540541542543544545546547548549550551552553554555556557558559560561562563564565566567568569570571572573574	COCBCG1CG2NCACOCBCGCD1CD2NCACOCBCGSDCENCACOCBCGCD1CD2CE1CE2CZNCACOCBCG1CG2NCACOCBCGOD1OD2NCACOCBCG1CG2CD1NCA	VAL AVAL AVAL AVAL AVAL ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AMET AMET AMET AMET AMET AMET AMET AMET APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASP AASP AASP AASP AASP AASP AASP AASP AILE AILE AILE AILE AILE AILE AILE AILE ASER ASER A	424242424243434343434343434444444444444444454545454545454545454546464646464646474747474747474748484848484848484949	15.99017.17815.64215.20415.09515.33415.87815.82614.93015.11715.38314.47916.81816.82616.94917.21318.17018.12018.38019.86919.81016.32116.54716.93816.10915.26515.47816.10315.06916.35115.28815.93718.19418.56318.61619.20919.82820.30519.55117.95117.76318.80718.63016.37416.14016.89015.15719.87221.09721.05922.07522.31622.44922.15423.52219.85019.597	21.35421.07721.45622.88120.78122.27122.81024.33424.89722.28020.86920.58020.55424.98726.44226.83526.37626.92328.43929.12928.28427.63428.19229.63230.43328.17528.14727.05529.19327.01829.15828.05429.97631.38332.01831.47631.62433.06031.34733.16033.83034.91636.03534.45635.29235.12536.06834.58435.38936.14636.60434.48233.73233.42634.30436.25236.931	8.6468.43211.06610.98712.2877.9396.6906.7307.3245.4754.8903.7314.5146.1356.0984.6614.0656.9666.8917.7489.3574.0922.7872.9663.3662.0050.527-0.062-0.265-1.411-1.614-2.1922.7012.7241.3420.4053.5063.3094.9261.218-0.072-0.2220.289-0.120-1.372-2.358-1.382-0.948-1.017-2.330-2.865-0.991-2.3190.079-3.231-2.851-4.097	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	37.3739.6232.3531.3731.5132.0931.4739.2241.9529.8533.1031.9330.5135.3534.0033.8033.0136.5941.0246.9544.1629.3930.0838.5040.2732.1534.5638.4837.8339.8642.4640.8234.5033.7741.3340.6435.6134.2835.3741.2040.8943.4644.1543.4052.2952.9152.2738.8837.4046.3046.6238.4039.1935.7152.2244.6944.45	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	COCCCNCCOCCCCNCCOCCSCNCCOCCCCCCCNCCOCCCNCCOCCOONCCOCCCCNC

原子	575	C	SER A	49	19.989	38.382	-4.029	1.00	48.42	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	576577578579580581582583584585586587588589590591592593594595596597598599600601602603604605606607608609610611612613614615616617618619620621622623624625626627628629630631632	OCBOGNCACONCACOCBCGCD1CD2CE1CE2CZNCACOCBOG1CG2NCACOCBNCACOCBCGSDCENCACOCBOG1CG2NCACOCBCGCDOE1OE2NCAC	SER ASER ASER AGLY AGLY AGLY AGLY APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ATHR ATHR ATHR ATHR ATHR ATHR ATHR AALA AALA AALA AALA AALA AMET AMET AMET AMET AMET AMET AMET AMET ATHR ATHR ATHR ATHR ATHR ATHR ATHR AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALYS ALYS ALYS A	494949505050505151515151515151515151525252525252525353535353545454545454545455555555555555565656565656565656575757	20.27118.11217.66719.95420.26821.66221.86422.61424.00624.19724.92024.98624.70924.75924.39224.45024.11224.14523.52923.64523.33724.07522.95421.53923.31822.28922.04123.26423.23020.94924.32825.53226.21727.07926.54226.20727.14427.30725.85526.43026.26427.12925.70225.86826.23025.15824.87525.72426.21123.38322.48022.97923.46622.92725.93226.68828.136	38.98136.84138.10138.95940.37640.69041.68939.81539.98339.68640.40139.14239.17540.36038.02240.38138.04239.21638.66238.38939.56939.81037.09737.28835.95040.33041.56542.46043.31742.36242.30043.11842.77143.48942.94143.68442.95841.20841.63641.24742.42542.69840.02738.92839.65143.14244.26145.45646.23244.60643.45542.83241.67643.52145.55346.62646.655	-5.052-4.445-4.894-2.834-2.646-3.162-3.864-2.837-3.264-4.747-5.431-2.422-0.948-0.236-0.2771.1151.0781.770-5.262-6.682-7.609-8.561-7.114-7.120-6.160-7.332-8.079-8.337-9.229-7.431-7.555-7.765-9.079-9.542-6.631-5.349-3.952-4.461-9.655-10.918-11.888-12.722-11.465-10.558-12.863-11.747-12.630-12.223-13.065-12.589-13.064-14.364-14.328-15.408-10.918-10.303-10.788	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	48.4347.6756.1946.5546.0651.6250.8349.9650.5255.2756.2252.2352.8955.7553.6156.0155.7753.5049.8948.9952.5255.0457.4158.3652.8745.4843.3547.2348.3443.7441.2440.0339.3933.1842.6847.1051.8048.2038.3238.6145.1345.2648.5346.7151.0042.9543.8248.3249.0645.4656.2873.2162.0963.3742.3440.4846.03	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	OCONCCONCCOCCCCCCCNCCOCOCNCCOCNCCOCCSCNCCOCOCNCCOCCCOONCC

原子	633	O	LYS A	57	28.709	47.728	-10.968	1.00	46.32	A	O
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	634635636637638639640641642643644645646647648649650651652653654655656657658659660661662663664665666667668669670671672673674675676677678679680681682683684685686687688689690	CBCGCDCENZNCACOCBCGCD1CD2CE1CE2CZNCAOCBOGNCACOCBOGNCACOCBNCACOCBCGSDCENCACOCBCGCD1CD2CE1CE2CZOHNCACO	LYS ALYS ALYS ALYS ALYS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ASER ASER ASER ASER ASER ASER ASER ASER ASER ASER ASER ASER AALA AALA AALA AALA AALA AMET AMET AMET AMET AMET AMET AMET AMET ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AMET AMET AMET AMET A	575757575758585858585858585858585959595959596060606060606161616161626262626262626263636363636363636363636364646464	26.63427.83827.66328.97528.81528.72330.10930.11231.03630.70530.79229.76031.89129.80231.94830.86429.03828.98829.52529.97527.55227.52929.50729.89031.40332.20129.36830.37431.80133.21533.90335.09233.37933.14733.72434.79735.79932.62832.87431.32930.98634.56735.40636.60337.36234.57033.71432.34734.30431.56533.54732.18231.44836.79537.83037.69036.578	46.46447.07247.14447.53248.20345.46445.25744.99544.40144.04644.22543.81644.84344.06445.07244.74745.41345.35646.67646.73745.12044.37747.72449.06749.22448.92850.14650.62949.73749.97950.76251.05050.70951.15151.85250.95751.43652.10153.27353.66352.11149.64948.63948.22647.31547.42647.76547.95548.09348.34148.50448.63249.03348.95648.64747.14246.613	-8.774-8.056-6.537-5.840-4.528-10.930-11.374-12.857-13.407-10.671-9.204-8.382-8.650-7.030-7.293-6.490-13.497-14.937-15.473-16.608-15.405-16.614-14.647-15.098-15.314-14.424-14.126-13.245-16.472-16.750-15.635-15.699-18.082-14.628-13.503-12.888-12.345-12.486-11.605-10.808-9.964-12.992-12.340-13.180-12.807-11.904-10.717-10.849-9.504-9.760-8.429-8.556-7.462-14.277-15.224-15.478-15.456	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	40.6541.1651.1252.0759.1942.8241.2248.1847.9641.1641.3243.0441.6542.7243.5841.6048.2950.0858.0859.9554.7167.4755.7756.5864.1066.1058.8758.7360.3960.1863.5163.2760.9660.3360.5161.1260.2863.6868.7074.6271.7455.1453.5453.9254.8253.4352.8053.9852.9553.4853.4058.9456.9544.2540.9145.2046.25	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCCCNNCCOCCCCCCCNCCOCONCCOCONCCOCNCCOCCSCNCCOCCCCCCCONCCO

原子	691	CB	MET A	64	39.178	49.095	-14.653	1.00	42.12	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	692693694695696697698699700701702703704705706707708709710711712713714715716717718719720721722723724725726727728729730731732733734735736737738739740741742743744745746747748	CGSDCENCACOCBCGOD1OD2NCACOCBCGCDNECZNH1NH2NCACONCACOCBNCACOCBCGCDOE1OE2NCACOCBCGCDOE1NE2NCACOCBCGCD1CD2	MET AMET AMET AASP AASP AASP AASP AASP AASP AASP AASP AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AGLY AGLY AGLY AGLY AALA AALA AALA AALA AALA AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU A	646464656565656565656566666666666666666666666767676768686868686969696969696969697070707070707070707171717171717171	39.08840.41439.49538.76138.52138.51038.65039.41839.29740.36138.18238.27638.20236.82636.72539.30940.71341.75041.83141.30640.64341.43835.75734.42634.34933.85234.86234.64835.28634.62635.37336.56137.44837.09537.44638.88439.42939.13138.49539.58436.52436.08034.75934.51835.80536.97936.86736.72036.91233.85932.56632.55431.72831.75630.56929.64129.753	50.54351.18652.09846.42145.05444.03442.83344.61845.54145.80546.00244.46943.47743.27242.92543.68543.75444.14143.21343.44544.57242.54743.44843.20241.77041.54140.82139.41639.19038.80738.57539.58139.30940.18139.83039.65138.79239.29540.35138.64241.36842.20941.66441.64243.65344.59145.73246.89145.41041.33240.74939.49439.38240.50939.56639.98639.423	-14.099-13.029-11.887-15.709-16.119-14.996-15.247-17.284-18.519-19.104-18.899-13.760-12.696-12.045-10.853-11.687-12.321-11.256-10.114-8.912-8.691-7.928-12.820-12.275-11.727-10.636-12.494-12.222-10.889-9.938-13.279-10.826-9.678-8.463-7.339-10.105-11.225-12.597-12.714-13.564-8.680-7.535-7.018-5.841-7.989-8.089-7.103-7.495-5.813-7.936-7.618-6.745-5.847-8.878-8.705-7.597-9.971	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	43.3144.3840.1340.7740.8342.7842.9543.3850.1753.4243.6036.1033.2841.6345.5622.8823.5819.2221.1329.3124.2814.0934.2331.7930.2028.6622.6222.4425.2225.2922.9817.4915.5121.2326.3116.048.1439.7944.6043.7811.9010.9021.7228.0010.6039.1753.4255.5817.7220.1318.6322.0025.0817.1320.5421.2620.10	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CSCNCCOCCOONCCOCCCNCNNNCCONCCOCNCCOCCCOONCCOCCCONNCCOCCCC

原子	749	N	VAL A	72	33.443	38.550	-6.994	1.00	14.92	A	N
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	750751752753754755756757758759760761762763764765766767768769770771772773774775776777778779780781782783784785786787788789790791792793794795796797798799800801802803804805806	CACOCBCG1CG2NCACOCBCGCDOE1OE2NCACOCBCG1CG2CD1NCACOCBCGCD1CD2NCACOCBCGOD1ND2NCACOCBCGCD1CD2CE1CE2CZOHNCACOCBCG	VAL AVAL AVAL AVAL AVAL AVAL AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AASN AASN AASN AASN AASN AASN AASN AASN ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AHIS AHIS AHIS AHIS AHIS AHIS A	727272727272737373737373737373747474747474747475757575757575757676767676767676777777777777777777777777787878787878	33.43834.10733.75934.31035.69333.83035.09835.72134.58334.15936.72437.50838.54539.51238.40334.00832.97131.88131.89232.35031.56231.53432.46531.06530.11630.59729.89629.80828.67327.29128.85231.78832.38732.55732.25433.71233.52734.46232.28832.99833.22432.02732.16833.42633.74834.56233.22934.84833.42634.23934.48030.84229.61829.02428.27028.58128.925	37.26637.46736.81836.28136.32434.90338.34838.71739.13538.36239.88940.30341.40541.48942.17640.30840.88239.85339.27142.12842.93641.71743.40139.47938.35037.19236.72737.80736.79737.40236.10636.69935.63836.02735.24035.21034.08033.59233.56137.26737.88837.67237.26339.40040.14039.57341.40640.27242.07041.51242.23237.92237.93136.55536.22238.86640.306	-6.262-4.893-3.909-7.011-6.434-6.914-4.836-3.556-2.634-1.799-3.761-2.483-2.705-1.903-3.687-2.860-1.918-1.608-0.553-2.568-1.536-3.804-0.373-2.584-2.475-1.622-0.714-3.869-4.078-3.977-5.431-1.928-1.1190.3301.255-1.714-2.636-3.271-2.6440.5051.8112.7123.8641.6342.9063.8913.1325.0864.3395.3066.4592.1712.9723.0183.9442.3212.448	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	13.5620.2021.5418.0319.6017.5015.7213.7718.4220.8014.5427.6948.9751.8420.139.647.0920.4727.717.283.943.007.1718.9220.0425.3727.3720.6626.5526.1427.1720.6120.5126.1026.4417.5833.6134.455.1721.5521.8732.0735.8121.6323.9925.0226.0526.5827.2139.9343.7527.5325.1029.1631.0724.9427.86	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCOCCCNCCOCCCOONCCOCCCCNCCOCCCCNCCOCCONNCCOCCCCCCCONCCOCC

原子	807	ND1	HIS A	78	29.149	41.111	1.361	1.00	29.92	A	N
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	808809810811812813814815816817818819820821822823824825826827828829830831832833834835836837838839840841842843844845846847848849850851852853854855856857858859860861862863864	CD2CE1NE2NCACOCBCG1CG2CD1NCACOCBOGNCACOCBNCACOCBCG1CG2CD1NCACOCBCG1CG2NCACOCBCGCDOE1OE2NCACOCBCGCDCENZNCA	HIS AHIS AHIS AILE AILE AILE AILE AILE AILE AILE AILE ASER ASER ASER ASER ASER ASER AALA AALA AALA AALA AALA AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AGLU AGLU AGLU AGLU AGLU AGLU AGLU A3LU AGLU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL A	787878797979797979797980808080808081818181818282828282828282838383838383838484848484848484848585858585858585858686	29.13429.50029.53229.23828.73229.46228.84728.75727.65128.53327.28730.77231.50430.94231.04332.92333.30630.42029.92628.59628.20329.77227.86626.68327.07626.72525.84825.37324.66724.48227.80428.28228.87228.33829.29729.62928.76729.87830.48129.48329.82231.41132.09333.54434.19934.01428.30227.26726.56026.15526.19926.66526.60027.42927.54526.27125.443	41.07542.31642.31035.79934.45033.52332.70133.90934.53732.40933.58033.66233.03333.19932.29533.50333.59334.35934.55733.86433.38236.02433.82733.00131.53530.94133.23534.68032.31435.00830.95029.57329.37828.60729.14227.67929.40330.15330.00229.96529.474131.16531.142131.529131.833131.54630.54830.446129.138128.531131.537132.941133.130134.340134.488128.74527.572	3.5401.7763.0951.9501.9082.8853.5340.526-0.2890.521-1.3282.9904.0935.5146.3294.0802.7445.8557.2157.3378.3887.4976.2436.2356.4007.3975.0395.0205.0513.7755.4395.6107.0067.7824.5404.7213.1287.3858.7339.8990.9849.0180.3530.1981.2119.0389.7310.8020.7071.7030.6581.1002.6123.0334.5259.4899.345	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	30.9530.9331.2523.5922.2328.7331.3523.2220.6421.8421.2923.4623.0232.1136.5323.2835.1125.5424.3127.8231.3824.3322.0418.5125.7325.4619.0718.3120.6110.4723.7421.5425.8229.0923.5522.6422.1517.6017.8523.5524.4019.7725.7154.4058.7947.8115.7016.9022.1725.8422.0242.3737.6738.9445.8316.5114.22	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCNNCCOCCCCNCCOCONCCOCNCCOCCCCNCCOCCCNCCOCCCOONCCOCCCCNNC

原子	865	C	VAL A	86	26.264	26.395	9.797	1.00	21.89	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	866867868869870871872873874875876877878879880881882883884885886887888889890891892893894895896897898899900901902903904905906907908909910911912913914915916917918919920921922	OCBCG1CG2NCACOCBCGCD1CD2NCACOCBCG1CG2CD1NCACOCBCGCD1CD2CE1CE2CZNCACONCACONCACOCBCGOD1OD2NCACOCBCG1CG2CD1NCA	VAL AVAL AVAL AVAL ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AILE AILE AILE AILE AILE AILE AILE AILE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLY AGLY AGLY AGLY AGLY AGLY AGLY AGLY AASP AASP AASP AASP AASP AASP AASP AASP AILE AILE AILE AILE AILE AILE AILE AILE ALEU ALEU A	868686868787878787878787888888888888888889898989898989898989899090909091919191929292929292929293939393939393939494	25.75324.97624.43323.87227.56228.40128.62728.82929.74429.76331.11729.05328.65928.90327.74928.00829.32530.56529.68331.33326.52625.29325.01223.85624.07124.15125.09723.28025.20023.38724.36426.04825.95624.98924.33624.92924.15625.04826.26824.43725.11424.57423.37524.57025.49025.08026.65425.42224.93624.87525.89925.87025.44725.88626.58723.67523.582	25.46227.41726.02228.47426.44925.30225.17824.09325.37625.12525.23123.86926.30626.30825.84725.13627.66728.15327.56929.20826.35525.76724.42823.96026.70728.05828.99528.37430.19629.58130.51323.83422.42422.05721.00522.87022.51621.95021.89221.49920.91521.77921.77819.48818.71617.64519.14922.50623.36522.51222.19424.61325.70225.16726.34122.13721.075	10.3837.9327.7247.6489.5829.93511.44011.9499.1907.7027.0127.26312.14713.56614.47415.46614.04413.29115.50214.06014.23214.76814.07413.99714.49015.19714.81316.24215.43616.89216.47413.49313.09311.96512.02710.9009.6808.5908.7817.4856.2905.1704.9635.9274.9834.4594.7914.4603.4042.1221.5423.2754.2641.8964.9331.6750.667	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	26.0017.5617.8717.1115.9913.5322.3625.329.439.077.733.0019.4517.5425.5726.5922.0524.5023.2433.7919.7418.6727.3926.5321.7621.8419.4223.4718.6425.6721.4527.5927.0632.2432.4326.5521.9420.0016.6813.1715.2719.9020.2414.9627.8428.6435.9116.0216.1624.0924.7219.0819.8215.7424.3619.6216.38	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	OCCCNCCOCCCCNCCOCCCCNCCOCCCCCCCNCCONCCONCCOCCOONCCOCCCCNC

原子	923	C	LEU A	94	23.786	21.639	-0.698	1.00	19.23	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	924925926927928929930931932933934935936937938939940941942943944945946947948949950951952953954955956957958959960961962963964965966967968969970971972973974975976977978979980	OCBCGCD1CD2NCACOCBCGCDCENZNCACOCBCGCD1CD2CE1CE2CZNCACOCBNCACONCACOCBCGOD1OD2NCACOCBNCACOCBCGCD1CD2NCA	LEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AALA AALA AALA AALA AALA AGLY AGLY AGLY AGLY AASP AASP AASP AASP AASP AASP AASP AASP AALA AALA AALA AALA AALA ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU A	949494949495959595959595959596969696969696969696969797979797989898989999999999999999100100100100100101101101101101101101101102102	24.10222.19721.53720.14722.27723.45223.59923.65123.37622.56221.33820.45521.04520.21024.12223.99823.27923.91625.39126.28226.87526.51927.70527.33627.93521.97521.21520.25320.36620.56219.28318.46519.39420.46918.98019.94419.78919.45119.55919.88720.99219.07019.99319.82820.77521.36118.39120.87221.61520.64819.90022.46123.93024.06724.56720.70119.814	20.90320.42919.96619.63218.73922.90623.50624.99925.63122.99122.40921.80720.54720.12025.54126.97727.02226.75027.57127.55026.38128.70226.35128.68227.49927.29926.91727.93128.28325.55728.40729.47230.67030.63331.74032.65832.39833.29334.09334.44634.07535.17631.14930.75429.67428.92730.31029.57928.51627.59728.05529.09229.29530.67029.16026.30925.308	-1.6340.6681.9541.6692.483-0.875-2.206-2.207-1.180-3.202-2.596-3.658-4.264-5.425-3.326-3.661-5.015-6.040-3.906-2.713-2.305-1.996-1.169-0.874-0.466-5.047-6.244-6.851-8.028-6.081-6.091-6.654-6.700-7.286-6.061-5.535-4.041-3.273-5.901-7.357-7.829-7.993-3.644-2.250-1.774-2.553-1.988-0.4570.1940.8701.7101.3051.0620.5472.4130.5451.156	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	16.6814.5616.1512.3920.7120.9122.2129.1927.6023.8729.5224.3214.2714.1728.6431.2042.9943.1032.5032.3634.5733.8535.0036.0133.4742.9243.7451.1851.2844.2849.0948.7352.7054.9446.0143.9946.0548.8345.6852.9750.1057.9339.3638.3737.7736.5339.2733.1632.4429.8429.1632.2535.5434.6340.0425.1524.95	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	OCCCCNCCOCCCCNNCCOCCCCCCCNCCOCNCCONCCOCCOONCCOCNCCOCCCCNC

原子	981	C	LEU A	102	20.647	24.547	2.121	1.00	30.50	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	982983984985986987988989990991992993994995996997998999100010011002100310041005100610071008100910101011101210131014101510161017101810191020102110221023102410251026102710281029103010311032103310341035103610371038	OCBCGCD1CD2NCACOCBNCACOCBCGCD1CD2NCACOCBCGCD1CD2NE1CE2CE3CZ2CZ3CH2NCACOCBCGCDNECZNH1NH2NCACOCBCG1CG2NCACOCBCGCD	LEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AVAL AVAL AVAL AVAL AVAL AVAL AVAL AGLU AGLU AGLU AGLU AGLU AGLU AGLU A	102102102102102103103103103103104104104104104104104104105105105105105105105105105105105105105105106106106106106106106106106106106107107107107107107107108108108108108108108	21.61319.32118.40317.20417.98420.26420.99320.16518.91721.49520.85220.15020.74421.95720.07619.64218.16919.96919.87820.15219.43518.24019.57520.48321.33220.67722.04521.67620.16622.15720.59821.55220.14319.57019.62620.64720.35419.83420.59319.96020.32721.29719.72318.52918.37717.27516.59017.96516.55118.92917.14216.06014.80514.90916.50215.32615.465	23.90124.30123.20723.88222.30424.58423.87622.77222.77924.87621.83220.72220.28620.08719.51218.29918.39017.00520.20519.54418.20618.13620.36721.47721.44622.75922.62823.43923.36024.69124.65125.30917.15415.82115.29515.43714.90213.51012.69311.39310.49710.7809.31414.70414.42013.38413.09715.69115.57516.01612.80111.86612.60613.59110.95110.24210.103	1.7170.1040.6511.197-0.4293.3854.4525.1235.0855.5035.7796.4197.7597.8685.4926.3156.6545.6068.77010.0449.99810.26111.19411.65912.72211.02812.80011.7609.86011.3799.52910.3099.6099.62711.04311.7258.7208.6737.6667.4716.5625.7176.50011.49512.90813.03212.04713.66314.14214.79214.22914.56715.03815.77715.71416.37517.881	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.00	32.1624.1123.4621.8921.0828.6328.7133.8533.7729.3028.4225.4936.7339.7922.8321.3421.457.4532.6531.4337.1338.0029.3830.7733.4931.0333.1434.0932.6533.4533.1733.5834.1334.9245.1646.8530.7531.4116.8431.9857.1948.0654.6642.6341.8449.5851.1743.2742.5842.7446.3145.8846.4944.3447.7366.9195.15	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	OCCCCNCCOCNCCOCCCCNCCOCCCCNCCCCCNCCOCCCNCNNNCCOCCCNCCOCCC

原子	1039	OE1	GLU A	108	14.418	9.951	18.548	1.00	92.40	A	O
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	104010411042104310441045104610471048104910501051105210531054105510561057105810591060106110621063106410651066106710681069107010711072107310741075107610771078107910801081108210831084108510861087108810891090109110921093109410951096	OE2NCACOCBCGCDNECZNH1NH2NCACOCBCGCDCENZNCACOCBCGCDOE1NE2NCACOCBCGCD1CD2NCACOCBCGCDCENZNCACOCBCGOD1ND2NCA	GLU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AASN AASN AASN AASN AASN AASN AASN AASN AILE AILE A	108109109109109109109109109109109109110110110110110110110110110111111111111111111111111111112112112112112112112112113113113113113113113113113114114114114114114114114115115	16.60913.63112.35312.25412.05811.16010.91610.3229.8939.6879.9019.27312.47212.38413.14512.88612.90911.99512.38811.45511.69314.05414.98014.77315.32016.40716.79016.72517.03016.31113.98313.47513.10613.39412.23012.38811.47713.83912.43111.98913.18813.43911.35410.9289.7469.1957.72513.98315.11215.98116.52916.00715.28414.77015.22916.14517.064	10.14712.09912.77013.35514.56011.86911.64710.29410.1288.9467.8348.87212.52612.99214.29915.05011.94910.7479.9428.7458.01314.58815.69516.93017.98915.20214.41615.26616.45714.66016.78217.89319.08720.23017.45716.61817.23716.67718.81719.87220.73921.74019.25020.22019.62620.53620.30920.28721.05221.69722.76020.13419.47820.14318.15520.99221.371	18.39314.65214.95216.36116.52114.65013.16012.90111.51610.94411.6369.68417.38018.76318.95419.89919.75519.96621.21821.43222.71218.02318.19717.33817.63418.15619.41220.66920.64421.77116.27815.48316.34816.00014.72213.46012.43312.95617.45918.35418.69118.03719.59720.67921.43222.50522.57719.64020.14619.07519.28720.96522.10323.01122.06117.95716.893	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	91.3442.9342.7246.7946.3042.6949.9958.9169.2689.0382.3275.0841.9741.5645.8545.5744.2771.5783.7995.3804.6740.9939.7341.5442.9941.5351.6478.3173.2979.1335.0633.0443.0445.9431.9135.6135.9940.9740.2939.0339.3639.9940.6252.0163.8568.1578.1834.2434.2638.1036.4340.3361.8254.7654.3635.9336.34	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	ONCCOCCCNCNNNCCOCCCCNNCCOCCCONNCCOCCCCNCCOCCCCNNCCOCCONNC

原子	1097	C	ILE A	115	16.532	22.574	16.139	1.00	41.39	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	1098109911001101110211031104110511061107110811091110111l1112111311141115111611171118111911201121112211231124112511261127112811291130113111321133113411351136113711381139114011411142114311441145114611471148114911501151115211531154	OCBCG1CG2CD1NCACOCBCG1CG2CD1NCACOCBOG1CG2NCACOCBCG1CG2NCACOCBCG1CG2NCACOCBCG1CG2CD1NCACOCBCGCDCENZNCACOCBSG	ILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ACYS ACYS ACYS ACYS ACYS ACYS A	115115115115115116116116116116116116116117117117117117117117118118118118118118118119119119119119119119120120120120120120120120121121121121121121121121121122122122122122122	17.27017.21518.01217.78519.41915.24714.52514.93115.20113.01612.49712.33411.27415.06715.48116.92517.33515.37214.08115.55217.73019.10319.06619.69019.95821.31020.14518.28818.18417.62017.97817.36317.45817.84416.73216.03716.99416.98514.80113.59514.57712.34917.84118.86919.86420.27519.60420.66320.05621.03522.40820.21221.15920.62021.30721.42422.547	23.50920.20619.06120.69319.42222.51723.66824.92425.94223.46722.86524.75822.02324.82425.96926.36227.50025.64025.06726.89025.39225.70026.46227.50724.44924.84523.75325.96626.66528.08328.97325.89726.59024.47328.29229.56230.56631.73229.49529.06930.84228.61430.09830.9S231.39632.57130.20031.03532.02533.11832.53330.43930.59831.50432.40529.22229.226	15.85015.88816.52514.56416.90215.80815.28716.02315.42015.38814.09815.71814.24417.32518.12317.84718.10119.60719.87620.42717.42117.04215.74215.61016.85616.28418.20914.78813.51S13.65212.86412.47711.14012.36514.62714.72815.30514，92715.59514.75516.24915.59216.21216.78715.69615.63717.90618.58919.57419.91620.01614.83313.72312.63112.15213.10511.686	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	41.2239.3739.4538.393S．2538.1036.4537.9138.3538.3938.0239.0134.0534.2334.3540.7240.2640.0044.7537.5738.8537.9038.8138.2441.9342.0841.8534.1134.5340.5741.1338.8838.6538.8335.5834.4841.1440.9435.4334.2234.8433.7937.6137.5543.0143.0939.2245.0846.2352.6165.1938.3237.2140.7442.4537.0910.88	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	OCCCCNCCOCCCCNCCOCOCNCCOCCCNCCOCCCNCCOCCCCNCCOCCCCNNCCOCS

原子	1155	N	SER A	123	19.401	31.226	12.196	1.00	33.51	A	N
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	115611571158115911601161116211631164116511661167116811691170117111721173117411751176117711781179118011811182118311841185118611871188118911901191119211931194119511961197119811991200120112021203120412051206120712081209121012111212	CACOCBOGNCACOCBCGCD1CD2NCACOCBCGCDOE1OE2NCACOCBCG1CG2CD1NCACOCBCGND1CD2CE1NE2NCACONCACOCBCGCD1CD2NCACOCB	SER ASER ASER ASER ASER ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AGLY AGLY AGLY AGLY ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU APHE APHE APHE APHE APHE A	123123123123123124124124124124124124124125125125125125125125125125126126126126126126126126127127127127127127127127127127128128128128129129129129129129129129130130130130130	18.73918.73318.98817.34117.38718.54018.45719.81519.93617.64516.21415.76015.32220.85322.19622.68023.46423.16222.90224.06025.16623.86722.20022.47922.02122.76921.87122.66721.91022.05420.80320.33021.19221.54118.84917.92717.79717.05616.90216.44021.55722.42123.66924.37723.96225.23425.20826.24225.50225.98826.45727.11824.00723.83022.92821.91523.183	32.08633.52134.46231.56430.16033.71235.08835.77236.98535.15834.67034.08635.84035.00335.57735.82836.74434.65534.59133.96933.88533.55035.02735.31036.72037.50334.25432.93534.78231.77337.07338.41839.47340.49238.55437.73937.94136.75637.10736.37139.22440.14840.42341.39039.57139.71341.01141.59938.51237.20936.23337.53641.45942.54043.60743.95242.010	11.25911.77411.02810.96710.70713.06513.54613.69913.57214.83414.67916.00614.28713.96013.97412.54512.29114.72316.22816.97916.39618.14211.59810.2039.8319.2389.2369.3147.8278.54710.2169.93910.63110.04510.3279.4748.1159.7927.6288.62411.87912.59611.76812.00810.80010.1079.3099.0129.1809.8248.76810.7698.9788.0198.6047.9986.745	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	32.3939.6940.2933.8338.2637.0136.9742.7446.0036.2838.7138.4439.1037.7636.3040.2638.4537.3942.0862.6045.3655.3937.0437.5042.6143.0540.1939.1639.6834.0235.9132.9939.6639.1631.5733.5234.1635.1533.9935.1038.5438.1946.5449.7243.1043.4450.5651.0642.9545.2243.5146.4849.1049.2759.9858.7949.94	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCOCONCCOCCCCNCCOCCCOONCCOCCCCNCCOCCNCCNNCCONCCOCCCCNCCOC

原子	1213	CG	PHE A	130	23.845	40.784	6.188	1.00	50.18	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	121412151216121712181219122012211222122312241225122612271228122912301231123212331234123512361237123812391240124112421243124412451246124712481249125012511252125312541255125612571258125912601261126212631264126512661267126812691270	CD1CD2CE1CE2CZNCACOCBCGCDOE1OE2NCACOCBOG1CG2NCACOCBCGCDOE1NE2NCACOCBCGCDOE1OE2NCACOCBCGCD1CD2NE1CE2CE3CZ2CZ3CH2NCACO	PHE APHE APHE APHE APHE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATHR ATHR ATHR ATHR ATHR ATHR ATHR AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP AGLU AGLU AGLU AGLU A	130130130130130131131131131131131131131131132132132132132132132133133133133133133133133133134134134134134134134134134135135135135135135135135135135135135135135136136136136	23.12225.20423.72625.81625.06923.30322.47922.78121.98922.67421.68921.89722.95821.00323.94824.36125.26326.13425.11625.97624.12725.04725.87025.20724.31026.51927.87028.87430.03428.44025.65925.29726.40727.15823.98224.14524.75924.93225.06926.51127.43926.69925.48428.41829.23429.17130.25230.06630.73530.78031.74631.77932.25627.44726.90025.63424.513	39.62940.78138.50139.64738.51144.13145.10646.52747.44144.97344.03943.99144.47943.48946.70147.99247.74548.55448.78547.90049.45546.61146.23746.38045.60844.86044.90043.91744.26342.67647.39447.60848.43649.11348.38049.86050.70551.92650.15348.38249.25650.28550.19248.45947.44546.08647.70845.48546.45648.87546.33848.75647.49451.26852.33152.98652.687	5.9885.8885.4885.3975.1859.77310.50010.08810.32312.00612.66514.14414.59014.8569.4918.9917.7957.47510.07210.81011.0277.1355.9934.6194.2536.1796.8916.3126.0496.0723.8832.4851.8472.5462.3802.0153.1252.9214.1990.525-0.185-1.026-1.218-1.057-0.299-0.4280.6820.4251.1251.2482.0812.2052.606-1.519-2.360-1.797-2.237	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	50.4852.3851.1953.9951.3863.2965.8275.7676.0466.8873.7585.0953.6389.4376.2778.3186.3385.8593.8795.4495.0986.4687.9194.9694.1589.36106.49130.43127.12122.4294.4595.54102.70101.76196.91107.70121.12100.79115.70103.05104.85110.16109.04104.43106.08109.09106.27108.74110.36107.78109.85109.50110.20108.80109.38113.78113.53	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCCCCNCCOCCCOONCCOCOCNCCOCCCONNCCOCCCOONCCOCCCCNCCCCCNCCO

原子	1271	CB	GLU A	136	26.681	51.844	-3.797	1.OO	110.82	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	127212731274127512761277127812791280128112821283128412851286128712881289129012911292129312941295129612971298129913001301130213031304130513061307130813091310131113121313131413151316131713181319132013211322132313241325132613271328	CGCDOE1OE2NCACOCBCGCDOE1OE2NCACONCACOCBCGCD1CD2NCACOCBCGOD1OD2NCACOCBCG1CG2CD1NCACOCBCGCDNECZNH1NH2NCACOCB	GLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLY AGLY AGLY AGLY ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AASP AASP AASP AASP AASP AASP AASP AASP AILE AILE AILE AILE AILE AILE AILE AILE AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AVAL AVAL AVAL AVAL AVAL A	136136136136137137137137137137137137137138138138138139139139139139139139139140140140140140140140140141141141141141141141141142142142142142142142142142142142143143143143143	25.61825.52726.27224.71325.82924.73023.61623.70124.17623.13923.76324.83223.19122.56821.44621.80522.90620.87121.05920.99921.71122.39522.55724.02721.95220.13119.94721.19921.94918.73317.45816.47817.45621.44622.32821.69522.04323.78024.53724.51124.15020.70819.88719.47719.68618.65118.94919.45319.97619.26818.00019.83118.89518.45817.02416.45219.421	50.77950.27450.78749.36353.88954.63953.70353.08555.67256.63357.74957.52158.86153.61052.73051.27850.82150.56449.14548.36048.67248.90047.61447.38146.42347.35246.54445.75746.17245.62446.26845.53647.50644.65543.58843.03543.41144.05444.22643.06843.21842.17541.62840.22639.83942.51543.86943.67644.90945.74045.46446.84039.45438.11837.80838.48437.017	-3.951-5.371-6.235-5.622-0.835-0.2310.2251.292-1.221-O.6350.1920.8000.223-0.588-0.294-0.593-O.285-1.208-1.482-0.1720.792-2.199-3.011-3.327-2.280-0.1421.0471.4292.3210.8951.3951.6581.571O.7151.2052.4693.6001.4770.1562.387-0.8852.2443.3112.8901.7453.5104.1495.5536.1306.8887.1707.3733.7993.4213.8274.6723.916	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.OO1.001.001.001.001.OO1.001.OO1.001.OO1.001.001.001.001.001.OO1.001.001.001.001.001.OO1.001.001.001.001.OO1.001.001.001.00	121.14143.09138.44137.71109.41108.52109.88108.84110.08122.16147.14143.80142.71105.01103.89104.66104.2998.7997.5797.2397.O197.66102.09101.96104.6389.2286.5484.3884.2288.1597.9598.19104.3374.9471.0765.9765.0473.8874.0374.0279.0454.7450.2345.9645.3147.0343.7062.5586.1715.0710.6707.5637.7035.2737.3234.1239.30	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCCCNCCOCCCOONCCONCCOCCCCNCCOCCOONCCOCCCCNCCOCCCNCNNNCCOC

原子	1329	CG1	VAL A	143	20.877	37.440	3.738	1.00	39.19	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	133013311332133313341335133613371338133913401341134213431344134513461347134813491350135113521353135413551356135713581359136013611362136313641365136613671368136913701371137213731374137513761377137813791380138113821383138413851386	CG2NCACOCBCGCDCENZNCACOCBCG1CG2CD1NCACONCACOCBCGCD1CD2NCACOCBNCACOCBNCACONCACOCBCGND1CD2CE1NE2NCAC	VAL ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA AALA AALA AALA AALA AALA AGLY AGLY AGLY AGLY AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AILE AILE AILE A	143144144144144144144144144144145145145145145145145145146146146146147147147147147147147147148148148148148149149149149149150150150150151151151151151151151151151151152152152	19.13116.44215.15615.36415.92014.18613.73312.91612.90712.15514.92015.08813.82712.87615.89117.33715.88318.04813.87112.82413.28614.45312.36912.70011.57210.42112.79514.00713.78915.18911.89010.86311.35312.31210.57210.68110.9149.9618.75910.69310.4759.64210.48711.6699.86110.49111.04810.4019.4698.5248.8097.2677.7756.82512.21212.91613.354	36.65036.81936.22934.77333.98336.28237.68637.74939.17539.31234.40833.03232.20432.59132.91433.34431.46433.76331.03130.03228.86728.44828.33527.20626.20926.58327.68128.47128.81727.56924.95023.92522.81723.02823.42421.66620.64319.49219.70921.25018.27117.16516.07615.98215.25214.06214.45615.17312.91312.65611.79013.10411.73112.51913.91414.25712.970	5.3713.1553.5243.9323.1532.3351.9890.7100.196-1.0625.1405.6035.7286.4076.9066.6737.3757.9165.1045.2166.0706.0216.8627.7177.5997.6919.1689.62811.0699.5067.3637.3728.2809.0316.0008.2679.3009.0828.96610.6688.9918.5417.9258.2197.0796.5435.2034.4386.2927.4298.4677.6539.2878.8164.8883.6713.025	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	39.5837.4639.2345.7447.1441.7047.0942.3034.4143.9641.3239.2144.6246.0440.4339.5639.4041.9439.6938.9542.3343.7835.2833.2935.7635.1132.0532.7831.0132.4433.4833.9741.0241.0434.7837.8036.6839.6740.8637.5635.4434.6442.2941.7644.0346.4349.7652.1249.3355.2057.8858.9658.1359.0142.3340.0346.17	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CNCCOCCCCNNCCOCCCCNCCONCCOCCCCNCCOCNCCOCNCCONCCOCCNCCNNCC

原子	1387	O	ILE A	152	13.662	11.996	3.716	1.00	48.56	A	O
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	138813891390139113921393139413951396139713981399140014011402140314041405140614071408140914101411141214131414141514161417141814191420142114221423142414251426142714281429143014311432143314341435143614371438143914401441144214431444	CBCG1CG2CD1NCACOCBOGNCACOCBCGSDCENCACOCBCGCD1CD2NCACOCBCG1CG2NCACOCBCGCD1CD2CE1CE2CZNCACONCACOCBCGOD1OD2N	ILE AILE AILE AILE ASER ASER ASER ASER ASER ASER AMET AMET AMET AMET AMET AMET AMET AMET ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLY AGLY AGLY AGLY AASP AASP AASP AASP AASP AASP AASP AASP AGLU A	152152152152153153153153153153154154154154154154154154155155155155155155155155156156156156156156156157157157157157157157157157157157158158158158159159159159159159159159160	14.12913.66814.95314.69513.31313.85815.02815.21112.80811.48115.80417.02217.25317.42218.19519.49320.84622.17017.30917.46118.86119.26516.38716.16815.71815.12019.61820.87920.71120.41521.98823.31521.96720.87820.85222.09722.73319.65619.61720.26219.00620.23018.92519.56022.40923.53424.02523.22325.33525.93927.33327.63525.96926.78127.52126.66628.181	15.10216.39815.35117.01912.94611.85412.44913.66911.30111.39511.59212.04111.27110.07011.78412.33211.15912.33211.94811.20911.42512.54911.67410.9789.54611.76510.35310.3979.6498.4689.7159.97710.18110.3589.78010.26411.25810.35511.87112.61412.54114.01813.92714.6799.5899.9548.7027.8218.6227.5557.2987.6357.8609.1279.6889.5606.699	4.0024.6712.7505.5751.7010.9240.1360.092-0.0640.437-0.506-1.118-2.372-2.346-0.182-0.720-0.680-0.472-3.486-4.727-5.291-5.570-5.706-7.047-6.841-7.797-5.409-6.124-7.443-7.440-5.337-5.989-3.868-8.556-9.909-10.668-10.275-10.665-10.642-11.628-9.598-11.608-9.573-10.578-11.769-12.616-13.346-13.704-13.553-14.339-13.812-12.660-15.852-16.22715.395-17.39714.644	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	41.5640.1142.6148.7741.2540.9544.6143.8445.6657.4240.3640.6742.7146.1743.7148.1053.7350.2837.9238.3239.1140.8739.0943.7243.4545.6731.0029.6935.0536.3131.7630.8231.6328.8427.8132.4133.5528.3928.2732.7627.2733.7130.6330.5326.5425.3929.7930.7924.4625.6535.2236.5527.3542.0044.3545.6832.02	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCCCNCCOCONCCOCCSCNCCOCCCCNCCOCCCNCCOCCCCCCCNCCONCCOCCOON

原子	1445	CA	GLU A	160	29.423	6.153	-14.130	1.00	33.63	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	144614471448144914501451145214531454145514561457145814591460146114621463146414651466146714681469147014711472147314741475147614771478147914801481148214831484148514861487148814891490149114921493149414951496149714981499150015011502	COCBCGCDOE1OE2NCACOCBOG1CG2NCACOCBCGND1CD2CE1NE2NCACOCBOGNCACOCBCGND1CD2CE1NE2NCACOCBCGCD1CD2CE1CE2CZNCACOCBCG	GLU AGLU AGLU AGLU AGLU AGLU AGLU ATHR ATHR ATHR ATHR ATHR ATHR ATHR AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ASER ASER ASER ASER ASER ASER AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ALEU ALEU ALEU ALEU ALEU ALEU A	160160160160160160160161161161161161161161162162162162162162162162162162163163163163163163164164164164164164164164164164165165165165165165165165165165165166166166166166166	30.46231.49629.92628.92628.77829.81727.62230.19231.07330.37631.01331.62030.53632.49729.05428.40627.49226.94327.65928.51529.77128.28030.26929.38427.35226.29225.68026.37126.77626.94824.38523.81722.91422.63923.02123.77324.50423.90825.08824.72822.38121.33720.33920.61521.97022.28521.39123.50021.69623.76522.85519.24618.13017.48017.26417.07717.153	7.2487.0625.0043.8443.0392.7352.7228.3869.52710.69811.5269.93210.1928.83310.75411.88811.47910.38312.71613.19013.73413.23014.09013.80212.33712.14913.48314.51111.3119.95513.48314.68714.26813.09715.44115.66416.81314.88416.70615.55415.19414.76815.86117.02614.40115.59116.02916.23417.11517.33517.77015.48716.36215.92514.72416.15016.778	-14.009-13.359-15.007-15.154-13.876-13.236-13.508-14.653-14.556-13.861-13.260-15.943-16.856-16.510-13.888-13.250-12.116-12.116-14.278-15.412-15.227-16.748-16.400-17.338-11.111-10.159-9.715-9.675-8.968-9.362-9.383-8.819-7.693-7.543-9.889-11.166-11.414-12.272-12.599-13.150-6.922-5.991-5.750-6.052-4.656-3.798-2.873-3.891-2.054-3.131-2.226-5.086-4.777-3.464-3.252-5.862-7.235	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	39.7741.8135.5041.6778.7173.9782.4331.7529.7332.8331.2136.6143.3328.3630.8131.0431.6732.8034.4140.7043.6345.0644.0944.6523.3722.1424.2419.6226.8337.9919.7721.1826.5628.4624.0128.8830.6831.4130.8230.9224.7024.4128.5128.2825.9026.3527.3528.1126.7328.4625.7124.5225.2733.5431.8625.4829.44	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	COCCCOONCCOCOCNCCOCCNCCNNCCOCONCCOCCNCCNNCCOCCCCCCCNCCOCC

原子	1503	CD1	LEU A	166	16.419	15.832	-8.201	1.00	28.08	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	150415051506150715081509151015111512151315141515151615171518151915201521152215231524152515261527152815291530153115321533153415351536153715381539154015411542154315441545154615471548154915501551155215531554155515561557155815591560	CD2NCACOCBCG1CG2NCACOCBCG1CG2CD1NCACONCACOCBCGCDOE1NE2NCACOCBNCACOCBCG1CG2NCACOCBCGOD1OD2NCACOCBCGOD1OD2	LEU AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AALA AALA AALA AALA AALA AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP A	166167167167167167167167168168168168168168168168169169169169170170170170170170170170170171171171171171172172172172172172172173173173173173173173173174174174174174174174174	16.42517.09716.21214.76014.50116.71117.92417.06513.81412.44211.50311.97312.15213.19910.79113.53610.1909.2218.5078.8517.5066.7147.6667.6335.6404.9794.2383.5014.4558.5369.51810.26210.44510.48510.66711.41110.59911.04612.00212.29713.2719.4238.5178.3358.3937.1407.2058.1636.2748.1077.7208.7168.3317.4666.2735.8295.803	18.09116.87916.55616.98718.08617.13216.34618.59716.14416.21716.11716.14515.07215.07315.21216.46416.07415.88317.16918.27117.01518.15719.13420.34117.77319.01518.67017.69819.53018.59519.40420.31521.50218.51219.75420.50121.57922.71719.63420.50918.95921.23122.25123.33024.52621.66420.43020.30719.58522.89923.84024.95026.05223.13722.25521.98321.826	-7.154-2.610-1.484-1.713-2.222-0.1510.354-0.321-1.298-1.785-0.5890.564-2.762-3.865-3.372-4.347-0.8410.2300.6570.2021.5111.9122.5272.2252.9623.6084.9214.9955.9303.3794.0943.1343.4284.8441.9840.9830.3050.228-0.107-1.3000.369-0.212-0.7410.3230.043-1.066-1.971-2.754-1.9081.5562.6012.8283.2183.9323.8862.7564.966	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	33.9531.3229.8738.3639.1231.2830.2330.5435.1535.8446.6249.1538.5239.4737.4852.2841.8140.7044.8543.1642.0743.7748.6550.1546.0278.3914.6711.8511.5243.5242.4246.4745.1142.9843.4043.8848.8750.7048.3048.8247.8044.3343.6048.7347.3744.9948.1947.5850.2047.9148.4853.3854.6450.3458.3656.8066.16	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CNCCOCCCNCCOCCCCNCCONCCOCCCONNCCOCNCCOCCCNCCOCCOONCCOCCOO

原子	1561	N	VAL A	175	10.002	24.643	2.669	1.00	49.05	A		N
													原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	156215631564156515661567156815691570157115721573157415751576157715781579158015811582158315841585158615871588158915901591159215931594159515961597159815991600160116021603160416051606160716081609161016111612161316141615161616171618	CACOCBCG1CG2NCACOCBCGCDNECZNH1NH2NCACOCBCGCD1CD2NCACOCBNCACOCBCGCDOE1NE2NCACOCBCGOD1ND2NCACOCBCGSDCENCA	VAL AVAL AVAL AVAL AVAL AVAL AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AASN AASN AASN AASN AASN AASN AASN AASN AMET AMET AMET AMET AMET AMET AMET AMET AALA AALA A	175175175175175175176176176176176176176176176176176177177177177177177177177178178178178178179179179179179179179179179180180180180180180180180181181181181181181181181182182	11.04211.18411.52912.38512.88813.35610.94211.0649.88710.05411.06012.03713.45313.59014.72415.80814.7748.7007.4887.4416.8176.2796.0485.4855.0998.0888.3069.1778.8568.96110.27611.21410.54410.82112.30713.11412.58512.33012.4059.6758.9097.6236.5928.6638.6457.8389.5287.6896.6957.4266.8355.9004.9513.9943.5498.7199.571	25.58026.63227.78224.89624.51125.79926.22027.11428.08929.29326.28526.73526.18224.77824.23324.97922.94027.56428.37029.34930.40327.45826.82025.40327.71728.99329.92031.07132.22729.20930.74531.73632.89034.05531.05631.96331.92732.97130.72432.57333.61634.02034.27133.31531.83231.07431.41234.05134.72735.66736.57333.73732.87231.81430.44435.42536.252	3.0681.9972.2793.1901.8273.8680.757-0.384-0.364-0.539-1.664-2.752-2.609-2.989-3.422-3.581-3.709-0.0810.0351.2011.1080.067-1.299-1.159-2.0762.3033.4052.9463.2114.5702.2601.7150.9621.2500.863-0.100-1.536-2.132-2.087-0.001-0.6900.030-0.606-2.183-2.496-1.952-3.3971.3612.1753.1003.6633.0132.2223.3272.2343.2694.129	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	47.4954.9956.1248.6647.5148.2251.1750.7254.3954.5851.1557.6548.7852.1862.3247.0848.3150.7950.6154.3353.3651.2656.6156.9458.8351.6251.3057.4258.8751.7652.9151.8458.3057.4052.3945.4464.5768.5841.5857.7758.7063.2964.6562.4291.9289.7582.3656.6154.8358.8758.2556.7960.6765.5562.4257.3858.25	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA		CCOCCCNCCOCCCNCNNNCCOCCCCNCCOCNCCOCCCONNCCOCCONNCCOCCSCNC

原子	1619	C	ALA A	182	9.800	37.664	3.553	1.00	63.66	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	162016211622162316241625162616271628162916301631163216331634163516361637163816391640164116421643164416451646164716481649165016511652165316541655165616571658165916601661166216631664166516661667166816691670167116721673167416751676	OCBNCACOCBCGCDOE1NE2NCACOCBCGSDCENCAC0CBCGOD1ND2NCAC0CBCGOD1OD2NCACOCBCG1CG2NCACOCBCG1CG2CD1NCACOCBCGCD1	ALA AALA AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AMET AMET AMET AMET AMET AMET AMET AMET AASN AASN AASN AASN AASN AASN AASN AASN AASP AASP AASP AASP AASP AASP AASP AASP AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE ALEU ALEU ALEU ALEU ALEU ALEU ALEU A	182182183183183183183183183183183184184184184184184184184185185185185185185185185186186186186186186186186187187187187187187187188188188188188188188188189189189189189189189	9.46010.90210.37810.89412.35612.95810.0998.6158.2618.7287.43212.94814.28214.22013.41914.84515.81915.28116.86515.04715.18614.18214.20115.20715.78516.87115.05713.33812.32212.73813.43711.04210.12110.5129.03412.29012.39410.99810.21513.13413.38714.42010.7099.3569.42910.1418.9078.6987.6327.6968.7368.6987.4226.3738.6679.0738.426	37.93835.55138.55439.80039.95939.07440.98040.96641.90743.05341.44641.09041.32341.29341.98942.65342.48941.20540.62640.43940.30839.35239.15741.67141.59942.12740.94438.73037.78036.31835.75237.86038.97939.73739.13035.70734.27033.71734.09633.87432.37534.67332.78932.28730.78030.16432.63434.12731.90434.60330.18828.73128.22028.85128.34529.38429.036	2.4004.3564.3523.8154.2044.8004.3604.0232.9012.8421.9763.8744.3635.8686.4653.8602.6851.5060.8146.4577.8968.5299.7378.58710.00410.28210.9067.7048.1668.3007.4437.3287.7878.7047.1979.3959.5369.59310.44210.80810.83610.9448.7028.4978.5947.8087.0596.9486.6897.9839.5689.7219.0529.16411.19812.25113.558	1.001.001.001.001.001.001.001.001.001.OO1.001.OO1.001.001.001.001.001.OO1.001.001.001.OO1.001.001.001.001.001.OO1.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.00	64.1158.7058.5858.2662.5563.5560.5185.97109.08108.5798.6058.4958.2956.6754.2461.7866.5771.5968.3451.2850.2751.9253.3854.4594.1986.6790.3645.6044.2047.1646.6245.5452.1651.2559.3640.9239.6442.1642.7942.7041.9642.8637.6236.5041.0742.8138.7238.1538.3849.8736.5634.6738.8237.3034.2136.8734.73	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	OCNCCOCCCONNCCOCCSCNCCOCCONNCCOCCOONCCOCCCNCCOCCCCNCCOCCC

原子	1677	CD2	LEU A	189	10.575	29.481	12.433	1.00	40.86	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	167816791680168116821683168416851686168716881689169016911692169316941695169616971698169917001701170217031704170517061707170817091710171117121713171417151716171717181719172017211722172317241725172617271728172917301731173217331734	NCACOCBOGNCACOCBCGCDNCACOCBCGOD1ND2NCACOCBSGNCACOCBCGCD1CD2NE1CE2CE3CZ2CZ3CH2NCACOCBCGCDOE1NE2NCACOCBCGCD1	SER ASER ASER ASER ASER ASER APRO APRO APRO APRO APRO APRO APRO AASN AASN AASN AASN AASN AASN AASN AASN ACYS ACYS ACYS ACYS ACYS ACYS ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALEU ALEU ALEU ALEU ALEU ALEU ALEU A	190190190190190190191191191191191191191192192192192192192192192193193193193193193194194194194194194194194194194194194194194195195195195195195195195195196196196196196196196	7.5236.4425.3285.4936.9237.4894.1693.0573.5423.6012.2542.7603.7603.8734.3815.4435.1554.8635.2696.1554.5506.6287.7247.3338.0828.8269.9106.1695.6305.0125.1714.6173.6422.2883.9701.7452.7535.1542.6975.0993.8744.3323.8064.8764.7613.2091.6871.0340.1651.4055.9077.0457.8218.3597.9987.3068.299	27.07326.54626.08426.08625.38224.35325.75925.19724.19324.49924.45924.99326.06922.99321.97822.53322.72820.75019.62719.79018.51822.85623.34224.26724.43623.98725.12224.88725.62624.64224.81126.66927.20327.36227.87527.98828.31228.04228.92828.71629.13723.61122.51821.88421.86721.42621.36922.72223.14623.37921.34920.69221.55521.04220.16319.18718.509	8.3827.5788.4909.6926.7057.4857.9138.6719.71910.9177.5886.2336.5299.26310.16411.13112.3019.39710.31211.14510.24210.63411.48412.63613.59410.63211.54712.54313.68514.69715.90313.20914.24514.08315.47315.18216.05216.20017.30117.41717.96014.19615.02115.89317.12014.12714.15013.91314.68112.81215.23515.87916.88317.85614.81513.87412.959	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	35.9236.6446.2145.4038.7949.6247.2346.4750.5052.0847.9951.7247.3845.0944.7047.8348.9443.2972.6573.8862.8442.8741.4948.2250.9840.3443.3445.0345.1950.5551.9743.1643.8346.6743.3445.4446.3643.9944.7645.1545.2645.2545.0248.4247.6046.7877.26107.69102.93105.2544.8643.7446.7044.2043.5948.3648.58	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	NCCOCONCCOCCCNCCOCCONNCCOCSNCCOCCCCNCCCCCNCCOCCCONNCCOCCC

原子	1735	CD2	LEU A	196	6.579	18.154	14.707	1.00	49.40	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	173617371738173917401741174217431744174517461747174817491750175117521753175417551756175717581759176017611762176317641765176617671768176917701771177217731774177517761777177817791780178117821783178417851786178717881789179017911792	NCACOCBSGNCACOCBCGOD1OD2NCACOCBCGCDNECZNH1NH2NCACOCBOGNCACOCBCGSDCENCACOCBCG1CG2CD1NCACOCBCGCDOE1OE2N	CYS ACYS ACYS ACYS ACYS ACYS AASP AASP AASP AASP AASP AASP AASP AASP AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ASER ASER ASER ASER ASER ASER AMET AMET AMET AMET AMET AMET AMET AMET AILE AILE AILE AILE AILE AILE AILE AILE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE A	197197197197197197198198198198198198198198199199199199199199199199199199199200200200200200200201201201201201201201201202202202202202202202202203203203203203203203203203204	7.8788.7778.4007.2408.9387.5509.3999.1928.7329.53810.48010.42511.5049.3117.4246.8137.1696.9815.3034.9373.5203.2072.1011.2151.8867.6858.1129.1979.3048.61910.0039.97711.20210.90511.51212.18112.49313.63414.1729.9659.8058.6697.9689.5118.12910.5427.9278.5277.4187.0797.8457.8708.2987.1696.0157.4405.962	22.86223.68623.81923.62425.07126.22724.15824.53425.98726.92724.32124.93325.10225.19226.15327.46828.25729.47327.34326.32426.45725.46425.49426.46524.56627.59828.37029.37630.45927.44927.18329.02129.75431.00632.04328.88027.49227.49629.22030.88931.87132.84132.75231.19430.55430.13029.48633.77334.72634.83035.41636.11336.17135.80235.68735.61534.244	16.65817.45018.92319.31416.82417.06119.73421.13621.23221.19821.94523.33623.95923.83521.37821.44822.69122.73621.29820.25519.79718.77518.04018.22317.11723.71624.87524.46625.03625.98425.83523.44923.12922.32522.54422.33622.91124.30624.30121.40020.34320.59221.60219.00619.05118.71417.99619.64719.56718.08817.31720.04821.49822.43321.94723.64117.677	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	44.7446.0152.5753.2046.7650.1749.1548.9352.2151.3650.8666.3467.5976.1047.7346.5055.2857.1440.9543.1744.6457.0282.9578.8568.2153.4354.3657.9958.1559.7170.5454.2652.9754.7151.5254.8457.9361.7158.0753.8155.2063.7263.2758.1458.7059.4266.7263.2363.5857.3967.7865.1076.46104.95100.8497.8062.85	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	NCCOCSNCCOCCOONCCOCCCNCNNNCCOCONCCOCCSCNCCOCCCCNCCOCCCOON

原子	1793	CA	ILE A	204	5.594	34.309	16.273	1.00	63.57	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	179417951796179717981799180018011802180318041805180618071808180918101811181218131814181518161817181818191820182118221823182418251826182718281829183018311832183318341835183618371838183918401841184218431844184518461847184818491850	COCBCG1CG2CD1NCACOCBCGCDOE1OE2NCACOCBOGNCACOCBCG1CG2NCACOCBCGCDNCACOCBCGOD1OD2NCACOCBCGCDOE1NE2NCACOCB	ILE AILE AILE AILE AILE AILE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ASER ASER ASER ASER ASER ASER AVAL AVAL AVAL AVAL AVAL AVAL AVAL APRO APRO APRO APRO APRO APRO APRO AASP AASP AASP AASP AASP AASP AASP AASP AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AARG AARG AARG AARG AARG A	204204204204204204205205205205205205205205205206206206206206206207207207207207207208208208208208208208209209209209209209209209210210210210210210210210210211211211211211	4.5684.1945.1143.7746.1512.5624.1363.0652.4083.0143.5982.8503.5953.5354.2941.1520.3510.7461.149-1.143-1.4530.6540.818-0.523-0.9251.9001.8263.276-1.212-2.512-2.583-1.540-2.612-1.796-0.805-3.805-4.100-2.898-2.468-4.669-3.783-3.243-3.587-2.357-1.219-1.220-1.6440.0820.2560.5360.4500.863-0.732-0.5910.7620.845-0.913	35.39736.19232.94532.52331.86633.00535.42736.30435.72534.95037.70838.49839.76940.20240.29736.08535.40735.83436.97835.65535.62834.88535.16934.97933.85334.27234.31634.68136.09036.12335.14434.79137.58138.35737.40234.73133.53132.59232.29233.92334.95434.65836.05332.18431.27130.72231.41232.03632.47931.30831.40330.16529.48928.85929.06028.97027.372	15.96116.83215.69516.29315.88715.50114.70114.26113.02012.28513.99912.95012.59311.41613.48812.80411.80610.40410.16112.05113.4429.4898.0787.3517.0347.4545.9297.9617.1196.4405.2354.6816.0047.0457.6574.8554.0103.8302.7082.6421.9430.8562.5164.9745.0796.5097.4544.8273.4092.5131.2883.1236.6637.9828.6679.8927.913	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	68.7468.9266.8467.4567.7574.3964.3464.1771.5671.5365.1074.4097.67109.0778.8070.3171.3775.4674.7477.0988.1972.3172.6978.0876.5876.6276.3576.4676.4276.4781.2580.0778.0482.2077.2579.8380.8683.2183.3183.81101.77103.76109.5077.2175.4577.3578.5176.2480.75100.8597.7089.6269.3166.5664.9765.4166.11	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	COCCCCNCCOCCCOONCCOCONCCOCCCNCCOCCCNCCOCCOONCCOCCCONNCCOC

原子	1851	CG	ARG A	211	-2.086	27.058	7.019	1.00	74.98	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	185218531854185518561857185818591860186118621863186418651866186718681869187018711872187318741875187618771878187918801881188218831884188518861887188818891890189118921893189418951896189718981899190019011902190319041905190619071908	CDNECZNH1NH2NCACOCBNCACOCBCG1CG2NCACOCBCGCDCENZNCACOCBCG1CG2NCACOCBCGOD1ND2NCACOCBCGCD1CD2CE1CE2CZNCACOCB	ARG AARG AARG AARG AARG AALA AALA AALA AALA AALA AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASN AASN AASN AASN AASN AASN AASN AASN APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ALEU ALEU ALEU ALEU ALEU A	211211211211211212212212212212213213213213213213213214214214214214214214214214215215215215215215215216216216216216216216216217217217217217217217217217217217218218218218218	-2.670-1.694-1.006-1.175-0.1501.8103.1583.1592.1154.1284.3204.4035.7186.6564.3042.9975.4505.7816.9627.6487.1476.6137.4267.2778.3508.3948.8059.4439.77710.58510.72911.37710.4349.1449.44010.61811.5388.2377.3497.6996.16310.58911.56211.79210.93511.14410.81611.8119.52311.5129.21810.21412.96313.39313.54614.61514.737	25.71224.64724.07524.46223.10429.33929.56330.67231.22129.86930.99132.01532.76632.27731.41030.67230.47233.96634.80135.10535.88436.10037.29538.47939.53239.98534.49634.54335.97436.61533.71433.82532.26136.49637.85037.83138.63538.47839.22440.31338.67736.91436.96635.61534.73937.98439.34240.29739.64541.54840.87941.83535.46434.21134.40734.19233.762	7.3627.1768.1599.4197.8777.8848.4269.4499.7577.33310.00011.04410.92610.31612.44512.60712.67711.48411.32412.66513.48010.59111.07610.15110.41611.83212.87914.17914.52413.85114.21115.57013.85815.56215.97116.91416.78016.65715.70115.24415.43717.87818.96419.60019.53120.02819.46919.29419.08218.75718.53518.39020.21620.83722.34822.91520.249	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	84.7693.3107.6990.0799.3356.2554.2755.2254.7555.0251.8651.2255.2756.6254.6054.5054.7649.8448.9252.3952.3250.5160.1673.1188.21100.3847.6947.8257.3258.5750.2449.1449.7355.6356.5164.2063.9757.3982.4074.9675.3363.1364.2268.1367.1266.8069.2073.0171.6074.1675.0473.4165.4765.2269.9368.8165.08	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CNCNNNCCOCNCCOCCCNCCOCCCCNNCCOCCCNCCOCCONNCCOCCCCCCCNCCOC

原子	1909	CG	LEU A	218	15.408	32.532	20.880	1.00	68.78	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	191019111912191319141915191619171918191919201921192219231924192519261927192819291930193119321933193419351936193719381939194019411942194319441945194619471948194919501951195219531954195519561957195819591960196119621963196419651966	CD1CD2NCACOCBCGCDCENZNCACOCBCGCDNCACOCBCGCDNCACOCBCGCDNCACOCBCGOD1ND2NCACOCBCGCD1CD2CE1CE2CZNCACOCBCG	LEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO AASN AASN AASN AASN AASN AASN AASN AASN APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASN AASN AASN AASN AASN AASN A	218218219219219219219219219219219220220220220220220220221221221221221221221222222222222222222222223223223223223223223223224224224224224224224224224224224225225225225225225	15.29616.84712.47612.46112.49711.53111.18511.41812.13212.67913.34713.62013.75313.22413.12715.27115.85014.71912.87912.38513.48714.67412.03211.60012.54213.07613.97315.25916.32013.16111.76211.79115.17816.36516.72716.01816.18516.24015.20717.45317.84718.14919.49819.87017.06417.33017.09517.80317.33218.03117.79520.23121.54821.78622.15722.66924.016	31.31032.80934.85234.96633.54132.78535.70036.85638.03439.04940.24733.16331.82231.88032.96431.62033.04934.03330.72730.67931.11930.92429.21128.78329.50331.72732.50931.77832.39432.76332.56431.48430.46429.70228.73527.75028.99529.95830.42830.30029.02528.44128.93130.08728.82828.35127.03629.21426.58928.77327.46028.05228.41727.80326.62528.00528.598	19.99721.30722.99124.43824.99824.86324.89225.87125.19426.21325.59625.59826.15427.57228.15626.18726.30126.05528.12729.49230.44530.17329.68528.34027.38731.55432.38432.71532.79833.65333.25232.22432.88133.22232.11531.87034.55835.72636.21136.15031.45630.15829.64029.85929.16027.76727.41726.80526.13125.51625.17928.95928.43527.07326.95829.38628.997	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	68.2569.4267.7568.4275.3576.3170.8278.5686.3095.5298.3972.9972.7175.0375.3974.2578.2573.5069.5568.5771.3770.5070.0874.9570.4466.9265.9270.8571.8267.0771.8067.2565.9865.8969.4669.5270.85106.18101.99100.6764.0362.7264.1564.7964.1065.5268.8167.2569.4870.1068.0957.3856.3759.0159.7855.8075.32	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCNCCOCCCCNNCCOCCCNCCOCCCNCCOCCCNCCOCCONNCCOCCCCCCCNCCOCC

原子	1967	OD1	ASN A	225	24.965	28.586	29.789	1.00	64.79	A	O
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	196819691970197119721973197419751976197719781979198019811982198319841985198619871988198919901991199219931994199519961997199819992000200120022003200420052006200720082009201020112012201320142015201620172018201920202021202220232024	ND2NCACOCBCGCD1CD2CE1CE2CZNCACOCBCGOD1OD2NCACOCBCGCDOE1OE2NCACOCBCGCD1CD2CE1CE2CZNCACOCBCGCD1CD2CE1CE2CZNCACOCBOG1	ASN APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ATHR ATHR ATHR ATHR ATHR ATHR A	225226226226226226226226226226226226227227227227227227227227228228228228228228228228228229229229229229229229229229229229230230230230230230230230230230230231231231231231231	24.11321.59521.74923.06623.14621.61521.76420.66423.02120.80523.17222.06624.09225.35725.33625.77126.51426.98328.17126.14424.77024.54923.38023.40124.28025.44925.02325.88423.84522.35121.29821.93521.77520.41919.35718.35519.32217.36218.33417.35122.73023.39724.29024.22324.18824.90226.25924.21926.89024.86726.21825.14725.90925.02825.25226.52527.536	29.09828.61728.13827.39926.52529.26228.79728.36128.67927.87628.20927.80427.72527.02825.56124.67527.80028.93728.91829.78725.30923.95623.29622.10224.03124.65525.60926.41125.52724.08723.65323.05121.85524.83824.52923.63125.20023.36924.95224.02723.85523.42222.17621.23824.59224.26223.99724.25323.66723.92423.64922.17520.98119.75618.79521.07022.083	27.76526.04424.69724.48223.61523.68822.28021.57421.71020.29920.42719.72025.26425.08325.50224.74925.69424.79624.40924.40526.68027.18626.46926.15328.67829.41530.50430.94230.93226.21825.32724.07123.80624.98023.97424.26422.76823.35521.85122.13723.36522.12822.27621.47521.53320.24220.23319.04519.09117.89017.92023.28123.57523.60022.87324.91924.896	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	67.2251.2548.6851.0449.6449.1349.2050.2250.2551.2552.6350.6646.6147.1953.2453.9949.8661.1562.4465.3749.1047.6047.2143.7149.0062.7088.6488.4375.5843.2241.8942.2742.5843.5645.5448.8548.2250.3352.0650.5234.1633.0835.2134.9735.1336.5436.9838.4337.8240.9038.0431.2131.9439.2041.6540.8141.37	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	NNCCOCCCCCCCNCCOCCOONCCOCCCOONCCOCCCCCCCNCCOCCCCCCCNCCOCO

原子	2025	CG2	THR A	231	27.103	19.704	25.288	1.00	32.16	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	202620272028202920302031203220332034203520362037203820392040204120422043204420452046204720482049205020512052205320542055205620572058205920602061206220632064206520662067206820692070207120722073207420752076207720782079208020812082	NCACOCBCGCDCENZNCACOCBSGNCACOCBOG1CG2NCACOCBOG1CG2NCACOCBCGCD1CD2CE1CE2CZNCACOCBCGSDCENCACOCBCGND1CD2CE1	LYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ACYS ACYS ACYS ACYS ACYS ACYS ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AMET AMET AMET AMET AMET AMET AMET AMET AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS A	232232232232232232232232232233233233233233233234234234234234234234235235235235235235235236236236236236236236236236236236237237237237237237237237238238238238238238238238238	24.00723.08422.58522.30821.91822.32821.10221.44821.65822.50522.06223.13822.87221.59819.97624.37525.49725.51126.10626.81227.19826.68624.84024.89724.09524.10224.37925.13724.56423.37322.54123.02922.49321.10320.60620.76120.05620.32319.65119.77924.16224.80726.00427.09225.27824.15924.71923.10825.79426.76728.17029.14326.29127.08328.38026.78928.834	19.79118.67518.34817.20318.99019.21819.50419.55018.19219.35819.11418.41517.43720.40220.87818.85218.25816.73116.09918.77818.02920.23116.12014.64713.96812.74214.10814.68112.60814.75314.18814.59914.18114.54514.08114.87412.81714.44812.37913.18615.28615.78514.90415.06017.18518.19919.75520.59013.96212.90113.44712.93712.09010.84910.6909.7349.511	24.43324.48123.08322.75325.41326.86627.74429.23429.82722.23720.86820.06519.34720.22220.86820.26819.56419.62618.76620.08021.24120.43820.59920.70319.60619.47622.06823.13822.13518.83117.78316.40315.37118.02519.37520.48619.53521.69120.75121.83116.41315.23014.85715.39215.56815.58516.28016.35013.95213.67813.44414.01612.46312.20712.65311.49312.259	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	34.9834.9037.1535.0238.7163.8080.4896.7606.2636.0435.4937.8938.5535.3738.9731.3529.4435.9538.3733.9936.9334.2632.1931.3934.1938.4144.7949.3244.8227.3826.4729.1730.0029.8033.8637.4637.2339.4240.3538.3222.2321.5827.2226.0624.4729.3236.9133.1828.8828.9629.7329.9031.9736.9539.9939.4539.41	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	NCCOCCCCNNCCOCSNCCOCOCNCCOCOCNCCOCCCCCCCNCCOCCSCNCCOCCNCC

原子	2083	NE2	HIS A	238	27.879	8.899	11.580	1.00	39.62	A	N
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	208420852086208720882089209020912092209320942095209620972098209921002101210221032104210521062107210821092110211121122113211421152116211721182119212021212122212321242125212621272128212921302131213221332134213521362137213821392140	NCACOCBCGCD1CD2CE1CE2CZOHNCACOCBCGCD1CD2CE1CE2CZOHNCACOCBCGCDNCACOCBOGNCACONCACOCBCGCDOE1OE2NCACOCBCGND1	TYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APRO APRO APRO APRO APRO APRO APRO ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AHIS AHIS AHIS AHIS AHIS AHIS AHIS A	239239239239239239239239239239239239240240240240240240240240240240240240241241241241241241241242242242242242242243243243243244244244244244244244244244245245245245245245245	28.27629.57930.06530.87029.52629.16427.96929.99027.60529.65728.47128.17229.59030.03731.53332.06229.25529.33528.56130.16628.65330.28029.48929.66232.23433.67833.99633.55334.14833.18331.87634.78334.87136.17037.00633.65432.49336.35737.53338.75038.91339.62040.81740.60541.37042.02342.42643.79543.87644.78539.53839.26138.15537.25438.75939.74639.569	14.52414.99116.27516.94815.22814.02013.94512.92512.75911.77411.68710.54416.67817.99517.97516.95018.40419.86120.78820.32022.14221.62922.54323.87919.08219.04519.17620.10720.25920.23719.97718.23218.03617.41717.00917.25718.08217.41616.81317.59118.76016.95617.66718.52619.45016.73516.36515.73714.49116.48618.25418.95919.95520.14617.95816.89215.568	12.66412.20212.79112.16410.7229.9549.2739.9428.5779.2208.5737.86113.96114.44414.74215.15515.66815.96715.27716.95715.56617.20816.54516.87214.52014.67916.10616.75413.88612.77013.40916.60118.02618.46017.63618.54218.49619.77120.36119.93720.29519.17018.77217.52817.28018.66417.26717.21217.27517.06616.78315.54015.80814.99614.50414.16414.514	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	21.5219.5323.9921.3620.3320.8123.7420.8023.9121.1519.3030.8022.0220.8228.0332.0521.1319.5719.1119.5610.6719.4217.3922.1921.0619.7125.2924.3419.1123.3919.6027.9329.7839.5940.2833.5244.3937.6238.0242.3442.2939.8540.6947.2550.4741.8848.7081.9996.8680.4842.1041.6146.0546.0542.6746.2048.13	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	NCCOCCCCCCCONCCOCCCCCCCONCCOCCCNCCOCONCCONCCOCCCOONCCOCCN

原子	2141	CD2	HIS A	245	40.928	16.955	13.509	1.00	48.04	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	214221432144214521462147214821492150215121522153215421552156215721582159216021612162216321642165216621672168216921702171217221732174217521762177217821792180218121822183218421852186218721882189219021912192219321942195219621972198	CE1NE2NCACOCBCGCDCENZNCACOCBCGOD1ND2NCACOCBCGCD1CD2NCACOCBCGCD1CD2NCACOCBCGCDNECZNH1NH2NCACOCBCGCD1CD2NCAC	HIS AHIS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AASN AASN AASN AASN AASN AASN AASN AASN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA A	245245246246246246246246246246246247247247247247247247247248248248248248248248248249249249249249249249249250250250250250250250250250250250251251251251251251251251252252252	40.58241.42738.17437.05437.26636.32936.95437.74136.83336.29737.36838.49038.76038.53438.89940.17441.22740.95542.45037.90737.64936.18235.27938.11839.60439.59140.32235.93434.55833.93932.74134.50234.56834.50133.40534.76834.22435.13336.34434.13933.09332.77031.99931.86432.45131.13034.53535.20035.70136.45834.17434.84035.42733.80535.17935.68437.041	14.85615.67520.52721.32722.71123.49821.33722.41823.50424.58425.28722.99224.30024.35825.35624.78223.77122.56224.24923.31023.18923.34922.83621.83521.49320.21122.55024.00724.31923.05622.87025.50026.90628.01027.11922.16820.93719.76519.84221.05421.99121.79820.61320.04420.54418.95918.70417.42116.96116.04316.35915.05015.37813.94017.48917.07417.625	14.05713.45417.00117.45116.88916.81018.98819.71920.36019.36518.59216.45715.84214.32913.66616.17415.80915.76015.56913.79312.35612.01212.76211.86411.72310.92910.96110.86210.4419.9029.9799.40210.0919.07111.1219.3628.7919.1108.9347.2876.7775.2475.0023.7992.7123.6719.6379.7588.3918.35210.17610.51811.82210.6647.2755.9685.583	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	47.7248.1643.6441.2740.3740.2141.8944.2055.8647.6131.1133.1633.8038.4641.2838.2370.0551.5769.3130.0426.7923.2820.4026.0627.7626.9929.029.554.9714.5012.653.009.699.4416.7314.1914.2824.7123.3811.573.0011.9219.8939.383.0017.9025.3725.8430.8933.2125.0726.0625.5128.7024.9623.7129.92	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CNNCCOCCCCNNCCOCCONNCCOCCCCNCCOCCCCNCCOCCCNCNNNCCOCCCCNCC

原子	2199	O	ALA A	252	37.631	17.209	4.575	1.00	27.08	A	O
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	220022012202220322042205220622072208220922102211221222132214221522162217221822192220222122222223222422252226222722282229223022312232223322342235223622372238223922402241224222432244224522462247224822492250225122522253225422552256	CBNCACBSGSDCECZOHCONCACOCBOG1CG2NCACOCBCGCD1CD2NCACOCBCGCDCENZNCACOCBCGCDNCACOCBCGOD1OD2NCACOCBCGCD	ALA ACME ACME ACME ACME ACME ACME ACME ACME ACME ACME ATHR ATHR ATHR ATHR ATHR ATHR ATHR ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APRO APRO APRO APRO APRO APRO APRO AASP AASP AASP AASP AASP AASP AASP AASP APRO APRO APRO APRO APRO APRO APRO A	252253253253253253253253253253253254254254254254254254255255255255255255255255256256256256256256256256256257257257257257257257258258258258258258258258259259259259259259259	34.69637.52238.83438.98737.84638.01936.39936.32537.54639.86141.08939.40640.41040.32340.84740.07238.75640.11239.63339.62041.04041.84938.89637.38336.95836.78641.29642.57942.40041.32243.20743.51344.12944.68745.26543.48243.56643.08143.72245.06845.54044.42741.89941.40140.99840.22240.18239.22239.51138.20841.55041.28239.82439.27942.16343.29642.782	17.43118.63519.19020.36921.82722.05621.79720.40220.00818.16818.36617.06416.08114.79213.74915.58015.03716.67814.80313.61613.31914.24213.88413.95814.54712.56612.03211.58110.87410.33610.58411.14412.53812.98014.35610.84710.0958.6797.86310.16111.46511.9808.4197.0657.1758.0716.8185.7655.1265.4896.2946.3066.0326.6815.1705.1805.544	4.9016.3346.1207.0366.9284.7473.8283.1932.4686.6446.5107.2387.7566.9357.3479.2049.22810.2045.8124.9864.6274.4163.6743.6792.3483.8514.4113.9022.5942.3214.8746.2266.1167.4787.4491.8140.5910.7641.4130.2610.8651.7840.223-0.021-1.479-1.8240.8730.326-0.6901.007-2.330-3.775-4.152-5.024-4.283-3.380-2.031	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	24.5329.0430.7733.7340.6653.0033.1038.8333.8233.2830.4228.0326.6032.3433.1030.4633.7923.8925.4322.7228.6525.7121.6324.6923.5522.2227.3224.7727.9127.6427.6534.1845.6359.9062.8924.0123.8235.5839.1323.5227.6224.0332.9933.0136.9736.5635.2640.0941.1941.9831.7930.1330.1129.3731.5735.0430.05	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CNCCSSCCOCONCCOCOCNCCOCCCCNCCOCCCCNNCCOCCCNCCOCCOONCCOCCC

原子	2257	N	GLU A	260	39.200	5.068	-3.489	1.00	25.77	A	N
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	225822592260226122622263226422652266226722682269227022712272227322742275227622772278227922802281228222832284228522862287228822892290229122922293229422952296229722982299230023012302230323042305230623072308230923102311231223132314	CACOCBCGCDOE1OE2NCACOCBCGCD1CD2NCACOCBCGCDOE1OE2NCACOCBCGSDCENCACOCBOGNCAOCBCGCD1CD2NCACOCBCGCDOE1NE2N	GLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AMET AMET AMET AMET AMET AMET AMET AMET ASER ASER ASER ASER ASER ASER ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLN AGLN AGLN A3LN AGLN A3LN AGLN AGLN AGLN ALYS A	260260260260260260260260261261261261261261261261262262262262262262262262262263263263263263263263263264264264264264264265265265265265265265265266266266266266266266266266267	37.81236.76535.70437.52436.42035.50234.43135.82737.08036.15636.30735.39536.41635.64434.17536.02837.47737.69836.99436.35939.18539.52041.00441.36341.82437.19936.42334.97934.44436.47237.74237.36335.57734.32332.89332.56631.53132.28132.22333.44433.12233.34732.72934.02633.65734.72432.35534.30034.60633.56433.55536.01936.07537.31837.24738.45532.667	4.6895.7225.8843.3142.5731.8231.3731.7056.4797.5518.7719.5807.9429.1638.8709.4668.92810.1059.93110.86110.33411.76712.00512.71811.5768.7708.3708.7569.5236.8696.3564.7554.8748.2338.4759.97710.4667.7308.61810.71312.09012.97314.00712.60212.11712.73012.80612.62413.54413.43914.22513.26011.98711.91512.02211.75312.472	-3.779-3.294-3.886-3.181-3.897-2.948-3.417-1.744-2.256-1.842-2.760-2.884-0.3940.0850.0431.453-3.385-4.222-5.565-6.080-4.488-4.867-5.107-6.081-4.267-6.171-7.314-7.123-7.897-7.459-8.084-8.772-9.056-6.098-6.026-5.885-6.372-4.862-3.775-5.222-4.899-6.096-6.255-3.782-2.375-1.457-2.068-6.922-7.983-9.095-10.035-8.496-9.329-10.180-11.387-9.556-9.007	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	25.4630.7833.2026.9644.6177.3884.6661.8925.5023.7729.9930.7222.4825.0626.7420.9025.0726.1630.9631.7927.2331.1326.6814.3716.1927.5628.5531.4032.8232.4137.2742.4839.0324.8623.8328.0729.3525.7143.6220.2519.5323.5726.3318.7320.0817.2318.3613.5210.3618.5923.1211.8027.5632.1937.0922.4714.94	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCOCCCOONCCOCCCCNCCOCCCOONCCOCCSCNCCOCONCCOCCCCNCCOCCCONN

原子	2315	CA	LYS A	267	31.624	12.378	-10.015	1.00	15.13	A	C
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原子	2373	N	LEU A	274	38.013	20.234	-11.089	1.00	22.68	A	N
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	237423752376237723782379238023812382238323842385238623872388238923902391239223932394239523962397239823992400240124022403240424052406240724082409241024112412241324142415241624172418241924202421242224232424242524262427242824292430	CACOCBCGCD1CD2NCACOCBCGCDCENZNCACOCBCGCDOE1NE2NCACOCBCG1CG2CD1NCACOCBCGOD1OD2NCACOCBCGOD1ND2NCACOCBCGCDCE	LEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AILE AILE AILE AILE AILE AILE AILE AILE AASP AASP AASP AASP AASP AASP AASP AASP AASN AASN AASN AASN AASN AASN AASN AASN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS A	274274274274274274274275275275275275275275275275276276276276276276276276276277277277277277277277277278278278278278278278278279279279279279279279279280280280280280280280280	38.99840.36441.39138.51537.25936.68537.59440.39841.68442.28943.41241.37442.48641.96543.00342.55541.50742.05642.45343.41740.98741.20640.24640.07039.68141.65241.94143.27144.06240.80739.74741.34338.43143.55144.78746.02347.01544.63143.98744.34643.13045.99746.90147.35048.54948.14847.86248.56246.84046.40346.73046.13546.06146.31447.29447.03048.272	19.21819.52519.22917.85017.30116.17016.76820.09020.55421.51221.33821.27721.50022.46622.81124.00422.47623.57923.09623.58224.67325.59226.77327.39027.12922.17821.46820.74120.73220.45121.05619.12620.32320.15919.40220.26119.74618.32817.08916.68516.51521.52922.57722.33722.35122.74822.75422.10823.49522.10222.06723.25523.26620.74819.62918.33617.437	-10.748-11.348-10.751-11.206-10.520-11.411-9.160-12.535-13.137-12.140-11.711-14.446-15.439-16.512-17.570-18.359-11.680-10.910-9.533-8.936-10.770-9.565-9.527-8.488-10.671-9.007-7.769-7.880-6.947-7.482-6.565-7.004-6.630-9.036-9.180-9.468-10.014-10.247-9.717-8.587-10.427-9.021-9.536-10.932-11.194-8.697-7.226-6.445-6.829-11.834-13.240-13.976-15.203-13.877-13.524-14.252-14.210	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	20.7219.6123.9820.3921.5519.0723.7712.7313.3426.5332.8016.5440.9350.4667.4482.7526.2226.6534.0736.7428.1636.3752.8843.2045.9428.8626.7829.1628.0330.0028.2030.7220.3725.6526.1333.4433.9027.2835.5937.1841.5628.5226.3131.1731.8523.3446.1147.4620.1427.8427.9833.3132.8131.8450.4760.6972.01	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCOCCCCNCCOCCCCNNCCOCCCONNCCOCCCCNCCOCCOONCCOCCONNCCOCCCC

原子	2431	NZ	LYS A	280	48.727	17.155	-12.819	1.00	82.42	A	N
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原子	2489	CA	GLU A	288	35.374	35.647	-15.171	1.00	27.70	A	C
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原子	2547	C	VAL A	295	18.932	25.823	-19.751	1.00	34.25	A	C
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原子	2605	N	GLU A	302	3.209	15.437	-11.142	1.00	54.35	A	N
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原子	2663	CA	GLU A	309	7.318	8.374	-8.394	1.00	48.66	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	266426652666266726682669267026712672267326742675267626772678267926802681268226832684268526862687268826892690269126922693269426952696269726982699270027012702270327042705270627072708270927102711271227132714271527162717271827192720	COCBCGCDOE1OE2NCACOCBCG1CG2CD1NCACONCACOCBCGCDNCACOCBNCACOCBCG1CG2CD1NCACOCBCGCDOE1NE2NCACOCBCGOD1OD2N	GLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY APRO APRO APRO APRO APRO APRO APRO AALA AALA AALA AALA AALA AILE AILE AILE AILE AILE AILE AILE AILE AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AASP AASP AASP AASP AASP AASP AASP AASP AALA A	309309309309309309309310310310310310310310310311311311311312312312312312312312313313313313313314314314314314314314314315315315315315315315315315316316316316316316316316317	8.2508.3646.1945.2584.3883.9074.1998.9059.57811.00511.5269.52210.3368.09910.60411.61113.02413.48514.58512.68213.10913.02213.82512.05211.46011.59112.03311.87813.17513.91210.73213.44514.62615.92016.75314.73613.55916.08213.37016.08317.27217.20818.21217.32018.29219.77520.58020.12116.03115.87516.04516.73214.57214.51913.39515.61615.430	9.0598.6329.3408.8087.6717.7606.68110.13111.01710.62110.93612.45912.65212.87214.0819.8799.5478.8669.1337.9567.1508.0187.8976.0515.9837.3368.9019.86610.64010.52510.80611.41712.26711.57312.14012.78413.72213.43413.99110.3409.5809.3849.4988.2167.1767.5147.2388.2209.0789.00410.34510.4178.3446.9116.4216.32611.396	-9.403-10.562-8.039-6.974-7.487-8.643-6.743-8.960-9.885-10.177-11.223-9.433-8.167-9.195-7.891-9.266-9.352-10.634-11.122-11.157-12.302-13.533-14.462-12.386-11.020-10.395-13.535-14.617-14.724-15.692-14.303-13.689-13.589-14.021-14.772-12.178-11.885-11.935-10.463-13.580-13.983-15.486-16.167-13.286-13.920-13.755-14.656-12.672-16.019-17.469-18.178-19.192-17.842-17.379-17.149-17.158-17.647	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	50.5949.5750.0459.6481.8967.9576.5744.8944.0748.3746.8546.7546.2349.0943.5247.2947.6252.5854.2547.8347.1750.5251.8048.5353.8248.6844.6042.6941.1042.4343.6732.4527.4727.3822.9927.9825.3128.6820.2722.3722.7031.1835.6823.5225.3834.7632.2515.9028.3229.8635.8036.1932.1345.3942.7653.0233.69	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	COCCCOONCCOCCCCNCCONCCOCCCNCCOCNCCOCCCCNCCOCCCONNCCOCCOON

原子	2721	CA	ALA A	317	15.710	12.752	-18.133	1.00	35.49	A	C
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原子	2779	O	VAL A	324	23.909	17.250	-26.611	1.00	43.45	A	O
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原子	2837	CG	GLN A	331	29.613	20.811	-18.893	1.OO	47.08	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	28382839284028412842284328442845284628472848284928502851285228532854285528562857285828592860286128622863286428652866286728682869287028712872287328742875287628772878287928802881288228832884288S2886288728B8288928902891289228932894	CDOE1NE2NCACOCBCG1CG2CD1NCACOCBCGOD1ND2NCACOCBCGCDCENZNCACOCBCG1CG2NCACOCBCGCD1CD2CE1CE2CZNCACOCBCGSDCENCAC	GLN AGLN AGLN AILE AILE AILE AILE AILE AILE AILE AILE AASN AASN AASN AASN AASN AASN AASN AASN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AMET AMET AMET AMET AMET AMET AMET AMET APHE APHE APHE A	331331331332332332332332332332332333333333333333333333333334334334334334334334334334335335335335335335335336336336336336336336336336336336337337337337337337337337338338338	30.79231.43831.04225.71724.63225.29825.86724.08123.67922.90822.85125.29425.81025.11325.76825.80126.36827.43125.62223.79523.04721.71921.29222.77123.99924.61225.52426.64021.07319.82819.14219.67920.05618.73120.90817.97017.25115.76115.34517.72817.66816.67118.59816.61B18.53217.55314.97313.51312.95413.43912.94713.51512.96911.30511.88911.1019.655	20.81219.78421.95720.40420.52021.13020.40819.10418.40919.16017.16622.45723.17122.85022.81024.69125.48425.14626.49622.67922.51121.85121.74323.84324.65724.38025.54625.13121.43020.68220.83620.49819.21018.51119.04921.43521.68621.73122.10723.00424.15425.10124.28426.14925.34226.26321.30621.31422.72123.60420.62519.27318.19218.61722.91924.12023.929	-17.935-17.734-17.303-17.076-16.120-14.889-14.090-15.797-17.081-14.898-16.881-14.803-13.652-12.318-11.283-13.898-12.726-12.213-12.241-12.325-11.089-11.360-12.518-10.403-10.174-8.836-8.449-7.565-10.270-10.310-8.979-7.943-10.606-10.792-11.882-9.003-7.779-8.069-9.157-7.193-8.154-8.059-9.164-8.962-10.070-9.964-7.093-7.157-7.171-6.468-5.923-5.695-6.985-6.935-7.932-7.760-8.127	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.OO1.001.001.001.001.001.001.001.001.OO1.OO1.001.00	66.9361.5459.3427.5825.8728.6629.1027.2128.7725.8832.6422.3622.9133.5336.3517.9940.1553.0119.2827.9226.8732.0332.3326.1032.0239.3850.6551.8027.5527.5234.4735.4931.7532.1731.5234.0033.8239.3438.3535.4135.9837.6237.5138.6638.7035.6139.6739.7251.3150.1840.9243.9246.3443.3954.8457.3061.29	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CONNCCOCCCCNCCOCCONNCCOCCCCNNCCOCCCNCCOCCCCCCCNCCOCCSCNCC

原子	2895	O	PHE A	338	9.291	23.967	-9.310	1.00	60.11	A	O
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	289628972898289929002901290229032904290529062907290829092910291129122913291429152916291729182919292029212922292329242925292629272928292929302931293229332934293529362937293829392940294129422943294429452946294729482949295029512952	CBCGCD1CD2CE1CE2CZNCACOCBCGOD1OD2NCACOCBCGCDCENZNCACONCACOCBSGNCACOCBOGNCACOCBCGCD1CD2CE1CE2CZNCACOCBCG	PHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLY AGLY AGLY AGLY ACYS ACYS ACYS ACYS ACYS ACYS ASER ASER ASER ASER ASER ASER APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ALEU ALEU ALEU ALEU ALEU ALEU A	338338338338338338338339339339339339339339339340340340340340340340340340341341341341342342342342342342343343343343343343344344344344344344344344344344344345345345345345345	11.68810.94211.3819.76710.6849.0659.5298.8497.4336.7426.5227.2725.8425.4765.1356.4195.7366.7206.3084.5803.2862.7741.7562.2858.0189.04510.51310.82411.41712.82713.49213.27213.44814.07214.31714.97816.33316.98715.17913.96716.74918.14218.70918.09218.22017.97416.73218.94116.49718.72317.49219.89820.51421.67922.68921.01921.617	25.32326.60627.49526.90228.67928.07628.97023.69724.03323.17823.61525.50625.96126.62525.76521.95720.99420.33319.59421.65520.84520.52719.39718.24120.57119.93320.18420.73919.78319.94920.61120.20318.58417.74921.62522.35521.74521.09623.80424.39921.93221.67822.98223.61520.67019.23718.82418.27217.47916.93216.53623.36024.59224.16223.65325.36626.750	-8.499-8.238-7.265-8.928-7.015-8.678-7.730-7.092-7.127-8.163-9.308-7.483-7.440-6.443-8.451-7.750-8.598-9.566-10.472-9.351-9.401-7.998-8.043-8.831-9.354-10.187-9.808-8.761-10.694-10.443-11.628-12.751-10.19711.689-11.382-12.465-12.861-12.028-12.059-11.645-14.118-14.552-15.098-15.972-15.699-15.301-14.875-15.528-14.584-15.203-14.761-14.637-15.083-15.955-15.456-13.878-14.111	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	60.7264.3869.0467.7770.0770.6468.9858.3358.1462.8064.0659.6663.9161.9070.2455.9554.0354.3253.0956.7666.8273.5667.8956.2147.4445.6546.2046.1640.1137.9436.5735.3438.4942.4932.9432.8638.6842.8638.2948.9931.4329.1433.9634.6429.8530.6034.1832.1635.1733.2931.4025.7523.5530.0530.7721.8126.07	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCCCCCCNCCOCCOONCCOCCCCNNCCONCCOCSNCCOCONCCOCCCCCCCNCCOCC

原子	2953	CD1	LEU A	345	22.328	27.326	-12.855	1.00	25.11	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	295429552956295729582959296029612962296329642965296629672968296929702971297229732974297529762977297829792980298129822983298429852986298729882989299029912992299329942995299629972998299930003001300230033004300530063007300830093010	CD2NCACOCBSGNCACOCBCG1CG2NCACOCBCGCD1CD2CE1CE2CZNCAC0NCACOCBCGCD1CD2CE1CE2CZNCACOCBCGCDNCACONCACOCBCG	LEU ACYS ACYS ACYS ACYS ACYS ACYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLY AGLY AGLY AGLY APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APRO APRO APRO APRO APRO APRO APRO AGLY AGLY AGLY AGLY AGLU AGLU AGLU AGLU AGLU AGLU A	345346346346346346346347347347347347347347348348348348348348348348348348348349349349349350350350350350350350350350350350351351351351351351351352352352352353353353353353353	22.49521.53422.53823.18522.54021.90320.99024.45025.28026.14826.76226.14727.07425.25826.18027.03328.06327.76726.21025.44224.14426.03323.43525.34124.03129.28230.36731.14231.40431.51632.26233.78734.32031.92230.86529.73531.04628.79130.09128.96834.47835.94636.66837.03436.32835.07633.95136.87337.43036.33435.81935.97834.92435.29635.13833.60432.596	26.85724.33623.85325.05326.09522.97421.51424.88526.00225.62324.54426.52927.68226.97026.51226.31327.39728.54526.29125.02024.90323.93123.73122.74722.64327.02627.99328.17729.30827.05227.02627.01426.09825.74125.89825.09326.76425.16826.85626.04627.97528.04727.46926.28627.27827.33827.98428.30827.85127.31326.20428.10827.74028.09729.24928.42928.553	-15.302-17.261-18.226-18.889-19.097-19.311-18.709-19.260-19.677-20.874-20.919-18.472-18.894-17.310-21.863-23.035-23.097-22.792-24.321-24.522-24.043-25.150-24.201-25.329-24.862-23.460-23.593-22.281-21.842-21.673-20.409-20.612-21.255-19.649-18.599-18.620-17.535-17.614-16.538-16.574-19.988-19.991-21.226-21.250-18.718-17.823-18.612-22.243-23.515-24.435-24.232-25.440-26.383-27.824-28.238-26.001-27.137	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	27.5925.7824.8432.5431.0923.6526.9631.1431.0138.5237.6933.2432.9231.3138.4938.2946.2345.3339.2739.8542.6841.6343.0544.7442.7949.9754.0268.9067.9274.2878.4489.2489.0881.0083.1086.2885.4186.9388.0585.9590.2691.2499.48100.0192.4296.2091.0597.5797.83102.54102.3299.1999.00103.40103.41100.15108.05	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CNCCOCSNCCOCCCNCCOCCCCCCCNCCONCCOCCCCCCCNCCOCCCNCCONCCOCC

原子	3011	CD	GLU A	353	31.974	27.224	-27.515	1.00	126.69	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	301230133014301530163017301830193020302130223023302430253026302730283029303030313032303330343035303630373038303930403041304230433044304530463047304830493050305130523053305430553056305730583059306030613062306330643065306630673068	OE1OE2NCACOCBCGCDCENZNCACOCBCG1CG2NCACOCBCGCDNCACOCBCGOD1OD2NCACOCBCGCDOE1OE2NCACOCBCGCD1CD2NCAC0CBOG1CG2	GLU AGLU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL APRO APRO APR0 APRO APRO APR0 APRO AASP AASP AASP AASP AASP AASP AASP AASP AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ATHR ATHR ATHR ATHR ATHR ATHR ATHR A	353353354354354354354354354354354355355355355355355355356356356356356356356357357357357357357357357358358358358358358358358358359359359359359359359359360360360360360360360	31.07232.38435.78835.94234.61133.60737.07736.68836.80236.47336.78134.59933.37532.17131.32433.01331.89034.24932.08931.13029.67028.86831.31932.08132.91229.32527.91727.07826.33027.74226.35025.42026.19127.16926.44424.95424.12527.10826.89528.04627.92229.09824.60823.22522.28821.29823.08523.73823.23923.46322.62921.85021.83820.91322.38421.98621.816	27.21526.18727.11727.29327.00826.68926.42725.00024.06822.63121.66627.13826.95927.69327.07625.45625.30724.63529.00329.84729.39829.69631.23130.99229.78128.67228.48127.71826.0827.87928.12128.37428.11028.13227.47427.80126.97027.72429.11429.55930.62928.87528.99229.44628.49328.04230.85731.95633.29831.79928.16427.20425.83825.06127.04428.17225.802	-28.378-26.948-28.585-30.031-30.742-30.092-30.598-30.954-29.759-30.145-29.050-32.067-32.864-32.258-31.601-33.064-34.089-33.469-32.498-31.786-31.892-31.004-32.429-33.696-33.443-32.958-33.315-32.307-32.672-34.705-35.262-34.459-36.501-31.046-29.966-29.976-29.604-28.588-27.957-27.027-26.376-26.992-30.449-30.364-31.081-30.519-30.905-30.061-30.530-28.567-32.318-33.089-32.432-32.594-34.501-35.284-35.118	1.001.001.001.001.001.OO1.001.001.OO1.OO1.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.OO1.OO1.OO1.001.001.001.001.001.001.OO1.001.001.001.001.001.001.00	118.37122.0399.4698.82102.16102.42101.09115.81128.18141.97151.8697.4296.5198.1898.04100.33100.09100.0692.3890.7791.4391.5692.3696.5892.1584.1481.4578.3077.2283.6096.5797.24103.5170.2467.6964.8564.4669.0680.7897.1267.5992.0056.4753.3251.7750.2852.8756.6557.0456.5047.0945.9949.8649.1547.3251.6144.89	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	OONCCOCCCCNNCC0CCCNCC0CCCNCCOCCOONCCOCCCOONCCOCCCCNCCOCOC

原子	3069	N	HIS A	361	22.882	25.538	-31.683	1.00	46.85	A	N
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	3070307130723073307430753076307730783079308030813082308330843085308630873088308930903091309230933094309530963097309S3099310031013102310331043105310631073108310931103111311231]33114311531163117311831193120312131223123312431253126	CAC0CBCGND1CD2CE1NE2NCACOCBNCACOCBCGCD1CD2NCACOCBCGCDOE1OE2NCACOCBSGNCACOCBNCACOCBCGSDCENCACOCBCGOD1	HIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AALA AALA AALA AALA AALA ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ACYS ACYS ACYS ACYS ACYS ACYS AALA AALA AALA AALA AALA AMET AMET AMET AMET AMET AMET AMET AMET AASP AASP AASP AASP AASP AASP AASP A	361361361361361361361361361362362362362362363363363363363363363363364364364364364364364364364365365365365365365366366366366366367367367367367367367367368368368368368368368	22.95622.19121.39124.41825.13224.54826.40725.41426.55622.38821.61920.12019.42821.93019.62118.21917.92317.14817.81117.72517.65216.53518.60718.42518.42917.52219.49219.56320.69221.32120.97419.45619.50418.26117.69320.75422.33217.89216.75715.61915.01916.41915.34514.22214.35513.41114.06412.94211.38311.04715.52415.72615.35614.53717.17017.35018.289	24.23724.27123.37823.78823.60122.98123.87722.92623.45125.32725.46725.33324.55726.76726.05125.90124.44223.82026.86328.32129.32628.52623.86422.44421.49620.67321.95622.61622.02520.99822.61221.57420.66620.83419.84620.90120.39822.08522.41321.60720.80923.90221.79021.11419.60218.91521.54620.81921.04522.74819.07417.63117.21316.32117.23215.73415.264	-31.081-29.771-29.484-30.929-32.240-33.324-32.608-34.318-33.906-28.999-27.780-28.067-27.418-27.088-29.070-29.437-29.767-29.055-30.549-30.068-31.198-29.164-30.763-31.106-29.872-29.702-32.106-33.494-34.381-33.994-35.456-29.031-27.898-27.020-26.536-27.060-27.822-26.767-25.936-26.472-25.747-26.051-27.762-28.385-28.285-27.882-29.835-30.559-29.738-30.245-28.641-28.529-27.124-26.928-28.783-28.832-29.525	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	46.0745.0245.4647.7652.4154.7855.3454.9155.4337.7738.1540.9640.3539.1738.0537.1743.1544.3436.7141.1940.8545.2938.9938.8245.6347.1640.1645.7075.5061.6768.0340.2839.7337.9739.4041.9747.0327.2825.7531.0529.3726.5129.4031.8135.9436.6735.1539.7644.8942.1130.8429.6931.3329.2930.8851.9254.19	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCOCCNCCNNCCCCNCCCCCCCNCCOCCCOONCCOCSNCCOCNCCOCCSCNCCOCCO

原子	3127	OD2	ASP A	368	16.524	15.013	-28.213	1.00	60.55	A	O
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	312831293130313131323133313431353136313731383139314031413142314331443145314631473148314931503151315231533154315531563157315831593160316131623163316431653166316731683169317031713172317331743175317631773178317931803181318231833184	NCACOCBCG1CG2CD1NCACOCBCGCD1CD2CE1CE2CZNCACOCBCGOD1OD2NCACOCBCGCD1CD2CE1CE2CZNCACOCBSGNCACOCBOGNCACOCBCGCD	ILE AILE AILE AILE AILE AILE AILE AILE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ACYS ACYS ACYS ACYS ACYS ACYS ASER ASER ASER ASER ASER ASER AGLN AGLN AGLN AGLN AGLN AGLN AGLN A	369369369369369369369369370370370370370370370370370370370371371371371371371371371372372372372372372372372372372372373373373373373373374374374374374374375375375375375375375	15.98215.75414.25613.67616.56217.97115.84018.91513.62612.17111.40910.46411.68110.1849.5079.4558.1418.0787.42211.75010.98011.06310.05211.48210.91111.4559.90512.28312.49011.79411.06513.96114.24114.57914.07314.79414.27614.66012.03511.4949.9809.40312.04113.7849.3467.8947.2706.1907.4577.4687.9757.5208.0878.6807.9997.8496.477	17.86217.52317.58616.62318.47217.94218.72119.04218.70818.85117.66917.20620.09320.20221.08519.47921.25519.62920.50917.25516.20814.94314.37515.94416.90817.01117.55214.51913.29513.34512.42913.07611.86610.68311.8849.53510.7419.58414.40514.42714.35913.59315.60215.28715.14415.22013.83913.56516.15517.49012.97811.63010.7219.68211.17812.22712.917	-26.155-24.762-24.446-23.928-23.833-23.592-22.556-23.218-24.784-24.638-25.214-24.605-25.363-25.432-24.602-26.372-24.706-26.469-25.626-26.434-27.095-26.281-25.884-28.510-29.502-30.624-29.154-26.010-25.288-23.971-23.605-25.046-24.246-24.869-22.871-24.128-22.121-22.748-23.225-21.881-21.846-21.079-21.109-20.737-22.708-22.759-22.932-22.398-23.880-23.427-23.664-23.934-22.859-23.163-25.321-26.425-26.425	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	26.7428.5637.6540.3731.5730.0733.1721.8035.6536.6844.0343.2637.9239.0040.5840.4840.5241.9739.3043.7945.4751.0753.3948.0263.6666.8570.2245.5543.6748.8850.9944.4945.2248.0747.0849.6649.6448.2444.1543.3549.0848.6742.1145.4548.3449.0654.5555.5651.0858.6449.1648.3354.6255.0948.9869.3786.15	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	NCCOCCCCNCCOCCCCCCCNCCOCCOONCCOCCCCCCCNCCOCSNCCOCONCCOCCC

原子	3185	OE1	GLN A	375	5.438	12.269	-26.246	1.00	85.93	A	O
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	318631873188318931903191319231933194319531963197319831993200320132023203320432053206320732083209321032113212321332143215321632173218321932203221322232233224322532263227322832293230323132323233323432353236323732383239324032413242	NE2NCACOCBCG1CG2NCACOCBCGND1CD2CE1NE2NCACOCBCGCDCENZNCACOCBCG1CG2CD1NCACOCBCGCDOE1NE2NCACOCBOG1CG2NCACOCBCG1	GLN AVAL AVAL AVAL AVAL AVAL AVAL AVAL AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AILE AILE AILE AILE AILE AILE AILE AILE AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL AVAL AVAL AVAL A	375376376376376376376376377377377377377377377377377377378378378378378378378378378379379379379379379379379380380380380380380380380380381381381381381381381382382382382382382	6.4767.9378.4067.3056.3849.6479.89210.8777.4276.3626.4217.3176.5035.2384.6304.4683.5363.4115.4565.1625.5435.0425.8375.4704.2544.1805.2716.4706.8065.6115.3578.0409.3068.24210.4704.8803.6583.9933.3573.0241.5101.0231.5790.0065.0055.2206.6777.2524.3633.0124.3947.2538.5948.5328.1589.39910.874	14.24111.12810.29710.09410.89810.88210.16210.7669.0168.5499.2478.9717.0176.3305.3576.4734.9385.60310.14010.78212.24013.04910.0878.6228.4557.0476.72912.54113.90314.44714.08213.95213.56315.34313.43815.30315.91116.89916.90416.68016.53216.85117.71316.11917.72718.98219.43319.67920.09619.63021.33719.57920.09721.46921.59219.21219.624	-26.612-21.598-20.490-19.486-19.391-19.778-18.445-20.657-18.727-17.870-16.519-15.718-17.680-17.262-18.029-16.156-17.419-16.283-16.295-15.001-15.044-14.262-13.818-13.653-12.750-12.163-11.189-15.948-16.327-17.071-18.212-17.266-16.518-17.835-17.422-16.376-16.851-17.953-19.020-15.681-15.536-14.128-13.442-13.674-17.681-18.411-18.392-17.324-17.808-17.706-18.685-19.583-19.741-20.370-21.530-20.683-20.702	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	59.4851.3251.2456.1955.7354.5954.0653.9654.1955.1856.4655.8557.7562.4764.7765.3164.7065.3551.2949.7351.6451.3751.3558.2865.2678.9883.4447.5746.6149.3949.0749.3248.5850.0251.6245.2244.3045.3343.4846.1868.6587.2976.7785.5939.6937.7140.8640.4940.4250.9033.9634.6731.5838.5041.4333.5531.39	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	NNCCOCCCNCCOCCNCCNNCCOCCCCNNCCOCCCCNCCOCCCONNCCOCOCNCCOCC

原子	3243	CG2	VAL A	382	9.256	17.769	-20.254	1.00	34.00	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	324432453246324732483249325032513252325332543255325632573258325932603261326232633264326532663267326832693270327132723273327432753276327732783279328032813282328332843285328632873288328932903291329232933294329532963297329832993300	NCACOCBOGNCACOCBCG1CG2CD1NCACONCAOCBCG1CG2NCACOCBNCACOCBOGNCACONCACOCBCG1CG2CD1NCACOCBCG1CG2NCA	SER ASER ASER ASER ASER ASER AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY AVAL AVAL AVAL AVAL AVAL AVAL AVAL AALA AALA AALA AALA AALA ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE A	383383383383383383384384384384384384384384385385385385386386386386386386386387387387387387388388388388388388389389389389390390390390390390390390391391391391391391391392392	8.9229.16510.69411.4448.5447.53011.15912.59312.87912.30313.14012.93014.61513.91013.72314.03215.45816.43215.59816.92517.45116.75017.00718.39416.73518.70719.24020.72321.45918.94021.14522.58322.98222.10522.91522.03924.28724.82026.04426.78026.25327.35626.87725.93728.15628.77829.32229.72827.53527.12728.42929.42526.35325.31027.29928.45829.641	22.48323.84524.11123.69324.81624.18524.83025.02326.49927.11524.20022.70024.50721.82627.09228.53228.77528.26329.54829.68831.10332.01129.13329.42427.64531.30932.67232.68531.83833.45333.58533.83935.16835.99833.85732.99435.34536.60336.51235.49437.59437.66337.46238.13238.97739.18038.88440.36536.52336.06635.84035.43634.74734.85933.64536.17135.904	-19.597-20.070-20.128-19.238-19.083-18.349-21.151-21.311-21.526-22.435-22.494-22.264-22.742-23.109-20.676-20.806-21.319-20.715-22.401-23.045-23.132-23.566-24.478-25.031-24.532-22.774-22.881-23.207-22.713-21.630-24.099-24.324-23.683-23.384-25.805-26.514-23.426-22.864-21.919-21.866-21.170-20.225-18.812-18.341-20.278-21.667-19.292-21.706-18.138-16.819-16.050-16.629-16.961-18.066-17.333-14.766-13.982	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	32.8929.8932.2931.2229.7141.7725.6024.4132.4332.8926.5225.6828.3733.5328.9129.5734.6536.6926.2526.0932.8134.3728.5028.7226.9930.4030.7236.3136.9530.5633.2432.2436.0235.1132.0345.7432.9632.5040.4441.4136.6936.7340.1641.0639.9940.4240.7438.9135.7533.9436.9135.5836.8735.6337.4133.9433.23	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	NCCOCONCCOCCCCNCCONCCOCCCNCCOCNCCOCONCCONCCOCCCCNCCOCCCNC

原子	3301	C	PHE A	392	29.656	34.434	-13.609	1.00	37.08	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	330233033304330533063307330833093310331133123313331433153316331733183319332033213322332333243325332633273328332933303331333233333334333533363337333833393340334133423343334433453346334733483349335033513352335333543355335633573358	OCBCGCD1CD2CE1CE2CZNCACOCBSGNCACONCACOCBCG1CG2CD1NCACOCBCG1CG2NCACONCACOCBCGND1CD2CE1NE2NCACOCBOG1CG2NCAC	PHE APHE APHE APHE APHE APHE APHE APHE ACYS ACYS ACYS ACYS ACYS ACYS AGLY AGLY AGLY AGLY AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AGLY AGLY AGLY AGLY AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL A	392392392392392392392392393393393393393393394394394394395395395395395395395395396396396396396396396397397397397398398398398398398398398398398399399399399399399399400400400	28.68129.69530.61331.94530.17432.80831.04232.36230.76431.04532.16333.12131.54330.49132.02933.11332.79131.68333.73433.45633.03833.83834.74134.93534.66536.39231.82231.20230.88130.29029.85529.06730.04231.25131.02932.29933.20232.37133.46234.60934.38832.89333.80534.81633.82935.44434.83435.83236.97836.68137.16238.13238.44939.32035.90035.73234.453	33.92536.74536.16236.56935.13235.97134.54734.96533.76232.41532.53233.24531.57831.84331.83631.76630.64030.07830.31429.41530.27331.03028.69127.36128.33726.90530.09531.03430.38529.31331.54132.18932.51831.05630.54530.59031.40729.68529.65728.72327.68929.19529.43828.57030.42729.02730.12229.09128.22126.72625.85228.60129.98927.74326.42725.01924.467	-13.069-12.712-11.653-11.558-10.812-10.668-9.899-9.836-13.911-13.435-12.409-12.632-14.600-16.036-11.284-10.297-9.337-9.389-8.452-7.323-6.146-5.683-6.874-7.599-5.470-7.511-5.621-4.678-3.325-3.277-5.217-4.103-6.333-2.228-0.886-0.042-0.2920.9351.8961.4520.8073.2624.4164.7595.3415.8276.2291.7751.4841.7591.0432.3892.2152.1262.7983.2522.676	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	38.0636.5741.3645.0645.9146.1449.3646.6732.7631.6533.9931.5631.5636.4231.6530.2832.7432.0726.8825.0629.3329.3726.7226.3423.9936.4528.9228.5734.3534.7733.7534.5433.1829.9727.2528.3528.0420.0421.8426.9029.5023.8227.5129.6328.6028.6928.8319.8820.2025.0428.5632.3338.5231.0413.9811.8014.99	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	OCCCCCCCNCCOCSNCCONCCOCCCCNCCOCCCNCCONCCOCCNCCNNCCOCOCNCC

原子	3359	O	VAL A	400	34.201	23.250	2.766	1.00	17.70	A	O
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	336033613362336333643365336633673368336933703371337233733374337533763377337833793380338133823383338433853386338733883389339033913392339333943395339633973398339934003401340234033404340534063407340834093410341134123413341434153416	CBCG1CG2NCACOCBCGCDNECZNH1NH2NCACOCBCGND1CD2CE1NE2NCACOCBCGCDOE1OE2NCACOCBCGCD1CD2CE1CE2CZOHNCACOCBOG1CG2NCAC0CB	VAL AVAL AVAL AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL AVAL AVAL A	400400400401401401401401401401401401401401402402402402402402402402402402403403403403403403403403403404404404404404404404404404404404404405405405405405405405406406406406406	35.58236.91634.58633.64932.36232.02431.62431.30229.97629.95328.61028.41029.47027.18032.27131.86131.32131.25933.01434.34035.45434.73336.48436.07130.87230.36230.46330.02128.88828.61727.32726.38327.29630.99630.95029.50428.66031.41731.70332.80630.87333.11531.15932.29532.62529.22227.89027.96128.91827.23327.80125.72326.93326.83525.78824.74326.185	24.90425.12325.94625.34424.92526.02327.16824.86924.05022.85822.66822.40522.21622.24225.67426.46125.63224.42627.30326.63027.27925.37126.45025.28326.28325.55026.45827.61125.21523.76123.54124.31222.67525.95226.74927.16126.28225.87226.63827.47526.54128.15127.25628.04728.75728.46428.99030.09230.81329.64329.08929.38530.22531.30332.25631.81230.801	4.7705.5195.2442.0541.4320.3530.6672.5652.4391.4940.898-0.390-1.162-0.908-0.910-2.037-3.142-3.037-2.532-2.423-1.951-2.719-1.960-2.414-4.201-5.361-6.546-6.480-5.171-4.981-4.238-4.516-3.325-7.645-8.879-9.189-9.414-10.022-11.255-11.312-12.368-12.441-13.528-13.552-14.681-9.233-9.589-10.716-10.792-8.321-7.132-8.275-11.571-12.593-12.078-11.586-13.883	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	16.2315.6317.216.635.3615.9114.663.006.1218.085.9723.1113.6816.4619.1720.6327.7431.0822.5725.7627.4127.9227.3627.9526.6026.0329.9730.4926.3838.7346.2934.1441.9726.5527.8133.8737.5629.7431.3331.7532.9833.1534.0543.9847.4926.2323.3024.9424.5439.8236.5045.4120.5817.2226.3924.6816.79	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCCNCCOCCCNCNNNCCOCCNCCNNCCOCCCOONCCOCCCCCCCONCCOCOCNCCOC

原子	3417	CG1	VAL A	406	27.159	30.110	-14.813	1.00	13.49	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	341834193420342134223423342434253426342734283429343034313432343334343435343634373438343934403441344234433444344534463447344834493450345134523453345434553456345734583459346034613462346334643465346634673468346934703471347234733474	CG2NCACOCBCG1CG2CD1NCACONCACOCBCGCDOE1NE2NCACOCBCGCDCENZNCACOCBCG1CG2NCACOCBCGOD1ND2NCACOCBCGCD1CD2NCAC	VAL AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASN AASN AASN AASN AASN AASN AASN AASN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA A	406407407407407407407407407408408408408409409409409409409409409409410410410410410410410410410411411411411411411411412412412412412412412412413413413413413413413413414414414	25.04426.04525.04624.88625.81525.46826.31624.22726.89423.71123.47422.00121.16621.70620.33519.84218.66420.31619.16318.94819.85117.76620.78020.48320.10019.42921.70422.00220.79820.84919.52420.57020.30418.90018.13821.32221.09822.74318.57517.26116.20115.09117.28318.45718.83819.10516.52715.65315.26414.16816.33315.68216.11114.13916.14615.91015.027	29.88433.55234.55635.53235.73735.37634.55435.85435.39336.14237.11737.25936.44638.29638.62937.52437.16239.98240.90440.93241.30740.48836.96935.91034.66333.79835.61836.69536.94338.26738.45134.51833.27833.38432.43533.03931.67233.13834.56734.86834.90434.45136.19036.27335.28137.42435.43635.28033.84733.45535.78837.05137.29036.98333.09131.66630.966	-13.503-12.191-11.861-13.030-13.829-10.655-9.709-9.897-8.616-13.130-14.179-14.542-14.130-15.329-15.713-16.624-16.618-16.442-16.021-14.504-13.742-14.060-17.384-18.315-17.566-18.107-19.176-20.205-21.055-21.786-22.439-16.336-15.609-15.017-15.049-14.470-13.850-14.979-14.509-13.967-15.043-14.805-13.185-12.211-11.565-12.183-16.221-17.414-17.685-17.353-18.683-19.213-20.640-19.014-18.342-18.626-17.588	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	16.5327.1427.9336.5935.5431.7132.3235.1432.9836.2237.5544.2843.2641.8041.5742.0541.8543.9772.4495.7290.4384.4535.4633.5238.4641.1035.1138.7639.3446.1549.6132.3529.9635.3135.7631.9731.1032.0531.5331.8036.0338.3831.4050.1641.7043.5229.6427.6333.5837.1126.6930.0128.8629.2128.2428.6337.06	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CNCCOCCCCNCCONCCOCCCONNCCOCCCCNNCCOCCCNCCOCCONNCCOCCCCNCC

原子	3475	O	ALA A	414	14.115	30.197	-17.917	1.00	36.79	A	O
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	347634773478347934803481348234833484348534863487348834893490349134923493349434953496349734983499350035013502350335043505350635073508350935103511351235133514351535163517351835193520352135223523352435253526352735283529353035313532	CBNCACOCBNCACOCBCGCDNECZNH1NH2NCACOCBCGSDCENCACOCBCGSDCENCACOCBCGSDCENCACOCBCGCD1CD2CE1CE2CZOHNCACO	ALA AALA AALA AALA AALA AALA AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR A	414415415415415415416416416416416416416416416416416417417417417417417417417418418418418418418418418419419419419419419419419420420420420420420420420420420420420421421421421	17.24015.29614.57313.15512.21215.34313.00911.68810.8669.66311.77112.42912.23312.86313.51813.66214.05111.51710.83810.1429.01111.81912.24313.76913.29610.80510.1688.9228.08411.17012.19713.29914.0928.7747.6656.4855.3348.1389.0948.3187.3516.7725.7235.1934.0016.2146.4527.4015.6967.6065.8786.8407.0256.0815.7075.9066.716	30.91431.26630.66131.22730.49730.86432.52433.12832.57632.35634.64535.31134.51235.17734.55233.22935.26232.33531.90030.56430.37931.81933.16533.09532.15329.61228.30828.32327.41927.22427.62926.24126.76629.37529.44530.24029.88829.96328.99627.39627.84231.30032.14631.59131.66633.58134.27133.78735.37534.40535.99135.51036.12831.01530.43928.92028.392	-18.776-16.328-15.219-15.105-14.802-13.941-15.344-15.377-16.535-16.385-15.473-14.297-13.017-11.877-10.905-10.933-9.921-17.676-18.903-18.727-19.165-20.079-20.632-21.575-22.984-18.085-17.895-16.999-17.063-17.478-16.418-16.077-14.635-16.200-15.264-15.773-15.505-13.912-13.235-12.828-11.376-16.523-17.092-18.406-18.672-17.263-15.943-15.044-15.570-13.811-14.337-13.462-12.242-19.212-20.505-20.479-21.224	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	28.5137.3337.6243.7244.4837.7041.4442.8150.6052.0544.0256.3377.7891.21102.5483.2491.0846.9745.3248.5347.3747.4550.9254.7550.8546.9947.0454.2253.2448.9351.3753.6350.1753.5854.4157.9758.4457.3462.0767.2963.8054.0353.5053.0353.3456.3961.5864.8363.2867.7565.0075.4676.3745.8643.8742.4240.64	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CNCCOCNCCOCCCNCNNNCCOCCSCNCCOCCSCNCCOCCSCNCCOCCCCCCCONCCO

原子	3533	CB	TYR A	421	6.617	31.013	-21.613	1.00	45.64	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	353435353536353735383539354035413542354335443545354635473548354935503551355235533554355535563557355835593560356135623563356435653566356735683569357035713572357335743575357635773578357935803581358235833584358535863587358835893590	CGCD1CD2CE1CE2CZOHNCACOCBCGCDNCACONCACOCBCG1CG2CD1NCACOCBCG1CG2NCACOCBOG1CG2NCACOCBSGNCACOCBCGOD1OD2NCAC	TYR ATYR ATYR ATYR ATYR ATYR ATYR APRO APRO APRO APRO APRO APRO APRO AGLY AGLY AGLY AGLY AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATHR ATHR ATHR ATHR ATHR ATHR ATHR ACYS ACYS ACYS ACYS ACYS ACYS AASP AASP AASP AASP AASP AASP AASP AASP ASER ASER ASER A	421421421421421421421422422422422422422422423423423423424424424424424424424424425425425425425425425426426426426426426426427427427427427427428428428428428428428428429429429	6.5357.3845.6507.3125.5616.4006.3395.1965.4624.9334.0574.6203.4433.8655.4534.9375.5465.2526.4127.0468.5599.0956.4906.9134.9656.0739.23710.65310.79210.50811.43712.82111.45611.18111.28612.75113.61810.55311.0459.08913.03114.38614.37413.33715.18114.61415.51415.59215.93416.12716.57518.05118.36118.91215.96016.41917.782	32.50533.39233.02134.76134.38235.24736.59828.21826.78825.95726.40726.47327.45028.61524.74223.84023.98223.17824.97625.23025.35525.06926.53827.74926.49428.93325.76026.09527.54427.85425.22725.76323.76928.43629.84730.30829.65130.68430.33930.39231.42031.98633.50834.12431.48132.00334.12335.58036.17535.44236.04535.70435.00336.15037.49838.15937.705	-21.858-21.204-22.793-21.446-23.029-22.363-22.639-19.606-19.378-20.528-21.253-18.152-18.240-19.123-20.685-21.713-23.110-23.995-23.293-24.579-24.411-23.348-25.207-24.370-25.200-24.594-25.480-25.447-25.900-27.055-26.417-26.564-25.945-24.993-25.330-25.325-24.731-24.313-23.029-24.354-26.007-26.032-25.971-26.151-27.246-28.909-25.669-25.601-26.964-27.921-24.507-24.821-25.821-24.026-27.068-28.292-28.752	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	47.9250.1848.7651.2249.5756.2755.9638.0736.9338.1137.9438.1742.2938.2831.2731.3838.4839.7636.7137.3741.8342.1241.5741.7244.5542.6138.6037.6539.6939.2041.3441.6141.2233.4833.6540.4541.1338.2733.1338.2836.9237.3740.8939.7038.4842.9338.5536.6541.6844.0437.8135.0126.4642.2738.2738.7943.92	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	CCCCCCONCCOCCCNCCONCCOCCCCNCCOCCCNCCOCOCNCCOCSNCCOCCOONCC

原子	3591	O	SER A	429	17.919	37.249	-29.873	1.00	45.30	A	O
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原子	3649	O	LEU A	437	16.112	32.105	-38.503	1.00	60.35	A	O
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原子	3707	CE	LYS A	443	2.371	32.718	-31.036	1.00	41.53	A	C
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原子	3765	CE	MET A	450	10.624	37.607	-18.235	1.00	85.99	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	376637673768376937703771377237733774377537763777377837793780378137823783378437853786378737883789379037913792379337943795379637973798379938003801380238033804380538063807380838093810381138123813381438153816381738183819382038213822	NCACOCBCGCDCENZNCACONCACOCBCG1CG2NCACOCBNCACOCBCGOD1OD2NCACOCBOGNCACONCACOCBCGCDNCACOCBCGCD1	LYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLY AGLY AGLY AGLY AVAL AVAL AVAL AVAL AVAL AVAL AVAL AALA AALA AALA AALA AALA AASP AASP AASP AASP AASP AASP AASP AASP ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY APRO APRO APRO APRO APRO APRO APRO ALEU ALEU ALEU ALEU ALEU ALEU ALEU A	451451451451451451451451451452452452452453453453453453453453454454454454454455455455455455455455455456456456456456456457457457457458458458458458458458459459459459459459459	8.5079.04910.41310.5398.0596.7865.6954.8153.91111.43612.81813.59214.73812.94313.55712.63711.49614.03612.85814.87713.12312.44613.09814.32512.47812.26112.66613.24214.21613.66514.17413.33315.40712.65713.17013.54914.41712.13610.83112.91612.94411.91211.03612.03311.12111.50712.59211.27212.17812.95610.59710.87910.2089.19710.47411.23810.641	38.45938.80738.16636.94738.45839.31438.76837.73138.32939.01038.54939.23239.66539.35040.00341.07440.79738.97438.20739.64342.31343.40443.63543.57244.67143.89543.93542.62342.10745.04845.01244.87045.01142.10440.89741.18740.52139.76440.22142.21942.48341.57541.02041.39640.52039.04838.65040.97142.17342.09738.23636.82835.96636.36536.41437.25237.143	-11.872-10.564-10.331-10.230-9.446-9.466-8.544-9.240-10.267-10.257-10.204-11.329-11.152-12.481-13.623-14.221-14.615-14.679-15.269-15.749-14.227-14.918-16.284-16.421-14.081-17.289-18.697-19.220-18.672-18.973-20.400-21.311-20.607-20.296-20.937-22.387-22.976-20.862-21.177-22.934-24.370-25.032-24.366-26.338-27.063-26.929-27.312-28.516-28.485-27.235-26.403-26.182-27.238-27.806-24.768-23.731-22.326	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	86.9988.0493.4292.1791.55109.28119.76129.62138.5092.2592.8397.7397.7694.0493.6497.1096.6597.0296.7396.6792.8192.0595.4495.4392.6990.5089.0990.3391.6490.8399.13100.06102.7882.2679.7078.0376.6182.9790.8771.5069.1767.2466.9858.9656.5455.8255.5358.0462.6358.4949.4446.5848.5149.3245.9049.5949.48	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	NCCOCCCCNNCCONCCOCCCNCCOCNCCOCCOONCCOCONCCONCCOCCCNCCOCCC

原子	3823	CD2	LEU A	459	12.742	36.944	-23.742	1.00	46.65	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	382438253826382738283829383038313832383338343835383638373838383938403841384238433844384538463847384838493850385138523853385438553856385738583859386038613862386338643865386638673868386938703871387238733874387538763877387838793880	NCACOCBCGCD1CD2CE1CE2CZOHNCACOCBCGCDOE1NE2NCACOCBCGCD1CD2CE1CE2CZOHNCACOCBCGCD1CD2NE1CE2CE3CZ2CZ3CH2NCACONCACOCBCG	TYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP AGLY AGLY AGLY AGLY AARG AARG AARG AARG AARG AARG A	460460460460460460460460460460460460461461461461461461461461461462462462462462462462462462462462462463463463463463463463463463463463463463463464464464464465465465465465465	10.78510.35510.17510.97011.38611.62912.46611.05312.70611.32112.12612.3099.1439.0309.7499.5817.5707.4056.1196.0685.06610.54811.24810.3129.92712.56813.27713.63913.59014.26014.23714.53115.1219.9358.8669.3908.8128.1686.8566.5915.6135.2514.6245.2303.2893.8812.93210.48711.02911.02010.39111.71511.99010.74010.68712.87914.281	34.79233.95832.51431.96534.01535.39736.30235.78937.57237.03737.92039.15431.87830.43729.80030.23929.98828.71927.99226.75328.75028.77328.01326.92926.03727.41426.59627.17125.26426.44624.54025.12624.41127.02026.19724.86423.81426.95826.40825.48526.68125.18925.91327.52625.94727.60026.83524.90023.68623.73724.60622.78122.77922.76123.44321.58921.625	-27.504-28.605-28.186-27.414-29.717-30.267-29.619-31.475-30.158-32.031-31.369-31.926-28.708-28.529-29.698-30.844-28.555-29.355-29.059-29.091-28.769-29.407-30.443-30.922-30.161-29.941-31.002-32.208-30.796-33.181-31.759-32.969-33.984-32.187-32.724-33.219-32.924-33.848-34.218-35.198-33.572-35.210-34.229-32.523-33.855-32.192-32.876-33.963-34.554-36.079-36.673-36.696-38.141-39.012-40.042-38.528-37.946	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	40.8039.5544.7147.0640.7743.7345.5744.8946.4144.7644.5337.1138.7037.1840.6739.1936.9133.1845.7633.6831.1436.9435.5941.6542.5935.1435.4737.6734.4538.4634.6741.8544.1738.7038.5447.1346.6736.7337.0539.2237.0438.2539.5138.1238.3138.7039.2448.9351.7364.0063.4967.7070.0077.3378.1271.2182.31	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA	NCCOCCCCCCCONCCOCCCONNCCOCCCCCCCONCCOCCCCNCCCCCNCCONCCOCC

原子	3881	CD	ARG A	465	15.251	20.945	-38.890	1.00	93.35	A	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子TEREND	38823883388438853886388738883889389038913892389338943895389638973898389939003901390239033904390539063907390839093910	NECZNH1NH2NCACOCBOG1CG2NCACOCBCGCDOE1OE2NCACBCGCDCENZC	ARG AARG AARG AARG ATHR ATHR ATHR ATHR ATHR ATHR ATHR AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS A	465465465465466466466466466466466467467467467467467467467467468468468468468468468468468	15.39615.71215.91515.8079.7608.5727.3347.4358.4168.6849.3826.1724.9064.8925.5934.6264.3495.5105.8236.0734.1053.8873.2251.9631.297O.227O.7735.175	21.72221.21519.91322.01521.9S321.78122.25222.89620.32619.40320.06121.92422.48723.99824.72522.14420.67119.96518.82420.53324.46125.89526.52625.81426.52725.65024.31626.641	-40.115-41.300-41.443-42.351-38.622-39.435-38.697-37.648-39.945-38.878-41.101-39.253-38.800-38.998-38.300-37.332-37.075-36.406-36.811-35.442-39.964-40.165-38.932-38.467-37.297-36.648-36.242-40.515	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.OO1.001.OO1.00	103.60120.69111.33109.6074.2074.5180.2779.0481.1184.4975.6578.9079.1783.1982.7080.6192.41113.10107.09106.9979.8381.7883.0783.7783.4975.5870.32101.30	AAAAAAAAAAAAAAAAAAAAAAAAAAAA	NCNNNCC0COCNCCOCCCOONCCCCCNC

表4

CRYST1  99.569  99.569   98.470  90.00  90.00 120.00 P 63

SCALE1    0.010043 0.005798  0.000000        0.00000

SCALE2    0.000000 0.011597  O.000000        0.00000

SCALE3    0.000000 0.000000  0.010155        0.00000

原子	1	N	MET A	1	63.186	13.169	25.258	1.00	43.01	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	247101115162021232627283132343537394145464849515457606162636568717477818284858790939495969799100102105	CACBCGSDCECONCACBCGOD1ND2CONCACBOG1CG2CONCACBCGCDCONCACBCGCDCENZCONCACBCGCDOE1OE2CONCACBCG	MET AMET AMET AMET AMET AMET AMET AASN AASN AASN AASN AASN AASN AASN AASN ATHR ATHR ATHR ATHR ATHR ATHR ATHR APRO APRO APRO APRO APRO APRO APRO ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU A	111111122222222333333344444445555555556666666667777	62.63962.07561.52061.77361.13961.55960.57661.72960.82761.39362.72763.02763.55159.43259.24458.46557.04956.20656.46156.52356.45955.74056.76656.20956.85258.07557.67254.68354.09254.06452.60752.24052.49752.65154.03255.16751.91752.56750.58649.67149.95449.07647.63047.34446.77749.62650.59248.49748.23746.9745.631	12.85311.42411.0169.2638.49113.84713.99514.52015.63116.45517.09017.34417.30115.17614.04016.08015.81715.62816.71014.31416.99217.80417.10218.18617.94717.17716.25718.14217.06019.31319.43220.45821.91722.81222.67122.97719.80520.14919.73720.00821.36022.51422.42522.88121.90918.86618.63318.15417.20816.35217.079	23.89123.83022.45622.06223.53923.51724.24722.38322.03120.88921.23622.41120.22221.66021.22921.84121.54622.84923.75623.53620.77121.35819.45918.63317.26017.55118.66518.53918.57218.41418.52019.60319.21820.45321.10920.17617.21116.22017.25816.13515.44015.95415.47214.34216.22815.12014.38515.09314.01814.28214.182	1.001.001.O01.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	47.6749.4950.1853.2052.7844.9645.1942.5143.2439.5839.9638.5830.4744.0240.5749.6253.0154.9356.0954.9056.3558.6960.4363.0260.9860.0061.0765.8166.5771.5575.7478.9581.1783.2983.9084.3676.0275.5477.2378.0979.3381.5083.0582.7184.0475.6576.1572.6869.0869.8570.51	CCCSCCONCCCONC0NCCOCCONCCCCCONCCCCCNCONCCCCOOCONCCC

原子	108	CD	GLU A	7	44.420	16.186	14.512	1.00	73.19	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	109110111112114115117120121123125127129131132134135137140143144145148149151152154157158159160161163164166169170172174175176178180182184185187188190193196199200201202204206	OE1OE2ONCACBCGCD1CE1CZCE2CD2CONCACBCGCDOE1NE2CONCACBCGOD1OD2CONCACBCGCD1NE1CE2CD2CE3CZ3CH2CZ2CONCACBCGCDCONCACBCG1	GLU AGLU AGLU AGLU APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AASP AASP AASP AASP AASP AASP AASP AASP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP APRO APRO APRO APRO APRO APRO APRO AILE AILE AILE AILE A	777788888888888999999999101010101010101011111111111111111111111111111212121212121213131313	44.11443.75548.11347.52548.72748.53549.45149.35448.75448.68149.20549.80649.88447.08046.53746.44045.04244.13044.30643.29442.99742.77744.70043.53045.68445.37846.23845.75444.51746.63145.51846.09144.97644.93744.60745.56845.33146.43747.38746.88147.65648.91549.41048.66543.83642.82844.00342.98543.48644.93145.23041.59340.62441.50440.20440.28438.887	15.24216.45018.01519.10417.49818.01517.28417.77416.99917.43218.65119.44018.99517.78016.69518.79018.63119.33718.83519.44318.85120.62719.08319.16619.37019.95421.18622.03422.14322.60818.94319.21817.76716.70515.40114.94214.84714.32914.01314.38714.16613.62313.28913.47017.00717.63716.56516.67615.76015.83215.94716.22316.92015.12114.64213.22412.586	13.74015.54212.72512.71611.66010.3109.3267.9076.9315.6025.2486.2137.5389.93910.2069.3498.9609.98511.44512.43913.48312.1167.5387.2036.6945.3805.1543.9993.7573.3414.2303.1704.4633.4694.1735.2256.5397.1846.2575.0103.8854.0345.2896.4172.4662.8291.2080.214-0.904-0.7960.6490.6870.4181.4221.8922.5392.635	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	69.7673.1965.7860.2362.8959.5258.6156.6059.7058.1859.7258.5859.4857.6956.4649.0049.8851.3352.2556.3858.8855.2243.9451.7139.4237.4938.5841.1433.7744.7432.5241.4024.3921.2325.5919.9923.3921.4720.9820.0423.5323.5225.5122.9019.5416.5522.4719.8120.8423.8124.4816.0319.7318.8920.5918.6618.30	OOCONCCCCCCCCCONCCCCONCONCCCOOCONCCCCNCCCCCCCONCCCCCONCCC

原子	209	CD1	ILE A	13	38.879	11.099	3.147	1.00	19.13	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	213217218220221223225229233234236237239242245248250251254257258260261263265268272276277279280282286287289290292296297299300302305306308310312314315317318320323325329333334	CG2CONCACBCG1CG2CONCACBCGCDNECZNH1NH2CONCACBCG1CD1CG2CONCACBCONCACBCONCACBCGND1CE1NE2CD2CONCACBCGCD1CD2CO	ILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AILE AILE AILE AILE AILE AILE AILE AILE AALA AALA AALA AALA AALA AALA AALA AALA AALA AALA AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU A	131313141414141414141515151515151515151515161616161616161617171717171818181818191919191919191919192020202020202020	41.01039.50538.29040.27239.73640.81540.39941.11239.25938.17340.06239.64040.76042.01042.98344.11144.99645.99344.89238.36737.49338.24337.00937.15938.19538.69835.81435.83034.71636.06735.01135.49034.43733.23735.24034.73335.78833.50032.67633.41632.34232.86833.89133.57834.65935.66635.21031.08230.10231.08429.97130.39630.85631.44829.67929.51830.296	13.27215.66515.80116.38417.47217.94019.24216.75818.68519.23719.07620.10420.46221.02421.26322.04622.62323.32822.52319.72220.55618.48418.05016.64916.66915.26916.14218.14718.58617.75217.73116.99519.10019.20520.16121.52822.59021.82322.64221.18821.43321.11122.08223.11423.84423.31622.21520.62420.74719.80818.89617.43317.14315.74617.31818.97619.322	3.8882.8042.7443.6204.4905.5366.2986.5193.6683.8782.7061.7540.7771.3840.2200.647-0.1620.378-1.4840.9820.7740.555-0.070-0.646-1.782-2.224-1.1390.8970.5382.1433.1454.4453.4623.8413.2853.4533.2082.6002.9811.4440.467-0.960-1.446-2.309-2.529-1.854-1.1620.741-0.0051.8122.1101.8140.3840.227-0.5533.5554.439	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	16.6220.1615.9918.5617.2122.2921.2021.4718.2117.8213.7319.1714.0720.4324.2436.6945.8446.7838.7512.2018.9216.4414.6720.0120.4514.3616.0115.9718.1016.3215.4111.9115.0919.2618.7015.5717.3216.5018.0517.0617.2518.4817.0319.9917.2219.6125.0718.4315.9316.9516.3318.0518.9116.7621.7918.1817.79	CCONCCCCCONCCCCNCNNCONCCCCCCONCCCONCCCONCCCNCNCCONCCCCCCO

原子	336	N	PRO A	21	28.238	18.669	3.806	1.00	18.36	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	337339342345348349350351353356357358359360362363365368370374378379381382384386389393397398400401403405409413414416417419422423425427428430432434435437438441442444445447450	CACBCGCDCONCACBCGOD1OD2CONCACBCGCD1CD2CONCACBCG1CD1CG2CONCACBCG1CG2CONCACBCGCD1CE1CZOHCE2CD2CONCACONCACBCG	PRO APRO APRO APRO APRO APRO AASP AASP AASP AASP AASP AASP AASP AASP ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AGLY AGLY AGLY AGLY AHIS AHIS AHIS AHIS A	212121212121222222222222222223232323232323232424242424242424252525252525252626262626262626262626262727272728282828	27.74926.24426.00827.18028.12328.44028.04128.18428.07029.15930.26428.90727.20627.55125.99425.00723.83522.57821.81521.63525.59425.22126.48827.14027.32025.96125.05428.24728.49628.77829.32630.69231.45532.76831.75930.68831.50429.77029.68029.55430.82830.87832.09133.22734.45533.17331.99128.52728.13628.01326.81426.98126.06128.13828.31929.15730.625	18.64718.73518.01518.34717.33016.36817.29816.06816.39417.34317.42118.01314.98013.78015.37514.44915.21114.44213.80215.37013.54612.38914.09013.30614.13214.48513.26313.39412.77911.57813.64713.23014.35613.84915.49311.97911.06711.97010.88711.48012.18613.56214.20613.43013.96212.07011.4659.9409.1579.9669.2157.7186.9567.2865.8755.1595.452	5.1554.9733.7012.8305.8205.1397.1387.9229.4149.8939.28010.9267.5537.6687.1226.5635.9695.5026.6694.7305.4845.3954.6443.6212.3171.7041.4261.3044.1074.0004.6835.1035.7676.4494.7066.0025.8056.9717.9469.3609.7869.98110.32010.51910.87510.3209.9507.6558.5246.4276.0925.9196.2235.4375.0596.1296.006	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	17.3719.5018.7014.3617.8921.0019.5320.1420.6922.7021.8425.9419.5520.6523.0019.5923.1226.5025.1927.5120.9722.7119.1217.1218.0919.9418.2514.0418.6918.5416.2515.9918.4620.3016.6418.2416.3222.5225.9724.8721.9421.9122.0323.9227.6526.5424.7228.8928.9824.9828.9132.7536.6032.9247.3653.1662.35	CCCCCONCCCOOCONCCCCCCONCCCCCCONCCCCCONCCCCCCOCCCONCCONCCC

原子	451	ND1	HIS A	28	31.264	6.417	6.759	1.00	68.69	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	453455457459460462463465468469471473475477479480482483485488490491493494496499502505506507508510513516517518519520522523525528531534536537540543544546547549552555558559560	CE1NE2CD2CONCACBCGCD1CE1CZCE2CD2CONCACBOGCONCACBCGCDCONCACBCGCDOE1OE2CONCACBCGCDNECZNH1NH2CONCACBCGCDCON	HIS AHIS AHIS AHIS AHIS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ASER ASER ASER ASER ASER ASER APRO APRO APRO APRO APRO APRO APRO AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG APRO APRO APRO APRO APRO APRO APRO APHE A	282828282829292929292929292929293030303030303131313131313132323232323232323233333333333333333333333434343434343435	32.54332.75231.56527.01326.41526.58225.39124.16524.48124.30324.57825.04525.21024.93025.66426.76024.65524.77223.38022.82225.38425.53025.77226.12826.85926.29225.94924.92225.00023.82822.62221.46020.93519.99820.14419.11122.23722.41821.70321.14922.06523.42723.27224.53125.03824.43826.18419.80719.72618.74218.68817.27216.48417.41018.85618.64119.301	6.4655.5854.9485.1214.4555.2454.5605.5036.9177.9959.3359.5668.4787.1623.8103.8683.0922.1481.6030.9452.7113.9431.8022.2030.967-0.1770.3512.5253.3971.8131.9701.2371.9661.1261.1350.4673.4504.3083.7165.0045.7606.1387.0917.5227.0676.1137.5584.7393.9435.3916.3426.9225.8225.2095.6764.4866.440	6.4195.4565.1684.7155.5603.4602.9702.8522.4003.2732.8621.5680.6831.1131.6631.1151.1930.080-0.2530.868-1.197-1.354-2.108-3.468-4.019-3.257-1.895-4.326-5.171-4.104-4.890-4.210-2.968-2.127-0.887-2.704-5.120-4.254-6.301-6.623-7.589-6.982-5.832-5.240-4.096-3.411-3.638-7.248-8.180-6.744-5.627-5.742-6.336-7.347-4.276-4.149-3.289	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	67.2666.4565.8548.5054.6849.1643.6643.6636.8234.1832.3029.6233.5935.3346.8450.9650.8856.2958.5163.8858.7754.1957.3257.4658.9759.3958.5952.5758.2750.2752.0055.3261.4263.7164.6266.4549.6845.8444.3443.7240.5340.4335.8636.8038.6137.7344.4541.8346.8438.9635.6837.7834.8436.6135.2431.5229.90	CNCCONCCCCCCCCCONCCOCONCCCCCONCCCCOOCONCCCCNCNNCONCCCCCON

原子	561	CA	PHE A	35	19.313	6.003	-1.910	1.00	28.46	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	563566567569571573575577578580581583586589590594595597598600603604605606607609610612615616618620621623625627628630631633636637639641643645647648650651653656657658659660662	CBCGCD1CE1CZCE2CD2CONCACBCGSDCECONCACBCGOD1OD2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1CE1CZCE2CD2CONCACBCGOD1OD2CON	PHE APHE APHE APHE APHE APHE APHE APHE APHE AMET AMET AMET AMET AMET AMET AMET AMET AASP AASP AASP AASP AASP AASP AASP AASP ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP AGLY A	353535353535353535363636363636363637373737373737373838383838383838383838383939393939393939393939404040404040404041	20.72120.75620.55120.55820.75520.95620.94518.45318.62917.60116.73315.26814.94414.51615.88316.90517.09616.87416.88518.27718.44717.58019.45215.89715.46115.51014.41413.12812.83013.37613.13512.34512.10211.77812.03114.82415.34614.58714.95816.45816.99116.93817.40217.91017.97917.51414.12313.25814.39113.72412.90211.74610.68511.91914.78115.93214.389	6.0785.9114.6494.4825.5956.8577.0056.9818.1826.4737.3087.1467.7146.4965.3426.9575.7877.9757.7868.0417.4786.6827.8578.7329.6848.4599.1818.3167.7576.5456.0466.7616.2677.9698.4649.4948.63510.71711.11311.39212.38013.73914.63714.19212.86211.93612.32012.76512.83314.02613.71212.77113.23011.56015.07614.75216.334	-1.3260.1850.7632.1382.9712.4011.016-1.145-1.292-0.2740.5380.119-1.268-2.549-2.4532.0012.3572.8494.3044.8786.2956.7756.9224.9174.2676.1536.8036.7695.3824.9633.6972.8191.5603.2074.4788.2328.9268.67810.02910.1309.0869.3248.3917.1856.9057.87010.4759.74611.66912.17113.43313.14912.70013.32712.47812.71212.458	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	28.3231.8537.4838.2240.4735.2935.4225.8622.5125.5629.9837.2942.1864.9454.5529.4831.0130.7531.9837.4443.0943.8144.4331.7331.5730.4333.0035.1241.4442.2943.7444.6949.3548.0543.4831.5931.2829.2725.9322.5822.4524.6023.3426.1320.2527.4324.9426.4225.1726.2729.3630.8038.1040.0523.7727.6423.73	CCCCCCCCONCCCSCCONCCCOOCONCCCCCCOCCCONCCCCCCCCCONCCCOOCON

原子	663	CA	GLY A	41	15.320	17.393	12.835	1.00	20.97	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	666667669670672674678682683685686688691693697701702704705707710713714718719721722724727728730732734736738739741742744746750754755757758760763764765766767769770772774777781	CONCACBCG1CG2CONCACBCGCD1CD2CONCACBCGSDCECONCACBCGCD1CE1CZCE2CD2CONCACBCG1CG2CONCACBCGOD1OD2CONCACBCG1CD1CG2	GLY AGLY AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AMET AMET AMET AMET AMET AMET AMET AMET APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASP AASP AASP AASP AASP AASP AASP AASP AILE AILE AILE AILE AILE AILE A	414142424242424242434343434343434344444444444444444545454545454545454545464646464646464747474747474747484848484848	14.68013.47815.50315.15115.49914.96814.96315.96217.20915.28315.89615.10215.22814.20716.60815.88414.93016.95017.07418.20418.46020.05919.72817.35718.29316.53116.68915.35315.36015.21115.17115.25315.37915.41317.10016.32218.31618.83620.23920.59920.34718.85319.54518.04617.79016.38416.12615.05816.96918.80718.79819.70120.80222.16822.27323.67922.382	18.76418.91219.76221.16121.90523.33121.13221.78321.59522.54223.17722.83521.40921.24421.07524.67925.21825.34326.78027.21228.73629.19229.06827.27826.82928.19428.84428.85229.44628.63029.14730.50331.35430.82630.25330.99630.62831.99632.06033.50031.21832.71832.28933.77634.49735.09235.95636.57336.00435.60336.49035.51836.48035.76034.82534.19834.964	12.78012.52313.05912.95014.22414.14115.46911.85111.78911.0089.8518.5838.0326.9227.50710.04510.6059.5919.63110.54710.55011.24513.0098.2207.5997.7396.4315.7314.3433.2501.9691.7542.8204.1366.7067.3156.3046.4987.0967.3978.3635.1514.2065.0713.8353.8112.5742.5031.6623.8194.6932.8532.7282.7041.5071.3274.036	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	21.9822.3320.4718.5820.3719.6821.8918.9420.9222.3224.9522.5623.7626.6625.2625.2421.7523.7118.8621.5924.0324.8326.2722.8518.2821.9124.9526.8630.7131.2733.3335.3134.1237.6722.1726.3322.0019.3925.5319.3621.7428.0725.0525.1827.8932.6235.6346.2235.1225.3127.7325.5325.0129.4227.0826.6527.43	CONCCCCCONCCCCCCONCCCSCCONCCCCCCCCCONCCCCCONCCCOOCONCCCCC

原子	785	C	ILE A	48	20.641	37.375	1.483	1.00	30.81	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	786788789791794796797799800803804806807809812813815817819821823824826827829831833837838840841843847848850851853856859860864865867868870872874878879881882884887890891892893	ONCACBOGCONCACONCACBCGCD1CE1CZCE2CD2CONCACBOG1CG2CONCACBCONCACBCGSDCECONCACBOG1CG2CONCACBCGCDOE1OE2C	ILE ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ATHR ATHR ATHR ATHR ATHR ATHR ATHR AALA AALA AALA AALA AALA AMET AMET AMET AMET AMET AMET AMET AMET ATHR ATHR ATHR ATHR ATHR ATHR ATHR AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU A	484949494949495050505051515151515151515151515252525252525253535353535454545454545454555555555555555656565656565656	21.57119.45918.99217.45317.01719.35219.61919.23919.45320.76720.84121.79823.13424.10024.24423.46823.61324.54325.32225.16923.78924.91823.12523.54423.27721.86324.05622.83723.01222.00721.50220.36322.61822.52823.65724.90425.98926.06327.60327.53625.55526.40025.19225.99425.50025.66426.27026.16427.28125.08525.19123.79122.77123.23423.27223.55626.120	38.09137.30938.21938.20437.31439.68340.37840.17641.59542.11243.27341.26141.64941.77640.51440.32839.20138.23438.40539.53840.79041.07939.73839.09637.59737.34836.95839.73639.31440.72941.68542.47242.64043.24042.77943.53943.26744.21244.09042.41343.23744.00242.13841.63540.23339.29939.72142.61442.87543.17043.89744.25543.06441.88540.71342.14245.141	1.1270.855-0.204-0.236-1.198-0.061-1.0591.1641.4550.9310.5180.9410.4731.6612.5013.6454.4324.0852.9482.163-0.640-1.025-1.127-2.376-2.372-2.241-1.216-3.568-4.716-3.270-4.249-3.626-4.700-5.778-3.861-4.181-3.107-1.883-0.845-0.197-5.563-6.014-6.226-7.353-7.823-6.747-9.044-8.536-8.943-9.080-10.354-10.912-10.968-11.839-11.339-13.038-10.267	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	28.6326.6628.7826.1636.9332.3835.2033.4734.2337.5543.1936.3439.9641.3242.8836.1939.6537.2638.2641.2939.4035.4138.7241.2541.3335.6136.9745.4747.4948.5450.9350.5353.3751.4356.8957.1358.3060.4366.4344.4255.5154.6052.9349.5049.5450.9345.6450.3744.2650.4248.4852.7251.3255.6036.7558.4247.21	ONCCOCONCCONCCCCCCCCCONCCOCCONCCCONCCCSCCONCCOCCONCCCCOOC

原子	894	O	GLU A	56	26.842	45.476	-11.239	1.00	43.90	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	8968978999029059089119159169189199219249259279299319339359369389399419449469479499509529559579589609619639679689709719739769799809849859879889909939949969989991001100310051006	NCACBCGCDCENZCONCACBCGCD1CE1CZCE2CD2CONCACBOGCONCACBOGCONCACBCONCACBCGSDCECONCACBCGCD1CE1CZOHCE2CD2CO	LYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ASER ASER ASER ASER ASER ASER ASER ASER ASER ASER ASER ASER AALA AALA AALA AALA AALA AMET AMET AMET AMET AMET AMET AMET AMET ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR A	575757575757575757585858585858585858585859595959595960606060606061616161616262626262626262636363636363636363636363	26.14227.04626.71527.05427.26027.70927.74328.55129.38928.89330.29530.49230.52429.38829.42130.59631.73531.69130.84332.06129.94330.34929.31129.45130.66931.27730.30130.64829.91530.24332.15733.00032.47233.83233.79934.52035.74133.71234.19032.95832.92331.38330.22235.10836.09734.79735.56634.68033.77832.46431.65732.17531.38833.48934.27336.75637.524	45.79246.93347.67146.93447.89347.13747.95346.57347.44145.30244.90043.65543.96543.93544.25344.62844.68344.37244.75944.64144.79244.90244.26042.84846.32946.50747.34648.71449.75749.67948.99948.33150.01250.45351.64050.87050.90251.26251.67352.02751.69852.34151.03050.62350.97949.33948.22647.00247.30047.69148.02347.98248.31747.61647.27947.86846.936	-9.105-8.902-7.600-6.325-5.141-3.907-2.668-8.908-9.147-8.657-8.611-7.740-6.276-5.530-4.169-3.572-4.321-5.671-10.009-10.200-11.000-12.418-13.343-13.319-12.891-13.936-12.130-12.529-11.696-10.338-12.537-11.870-13.329-13.582-14.548-12.314-12.235-11.337-10.034-9.212-7.799-7.111-7.536-9.378-8.730-9.595-8.993-8.730-7.573-7.773-6.706-5.429-4.354-5.212-6.270-9.814-9.478	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	38.8440.2142.4945.2649.7652.5054.2735.8931.6131.8726.6728.6526.8332.0436.5031.4530.9024.8530.8131.7634.7636.1640.5143.0236.3742.8337.2937.0038.1836.8436.7632.7931.1629.9823.5224.0628.0624.5927.2828.8838.6447.5051.1925.5324.5424.1722.5521.9028.0734.0034.2840.0143.3538.5633.6524.3020.98	NCCCCCNCONCCCCCCCCCONCCOCONCCOCONCCCONCCCSCCONCCCCCCOCCCO

原子	1008	N	MET A	64	36.927	48.638	-10.882	1.00	25.82	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	10091011101410171018102210231025102610281031103210331034103510371038104010431046104 9105110521055105810591061106210651066106 810691071107510761078107910811084108710881089109010911093109410961099110211031104110711081110111111131116	CACBCGSDCECONCACBCGOD1OD2CONCACBCGCDNECZNH1NH2CONCACONCACBCONCACBCGCDOE1OE2CONCACBCGCDOE1NE2CONCACBCG	MET AMET AMET AMET AMET AMET AMET AASP AASP AASP AASP AASP AASP AASP AASP AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AGLY AGLY AGLY AGLY AALA AALA AALA AALA AALA AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALEU ALEU ALEU ALEU A	646464646464646565656565656565666666666666666666666667676767686868686869696969696969696970707070707070707071717171	38.11639.32139.31340.26439.55137.98836.89638.94838.43339.08738.54639.16337.46938.49838.75538.16238.26739.34740.73841.85441.86241.35340.85041.36936.94236.90335.85034.52734.30733.74934.69434.47834.89535.26134.74236.50937.41638.78939.49439.10138.22839.68636.91136.85636.45735.84435.56236.80036.90537.33436.51734.53734.28233.69332.40631.56230.193	48.59749.04550.60051.50350.83647.18446.81046.32845.03744.65545.47946.50345.13343.95142.81044.32843.41543.93643.89744.22243.29343.52944.70642.56143.21842.91243.40643.19941.83141.74240.77339.40938.37739.16938.58539.64339.50140.01439.11339.33840.18838.64440.24639.70241.47742.25643.67744.51645.69446.79545.49341.65441.61841.20040.61140.28039.665	-11.666-10.812-10.769-9.525-8.000-12.179-12.613-12.188-12.720-14.038-15.196-15.511-15.729-11.679-12.005-10.437-9.285-8.311-8.946-7.964-6.836-5.625-5.314-4.699-8.579-7.377-9.322-8.799-8.164-7.076-8.874-8.396-9.467-7.120-6.175-7.106-5.964-6.389-7.406-8.856-9.184-9.706-4.717-3.603-4.915-3.844-4.326-4.511-3.548-3.953-2.283-3.359-2.154-4.297-3.948-5.187-4.951	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	25.3926.3128.2327.3327.3329.9439.8130.7330.6533.6335.7638.1135.7827.3025.3718.8922.0718.4521.7819.2720.5122.0820.8622.2619.4918.1220.8121.9219.4517.5519.6122.4417.1119.8921.7219.7417.9622.3222.4321.2722.5130.7819.3616.9517.6517.3521.1820.1119.4827.6916.4819.1820.4217.3918.6318.1019.50	CCCSCCONCCCOOCONCCCCNCNNCONCCONCCCONCCCCOOCONCCCCONCONCCC

原子	1118	CD1	LEU A	71	29.389	40.544	-3.991	1.00	26.24	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	112211261127112911301132113411381142114311451146114811511154115511561157115811601161116311651168117211761177117911801182118511871191119511961198119912011204120512061209121012121213121512181219122112231224122612281230123112331234	CD2CONCACBCG1CG2CONCACBCGCDOE1OE2CONCACBCG1CD1CG2CONCACBCGCD1CD2CONCACBCGOD1ND2CONCACBCGCD1CE1CZOHCE2CD2CONCA	LEU ALEU ALEU AVAL AVAL AVAL AVAL AVAL AVAL AVAL AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AASN AASN AASN AASN AASN AASN AASN AASN ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AHIS AHIS A	717171727272727272727373737373737373737474747474747474757575757575757576767676767676767777777777777777777777777878	29.43532.54831.85833.40233.59034.37535.88234.11534.18133.78335.09035.65136.67937.32838.42939.28038.47234.60134.51433.80232.81032.27631.60932.48031.35331.67631.21131.25830.23229.95028.69727.48028.48430.71530.03931.91332.47633.74933.43434.31432.16032.70432.63232.98033.16933.52033.66334.54634.65133.89233.99533.03332.91431.91531.97630.78129.502	39.49639.36639.25538.43837.21336.11036.36634.74737.47736.86438.43438.86539.96140.49041.46141.66742.01939.38438.92940.33440.93242.30543.08043.25042.12239.95839.88839.16838.13137.47336.68137.21336.69737.08236.72836.59935.61434.99833.97633.46233.67436.15935.39737.45938.12439.60340.38739.96940.68641.80842.52842.23041.51237.96337.51238.24838.154	-6.293-3.081-2.057-3.486-2.705-3.474-3.518-2.815-1.315-0.308-1.2490.016-0.2471.0210.7211.603-0.4120.9992.1390.5631.4620.9322.0723.327-0.2191.8032.9530.8161.025-0.321-0.5980.195-2.1532.0373.0031.8202.7502.1761.1050.4150.9674.1445.1254.2345.5275.3156.5997.6178.8048.97910.1547.9936.8196.3967.5405.8016.489	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	19.7021.0518.3618.6021.9023.7018.9325.3822.3021.3517.9723.5520.6722.1619.5215.7915.4218.3215.5917.9517.6921.9223.0727.1622.1113.5519.5520.1323.3820.8836.4838.8634.5720.5623.3219.2220.6622.5926.2223.2416.1821.2720.4521.1223.3023.5324.7527.4825.2526.2229.9128.5522.7423.0321.6721.3022.51	CCONCCCCCONCCCCOOCONCCCCCCONCCCCCCONCCCONCONCCCCCCOCCCONC

原子	1236	CB	HIS A	78	28.483	39.071	5.805	1.00	21.29	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	123912401242124412461248124912511252125412561259126312671268127012711273127612781279128112821284128812891291129212941296129913031307130813101311131313151319132313241326132713291332133513361337133813391341134213441347135013531356	CGND1CE1NE2CD2CONCACBCG1CD1CG2CONCACBOGCONCACBCONCACBCG1CD1CG2CONCACBCG1CG2CONCACBCGCDOE1OE2CONCACBCGCDCENZ	HIS AHIS AHIS AHIS AHIS AHIS AHIS AILE AILE AILE AILE AILE AILE AILE AILE ASER ASER ASER ASER ASER ASER AALA AALA AALA AALA AALA AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALYS ALYS ALYS ALYS ALYS ALYS ALYS A	787878787878787979797979797979808080808080818181818182828282828282828383838383838384848484848484848485858585858585	28.77929.13229.38029.21528.84628.99528.56429.05028.55228.45727.44427.52528.10829.38228.82130.70231.55233.02933.57831.08931.14730.69030.22030.09828.91328.70128.01926.78325.83625.44024.70824.64827.07426.48927.97828.34329.30729.95728.54628.95528.65729.81030.48031.53532.50333.78934.04334.53529.45729.59128.39027.34026.34126.84426.87427.62428.239	40.52941.35742.56742.55241.28936.71236.30535.94834.58833.97234.74234.35132.46133.71132.88233.92933.17833.63333.05133.29832.30934.50734.73736.31034.00533.50033.94833.21433.39534.87935.13832.42431.72031.01231.23329.82729.46628.07129.55929.43828.37230.28929.98131.02730.62331.44832.13531.41229.86128.97730.65730.61831.75633.10433.30434.59534.578	5.9864.9415.4096.7177.1056.5957.6625.4995.5144.0953.2601.7594.1506.4427.1586.4917.4047.3386.1698.8479.5919.24410.61110.91710.90412.0169.91110.0658.8838.6907.3569.01610.19811.0299.3739.4038.2548.4856.90510.74711.31411.26412.51912.82213.83713.78114.78512.75013.66614.52913.61114.64714.47414.82916.34316.70518.068	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	26.2031.3722.5031.1024.1720.8919.0517.1418.5423.6825.5327.5219.0118.3917.7218.7318.5116.3229.8622.1919.1620.0322.5820.4720.4316.9520.3519.7216.7120.5015.8618.1120.3322.4021.0819.6320.5519.5813.1020.0316.7819.1422.9326.3634.5241.2743.7444.6523.7820.6221.1824.1927.1332.6334.4435.3836.05	CNCNCCONCCCCCCONCCOCONCCCONCCCCCCONCCCCCONCCCCOOCONCCCCCN

原子	1360	C	LYS A	85	26.569	29.320	14.578	1.00	19.56	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	136113631364136613681372137613771379138013821385138713911395139613981399140114031406141014141415141714181420142314241426142814301432143414351437143814411442144414451448144914511452145414571458145914601461146314641466146814711475	ONCACBCG1CG2CONCACBCGCD1CD2CONCACBCG1CD1CG2CONCACBCGCD1CE1CZCE2CD2CONCACONCACONCACBCGOD1OD2CONCACBCG1CD1CG2	LYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AILE AILE AILE AILE AILE AILE AILE AILE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLY AGLY AGLY AGLY AGLY AGLY AGLY AGLY AASP AASP AASP AASP AASP AASP AASP AASP AILE AILE AILE AILE AILE AILE A	858686868686868687878787878787878888888888888888898989898989898989898990909090919191919292929292929292939393939393	26.28626.17225.47425.08524.62224.00226.32625.83827.59628.46729.79029.76831.23229.09028.74828.74828.94929.16729.66831.14231.64929.52527.93028.04426.75425.47924.35924.27725.16225.08424.08623.19123.27425.08823.98425.99625.88725.12224.77524.86624.17225.10226.30824.49725.19124.82125.54825.08226.60024.68023.48925.54825.15226.12626.14627.06325.666	28.67328.95127.69727.47526.03128.51226.54525.70926.50925.40925.46525.26425.37023.96025.34124.27226.47726.49127.88028.03129.49128.07526.04225.45426.27625.86626.83728.02429.07330.17330.21129.17928.09024.48124.04623.78722.37421.97320.80822.91522.60022.18922.32121.68821.18419.71019.00617.90719.47522.04322.02722.85723.61124.75125.87025.64525.395	15.59713.36713.17011.68211.45211.24013.70714.48013.31513.68012.91511.39410.82910.99815.20815.76615.87217.33017.76817.35917.46019.24118.10919.20717.51818.10117.74018.65818.54119.40620.37120.48519.63517.69218.00417.00516.75515.50715.33514.61813.37812.22512.30411.1599.9919.8208.6528.2688.1938.8378.5618.2257.0156.6417.7178.8225.296	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	24.1218.8018.9818.4118.8614.2020.4522.3119.0215.0018.7017.9319.1119.9620.3319.9520.9224.4028.0428.1936.2935.4025.5421.3320.4020.7420.4122.0417.8227.7722.2023.3923.5522.1222.7119.2220.0219.3716.9819.0619.0819.3022.9520.0917.9118.9124.2920.0318.7918.8325.2320.7317.0118.3126.4733.0116.06	ONCCCCCONCCCCCCONCCCCCCONCCCCCCCCCONCCONCCONCCCOOCONCCCCC

原子	1479	C	ILE A	93	25.014	22.618	5.865	1.00	16.39	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	148014821483148514881490149414981499150115021504150715101513151615201521152315241526152915301532153415361538154015411543154415461550155115531554155715581560156115621565156615711572157315741575157615771578158015811583158715881590	ONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCGCD1CE1CZCE2CD2CONCACBCONCACONCACACBCBCGACGBOD1OD1OD2OD2CONCACBCON	ILE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AALA AALA AALA AALA AALA AGLY AGLY AGLY AGLY AASP AAASP ABASP AAASP ABASP AAASP ABASP AAASP ABASP AAASP ABASP AASP AASP AALA AALA AALA AALA AALA ALEU A	939494949494949494959595959595959595969696969696969696969697979797979898989899999999999999999999999999100100100100100101	26.00023.80323.47421.96821.40520.00422.33823.89624.47823.57223.74722.54122.42621.48821.46520.41023.77623.15524.50524.50325.90926.74427.39628.17828.33027.68526.90523.81424.02223.01722.48120.94522.80623.18522.62722.95022.10422.57320.90019.98619.90218.66218.53318.80517.92919.84818.59217.86416.79319.72419.07720.23920.07418.68321.05821.70821.081	22.00322.47221.50321.23220.36119.89219.13321.96921.20423.21823.78323.42721.98921.80620.35320.05425.29725.88025.91327.35027.93127.84526.66026.56327.64628.84828.93527.55226.77128.61029.09628.86730.57031.12531.20832.60933.52834.63033.06933.89933.83734.10033.69635.02532.31435.71031.32135.07032.22033.38334.07032.20431.63431.07330.51929.93930.142	5.4455.3674.3334.3015.4075.0515.6682.9622.2202.6371.3020.4240.016-1.173-1.539-2.5061.3592.2270.4280.1880.0821.3391.6642.7733.6133.3202.167-1.178-2.148-1.265-2.544-2.651-2.550-1.514-3.698-3.828-2.969-2.633-2.592-1.783-1.816-2.528-2.483-3.740-2.293-3.880-2.667-4.553-1.769-0.3570.439-0.0251.3141.4541.6470.7712.919	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.000.500.500.500.500.500.500.500.500.500.501.001.001.001.001.001.001.001.00	20.2918.2015.9620.9922.6117.5118.3022.8720.6119.5222.0721.9826.3624.4923.6320.4019.7421.7820.7019.4620.0415.4921.2917.4719.0416.6919.9321.1520.1221.2224.4424.0929.4524.6028.8931.4431.5935.6529.1331.9430.9732.6128.8034.1931.7539.8431.3739.3531.8129.8925.4626.5322.3028.6425.6429.0019.75	ONCCCCCCONCCCCCNCONCCCCCCCCCONCCCONCCONCCCCCCOOOOCONCCCON

原子	1591	CA	LEU A	101	21.672	28.875	3.281	1.00	19.85	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	159315961598160216061607160 916101612161516171621162516261628162916311635163616381639164116441646165016541655165716581660166316641666166816691670167216741676167816791681168216841687169016931695169616991702170317051706170817101714	CBCGCD1CD2CONCACBCGCD1CD2CONCACBCONCACBCGCD1CD2CONCACBCGCD1NE1CE2CD2CE3CZ3CH2CZ2CONCACBCGCDNECZNH1NH2CONCACBCG1CG2	LEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AVAL AVAL AVAL AVAL AVAL A	101101101101101101102102102102102102102102103103103103103104104104104104104104104105105105105105105105105105105105105105105106106106106106106106106106106106107107107107107	23.08623.45224.49922.22220.72819.85420.89719.98619.27318.28517.01517.94920.80621.78420.41321.10221.81720.14718.93120.71820.01920.17919.74618.22420.13320.60021.81719.71520.00519.61420.53121.36222.00421.58120.64320.05620.41421.36221.94919.20217.98119.89619.27820.11519.62420.54120.06020.42821.29019.91119.25620.28518.08417.96517.84916.47318.185	29.09329.39430.53129.70928.09828.66626.78625.90324.98723.96624.69622.83825.07824.45925.06924.25225.16123.28423.53222.17821.07019.81818.45518.43317.32220.70820.56220.54519.85120.67721.84821.92223.13323.88523.10723.64224.91225.65925.15218.53518.52117.43916.12215.25213.84313.02311.66010.81711.1859.59015.53015.47415.13814.59215.74916.35815.282	3.8505.2885.3496.0674.1814.8214.2014.8863.8604.4354.9193.4465.8365.4277.1058.1349.1578.8218.8879.2949.9209.0609.6369.9338.64111.28911.42712.27513.52614.73015.08516.14416.17415.11114.39813.23812.85513.58114.71913.53413.75813.23513.11112.18312.01511.17911.04810.0809.14210.05114.53715.20015.01416.35617.38217.35318.759	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	24.8333.0827.1135.7121.0919.0217.5617.1920.3219.4024.4718.9518.4618.1118.1317.1216.8520.8416.6720.9222.5421.6319.5120.4716.2925.6726.5524.2520.6324.0822.2320.7824.0019.7824.9123.4421.3718.1917.7524.0520.9323.7724.4423.5324.1325.0926.4530.0929.1332.5730.6227.0732.6736.0935.6338.7445.89	CCCCCONCCCCCCONCCCONCCCCCCONCCCCNCCCCCCCONCCCCNCNNCONCCCC

原子	1718	C	VAL A	107	16.770	13.649	16.453	1.00	36.41	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	171917211722172417271730173117321733173417361737173917421745174817501751175417571758176017611763176617691772177517791780178217831785178817911792179317961797179918001802180518071811181518161818181918211824182718301833183718381840	ONCACBCGCDOE1OE2CONCACBCGCDNECZNH1NH2CONCACBCGCDCENZCONCACBCGCDOE1NE2CONCACBCGCD1CD2CONCACBCGCDCENZCON	VAL AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AASN A	107108108108108108108108108108109109109109109109109109109109109110110110110110110110110110111111111111111111111111111112112112112112112112112113113113113113113113113113114	15.88816.74715.61015.90717.17316.98615.83818.01114.41614.58713.21111.97210.73210.5289.3319.4689.91510.2869.98711.82911.36512.22612.14012.53811.50512.13811.10211.77813.01212.79814.01614.87516.35216.75616.47916.90315.77814.59015.27213.58713.23212.01812.28610.98213.24412.90213.30612.13311.66510.82210.1309.4678.8998.29212.85412.90213.817	13.66112.81611.91310.94010.0898.8928.4788.35812.75713.85012.25313.02712.19312.03111.15510.5259.2888.4888.84613.57014.68612.78613.19912.04810.9289.6768.6917.64714.38515.06514.65815.79715.36614.55715.30116.44914.63317.02118.02716.94118.08217.74116.88216.56217.61519.31320.43119.11620.22519.70220.78320.16421.22520.68521.06722.26120.446	15.60017.49617.72518.85618.67417.76217.51317.29818.10718.63917.86118.10117.76516.28815.97514.66114.44015.44313.18819.50719.68320.50721.92122.84522.91923.53424.05524.88322.25723.27021.43121.72221.68222.94824.28824.48825.20520.85520.97419.98519.12418.25817.03216.31916.08719.93219.59821.00321.79722.97123.80425.05325.96727.23022.26622.05122.910	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	34.2242.3440.2247.2052.1853.5857.3963.8937.6334.4237.2039.3842.7351.6157.9962.3565.3865.3466.1234.7736.1536.7934.8139.0948.8454.9959.0862.0134.0029.1431.9729.7037.0343.8549.0359.6552.7427.0029.1627.9427.8029.1329.2730.7431.1329.6529.9232.6431.5932.5339.8845.1851.7554.5727.9531.1425.27	ONCCCCOOCONCCCCNCNNCONCCCCCNCONCCCCONCONCCCCCCONCCCCCNCON

原子	1841	CA	ASN A	114	14.952	21.188	23.449	1.00	23.06	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	184318461847184818511852185418551857185918621866187018711873187418761878188118851889189018921893189518971899190319041906190719091911191519191920192219231925192719311935193619381939194119431946195019541955195719581960196319661969	CBCGODNDCONCACBCGCDCG2CONCACBCG1CD1CG2CONCACBOG1CG2CONCACBCG1CG2CONCACBCG1CG2CONCACBCG1CD1CG2CONCACBCGCDCE	ASN AASN AASN AASN AASN AASN AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE ALYS ALYS ALYS ALYS ALYS ALYS A	114114114114114114115115115115115115115115116116116116116116116116117117117117117117117118118118118118118118119119119119119119119120120120120120120120120121121121121121121	15.71214.95914.08215.28715.89816.47516.00316.86517.18518.17719.59517.77116.29117.04214.96014.33112.77512.36810.98412.13814.73415.04214.80715.26015.24313.90515.83316.69717.01817.57618.95619.77621.12520.00518.97819.72818.15618.14617.38717.28718.11217.59618.06016.61316.09014.80913.64412.39714.51017.16217.38117.87718.99319.63820.74720.16321.209	20.31920.18421.01619.16321.74122.79021.05721.50420.34219.40720.08720.88022.69123.55122.77523.98223.83822.85222.19025.20125.21526.30525.07126.18325.81425.54926.92726.60927.79425.63725.93324.63524.89324.01126.68927.63826.24226.81925.91426.56424.53928.25529.13228.50729.87329.88629.24828.80731.33530.79131.88030.34631.14230.46731.29132.38033.339	24.44825.74926.05826.51922.39722.59321.27020.18419.19119.85720.09317.87119.46519.02919.36618.84818.79317.69317.87418.58019.65819.11820.96221.79823.30723.72724.12621.47921.43621.28520.89520.75619.98722.14019.54719.37018.60517.27016.28414.89116.18417.29816.56618.15918.33119.23118.47319.35719.74918.89718.39019.91720.45021.66322.35223.21023.790	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	27.9829.7735.6630.7222.7723.8024.4424.1027.1231.2733.5832.6224.3222.8321.7619.0920.8322.5820.3613.1818.0724.4626.0822.1126.9630.5922.7925.7321.9825.2123.0125.1724.5924.5921.7320.9221.6819.7418.9621.5320.9925.9424.1025.6522.3122.6226.5322.2823.7518.3522.5322.6325.2527.6932.4738.9244.58	CCONCONCCCCCCONCCCCCCONCCOCCONCCCCCONCCCCCONCCCCCCONCCCCC

原子	1972	NZ	LYS A	121	22.177	32.656	24.664	1.00	50.73	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	197619771979198019821985198719881990199119931996199819992001200220042007200920132017201820202021202320262029203020312032203320352036203820402043204720512052205420552057206020612063206520672069207020722073207620772079208020822085	CONCACBSGCONCACBOGCONCACBCGCD1CD2CONCACBCGCDOE1OE2CONCACBCG1CD1CG2CONCACBCGND1CE1NE2CD2CONCACONCACBCG	LYS ALYS ACYS ACYS ACYS ACYS ACYS ACYS ASER ASER ASER ASER ASER ASER ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AGLY AGLY AGLY AGLY ALEU ALEU ALEU ALEU A	121121122122122122122122123123123123123123124124124124124124124124125125125125125125125125125126126126126126126126126127127127127127127127127127127128128128128129129129129	20.05420.58220.39521.32121.47922.70420.85921.65119.58918.98917.51117.32219.08719.45218.76518.84618.23416.72616.26115.98920.28920.53421.26322.66723.56023.34524.57025.67724.42023.13423.97022.58622.88922.27323.01822.30622.26822.37823.10921.11420.58119.14418.15218.06517.09616.56917.22221.48621.72221.99322.92424.21524.83024.63225.79526.19726.570	31.38132.47430.33830.49129.16329.27731.58232.49131.50432.49232.19730.89233.91034.85234.10035.44235.45035.21835.01036.38635.94937.13335.06235.47034.39934.29233.83433.71333.59235.85636.74635.21035.56334.52133.17932.01735.04136.96537.81637.22238.58338.65238.00238.30337.59136.81937.04439.57440.67939.16339.96040.37941.38239.62740.01438.87637.543	19.37119.26818.61817.49516.73615.40816.53216.16516.13315.23615.01714.54815.76215.04717.02317.60019.02519.07720.52518.44217.63317.45517.88117.86618.49820.02620.81220.23722.04216.45116.28315.43714.01913.05413.19512.54611.60613.69813.17814.02713.90014.40713.50012.15811.60812.53813.72914.64914.19115.80016.58615.88716.25414.87414.09213.15213.810	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	25.3621.7120.7617.0716.7122.5619.6121.6221.5520.3726.1220.2822.2623.8126.0924.6829.1426.9630.4628.7026.8724.4830.3826.9031.3836.6643.7449.4051.9323.0021.3725.0622.9319.7816.1819.1615.7625.3623.3825.9525.3823.7518.6125.8921.4222.5522.3226.8531.5226.1029.5932.0326.9631.1930.4129.6828.09	CONCCSCONCCOCONCCCCCCONCCCCOOCONCCCCCCONCCCNCNCCONCCONCCC

原子	2087	CD1	LEU A	129	26.538	36.457	12.796	1.00	24.23	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	209120952096209820992101210421052107210921112113211521162118211921212124212721282129213021312133213421362138214021442145214721482150215321562157215821612162216421652167217021732174217521762177217921802182218521862188219021912192	CD2CONCACBCGCD1CE1CZCE2CD2CONCACBCGCDOE1OE2CONCACBOG1CG2CONCACBCGCDOE1NE2CONCACBCGCDOE1OE2CONCACBCGCD1NE1CE2CD2CE3	LEU ALEU ALEU APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATHR ATHR ATHR ATHR ATHR ATHR ATHR AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP A	129129129130130130130130130130130130130130131131131131131131131131131132132132132132132132133133133133133133133133133134134134134134134134134134135135135135135135135135135	27.93325.52726.44924.27023.92423.09023.78823.34124.00325.14425.60724.93223.23022.67723.32122.60022.78521.75322.06123.13621.21022.92722.10524.10724.44525.08926.14724.06125.41926.62424.90725.77226.16927.04527.88929.11227.25025.20024.07725.99625.70124.61525.06125.35226.10624.82926.99928.08026.89928.02528.64829.25628.93529.69230.52830.28531.021	37.65041.28542.00741.53442.57941.97140.78939.50138.41638.62739.92640.99043.79344.60843.93544.99044.80743.86943.45343.81342.74346.43347.32046.67147.98748.91248.21349.38847.84648.05647.49447.17145.68445.32044.09144.18342.93247.53547.15948.27048.57749.66351.12751.46752.43850.78449.00048.90449.43050.08649.17847.89546.62345.71046.38147.76348.679	14.47313.27312.95312.92111.94410.81110.13710.3279.7448.9788.7939.37912.55911.83713.88214.62716.13616.73418.17918.72418.76214.24014.45513.67613.11614.17614.84515.20211.95212.13610.7669.6109.63910.84110.62210.51110.5628.2257.8867.4446.0355.9186.1647.6277.8648.5365.3195.9094.0563.3522.2632.7782.3903.0843.9403.7724.541	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	33.3730.0228.4228.6832.1328.0229.7727.1530.8728.8328.9127.4240.1335.8849.8659.4459.6661.3164.5561.7864.6165.3368.4674.5481.5182.3684.5084.7486.6987.6192.4696.6096.4897.4998.29101.05100.0499.43100.55102.58105.20106.18107.78108.59107.11109.90106.63107.14108.07109.01109.25109.06108.60108.46109.10109.01108.62	CCONCCCCCCCCCONCCCCOOCONCCOCCONCCCCONCONCCCCOOCONCCCCNCCC

原子	2194	CZ3	TRP A	135	31.969	48.190	5.442	1.00	108.76	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	219621982200220122032204220622092212221322142215221622182219222122242227222822292230223122332234223722382240224122432246224822522256225722592260226222652266226722682269227122722274227622792283228722882290229122932296229923022304	CH2CZ2CONCACBCGCDOE1OE2CONCACBCGCDOE1OE2CONCACONCACBCGCD1CD2CONCACBCGOD1OD2CONCACBCG1CD1CG2CONCACBCGCDNECZ	TRP ATRP ATRP ATRP AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLY AGLY AGLY AGLY ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AASP AASP AASP AASP AASP AASP AASP AASP AILE AILE AILE AILE AILE AILE AILE AILE AARG AARG AARG AARG AARG AARG AARG A	135135135135136136136136136136136136136137137137137137137137137137138138138138139139139139139139139139140140140140140140140140141141141141141141141141142142142142142142142	32.19131.47927.55026.88827.90727.42427.48526.99726.29426.63225.39625.99925.01425.90524.61723.96722.59822.65723.50421.84923.65523.61122.89721.96122.56023.63121.88522.13823.48923.72124.31722.43422.02722.73121.15520.66319.37118.45917.22818.98721.72722.24022.07622.99724.39024.95126.43725.34522.36822.89821.22920.52119.41619.95718.85117.98116.903	46.80745.88851.43452.19851.73352.92452.67351.27851.26352.09050.41253.37152.76554.43155.01455.80056.43657.47058.39057.37053.96353.75953.30152.26650.90150.58150.12448.68348.41547.00546.05946.43247.95548.28846.95246.49945.68445.81745.86145.88945.79546.41144.55143.70544.29544.99345.39343.17443.27243.51042.61541.95342.84844.08444.85845.47046.195	5.5834.8512.7773.4851.5240.798-0.719-1.146-2.492-3.370-2.6691.1770.7381.9862.4111.2491.5612.6812.6093.6302.9974.2162.1232.5292.2612.7831.4091.2280.548-0.0171.025-0.6032.5733.5422.6333.9333.7714.9714.8016.0964.8225.7684.5005.3115.5714.3324.5225.9766.6407.7336.4927.5718.1208.8079.4818.4838.770	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	107.91108.90109.53109.84110.13110.35110.14109.52109.35109.41108.38110.16110.41108.61107.48107.36107.05107.39107.34104.79105.57106.22102.3298.8795.7695.8990.8385.9386.0985.2284.7886.2580.2681.4270.3462.4258.3153.8847.1946.6258.3263.2647.3641.1741.6742.3544.5839.6937.9428.7127.4632.2432.1436.1238.9142.6749.42	CCCONCCCCOOCONCCCCOOCONCCONCCCCCCONCCCOOCONCCCCCCONCCCCNC

原子	2305	NH1	ARG A	142	16.529	46.386	10.035	1.00	50.01	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	230823112312231423152317231923232327232823302331233323362339234223452349235023522353235523572360236423682369237123722375237623782379238123842386239023942395239723982400240424052407240824102414241524172418242124222424242524272430	NH2ONCACBCG1CG2CONCACBCGCDCENZCONCACBCG1CD1CG2CONCAONCACBCGCD1CD2ONCACBCONCACBCONCACONCACBCG	ARG AARG AARG AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA AALA AALA AALA AALA AALA AGLY AGLY AGLY AGLY AHIS AHIS AHIS AHIS A	142142142143143143143143143143144144144144144144144144144145145145145145145145145146146146146147147147147147147147147148148148148148149149149149149150150150150151151151151	16.17419.93119.94919.41718.89219.83621.23019.99417.48517.01316.81815.54014.45814.28313.35413.30412.70515.74816.40115.18515.34116.19017.61618.60616.16113.98013.06313.84312.70213.19914.26212.44112.66612.95314.07214.18615.42311.51910.32911.88610.91810.72011.43312.62910.54210.93210.9549.9838.79810.5039.66210.35311.5679.57210.1189.0188.175	46.69740.69740.52639.81738.55037.34237.51937.15338.33639.05437.37236.84036.98238.39838.47139.91540.04735.35234.65634.85133.43133.25033.78833.84931.77632.72433.23131.60530.71129.45528.92628.97627.66827.83328.77228.81528.36626.66427.01125.39924.30123.97823.09323.01822.15220.95021.21519.83320.08718.60417.43016.37816.27615.61514.54013.59313.009	7.7766.9745.7377.8327.3637.7477.0519.2787.8778.7607.2807.7566.6846.1594.9154.3883.0208.0107.1929.1049.45210.73410.47511.69511.1569.55910.2138.8458.9539.6369.25010.63911.27112.78213.20214.76712.52911.05510.95910.98810.8189.37111.54411.84011.85012.59514.10112.25011.97112.21111.99011.15511.17410.3999.5979.10710.197	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	49.2027.6829.6126.6023.6528.8926.5819.6726.9930.6523.6028.3928.6731.8735.9237.1541.4623.0124.8824.5421.9924.1023.7315.7621.7024.6729.0824.8625.4830.1623.4825.3225.8923.9426.7720.7023.4225.3128.1224.9123.9925.5428.1627.0222.7622.3719.6925.8330.1528.3732.3629.8227.4426.9628.9834.0240.00	NCONCCCCCONCCCCCNCONCCCCCCONCCONCCCCCCONCCCONCCCONCCONCCC

原子	2431	ND1	HIS A	151	8.707	12.454	11.346	1.00	43.38	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	243324352437243924402442244324452447245024542458245924612462246424672469247024722473247524782481248224862487248924902492249524972501250525062508250925112513251725212522252425252527253025312533253525372539254125422544254525482549	CE1NE2CD2CONCACBCG1CD1CG2CONCACBOGCONCACBCGSDCECONCACBCGCD1CD2CONCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACO	HIS AHIS AHIS AHIS AHIS AILE AILE AILE AILE AILE AILE AILE AILE ASER ASER ASER ASER ASER ASER AMET AMET AMET AMET AMET AMET AMET AMET ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLY AGLY AGLY AGLY A	151151151151151152152152152152152152152153153153153153153154154154154154154154154155155155155155155155155156156156156156156156157157157157157157157157157157157158158158158	7.7176.5706.82810.84510.34811.99512.80614.05813.65314.77914.78413.28813.77313.11013.72412.73711.49814.89614.89315.88217.04318.30319.61621.06122.24217.08716.91217.36917.54916.55516.74316.36615.96718.96319.36919.67120.96222.08523.44822.29420.80720.33221.17221.07519.81819.77220.23120.19819.72419.23319.26722.36523.17022.58323.75024.18423.485	12.02112.26612.87615.10616.04514.51014.89315.75416.95017.56816.27113.63012.70713.56712.51511.92711.60213.09214.24912.25212.57812.34212.55211.83512.96111.64010.42612.20311.46011.92811.2749.77012.00711.71212.86510.63810.72910.03410.02610.72110.0588.93210.76610.21810.73112.22212.82414.20614.99714.39113.02010.53811.3789.84410.0748.8547.849	12.11411.50310.3008.3657.7298.0406.8797.2908.1668.9616.0286.1816.8444.8594.0303.0123.6073.2422.8712.9852.1913.0082.2203.0532.3851.0061.158-0.156-1.366-2.425-3.816-3.781-4.925-1.889-2.036-2.228-2.883-2.078-2.873-0.748-4.237-4.331-5.290-6.657-7.385-7.538-8.696-8.848-7.832-6.661-6.525-7.406-6.965-8.519-9.321-10.080-10.136	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	49.5048.4045.8828.0729.4025.9324.6028.8228.4829.3724.7928.2323.5027.4429.3731.9739.5828.8429.5627.6528.2428.5238.4547.1446.6826.1930.0022.5824.4925.5228.1925.8928.6925.4220.6220.6422.9724.7932.1823.1124.7224.6422.7123.6522.7821.9723.4724.1826.4825.6324.6823.8122.7819.2122.3223.4323.11	CNCCONCCCCCCONCCOCONCCCSCCONCCCCCCONCCCCCONCCCCCCCCCONCCO

原子	2551	N	ASP A	159	25.385	8.916	-10.619	1.00	23.40	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	255225542557255825592560256125632564256625692572257325742575257625782579258125832585258925902592259325952598259926012603260526072608261026112613261626182619262126222624262726282630263226342636263726392640264226452646264826502652	CACBCGOD1OD2CONCACBCGCDOE1OE2CONCACBOG1CG2CONCACBCGND1CE1NE2CD2CONCACBOGCONCACBCGND1CE1NE2CD2CONCACBCGCD1CE1CZCE2	ASP AASP AASP AASP AASP AASP AASP AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATHR ATHR ATHR ATHR ATHR ATHR ATHR AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ASER ASER ASER ASER ASER ASER AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS APHE APHE APHE APHE APHE APHE APHE APHE A	159159159159159159159160160160160160160160160160161161161161161161161162162162162162162162162162162163163163163163163164164164164164164164164164164165165165165165165165165	25.85925.95226.95827.79326.88227.15727.38127.98929.22129.78828.93829.23330.32328.38530.27731.16730.18531.19431.85430.89332.30530.71131.54629.40428.79328.27029.31830.52731.25730.57229.35827.65126.94027.53026.46326.96727.47225.86126.56924.55423.87623.04723.86724.39225.06525.01124.25222.94322.51922.65321.59722.17022.52921.63921.94923.15524.049	7.8118.2239.3179.6169.8997.3197.4746.6886.1225.1603.9102.8552.9331.9387.1756.8868.3779.4109.87410.5538.71010.64611.33510.90012.09513.05013.45714.00514.23013.84413.35511.72010.73912.47412.29011.62910.35413.63114.63113.63614.81815.44315.86417.12917.21516.04015.18414.37813.23315.25014.96214.63315.85016.36817.50618.13217.656	-11.412-12.881-13.125-12.242-14.208-10.828-9.628-11.649-11.172-12.211-12.404-11.360-10.738-11.167-10.815-10.035-11.373-11.099-12.418-13.198-13.182-10.317-9.714-10.320-9.693-10.780-11.775-11.400-12.472-13.528-13.118-8.749-8.960-7.655-6.696-5.434-5.696-6.318-6.262-6.033-5.543-6.667-7.849-7.973-9.105-9.712-8.954-4.458-4.468-3.503-2.519-1.155-0.3420.5851.3141.1300.200	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	23.5724.9525.4926.0623.3028.5425.9427.5430.6436.7244.5754.5961.7665.7325.6628.7123.0424.3924.1837.5825.2623.3124.3322.9521.0525.4034.3135.9538.9536.9835.1819.0820.4120.0019.8522.5821.6119.1318.0317.7119.0524.6723.0725.0626.1022.0926.9221.3522.8619.5720.1218.3418.8226.8625.0021.5023.28	CCCOOCONCCCCOOCONCCOCCONCCCNCNCCONCCOCONCCCNCNCCONCCCCCCC

原子	2654	CD2	PHE A	165	23.728	16.494	-0.536	1.00	19.42	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	265626572659266026622665266726712675267626782679268126832687269126922694269526972699270227062710271127132714271727182720272127232726272927302731273427352737273827402744274527472748275027522756276027612763276427662769277027712772	CONCACBCGCD1CD2C0NCACBCG1CG2CONCACBCG1CD1CG2CONCAC0NCACBCGCDOE1NE2CONCACBCONCACBCG1CG2CONCACBCGOD1OD2C	PHE APHE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AALA AALA AALA AALA AALA AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASP AASP AASP AASP AASP AASP AASP A	165165166166166166166166166166167167167167167167167168168168168168168168168169169169169170170170170170170170170170171171171171171172172172172172172172173173173173173173173	20.57420.83219.40418.29017.15017.41416.15617.93817.70317.78917.06816.19816.59617.76716.89014.77714.55613.82012.44312.14813.12312.85810.70011.47311.75310.3289.1718.6279.1057.6436.9285.7094.7064.0083.5263.9737.8367.7218.7319.68310.60010.49910.64210.99611.79412.38013.10013.36810.97711.4889.7088.8397.5497.8028.9456.8748.528	16.10317.24115.74816.64216.40216.39916.04117.76416.28015.12617.24716.94017.62816.87119.10217.28218.21616.54016.53315.26515.12913.88415.27616.46115.80217.12016.91518.21919.26518.17619.39719.06020.20820.55519.7221.84520.36521.59419.81820.66619.81321.52122.72020.88321.54420.52821.25219.57222.64723.73722.36823.35122.68821.54921.41720.77124.464	-2.406-2.822-1.867-1.636-2.629-4.117-4.884-4.503-0.293O.1440.3421.4782.7963.4882.6131.0700.2781.6301.1500.297-O.866-1.734-0.1972.3243.3112.1763.0513.5323.1214.4374.8415.7235.8714.5613.8554.2225.5825.4406.3957.1287.9916.1486.3455.0844.0733.0451.8853.7423.3873.1313.1172.4441.9620.9750.4750.6993.410	1.001.001.001.OO1.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.OO1.001.001.001.OO1.001.001.OO1.001.001.001.001.001.001.001.001.00	21.4221.3821.5025.8231.0333.9630.0539.7023.3623.7623.7121.7321.8720.6315.8524.7223.1027.5828.6230.4136.6445.2033.4528.9027.7229.7830.8429.2132.6032.3434.4737.3442.2447.1452.1350.9830.2828.5429.9331.3028.5625.7026.6724.7924.0925.3325.9924.8326.6627.8829.0729.3531.1631.5135.8040.2032.07	CONCCCCCCONCCCCC0NCCCCCC0NCCONCCCCONCONCCCONCCCCCONCCCOOC

原子	2773	O	ASP A	173	8.679	25.629	3.090	1.00	36.22	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	277527762778278127822783278427852787278827902792279628002801280328042806280928122815281728182821282428252827282828302833283528392843284428462847284928532854285628572859286228652866286728702871287328742876287928802881288428852887	NCACBCGOD1OD2CONCACBCG1CG2CONCACBCGCDNECZNH1NH2CONCACBCGCD1CD2CONCACBCONCACBCGCDOE1NE2CONCACBCGOD1ND2CON	ASP AASP AASP AASP AASP AASP AASP AASP AVAL AVAL AVAL AVAL AVAL AVAL AVAL AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AASN AASN AASN AASN AASN AASN AASN AASN AMET A	174174174174174174174174175175175175175175175176176176176176176176176176176176177177177177177177177177178178178178178179179179179179179179179179180180180180180180180180181	8.1417.7807.3596.0115.2875.6968.8598.56410.12311.19812.52513.23213.40911.31611.68810.95310.95510.91511.13812.59113.29113.49712.99814.1999.7189.8278.5497.2706.1685.7284.7395.1107.3616.8258.0188.2448.9459.0608.79310.03410.95412.15712.94812.33412.03212.14110.30810.6549.4118.8228.3727.4246.5637.5647.7267.2897.323	24.09925.09924.42423.74123.99622.95426.09327.24925.66326.53925.73625.40926.44527.71228.82527.42128.34027.46528.11628.21326.96626.52427.16825.41029.23530.47828.58729.26328.22727.25326.20628.02230.18831.28529.71230.49929.64531.76132.83231.63532.73332.23433.35333.76434.94532.78933.92335.06233.67734.79834.37833.18733.04332.33635.58536.64035.087	4.6325.6396.9376.8285.8207.7445.9556.2185.9476.3516.5425.1777.4905.3755.7474.1363.0051.7320.3920.000-0.356-1.599-2.646-1.7983.1533.2013.2773.5793.8472.7543.3321.5824.7994.8025.8467.0468.1136.7337.2805.8375.5344.7093.9832.6412.4181.7464.8285.1413.8633.0811.6631.6552.5300.6433.8193.3504.988	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	36.4533.0637.0540.533 9.8342.4632.4531.2129.8527.1329.4023.5125.3933.0835.4538.6445.8447.0051.4047.1244.1740.1434.9238.1749.9844.4754.3156.6657.3058.8153.2059.2256.2557.7158.2959.5458.6062.4864.5064.0767.2970.3373.4975.5075.6976.4266.3260.2469.8573.0476.0581.5987.3084.2970.5370.7067.22	NCCCOOC0NCCCCCONCCCCNCNNCONCCCCCCONCCCONCCCCONCONCCCONCON

原子	2888	CA	MET A	181	6.422	35.810	5.884	1.00	64.93	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	289028932896289729012902290429052907291129122914291529172920292329242925292829292931293229342937294029412945294629482949295129542955295629592960296229632965296829692970297129722974297529772979298329872988299029912993299529983002	CBCGSDCECONCACBCONCACBCGCDOE1NE2CONCACBCGSDCECONCACBCGOD1ND2CONCACBCGOD1OD2CONCACBCG1CG2CONCACBCG1CD1CG2	MET AMET AMET AMET AMET AMET AALA AALA AALA AALA AALA AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AMET AMET AMET AMET AMET AMET AMET AMET AASN AASN AASN AASN AASN AASN AASN AASN AASP AASP AASP AASP AASP AASP AASP AASP AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE A	181181181181181181182182182182182183183183183183183183183183184184184184184184184184185185185185185185185185186186186186186186186186187187187187187187187188188188188188188	5.7664.8984.2324.2137.1286.4918.4339.27510.3709.89610.13310.15310.91210.3378.8038.0688.3947.03812.34812.64213.23014.55815.32315.63416.60517.12914.51913.68415.42115.52815.58816.79217.74116.74914.47314.50313.57012.57511.31810.44610.7269.47113.11514.04712.51112.57413.31013.49014.67211.11810.30910.7859.4698.9358.9838.5377.537	34.83033.78732.65531.12436.86837.50937.04637.69036.71738.99339.18139.88541.09542.27642.30842.85443.92642.13740.85639.88841.76941.74342.98743.00541.58142.25241.65842.29240.85240.59641.90342.79742.37044.04439.63939.33639.13038.16538.12539.38740.26839.47836.73636.33335.99734.54734.06932.54534.79934.02834.33333.27332.68032.87234.35335.32332.347	6.8586.2157.4576.5196.7367.5756.5427.5387.9697.0475.8667.9857.7498.5558.7137.5077.0087.0618.2238.9257.8718.4017.9666.4955.9244.3339.91710.55810.46511.90612.73112.36311.69912.81112.47613.66411.65212.14311.24811.37212.20310.61112.25811.53613.19313.26914.58414.62514.76313.21914.09412.17612.01510.56110.15611.25210.420	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	64.0565.7368.3965.9662.6266.5257.0249.8649.1345.1247.3041.7944.7746.2953.5756.1062.9258.2941.3739.5938.2839.6641.4943.6244.2246.1739.8336.9530.4935.2736.3143.4349.6152.1731.3631.6727.6231.4035.8736.2736.1039.9634.8131.0030.7329.7228.1423.2325.5030.6928.4327.9830.1530.1233.5429.6828.73	CCSCCONCCCONCCCCONCONCCCSCCONCCCONCONCCCOOCONCCCCCONCCCCC

原子	3006	C	ILE A	188	9.579	31.198	12.303	1.00	31.74	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	300730093010301230153017302130253026302830293031303430363037303930403042304530483051305230533054305630593060306130643065306730683070307330753076307830793081308430853087308930903091309330953097309931003102310331053108311131123113	ONCACBCGCD1CD2CONCACBOGCONCACBCGCDCONCACBCGOD1ND2CONCACBSGCONCACBCGCD1NE1CE2CD2CE3CZ3CH2CZ2CONCACBCGCDOE1NE2	ILE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ASER ASER ASER ASER ASER ASER APRO APRO APRO APRO APRO APRO APRO AASN AASN AASN AASN AASN AASN AASN AASN ACYS ACYS ACYS ACYS ACYS ACYS ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP AGLN AGLN AGLN AGLN AGLN AGLN AGLN A	188189189189189189189189189190190190190190190191191191191191191191192192192192192192192192193193193193193193194194194194194194194194194194194194194194195195195195195195195	10.5368.6078.5168.1979.0068.59110.5217.4156.3207.6676.6127.1147.4935.5105.7434.3163.2572.1182.2743.8163.7023.5294.3044.7445.2285.3176.2704.3135.8465.8396.7777.8358.75110.1617.2847.7166.3305.5934.6703.6782.3371.7422.6943.9375.0884.9643.7052.5664.8274.8614.1583.5232.8781.7700.6010.276-0.024	30.55930.64929.20328.90829.60729.03129.45828.61829.16927.49026.81325.55524.59126.44226.41626.13925.62425.27926.28426.31424.40724.40523.39522.20421.11619.77218.99919.45722.49121.96023.35123.79424.75425.31624.44624.13325.36425.98527.08727.67227.76628.36028.67528.26328.45529.06529.47129.27524.93324.93624.02122.87421.97921.10021.89821.84422.673	11.86913.03713.26014.72115.79717.14715.58312.40812.35911.76211.05710.37511.33712.05913.27811.55012.44811.46910.38710.17313.27814.48412.65113.39712.44613.10812.88513.92514.41415.51614.04614.95114.20815.19216.23017.34816.05917.19316.62717.57217.37418.45119.37618.85219.62020.87021.35620.62718.03319.26917.35217.99516.92917.42817.94919.14117.066	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	28.6828.4727.9627.6532.0426.9927.6526.8832.3927.1329.7927.6433.5728.7229.1530.1131.0630.2230.8830.3330.5230.5533.6830.9934.3837.7241.7435.3726.8328.8424.3424.2523.2826.7527.5927.0429.9631.7833.0936.2936.3834.6336.1636.6638.7339.8138.4537.1229.6628.0831.5438.5642.2552.4458.4664.5464.82	ONCCCCCCONCCOCONCCCCCONCCCONCONCCSCONCCCCNCCCCCCCONCCCCON

原子	3116	C	GLN A	195	4.495	22.046	18.848	1.00	37.45	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	311731193120312231253127313131353136313831393141314431463147314931503152315531563157315831593161316231643167317031733175317631793182318331853186318831913193319431963197319932023205320632103211321332143216321832213225322932303232	ONCACBCGCD1CD2CONCACBSGCONCACBCGOD1OD2CONCACBCGCDNECZNH1NH2CONCACBOGCONCACBCGSDCECONCACBCG1CD1CG2CON	GLN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ACYS ACYS ACYS ACYS ACYS ACYS AASP AASP AASP AASP AASP AASP AASP AASP AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ASER ASER ASER ASER ASER ASER AMET AMET AMET AMET AMET AMET AMET AMET AILE AILE AILE AILE AILE AILE AILE AILE AGLU A	195196196196196196196196196197197197197197197198198198198198198198198199199199199199199199199199199199200200200200200200201201201201201201201201202202202202202202202202203	4.1365.7266.7167.6127.0588.0806.6587.6128.3177.5978.5958.7957.5698.2657.1729.2279.05810.38510.26511.2699.2108.4809.1967.1646.4304.9494.6853.2293.0301.8480.7281.7836.6346.3547.1287.4747.7658.9988.6898.9079.49010.72911.66512.18713.41014.30010.52711.3829.4599.3409.7378.8108.76111.1927.9876.9338.054	21.59921.86320.96720.36819.23918.84418.02221.64420.96222.97223.72225.10926.39223.86023.50824.38024.63724.50724.67924.38225.13626.02927.02426.08727.37027.08726.38926.21325.82925.65925.82025.33228.23829.44427.62928.34927.33426.65029.24730.17928.93629.64228.72527.52727.87829.27930.89131.77730.93031.97531.47230.36930.34430.97932.65732.02333.960	19.94018.35218.97117.88416.98615.90017.78620.01220.78020.04520.79120.18220.55022.27422.71023.02824.46625.19126.69427.37827.19024.63024.67524.72124.73124.55823.25422.99921.61221.04121.73519.76725.96825.95527.03528.25129.37729.17228.05728.81827.05626.77625.96426.69427.95727.29725.94425.95725.14924.13922.72022.21120.73722.70324.03424.14523.797	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	35.8433.1630.2126.5632.8229.0932.0230.5128.8229.5227.8929.9632.2530.8229.6029.7932.6131.6135.3531.3536.7830.8231.6235.5637.7038.8336.8340.7341.1943.5346.8738.1939.7143.3537.6139.2941.4844.1338.9246.2738.8339.7739.5144.6042.6947.4436.5537.6138.0044.1546.0640.6237.0947.3346.0152.4348.22	ONCCCCCCONCCSCONCCCOOCONCCCCNCNNCONCCOCONCCCSCCONCCCCCCON

原子	3233	CA	GLU A	203	6.893	34.785	23.518	1.00	47.92	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	323532383241324232433244324532473248325032523255325932633264326632673269327232753276327732783279328132823284328732893290329232933295329733013305330633083309331133143317332033213322332333253328332933303331333233343335333733403343	CBCGCDOE1OE2CONCACBCG1CD1CG2CONCACBCGCDOE1OE2CONCACBOGCONCACBCG1CG2CONCACBCGCDCONCACBCGOD1OD2CONCACBCGCD	GLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ASER ASER ASER ASER ASER ASER AVAL AVAL AVAL AVAL AVAL AVAL AVAL APRO APRO APRO APRO APRO APRO APRO AASP AASP AASP AASP AASP AASP AASP AASP AGLN AGLN AGLN AGLN AGLN A	203203203203203203203204204204204204204204204205205205205205205205205205206206206206206206207207207207207207207208208208208208208208209209209209209209209209210210210210210	7.0166.0874.6094.3153.7446.8237.7435.7525.5305.2093.8862.6216.3514.4263.8014.2083.0203.2894.0454.2063.9444.5992.5113.3021.1820.496-1.030-1.4220.9971.4770.8721.1342.2322.3493.578-0.196-0.772-0.701-1.934-1.771-1.035-0.105-2.121-1.202-3.306-3.666-3.782-4.589-4.264-5.534-2.670-2.513-2.012-0.9540.4010.7710.944	36.13136.27836.31736.74235.91834.99635.56934.50234.65333.28732.67133.30532.32135.66636.23535.90036.61538.11338.55940.07440.63840.69936.05135.59836.09035.56435.79536.29436.24537.38035.53236.07935.26735.69335.41636.03734.95337.21937.36138.73939.51938.53836.30336.03835.69534.70135.37936.67137.60636.75433.53832.87433.29332.30732.98533.19131.878	24.23825.44825.04723.90325.87022.01621.43621.39919.96019.24619.71619.10419.43519.64820.55618.35717.90917.81016.58716.51315.43617.51516.59615.74516.43915.26915.35016.61914.01414.05512.90611.59010.8549.39711.56810.81310.62210.3909.6018.9619.98610.6858.5117.7418.4797.4626.0896.1445.3806.9677.4156.3828.5478.6338.4226.9606.204	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	54.3362.7468.8572.5172.5844.2240.3139.6143.0242.6843.5744.5040.4745.5143.3245.7345.7846.5051.0151.5557.7857.1445.8140.7444.9845.1447.0953.1644.6540.1148.2852.8852.4954.3150.2956.4955.7561.9264.5463.8064.1662.7867.0566.1471.7773.5575.0877.0078.9377.8073.7174.4772.4069.4969.6169.5972.09	CCCOOCONCCCCCCONCCCCOOCONCCOCONCCCCCONCCCCCONCCCOOCONCCCC

原子	3344	OE1	GLN A	210	0.925	31.858	4.973	1.00	72.37	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	334533483349335133523354335733603363336533663369337233733375337633783382338333853386338833903394339833993401340234043407341034133416342034213423342434263428343234363437343934403442344534463447345034513453345434563459346034623464	NE2CONCACBCGCDNECZNH1NH2CONCACBCONCACBCG1CG2CONCACBCGCDCENZCONCACBCG1CG2CONCACBCGOD1ND2CONCACBCGCD1CE1CZ	GLN AGLN AGLN AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AALA AALA AALA AALA AALA AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASN AASN AASN AASN AASN AASN AASN AASN APHE APHE APHE APHE APHE APHE APHE A	210210210211211211211211211211211211211211212212212212212213213213213213213213214214214214214214214214214215215215215215215215216216216216216216216216217217217217217217217	1.108-0.986-1.289-0.678-0.542-0.915-2.390-2.749-1.814-1.595-2.238-0.7130.8811.0941.8483.2434.1523.2862.4604.2314.3554.0502.6015.0435.7176.7035.7486.9686.6727.7777.2898.3268.6507.4106.5638.7179.29110.63211.24710.4109.55910.3058.9449.1877.9386.9237.2325.71310.36011.29410.32211.36911.00010.59011.55011.1719.832	30.77431.61432.24630.31529.53028.06427.80126.34225.40524.14723.62323.40429.59229.28629.96130.14430.42431.29632.21131.26532.34631.85931.34130.78933.04432.51134.26135.05136.48437.47538.89139.96340.13234.99135.03434.86034.85234.06934.14332.63036.27036.97336.71238.06038.67539.19539.33639.48538.02838.80337.11137.03237.85139.26940.24441.56641.908	6.9399.98310.9999.98011.21610.98510.67910.99810.36810.75811.79810.09311.78012.95910.93611.37110.18512.34412.25513.27614.25115.69115.79416.15614.18813.65014.71714.80414.35414.53714.18514.48415.93116.25717.14316.49217.84617.90519.29717.49818.26117.58519.35619.84720.51619.49418.31219.94920.78420.62621.74922.75724.01323.71223.44523.13523.093	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	73.4067.3867.3864.2161.4563.8469.0173.0477.4279.3879.3580.0955.0853.8047.2245.8139.2246.1651.9541.3736.2239.5937.0039.1737.4633.4132.8735.1132.6838.5943.4545.8152.1235.4332.1131.0630.9529.6229.4028.5335.8931.3336.4040.6442.8745.8550.5449.8141.8140.1643.0745.0647.8753.5556.8757.2157.51	NCONCCCCNCNNCONCCCONCCCCCONCCCCCNCONCCCCCONCCCONCONCCCCCC

原子	3466	CE2	PHE A	217	8.857	40.932	23.348	1.00	58.56	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	346834703471347334743476347934813485348934903492349334953498350135043507351135123514351535173520352335263527352835293531353435373540354135423543354535483551355435553556355735593562356335643567356835703571357335763577357935813583	CD2CONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCGCDCONCACBCGCDCONCACBCGCDCONCACBCGOD1ND2CONCACBCGCD1CE1CZCE2	PHE APHE APHE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO AASN AASN AASN AASN AASN AASN AASN AASN APHE APHE APHE APHE APHE APHE APHE APHE A	217217217218218218218218218218218219219219219219219219219219220220220220220220220221221221221221221221222222222222222222222223223223223223223223223224224224224224224224224	9.24311.59810.70512.82313.19514.51715.02014.14316.48213.37814.33512.44212.38311.08810.82711.31410.72411.13612.43311.39613.63813.85215.35815.90314.89113.50113.68213.05212.65512.25811.99312.89013.77114.95613.39514.28113.42912.14211.99515.59816.62615.60616.87916.68216.55616.72716.25617.58718.56217.10817.64316.74217.16016.89517.25117.90118.175	39.62135.58934.74735.32434.08633.53332.20531.06531.99734.49535.20334.06534.45435.22435.60437.00837.53038.94033.16532.54032.77731.52031.31632.74133.54631.61732.68030.49830.53429.08028.45229.15230.96430.86531.42431.87031.68432.14831.58531.14931.81229.83529.14827.98528.45329.63827.49928.64927.91129.04928.52428.94028.37427.05426.53927.34128.657	23.65023.15423.04523.58124.25323.69624.25423.75823.87825.70326.04526.53427.93228.19729.66029.97031.27231.50128.75629.00329.18429.89229.74229.81929.04331.38831.98132.00633.41733.72132.39631.42734.35934.00835.56636.61037.86237.40536.00536.73836.71336.88537.11938.11439.59439.92740.48135.82535.90434.64433.38232.21730.87330.54529.30428.37928.687	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	55.9440.7336.3043.1843.3243.7441.7238.7643.1246.0644.8947.2651.1254.2660.3365.2565.8667.9250.4350.4948.5152.4453.8353.6649.9151.3947.3050.4846.1148.9652.7150.8544.5637.8743.8344.7744.4443.2345.3145.6658.0143.7145.8350.7658.9363.9661.7843.8841.4142.1139.7841.2541.5338.3244.5240.6144.90	CCONCCCCCCONCCCCCNCONCCCCCONCCCCCONCCCCCONCCCONCONCCCCCCC

原子	3585	CD2	PHE A	224	17.798	29.177	29.931	1.00	45.09	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	358735883590359135933596359735983601360236043605360736103611361336153617361936213622362436253627363036313632363336343636363736393642364536463647364836493651365236543657365836603662366436663668366936713672367436773678368036823684	CONCACBCGOD1ND2C0NCACBCGCD1CE1CZCE2CD2CONCACBCGOD1OD2CONCACBCGCDOE1OE2CONCACBCGCD1CE1CZCE2CD2CONCACBCGCD1CE1CZCE2	PHE APHE AASN AASN AASN AASN AASN AASN AASN AASN APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE A	224224225225225225225225225225226226226226226226226226226226226227227227227227227227227228228228228228228228228228229229229229229229229229229229229230230230230230230230230	19.05319.33019.96021.31022.36223.73324.22324.35221.64721.80721.74821.77021.77221.69520.49120.42721.57122.79322.84922.95022.81224.10325.34226.51326.84327.47626.49525.22725.68624.61624.37523.92725.06224.56925.33723.42023.34523.51122.29221.29120.23719.16718.22917.23317.18718.13019.08521.92321.66422.73323.42824.26424.92326.22226.80226.09524.794	29.04330.21428.17528.63028.21428.76929.66828.25828.07026.86928.93528.43629.54128.97928.48827.86427.75228.23228.80827.51426.46927.93027.17927.94529.26730.13829.44925.78724.82825.65724.34224.46324.85825.39026.14525.06923.55222.35724.23423.66724.74524.24923.33322.88423.38924.32424.74723.14422.01023.99223.61824.78224.47624.01923.69223.80424.245	33.15033.40432.71032.31333.34233.02433.70831.97230.93230.78529.92228.55427.50026.10925.62824.35223.58624.07425.34328.29927.65728.79028.63329.26328.52429.14927.33029.22028.62230.39530.96332.42633.36634.72335.35835.13230.17329.97229.71828.84228.47427.51827.93127.06125.76325.35826.22627.55827.13426.94425.70825.17223.83723.78722.59121.42721.446	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	39.6940.9836.2438.1539.1143.4150.8939.0932.6630.4932.2630.3730.7527.8326.5427.5325.5925.5630.0627.6526.6432.0533.0936.3341.0650.3449.2931.0929.5531.1731.3936.8442.5847.1651.9450.0129.9629.0124.2826.3323.8324.7332.4730.9732.6224.0426.3524.7624.7324.9122.3521.1521.8722.0223.8521.5027.74	CONCCCONCONCCCCCCCCCONCCCOOCONCCCCOOCONCCCCCCCCCONCCCCCCC

原子	3686	CD2	PHE A	230	24.215	24.590	22.649	1.00	23.18	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	368836893691369236943696369837023703370537063708371137143717372037243725372737283730373337353736373837393741374337453749375037523753375537573759376337643766376737693772377337753777377937813783378437863787378937923795379638003801	CONCACBOG1CG2CONCACBCGCDCENZCONCACBSGONCACBOG1CG2CONCACBOG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBCGSDCECO	PHE APHE ATHR ATHR ATHR ATHR ATHR ATHR ATHR ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ACYS ACYS ACYS ACYS ACYS ACYS ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AMET AMET AMET AMET AMET AMET AMET AMET A	230230231231231231231231231232232232232232232232232232233233233233233233234234234234234234234235235235235235235235236236236236236236236236236236236237237237237237237237237	24.28024.18325.06925.90026.69027.60027.45625.11125.56423.95723.11521.88722.18620.99621.44620.71022.64022.56622.29821.87421.39219.78522.95122.65124.21225.29726.65026.98826.62425.39826.03024.76324.66923.70124.32023.27924.12024.51923.20822.52221.07320.44620.20119.65219.37819.66020.19623.14022.59824.26424.95125.35724.22924.81923.27626.18727.236	22.38321.41222.37221.21021.38822.47920.08719.90618.88219.91318.71618.91818.85219.41519.99921.25318.34317.16319.36319.14120.45620.90818.46817.61818.77518.14718.79118.62020.28516.62615.96516.06814.60314.24714.58412.70713.92912.81914.62614.11814.56214.17115.11614.73713.38412.43012.82714.53514.20415.25315.69317.14818.14619.78320.65714.82615.019	25.91925.16326.98427.25328.53428.35928.87027.30826.77427.96728.01228.91630.41431.23532.58032.90326.62426.28725.82824.45023.82524.46523.60422.76523.87023.10523.40024.77323.04723.24822.40324.28424.47225.59326.82025.56623.27422.95722.60921.44821.54022.83923.82725.03725.27824.31323.10620.12119.08120.16018.93919.04519.15519.65120.02418.67919.273	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	23.2826.4726.0922.6330.1528.2628.8128.4628.9928.2232.5936.5842.7747.4351.4155.6229.3227.1027.4529.4129.0126.7824.6824.7526.0626.5325.1232.3626.7029.8625.5028.7529.5730.6430.5531.8830.7835.5928.7329.1531.8736.2433.7835.6138.5739.5036.0230.1432.3529.2924.5922.4522.6430.2727.3021.9022.75	CONCCOCCONCCCCCNCONCCSCONCCOCCONCCOCCONCCCCCCCCCONCCCSCCO

原子	3803	N	HIS A	238	26.021	13.885	17.760	1.00	23.43	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	380438063809381038123814381638183819382138223824382738283830383238333835383738393840384238433845384838493851385338543856385838603861386338643 8663869387238753 876387738783 88038833885388638883 889389238933895389638983901390439053906	CACBCGND1CE1NE2CD2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCDCONCACBOGCONCACONCACBCGCDOE1OE2	HIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APRO APRO APRO APRO APRO APRO APRO ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY AGLU AGLU AGLU AGLU AGLU AGLU AGLU A	238238238238238238238238238239239239239239239239239239239239239240240240240240240240240240240240240241241241241241241241242242242242242242243243243243244244244244244244244	26.99226.46627.16628.41428.77327.79326.79828.37229.36628.43929.71229.67229.22627.97627.56528.39928.02829.61630.02330.11430.99429.53029.95729.04629.19928.75428.91129.54029.68129.97629.80431.42931.77532.31333.72334.29233.47032.09833.93933.41834.70634.78633.70132.40336.13436.89336.40537.61438.83538.90339.79340.97742.17542.03243.21043.40143.930	12.85212.03910.73210.4269.2208.7219.66413.41712.85214.52815.01615.00413.67913.52912.31311.2169.96611.34112.56816.38117.03416.80018.03518.43319.88220.88522.20622.56623.89021.59720.25717.96017.09018.86018.81320.03520.13719.94818.90419.79217.97817.86016.88417.35817.35416.79317.51416.96617.61418.82716.81517.40516.42715.10714.11913.18314.254	17.41816.21515.97516.48716.07515.34415.23117.11117.55916.37015.80814.25013.68113.06912.58212.69712.22313.30813.80116.34515.78717.47618.10419.28019.66418.80619.10120.28520.57521.17920.86018.55919.34118.05418.43217.74316.52617.08919.93820.56220.50121.94922.39522.09922.41421.64923.70124.27023.67423.56823.24222.65622.57621.84922.13121.31023.162	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	25.6926.6722.0828.8421.8429.7824.0627.8328.5023.3824.2823.8923.6127.3330.2031.7734.9232.6526.0119.9824.9924.3818.4219.7620.0722.0020.0528.0621.3022.9024.7723.9026.5522.2024.2924.9624.3425.6823.2520.9225.3325.0026.6627.2028.1224.9827.9930.5028.3729.3128.8234.6840.8948.0054.1058.6752.42	CCCNCNCCONCCCCCCOCCCONCCCCCCOCCCONCCCCCONCCOCONCCONCCCCOO

原子	3907	C	GLU A	244	40.662	18.142	21.338	1.00	30.22	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	390839103911391339163917391939213923392539263928392939313934393739403943394739483950395139533956395739583961396239643965396739703972397639803981398339843986398939913995399940004002400340054008401140144016401740204023402440264027	ONCACBCGND1CE1NE2CD2CONCACBCGCDCENZCONCACBCGOD1ND2CONCACBCGCD1CD2CONCACBCGCD1CD2CONCACBCGCDNECZNH1NH2CONCA	GLU AH1S AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AASN AASN AASN AASN AASN AASN AASN AASN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ALEU ALEU A	244245245245245245245245245245245246246246246246246246246246247247247247247247247247248248248248248248248248249249249249249249249249250250250250250250250250250250250251251	41.47439.46539.03638.58739.71839.72640.85941.58240.89537.96937.40737.74336.78036.62637.82737.74636.60836.69637.19536.39538.44938.87940.41441.17840.80442.26038.48838.74337.88637.64338.02939.51339.69840.44936.20335.28935.99134.62234.63734.77534.98733.56733.85432.63134.58334.03933.94533.01132.79631.98931.89632.58031.11534.95036.18334.32835.036	18.91517.93518.64317.63716.79515.42214.95915.98417.14319.72720.21420.13521.19121.31721.98922.01422.90124.35422.56823.48622.71923.96224.11622.86521.72523.08424.06925.10423.01822.95521.58821.20819.76422.14723.25722.99723.78824.16225.31626.72627.67527.15522.97522.92422.01920.79420.85421.91321.80920.66620.17320.70419.14819.61319.70418.49817.219	20.87620.7811 9.56518.51818.00218.09517.59417.17117.42719.76518.79921.00721.31622.82723.51725.05525.57825.16620.73120.67320.31919.65619.77619.29019.60818.53418.16717.53517.60316.14615.56915.66015.15614.90815.80216.59714.60114.19513.17613.73612.57414.61013.66113.79013.07812.52510.99110.4548.9308.5667.3456.3377.12112.84812.70413.21613.322	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	30.6224.0524.7723.8126.8232.8437.9133.5731.2125.9425.1728.7128.5531.3335.6040.8548.8053.8133.8030.3331.8036.7140.3344.6345.2249.9137.6737.9332.8632.9029.0334.3732.4133.6428.1526.8223.4121.3423.8622.5721.8623.4419.4220.1217.4617.2617.7920.8219.8215.7616.9718.4416.6019.8119.7621.7222.19	ONCCCNCNCCONCCCCCNCONCCCONCONCCCCCCONCCCCCCONCCCCNCNNCONC

原子	4029	CB	LEU A	251	34.095	16.102	13.721	1.00	21.25	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	403240344038404240434045404640484052405340554056405740584059406040614062406340644074407540774079408140854086408840894091409440964100410441054107410841104113411641194122412641274129413041324135413841414142414341444146414941504151	CGCD1CD2CONCACBCONCACBSGSDCECZOHCONCACBOG1CG2CONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCGCDCONCACBCGOD1OD2	LEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA ACME ACME ACME ACME ACME ACME ACME ACME ACME ACME ATHR ATHR ATHR ATHR ATHR ATHR ATHR ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APRO APRO APRO APRO APRO APRO APRO AASP AASP AASP AASP AASP AASP A	251251251251251252252252252252253253253253253253253253253253254254254254254254254255255255255255255255255256256256256256256256256256257257257257257257257258258258258258258	34.72035.58033.61035.66736.68435.02135.54134.54036.92937.67237.33038.68538.87237.85738.21236.59036.68837.39139.72940.91239.27840.14339.73438.49939.63240.11640.72539.41039.41038.58737.07236.50236.54440.81041.59741.11542.40943.07543.33744.21944.17944.55942.24341.16143.31643.30144.79745.33044.62742.68142.93641.84641.09339.92338.94738.88238.173	14.78415.06213.75116.83016.15417.20616.91917.45317.45516.95118.45418.95420.20221.61821.71821.03720.49621.43017.89618.03016.86915.81415.36614.64316.51714.55913.55614.57713.41913.69513.65514.06412.27113.02713.87911.73011.25610.32110.96812.26413.11314.55710.58510.11410.6029.9349.87111.14311.2328.5467.7748.2657.0317.0415.8675.2735.603	14.19915.41714.52711.99711.98910.8879.5328.4279.3068.44610.09410.00710.86510.3898.3857.8606.4625.66510.43910.14211.15711.65613.11713.08614.05410.78411.1429.6528.7527.5027.6036.2408.0328.3097.9258.3317.8448.86610.25710.15811.45111.2516.4706.1295.6524.3503.9734.5775.9174.4195.3713.4323.3304.3484.1803.1025.120	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	28.4925.5428.2720.0319.6619.0919.3623.3722.4821.6421.4921.7126.1429.1639.1640.4237.2839.5723.8927.8223.7726.0523.6124.7328.0922.4019.7618.9619.1824.2826.6227.6321.0719.3122.0621.0621.1328.1630.5434.8940.8140.2818.5022.6220.1821.4822.0722.3821.0922.3818.6520.8124.4624.4328.9925.5533.16	CCCCONCCCONCCSSCCOCONCCOCCONCCCCCCONCCCCCNCONCCCCCONCCCOO

原子	4152	C	ASP A	258	40.598	6.999	1.902	1.00	22.54	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	415341554156415841614164416741684169417041724175417841794180418141824184418541874190419241964200420142034204420642094212421342144215421642184219422142244227422842324233423542364238424142434244424642474249425242544258426242634265	ONCACBCGCDCONCACBCGCDOE1OE2CONCACBCGCD1CD2CONCACBCGCDOE1OE2CONCACBCGSDCECONCACBOGCONCACBCGCD1CD2CON	ASP APRO APRO APRO APRO APRO APRO APRO AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AMET AMET AMET AMET AMET AMET AMET AMET ASER ASER ASER ASER ASER ASER ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLN A	258259259259259259259259260260260260260260260260260261261261261261261261261262262262262262262262262262263263263263263263263263264264264264264264265265265265265265265265266	39.61741.30040.96441.94043.09742.52639.50838.96038.88837.49737.15935.68435.39434.23236.32436.52135.56736.78835.92636.25935.42933.89535.86736.11635.17037.35337.61139.0983 9.41040.88541.41841.48736.99636.53337.03136.40836.64937.75537.92936.33134.90734.32834.29832.91832.48531.16232.58931.67333.36233.17334.02933.70434.52432.23133.44232.73834.429	7.6566.2646.2495.1895.2035.4835.9476.6054.9764.5753.3162.9551.7071.5500.8985.7296.0016.4307.5287.9699.1398.9239.4188.6969.2919.01410.14010.44211.62412.09412.50312.0769.95210.9328.7218.3856.9136.6544.8784.2638.6649.2048.3048.5917.8068.08210.08210.54010.83912.27712.78512.16212.79912.29513.13114.10912.762	1.5881.019-0.399-0.995-0.0711.297-0.732-1.593-0.043-0.3030.5180.5681.4381.8691.7000.027-0.7171.1221.5352.9543.5003.4104.9490.5790.1260.254-0.621-0.741-1.634-1.564-2.615-0.474-1.989-2.591-2.493-3.784-4.162-5.163-5.563-5.111-3.765-4.722-2.652-2.388-1.136-0.828-2.266-2.926-1.480-1.309-0.1331.2292.3411.499-2.554-2.798-3.348	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	24.3818.9720.7324.2124.4021.6422.1921.3019.6821.6523.5835.7345.0553.5852.1022.5919.3621.4220.7721.4422.4517.9322.3218.9520.6619.0019.0418.9417.6020.5420.7017.4218.7117.9619.2917.8219.0628.4435.2130.4023.3620.6221.0920.5923.9836.7922.8818.8520.5520.2017.5219.0524.3520.7216.7518.2814.76	ONCCCCCONCCCCOOCONCCCCCCONCCCCOOCONCCCSCCONCCOCONCCCCCCON

原子	4266	CA	GLN A	266	34.776	13.577	-4.502	1.00	19.29	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	426842714274427542764279428042824283428542884291429442974301430243044305430743104311431343154316431843204322432343254326432843304334433843394341434243434346434743524353435843594360436143684369437143724374437743804381438243834384	CBCGCDOE1NE2CONCACBCGCDCENZCONCACBCGCD1CE1CZOHCE2CD2CONCACBCG1CG2CONCACACBCBCGCGSDSDCECECONCACBCGCDOE1OE2CO	GLN AGLN AGLN AGLN AGLN AGLN AGLN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AVAL AVAL AVAL AVAL AVAL AVAL AVAL AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU A	266266266266266266266267267267267267267267267267268268268268268268268268268268268268269269269269269269269270270270270270270270270270270270270270271271271271271271271271271	36.06535.91437.01036.80438.19633.68133.62332.78831.73831.01331.88531.01131.83432.99330.72229.96930.69429.74029.39628.62729.27728.56927.17326.43126.51227.24030.28229.56131.55332.28733.51534.31933.01532.74433.19032.64432.97532.97132.59732.58731.09332.08230.63031.73832.07530.05034.46735.31034.80536.20236.34136.96837.17738.30936.21437.13338.298	13.10811.94211.96312.33111.65313.68214.65512.69512.65011.30110.0748.8037.5367.42413.75614.05714.36415.45315.50614.33613.17512.08912.14711.07713.28514.37516.81817.79416.86718.09118.14819.37718.12018.20417.21919.42119.72619.73521.18121.20021.44421.44523.18923.17723.96523.28619.51019.77119.02718.71517.99918.78317.91017.89617.22319.93919.809	-5.139-6.091-7.109-8.272-6.665-5.552-6.282-5.596-6.581-6.557-6.824-6.891-7.196-6.325-6.387-7.309-5.208-4.939-3.445-2.934-2.516-2.010-1.945-1.446-2.340-2.867-5.350-5.334-5.721-5.997-5.038-5.277-3.561-7.480-8.111-7.996-9.387-9.384-9.700-9.671-9.753-11.075-9.600-11.423-10.363-10.792-9.650-8.800-10.833-11.135-12.494-13.649-14.901-15.446-15.329-11.043-10.688	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.000.500.500.500.500.500.500.500.500.500.501.001.001.001.001.001.001.001.001.001.001.00	19.9622.7426.9529.7718.4916.9419.1717.9915.5618.5521.9123.2829.3938.3818.7015.6119.2219.4417.8017.9919.5218.6917.8322.9018.3318.3021.9124.1023.5523.8725.6330.2023.8324.2525.5622.5324.5023.6530.0027.6333.0345.0133.2437.6239.4823.3521.3023.4526.0831.9642.6552.8358.4550.5022.8722.47	CCCONCONCCCCCNCONCCCCCCOCCCONCCCCCONCCCCCCSSCCCONCCCCOOCO

原子	4386	N	SER A	272	36.631	21.116	-11.396	1.00	22.30	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	438743894392439443954397439844004402440544094413441444164417441944224424442844324433443544364438444144444447445044544455445744584460446344664467446844714472447444754477447944824486449044914493449444964499450045014502450345054506	CACBOGCONCACBCG1CD1CG2CONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCGCDOE1NE2CONCACBCG1CD1CG2CONCACBCGOD1OD2CONCA	SER ASER ASER ASER ASER AILE AILE AILE AILE AILE AILE AILE AILE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AILE AILE AILE AILE AILE AILE AILE AILE AASP AASP AASP AASP AASP AASP AASP AASP AASN AASN A	272272272272272273273273273273273273273274274274274274274274274275275275275275275275275275276276276276276276276276276277277277277277277277277278278278278278278278278279279	37.46536.73235.48537.82638.90936.93237.22535.95434.88835.24236.34638.24239.19738.03839.02938.59037.29536.92037.35340.41041.42940.43141.67841.51342.81942.65944.00143.97542.35543.56641.58842.14641.08641.47640.31040.01439.62342.60643.71541.76942.11940.99539.87638.60541.49843.45644.23143.73244.96644.69043.77543.79643.06346.17447.23345.99547.058	22.34223.48523.60522.70223.23722.38522.53622.37823.42924.79822.46421.51921.84520.26519.21517.87017.23915.93716.94019.62019.44520.26420.70521.25021.24721.71021.70522.48521.73521.70122.67623.67324.75325.74426.60326.70827.19422.98223.23822.06921.27720.31421.12720.38719.20020.53720.46620.01619.26518.31217.15616.75016.61820.15819.66621.46922.464	-11.339-12.003-11.379-9.907-9.651-8.968-7.544-6.668-7.014-6.597-5.186-7.074-6.342-7.454-7.139-7.726-7.177-7.932-5.663-7.654-6.971-8.815-9.379-10.801-11.576-13.046-13.764-15.022-8.499-8.381-7.938-7.045-6.768-5.724-5.295-4.095-6.266-5.765-5.259-5.255-4.060-3.703-3.042-2.808-2.813-4.179-3.221-5.356-5.640-6.822-6.436-5.261-7.315-5.974-6.426-5.811-6.095	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	24.3225.8433.2722.9221.2220.9119.5820.5122.4131.2920.5916.7321.8620.5618.4920.0217.9215.8520.8120.2918.2718.9319.8122.0830.6729.4834.9738.6218.4217.5920.2721.4726.1229.7633.7638.1823.5121.2715.5521.2818.9315.8816.6419.1517.3815.9720.1816.5221.0519.7820.8619.4120.1322.1522.9118.5321.46	CCOCONCCCCCCONCCCCCCONCCCCCNCONCCCCONCONCCCCCCONCCCOOCONC

原子	4508	CB	ASN A	279	48.202	22.324	-5.090	1.00	19.43	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	451145124513451645174519452045224525452845314534453845394541454245444547455045514552455545564558455945614564456645704574457545774578458045834586458745884591459245944595459845994601460246044607460846104612461346154617461946204622	CGOD1ND2DONCACBCGCDCENZCONCACBCGCDOE1NE2CONCACBCGCD1CD2CONCACBCGCDOE1NE2CONCACONCACBCGCD1CE1CZOHCE2CD2CON	ASN AASN AASN AASN AASN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLY AGLY AGLY AGLY ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ALEU A	279279279279279280280280280280280280280280281281281281281281281281281282282282282282282282282283283283283283283283283283284284284284285285285285285285285285285285285285286	47.74448.08147.00247.56448.74546.65046.95246.53647.42347.05548.19048.35146.29346.34445.68145.07643.63342.73441.33340.38141.24445.14645.03745.34645.46745.84447.29147.48948.21144.17643.07344.32043.20043.69144.70444.13243.13044.80042.18541.11142.52341.68941.05440.22441.42540.89441.49641.08641.77041.39340.34539.94539.68040.04839.36138.78238.714	22.50721.71023.57322.41422.62022.15722.14520.81119.59818.24917.17016.71623.32223.45124.20125.37425.03126.11825.50925.54824.87726.42126.09927.67428.76630.03830.07531.22130.24728.97128.86129.30329.27429.37228.26226.81326.52425.89930.36430.37631.27132.41532.36333.21231.34831.09429.75929.32129.76629.34728.45728.00927.99628.42530.99931.32930.497	-3.648-2.765-3.396-7.526-7.785-8.453-9.880-10.524-10.057-10.700-10.448-9.008-10.573-11.766-9.796-10.327-10.715-11.221-11.539-10.717-12.688-9.252-8.080-9.651-8.687-9.412-9.924-10.944-8.731-7.919-8.488-6.641-5.686-4.221-3.768-3.741-3.061-4.462-5.975-5.380-6.890-7.199-8.553-8.867-9.340-10.694-11.196-12.579-13.708-14.982-15.111-16.338-14.002-12.756-10.804-11.847-9.754	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	28.4733.0818.9918.9723.4619.0422.5822.1924.9730.1032.8331.0021.9920.8822.2820.9027.8732.9540.1633.4333.6522.9219.2721.9225.4326.1332.5430.2828.9127.9426.1731.6737.6742.0147.5652.9458.7050.2437.2038.1434.1133.7533.6531.6531.9830.6830.3235.5842.4446.3046.4849.8942.7341.1230.7623.0522.54	CONCONCCCCCNCONCCCCONCONCCCCCCONCCCCONCONCCONCCCCCCOCCCON

原子	4623	CA	LEU A	286	37.278	30.276	-9.796	1.00	26.21	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	462546284630463446384639464146424644464746494650465246534655465846614662466346644665466746684670467346754679468346844686468746894692469546984700470147044707470847104711471347164719472247234724472547274729473347374738474047414743	CBCGCD1CD2DONCACBOGDONCACBCGCDOE1OE2CONCACBCGCD1CD2CONCACBCGCDNECZNH1NH2CONCACBCGCDCONCACBCG1CG2CONCACB	LEU ALEU ALEU ALEU ALEU ALEU ASER ASER ASER ASER ASER ASER AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG APRO APRO APRO APRO APRO APRO APRO AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATHR ATHR ATHR A	286286286286286286287287287287287287288288288288288288288288288289289289289289289289289290290290290290290290290290290290291291291291291291291292292292292292292292293293293	36.90437.34336.86836.81636.41235.18837.01036.25136.90737.03036.18637.20435.01634.93235.52335.13935.68735.71736.08033.52232.54533.46632.25232.15631.78731.97130.33932.39233.34831.47231.67132.15032.62032.90533.34734.52235.43534.78530.33029.30430.33129.10929.43530.91731.47528.85529.73327.67627.22327.27528.69326.31725.79525.10625.34423.92023.703	28.99527.66526.48427.52231.45331.38132.51433.72034.52133.73334.59235.12634.73435.57234.83733.42032.75531.49533.49036.06135.46337.18737.72139.23239.63141.12539.24937.34437.72436.49935.71034.33533.44732.09131.18831.25132.16130.37435.57335.28335.75935.53336.07636.12836.14734.06533.30333.67432.27831.58831.63032.22032.19333.21830.96430.68730.062	-9.025-9.668-8.811-11.071-9.333-9.461-8.790-8.459-7.356-6.202-9.701-10.137-10.291-11.483-12.678-12.775-14.045-14.074-14.997-11.790-11.376-12.478-13.066-12.868-11.445-11.234-11.129-14.522-15.201-14.960-16.144-15.710-16.803-16.249-17.308-17.928-17.604-18.879-16.857-16.206-18.190-18.965-20.366-20.456-19.046-19.029-19.425-18.583-18.664-17.272-16.703-16.305-19.194-19.333-19.451-19.706-21.120	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	24.9421.3220.6824.6623.2025.8326.0524.9126.2731.4824.9522.0422.2022.7031.7640.0449.8751.2053.7123.4723.4421.4426.6729.5428.3234.5133.8030.2130.3032.0835.2139.0942.3948.8552.7348.8551.8554.4932.8827.4332.7630.2329.6235.9136.4324.5925.3026.6427.3128.4423.3829.3424.9822.3521.7626.1824.29	CCCCCONCCOCONCCCCOOCONCCCCCCONCCCCNCNNCONCCCCCONCCCCCONCC

原子	4745	OG1	THR A	293	24.216	30.941	-22.107	1.00	28.11	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	474747514752475447554757475947624766477047714773477447764778478247864787478947904792479547964798480048024804480648074809481048124814481848224823482548264828483148324833483648374839484048424845484748514855485648584859486148644867	CG2CONCACBCG1CD1CG2DONCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBCG1CG2CONCACBCGOD1ND2CONCACBCGCD1CD2CONCACBCGSD	THR ATHR ATHR AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASN AASN AASN AASN AASN AASN AASN AASN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AMET AMET AMET AMET AMET A	293293293294294294294294294294294295295295295295295295296296296296296296296296296296296297297297297297297297298298298298298298298298299299299299299299299299300300300300300	22.22423.40523.96622.37021.71721.09322.14023.37820.43420.58319.76220.55419.41319.78518.54220.40918.84519.48017.68717.05916.61216.98116.78917.13017.64517.82017.51815.88314.87316.04615.06415.80214.83016.65714.24314.81512.91812.00011.09110.35010.9479.03711.13710.49811.14110.35811.23312.49313.33312.1309.3399.7138.0686.9865.9266.3566.380	29.85329.77428.70030.22029.42230.31431.27330.56529.45028.62529.18927.31926.49625.38824.54025.97925.93325.09326.45526.10527.35727.34426.21026.19427.34328.48528.48125.17525.58023.90522.86321.57920.36721.85522.54122.23822.59522.20023.35523.11122.81623.25420.99620.96619.99218.79517.57317.54716.32817.56618.76518.75118.80918.80719.83921.25621.573	-21.437-18.606-18.361-17.907-16.869-15.754-15.165-14.611-14.660-17.517-18.297-17.248-17.610-18.581-18.946-19.837-16.315-15.645-15.929-14.680-13.924-12.444-11.661-10.326-9.767-10.537-11.848-14.972-15.544-14.625-14.935-15.354-15.533-16.606-13.698-12.651-13.808-12.712-12.325-11.028-9.984-11.082-13.080-14.145-12.206-12.374-12.308-13.200-12.837-14.710-11.235-10.044-11.596-10.597-10.957-10.654-8.860	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	24.1721.5525.6822.3919.0321.4521.6916.1619.6423.9223.5420.3620.4221.4323.1224.6723.3725.0515.1919.9020.6017.8219.4119.4620.4920.5622.7122.3624.1821.9319.6926.7223.0622.4626.1327.5319.5220.6523.2929.7325.1125.5824.0924.0123.7224.8521.9127.9022.0225.4427.0324.6629.0831.9733.5045.7957.61	CCONCCCCCCONCCCCCONCCCCCCCCCONCCCCCONCCCONCONCCCCCCONCCCS

原子	4868	CE	MET A	300	7.306	23.104	-8.754	1.00	47.65	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	487248734875487648784881488248844886488848904892489348954896489849014904490549064907490849104911491349164917491849194920492249234925492849314932493349364937493949404942494549464947494849494951495249544957496049634966497049714973	CONCACBCGCD1CE1CZCE2CD2CONCACBCGCDOE1OE2CONCACBCGOD1OD2CONCACBCGCDOE1NE2CONCACBCGOD1OD2CONCACBCGCDCENZCON	MET AMET APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AASP AASP AASP AASP AASP AASP AASP AASP AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AASP AASP AASP AASP AASP AASP AASP AASP ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AALA A	300300301301301301301301301301301301301302302302302302302302302302303303303303303303303303304304304304304304304304304305305305305305305305305306306306306306306306306306307	6.3516.0806.1035.4686.3667.7338.7219.97810.2349.2498.0054.1173.8733.2501.9211.008-0.462-1.112-1.158-1.5872.0701.5022.8743.0993.0101.6210.7931.3624.4125.5154.2495.3444.7623.7793.4773.1543.5866.3007.5085.7586.5285.6805.1735.7744.1677.0378.1136.2596.5795.4494.1713.2991.8760.9537.8887.8849.000	17.43816.81017.00415.71714.87714.65015.59015.40114.29013.34813.53815.94817.00614.94815.05013.91214.31413.56512.31114.23315.03315.88314.09313.93412.45312.06412.97210.84814.55414.09015.58916.44317.75617.61018.93518.96220.04115.79116.04614.96014.37914.35815.74316.76115.81012.96212.58412.18510.77910.1119.9008.8618.8138.19910.62410.43910.688	-10.490-11.493-9.261-8.965-8.040-8.590-8.419-8.965-9.708-9.894-9.348-8.286-7.705-8.358-7.757-8.260-8.499-9.682-9.656-10.633-6.234-5.543-5.729-4.282-3.873-3.390-3.141-3.252-3.773-4.075-2.956-2.510-1.940-0.763-0.0701.122-0.811-1.497-1.532-0.6050.5101.7942.1971.7792.9410.2210.696-0.540-0.821-1.609-0.817-1.506-0.962-1.968-1.590-2.815-0.854	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	29.8926.5929.0734.2733.1629.7232.2228.7129.2534.3727.6539.7837.0549.0758.3259.9667.2670.4374.4271.9463.5861.6271.8978.9779.3079.7878.6480.5483.4184.7888.6191.2893.2293.9295.6995.7693.6592.0490.5192.8992.4792.1592.7191.2292.4391.1592.6388.1583.3183.8685.4386.5386.3984.4780.3777.6175.19	CONCCCCCCCCCONCCCCOOCONCCCOOCONCCCCONCONCCCOOCONCCCCCNCON

原子	4974	CA	ALA A	307	10.336	10.508	-1.423	1.00	72.25	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	497649804981498349844986498949924993499449954996499849995001500450075008500950105011501350145016501850215025502950305032503350365037503950405042504550485051505250535054505650605061506350645066506850715075507950805082508350855088	CBCONCACBCGCDOE1OE2CONCACBCGCDOE1OE2CONCACBCG1CD1CG2CONCACONCACBCGCDCONCACBCONCACBCG1CD1CG2CONCACBCG	ALA AALA AALA AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY APRO APRO APRO APRO APRO APRO APRO AALA AALA AALA AALA AALA AILE AILE AILE AILE AILE AILE AILE AILE AGLN AGLN AGLN AGLN A	307307307308308308308308308308308308309309309309309309309309309310310310310310310310310311311311311312312312312312312312313313313313313314314314314314314314314315315315315	11.40010.48211.2419.7329.7878.7618.7057.8556.9008.1479.50710.2238.4668.0146.5065.6974.2043.7483.4858.7268.8249.2279.8679.69210.60010.2928.23211.34711.87512.01613.44813.81414.77613.05713.36012.39312.07011.99413.16313.88112.21111.91910.65013.06813.50013.50414.60714.77613.54613.54316.03915.87416.58716.15217.30617.41018.428	10.6809.1438.9878.1696.7875.9166.1257.3257.6977.9046.6996.0307.3967.3377.5886.6216.7826.7726.9098.3138.0459.43410.43011.87112.14213.45212.12710.14110.5289.4729.2208.4888.8477.4306.7705.5835.3566.7367.6737.5598.5829.54710.27510.55810.84011.12812.09312.69013.53214.12613.54711.41411.97210.1989.4438.0957.113	-0.340-2.096-3.058-1.585-2.040-1.2820.2480.682-0.0421.752-3.525-4.260-3.958-5.349-5.403-4.534-4.722-5.890-3.703-6.299-7.496-5.786-6.657-6.130-4.946-4.259-5.758-6.934-7.980-6.005-6.131-7.402-8.066-7.755-9.027-9.049-7.577-7.017-10.225-11.222-10.108-11.146-10.794-11.321-12.431-10.209-10.185-8.749-8.375-6.977-8.623-10.703-11.538-10.232-10.716-9.970-10.515	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	71.9669.6567.9266.1963.2166.9969.0072.5978.6074.0957.9152.9255.2657.6463.3767.9774.6077.9778.7052.5355.6344.1642.1741.9942.8244.3344.5736.7633.5433.4032.4034.5927.0935.6434.2237.8836.9436.3529.8531.0728.0728.1326.2426.0626.6527.2625.7825.6123.8025.4522.5723.9923.1523.8523.2328.2027.11	CCONCCCCOOCONCCCCOOCONCCCCCCONCCONCCCCCONCCCONCCCCCCONCCC

原子	5091	CD	GLN A	315	19.872	7.560	-10.345	1.00	25.78	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	509250935096509750995100510251055106510751085109511151125114511851195121512251245127512851305132513351355137513951405142514351455148515151525156515751595160516251655166516851705172517451755177517851805182518551895193519451965197	OE1NE2CONCACBCGOD1OD2CONCACBCONCACBCGCD1CE1CZOHCE2CD2CONCACBCGSDCECONCACBCGND1CE1NE2CD2CONCACBCG1CD1CG2CONCA	GLN AGLN AGLN AGLN AASP AASP AASP AASP AASP AASP AASP AASP AALA AALA AALA AALA AALA ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AMET AMET AMET AMET AMET AMET AMET AMET AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AILE AILE AILE AILE AILE AILE AILE AILE ATHR ATHR A	315315315315316316316316316316316316317317317317317318318318318318318318318318318318318319319319319319319319319320320320320320320320320320320321321321321321321321321322322	20.74520.12817.23218.20216.07115.93314.55414.38213.21715.39116.21216.98715.59615.83414.98517.29517.85717.90419.30719.84721.36222.02923.40724.14125.51323.50222.11120.15721.00919.91620.75520.38220.66222.39223.02320.71721.74519.55319.44518.00917.90518.21218.03717.63017.54820.03720.79319.69720.24419.73918.25217.55020.51221.76922.36922.40323.860	7.1798.3169.2579.5318.8558.6748.1376.6776.2215.9849.9539.92711.05512.39513.44712.80913.31312.61612.95412.61112.66113.87013.92712.76412.84311.54811.50512.26112.89610.96310.1848.7097.9807.9326.85410.73610.78611.19411.87711.97012.45111.64912.33613.55313.65413.26613.64014.03415.38916.07416.40316.79317.41415.36816.13114.48514.460	-11.113-9.326-12.238-12.944-12.758-14.205-14.590-14.239-14.227-13.957-14.971-15.934-14.524-15.091-14.354-15.021-16.008-13.845-13.680-12.280-12.294-12.220-12.265-12.440-12.507-12.557-12.485-14.737-15.371-14.941-15.857-15.846-14.539-14.089-15.379-17.281-17.940-17.729-19.017-19.508-20.921-22.001-23.120-22.804-21.435-19.001-19.888-17.980-17.845-16.561-16.718-15.453-16.292-17.901-18.642-17.141-17.137	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	33.6520.8825.2224.4825.7132.7935.6543.8752.4348.2128.6727.3525.1424.6622.3128.3622.5326.8826.2222.8523.5625.1127.7224.8036.6331.4931.0525.0724.4224.4125.7927.1331.8329.6932.2422.3027.1823.7325.6227.1130.2734.2232.1330.8632.6425.3224.8425.1225.5925.9822.4722.9225.9822.1224.9821.1124.73	ONCONCCCOOCONCCCONCCCCCCOCCCONCCCSCCONCCCNCNCCONCCCCCCONC

原子	5199	CB	THR A	322	24.437	13.600	-15.989	1.00	22.39	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	520152035207520852105211521352165218521952215222522452265230523452355237523852405243524552495253525452565257525952625265526852715275527652785279528152835286529052945295529752985300530353045306530853105312531453155317531853205323	OG1CG2CONCACBOGCONCACBCG1CG2CONCACBCGCD1CD2CONCACBCGCDCENZONCACBCG1CD1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBCG	THR ATHR ATHR ATHR ASER ASER ASER ASER ASER ASER AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AILE AILE AILE AILE AILE AILE AILE AILE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLN AGLN AGLN AGLN A	322322322322323323323323323323324324324324324324324325325325325325325325325326326326326326326326326326327327327327327327327327328328328328328328328328328328328329329329329	25.83324.25124.46825.50523.80124.28723.57122.23724.21625.14323.12722.94221.50421.33020.48523.96424.61724.11825.07824.97723.66523.81423.26526.53027.29926.91828.27828.35929.70329.68230.78630.46528.58829.67727.61027.78126.50826.44125.04626.51228.20128.98527.75528.17726.99526.53325.34024.92225.71926.93227.33828.88728.89229.55430.28131.54732.654	13.86212.11314.07614.63213.19812.83311.59511.89014.00314.18414.78315.93916.51617.69515.45617.04117.62117.32218.34118.58019.18019.34820.51418.01518.91816.73816.28114.73714.07712.54311.76910.30216.67217.11616.47416.75916.32314.79614.24216.86018.23118.50419.16320.57321.40921.03720.35219.98520.27620.93921.30921.21022.41920.40320.90921.69420.860	-15.877-16.233-18.513-18.903-19.262-20.587-21.168-21.560-21.573-22.362-21.517-22.385-22.266-23.201-22.613-22.047-22.931-20.754-20.328-18.817-18.285-16.794-18.924-20.715-21.057-20.608-20.970-20.839-21.253-20.982-21.683-21.737-22.406-22.738-23.263-24.677-25.465-25.485-25.686-26.907-24.909-25.817-24.055-24.195-24.656-26.034-26.223-27.495-28.602-28.429-27.144-23.009-22.864-22.203-21.043-21.455-22.143	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	31.1425.4025.2525.3926.1428.1030.3439.8428.2227.3627.0627.7432.1930.8531.4228.3825.6225.0324.7221.5522.8724.4228.4225.4024.9928.4232.4932.5842.3341.7242.8141.9632.1431.3436.5043.9444.1538.8143.7450.0949.6646.9155.1857.4357.9464.6565.9565.7567.8268.0766.6155.2759.2654.7755.2959.7662.86	OCCONCCOCONCCCCCONCCCCCCONCCCCCNCONCCCCCCONCCCCCCCCCONCCC

原子	5326	CD	GLN A	329	32.554		20.860	-23.666	1.00	67.66	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	532753285331533253345335533853395341534253445347535053515352535553565358535953615363536653705374537553775378538053835384538553885389539153925394539754005403540654105411541354145416541854225426542754295430543254355436543854405442	OE1NE2CONCACONCACBCGCDOE1NE2CONCACBCG1CD1CG2CONCACBCGOD1ND2CONCACBCGCDCENZCONCACBCG1CG2CONCACBCGCD1CE1CZCE2	GLN AGLN AGLN AGLN AGLY AGLY AGLY AGLY AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AILE AILE AILE AILE AILE AILE AILE AILE AASN AASN AASN AASN AASN AASN AASN AASN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE A	329329329329330330330330331331331331331331331331331332332332332332332332332333333333333333333333333334334334334334334334334334335335335335335335335336336336336336336336336	31.47433.69029.40229.92128.09127.21627.49428.02227.11727.38428.52129.89130.71931.92430.07926.12025.47725.78724.78224.17623.46923.08223.18225.46926.31625.14425.76625.79226.30627.46625.43025.07325.73523.74222.94722.45823.48324.24225.17826.10921.68821.22321.13319.80519.82818.40320.73619.10719.74417.81817.02316.78418.02018.39819.48920.26619.899		21.04920.64821.75922.63721.48622.00521.31320.21321.96421.49122.30622.13521.02820.94220.17721.72322.76120.76220.95619.61718.87917.43719.86621.63521.03422.89123.60225.12125.93825.81326.74923.29923.22023.20322.87224.11225.14924.87926.07725.84722.14922.30121.39620.81119.29018.76218.95221.10821.12921.43121.89023.40524.23724.98325.79625.90425.192	-24.246-24.323-20.104-19.400-20.083-19.037-17.709-17.670-16.616-15.269-14.625-15.292-14.667-14.898-13.867-14.435-14.537-13.602-12.594-12.113-13.242-12.917-10.982-11.428-10.804-11.149-10.017-10.270-9.050-8.597-8.510-8.676-7.668-8.682-7.497-6.744-6.385-5.142-4.862-3.723-7.912-9.046-6.973-7.098-7.364-7.627-8.538-5.774-4.732-5.855-4.728-4.771-4.746-5.882-5.847-4.670-3.544	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	70.2371.0651.8952.8043.5836.8733.4933.1029.4031.7333.5242.8348.2258.0749.4226.7524.3025.9722.4823.1224.1620.6522.7826.5630.3225.1123.6621.7928.0430.9719.5126.6327.6322.5728.7528.4132.6030.5934.8332.8623.4520.7320.3621.9925.7427.8129.0926.0726.1227.1028.8629.4625.9629.6529.4129.1734.47	ONCONCCONCCCCONCONCCCCCCONCCCONCONCCCCCNCONCCCCCONCCCCCCC

原子	5444	CD2	PHE A	336	18.771	24.352	-3.591	1.00	29.64	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	544654475449545054525455545854595463546454665467546954725473547554775479548154835484548654875489549254935494549554965498549955015504550755105513551755185520552155245525552755285530553355355536553855395541554455465547554955505552	CONCACBCGSDCECONCACBCGCD1CE1CZCE2CD2CONCACBCGOD1OD2CONCACBCGCDCENZCONCACONCACBSGCONCACBOGCONCACB	PHE APHE AMET AMET AMET AMET AMET AMET AMET AMET APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLY AGLY AGLY AGLY ACYS ACYS ACYS ACYS ACYS ACYS ASER ASER ASER ASER ASER ASER APHE APHE APHE A	336336337337337337337337337337338338338338338338338338338338338339339339339339339339339340340340340340340340340340341341341341342342342342342342343343343343343343344344344	15.67015.11415.12813.74813.69012.28612.00910.24112.87013.26111.67010.74911.16010.1289.8658.8898.1608.4089.3879.3269.0708.3986.9766.4414.9294.4614.2226.6896.0847.1406.8705.3554.7983.4713.1134.1427.5917.2608.5519.34510.85111.45411.44612.91413.29215.08213.55613.29614.44514.99414.80513.47816.48017.16416.97518.40618.629	21.24621.19420.78620.30718.91218.32717.34217.05621.23021.63521.51322.39823.85424.83424.96125.84326.61826.49725.60022.20122.26121.98621.93123.34923.38324.26322.52221.08621.57419.83518.86318.74519.69220.37021.51122.60119.15318.52920.08520.41620.21620.80319.36919.22517.76717.47920.07219.85720.98921.98523.40323.82821.76821.59021.81521.60820.547	-4.862-5.976-3.735-3.663-3.074-3.039-4.495-4.328-2.805-1.706-3.305-2.645-2.854-2.368-1.004-0.547-1.454-2.824-3.274-3.164-4.375-2.233-2.555-2.785-2.981-3.737-2.406-3.787-4.746-3.762-4.834-5.105-6.209-5.807-6.755-6.779-6.151-7.164-6.144-7.328-7.103-6.199-7.919-7.960-8.151-8.134-9.073-10.264-8.692-9.646-9.086-9.228-9.820-8.813-11.061-11.373-12.461	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	32.3231.6829.5230.1331.1733.4737.4042.3632.4429.7731.6134.4240.3641.5740.1242.4542.6842.1143.1539.6531.3239.5042.0343.5246.4352.6944.7039.9437.7641.4642.9148.5458.8163.1766.1068.0740.8842.3334.3431.7026.9626.6522.8421.6121.6328.0423.0627.7720.3225.7424.1240.6325.1922.2921.8525.2823.19	CONCCCSCCONCCCCCCCCCONCCCOOCONCCCCCNCONCCONCCSCONCCOCONCC

原子	5555	CG	PHE A	344	18.259	19.152	-12.075	1.00	18.74	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	555655585560556255645566556755695570557255755577558155855586558855895591559455965597559956005602560456085612561356155616561856215622562456265628563056325633563556365639564056425643564556485649565156535655565756595660566256635665	CD1CE1CZCE2CD2CONCACBCGCD1CD2CONCACBSGCONCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACONCACBCGCD1CE1CZCE2CD2CONCACB	PHE APHE APHE APHE APHE APHE APHE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ACYS ACYS ACYS ACYS ACYS ACYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLY AGLY AGLY AGLY APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APRO APRO APRO A	344344344344344344344345345345345345345345345346346346346346346347347347347347347347348348348348348348348348348348348349349349349350350350350350350350350350350350351351351	16.94216.58117.55118.90919.24818.94818.44419.93820.50520.92021.28621.65822.39221.70022.77921.50422.58222.05921.06423.23622.58124.53225.30226.17027.05725.30026.21026.90626.16826.97826.08725.25724.05323.28623.72524.93125.69327.92227.48929.20130.22430.92931.39731.00531.83431.64230.64129.94829.04628.83429.53330.41533.32733.65034.23935.68036.365	18.75917.43516.49416.87018.20122.91323.40223.49124.77525.61227.09227.74427.31224.43824.12124.42924.06223.13521.75725.29926.34225.20226.36726.93628.14527.28725.94024.92926.72226.54126.58025.35925.21624.09023.06723.18624.33027.74428.87027.48828.53128.77229.86927.76527.86926.63826.81525.70825.81727.05328.17628.05127.96427.72528.33628.29328.226	-12.048-11.703-11.437-11.477-11.807-11.924-12.939-11.254-11.673-10.458-10.630-9.246-11.691-12.535-12.003-13.857-14.805-15.903-15.283-15.416-15.591-15.711-16.151-15.000-15.482-13.765-17.299-17.230-18.354-19.534-20.770-20.943-20.270-20.433-21.270-21.915-21.753-19.537-19.285-19.774-19.799-18.475-18.233-17.606-16.406-15.504-14.372-13.897-12.836-12.256-12.739-13.772-16.838-18.001-15.919-16.260-14.893	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	22.5721.5526.7229.0227.0221.2318.5122.1121.7321.6825.4726.1626.6921.6619.8219.9819.2417.2523.4422.2520.6720.3620.1722.7924.1718.1622.9021.2926.1126.9327.4231.6029.7532.8933.7829.3729.6429.6127.6834.5640.0644.6842.9248.3752.5250.3443.5137.8340.1839.8738.2231.3259.5056.1568.1873.8274.12	CCCCCCONCCCCCCONCCSCONCCCCCONCCCCCCCCCONCCONCCCCCCCCCONCC

原子	5668	CG	PRO A	351	35.316	28.634	-13.877	1.00	73.25	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	567156745675567656775680568156835684568656895692569356945695569656985699570157045707571057135717571857205721572357255729573357345736573757395742574557485749575057515753575657575758575957605762576357655768577157725773577457755777	CDCONCACONCACBCGCDOE1OE2CONCACBCGCDCENZCONCACBCG1CG2CONCACBCGCDCONCACBCGOD1OD2CONCACBCGCDOE1OE2CON	PRO APRO APRO AGLY AGLY AGLY AGLY AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL APRO APRO APRO APRO APRO APRO APRO AASP AASP AASP AASP AASP AASP AASP AASP AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU A	351351351352352352352353353353353353353353353353354354354354354354354354354355355355355355355355356356356356356356356357357357357357357357357358358358358358358358358358359	34.00636.07036.05136.41036.54436.43037.06935.59735.50936.90337.98237.54536.90537.86334.70533.68135.18234.89235.25336.74737.17438.67639.14833.49732.48533.49032.31431.42732.05431.15831.44830.47931.79130.91331.77333.15732.98629.57928.89729.21527.83827.83027.18526.00627.87026.97225.96527.40326.76827.35326.74827.56927.03128.78325.24824.56524.723	28.86127.08025.94227.33526.27726.79026.24827.81628.59428.98929.36530.41531.40930.25027.94128.47926.77826.19124.68824.39224.62124.43623.08826.39526.55726.33326.56525.27924.33224.55827.73427.53428.96630.10431.34130.82329.38430.10431.13528.96528.70327.58828.01328.44527.91728.30327.61028.75228.45129.38129.37530.28431.32929.97628.56127.68129.611	-14.566-17.128-16.650-18.392-19.405-20.841-21.749-21.046-22.308-22.849-21.818-20.818-21.222-19.622-23.455-23.886-23.907-25.242-25.252-25.468-26.925-27.121-26.694-25.880-25.188-27.218-28.076-28.273-29.301-26.942-27.607-26.868-28.038-27.726-28.068-28.391-28.792-28.500-28.530-29.109-29.552-30.597-31.885-31.860-32.922-28.343-28.466-27.170-25.899-24.831-23.423-22.495-22.025-22.288-25.974-25.468-26.622	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	70.0379.1680.4485.4489.9194.8897.2498.88100.89101.06101.38100.45100.4598.77102.19100.21104.52105.58106.21106.68107.09106.97105.94105.23104.52104.16102.02103.66103.64103.8898.4898.3093.6389.2691.1393.0894.1182.5683.8871.5061.6164.3865.9968.6464.2152.3943.5943.3943.6543.3039.0846.4740.8941.7141.2535.3736.27	CCONCCONCCCCOOCONCCCCCNCONCCCCCONCCCCCONCCCOOCONCCCCOOCON

原子	5778	CA	LEU A	359	23.284	29.911	-26.541	1.00	36.14	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	578057835785578957935794579657975799580158035807580858105811581358165817581958215823582558265828582958315835583658385839584158445846585058545855585758585860586358665867586858695870587258735875587858805881588358845886589058915893	CBCGCDCD2CONCACBOG1CG2CONCACBCGND1CE1NE2CD2CONCACBCONCACBCGCD1CD2CONCACBCGCDOE1OE2CONCACBSGCONCACBCON	LEU ALEU ALEU ALEU ALEU ALEU ATHR ATHR ATHR ATHR ATHR ATHR ATHR AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AALA AALA AALA AALA AALA ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ACYS ACYS ACYS ACYS ACYS ACYS AALA AALA AALA AALA AALA AMET A	359359359359359359360360360360360360360361361361361361361361361361361362362362362362363363363363363363363363364364364364364364364364364365365365365365365366366366366366367	22.96623.61423.26223.22322.45921.44722.87722.19422.87323.16021.98622.21521.22323.35923.51924.99625.82025.27526.22727.37227.14522.71122.20922.59621.77021.93220.28619.60319.81118.41818.05417.96917.79716.83518.10317.09618.97218.79919.77719.33920.41221.57820.07418.95018.26219.82919.97221.21622.68918.70818.23618.16216.91916.53315.78014.98915.654	31.33632.50633.84332.51928.90228.40128.61327.62327.45928.75326.67726.27225.55825.94124.67424.40024.16523.69323.58523.96124.32224.59323.52325.70925.73727.06425.47224.77726.02825.87926.86828.36229.21028.67224.46723.90523.89522.50322.19322.83422.79522.47523.09321.52220.50121.83821.00021.37620.74321.04720.00622.25322.45223.92821.64921.04221.720	-27.026-26.268-26.927-24.818-27.327-26.836-28.553-29.354-30.729-31.279-31.683-28.639-28.590-28.067-27.409-27.109-28.340-29.514-30.426-29.879-28.572-26.138-25.830-25.402-24.201-23.471-24.549-23.820-25.664-26.079-27.181-26.805-28.093-25.844-26.527-26.129-27.354-27.798-28.931-30.234-31.313-30.999-32.481-26.652-26.607-25.710-24.533-23.737-24.577-23.683-23.248-23.470-22.734-22.757-23.349-22.654-24.675	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	31.5532.4729.3031.0737.7434.7337.6341.3544.4351.2941.1540.8540.1440.4439.2144.8343.5146.6049.9248.3646.1038.8331.0033.0531.3926.3426.7727.0826.7825.4025.3321.6022.9721.6126.5524.0625.3631.4535.4639.2647.8245.3149.6725.6926.7526.4329.0832.1948.6026.2625.7824.6022.0024.2523.6722.7923.49	CCCCCONCCOCCONCCCNCNCCONCCCONCCCCCCONCCCCOOCONCCSCONCCCON

原子	5894	CA	MET A	367	14.563	21.006	-25.351	1.00	22.33	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	589658995902590359075908591059115913591659175918591959205922592359255927593059345938593959415942594459475948595059525954595659585959596159625964596759685969597059715973597459765979598059825984598659885990599159935994599659996001	CBCGSDCECONCACBCGOD1OD2CONCACBCG1CD1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBCGOD1OD2CONCACBCGCD1CE1CZCE2CD2CONCACBSGC	MET AMET AMET AMET AMET AMET AASP AASP AASP AASP AASP AASP AASP AASP AILE AILE AILE AILE AILE AILE AILE AILE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ACYS ACYS ACYS ACYS ACYS A	367367367367367367368368368368368368368368369369369369369369369369370370370370370370370370370370370371371371371371371371371372372372372372372372372372372372373373373373373	14.47213.24411.69211.52814.76013.80216.00316.26717.74818.11919.14117.40915.85615.12416.30715.92816.61518.11518.95715.95714.40513.79213.78912.33711.87010.3769.7998.4257.6128.1589.54111.59310.66511.99311.33011.85811.40712.09210.38611.48510.52412.68212.90714.39114.69314.95415.21915.22314.95614.69512.16611.42512.36711.76112.27614.01710.244	21.44620.91621.37823.05719.50218.74219.05117.62617.36615.88815.52415.09517.13916.14917.85717.55618.53618.22019.39818.44717.61216.72918.64918.80820.06120.26121.00621.17320.58119.80919.65217.58917.06417.15916.03215.84416.94517.13117.62514.74414.02014.45913.22513.00311.71210.5519.3519.30410.44911.64513.21712.27614.23914.26315.44415.31214.257	-26.820-27.581-26.781-27.309-25.225-25.029-25.309-25.195-25.503-25.461-26.072-24.805-23.790-23.619-22.773-21.403-20.413-20.303-19.745-19.012-21.247-20.622-21.811-21.716-22.433-22.373-21.366-21.305-22.221-23.237-23.312-22.291-21.666-23.482-24.151-25.574-26.515-27.535-26.235-23.376-23.190-22.903-22.173-21.929-21.218-21.946-21.287-19.896-19.161-19.821-20.836-20.540-20.023-18.687-17.867-17.600-18.723	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	27.4828.7537.0934.4622.3628.2124.1423.7426.7731.7437.8943.4925.9724.2925.9924.2522.1526.4227.4016.3321.4722.0322.9720.0223.9521.7625.8025.8627.3832.5728.5428.7425.1530.6332.0834.4636.6642.5437.0429.9234.5929.8527.1931.0835.4336.3735.5234.7637.7434.5729.6529.3726.9028.9725.4429.1329.62	CCSCCONCCCOOCONCCCCCCONCCCCCCCCCONCCCOOCONCCCCCCCCCONCCSC

原子	6002	O	CYS A	373	9.604	13.741	-17.802	1.00	28.71	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	600460056007601060126013601560166018602160246025602660296030603260336035603760416045604660486049605160546055605760596061606360646066606760696072607560786081608560866088608960916093609661006104610561076108611061136116611761186121	NCACBOGCONCACBCGCDOE1NE2CONCACBCG1CG2CONCACBCGND1CE1NE2CD2CONCACBCGCDCENZCONCACBCG1CD1CG2CONCACBCGCDOE1NE2C	SER ASER ASER ASER ASER ASER AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AVAL AVAL AVAL AVAL AVAL AVAL AVAL AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AILE AILE AILE AILE AILE AILE AILE AILE AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN A	374374374374374374375375375375375375375375375376376376376376376376377377377377377377377377377377378378378378378378378378378379379379379379379379379380380380380380380380380	9.6628.2067.8007.9967.6226.4788.4117.9678.4748.2206.7395.8736.4458.4118.1739.0459.38110.53010.58011.8628.1477.4427.8986.7496.7895.6894.3553.6194.4285.7286.8017.8365.6885.5356.3295.9534.4754.1594.6445.8745.4526.6256.8848.1759.38210.7418.3185.6555.3374.9963.7273.0601.6401.1601.7580.0823.932	14.83114.84715.63617.01213.42313.19512.47411.10810.52011.39311.65310.88012.74710.2309.02610.7999.99810.5729.90510.3799.82610.7928.5738.2006.6916.1916.3355.7905.2935.5208.9408.9429.56810.3089.7028.2798.1806.9417.07111.77312.58512.15313.57413.84913.32813.62515.33114.21913.96215.08215.69916.21016.73417.33618.29416.77516.851	-19.774-19.917-21.155-20.938-20.004-19.638-20.477-20.595-21.912-23.138-23.401-22.988-24.102-19.425-19.444-18.401-17.220-16.385-15.002-17.106-16.348-16.024-15.984-15.164-14.908-14.027-14.345-13.392-12.472-12.851-13.842-13.190-13.474-12.226-11.056-10.678-10.335-9.503-8.097-12.359-11.520-13.391-13.565-14.373-13.592-14.276-14.606-14.203-15.355-13.449-13.847-12.568-12.672-11.338-10.815-10.785-14.846	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	29.0333.5733.9737.0435.6740.0735.6538.2641.6950.6557.1067.3164.4838.1334.7038.4036.5136.3035.8334.3239.0732.0142.8545.5550.3355.0759.3762.0063.3258.6042.4242.8436.1137.2441.1847.1053.4758.3559.0134.5031.5331.6832.1133.8030.7724.5428.3130.2735.5936.6937.7643.2853.0658.3556.2962.9839.25	NCCOCONCCCCONCONCCCCCONCCCNCNCCONCCCCCNCONCCCCCCONCCCCONC

原子	6122	O	GLN A	380	3.217	16.946	-15.847	1.00	36.74	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	612461256127612961316135613661386139614161436147615161526154615561576160616261636165616661686170617361776181618261846185618861896191619261946196620062046205620762086210621462156217621862206223622562266228622962326233623562366238	NCACBOG1CG2CONCACBCG1CG2CONCACBOGCONCACBCG1CD1CG2CONCACONCACBCG1CG2CONCACBCONCACBOGCONCACONCACB	THR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL AVAL AVAL AVAL AVAL ASER ASER ASER ASER ASER ASER AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY AVAL AVAL AVAL AVAL AVAL AVAL AVAL AALA AALA AALA AALA AALA ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY AILE AILE AILE A	381381381381381381381382382382382382382382383383383383383383384384384384384384384384385385385385386386386386386386386387387387387387388388388388388388389389389389390390390	4.9265.2134.4923.0714.8636.7357.4177.2438.6129.39810.8919.3348.5877.8219.4169.5488.8037.55511.03911.77911.47312.86413.61313.34714.03315.12213.00112.46113.69814.02015.46316.35215.69717.05017.21218.65316.75217.33016.61118.38118.78618.29420.32120.98620.85822.29922.73922.31622.71622.06423.80524.30125.54126.04725.99827.12727.777	17.70618.89920.14019.94321.44119.14818.93819.53919.99519.09519.56817.69621.42621.77022.26523.66424.53023.95824.02123.55824.79625.18324.31922.84021.87624.67026.62927.06227.38628.78828.90128.30229.64229.83429.20629.34027.73631.33632.05831.78133.20033.81833.26532.37834.27834.47534.22432.93035.88936.88935.97237.25037.05235.92338.15838.16839.557	-14.569-15.358-14.761-14.828-15.504-15.383-14.386-16.545-16.715-17.694-17.829-17.221-17.219-18.128-16.604-16.970-15.968-15.620-16.963-16.084-17.957-18.073-19.095-18.814-19.793-19.074-18.453-19.487-17.607-17.888-18.304-17.670-19.380-19.939-21.346-21.846-21.339-20.012-20.677-19.328-19.281-17.997-19.344-18.801-20.028-20.236-21.682-22.132-19.851-20.197-19.114-18.655-17.803-17.663-17.224-16.310-16.175	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	30.6730.2533.9038.8333.9629.0330.4929.4925.5729.5327.4328.0927.6128.1024.2726.6923.8424.7528.1924.9222.4821.5923.2520.8523.7020.4223.4824.6121.3622.1925.6522.2221.8823.7026.2219.9618.0825.3621.7919.5324.6423.3726.9321.6224.0027.0520.9740.1627.9826.3026.4929.0829.1131.3726.7429.7230.79	NCCOCCONCCCCCONCCOC0NCCCCCCONCCONCCCCCONCCCONCCOCONCCONCC

原子	6240	CG1	ILE A	390	28.172	40.122	-17.533	1.00	33.42	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	624362476251625262546255625762596263626762686270627162736276627762796281628362856287628862906291629362966298629963016302630563066308630963116313631663206324632563276328633063326336634063416343634463476348635063516353635663576359	CD1CG2CONCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBSGCONCACONCACBCG1CD1CG2CONCACBCG1CG2CONCACONCACBCGND1CE1	ILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ACYS ACYS ACYS ACYS ACYS ACYS AGLY AGLY AGLY AGLY AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AGLY AGLY AGLY AGLY AHIS AHIS AHIS AHIS AHIS AHIS A	390390390390391391391391391391391392392392392392392392392392392392393393393393393393394394394394395395395395395395395395396396396396396396396397397397397398398398398398398	29.25629.02626.65925.73927.28226.93726.19124.91127.06928.23129.30228.10429.24129.02629.96931.29232.16331.73530.43529.57229.33928.32430.54930.87031.41530.36431.97532.93531.85432.95232.63031.49733.63933.48634.77335.00736.41934.66833.04333.78831.82431.16229.78129.08429.92830.99730.61731.28131.08332.32433.07532.52933.67033.14034.01835.16335.713	39.34239.45737.72338.30736.66236.12034.77134.91433.70536.01735.91536.10535.94036.64236.15136.60836.14935.19234.70035.15934.46833.84133.92532.54931.83931.96332.57333.30731.77631.63330.68930.21530.42029.61328.83127.82227.26428.11130.53531.40230.28231.08531.58332.38132.43530.30529.16730.96330.40830.59931.57329.67929.71829.20029.45228.72529.134	-18.217-15.304-14.944-14.337-14.457-13.155-13.230-14.096-13.750-12.366-12.941-11.058-10.175-8.842-7.778-7.749-6.790-5.855-5.906-6.891-9.901-9.602-10.054-9.720-10.952-12.406-8.660-8.806-7.596-6.630-5.469-5.315-4.670-3.461-3.152-4.279-4.384-1.806-2.316-1.858-1.850-0.856-1.359-0.268-2.6440.4420.4271.5712.9013.7593.5914.6835.6507.0008.1758.4139.545	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	36.0529.8224.5226.3529.4824.5024.1619.7431.2622.5323.8018.2620.5321.4125.5324.6330.8329.0729.9025.8319.8618.8621.2918.9923.9329.5523.7726.2321.0418.0719.7720.8318.6117.7020.6423.6223.3818.5019.6320.5917.2220.2523.1425.9221.0015.4719.5018.8819.6617.5421.0318.7017.3620.2918.6217.3019.59	CCCONCCCCCONCCCCCCCCC0NCCSCONCCONCCCCCCONCCCCCONCCONCCCNC

原子	6361	NE2	HIS A	398	34.945	30.071	10.069	1.00	19.10	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	636363656366636863696371637363756379638063826383638563876391639563966398639964016404640764106412641364166419642064226423642564286429643164336435643764386440644164436446644964506451645264536455645664586461646264646466646764696471	CD2CONCACBOG1CG2CONCACBCG1CG2CONCACBCGCDNECZNH1NH2CONCACBCGND1CE1NE2CD2CONCACBCGCDOE1OE2CONCACBCGCD1CE1CZOHCE2CD2	HIS AHIS AHIS ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL AVAL AVAL AVAL AVAL AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR A	398398398399399399399399399399400400400400400400400401401401401401401401401401401401402402402402402402402402402402403403403403403403403403403404404404404404404404404404404	33.87834.78034.50036.03037.12738.30838.77139.45236.75637.10136.06235.77035.68936.92334.42034.47434.20733.68132.38831.30729.94429.95828.73628.55729.54327.39031.99431.60732.17831.94233.17834.48035.67536.65136.14434.78531.52231.75930.87930.47929.00728.76227.32626.44727.09930.64430.49230.90430.97631.61331.82132.83133.01532.19632.34431.18531.013	30.29528.79227.82229.05128.12228.43229.74527.47426.67425.79426.40225.01024.81025.37525.44724.49223.31025.37724.99324.90024.29122.81622.39922.42422.80622.07625.99927.12825.60626.48927.35526.60027.14226.27325.20225.37225.72424.50926.41525.78025.35424.28923.83224.39422.84826.74427.94726.18826.98326.15626.85727.80528.44928.11128.70827.18426.553	9.2285.1334.4185.5255.2696.2045.9455.9855.5244.7356.6227.0038.5559.2499.1386.3616.4235.7605.1846.2775.8165.3854.6953.3772.5572.8714.1124.4182.8501.7051.3681.2481.6621.4690.8910.7620.4940.391-0.447-1.702-1.627-0.583-0.514-1.1910.182-2.871-2.731-4.037-5.267-6.335-7.640-7.807-9.03210.10111.332-9.944-8.725	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	14.9418.4616.6919.4918.1028.4128.1926.6519.4818.7920.9120.0121.2424.4318.8517.7218.6614.7916.0213.2912.1014.8616.6017.7318.6320.6915.9615.4717.4519.9819.8922.3421.4922.1717.7420.3616.1117.4316.2514.2716.7520.1222.7020.7023.8117.5320.3220.4919.3621.5716.7428.0327.8433.9740.5231.7928.40	CCONCCOCCONCCCCCONCCCCNCNNCONCCCNCNCCONCCCCOOCONCCCCCCOCC

原子	6473	C	TYR A	404	29.563	27.351	-5.669	1.00	18.67	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	647464766477647964816483648764886490649164936495649965036504650665076509651165146518652265236525652665296530653265336535653865416542654365466547654965506552655565586561656465686569657165726574657665806584658565876588658965926593	ONCACBOG1CG2CONCACBCG1CG2CONCACBCG1CD1CG2CONCACONCACBCGCDOE1NE2CONCACBCGCDCENZCONCACBCG1CG2CONCACACBCB	TYR ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASN AASN AASN AASN AASN A	404405405405405405405405406406406406406406406407407407407407407407407408408408408409409409409409409409409409410410410410410410410410410411411411411411411411412412412412412	28.69729.32727.98227.58627.68226.17227.94028.93926.80226.58026.21427.35924.90525.49124.47725.76724.89125.47825.86726.47624.46824.70825.67123.47423.21221.76221.01621.38220.04920.08218.88918.55819.36217.36619.59818.44720.49720.07221.06121.19719.92620.13119.13019.80119.06520.37120.06521.04420.71022.50318.66217.86018.34017.00917.01116.94416.940	26.49228.64129.16529.82828.85030.41930.16930.79230.25231.24430.60829.72329.81732.19731.77433.49034.54535.28634.35135.11036.29435.62136.04936.05737.14637.20936.23938.37438.62940.01640.88741.01241.51940.53537.55437.12937.07736.11836.02937.31637.65738.79138.71134.73233.97634.42033.19732.93631.63832.91733.30132.36734.44234.64334.62335.94635.894	-5.795-5.820-5.922-4.549-3.488-4.594-7.101-7.422-7.774-8.823-10.179-10.675-10.046-8.356-7.805-8.472-7.977-6.752-5.604-4.412-6.221-9.080-9.735-9.284-10.260-10.697-10.591-11.185-11.740-12.411-12.157-10.692-9.904-10.309-12.743-12.737-13.586-14.599-15.733-16.507-17.232-18.242-19.324-14.033-14.650-12.857-12.150-10.950-10.210-11.428-11.637-11.799-11.023-10.444-10.450-9.639-9.613	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.000.500.500.500.50	20.6719.0720.1524.7821.9519.6419.9722.9323.0726.2332.9927.8336.1424.0824.2323.0019.5521.1127.8427.5721.8224.4821.6024.6325.4624.9623.4426.1831.6037.3347.9352.8757.9155.2925.5725.6722.9425.4426.1330.6934.0433.9729.9126.5827.6922.6520.9525.4322.8524.3423.6221.3619.6522.8222.0724.3922.95	ONCCOCCONCCCCCONCCCCCCONCCONCCCCONCONCCCCCNCONCCCCCONCCCC

原子	6598	CG	ASN A	412	18.038	36.048	-8.582	0.50	28.70	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	659966006601660266036608660966116612661466176619662366276628663066316633663766386640664166436647664866506651665366566659666266646665666866716672667466756677668066836684668866896691669266946697670067016705670667086709671167146717	CGOD1AOD1BND2AND2BCONCACBCGCD1CD2CONCACBCONCACBCONCACBCGCDNECZNH1NH2CONCACBCGSDCECONCACBCGSDCECONCACBCGSD	ASN AASN AASN AASN AASN AASN AASN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA AALA AALA AALA AALA AALA AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET A	412412412412412412412413413413413413413413413414414414414414415415415415415416416416416416416416416416416416417417417417417417417417418418418418418418418418419419419419419	15.54918.39814.91818.56615.05215.93514.86016.25615.35015.98815.12415.80513.66915.01013.84416.03115.82417.15814.90914.00415.16014.39315.04312.92012.02512.67311.30611.31611.98411.11611.87011.43310.22112.21010.5859.40111.30510.71211.71712.07213.58413.04710.1799.08110.93610.47311.60211.96213.42113.2729.1968.3739.0097.8588.2569.4209.179	36.16035.05735.27837.25937.37534.64934.09335.25835.32436.12936.94137.02436.51333.92333.55433.14231.74431.02430.99730.28831.16730.54230.89230.95030.12732.23332.74934.25634.75134.55334.80034.51333.98334.76432.37132.08632.33531.91132.03133.43533.59232.85430.49830.25229.54928.15827.18727.22326.31226.72828.00327.11228.89828.82129.33228.50826.721	-9.093-7.941-8.508-8.391-9.315-11.537-11.359-12.668-13.798-14.939-15.926-17.298-16.043-14.290-14.334-14.680-15.045-15.202-14.073-14.506-12.771-11.691-10.299-11.668-11.490-11.843-11.847-11.693-10.416-9.197-7.958-6.728-6.532-5.676-13.132-13.093-14.261-15.531-16.674-17.091-18.109-19.634-15.470-15.949-14.894-14.843-14.431-12.991-12.462-10.725-13.975-14.214-13.012-12.114-10.738-10.120-10.205	0.500.500.500.500.501.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	25.5935.5632.3829.9328.2223.1622.0323.9425.7825.7935.1225.0130.8623.7525.1324.9625.2022.9922.0723.6323.4323.7723.9625.6724.1924.8825.7127.0136.3741.5752.9058.2063.1661.5126.5023.2926.1122.1723.2229.1731.1934.5223.4027.7023.5823.5023.5728.0628.2828.8526.0828.6530.8229.1033.7932.7233.93	COONNCONCCCCCCONCCCONCCCONCCCCNCNNCONCCCSCCONCCCSCCONCCCS

原子	6718	CE	MET A	419	7.613	26.502	-9.357	1.00	35.79	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	672267236725672667286731673267346736673767396741674367446746674767496752675367556757675867606762676467656767676867706773677667796780678167826785678667886789679167936796680068046805680768086810681268166820682168236824682668286830	CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCDCONCACONCACBCG1CD1CG2CONCACBCG1CG2CONCACBOG1CG2	MET AMET ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APRO APRO APRO APRO APRO APRO APRO AGLY AGLY AGLY AGLY AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATHR ATHR ATHR ATHR ATHR A	419419420420420420420420420420420420420420421421421421421421421421421421421421422422422422422422422423423423423424424424424424424424424425425425425425425425426426426426426	6.6855.5576.9505.8816.3026.2757.2867.2646.2206.1655.2145.2425.4034.3316.1875.8116.6746.5847.3717.2926.4236.3225.6435.7275.9606.8785.0875.2324.1913.1353.9534.9384.2035.5075.1805.7835.4826.6787.3456.6246.5816.4505.1828.8289.2809.55210.93711.81713.27411.86710.88310.32111.42311.48310.74411.1589.222	29.60529.12330.79731.61933.08133.78233.58034.24835.12535.81435.33234.65831.18931.63630.35129.85830.48331.97632.84034.23234.76136.11733.93432.54328.34727.82227.63726.20325.84426.96028.17425.44625.92924.25723.33923.64322.95224.63325.00526.18027.42028.75325.73125.34025.38725.55826.03025.28325.94023.79327.51127.89828.34629.78430.55430.07130.379	-12.686-12.668-13.211-13.796-13.871-12.529-11.580-10.340-10.063-8.869-10.990-12.212-15.168-15.604-15.855-17.183-18.284-18.454-17.702-17.881-18.832-19.026-19.563-19.389-17.209-17.867-16.473-16.319-15.237-15.343-15.690-17.599-18.448-17.722-18.809-20.157-21.134-20.214-21.454-22.143-21.239-22.017-22.583-21.206-20.056-22.291-22.252-23.246-23.361-22.929-22.601-23.646-21.718-21.941-20.854-19.569-20.995	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	30.6331.2427.9232.0930.0937.8239.5239.9543.6144.9743.3940.7031.8426.3728.6026.7824.0724.8531.1026.6026.7525.5921.2326.7922.7427.9824.8827.6027.5827.7525.9526.3633.5422.8025.3325.9025.3925.0625.2725.5529.0121.6227.2724.9621.7622.9522.5823.7020.6225.5623.4525.1822.1522.6826.9125.2523.89	CONCCCCCCOCCCONCCCCCCOCCCONCCCCCONCCONCCCCCCONCCCCCONCCOC

原子	6834	C	THR A	426	12.917	30.296	-21.963	1.00	27.92	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	683568376838684068436845684668486849685168546855685668576858686068616863686668686869687168726874687668806884688568876888689068926894689868996901690269046907690869106912691369156917691969206922692369256928692969306933693469366937	ONCACBSGCONCACBCGOD1OD2CONCACBOGCONCACBCG1CG2CONCACBOG1CG2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGOD1ND2CONCA	THR ACYS ACYS ACYS ACYS ACYS ACYS AASP AASP AASP AASP AASP AASP AASP AASP ASER ASER ASER ASER ASER ASER AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AASN AASN AASN AASN AASN AASN AASN AASN AGLY AGLY A	426427427427427427427428428428428428428428428429429429429429429430430430430430430430431431431431431431431432432432432432432432432432432432432433433433433433433433433434434	13.83913.08614.38215.22114.78514.22213.10815.32815.35716.27617.72818.08018.53715.78716.07915.84216.23315.96214.58717.66117.90018.60820.00320.94122.35920.91720.09920.71019.47219.52418.88819.55618.97818.83719.35717.67816.92215.61914.84314.06513.34813.41912.71614.19514.88917.75517.91718.27618.97419.15217.83317.48017.10820.31520.65921.05022.349	29.70831.42032.06631.53532.18233.57534.13134.23835.67936.12735.81235.11636.24536.28435.55437.61338.29539.79040.01438.04137.92837.98237.69237.66137.32539.00036.36836.25135.35434.02333.03633.15131.63933.97333.38334.62134.64835.42835.70334.71934.96136.19836.41937.20236.94735.28434.70236.47437.25538.70539.46940.02339.49136.64236.61836.12735.525	-21.372-22.631-22.691-23.869-25.515-22.672-22.871-22.359-22.262-21.094-21.317-22.308-20.459-23.615-24.569-23.681-24.924-24.831-25.039-25.389-26.599-24.456-24.800-23.551-23.992-22.823-25.511-26.579-24.931-25.521-24.563-23.299-25.098-26.878-27.844-26.966-28.209-28.005-29.270-29.847-30.989-31.584-32.745-31.022-29.883-29.331-30.402-29.064-30.085-29.606-29.543-28.520-30.642-30.499-31.679-29.524-29.759	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	24.1219.2926.7826.6427.0026.5021.1323.2025.7324.5524.9325.8126.2224.6123.6628.2929.2831.6142.0028.3826.0726.6428.8927.5928.1927.4526.8626.0825.5728.0130.5922.9928.9430.2026.5528.6528.3628.3128.3629.8637.9338.2237.2832.4030.4830.2330.7034.5138.9237.2735.9442.5136.0239.7839.9539.3040.93	ONCCSCONCCCOOCONCCOCONCCCCCONCCOCCONCCCCCCOCCCONCCCONCONC

原子	6940	C	GLY A	434	22.321	34.100	-30.266	1.00	45.46	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	694169436944694669496951695269546955695769606961696269656966696869696971697469766980698469856987698869906993699669997000700170027004700870097011701270147017701870207022702370257027702970307032703370357038703970417043704570477049	ONCACBOGCONCACBCGOD1ND2CONCACBCGCD1CD2CONCACBCGCDCONCACBCONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1CE1CZCE2CD2C	GLY ASER ASER ASER ASER ASER ASER AASN AASN AASN AASN AASN AASN AASN AASN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU APRO APRO APRO APRO APRO APRO APRO AALA AALA AALA AALA AALA ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE A	434435435435435435435436436436436436436436436437437437437437437437437438438438438438438438439439439439439440440440440440440440440440440440440441441441441441441441441441441	23.36421.16521.04719.74318.62421.07421.52420.52020.30221.64621.51320.89822.10119.51019.35419.00218.08217.54718.44617.75918.86916.91216.68816.15315.03014.40715.45516.26014.01613.82213.40312.43511.87411.28210.76210.8819.6689.14810.14310.27211.17211.96712.87511.86210.9629.9239.02711.14611.43212.93013.44712.94713.45314.46914.99414.48010.960	33.59233.43132.10731.40832.02032.25031.36033.36433.61933.88834.79335.86034.37432.51832.60231.51530.51429.57328.45827.69627.47631.23932.42930.53431.22830.14029.06029.12031.75331.11432.90833.49234.81332.54932.52531.77730.94730.55829.76928.39827.68228.33127.61829.69030.40429.70128.88229.55028.55528.29627.33227.30326.40625.55925.59126.47529.037	-30.680-30.232-30.864-30.467-31.109-32.386-33.111-32.851-34.272-34.971-36.176-36.105-37.293-35.011-36.240-34.269-34.808-33.707-33.162-32.014-34.255-35.464-35.196-36.327-36.986-37.866-37.978-36.728-35.963-34.934-36.224-35.290-35.825-35.000-33.883-36.007-35.906-37.289-38.114-37.958-38.707-39.628-40.376-39.803-39.042-35.080-34.879-34.600-33.554-33.470-34.489-35.776-36.709-36.366-35.088-34.156-32.175	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	52.8342.8643.2242.6636.5946.0544.9853.0260.3664.5764.3768.5169.4361.4563.1457.8653.8253.5755.3354.0956.0652.0451.3247.3545.7246.7547.3646.0043.5543.3240.5638.6640.5936.0733.6933.4832.9637.8144.1745.6150.9652.7357.7954.5550.6925.8232.0028.0031.3236.5341.4144.3044.8545.1947.3446.3528.81	ONCCOCONCCCONCONCCCCCCONCCCCCONCCCONCCCCCCOCCCONCCCCCCCCC

原子	7050	O	PHE A	441	10.994	28.279	-31.186	1.00	28.87	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	705270537055705870597061706370657067706970707072707370757078708170847087709170927094709570977100710371047105710671077109711071127115711771217125712671287129713171347137714071417142714371457148715171547157716171627164716571677170	NCACBCGCD1CE1CZCE2CD2CONCACBCGCDCENZCONCACBCGCDOE1OE2CONCACBCGCD1CD2CONCACBCGCDCONCACBCGCDCENZCONCACBCG	PHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU APRO APRO APRO APRO APRO APRO APRO ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS A	442442442442442442442442442442442443443443443443443443443443444444444444444444444444444445445445445445445445445446446446446446446446447447447447447447447447447448448448448	10.54910.18711.14212.57713.32514.62515.22614.49813.1818.7688.1688.2527.0745.8734.6613.5522.3991.2977.3357.7347.1257.1927.0417.2907.1657.5586.6666.0764.9116.4175.4536.0676.3797.1155.1424.8455.4133.6693.1541.8671.4912.7794.1144.7084.1925.0455.2985.5905.5984.9483.4844.3413.2564.9374.3594.2983.414	30.29630.89832.04531.63531.54031.13830.81030.89831.30631.43531.56431.73932.55931.73732.63931.90032.84232.08733.62233.31134.87435.99637.31638.53039.84040.87539.82535.86935.66035.99035.70634.80033.34932.70132.49736.95838.04736.79837.89137.30236.24135.64238.17137.22439.43139.87141.38441.92743.45643.99643.65939.58640.08238.78738.54537.04336.248	-32.098-30.813-30.466-30.419-31.599-31.565-30.348-29.183-29.220-30.857-31.944-29.669-29.494-29.077-28.830-28.236-27.930-27.303-28.448-27.324-28.831-27.909-28.649-27.768-28.501-27.894-29.667-26.898-27.279-25.612-24.556-23.476-23.856-22.733-24.209-23.902-23.954-23.258-22.441-21.854-22.786-23.207-21.294-20.768-20.882-19.790-19.887-21.297-21.321-22.580-22.618-18.459-18.233-17.584-16.258-15.937-16.901	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	25.5728.1229.8428.6629.5127.0632.0329.4130.9630.2029.0127.9328.6032.3332.6928.5732.2420.6730.4726.2528.7728.2530.6128.6436.8830.7541.3029.5126.3022.0925.2021.7226.7025.9024.8525.1627.9824.3626.1526.7824.8023.6231.2627.1434.6242.4147.9055.8760.4962.6267.9040.1741.9139.3939.8640.2136.10	NCCCCCCCCCONCCCCCNCONCCCCOOCONCCCCCCONCCCCCONCCCCCNCONCCC

原子	7173	CD	LYS A	448	3.258	34.784	-16.530	1.00	37.13	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	717671797183718471867187718971917195719972007202720372057208721172127216721772197220722272257228723172347238723972417242724572467248724972517253725772617262726472657267727172727274727572777280728172827283728472867287728972927294	CENZCONCACBCG1CG2CONCACBCGSDCECONCACBCGCDCENZCONCACONCACBCG1CG2C0NCACBCONCACBCGOD1OD2CONCACBOGC	LYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL AMET AMET AMET AMET AMET AMET AMET AMET ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLY AGLY AGLY AGLY AVAL AVAL AVAL AVAL AVAL AVAL AVAL AALA AALA AALA AALA AALA AASP AASP AASP AASP AASP AASP AASP AASP ASER ASER ASER ASER ASER A	448448448448449449449449449449449450450450450450450450450451451451451451451451451451452452452452453453453453453453453454454454454454455455455455455455455455456456456456456	2.4662.3645.2226.4434.5935.3394.5045.3304.0605.8325.0347.1527.8128.7608.0239.00310.2088.5589.3808.2418.7288.0386.4935.8675.9445.21510.23910.79010.89412.33913.00614.21612.25212.84612.76212.40511.80912.21210.97913.05812.59713.24112.94614.11611.91112.02612.49912.36511.51113.11612.91614.12612.27812.92311.91610.72713.423	34.03732.55539.28539.38539.84840.45441.44041.95142.60139.30738.51239.22538.13037.43436.90535.77036.89738.69939.62538.15638.70438.02438.24538.36837.05735.90438.58137.48939.73039.80840.23340.47940.30540.72239.62038.24140.02142.05042.16743.05944.34645.49244.38544.48544.27544.21445.53645.55144.80246.29843.08243.24341.94940.79739.66240.11741.088	-17.610-17.418-15.248-15.434-14.215-13.116-12.283-11.084-13.151-12.240-11.730-12.109-11.426-12.388-13.594-14.555-15.229-10.240-10.387-9.067-7.805-6.605-6.598-5.188-4.383-4.993-7.745-7.879-7.617-7.541-8.829-8.839-9.929-11.210-12.365-11.811-13.480-11.622-11.706-11.822-12.314-11.557-13.788-14.163-14.611-16.065-16.673-18.194-18.731-18.853-16.551-16.704-16.821-17.429-17.492-18.107-18.844	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	36.8936.6444.5545.7744.7245.7146.8448.4548.7844.2346.4041.9643.3042.4140.5537.2836.6645.5641.8350.0755.5160.2063.5066.3768.3668.3055.7257.0656.4756.9359.2562.3658.7759.9759.2053.9255.1663.3762.1965.0067.6566.8568.4671.6270.0069.8771.2773.6273.5976.6067.0768.6263.9560.4961.1060.6357.46	CNCONCCCCCONCCCSCCONCCCCCNCONCCONCCCCCONCCCONCCCOOCONCCOC

原子	7295	O	SER A	456	14.350	40.420	-19.344	1.00	60.00	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	729772987301730273047305730773107313731673177318731973217324732673307334733573377338734073437344734673487349735173537355735673587359736173647367736873697372737373757376737873817382738473867387738973917393739473967397739974027403	NCACONCACBCGCDCONCACBCGCD1CD2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCDOE1NE2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1	GLY AGLY AGLY AGLY APRO APRO APRO APRO APRO APRO APRO ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATRP ATRP ATRP ATRP ATRP A	457457457457458458458458458458458459459459459459459459459460460460460460460460460460460460460461461461461461461461461461462462462462462462462462462462462462463463463463463	12.82212.99711.99211.25111.93811.02811.16912.06212.72011.44212.62910.47010.70110.11310.70210.11512.20210.1019.10610.70910.30511.33511.55812.41912.64511.97112.17711.08710.88710.11210.7339.2229.1327.6997.5486.1205.8655.1949.9639.85210.81911.48212.81413.59413.75614.46915.02215.72614.89214.17910.50410.3069.8748.8077.9556.7506.695	42.08842.31341.39340.68241.39840.47240.86642.05342.23839.01438.72038.13836.71936.27336.99236.50536.79635.88336.26934.72733.85833.89035.27536.15837.46437.88739.15737.02935.72432.43831.96831.76030.31729.87328.36527.88626.68228.80729.76030.24028.79028.03827.42326.66627.18726.47825.24824.50924.75525.44926.97725.94827.25026.40027.16926.44925.508	-19.484-20.921-21.590-20.895-22.931-23.634-25.113-25.151-23.843-23.406-23.457-23.114-22.901-21.555-20.327-19.029-20.297-24.021-24.645-24.262-25.353-26.480-27.027-26.387-26.884-28.022-28.500-28.672-28.185-24.903-23.954-25.588-25.517-25.715-25.726-25.870-25.909-25.978-26.631-27.767-26.329-27.366-26.871-27.948-29.230-30.206-29.891-30.817-28.623-27.676-27.856-27.234-28.988-29.472-30.495-30.965-31.961	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	50.7947.3342.0043.9936.6333.0234.8233.5136.1630.6229.5728.1627.4326.9228.5631.6726.9627.9524.8425.0524.3924.2623.8529.1728.4230.4229.4627.2224.1125.3724.0619.9123.6424.1724.0525.7829.8824.1425.8126.5021.7126.4931.8132.6138.8940.5637.1137.2532.5332.7027.0630.3530.0629.1632.4230.2836.58	NCCONCCCCCONCCCCCCONCCCCCCOCCCONCCCCONCONCCCCCCOCCCONCCCC

原子	7405	NE1	TRP A	463	5.394	25.087	-32.143	1.00	30.70	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	740774087409741174137415741774187420742174247425742774287430743374367439744174427445744874497451745274547456745874627463746574667468747174747475747674777478748074817483748674897492749574997502750475077509751175147516751775187519	CE2CD2CE3CZ3CH2CZ2CONCACONCACBCGCDNECZNH1NH2CONCACBOG1CG2CONCACBCGCDOE1OE2CONCACBCGCDCENZCO3C3C2O2C1O1S1C2N3C4	TRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP AGLY AGLY AGLY AGLY AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ATHR ATHR ATHR ATHR ATHR ATHR ATHR AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGOL WGOL WGOL WGOL WGOL WGOL WL01 XL01 XL01 XL01 X	4634634634634634634634634644644644644654654654654654654654654654654654664664664664664664664674674674674674674674674674684684684684684684684685505505505505505501111	4.5885.4054.8083.4482.6733.2229.3648.76810.52111.10311.17610.76511.70411.98413.02614.42015.25716.68417.66117.39218.92510.74810.8019.6508.4708.3068.0499.5517.1917.2356.0724.7094.4804.5754.8595.1794.7814.4475.0263.5843.2592.5151.1320.696-0.1890.5874.53528.09528.39028.62930.01928.14329.30617.39817.02417.89717.247	25.74626.60627.41227.31926.43725.64225.11124.06425.18424.02024.16625.18623.13123.14822.06722.40521.17821.43020.55119.33920.89122.95223.25322.43922.12520.59419.96919.97722.65123.28122.37622.61322.10620.59020.13318.94420.94424.07724.81724.51325.92826.41225.77225.71524.48523.22826.7309.0379.9499.3719.3098.0037.24920.06921.68222.63623.756	-31.256-30.492-29.519-29.335-30.094-31.052-30.065-29.910-30.717-31.368-32.879-33.440-33.530-34.976-35.312-34.850-34.515-34.735-34.496-34.005-34.745-35.874-37.076-35.320-36.139-36.344-35.078-36.996-35.515-34.454-36.194-35.707-34.280-34.133-32.706-32.551-31.742-35.751-34.960-36.669-36.777-35.520-35.336-33.879-33.593-33.380-36.995-0.2280.7822.1462.3892.3582.458-1.337-0.781-0.534-0.171	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	27.9626.6228.1728.3028.8030.6730.9230.0733.5134.3939.0829.6840.9245.8947.3455.5860.8166.9273.2974.5076.9147.0143.0647.8250.0449.9451.2249.3351.9248.8451.5555.7854.1856.0956.3356.1762.4059.4766.6160.5359.9560.3161.1261.3862.9661.8857.1139.0327.7931.1150.2630.1850.2629.0931.9628.1031.03	CCCCCCCONCCONCCCCNCNNCONCCOCCONCCCCOOCONCCCCCNCOCCOCOSCNC

原子	7520	N5	L01 X	1	15.940	23.507	-0.140	1.00	26.72	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	752175227523752475257526752775287529753075317532753375347535753875417544754775507553755675597562756575687571757475777580758375867589759275957598760176047607761076137616761976227625762876317634763776407643764676497652765576587661	N6H7C8C9C10C11C12C13H14H15H16H17H18H19OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	L01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	11111111111111234567891011121314151617181920212223242526272829303132333435363738394041424344	15.77514.95017.91019.26319.89519.17117.82817.19118.10519.82720.94219.66017.29616.14236.33534.36919.26029.37938.17332.63515.94311.58641.97729.26631.29035.30238.2418.56532.16340.65842.20313.34736.17140.8274.2708.51328.12024.97711.67326.76126.58038.57434.19238.02331.50328.32347.00214.8367.70929.6204.20138.50833.7129.59240.56030.81629.865	22.14221.65125.05125.22626.41827.45027.29226.09220.35624.43226.55028.37628.10025.97431.79419.35039.19540.15447.2995.73835.54437.60732.51717.75023.26443.87224.68724.93817.86127.5339.90817.46425.41224.04823.13714.18521.88330.44024.99917.2078.38829.70930.43123.33918.61521.70429.94439.39422.21325.08038.67437.82537.08228.00429.5778.65517.038	-0.523-0.6110.171-0.1090.1970.7851.0740.782-2.517-0.574-0.0281.0291.5401.0006.61724.9543.74510.427-6.8061.738-34.73015.429-3.211-9.131-4.081-0.710-2.137-25.08511.086-8.5221.24823.97922.704-0.5939.81813.60214.298-29.65622.109-5.513-7.304-6.152-11.4640.65813.5858.376-5.442-21.6439.815-17.647-30.471-3.0119.412-18.480-18.9895.19023.114	1.001.001.001.001.001.001.001.001.001.001.001.001.001.000.501.000.501.001.000.500.501.000.500.501.001.001.001.001.001.001.001.001.000.501.000.501.001.001.000.501.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	29.2229.2827.0526.3726.1828.0827.4833.1630.2126.5126.7727.3829.2429.857.8525.9012.3636.6520.4926.4127.4038.5433.1327.0715.9417.6125.9124.8917.5231.8120.5632.6432.1117.5431.0419.2922.0549.0230.747.3125.7232.8737.5617.9417.1019.9830.1630.1424.4933.5228.4219.5830.9321.5063.1841.8621.22	NHCCCCCCHHHHHHOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	7664	O	HOH W	46	39.959	17.664	-11.171	1.00	27.94	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	766776707673767676797682768576887691769476977700770377067709771277157718772177247727773077337736773977427745774877517754775777607763776677697772777577787781778477877790779377967799780278057808781178147817782078237826782978327835	OOOOOOOOOOOOOOOOOO0OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	4748495051525354555657585960616263646566676869707172737475767778798081828384858687888990919293949596979899100101102103	3.25530.56338.49242.53642.24814.95922.50543.01438.17110.25610.74827.59838.72131.2162.08232.24236.7288.68634.02830.0376.77521.46426.51127.30113.06620.5099.376-1.40129.84445.48523.6317.53423.82346.71927.06322.20436.33110.56733.17710.17813.083-0.4019.42342.64117.19522.52925.49613.55246.81629.35139.059O.25718.14336.2722.213-0.548-O.271	28.48421.18436.75517.16413.35814.00638.14716.46124.89619.41040.00532.56927.45621.74841.17712.0961262426.0314.55534.41315.86232.16916.47133.7099.85041.2476.57528.96520.53028.1212.47239.6689.06125.47617.89239.29540.60316.71614.56635.0079.32723.85332.36524.7393.56217.92837.77124.15519.6159.3739.24421.4988.41631.23920.42535.82333.076	-19.18213.200-0.246-9.826-15.196-25.580-27.3739.63813.129-29.142-30.99821.355-1.381-6.336-21.85416.78711.497-35.051-2.20014.23110.91930.26115.131-22.64820.321-20.426-16.62218.76710.559-12.444-8.508-21.569-18.188-1.41212.746-7.678-11.32121.51919.290-32.82916.479-30.45130.416-14.891-0.18812.28617.91425.9450.494-3.8857.262-35.881-20.708-5.373-18.572-19.55713.333	1.001.001.001.001.001.001.000.501.000.501.000.501.001.001.000.501.001.001.001.000.500.501.001.001.001.001.000.501.000.501.001.001.001.001.000.501.OO1.001.001.001.001.00O.501.001.001.001.001.001.001.001.O01.000.501.001.001.001.00	34.6018.7726.0530.6641.9927.1633.0115.3934.4632.0237.7643.4035.9930.0935.4221.6532.1836.7431.6427.4619.2825.4836.5945.5835.8341.6643.4734.4819.7214.9154.1229.4025.4652.2432.1929.6426.6834.2634.0341.6553.6935.3738.9345.6840.4728.3131.5334.9544.3419.9637.7132.8531.1727.0841.3240.1858.12	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	7838	O	HOH W	104	23.423	16.496	9.788	1.00	29.18	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	784178447847785078537856785978627865786878717874787778807883788678897892789578987901790479077910791379167919792279257928793179347937794079437946794979527955795879617964796779707973797679797982798579887991799479978000800380068009	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	105106107108109110111112113114115116117118119120121122123124125126127128129130131132133134135136137138139140141142143144145146147148149150151152153154155156157158159160161	15.01221.94626.0566.1444.30919.93725.67523.18028.07745.97339.2464.3552.17632.4188.94127.52118.90510.29026.7595.29635.92733.9595.2613.61941.24312.34727.98422.2727.74739.19114.40234.7937.7509.30514.61348.27539.29922.57221.0028.42917.02810.84735.53919.35236.0567.42134.34737.01839.80911.8921.32623.91630.25926.77226.30435.77525.712	37.44012.0518.74010.92831.1864.71020.71538.2516.15416.3959.86120.63132.1125.51742.62410.61339.34519.40712.18923.61838.53438.41616.17610.17042.3625.58624.00840.67325.77024.45440.40647.48839.0616.98427.07417.28723.69830.92740.68221.99219.68817.57132.29540.56130.04724.76521.30153.48027.35930.28629.5784.62519.98138.28215.7468.56412.114	22.868-24.308-16.70914.81424.313-12.634-0.292-13.861-6.043-3.9829.679-20.819-20.783-4.406-21.132-18.44318.113-0.040-22.94325.674-12.90611.662-31.902-14.733-12.5508.708-6.496-15.350-37.3643.135-28.282-15.790-23.815-12.01335.922-6.443-14.13635.577-26.912-32.406-29.0305.5503.94910.6771.880-12.983-13.454-7.9561.516-8.593-17.997-10.84025.070-22.076-12.186-14.6009.145	1.001.001.001.001.001.001.001.001.001.001.000.500.501.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.000.501.001.001.001.001.00	46.5141.5227.2669.6334.6031.4927.3433.0840.3432.5933.4524.4826.2436.3357.8833.4437.0735.9736.9151.2324.7061.2560.4454.3241.0369.7441.0739.5955.0340.4237.4259.4637.9046.1871.0828.8645.6154.6955.5541.9239.1933.5832.0635.2225.0832.4034.6532.9849.6264.2946.7527.0647.4359.3732.2553.5036.79	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8012	O	HOH W	162	28.381	19.330	15.188	1.00	30.83	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	801580188021802480278030803380368039804280458048805180548057806080638066806980728075807880818084808780908093809680998102810581088111811481178120812381268129813281358138814181448147815081538156815981628165816881718174817781808183	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	163164165166167168169170171172173174175176177178179180181182183184185186187188189190191192193194195196197198199200201202203204205206207208209210211212213214215216217218219	33.8732.96316.19323.03426.81729.71124.35824.57618.38325.0563.08728.32326.3038.08417.75714.59425.69540.6194.38437.2325.52736.98913.87931.55023.67528.28816.60339.8634.84738.7086.46827.49538.99525.95730.27112.8595.37916.3268.34427.091-4.4943.46337.01423.9408.39227.998-1.81232.67229.47833.1541.15415.85136.02715.35127.26628.47913.417	34.29125.30011.64820.91847.9686.52340.42631.01333.08720.88128.99948.97817.02241.5605.5335.85140.11824.13116.89650.61639.09934.67138.94642.22510.1896.6602.41133.44514.61435.2465.16218.32021.11535.7087.52939.93225.40811.87236.48950.20432.01533.34233.80919.36238.98612.87637.37520.32121.50015.01623.48121.9484.0995.22412.79316.10439.122	10.8206.60813.638-4.577-13.158-4.122-17.94630.10537.61331.701-24.63510.721-14.88911.466-14.0729.729-12.31411.489-18.929-14.43423.0720.23920.678-15.38623.294-1.176-5.478-13.339-18.202-4.884-8.404-13.297-14.260-22.280-15.051-32.892-11.619-26.192-32.253-13.98410.04823.23711.335-6.006-31.660-17.320-21.32823.244-2.551-9.262-16.355-30.5014.129-11.63727.015-8.37816.837	1.001.001.001.000.501.001.001.001.001.001.001.001.000.501.001.001.001.001.001.001.001.001.001.001.001.000.501.001.001.001.000.501.001.001.001.001.001.001.001.001.001.001.000.501.001.001.001.000.501.000.501.001.000.500.500.501.00	44.6836.3229.4140.6031.9928.6839.5650.3737.5734.3933.3960.6343.4723.9748.6359.5145.4949.2357.4343.9558.3337.9146.2043.1236.5343.8726.7739.5650.8135.4560.8019.6143.7651.4749.9854.1745.7761.3343.2257.7768.3143.5649.5321.8535.7740.1744.5729.7516.2627.2431.7342.1046.4925.6029.9623.8659.93	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8186	O	HOH W	220	33.299	24.118	17.997	1.00	44.89	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	818981928195819882018204820782108213821682198222822582288231823482378240824382468249825282558258826182648267827082738276827982828285828882918294829783008303830683098312831583188321832483278330833383368339834283458348835183548357	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	221222223224225226227228229230231232233234235236237238239240241242243244245246247248249250251252253254255256258259260261262263264265266267268269270271272273274275276277278	22.52123.42433.7676.34627.65228.41432.8584.00141.81031.0455.898-1.87641.8337.55326.145-1.89646.82527.9876.45211.28226.24931.4301.60045.54341.5977.04138.01049.5307.5417.13027.83714.41731.49432.46819.7207.6628.99648.06050.25914.2257.48843.60723.62148.85632.37444.3281.83524.574-2.56748.54149.74812.88056.84315.0759.25524.62733.326	41.55813.2875.03532.73112.09019.27810.35921.74725.12530.87218.83427.58732.05514.17542.3997.31913.94116.77622.7409.3603.87023.59413.47018.91947.49133.75337.17818.41318.70315.33647.8062.59517.94940.45642.63922.30643.28931.79131.18510.34616.52320.91310.75124.25644.55818.01719.79117.64021.19921.68628.74020.9978.40218.02719.5434.48018.249	-8.2139.7903.175-33.323-14.910-8.10613.2211.0701.559-31.030-19.48320.246-0.80615.657-13.825-2.14010.491-16.996-25.254-20.877-9.28216.264-12.619-1.587-15.241-6.883-12.470-3.11421.9185.301-14.772-6.085-21.242-16.846-18.070-13.544-23.649-14.736-13.28114.254-25.29216.6317.039-0.20214.952-13.224-3.380-3.83515.8510.43112.63931.69921.92028.940-27.77617.64315.323	1.000.500.500.501.000.501.000.501.001.000.500.501.000.501.001.000.501.001.001.001.001.001.001.001.001.001.000.501.001.000.500.501.001.001.001.001.001.000.501.001.001.001.001.001.001.001.000.501.001.000.331.000.501.000.501.001.00	64.3720.8027.7025.2437.5432.0840.1239.5052.3057.1825.6130.8369.8137.6459.0465.5727.7655.8953.3057.2158.1532.7460.4649.5053.6657.7761.9027.9953.9949.8739.8533.3849.2856.4455.4644.6056.2750.8835.1347.6655.8660.4240.2157.8460.2854.5567.5615.4261.9854.8538.5544.2038.8661.2938.1146.4161.70	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8360	O	HOH W	279	25.508	49.523	-11.655	1.00	54.10	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	836383668369837283758378838183848387839083938396839984028405840884118414841784208423842684298432843584388441844484478450845384568459846284658468847184748477848084838486848984928495849885018504850785108513851685198522852585288531	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	280281282283284285286287288289290291292293294295296297299300301302303304305306307308309310311312313314315316317318319320321322323324325326327328329330332333334335336337338	23.5186.82534.4896.4443.50745.6249.3722.68442.18041.71741.51420.46114.14211.8087.9549.00325.932-0.59225.93637.35917.64425.7430.89019.90619.38036.2755.39014.36157.72242.51810.39025.92617.60821.09330.49730.16526.68915.99930.2523.7983.65027.98424.00618.62447.37041.8793.07418.10518.52917.31136.6208.50342.31025.84034.55741.73746.870	16.26340.25720.56815.75616.76921.47719.83745.41925.07111.96239.89431.03543.07833.75826.03130.53819.97937.34116.26333.44339.92325.04021.01941.16324.44731.94920.57928.78211.87525.02938.16816.77635.7883.59632.95727.77543.49739.40551.22627.60012.77115.37332.6483.38828.13849.50639.05939.3432.0867.90532.55718.27321.60015.93144.33224.29221.022	15.31910.69027.59812.56214.78813.157-30.444-24.00715.29313.292-11.14330.221-28.54733.35432.73331.326-5.77718.42027.5332.243-15.45738.1148.342-15.580-36.390-2.027-38.427-42.02021.79212.766-36.084-31.569-33.423-14.559-23.275-23.31715.20215.989-15.0087.128-9.97426.33827.444-10.576-1.279-13.74413.4293.739-5.358-17.8087.875-1.6414.738-30.196-11.917-2.09210.056	1.000.501.000.501.001.000.501.001.001.001.000.501.001.001.000.500.501.001.001.001.001.001.001.001.001.001.001.001.001.001.000.500.501.001.001.001.001.001.001.001.001.001.001.001.001.001.000.500.501.000.500.501.000.501.000.500.50	52.9426.1944.7821.5961.6877.6136.9745.9259.1654.1545.6842.8345.5657.2244.1543.4429.8358.3652.2644.9039.0764.2659.0746.9259.6234.3547.0157.7048.2655.1765.1534.6135.6059.2650.7746.4055.6248.4639.4753.5755.7253.9565.2550.2061.6839.3048.7730.8437.0436.9518.4327.2152.0634.2330.3020.1234.32	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8534	O	HOH W	339	0.324	33.526	-20.903	1.00	51.49	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	853785408543854685498552855585588561856485678570857385768579858285858588859185948597860086038606860986128615861886218624862786308633863686398642864586488651865486578660866386668669867286758678868186848687869086938696869987028705	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	340341342343344345346347348349350351352353354355356357358359360361362363364365366367368369370371372374375376377378379380381382383384385386387388389390391392393394395396397	3.45328.60326.88239.40329.74911.7646.45228.27950.88732.11414.6969.27943.79623.97117.4534.17349.78716.8318.8018.32240.71317.00215.29017.1898.07226.39515.5141.99725.3817.4896.20258.37118.18820.55223.3781.32119.4259.28030.03619.62123.96421.01619.3536.9566.09518.0207.4994.36516.59548.45823.11739.89413.94316.53321.48326.83133.173	30.36520.8231.88230.14753.81020.75631.23018.63716.50412.90736.46942.24819.41931.91838.81523.63228.74336.47333.94840.25232.9165.5113.0677.44117.54031.63542.02331.62442.74033.90527.83416.08018.78629.8752.33415.95112.89913.36925.1829.1734.22247.0481.24319.31635.2287.97315.04727.89834.69913.3006.85630.18924.69929.17834.9155.38126.385	-20.854-4.001-8.0443.5664.33427.17130.596-10.59816.93217.835-34.622-9.860-16.713-34.100-33.0191.574-1.070-33.68332.104-20.958-4.01919.654-9.7089.7347.718-28.027-13.211-24.918-17.947-33.4127.66225.26433.21638.0033.437-17.628-26.0343.510-21.236-21.673-13.08411.168-7.5409.604-31.74611.98314.48228.220-33.5499.591-19.0578.8311.488-1.916-7.5298.974-21.312	0.500.501.001.001.001.001.000.501.000.500.501.001.001.001.000.500.330.500.501.000.501.000.501.001.000.501.001.001.000.501.001.001.001.001.001.001.001.001.000.500.500.501.001.000.501.000.501.000.500.501.001.001.001.000.501.001.00	31.5230.5670.8660.0767.3574.7653.6634.2667.7529.2659.1160.0467.2951.0555.3244.6556.5736.7537.9365.0630.3460.8330.1662.8748.7428.6568.6651.2261.1421.7045.0150.9055.7594.5648.4161.2047.2363.0643.6632.4131.2744.8245.6943.0727.7951.9131.9149.3724.9327.6643.7756.3833.5949.2517.1557.3851.76	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8708	O	HOH W	398	10.998	10.874	8.207	0.50	29.09	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	871187148717872087238726872987328735873887418744874787508753875687598762876587688771877487778780878387868789879287958798880188048807881088138816881988228825882888318834883788408843884688498852885588588861886488678870887388768879	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	399400401402403404405406407408409410411412414415416417418419420421422423424425426427428429430431432433434435436437438439440441442444445446447449450451452453454455456457458	27.06914.0594.66334.59539.24612.9187.24640.87715.25614.0044.80111.46321.56029.2235.55435.28522.44912.06417.6339.03214.85241.19743.29410.01519.77739.65522.85324.37538.6477.1837.58238.93320.5074.22628.8566.491-0.93812.11537.02132.20639.27616.38017.1031.9851.86926.3606.55326.29916.22219.11039.34521.5215.68643.25421.4078.67537.800	23.57634.93731.3768.49728.11423.14418.33125.77943.68925.28320.03029.5328.99941.24111.75442.63132.3917.28531.47441.36126.63229.81015.18916.02119.28632.95140.26214.34812.84716.28238.56526.4015.20219.52131.51516.85010.15143.91330.18022.62123.33938.69341.98830.64722.76832.24542.56532.1734.6326.93238.55948.66916.70322.00916.17832.96429.793	-4.17731.590-9.5989.6169.981-6.176-0.1349.221-19.146-4.896-18.697-3.007-22.45615.676-17.758-13.47531.435-18.384-7.978-13.151-7.068-22.0149.25124.072-37.304-2.289-20.05110.50615.230-30.219-18.52414.798-17.550-23.093-31.17810.169-4.4705.976-0.348-17.1765.379-11.605-2.41419.93917.431-32.15911.78529.75610.33119.09013.94810.30513.6406.92932.69427.91613.716	1.000.501.000.501.001.000.501.001.001.000.501.000.501.001.001.000.501.001.001.001.001.000.501.001.000.501.000.501.001.001.001.001.001.001.000.501.001.001.001.001.001.001.000.500.501.000.500.500.501.001.000.500.501.001.001.001.00	43.5331.4161.1629.0436.1032.9532.2753.7859.9837.2730.9047.3934.8358.9352.9951.4540.9658.9550.3459.3246.6878.3933.0561.7367.0533.4261.4432.9557.5377.2153.0263.3554.7657.3865.0928.2967.0952.2754.9060.6252.6344.8165.1042.9843.8264.6431.6131.8424.7955.7960.6942.9630.5062.5159.7665.6556.57	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8882	O	HOH W	459	13.547	38.105	1.119	1.00	51.90	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	888588888891889488978900890389068909891289158918892189248927893089338936893989428945894889518954895789608963896689698972897589788981898489878990899389968999900290059008901190149017902090239026902990329035903890419044904790509053	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	460461462463465466467468469470471472473474475476477478480481482483484485486487488489490491492493494495496497499500501502503504505506507508509510511512513514515516517518519	41.84018.85511.9635.8704.49518.1971.64347.80821.9309.24119.01223.58714.8853.79818.3607.20819.0901.95440.67731.60245.0907.55021.34712.35213.56834.16533.53543.24225.39616.3164.09427.12535.20826.47910.1229.78319.85640.89940.69716.43245.4696.23420.93944.44427.4467.76618.48147.09923.61025.54917.37931.44917.38229.25313.04422.62714.672	6.82032.37017.9349.86920.7945.75938.77721.20732.3034.52316.51751.6812.61224.04642.71931.11829.67134.16118.37136.60422.95241.34736.4543.05236.74112.6799.34530.624-0.04041.31919.30319.68212.88018.89811.65432.71342.57227.19324.31939.59522.45423.36710.66018.76440.74920.58914.57013.15334.1000.53119.66550.4264.06732.64143.40544.7903.988	8.07027.11126.4648.438-28.595-16.43521.1899.453-6.868-11.45932.929-0.856-7.800-27.855-7.914-7.639-6.933-4.534-13.66613.9638.359-25.594-6.986-18.24932.619-9.5577.915-17.448-7.0130.412-20.164-3.499-11.824-2.0526.40831.87613.08615.1537.2312.77210.851-28.299-23.79321.13617.415-26.84735.45513.29531.5803.36829.611-2.3614.15428.4383.45422.232-16.980	1.001.001.001.001.001.001.000.501.001.001.001.000.501.001.001.001.001.001.001.001.001.000.501.000.501.000.501.001.001.000.500.501.000.500.500.501.000.501.000.500.501.000.501.001.000.501.001.000.501.001.001.001.001.001.001.001.00	56.5448.1453.4863.8365.0760.5356.3846.3652.6959.4566.4275.2930.4949.7759.0753.3247.3470.6348.3348.7960.8835.8933.3861.2339.3026.7236.9170.4154.7565.2628.8346.2830.0330.9536.0234.6045.2339.8462.7748.5043.7467.8729.4958.6061.1640.5960.5675.7841.1669.2354.2066.0967.5661.0849.8366.5066.22	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	9056	O	HOH W	520	6.064	25.203	-5.889	1.00	53.69	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	90599062906590689071907490779080908390869089909290959098910191049107911091139116911991229125912891319134913791409143914691499152915591589161	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	521522523524525526527528529530531532533534535536537538540541542543544545546547548549551552553554555556557	2.32013.14244.87438.70341.1989.6811.7388.27619.39731.52214.77911.39826.54413.840-3.77524.6894.43315.15121.00429.37921.91424.4338.9868.41410.53234.32731.30916.81528.37734.50133.43839.23438.12130.16424.829	29.34310.46528.18633.65912.69731.46521.60413.21441.73938.68719.8176.27318.59636.99437.50318.85427.1635.57449.66116.68829.53128.37530.89124.11623.94425.90931.93428.8493.39815.42817.16215.14213.08019.10922.536	3.860-25.055-16.477-4.21820.117-8.291-0.56721.48217.01213.42629.460-16.57816.238-6.78417.05113.360-11.519-20.01016.058-15.062-6.204-6.781-0.426-6.410-7.549-13.468-20.746-3.769-2.682-12.352-12.681-11.798-10.709-18.827-3.109	1.001.001.000.501.001.001.001.001.000.501.000.500.501.001.001.000.501.001.000.501.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	57.4756.1258.8925.1657.1656.1660.0364.9072.0936.2663.7135.8430.5261.2167.7646.9229.4861.4379.6831.7334.6233.1149.2538.0343.2346.6159.3949.1658.2044.1740.7933.2430.8138.4543.99	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

CONECT 7516 7517 7529

CONECT 7517 7516 7521 7518 7518

CONECT 7518 7517 7517 7519

CONECT 7519 7518 7520 7520 7523

CONECT 7520 7519 7519 7521

CONECT 7521 7517 7520 7522

CONECT 7522 7521

CONECT 7523 7519 7528 7528 7524

CONECT 7524 7523 7525 7525 7530

CONECT 7525 7524 7524 7526 7531

CONECT 7526 7525 7527 7527 7532

CONECT 7527 7526 7526 7528 7533

CONECT 7528 7523 7523 7527 7534

CONECT 7529 7516

CONECT 7530 7524

CONECT 7531 7525

CONECT 7532 7526

CONECT 7533 7527

CONECT 7534 7528

END

表5

CRYST1  99.291  99.291   97.753  90.00  90.00 120.00 P 63

SCALE1    0.010071  0.005815  0.000000        0.00000

SCALE2    0.000000  0.011629  0.000000        0.00000

SCALE3    0.000000  0.000000  0.010230        0.00000

原子	1	N	MET A	1	62.955	12.934	22.467	1.00	43.20	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	247101115162021232627283132343537394145464849515457606162636568717477818284858790939495969799100102105	CACBCGSDCECONCACBCGOD1ND2CONCACBOG1CG2CONCACBCGCDCONCACBCGCDCENZCONCACBCGCDOE1OE2CONCACBCG	MET AMET AMET AMET AMET AMET AMET AASN AASN AASN AASN AASN AASN AASN AASN ATHR ATHR ATHR ATHR ATHR ATHR ATHR APRO APRO APRO APRO APRO APRO APRO ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU A	111111122222222333333344444445555555556666666667777	62.40161.80461.45561.65860.49561.33860.39161.48260.59961.14962.49762.88063.24659.20559.00658.23756.84056.00356.14656.45356.25855.42456.70156.16956.82158.06957.71654.64754.07954.00552.53752.07252.66051.77051.87752.52651.87952.57050.54049.67349.88748.84247.56547.34246.79049.75450.70548.73548.52647.28245.965	12.69111.28010.8549.0678.39013.72513.91414.40615.53116.38416.98517.06417.36015.07013.92215.96415.69315.45516.57314.19916.87717.61117.06518.14417.87217.16716.27718.09717.01119.26619.33820.36221.77722.82122.77823.99519.59519.71619.62719.84221.23922.28822.25423.22121.27118.74218.68517.88016.95116.06016.824	21.08620.97019.54719.20720.39520.77921.57119.64619.35618.21918.56319.75517.54219.04618.68119.25518.93120.21221.09120.93518.14618.67716.87616.02814.66314.99016.15015.91815.81315.94916.02517.09316.99217.70919.23919.82014.66013.63914.67413.49212.87213.30012.45111.69012.53712.41411.62712.39211.27611.49911.750	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	40.6742.1541.4841.7536.1040.1036.6335.3037.4737.2638.7336.1428.7342.8238.8548.2553.4154.2756.1655.2755.6451.1860.2062.6361.6662.3359.8864.5960.9270.9076.6278.5982.0084.1484.9184.5778.5475.7982.5884.6286.1687.2488.5888.7187.2583.3082.9581.7079.5680.0280.27	CCCSCCONCCCONCONCCOCCONCCCCCONCCCCCNCONCCCCOOCONCCC

原子	108	CD	GLU A	7	44.755	15.916	12.058	1.00	81.69	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	109110111112114115117120121123125127129131132134135137140143144145148149151152154157158159160161163164166169170172174175176178180182184185187188190193196199200201202204206	OE1OE2CONCACBCGCD1CE1CZCE2CD2CONCACBCGCDOE1NE2CONCACBCGOD1OD2CONCACBCGCD1NE1CE2CD2CE3CZ3CH2CZ2CONCACBCGCDCONCACBCG1	GLU AGLU AGLU AGLU APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AASP AASP AASP AASP AASP AASP AASP AASP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP APRO APRO APRO APRO APRO APRO APRO AILE AILE AILE AILE A	777788888888888999999999101010101010101011111111111111111111111111111212121212121213131313	44.32244.20548.39547.83148.96048.72349.64849.48849.05048.91349.20749.64749.78947.27346.77446.59445.20144.29244.55843.52443.18243.03044.83343.65245.80445.44746.34945.76044.51046.54945.44945.82645.00244.92544.58045.55545.39346.52347.43646.86047.59648.88649.43148.72443.84242.83044.05743.02143.54344.98545.29241.64340.65341.56340.25840.33638.954	15.14116.01517.75018.85717.20817.73717.09417.65916.85217.34818.66219.48918.98517.43416.35118.41518.24218.77918.21118.67117.92319.89718.89819.11219.21619.85021.05521.94922.10322.48218.85019.16917.64116.61415.31714.85714.78714.27114.00114.37814.22313.70213.34813.49116.91817.51316.49916.62615.79515.77415.91016.11516.66415.05214.57513.16012.479	11.17113.1849.9719.9678.8867.5386.4955.0904.0462.7522.4873.5144.8107.2067.5236.6206.2517.3748.7939.84410.7689.7044.9154.6544.0542.7672.4491.3531.2680.5651.6080.4741.8980.8891.5372.5093.8474.4233.4382.2241.0481.1322.3613.526-0.1380.187-1.382-2.358-3.536-3.388-1.948-1.896-2.306-1.107-0.6560.0220.052	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	79.8979.0577.9774.2374.4770.2770.8572.2372.7570.6271.8272.5272.3264.5457.3858.1357.2460.1459.9264.2567.3963.4449.6553.6141.6639.2940.9742.3141.8248.2434.4035.5326.4226.8224.5221.3420.7126.3222.2317.1123.0325.5425.9820.8521.4623.5821.6419.8120.8219.0920.2217.2520.1119.2017.8218.3518.02	OOCONCCCCCCCCCONCCCCONCONCCCOOCONCCCCNCCCCCCCONCCCCCONCCC

原子	209	CD1	ILE A	13	38.993	10.972	0.550	1.00	18.33	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	213217218220221223225229233234236237239242245248250251254257258260261263265268272276277279280282286287289290292296297299300302305306308310312314315317318320323325329333334	CG2CONCACBCG1CG2CONCACBCGCDNECZNH1NH2CONCACBCG1CD1CG2CONCACBCONCACBCONCACBCGND1CE1NE2CD2CONCACBCGCD1CD2CO	ILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AILE AILE AILE AILE AILE AILE AILE AILE AALA AALA AALA AALA AALA AALA AALA AALA AALA AALA AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU A	131313141414141414141515151515151515151515161616161616161617171717171818181818191919191919191919192020202020202020	41.03239.54038.32740.31039.78740.84840.34441.22339.29838.21640.11039.68640.77542.04743.14044.22045.05546.00044.94538.41937.57338.29437.05937.20738.14338.64435.85135.89434.81036.12435.06835.54034.54133.40735.33134.81135.92133.61732.77633.55432.51033.01134.01933.68634.75735.76835.32731.24430.25731.27630.17230.61230.96231.62729.69929.67930.442	13.17915.61615.74516.34317.36817.86319.13316.74618.53919.07518.96120.02020.38320.95121.00321.88122.52723.32522.40419.66820.52118.42317.97416.53216.55015.16515.93318.09018.54017.68117.62316.90018.99719.08820.05821.41322.50121.68422.51021.02621.28020.95821.93622.98623.73923.20922.08920.48620.65319.66218.75917.33417.04215.63717.13918.84119.151	1.3930.2180.1711.0041.8802.8813.5713.8941.0361.2690.080-0.841-1.844-1.221-2.294-1.882-2.702-2.189-4.019-1.594-1.810-2.021-2.644-3.197-4.422-4.958-3.559-1.672-2.028-0.4310.5701.8170.9311.3560.7420.8870.665-0.0150.314-1.160-2.160-3.583-4.079-4.909-5.112-4.451-3.781-1.917-2.658-0.879-0.519-0.834-2.290-2.389-3.1590.9251.844	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	15.3711.7716.7517.7215.8518.1516.8021.3916.4115.2513.9220.2117.2619.8126.0340.0947.1743.9545.0514.8117.6117.1314.7719.0220.5312.5615.8417.3218.8419.5817.3213.6818.3517.2517.5317.7418.3417.1817.7316.3718.3517.9317.9424.3918.7717.4717.5020.2219.4617.8814.0916.1716.6317.2918.2617.4217.86	CCONCCCCCONCCCCNCNNCONCCCCCCONCCCONCCCONCCCNCNCCONCCCCCCO

原子	336	N	PRO A	21	28.370	18.559	1.144	1.00	17.09	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	337339342345348349350351353356357358359360362363365368370374378379381382384386389393397398400401403405409413414416417419422423425427428430432434435437438441442444445447450	CACBCGCDCONCACBCGOD1OD2CONCACBCGCD1CD2CONCACBCG1CD1CG2CONCACBCG1CG2CONCACBCGCD1CE1CZOHCE2CD2CONCACONCACBCG	PRO APRO APRO APRO APRO APRO AASP AASP AASP AASP AASP AASP AASP AASP ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AGLY AGLY AGLY AGLY AHIS AHIS AHIS AHIS A	212121212121222222222222222223232323232323232424242424242424252525252525252626262626262626262626262727272728282828	27.88726.33626.08127.31128.32028.65528.22928.42228.28429.31930.34829.12427.43227.74726.22525.22924.06822.84422.11521.89325.81825.44826.76327.39527.53626.14725.17728.39128.72328.98129.56430.89131.65132.95731.89230.92831.78529.99329.89129.77731.03831.06432.23133.40234.56233.40032.21228.70928.31228.19426.98427.01626.02328.11128.14928.60727.671	18.48618.49217.92618.27317.19216.21617.18115.96816.29217.26717.37417.89914.85213.66015.25514.35415.19214.39413.85315.21813.47012.30514.01913.25414.06214.44613.24813.30412.71111.52613.55313.12514.27913.74315.39911.85510.97311.80410.74711.34712.06013.41814.09313.38914.07812.01111.3589.8329.0779.8589.1487.6336.9437.0945.6504.8304.891	2.4942.3271.0110.1543.1812.5404.4905.2736.7637.2356.5478.2994.9115.0384.5183.9373.3572.9294.1872.0452.8482.7232.0681.039-0.268-0.810-1.149-1.3491.5191.3462.1222.5293.2293.8542.1993.4263.2314.3785.3426.7497.1537.3007.6337.8268.1587.6967.3515.0475.9163.8113.4583.3143.6532.8082.4583.6924.872	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	18.6020.0818.0418.1215.8818.3317.2117.4118.4021.0917.4117.1620.3518.3921.5517.9816.5121.5222.9620.6723.2921.3319.6117.5517.4417.3821.1418.3921.7819.7516.6618.6718.1117.4615.1918.5019.0124.0823.0826.0218.7725.3625.1127.7028.2025.5821.5229.9831.1626.0632.5337.9840.4337.3147.6051.1855.65	CCCCCONCCCOOCONCCCCCCONCCCCCCONCCCCCONCCCCCCOCCCONCCONCCC

原子	451	ND1	HIS A	28	26.787	3.875	5.179	1.00	59.19	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	453455457459460462463465468469471473475477479480482483485488490491493494496499502505506507508510513516517518519520522523525528531534536537540543544546547549552555558559560	CE1NE2CD2CONCACBCGCD1CE1CZCE2CD2CONCACBOGCONCACBCGCDCONCACBCGCDOE1OE2CONCACBCGCDNECZNH1NH2CONCACBCGCDCON	HIS AHIS AHIS AHIS AHIS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ASER ASER ASER ASER ASER ASER APRO APRO APRO APRO APRO APRO APRO AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG APRO APRO APRO APRO APRO APRO APRO APHE A	282828282829292929292929292929293030303030303131313131313132323232323232323233333333333333333333333434343434343435	26.52727.50826.85126.14526.56825.34124.66424.70324.33924.37724.76625.11725.08225.57226.66024.49324.48123.08922.86024.86124.68925.36625.87426.62325.89725.49524.77525.02023.57322.51521.26020.39120.69320.28721.33322.13922.17021.81221.23122.17223.55023.46624.69324.94824.08326.07619.87119.80818.78118.73617.32316.50817.42818.88818.60019.337	4.1935.3765.8305.0304.2865.2954.7915.8417.2317.5308.8269.8349.5558.2593.6003.4112.8481.7391.1010.2552.2443.4351.3461.7850.550-0.598-0.1152.1963.0191.6451.8801.0311.4640.6991.172-0.3763.3624.1383.7215.0045.7996.0977.1427.2816.6005.7156.7954.7213.9845.3176.2746.8485.7115.0145.5724.3786.318	6.2716.6905.8401.8372.5090.550-0.120-1.027-0.5130.7791.2450.421-0.882-1.348-1.038-1.581-1.262-2.213-2.275-1.159-3.589-3.885-4.446-5.749-6.256-5.644-4.269-6.736-7.609-6.585-7.550-7.242-6.038-4.757-3.668-4.843-7.717-6.776-8.951-9.275-10.201-9.575-8.462-7.673-6.552-6.088-5.888-9.926-10.910-9.399-8.302-8.404-8.929-9.905-6.971-6.878-5.965	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	59.9557.9457.1648.3752.8949.0545.4945.8941.1938.8239.1535.4235.3842.2948.8148.3953.1257.6560.3567.4057.8361.4258.7257.4359.0861.0960.6156.0257.7753.9753.4956.8359.5461.8754.5568.1449.4047.2342.9041.7136.3637.2537.0939.2740.3540.3942.5140.5242.4737.3234.7938.8835.8638.5438.0233.1336.90	CNCCONCCCCCCCCCONCCOCONCCCCCONCCCCOOCONCCCCNCNNCONCCCCCON

原子	561	CA	PHE A	35	19.323	5.887	-4.573	1.00	36.69	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	563566567569571573575577578580581583586589590594595597598600603604605606607609610612615616618620621623625627628630631633636637639641643645647648650651653656657658659660662	CBCGCD1CE1CZCE2CD2CONCACBCGSDCECONCACBCGOD1OD2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1CE1CZCE2CD2CONCACBCGOD1OD2CON	PHE APHE APHE APHE APHE APHE APHE APHE APHE AMET AMET AMET AMET AMET AMET AMET AMET AASP AASP AASP AASP AASP AASP AASP AASP ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP AGLY A	353535353535353535363636363636363637373737373737373838383838383838383838383939393939393939393939404040404040404041	20.74120.80720.59420.65920.92721.14421.08318.49018.62717.62516.74015.27814.97714.64415.86016.92417.03517.00117.08318.50218.80218.08119.78016.06615.55215.74714.64313.38013.02713.50413.20712.41412.10611.93112.24715.05115.74514.65615.00716.52117.09917.02917.56918.18718.26817.71614.21113.32014.54013.87313.08211.78310.72411.84114.93816.07814.571	5.8385.6894.4504.3075.4196.6636.7916.8778.0886.3647.2137.0367.5256.2604.9806.8675.7067.8847.7238.0517.5736.7008.0938.6599.5618.4389.1368.2467.7186.4776.0066.7706.3048.0098.4769.5068.75910.68511.11411.40012.29713.68314.49613.93512.56111.74712.31812.72912.87314.02313.64712.89213.52211.70315.04314.70116.303	-4.020-2.511-1.911-0.5250.276-0.317-1.701-3.754-3.909-2.892-2.098-2.527-3.965-5.256-4.921-0.638-0.3000.2121.6692.1393.5614.0954.1392.3061.6493.5774.2334.2352.8472.4021.1270.279-0.9780.6961.9685.6496.3036.1037.4367.5976.5416.6585.6834.5734.4395.4247.7977.0698.9469.45510.71910.38810.44010.0119.74710.0299.631	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	37.0438.3941.0945.2042.6539.1338.4537.3234.0636.4739.2144.3649.3263.2464.0237.7141.2939.4038.7343.9248.7350.3551.2236.7634.6337.3837.0340.3743.4542.3943.4347.4649.9948.2345.0235.3133.6830.2328.6629.8926.4423.7120.7422.8128.2927.1527.4829.4727.2828.9932.5332.9143.5241.1127.9323.3524.10	CCCCCCCCONCCCSCCONCCCOOCONCCCCCCOCCCONCCCCCCCCCONCCCOOCON

原子	663	CA	GLY A	41	15.495	17.341	9.980	1.00	26.34	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	666667669670672674678682683685686688691693697701702704705707710713714718719721722724727728730732734736738739741742744746750754755757758760763764765766767769770772774777781	CONCACBCG1CG2CONCACBCGCD1CD2CONCACBCGSDCECONCACBCGCD1CE1CZCE2CD2CONCACBCG1CG2CONCACBCGOD1OD2CONCACBCG1CD1CG2	GLY AGLY AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AMET AMET AMET AMET AMET AMET AMET AMET APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASP AASP AASP AASP AASP AASP AASP AASP AILE AILE AILE AILE AILE AILE A	414142424242424242434343434343434344444444444444444545454545454545454545464646464646464747474747474747484848484848	14.83013.61915.63915.26515.56215.12514.88316.09817.33215.43016.03315.26215.39914.37216.81216.01315.06017.09417.24418.35918.72120.24719.76917.58918.55116.78017.02215.85815.99717.19517.27916.16014.98714.90917.23516.32618.48218.98720.33720.67420.33719.30019.93818.88319.07217.72217.82316.78418.91319.63319.19520.62921.05022.53723.48523.13022.761	18.68018.80519.68521.07121.84523.28221.17621.69121.49022.48723.12122.74621.30420.99221.09024.61825.15425.27226.70527.11028.57929.04428.99327.10826.57227.99728.54428.23128.71529.21129.65429.58529.07228.63030.00730.70730.43331.78331.76233.14730.76832.47631.88633.73134.50434.64235.13935.11535.53935.88636.49936.35937.75537.99837.67036.43939.461	9.9649.71910.24510.09411.37911.23412.5718.9788.8988.1557.0115.7515.2664.2374.6897.2367.7966.8266.8577.7867.6768.47210.1985.4544.8764.8913.5532.6501.2300.714-0.606-1.423-0.9320.3913.7644.1893.5363.7854.5144.9995.6432.4651.6102.3261.0940.405-1.028-1.713-1.4811.4402.4110.6920.8220.4281.5822.3410.091	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	26.1525.5226.6022.6725.0323.9528.9027.8222.2626.6123.6223.5623.2321.9422.5927.0626.7324.5322.6126.4929.0030.2425.0426.8223.0223.6823.3629.6135.1742.0443.7840.4242.2236.1923.3425.7925.6030.6030.9631.4130.2634.7330.9238.8943.7845.5750.8453.7256.3647.6443.1753.7661.1262.4661.7664.4861.58	CONCCCCCONCCCCCCONCCCSCCONCCCCCCCCCONCCCCCONCCCOOCONCCCCC

原子	785	C	ILE A	48	20.112	38.590	-0.055	1.00	67.02	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	786788789791794796797799800803804806807809812813815817819821823824826827829831833837838840841843847848850851853856859860864865867868870872874878879881882884887890891892893	ONCACBOGCONCACONCACBCGCD1CE1CZCE2CD2CONCACBOG1CG2CONCACBCONCACBCGSDCECONCACBOG1CG2CONCACBCGCDOE1OE2C	ILE ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ATHR ATHR ATHR ATHR ATHR ATHR ATHR AALA AALA AALA AALA AALA AMET AMET AMET AMET AMET AMET AMET AMET ATHR ATHR ATHR ATHR ATHR ATHR ATHR AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU A	484949494949495050505051515151515151515151515252525252525253535353535454545454545454555555555555555656565656565656	19.29520.22119.39817.89817.55119.66219.25520.33320.96822.13822.42622.78923.99324.96725.89827.23028.09227.63526.31625.45323.68724.54522.46821.94320.71520.64719.40821.55421.42621.35021.07920.59722.31222.21423.47124.71725.86125.69327.11927.12325.12525.08525.48426.04825.24725.17525.91726.20927.29825.13125.16423.73122.77123.23023.34323.48126.000	39.36438.40039.10238.79037.64640.62141.24741.20642.51242.40943.35341.24340.98740.09140.85440.48541.18742.27942.66941.96440.38140.37439.86939.52438.58137.74839.38140.80640.80241.89243.19644.18243.75144.23543.66044.22744.04944.83844.68542.92443.61144.28742.32741.59740.29139.48639.48042.39442.43543.00843.71343.96642.73441.57740.42041.83345.021	0.451-1.366-2.375-2.212-2.978-2.489-3.483-1.491-1.650-2.621-3.368-2.627-3.437-2.664-1.758-1.654-0.837-0.124-0.226-1.038-4.803-5.691-4.961-6.275-6.176-7.341-6.032-7.022-8.244-6.279-6.877-5.815-7.592-8.719-6.939-7.474-6.477-5.202-4.111-3.799-8.811-9.837-8.786-9.939-10.235-9.051-11.330-11.247-11.818-11.727-13.018-13.546-13.509-14.396-13.896-15.602-12.948	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	68.0074.4581.4280.5579.0587.0889.5991.7995.5299.46100.38103.84106.72108.40110.58111.75112.34112.13111.75111.45106.89106.81106.54106.28107.49108.13107.87104.44104.88102.04100.99100.9299.0395.8198.3395.8796.9398.21102.17100.0191.8791.8385.8881.6981.1581.1978.1178.6277.4075.5073.8674.3772.9273.7162.8574.8071.76	ONCCOCONCCONCCCCCCCCCONCCOCCONCCCONCCCSCCONCCOCCONCCCCOOC

原子	894	O	GLU A	56	26.635	45.412	-13.934	1.00	71.04	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	8968978999029059089119159169189199219249259279299319339359369389399419449469479499509529559579589609619639679689709719739769799809849859879889909939949969989991001100310051006	NCACBCGCDCENZCONCACBCGCD1CE1CZCE2CD2CONCACBOGCONCACBOGCONCACBCONCACBCGSDCECONCACBCGCD1CE1CZOHCE2CD2CO	LYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ASER ASER ASER ASER ASER ASER ASER ASER ASER ASER ASER ASER AALA AALA AALA AALA AALA AMET AMET AMET AMET AMET AMET AMET AMET ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR A	575757575757575757585858585858585858585859595959595960606060606061616161616262626262626262636363636363636363636363	26.01826.88226.53227.18526.84927.85127.68628.38029.23428.70630.09730.31130.42329.41829.52030.63831.64831.54030.55831.75929.61529.96028.80728.63530.37631.01530.04130.35629.54430.14831.85932.69132.17833.55033.59334.20335.40933.39933.90432.75631.98930.68131.56334.92635.99334.60735.42334.54033.64632.33431.52932.05531.27233.37734.15936.64237.458	45.67146.83947.54446.93347.71647.43448.34646.47747.30245.26044.80043.55843.86443.48943.76744.42944.81644.52844.54644.45444.43644.38443.81442.42245.75645.82446.83048.19649.20349.47648.57547.96049.61950.07751.18750.59750.79250.88551.27251.37652.66852.75452.34950.27350.65148.99647.93346.71647.07447.51747.91347.90048.27747.50447.10847.61546.713	-11.783-11.555-10.234-8.993-7.738-6.622-5.44311.548-11.924-11.108-11.144-10.263-8.790-7.909-6.529-6.018-6.887-8.274-12.585-12.843-13.521-14.954-15.787-15.557-15.517-16.582-14.791-15.217-14.401-13.155-15.183-14.473-15.949-16.142-17.242-14.860-14.830-13.839-12.527-11.532-11.636-10.396-8.882-11.995-11.494-12.149-11.550-11.224-10.054-10.259-9.185-7.903-6.830-7.686-8.754-12.404-12.081	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	67.0766.9868.4071.2973.4975.7375.2964.3263.5657.0252.9050.3149.6149.6451.1746.6945.9949.4151.5448.3654.4859.9062.7164.4861.9162.3359.8056.4855.9354.9156.6856.4950.3449.6448.9044.2343.0243.3447.1450.4259.6170.1967.5143.0339.3038.2442.9743.6550.1452.6554.4556.2564.3754.1549.2740.1736.74	NCCCCCNCONCCCCCCCCCONCCOCONCCOCONCCCONCCCSCCONCCCCCCOCCCO

原子	1008	N	MET A	64	36.777	48.417	-13.465	1.00	40.24	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	100910111014101710181022102310251026102810311032103310341035103710381040104310461049105110521055105810591061106210651066106810691071107510761078107910811084108710881089109010911093109410961099110211031104110711081110111111131116	CACBCGSDCECONCACBCGOD1OD2CONCACBCGCDNECZNH1NH2CONCACONCACBCONCACBCGCDOE1OE2CONCACBCGCDOE1NE2CONCACBCG	MET AMET AMET AMET AMET AMET AMET AASP AASP AASP AASP AASP AASP AASP AASP AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AGLY AGLY AGLY AGLY AALA AALA AALA AALA AALA AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALEU ALEU ALEU ALEU A	646464646464646565656565656565666666666666666666666667676767686868686869696969696969696970707070707070707071717171	37.86639.18139.12540.13739.27737.75936.66438.79538.56439.61739.21139.59838.51738.51338.76438.17438.24039.26640.68741.70341.73841.22540.63241.28636.88236.76035.83834.49734.23233.67434.59334.32834.72735.09434.56936.36337.21938.61539.29838.95738.15139.50736.68736.61136.24735.65535.42336.69936.77237.25036.30934.32834.05433.49432.21131.43730.028	48.32248.77850.31451.16850.86546.88746.48246.08044.71944.36844.80644.09545.84143.67542.49744.11443.24243.80843.72244.08343.12243.31244.45942.32143.03942.71143.21843.08341.73741.67940.66639.32338.32639.07238.50439.47639.35639.82638.92439.16640.07038.41640.08739.54241.31742.10143.51644.30445.50746.58245.33641.54241.54941.08740.44340.05439.475	-14.404-13.734-13.473-12.203-10.652-14.923-15.371-14.890-15.423-16.475-17.883-18.853-18.030-14.301-14.553-13.082-11.893-10.901-11.456-10.429-9.342-8.143-7.792-7.281-11.239-10.059-12.025-11.527-10.873-9.784-11.562-11.075-12.104-9.783-8.844-9.775-8.600-8.950-9.944-11.389-11.718-12.221-7.396-6.304-7.605-6.544-7.066-7.213-6.285-6.679-5.063-6.046-4.835-6.983-6.660-7.938-7.719	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	38.0840.3736.8338.3935.5640.1042.9537.9840.7546.1154.3462.3549.9135.0635.2724.0823.0222.3622.8123.7821.0916.3421.9319.8617.5116.1822.4023.1820.0220.4721.0119.9317.1419.8418.5217.2217.3620.3416.3122.9926.5626.9616.6717.5017.8320.0025.1523.7329.3530.5224.1623.8221.1222.4820.5122.8727.53	CCCSCCONCCCOOCONCCCCNCNNCONCCONCCCONCCCCOOCONCCCCONCONCCC

原子	1118	CD1	LEU A	71	29.200	40.420	-6.789	1.00	32.79	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	112211261127112911301132113411381142114311451146114811511154115511561157115811601161116311651168117211761177117911801182118511871191119511961198119912011204120512061209121012121213121512181219122112231224122612281230123112331234	CD2CONCACBCG1CG2CONCACBCGCDOE1OE2CONCACBCG1CD1CG2CONCACBCGCD1CD2CONCACBCGOD1ND2CONCACBCGCD1CE1CZOHCE2CD2CONCA	LEU ALEU ALEU AVAL AVAL AVAL AVAL AVAL AVAL AVAL AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AASN AASN AASN AASN AASN AASN AASN AASN ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AHIS AHIS A	717171727272727272727373737373737373737474747474747474757575757575757576767676767676767777777777777777777777777878	29.26032.38731.74733.24433.43834.23835.67734.08234.03033.63934.89735.47036.57637.18738.31439.09538.39034.45334.43733.61132.62032.05331.39232.20731.10531.51531.10031.10730.10929.72028.69727.40128.37730.63429.97831.83732.41233.64833.29834.16332.03332.72232.69932.94933.18633.51133.67334.54934.69733.96634.10233.09532.94531.94232.00230.81429.523	39.21439.21539.09138.29737.08036.00636.35634.65037.38336.77838.40338.80439.85240.36641.36441.58941.92439.30038.85840.23540.79342.14442.94943.07741.92939.78839.68238.99337.96637.29136.16336.61835.66936.96236.69236.45135.46634.77533.81133.35033.51536.00635.24637.31137.92639.42640.16439.71740.38841.52642.17841.98641.30337.76537.37838.08137.981	-9.028-5.771-4.725-6.190-5.420-6.157-6.258-5.396-4.072-3.071-4.005-2.722-2.933-1.659-1.889-0.947-3.000-1.715-0.542-2.133-1.221-1.760-0.6380.634-2.964-0.8730.274-1.849-1.612-2.918-2.839-2.074-4.257-0.6140.386-0.8500.067-0.532-1.635-2.396-1.7531.4492.4171.5612.8562.6893.9894.9496.1516.3907.5805.4524.2563.7174.8903.1053.756	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	24.3914.0617.7414.1818.7822.3419.3523.9518.3218.8520.1419.0218.1716.9416.1415.5818.7719.9718.4217.7318.2820.2025.1621.0924.0020.7520.2020.4123.6021.4433.0236.2433.2920.4025.4920.3818.9721.8123.2926.6814.5018.9116.6121.4322.2625.0724.3226.5131.0728.9030.8326.5925.5921.8223.0220.0519.97	CCONCCCCCONCCCCOOCONCCCCCCONCCCCCCONCCCONCONCCCCCCOCCCONC

原子	1236	CB	HIS A	78	28.522	38.874	3.034	1.00	21.40	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	123912401242124412461248124912511252125412561259126312671268127012711273127612781279128112821284128812891291129212941296129913031307130813101311131313151319132313241326132713291332133513361337133813391341134213441347135013531356	CGND1CE1NE2CD2CONCACBCG1CD1CG2CONCACBOGCONCACBCONCACBCG1CD1CG2CONCACBCG1CG2CONCACBCGCDOE1OE2CONCACBCGCDCENZ	HIS AHIS AHIS AHIS AHIS AHIS AHIS AILE AILE AILE AILE AILE AILE AILE AILE ASER ASER ASER ASER ASER ASER AALA AALA AALA AALA AALA AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALYS ALYS ALYS ALYS ALYS ALYS ALYS A	787878787878787979797979797979808080808080818181818182828282828282828383838383838384848484848484848485858585858585	28.78629.11729.33229.23028.90628.99928.57129.06228.58628.61327.57027.54328.36629.40028.86030.70531.58133.01133.63331.14331.23030.70730.18529.89628.93528.74428.06026.83125.90625.47324.70624.64427.17326.64228.08428.58129.56230.16228.80429.16528.77430.04430.62431.69832.93234.13734.02935.19729.54529.61128.55927.42226.39726.82126.52827.24427.370	40.31341.20842.38942.27740.98436.58136.19135.80934.43533.80434.45833.82932.28433.57532.74133.78733.08933.61932.97033.23132.27834.42534.68336.23233.86433.30733.79733.04033.23534.69134.92732.35131.53730.82631.07729.71529.40927.97829.56829.36228.34630.18429.82630.80830.77831.37231.73031.46629.72828.83230.62630.54831.63332.95733.11834.32634.201	3.2902.2932.8344.1474.4583.8924.9792.8172.8621.4720.586-0.7711.5363.8454.5533.8854.8324.7333.6736.2717.0416.6367.9808.1798.2449.3337.2497.4126.2516.1274.8226.3917.5608.4346.7146.7815.6295.7734.3048.1538.7168.72310.00610.5029.71510.43811.6499.76511.06311.92411.00711.96511.72012.22113.70414.28015.770	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	24.5525.9821.8632.4929.2418.1420.4415.1316.4823.1428.5435.1129.3717.7020.1018.4821.5016.3130.4220.2921.6120.6223.5120.8319.8321.6720.0618.0818.8418.7517.3317.6721.4221.3620.9120.4223.6420.7720.2820.3819.1419.7026.3226.3335.9740.5137.6539.6125.4625.3921.7825.3926.4032.9337.2137.2841.86	CNCNCCONCCCCCCONCCOCONCCCONCCCCCCONCCCCCONCCCCOOCONCCCCCN

原子	1360	C	LYS A	85	26.696	29.223	11.903	1.00	23.25	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	136113631364136613681372137613771379138013821385138713911395139613981399140114031406141014141415141714181420142314241426142814301432143414351437143814411442144414451448144914511452145414571458145914601461146314641466146814711475	ONCACBCG1CG2CONCACBCGCD1CD2CONCACBCG1CD1CG2CONCACBCGCD1CE1CZCE2CD2CONCACONCACONCACBCGOD1OD2CONCACBCG1CD1CG2	LYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AILE AILE AILE AILE AILE AILE AILE AILE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLY AGLY AGLY AGLY AGLY AGLY AGLY AGLY AASP AASP AASP AASP AASP AASP AASP AASP AILE AILE AILE AILE AILE AILE A	858686868686868687878787878787878888888888888888898989898989898989898990909090919191919292929292929292939393939393	26.47326.29925.58925.27124.85724.20826.40125.88527.68228.52729.87829.84931.30829.25528.75128.70728.98829.15729.61931.09631.52129.46627.87827.95226.71725.44024.30724.24325.22525.17224.14123.18323.23725.09824.01526.00525.91725.18424.82224.94824.23425.19726.42424.61325.29224.87625.73425.33626.81524.82923.62525.74825.33826.29826.15827.43225.948	28.58628.83527.59627.40725.96428.44726.41925.56626.38725.25225.37425.28625.46023.93525.16524.06826.31226.37227.74627.93829.42927.93725.97325.38426.31225.88026.85428.05929.02730.12530.24929.28928.18324.45723.97523.79922.36521.95320.79022.89922.59722.07322.21221.47420.97519.51818.81217.71919.31721.81921.82822.53623.32024.48825.57126.01625.057	12.92010.69710.4818.9848.6658.54710.98811.67910.65411.01810.3378.8318.2868.45112.51613.09613.13414.59815.01814.64414.63816.53815.36816.45414.81215.37114.99115.87415.80616.61817.56017.66516.83914.96515.29414.22613.97612.72912.57111.82710.6079.5419.6528.5187.3407.0856.0035.5805.6006.1715.8515.5244.3524.0285.1155.6952.637	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	22.7321.3419.7922.4819.9323.1919.8020.7115.7519.9416.5518.4113.3614.2817.6420.4619.9121.4326.5326.9632.9236.9118.1122.1118.2521.9721.9924.5621.5723.8926.1822.7526.5323.0322.5021.5020.3720.1820.5120.9118.1518.4421.1118.9921.3119.0719.9715.2717.6523.2319.9018.9018.8221.7028.1932.3417.07	ONCCCCCONCCCCCCONCCCCCCONCCCCCCCCCONCCONCCONCCCOOCONCCCCC

原子	1479	C	ILE A	93	25.236	22.368	3.203	1.00	18.05	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	148014821483148514881490149414981499150115021504150715101513151615201521152315241526152915301532153415361538154015411543154415461550155115531554155715581560156115631566156715681569157015721573157515791580158215831585158815901594	ONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCGCD1CE1CZCE2CD2CONCACBCONCACONCACBCGOD1OD2CONCACBCONCACBCGCD1CD2	ILE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AALA AALA AALA AALA AALA AGLY AGLY AGLY AGLY AASP AASP AASP AASP AASP AASP AASP AASP AALA AALA AALA AALA AALA ALEU ALEU ALEU ALEU ALEU ALEU A	93949494949494949495959595959595959596969696969696969696969797979797989898989999999999999999100100100100100101101101101101101	26.23824.02723.78922.29821.70520.27222.58024.21824.84123.87923.98522.74123.02123.65325.10825.90424.00823.37424.74924.66326.04526.87427.66328.42328.41927.62626.86923.89423.93723.13922.47020.98422.71422.10223.65724.26724.52625.20123.92923.94223.47621.94421.29221.38622.97322.49422.63521.68220.35422.25223.10221.77422.13923.52623.96924.51422.974	21.79922.19521.24220.87020.21719.78319.10121.77121.05423.02723.60123.24222.73021.35021.37020.29425.09525.65225.72127.14127.80827.74526.63726.56327.60328.72928.78627.29326.42528.37128.75928.44530.24830.97830.66031.98532.53231.89933.69934.41935.86035.97435.26636.72533.84534.59432.56031.89031.69830.52429.99029.95428.59028.50228.75730.14728.391	2.8062.6661.5901.4732.7202.4513.1310.249-0.524-0.004-1.333-2.153-3.533-3.471-3.823-3.112-1.235-0.343-2.146-2.414-2.542-1.300-1.0410.0950.9670.724-0.387-3.721-4.591-3.818-5.064-5.027-5.076-4.283-5.923-5.877-4.476-3.640-4.232-2.961-3.249-3.261-4.062-2.428-1.903-1.048-2.002-1.102-1.793-0.712-1.4040.3850.7311.4082.8663.0463.970	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	18.4316.6421.2119.2422.1119.8219.9522.4621.7724.8928.9433.6339.1043.1442.3051.3226.5721.2523.0922.7017.4715.8119.3316.3418.5220.1316.2226.5331.2331.4238.1342.9741.5340.4639.8542.4046.7246.3246.6149.3354.6160.0766.8264.3244.2643.6343.2238.0031.1035.5337.7131.3229.5126.9433.4035.7027.25	ONCCCCCCONCCCCCNCONCCCCCCCCCONCCCONCCONCCCOOCONCCCONCCCCC

原子	1598	C	LEU A	101	21.068	27.887	1.531	1.00	25.86	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	159916011602160416071609161316171618162016211623162716281630163116331636163816421646164716491650165216551656165816601661166216641666166816701671167316741676167916821685168716881691169416951697169817001702170617101711171317141716	ONCACBCGCD2CD2CONCACBCONCACBCGCD1CD2CONCACBCGCD1NE1CE2CD2CE3CZ3CH2CZ2CONCACBCGCDNECZNH1NH2CONCACBCG1CG2CONCACB	LEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AVAL AVAL AVAL AVAL AVAL AVAL AVAL AGLU AGLU AGLU A	10110210210210210210210210210310310310310310410410410410410410410410510510S1051OS105105105105105105105105105106106106106106106106106106106106107107107107107107107108108108	20.21921.11720.23219.59718.61917.38418.22721.06922.07320.63921.35021.97220.37819.15820.93920.24520.45419.98618.43520.40520.80422.03219.90620.22919.78020.64521.42922.02521.65020.76220.21120.57721.46422.03019.42118.18620.08419.43320.17219.67520.46620.09420.56021.42120.16019.38120.39218.18817.99617.79316.33118.29616.83915.96016.86915.76516.162	28.51726.57125.68424.73723.73824.47422.6922487024.24824.83824.10025.07823.15223.41922.05320.89419.66418.32818.31417.22520.53920.46920.33419.70620.57221.71921.77922.99723.77223.00223.56324.83625.59425.06518.43918.46617.33916.06815.16013.73912.98011.58210.77111.2289.50815.50215.43015.09714.64715.7216.32415.58813.66013.62612.81211.85910.871	2.1601.4402.1291.1091.7502.326O.7713.1072.7114.3645.4316.4786.0906.1226.5777.1486.2546.8367.1095.8738.5178.7149.46610.75311.91512.29113.37113.46612.41211.64010.48610.13710.93012.06710.76110.97310.44410.3599.4209.4118.4278.347.3956.4887.36011.77912.47212.19713.55614.47214.45615.83513.63812.76514.66714.91615.988	1.001.001.001.001.O01.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.OO1.001.001.001.001.001.001.00	25.6421.7322.3120.2123.3321.5221.4923.0917.0221.0923.1116.3623.0720.8520.9723.8623.1220.0322.7413.7324.1524.2924.0020.4524.0420.7522.1020.6918.2717.7918.6315.5417.4419.4621.7922.7522.0822.8827.5529.0727.3233.2731.8331.4235.963O.1827.3729.0933.5131.3935.6836.4332.2131.1438.7837.2742.52	ONCCCCCCONCCCONCCCCCCCNCCCCNCCCCCCCONCCCCNCNNCONCCCCCONCC

原子	1719	CG	GLU A	108	17.275	9.938	15.576	1.00	47.65	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	172217231724172517261728172917311734173717401742174317461749175017521753175517581761176417671771177217741775177717801783178417851788178917911792179417971799180318071808181018111813181618191822182518291830183218331835183818391840	CDOE1OE2CONCACBCGCDNECZNH1NH2CONCACBCGCDCENZCONCACBCGCDOE1NE2CONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCGOD1ND2	GLU AGLU AGLU AGLU AGLU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AASN AASN AASN AASN AASN AASN A	108108108108108109109109109109109109109109109109110110110110110110110110110111111111111111111111111111112112112112112112112112113113113113113113113113113114114114114114114	16.81815.76917.54114.56914.74413.36312.12010.89810.5159.9309.7259.6249.7109.43912.03011.64212.40612.34412.96112.11812.94412.10312.94613.06512.72514.08214.91416.39016.81416.73317.22716.10914.58715.24513.55713.27312.11512.42711.15713.39212.95613.37512.26011.79310.85910.3329.2589.8848.87212.95613.00213.87615.05815.82215.07814.23615.370	8.7658.1508.43412.65113.67912.18312.93312.04911.92710.55210.3849.2148.0549.20313.52714.68912.73913.17412.12510.8919.8148.5827.46614.48915.26714.75815.90415.48914.60815.34316.47214.70617.12918.15317.04918.13817.80016.84416.41517.49419.39420.48219.25120.39719.96921.12820.69020.05419.86921.22222.43020.57621.25520.31020.06120.86918.942	14.71415.01513.74415.38416.02115.06015.32915.09613.64513.32211.88011.24611.9099.92816.71516.86517.72519.12220.05320.29421.03521.41721.96719.34420.23418.54418.85518.76719.93421.27821.41422.27118.01718.15717.17716.21715.25514.11413.42013.12216.94816.55018.07518.80019.94620.78921.80823.04524.16019.33419.14020.02620.55921.48722.80423.22323.434	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	53.6656.4861.3536.7231.4739.9342.1747.8157.0265.6071.9376.7678.9877.4540.2938.9639.5439.3843.5352.3358.4262.1362.8338.2637.3234.3132.4136.7341.2547.1053.3946.7828.3330.6028.5228.9131.5937.4437.6235.9626.8429.0730.8429.0635.1539.7845.0751.6056.0730.0133.8928.8230.8134.8338.7532.1829.76	COOCONCCCCNCNNCONCCCCCNCONCCCCONCONCCCCCCONCCCCCNCONCCCON

原子	1843	C	ASN A	114	16.006	21.772	19.466	1.00	26.84	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	184418461847184918511854185818621863186518661868187018731877188118821884188518871889189118951896189818991901190319071911191219141915191719191923192719281930193119331935193819421946194719491950195219551958196119641968196919711972	ONCACBCG1CD1CG2CONCACBCG1CD1CG2CONCACBOG1CG2CONCACBCG1CG2CONCACBCG1CG2CONCACBCG1CD1CG2CONCACBCGCDCENZCONCA	ASN AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE AILE ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ACYS ACYS A	114115115115115115115115115116116116116116116116116117117117117117117117118118118118118118118119119119119119119119120120120120120120120120121121121121121121121121121122122	16.60216.10816.93617.12018.06019.46317.69016.37417.11515.05414.37712.83212.37910.94012.16214.77115.03314.86115.29015.15513.76615.91316.71517.01617.60619.00519.88121.24820.04218.99419.65818.19618.20917.47617.50218.10417.63218.08716.63816.07814.75813.69312.35314.28017.10817.28417.84418.88819.56920.60219.95320.95921.34719.93120.38720.33321.297	22.82021.03621.45520.28319.24719.84420.76922.69523.62522.72523.92523.75222.80722.33425.06025.14026.22924.98326.12525.82425.83026.85126.54727.74825.56625.84724.53624.84223.85626.58427.58926.10226.70425.84726.52424.48628.13129.01828.35529.69629.64928.91328.58431.05630.65331.79030.20431.03630.36431.23732.39933.15332.32431.35432.47230.33630.504	19.61718.37517.22716.22916.84717.25014.86816.54416.25716.34715.87915.87514.76914.91815.66216.71716.19918.02118.84820.37220.71921.21318.53918.46518.39817.98717.86717.26319.24616.65016.47815.70614.36013.35311.93813.28014.39613.69215.25615.41816.26515.43616.17416.61915.98115.47116.98917.54518.74119.45220.16521.03822.20116.47916.37115.73114.648	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	26.9127.3029.4030.4331.1231.3531.0227.6429.9729.7626.5227.9130.1526.5819.1522.4723.7225.3628.2831.4236.0427.5526.2728.3228.1129.5227.0126.2622.1821.9525.4025.9022.2419.9917.4717.9427.5725.0130.5526.1329.5427.2331.9828.3925.3626.4723.8229.0130.1935.7141.4845.6949.4528.0525.4729.0224.84	ONCCCCCCONCCCCCCONCCOCCONCCCCCONCCCCCONCCCCCCONCCCCCNCONC

原子	1974	CB	CYS A	122	21.452	29.184	13.900	1.00	23.31	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	197719791980198219831985198819901991199319941996199920012005200920102012201320152018202120222023202420252027202820302032203520392043204420462047204920522053205520572059206120622064206520682069207120722074207720792083208720882090	SGCONCACBOGCONCACBCGCD1CD2CONCACBCGCDOE1OE2CONCACBCG1CD1CG2CONCACBCGND1CE1NE2CD2CONCACONCACBCGCD1CD2CON	CYS ACYS ACYS ASER ASER ASER ASER ASER ASER ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AGLY AGLY AGLY AGLY ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU APHE A	122122122123123123123123123124124124124124124124124125125125125125125125125125126126126126126126126126127127127127127127127127127127128128128128129129129129129129129129130	22.74020.82421.55319.57818.95217.49817.40319.03019.42818.67918.69218.02116.54416.04815.68820.13420.38021.09822.49523.42223.09024.28325.42424.07722.98823.80222.51422.82122.26023.03022.35222.32922.25222.96220.97920.39518.93017.97917.89416.95616.43217.06421.22321.49821.66622.49823.80324.41024.25825.46825.92726.29526.67427.43025.20826.09423.988	29.28831.59732.49831.48832.44932.05530.76833.88934.81434.06935.38135.35234.92834.72335.95035.88537.05935.01935.47334.45134.21833.76933.87033.32735.85036.75335.14535.49034.43333.10731.95034.89736.86337.71737.08338.42038.46637.83838.22537.51936.68336.85439.46140.51839.13140.01040.42241.43639.62239.94138.73737.43436.34137.67141.12241.92141.221	12.61013.69013.41413.23112.34312.13511.57312.86912.16014.13314.73016.12516.16517.60915.41514.81014.60815.10415.08215.74017.20118.01617.52119.17313.66013.50312.63911.23510.24210.3889.6338.79310.90410.37311.21711.03611.48810.5139.1928.5859.46210.67211.76411.21212.97613.78513.12013.48312.16011.41810.58011.30410.32312.28510.50310.2609.993	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	23.5822.7125.6726.3426.9027.1727.1931.1731.1132.3132.9835.3835.8335.9139.3732.2930.7429.8428.3034.9236.3840.4343.4344.4927.5227.2927.9126.0221.7923.3718.1223.3630.4727.9431.2435.2740.0137.8943.6642.0739.5645.1636.4538.5039.4540.5545.0642.3946.2243.7541.8040.8737.7744.4843.7645.8546.28	SCONCCOCONCCCCCCONCCCCOOCONCCCCCCONCCCNCNCCONCCONCCCCCCON

原子	2091	CA	PHE A	130	23.671	42.187	8.945	1.00	50.78	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	209320962097209921012103210521072108211021112113211621192120212121222123212521262128213021322136213721392140214221452148214921502153215421562157215921622165216621672168216921712172217421772178218021822183218421862188219021922193	CBCGCD1CE1CZCE2CD2CONCACBCGCDOE1OE2CONCACBOG1CG2CONCACBCGCDOE1NE2CONCACBCGCDOE1OE2CONCACBCGCD1NE1CE2CD2CE3CZ3CH2CZ2CO	PHE APHE APHE APHE APHE APHE APHE APHE APHE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATHR ATHR ATHR ATHR ATHR ATHR ATHR AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP A	130130130130130130130130130131131131131131131131131131132132132132132132132133133133133133133133133133134134134134134134134134134135135135135135135135135135135135135135135	23.00723.92223.96424.84125.70425.68324.79622.81322.14522.87821.98622.00520.94521.06822.01520.21222.26921.35523.52623.87424.28825.36223.10224.99826.08524.72625.65726.00826.91728.14428.88928.36725.01123.80425.81225.28624.37924.18425.18924.90426.25126.43627.58226.13327.09927.31727.85427.33328.11329.16129.03329.99231.03531.13130.20526.63825.589	41.44940.47239.15238.25438.68039.99740.88943.35244.00743.62944.61044.44443.48343.20743.71142.46646.07246.89246.40547.73648.69948.12049.00047.60648.16946.82646.64245.16044.60843.90644.47442.67147.19347.07547.78948.54349.68950.93652.05053.21351.77549.05649.09549.40550.05349.20447.85846.67645.63646.13447.53548.29447.63146.23445.47251.43351.915	7.7817.1247.5416.9545.9365.5296.1239.4408.64310.74711.39412.91613.43314.92715.57715.44911.04111.04410.77110.27411.42012.17612.3469.2539.4208.2107.1006.9238.0227.4736.6747.9065.8405.6784.9543.8014.3173.4363.7263.3614.3232.9253.3761.6720.774-0.481-0.219-0.649-0.2160.5140.5311.2211.8651.8291.1610.3270.745	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	47.8848.5344.8347.2348.6448.5848.4356.8256.3564.3471.9972.7374.0075.4075.4577.5776.0477.3182.0586.8087.6088.4587.0090.0590.1094.3697.7995.8593.4691.6589.4191.85102.49104.45108.06111.98112.48112.42111.87112.36110.04114.66116.63117.26118.17119.23121.09121.66122.58122.27122.10122.35121.85122.14122.23117.75117.81	CCCCCCCCONCCCCOOCONCCOCCONCCCCONCONCCCCOOCONCCCCNCCCCCCCO

原子	2195	N	GLU A	136	27.460	52.065	-0.509	1.00	117.44	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	219621982201220422052206220722082210221122132216221922202221222222232225222622292230223222332235223822402244224822492251225222542257225822592260226122632264226622682271227522792280228222832285228822912294229622972300230323042306	CACBCGCDOE1OE2CONCACBCGCD0E1OE2CONCACONCACBCGCD1CD2CONCACBCGOD1OD2CONCACBCG1CD1CG2CONCACBCGCDNECZNH1NH2CON	GLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLY AGLY AGLY AGLY ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AASP AASP AASP AASP AASP AASP AASP AASP AILE AILE AILE AILE AILE AILE AILE AILE AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AVAL A	136136136136136136136136137137137137137137137137137138138138138139139139139139139139139140140140140140140140140141141141141141141141141142142142142142142142142142142142143	27.05627.29526.92026.70927.32325.92525.60124.73225.35024.02023.67122.23021.84322.72820.64422.92122.54022.43021.40722.00322.94721.44721.85823.06423.02823.41623.90222.09823.21321.01420.95119.53518.42817.27918.70421.95422.55822.13022.75424.32124.91324.38224.73422.07522.54220.96320.22618.88418.80419.77819.63620.36621.30120.16919.96620.20619.459	53.19252.82151.36851.13751.84550.23453.64553.36054.33754.88956.04156.57757.12557.63057.05753.80553.34053.39952.36250.97850.79450.01048.60348.33846.98047.11445.95148.15748.22747.69247.44246.98147.89147.41349.07646.39646.58245.31944.04644.11042.73641.56345.05143.47443.67542.77342.07342.76843.43644.59145.34646.41746.86247.04740.62740.24039.842	-1.356-2.836-3.189-4.674-5.495-5.027-1.150-1.980-0.0360.291-0.678-0.6220.7391.4591.0820.3341.414-0.835-0.928-0.7530.019-1.480-1.407-2.321-3.040-4.513-2.3280.0500.5880.6652.1002.5051.9701.8491.6682.5793.6251.8062.2722.4552.8132.0203.5543.5294.6543.3064.3654.6616.0276.1347.3807.6906.8618.8363.9572.8114.901	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	117.02115.88113.44111.24111.03108.57117.16117.70117.24116.94116.76115.85114.91114.99112.40116.52116.39115.39113.81112.67112.59110.87108.76108.95109.92110.13110.25106.44106.18102.1897.5798.6999.6097.11100.7192.1292.7984.5178.2678.1677.3875.9979.4772.2167.3165.0162.9665.8170.0673.2975.7978.0379.3879.5154.8748.8647.43	CCCCOOCONCCCCOOCONCCONCCCCCCONCCCOOCONCCCCCCONCCCCNCNNCON

原子	2307	CA	VAL A	143	19.121	38.456	4.630	1.00	44.87	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	230923112315231923202322232323252328233123342337234123422344234523472349235223562360236123632364236723682370237123732376237823822386238723892390239223962397239924002402240624072409241024132414241624172419242224232425242724292431	CBCG1CG2CONCACBCGCDCENZCONCACBCG1CD1CG2CONCACONCACBCGCD1CD2CONCACBCONCACBCONCACONCACBCGND1CE1NE2CD2C	VAL AVAL AVAL AVAL AVAL ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA AALA AALA AALA AALA AALA AGLY AGLY AGLY AGLY AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS A	143143143143143144144144144144144144144144145145145145145145145145146146146146147147147147147147147147148148148148148149149149149149150150150150151151151151151151151151151	20.10121.53619.68717.66617.02517.14315.83414.86814.77513.99313.67913.20116.04916.79115.38415.50316.26317.68418.55216.24214.13613.22713.98412.87613.38014.47112.60512.91513.16614.21914.31415.57911.77810.61612.11611.12810.92011.63912.82810.72811.04210.90710.1178.98510.6129.77810.54011.7769.79010.3309.2148.3648.8947.9106.7667.02111.066	37.46237.99937.23138.15638.85237.14636.56936.66138.01937.90539.27139.15235.08934.41534.59033.17833.01533.57033.64531.53632.50232.99031.39130.48529.23628.71828.74727.49127.69228.67528.64028.36526.52926.92225.26024.22523.91723.01722.92122.13020.93421.20419.81320.06918.58017.41816.35016.27515.54014.43013.47313.01912.66112.32212.44712.88414.928	5.3695.3186.7934.9565.7474.2944.6073.4132.7371.4290.825-0.5984.9244.2035.9686.3627.7287.6058.9168.1746.4377.1235.7185.9166.6206.2797.5948.3009.80110.27311.8009.6378.1128.0658.0047.8436.3938.6188.9258.9819.76211.2489.3288.9159.3729.0748.3238.3927.5846.8366.4237.5678.7899.6068.9577.6815.586	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	47.6248.5248.1436.6736.9234.1639.7140.1548.1154.0460.0364.0436.4134.5934.4330.2428.7627.1924.9425.7129.5535.3426.1026.8930.3723.4129.7428.2125.0729.6919.5527.5132.0434.6132.4226.8927.5831.4630.9230.4731.6325.6231.6232.4932.4731.2933.4429.5629.5634.2439.1347.3448.3754.6855.2651.6331.12	CCCCONCCCCCNCONCCCCCCONCCONCCCCCCONCCCONCCCONCCONCCCNCNCC

原子	2432	O	HIS A	151	10.580	15.806	4.889	1.00	32.52	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	243424352437243924422446245024512453245424562459246124622464246524672470247324742478247924812482248424872489249324972498250025012503250525092513251425162517251925222523252525272529253125332534253625372540254125432544254625492550	NCACBCG1CD1CG2CONCACBOGCONCACBCGSDCECONCACBCGCD1CD2CONCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACONCACBCGOD1	ILE AILE AILE AILE AILE AILE AILE AILE ASER ASER ASER ASER ASER ASER AMET AMET AMET AMET AMET AMET AMET AMET ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLY AGLY AGLY AGLY AASP AASP AASP AASP AASP A	152152152152152152152152153153153153153153154154154154154154154154155155155155155155155155156156156156156156156157157157157157157157157157157157158158158158159159159159159	12.22813.04414.25113.74814.72415.11113.47313.81013.40013.91612.89111.61215.11215.13216.09517.27718.51419.81721.18622.50017.26217.04717.49517.66816.68016.82416.40316.01019.10219.59619.76221.06422.12123.45322.33720.91420.36521.37521.29320.00919.88420.27320.17719.65319.27319.39222.54123.36622.70823.89824.27723.50525.48825.99326.05126.90227.808	14.34914.70115.58916.88117.54115.95413.44012.43713.47112.38411.92611.73312.94314.10812.09512.42712.15112.54711.59612.58511.51410.30312.10111.34611.83511.1169.64511.82611.53412.65910.43210.4729.7839.58210.6229.8458.78210.54810.06110.54712.03012.72614.11214.79514.09812.72310.45411.2569.84410.0508.8507.8888.8857.7888.1769.3919.713	5.3214.1524.5525.1856.1703.3263.4584.0882.1371.3360.2900.8620.6020.2370.393-0.3540.488-0.1540.509-0.144-1.559-1.438-2.722-3.936-4.993-6.343-6.254-7.385-4.415-4.499-4.731-5.338-4.446-5.203-3.184-6.724-6.863-7.750-9.133-9.812-9.858-10.983-11.027-9.943-8.800-8.773-9.922-9.458-11.089-11.878-12.695-12.823-13.225-14.021-15.503-15.767-14.970	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	30.6826.2525.6822.1924.9925.6730.1227.0030.7731.8031.0139.2929.5627.4430.9333.0334.3641.4044.9847.4732.3332.7827.5430.4128.9434.9332.4735.2728.0432.2731.0227.9532.6034.2833.1728.5326.8627.2329.0927.3626.2827.7929.2427.4628.6431.0026.5322.5125.0622.2524.6528.4626.2329.9928.9929.5225.24	NCCCCCCONCCOCONCCCSCCONCCCCCCONCCCCCONCCCCCCCCCONCCONCCCO

原子	2551	OD2	ASP A	159	26.689	10.026	-16.813	1.00	30.34	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	255225532555255625582561256425652566256725682570257125732575257725812582258425852587259025912593259525972599260026022603260526082610261126132614261626192620262226242626262826292631263226342637263826402642264426462648264926512652	CONCACBCGCDOE1OE2CONCACBOG1CG2CONCACBCGND1CE1NE2CD2CONCACBOGCONCACBCGND1CE1NE2CD2CONCACBCGCD1CE1CZCE2CD2CONCA	ASP AASP AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATHR ATHR ATHR ATHR ATHR ATHR ATHR AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ASER ASER ASER ASER ASER ASER AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ALEU ALEU A	159159160160160160160160160160160161161161161161161161162162162162162162162162162162163163163163163163164164164164164164164164164164165165165165165165165165165165165166166	27.32727.56128.17929.39029.92629.20829.52830.73328.56830.44631.38730.26631.23131.85430.82732.54030.68431.46429.36728.79128.20029.16030.27730.94230.29429.17827.72726.99227.66426.58327.05227.68125.97026.60824.70823.94723.06423.83224.27824.96124.96624.28123.08022.75522.73321.73022.34622.78521.96822.36123.55624.36923.98120.71920.93119.62218.486	7.3567.5306.7646.1735.1073.7643.0822.9082.7167.2216.9348.4379.4939.86010.2158.66710.72511.50310.89612.08813.04913.44214.21714.38913.76413.16311.66810.71512.35912.17511.45010.22713.49614.56813.41014.56815.04515.60116.89917.10815.98815.02414.10712.92415.01314.71314.39215.61116.17617.28417.86317.33316.19615.84416.97115.49216.353	-13.449-12.243-14.281-13.777-14.729-14.572-13.242-12.916-12.520-13.470-12.754-13.986-13.795-15.140-16.050-15.714-13.052-12.558-12.965-12.339-13.371-14.446-14.200-15.326-16.293-15.769-11.374-11.618-10.252-9.294-8.069-8.405-8.874-8.933-8.469-8.054-9.194-10.337-10.358-11.466-12.171-11.475-6.961-6.922-6.057-5.048-3.697-2.939-1.967-1.279-1.556-2.524-3.213-4.895-5.314-4.265-4.075	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	34.0230.5030.9135.9340.7748.4457.2562.6064.5434.6232.4132.3631.3529.1039.2337.2828.6324.0126.1726.2728.5838.2042.9543.1141.7239.6422.7323.2020.5921.4521.8625.0723.9918.2519.6423.0424.6621.9023.7319.6819.5622.0723.0527.5122.9924.3025.4824.9123.7825.6120.8627.6723.5223.6623.0226.0227.02	CONCCCCOOCONCCOCCONCCCNCNCCONCCOCONCCCNCNCCONCCCCCCCCCONC

原子	2654	CB	LEU A	166	17.416	16.035	-5.108	1.00	31.06	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	265726592663266726682670267126732675267926832684268626872689269126942698270227032705270627092710271227132715271827212722272327262727272927302732273627372739274027422744274827522753275527562758276127622763276427652767276827702773	CGCD1CD2CONCACBCG1CG2CONCACBCG1CD1CG2CONCACONCACBCGCDOE1NE2CONCACBCONCACBCG1CG2CONCACBCGOD1OD2CONCACBCG	LEU ALEU ALEU ALEU ALEU AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AALA AALA AALA AALA AALA AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP AASP A	166166166166166167167167167167167167168168168168168168168168169169169169170170170170170170170170170171171171171171172172172172172172172173173173173173173173173174174174174	17.68416.53017.84617.86817.82917.38216.48916.90218.14817.11615.08914.90514.13512.78612.53613.62213.87611.14711.84312.20110.6349.5128.8629.1957.9357.0905.8024.7104.3374.1284.2667.8967.7138.8039.65010.47010.56410.79611.01611.81112.43513.21213.36810.92211.2479.7848.8017.5037.7158.8086.7898.4828.4408.2687.9577.6616.274	16.52516.10818.02715.99414.81617.00716.78417.50616.86618.98617.21118.26316.37316.35215.04514.82716.03015.05116.26615.70616.78916.53617.81418.89817.70818.86818.45819.57420.11019.33821.43519.88221.07119.41620.32919.54121.17522.36120.57721.29520.30421.03519.29122.33423.53821.87822.79422.07020.89920.80820.05223.91825.07223.56124.52823.80723.174	-6.503-7.404-6.416-2.768-2.405-2.065-0.9550.3380.8770.112-1.428-2.094-1.059-1.608-2.427-3.475-4.297-3.100-0.4390.606-0.6340.2690.7230.2431.6741.9992.7352.7821.3810.4451.2442.7792.6163.6254.4035.3973.4753.7112.3781.3840.420-0.7071.2110.6670.6170.152-0.460-0.829-1.758-2.354-1.8930.5090.1441.7672.8014.1174.136	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	33.2833.6640.4825.1223.3623.9327.0725.2832.4325.4929.4427.9228.8229.4435.5941.2941.8638.5332.2825.7830.2433.4031.3934.5738.2534.2738.7043.9647.4152.5648.5230.9836.1430.8729.4929.0328.6433.7630.2026.2024.3427.8021.8029.4327.2233.3034.1034.9139.1042.8245.2332.4140.2935.5932.2534.6338.06	CCCCONCCCCCONCCCCCCONCCONCCCCONCONCCCONCCCCCONCCCOOCONCCC

原子	2774	OD1	ASP A	174	5.488	23.446	3.187	1.00	40.40	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	277527762777277927802782278427882792279327952796279828012804280728092810281328162817281928202822282528272831283528362838283928412845284628482849285128542857285828592862286328652866286828712872287328762877287928802882288528882889	OD2CONCACBCG1CG2CONCACBCGCDNECZNH1NH2CONCACBCGCD1CD2CONCACBCONCACBCGCDOE1NE2CONCACBCGOD1ND2CONCACBCGSDCE	ASP AASP AASP AVAL AVAL AVAL AVAL AVAL AVAL AVAL AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AASN AASN AASN AASN AASN AASN AASN AASN AMET AMET AMET AMET AMET AMET A	174174174175175175175175175175176176176176176176176176176176176177177177177177177177177178178178178178179179179179179179179179179180180180180180180180180181181181181181181	6.0059.0338.72610.30111.35612.70013.44913.53111.46911.84611.11511.08510.90710.77612.10212.25813.33214.35913.3839.94810.1708.7517.5866.3085.8984.6995.6277.8487.6548.3428.6609.2139.6549.52410.67011.69712.90614.17714.21414.73013.66011.17911.53110.3789.8379.6769.0818.2809.4508.6008.1798.0667.1596.5475.3554.7064.121	22.39525.55026.69525.15026.11125.42024.92826.33327.12928.27826.69527.58426.79627.66527.83829.16629.56028.72630.79728.58029.77828.07728.95228.12427.16526.28527.92329.94031.13729.43230.25829.38731.34432.48330.99931.98131.29332.15133.12634.24232.71733.09934.26832.76633.83633.43332.08131.63431.41634.55435.56634.05834.83933.97833.20132.42230.889	5.0773.0593.3213.0493.3743.7272.4884.5662.2392.4601.035-0.128-1.427-2.695-3.437-4.046-4.736-4.916-5.2430.0730.0120.3610.5230.787-0.3470.030-1.6761.6431.4882.7643.9315.0533.5954.0562.8062.4531.8241.8030.6440.778-0.4991.5311.7280.523-0.336-1.819-2.006-1.194-3.0960.238-0.3041.3522.2063.3112.9284.4073.697	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	38.0731.7028.9030.7429.6026.4228.3928.4032.6631.4437.3841.1242.0451.5260.2368.2370.7469.3369.8935.6534.8136.4040.1942.9243.9341.2545.5236.6839.2637.9834.4931.8640.5838.6143.6546.7049.5952.5753.8854.0451.6147.6046.1448.1552.4354.2054.9962.4150.6251.5053.9553.1555.3555.5557.2259.3857.04	OCONCCCCCONCCCCNCNNCONCCCCCCONCCCONCCCCONCONCCCONCONCCCSC

原子	2893	C	MET A	181	7.907	35.934	2.932	1.00	57.14	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	289428962897289929032904290629072909291229152916291729202921292329242926292929322933293729382940294129432946294729482951295229542955295729602961296229632964296629672969297129752979298029822983298529872990299429982999300130023004	ONCACBCONCACBCGCD0E1NE2CONCACBCGSDCECONCACBCGOD1ND2CONCACBCGOD1OD2CONCACBCG1CG2CONCACBCG1CD1CG2CONCACB	MET AALA AALA AALA AALA AALA AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AMET AMET AMET AMET AMET AMET AMET AMET AASN AASN AASN AASN AASN AASN AASN AASN AASP AASP AASP AASP AASP AASP AASP AASP AVAL AVAL AVAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE ALEU ALEU ALEU A	18118218218218218218318318318318318318318318318418418418418418418418418518518518518518518518518618618618618618618618618718718718718718718718818818818818B188188188189189189	7.3329.1739.92911.21010.29010.52110.32810.86910.0418.5097.7408.2836.45412.29012.71813.01814.29414.69815.42516.16014.73914.16813.20015.15015.31615.15816.20516.89516.34014.39714.55013.47812.55711.27110.44110.7929.44013.15313.89712.76412.85613.54113.81714.82211.42310.61711.1019.7799.1829.0438.1597.8449.85810.8138.8348.7268.445	36.97235.67036.49835.75637.86437.99138.87140.17041.31441.12042.17143.20641.91040.24139.38941.26941.58243.02943.25644.92145.95841.40941.86740.72B40.62542.00442.25943.28841.31939.60339.31639.01638.04937.92639.19340.18339.17336.65836.22735.96434.53334.10632.61934.90134.02534.34433.24632.62032.78634.25635.05632.11431.12430.46730.59329.18028.956	3.2423.2534.1894.6613.6032.3974.4704.1204.7364.7203.9243.5223.7114.6625.4454.2514.8684.5873.2723.1943.6096.3686.9756.9518.3949.06510.15010.12611.0959.05010.2338.2908.8598.0348.0278.7227.2898.9408.05810.00010.08411.39711.40811.60410.03510.9308.9998.8627.4417.0497.9897.3589.1178.6889.78710.07711.550	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.001.001.001.001.001.00	59.3458.4458.8256.5258.4258.8055.1758.5860.5764.5167.2468.8667.6857.3053.5259.0060.9465.7971.1179.7676.6659.0756.8457.4155.9961.0166.9072.7669.4251.7552.7447.1046.0247.2446.9447.5844.3443.6841.9740.2439.9038.5942.2439.4337.0937.2136.2734.5135.7240.2442.5934.1337.4033.6434.9931.7630.56	ONCCCONCCCCONCONCCCSCCONCCCONCONCCCOOCONCCCCCONCCCCCCONCC

原子	3007	CG	LEU A	189	9.302	29.612	12.624	1.00	33.46	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	300930133017301830203021302330263028302930313032303430373040304330443045304630483051305230533056305730593060306230653067306830703071307330763077307930813082308330853087308930913092309430953097310031033104310531083109311131123114	CD1CD2CONCACBOGCONCACBCGCDCONCACBCGOD1ND2CONCACBSGCONCACBCGCD1NE1CE2CD2CE3CZ3CH2CZ2CONCACBCGCDOE1NE2CONCACB	LEU ALEU ALEU ALEU ASER ASER ASER ASER ASER ASER APRO APRO APRO APRO APRO APRO APRO AASN AASN AASN AASN AASN AASN AASN AASN ACYS ACYS ACYS ACYS ACYS ACYS ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALEU ALEU ALEU A	189189189189190190190190190190191191191191191191191192192192192192192192192193193193193193193194194194194194194194194194194194194194194195195195195195195195195195196196196	8.81410.7877.5886.4707.8426.7697.3137.6675.6845.9764.4333.4142.3072.4113.8853.9403.8364.5264.9285.3555.3776.3154.3496.0236.0276.9197.9818.90810.3697.4287.8616.5145.7354.7943.8162.4541.8962.8964.1245.3195.2514.0102.8274.9614.9874.3123.6453.0291.8080.6940.0200.5154.5824.1645.8406.8017.707	29.11429.29228.59729.11427.49726.74925.47524.58926.38526.31026.18925.64125.19426.18626.51924.47124.50923.45922.25221.12819.79018.98519.54222.54221.98423.45723.88724.86925.27524.54324.25125.48026.09827.16327.71727.69828.28428.70028.35728.67729.31929.64529.33825.03025.02624.10722.97522.05521.28522.20421.91623.33822.15321.64322.00221.13120.451	14.00812.4019.3089.3678.6168.0097.4158.4629.06110.2598.6119.5008.5347.3837.27510.33211.5469.69410.4239.48410.17210.00510.98711.43412.52411.08111.97511.25312.23413.23714.35913.02814.11113.51514.49914.40415.51216.34615.73716.39317.62718.20517.58214.93316.15514.25114.90613.84014.29514.78315.78414.09415.80516.85115.37416.04415.012	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	29.0631.6733.4435.6032.3733.5632.9536.1235.7333.1737.0338.8634.8538.8340.5035.6238.2438.1137.7939.5343.8644.2039.8137.0438.7536.4234.9832.5135.2232.9930.1937.2140.4343.5247.8748.3349.4551.2350.0451.1549.0352.4751.3035.2940.4940.6245.0749.4157.7366.3572.7369.9446.9944.5544.8640.5641.10	CCCONCCOCONCCCCCONCCCONCONCCSCONCCCCNCCCCCCCONCCCCONCONCC

原子	3117	CG	LEU A	196	7.015	19.383	14.160	1.00	42.62	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	311931233127312831303131313331363138313931413142314431473148314931503151315331543156315931623165316731683171317431753177317831803183318531863188318931913194319731983202320332053206320832103213321732213222322432253227323032333234	CD1CD2CONCACBSGCONCACBCGOD1OD2CONCACBCGCDNECZNH1NH2CONCACBOGCONCACBCGSDCECONCACBCG1CD1CG2CONCACBCGCDOE1	LEU ALEU ALEU ALEU ACYS ACYS ACYS ACYS ACYS ACYS AASP AASP AASP AASP AASP AASP AASP AASP AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ASER ASER ASER ASER ASER ASER AMET AMET AMET AMET AMET AMET AMET AMET AILE AILE AILE AILE AILE AILE AILE AILE AGLU AGLU AGLU AGLU AGLU AGLU A	196196196196197197197197197197198198198198198198198198199199199199199199199199199199199200200200200200200201201201201201201201201202202202202202202202202203203203203203203	7.9066.5637.6678.3377.6788.6418.8927.6428.2407.1559.1618.93610.24210.08911.1008.9748.3639.0917.0366.3074.8254.6043.1672.9901.8540.7531.8176.4686.2156.8967.1867.4588.8498.3788.4469.30910.52511.57912.08913.48314.39810.34711.1269.3869.4119.7878.5908.98010.4698.1267.0288.3007.2157.4536.9435.4194.790	18.90718.21521.87321.24323.20023.91425.31526.52623.96523.50924.48024.68624.53224.81924.67225.20326.08427.06826.15127.42927.17526.52626.21125.91625.51525.33925.29828.23829.44027.59028.30127.32327.10229.23130.28528.82429.58428.64827.50927.92329.05930.75131.70430.64831.51230.73930.52429.96929.37832.30131.72533.61834.57235.87635.86735.95636.670	13.02415.02717.05617.86417.02017.82617.29017.68219.29719.68720.10321.51922.29323.77124.50124.20221.64021.69221.66121.66621.39820.05219.77818.36017.79318.51216.48222.94922.95724.02925.27626.43326.61325.07925.69124.22323.95723.32924.20325.25324.22622.98123.01122.06620.88319.55518.64217.32219.82320.69820.70420.52720.26821.04222.49522.60221.783	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	37.1340.5539.1842.2538.1340.6441.8840.2942.2442.7242.2545.5945.7148.8048.7548.8746.1242.3249.1950.0450.7550.9952.6655.1956.8459.1956.0752.5055.9055.7056.2754.5855.5956.2659.0855.1254.4156.2057.0655.5561.4950.7746.2550.9553.3754.9554.1354.4253.2256.3956.1357.7859.9364.0468.7471.7871.90	CCCONCCSCONCCCOOCONCCCCNCNNCONCCOCONCCCSCCONCCCCCCONCCCCO

原子	3235	OE2	GLU A	203	4.854	35.312	23.519	1.00	73.50	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	323632373239324032423244324732513255325632583259326132643267326832693270327132733274327632793281328232843285328732893293329732983300330133033306330933123313331433153317332033213322332333243326332733293332333533363337334033413343	CONCACBCG1CD1CG2CONCACBCGCDOE1OE2CONCACBOGCONCACBCG1CG2CONCACBCGCDCONCACBCGOD1OD2CONCACBCGCDOE1NE2CON	GLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ASER ASER ASER ASER ASER ASER AVAL AVAL AVAL AVAL AVAL AVAL AVAL APRO APRO APRO APRO APRO APRO APRO AASP AASP AASP AASP AASP AASP AASP AASP AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AARG A	203203204204204204204204204204205205205205205205205205205206206206206206206207207207207207207207208208208208208208208209209209209209209209209210210210210210210210210210211	7.1138.0315.9875.7475.4164.0792.8776.5424.5993.8074.5063.3403.6963.7394.3454.0735.1012.7913.5081.5160.849-0.672-1.3091.3731.9451.1871.4502.5532.7133.8840.123-0.461-0.382-1.597-1.391-0.6590.197-1.796-0.907-2.954-3.339-3.471-4.180-3.648-5.255-2.356-2.282-1.615-0.5710.8071.0631.0891.1711.016-0.601-0.700-0.509	34.88935.48334.50434.66333.29532.72033.30632.27635.63535.96536.07636.83938.31338.76540.15240.80140.59136.17235.42436.42935.82136.02134.84436.36137.45935.56035.98135.10635.43935.28835.90534.81537.07237.18838.52739.35838.40536.06935.81735.40634.37634.99736.35837.31636.47533.19432.45533.02732.01732.65433.21132.14732.46330.88431.38332.09030.055	18.77418.19518.17816.74216.03616.50715.79216.22816.44617.32815.19214.72914.48313.02812.85311.81313.74913.48112.79913.19812.05312.12412.60110.73010.6669.6838.3107.6416.1648.3717.5417.4197.0676.2495.5316.5217.3425.2204.3985.2834.2992.8902.9052.2933.5444.2733.2885.3695.4755.2563.8612.7811.6003.1776.8597.8656.907	1.001.OO1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	57.4451.8254.9158.7457.4056.7759.1358.1460.5058.9662.1963.2363.4466.2668.1069.0070.9564.6362.8065.0465.5066.4468.8964.5462.9864.2065.3165.9464.7665.0166.2363.2069.4570.5970.9170.3769.4372.0570.7373.9576.6477.8980.7083.1080.9974.7373.2173.9072.6072.1970.6569.8772.6769.2671.0069.9670.16	CONCCCCCCONCCCCOOCONCCOCONCCCCCONCCCCCONCCCOOCONCCCCONCON

原子	3344	CA	ARG A	211	-0.364	29.341	8.178	1.00	69.82	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	334633493352335533573358336133643365336733683370337433753377337833803382338633903391339333943396339934023405340834123413341534163418342034243428342934313432343434373438343934423443344534463448345134523454345634583460346234633465	CBCGCDNECZNH1NH2CONCACBCONCACBCG1CG2CONCACBCGCDCENZCONCACBCG1CG2CONCACBCGOD1ND2CONCACBCGCD1CE1CZCE2CD2CON	ARG AARG AARG AARG AARG AARG AARG AARG AARG AALA AALA AALA AALA AALA AVAL AVAL AVAL AVAL AVAL AVAL AVAL ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASN AASN AASN AASN AASN AASN AASN AASN APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ALEU A	211211211211211211211211211212212212212212213213213213213213213214214214214214214214214214215215215215215215215216216216216216216216216217217217217217217217217217217217218	-0.798-2.309-2.714-1.913-1.159-1.078-0.4781.0721.3351.9953.3874.2843.4252.4964.5024.6104.4133.0295.5055.9486.9325.9697.1776.8678.0077.5048.6118.5097.6876.8879.0109.64911.04311.69510.9159.85310.5359.2779.4808.2197.0367.1885.85110.63511.60510.54211.58311.25810.66911.49710.9559.5668.7289.28411.75010.82412.956	27.87227.65726.23925.22824.28624.15723.44629.40828.99529.91530.12730.40931.28532.08431.37532.35031.66130.98030.62833.08432.56234.30635.12236.54337.56038.97140.03641.04635.11235.20234.99734.97434.27434.30232.85836.39637.18436.73138.05738.57638.71239.12938.35938.00338.73537.10936.98637.85839.19540.27841.52641.69040.60539.36835.53734.72735.230	8.0517.9138.3287.6328.2079.5377.4298.7039.8307.8828.2967.0839.2689.31510.03611.11212.49312.56312.75611.05910.52811.58811.64611.18211.31710.94710.94312.05313.08714.02213.25314.57214.53415.90014.04715.05514.39216.21016.78417.48116.53115.38517.00917.74317.59118.72319.74420.97620.63320.33119.98619.94020.24120.58020.18120.08620.633	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	73.7576.6978.5980.6381.5479.1280.2465.5665.1162.1057.3855.3955.0755.7051.1649.0449.8247.3649.3148.6543.5947.2648.2649.7555.0659.0861.4062.6951.2650.9049.6047.3245.6343.3139.5150.1550.0652.4153.1555.3755.6361.2061.3553.5951.1256.5159.9962.4566.0170.7572.2173.6771.0569.4558.8955.1560.58	CCCNCNNCONCCCONCCCCCONCCCCCNCONCCCCCONCCCONCONCCCCCCCCCON

原子	3466	CA	LEU A	218	13.249	34.000	21.344	1.00	64.80	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	346834713473347734813482348434853487349034933496349935033504350635073509351235153518351935203521352335263529353235333534353535373540354335463547354835493551355435553556355935603562356335653568356935713573357535773579358035823583	CBCGCD1CD2CONCACBCGCDCENZCONCACBCGCDCONCACBCGCDCONCACBCGCDCONCACBCGOD1ND2CONCACBCGCD1CE1CZCE2CD2CONCA	LEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO APRO AASN AASN AASN AASN AASN AASN AASN AASN APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASN AASN A	218218218218218218219219219219219219219219219220220220220220220220221221221221221221221222222222222222222222223223223223223223223223224224224224224224224224224224224225225	14.54814.96913.97916.37613.37514.39412.30412.22010.90910.89111.39411.34811.68612.27811.28013.45013.61015.10715.69114.68113.21713.21912.91212.63212.64612.27612.79813.70514.86113.31914.22313.43212.04711.92615.57616.59915.59116.83516.60316.22815.95116.21917.46318.35017.01917.53616.63617.09416.72817.13517.91518.28717.87718.94819.25119.81121.184	33.38032.00230.92231.68734.41534.98134.18234.55635.31136.11037.54438.36639.81433.26032.54432.94831.66131.42232.81733.76031.73232.82530.57430.47228.96128.36129.26631.13731.19431.64732.25532.17032.38231.73831.58832.27530.27229.57928.59629.30830.51928.54928.88428.03729.26228.67229.01628.42627.13326.60127.36028.64129.17129.16930.33828.26328.615	20.81021.31520.88520.81822.81223.22623.56824.98025.25826.56726.36127.65927.43825.78825.90026.34827.00026.86927.05926.43628.48129.04729.10730.54330.79629.51428.44331.41231.00632.59533.55134.85434.42133.07033.71033.65633.89534.19535.34136.65436.68137.74632.98033.12931.78130.54329.36028.04427.67426.45725.59525.95327.17130.27930.51929.82329.430	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	65.8165.7364.8966.1467.2869.0769.1970.4873.2776.7979.5381.4880.4867.8667.9665.1363.9064.5665.2765.5160.6560.0957.4556.2457.5759.0458.2855.5048.7757.7558.6058.1558.7359.4058.4363.7454.5657.1959.4965.0763.1967.3254.7855.8151.2051.1949.5753.2452.4354.5252.1453.7152.6148.1648.8044.7544.86	CCCCCONCCCCCNCONCCCCCONCCCCCONCCCCCONCCCONCONCCCCCCCCCONC

原子	3585	CB	ASN A	225	22.202	28.144	30.484	1.00	44.91	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	358835893590359335943596359735993602360336053607360936113613361436163617361936223623362436253626362836293631363436373638363936403641364336443646364936503652365436563658366036613663366436663669367036723674367636783680368136833684	CGOD1ND2CONCACBCGCD1CE1CZCE2CD2CONCACBCGOD1OD2CONCACBCGCDOE1OE2CONCACBCGCD1CE1CZCE2CD2CONCACBCGCD1CE1CZCE2CD2CONCA	ASN AASN AASN AASN AASN APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ATHR ATHR A	225225225225225226226226226226226226226226226226227227227227227227227227228228228228228228228228228229229229229229229229229229229229230230230230230230230230230230230231231	23.64324.29024.13621.47821.61021.54921.62721.58021.57720.42320.43221.60622.76622.75722.86922.79224.00325.24426.42226.66026.94226.54125.12225.58024.50824.22223.78524.93824.45325.14923.37423.14623.23522.10621.09720.04219.01017.99917.02917.07818.07519.03721.75621.49022.61523.28124.11324.77026.06526.64425.95524.66624.06424.14124.08624.89825.730	28.58329.28528.17027.99426.78128.82828.30629.40928.86328.30927.75727.75128.27028.81127.43026.38027.86327.08727.85229.20330.19929.28425.67624.72025.52824.18724.25624.53725.10726.00224.68223.47422.29224.19823.63924.69624.25123.38322.97423.42124.28924.70523.12822.00623.95023.57724.74224.42623.93023.58523.72024.19124.53622.32521.39122.27921.120	30.15430.93029.00828.05927.94727.01825.64324.58323.18122.64221.36020.63621.18022.43825.44124.83025.96925.84826.46925.79426.51024.54926.42825.81327.60328.13229.60930.60731.95132.48332.45427.30327.05326.90326.01725.70824.72625.10524.20122.89122.50123.42224.70024.23824.12222.88022.33221.00820.96919.79118.62518.62819.81223.08822.29724.17424.439	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	47.0552.6441.9139.0536.2740.9137.0336.7137.8436.5532.7831.6932.5735.4434.7836.1538.9440.0242.4047.0057.7352.6937.4830.0434.8433.6038.9843.8250.1756.4549.7930.1429.9928.2931.1730.0432.6237.1834.8832.3633.3335.2729.9830.0027.4828.8524.9929.4129.4130.0625.3527.0227.5423.7229.9228.3326.24	CONCONCCCCCCCCCONCCCOOCONCCCCOOCONCCCCCCCCCONCCCCCCCCCONC

原子	3686	CB	THR A	231	26.548	21.283	25.720	1.00	32.86	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	368836903694369536973698370037033706370937123716371737193720372237253727372837303731373337353737374137423744374537473749375137553756375837593761376437653767376937713773377537763778377937813784378737883792379337953796379838013802	OG1CG2CONCACBCGCDCENZCONCACBSGCONCACBOG1CG2CONCACBOG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBCGSDCECONCACBCGND1	THR ATHR ATHR ATHR ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ACYS ACYS ACYS ACYS ACYS ACYS ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATHR APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AMET AMET AMET AMET AMET AMET AMET AMET AHIS AHIS AHIS AHIS AHIS A	231231231231232232232232232232232232232233233233233233233234234234234234234234235235235235235235235236236236236236236236236236236236237237237237237237237237238238238238238	27.41627.37824.89425.27823.75322.86721.58521.75820.37620.50119.24022.49322.47222.19821.82721.34819.71422.94922.66824.20825.32826.66826.98126.60925.43026.00324.81724.71423.85824.60523.45824.09824.47323.15822.49221.02720.41720.22519.70219.40919.63520.14923.12722.59024.25724.94725.38124.25824.84723.28726.15627.20225.97526.92026.42627.06028.323	22.41619.99519.85818.84019.90418.73919.01819.13419.15319.49019.14718.35217.17419.36519.13720.44420.96918.48017.71418.73818.17118.81218.62920.26216.66415.99716.10614.64814.29914.62912.79913.99812.89814.69614.20114.59614.18515.10214.70113.36312.44412.85114.65814.38315.36015.83317.26218.24319.85920.63714.94915.05214.06213.00912.25610.91910.592	25.60126.00424.50323.94625.18325.23126.01627.53428.24629.74130.49023.82723.49223.00621.61020.96021.55920.79219.88421.13920.35820.69622.09020.36220.46919.58821.50821.63722.84524.02022.82020.41720.03819.79718.62618.71520.01821.02922.23922.45821.46920.26417.32116.27317.39216.18616.38616.40816.88117.31815.88916.52814.92714.61413.37613.15613.598	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	27.1832.5128.1528.8132.2135.1140.2849.9852.1556.7758.2031.3028.5729.1629.7432.3529.3123.8827.1423.4023.9528.5233.8822.4029.9425.0228.6628.5032.7731.2737.5330.1631.6627.2227.8431.6034.6034.8040.9836.7638.2833.4726.5434.2727.6825.7026.2024.9130.5428.1022.8124.4823.4526.0227.1623.5531.30	OCCONCCCCCNCONCCSCONCCOCCONCCOCCONCCCCCCCCCONCCCSCCONCCCN

原子	3804	CE1	HIS A	238	28.613	9.358	13.214	1.00	26.67	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	380638083810381138133814381638193820382238243825382738293831383238343835383738403841384338453846384838503852385338553856385838613864386738683869387038723875387738783880388138843885388738883890389338963897389838993900390239033905	NE2CD2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCDCONCACBOGCONCACONCACBCGCDOE1OE2CONCACB	HIS AHIS AHIS AHIS ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APRO APRO APRO APRO APRO APRO APRO ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AHIS AHIS AHIS A	238238238238239239239239239239239239239239239239240240240240240240240240240240240240241241241241241241241242242242242242242243243243243244244244244244244244244244245245245	27.58026.60728.33329.29828.43929.70129.55629.14727.94127.58028.43828.17129.63129.96330.14431.01429.56229.95829.03929.19128.76028.92029.49529.63929.94129.79731.40531.76932.25833.65834.26833.43232.04933.84533.29634.57134.66333.54732.24936.00536.77336.27437.47938.72438.83239.65540.84941.87641.67442.35741.87243.35740.53141.33839.34738.98438.555	8.8759.83713.52312.86714.67415.13015.19513.88513.73112.48911.40410.14311.57012.78116.46117.07016.89718.13218.49219.92420.92922.23522.58623.92521.61320.28618.07017.19018.98218.87720.09120.23620.06518.93119.80217.96617.90417.00917.34617.39116.85817.52916.97717.61818.84516.79317.32816.21615.37313.98313.06913.81418.12218.91217.93518.63417.595	12.54112.47714.34614.71113.68513.11711.60611.01810.3309.7819.9589.44310.61411.16313.66313.10114.78515.39516.56316.95616.10116.41017.59617.84918.48818.15215.85916.63015.36015.71815.02513.81714.38617.22417.87617.78119.23619.80819.31819.64918.82820.94221.54120.98820.93320.53119.90219.66218.42218.48517.75419.24718.61218.15818.04716.80415.770	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	27.8923.7428.7626.5823.0024.7527.0625.9628.8326.2132.1134.8129.5025.1224.3626.5321.1420.9126.3325.7124.6719.7021.0120.6423.1425.4524.8124.2721.9522.1624.2622.2423.6521.8319.2422.3921.0523.9424.4325.9624.4730.4432.9131.1329.9230.7634.2040.7048.8253.1255.1253.0831.1829.9827.6530.3229.09	NCCONCCCCCCOCCCONCCCCCCOCCCONCCCCCONCCOCONCCONCCCCOOCONCC

原子	3908	CG	HIS A	245	39.681	16.701	15.360	1.00	27.88	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	390939113913391539173918392039213923392639293932393539393940394239433945394839493950395339543956395739593962396439683972397339753976397839813983398739913992399439953997400040034006400840094012401540164018401940214024402640304034	ND1CE1NE2CD2CONCACBCGCDCENZCONCACBCGOD1ND2CONCACBCGCD1CD2CONCACBCGCD1CD2CONCACBCGCDNECZNH1NH2CONCACBCGCD1CD2C	HIS AHIS AHIS AHIS AHIS AHIS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AASN AASN AASN AASN AASN AASN AASN AASN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ALEU ALEU ALEU ALEU ALEU ALEU ALEU A	245245245245245245246246246246246246246246246247247247247247247247247248248248248248248248248249249249249249249249249250250250250250250250250250250250251251251251251251251	39.63240.78441.58140.92337.95337.36037.80836.82836.67437.71137.57536.21235.87737.19236.37538.42638.85340.36941.16940.81942.24038.52838.79037.98337.68238.00739.47139.67740.37136.22435.33035.98034.62034.64434.89135.17333.64933.93232.71934.71034.16034.01433.14732.88432.09231.99432.65031.28035.05836.27634.42735.10934.15234.79335.76833.70835.731	15.32714.81215.80216.99719.73920.24320.16821.19421.30222.17922.19622.75424.14222.57723.49222.74023.98924.16022.97621.80023.29124.04625.06022.96722.90221.51421.07819.66422.06323.25923.00723.83724.15525.23726.64627.50327.10822.92022.84021.99420.75220.79021.84121.71620.56420.11020.69119.06519.58319.67018.46017.18916.09014.76914.99213.69116.808	15.48215.07814.70714.89917.00216.04018.25518.60920.13220.80622.34522.81922.33018.03618.06517.56616.92017.08116.47516.67915.72615.41414.75014.86413.43612.87912.99812.44512.28813.17913.99812.01811.60910.54811.0409.85211.81811.06211.10310.4869.9088.3667.8506.3545.9854.7443.7474.50010.20010.02710.54710.67611.16311.59412.78811.9129.364	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	30.2832.3728.3928.0829.4925.9528.1031.9128.1037.3944.8351.5457.2229.8123.6629.9532.4437.2941.6642.0947.7032.4833.2430.5927.0431.2531.3230.9429.8227.4825.0123.1123.5523.0125.4722.3127.9618.0320.4718.6519.2616.9320.8515.3013.4214.2219.8517.9921.6120.8624.3422.6726.2730.3229.8733.2121.56	NCNCCONCCCCCNCONCCCONCONCCCCCCONCCCCCCONCCCCNCNNCONCCCCCC

原子	4035	O	LEU A	251	36.770	16.170	9.353	1.00	21.95	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	403740384040404440454047404840494050405140524053405440554056406640674069407140734077407840804081408340864088409240964097409941004102410541084111411441184119412141224124412741304133413441354136413841414142414341444145414741484150	NCACBCONCACBSGSDCECZOHCONCACBOG1CG2CONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCGCDCONCACBCGOD1OD2CONCACB	ALA AALA AALA AALA AALA ACME ACME ACME ACME ACME ACME ACME ACME ACME ACME ATHR ATHR ATHR ATHR ATHR ATHR ATHR ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS APRO APRO APRO APRO APRO APRO APRO AASP AASP AASP AASP AASP AASP AASP AASP APRO APRO APRO A	252252252252252253253253253253253253253253253254254254254254254254255255255255255255255255256256256256256256256256256257257257257257257257258258258258258258258258259259259	35.11135.59634.59137.00737.72937.41738.79938.97037.92538.12836.54436.80637.47439.83441.01439.37440.21239.77938.47939.78640.20240.84739.48839.40038.58637.08536.74036.55940.76841.59540.99442.29842.85643.09443.92144.06344.67242.15641.08043.25443.27844.77145.25144.57042.69742.91741.88941.09039.92338.96938.89338.25140.58739.61741.27640.94941.831	17.23616.95917.50817.48716.95918.50418.95120.19721.58621.64620.95420.14821.02417.86718.01916.80315.72215.26414.63516.42714.47313.49314.50513.35013.65513.52613.71212.16912.92313.74311.62211.17410.20410.87912.17212.88414.24410.57610.10510.5889.9489.95511.20411.1968.5397.8258.2147.0087.0945.8965.1975.6916.9917.6716.2616.2335.110	8.2596.9275.8466.6925.8727.4447.4278.3067.7815.7335.1603.9143.0107.8367.5458.5068.99510.43510.41711.3818.1078.4546.9826.0774.8244.7543.2685.3365.5945.2155.5425.1426.1897.5527.4388.7868.6303.7933.4533.0011.7051.3551.9583.3011.7632.7210.7720.7161.7271.6620.6332.650-0.722-1.028-1.615-3.045-3.597	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	19.5618.2419.4319.5720.8519.3019.9022.6826.8736.1231.9130.4337.5621.4326.7621.7724.9119.8222.6623.7223.1420.3120.4223.3023.4730.0726.0323.9524.9019.4822.5622.6330.8232.5739.1642.1142.1217.3819.4721.8722.9623.8023.0426.3622.7318.1023.5922.5025.8224.1027.8633.7320.5925.5822.8826.2728.82	NCCCONCCSSCCOCONCCOCCONCCCCCCONCCCCCNCONCCCCCONCCCOOCONCC

原子	4153	CG	PRO A	259	42.967	5.003	-2.630	1.00	28.37	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	415641594160416141624164416741704171417241734174417641774179418241844188419241934195419641984201420442054206420742084210421142134216421942204224422542274228423042334235423642384239424142444246425042544255425742584260426342664267	CDCONCACBCGCDOE1OE2CONCACBCGCD1CD2CONCACBCGCDOE1OE2CONCACBCGSDCECONCACBOGCONCACBCGCD1CD2CONCACBCGCDOE1	PRO APRO APRO AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AMET AMET AMET AMET AMET AMET AMET AMET ASER ASER ASER ASER ASER ASER ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLN AGLN AGLN AGLN AGLN AGLN A	259259259260260260260260260260260260261261261261261261261261262262262262262262262262262263263263263263263263263264264264264264264265265265265265265265265266266266266266266	42.47539.49138.95038.88337.52237.24035.95535.70234.89436.37036.54435.65136.72635.95236.28135.49633.97935.92536.17235.24237.41137.65339.15339.42340.84341.39241.34237.04736.51837.13636.49236.69437.80238.00636.32434.98634.41834.35732.96032.55031.26932.61231.69733.37733.14734.00533.80234.61232.28633.41532.67834.43334.85836.17236.05637.16837.009	5.4495.9686.6075.0274.6133.3502.6541.5581.7880.5045.7056.0366.2817.4357.8509.0638.8129.4008.6209.2538.91910.04110.31211.51412.00212.46611.9819.85710.7998.6498.3356.8576.5564.7564.2418.6409.1348.3048.5907.8138.14610.10810.58810.84612.29112.82812.08712.73112.01013.11114.08312.73513.58813.09711.84911.73612.043	-1.304-3.401-4.271-2.716-3.001-2.204-2.515-1.493-0.549-1.616-2.640-3.428-1.452-1.0410.3990.9680.9092.398-1.994-2.437-2.330-3.220-3.341-4.205-4.090-5.118-2.952-4.594-5.184-5.125-6.413-6.764-7.756-7.993-8.329-6.393-7.361-5.275-5.030-3.790-3.411-4.894-5.531-4.105-3.922-2.746-1.424-0.308-1.038-5.175-5.460-5.948-7.076-7.682-8.527-9.507-10.704	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	24.0121.1318.5621.6625.8628.4143.3051.8758.8454.9421.3725.7922.7722.0022.5024.6918.8120.2621.0116.0922.4217.6814.3518.3317.5317.9115.4318.5216.1920.6922.6825.3234.2844.4144.2822.1221.8923.7623.6123.0933.2922.2421.3319.3819.6016.7519.2518.6019.7617.6321.9818.7018.4818.7622.1929.5443.70	CCONCCCCOOCONCCCCCCONCCCCOOCONCCCSCCONCCOCONCCCCCCONCCCCO

原子	4268	NE2	GLN A	266	38.306	11.351	-9.028	1.00	20.14	N
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	427142724274427542774280428342864289429342944296429742994302430343054307430843104312431443154317431843204322432643304331433343344336433943424343434743484350435143534356435943604361436243634365436643684371437343744376437743794381	CONCACBCGCDCENZCONCACBCGCD1CE1CZOHCE2CD2CONCACBCG1CG2CONCACBCGSDCECONCACBCGCDOE1OE2CONCACBOGCONCACBCG1	GLN AGLN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AVAL AVAL AVAL AVAL AVAL AVAL AVAL AMET AMET AMET AMET AMET AMET AMET AMET AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ASER ASER ASER ASER ASER ASER AILE AILE AILE AILE A	266266267267267267267267267267267268268268268268268268268268268268268269269269269269269269270270270270270270270270271271271271271271271271271272272272272272272273273273273	33.77833.69032.92231.87131.18332.02931.21732.10633.05330.82230.04930.81929.86429.55528.74229.35028.61127.23626.49226.59427.35930.35929.59631.62232.30633.58534.33833.24832.69933.12432.58132.94932.62331.19331.00532.00934.45235.26434.82036.21036.35036.58636.81535.94637.86137.07238.22836.50137.22036.38935.16437.61638.67736.77937.09035.83134.740	13.67914.66012.65912.55411.19010.0018.7297.5657.25113.64013.91014.27115.34215.37814.23213.04911.98512.09611.03713.27714.34016.70417.65616.77818.02518.08019.35717.89018.10617.10419.29819.52920.95721.35423.15723.55819.34019.64718.90318.58317.83518.75218.00318.11217.32419.85019.77921.00722.25123.39623.55422.57123.13522.17122.36522.10423.127	-8.156-8.881-8.204-9.182-9.088-9.551-9.502-9.887-8.817-8.987-9.907-7.819-7.512-6.033-5.545-5.166-4.685-4.578-4.110-4.922-5.414-7.923-7.918-8.320-8.554-7.685-7.919-6.159-10.023-10.610-10.607-12.007-12.424-12.328-12.352-13.788-12.227-11.355-13.419-13.719-15.066-16.256-17.573-18.471-17.714-13.679-13.310-14.027-13.984-14.596-13.902-12.554-12.325-11.592-10.177-9.298-9.601	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	15.8320.0118.1918.2019.2324.9425.1734.3743.6719.6617.5619.1121.0019.2018.8722.6820.7318.7024.1420.4524.1020.8721.3319.8921.5124.1429.3423.8623.7222.2121.4625.6929.8939.8753.8544.3526.9321.5222.9930.0935.6945.0353.9057.4656.4425.4422.9522.3624.9928.3935.1826.1121.1620.4616.7522.6826.37	CONCCCCCNCONCCCCCCOCCCONCCCCCONCCCSCCONCCCCOOCONCCOCONCCC

原子	4384	CD1	ILE A	273	35.178	24.529	-9.417	1.00	30.71	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	438843924393439543964398440144034407441144124414441544174420442344264429443344344436443744394442444544464447445044514453445444564458446144654469447044724473447544784479448044814482448444854487449044914492449544964498449945014504	CG2CONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCGCD0E1NE2C0NCACBCG1CD1CG2CONCACBCGOD1OD2CONCACBCGOD1ND2CONCACBCG	ILE AILE AILE ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AILE AILE AILE AILE AILE AILE AILE AILE AASP AASP AASP AASP AASP AASP AASP AASP AASN AASN AASN AASN AASN AASN AASN AASN ALYS ALYS ALYS ALYS A	273273273274274274274274274274274275275275275275275275275275276276276276276276276276276277277277277277277277277278278278278278278278278279279279279279279279279280280280280	36.15638.18739.10738.03839.03138.57737.30136.97237.49640.40641.43840.42241.68441.47442.74642.59043.93643.77742.33243.53541.52942.05341.02741.42840.29239.85939.80042.46843.51341.66942.00840.87939.78038.49641.42043.31644.12543.55544.78244.49443.64443.73142.92246.00347.07345.83346.84648.02747.62148.07346.76847.34548.53646.43846.75046.40347.395	22.17621.41721.80220.16319.10917.77117.16115.76917.04919.53319.42120.09420.64021.22421.12421.83222.03922.04021.66821.63622.6923.57924.69625.74226.73426.87827.39222.93223.25621.99121.24820.27221.04720.33019.06720.48420.35520.01519.25218.28817.09116.67716.54920.13719.64821.44122.45222.33622.55921.85323.54522.34922.57422.03022.03220.68319.566	-7.820-9.733-9.002-10.119-9.822-10.424-9.809-10.423-8.323-10.346-9.632-11.549-12.097-13.496-14.346-15.675-16.367-17.847-11.176-10.942-10.623-9.725-9.504-8.491-8.194-7.040-9.230-8.422-7.898-7.918-6.693-6.299-5.573-5.492-5.460-6.862-5.921-8.073-8.349-9.483-9.021-7.829-9.861-8.663-9.065-8.444-8.740-7.774-6.3S2-5.446-6.137-10.142-10.399-11.054-12.479-13.106-12.656	1.001.001.001.001.001.001.001.001.001.001.001.OO1.001.001.001.OO1.001.001.OO1.OO1.001.OO1.001.001.OO1.001.001.OO1.001.001.OO1.001.001.OO1.001.001.OO1.001.OO1.001.001.OO1.001.001.001.001.OO1.001.001.001.OO1.OO1.OO1.OO1.001.001.00	20.6213.8917.3415.9918.3217.1317.9217.5318.6816.7416.9621.4222.7026.7130.5737.3538.5640.1223.8520.3122.0624.9626.6234.6734.3046.4031.2021.2223.6119.2818.0418.1419.1414.3718.0720.8623.6316.0922.1418.1920.1015.6323.6923.1823.0027.7125.9327.3131.4938.6827.5923.8726.7824.7228.0928.2333.67	CCONCCCCCCONCCCCCNCONCCCCONCONCCCCCCONCCCOOCONCCCONCONCCC

原子	4507	CD	LYS A	280	47.128	18.267	-13.390	1.00	39.10	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	451045134517451845204521452345264529453045314534453545374538454045434545454945534554455645574559456245654566456745704571457345744577457845804581458345864587458945914592459445964598459946014602460446074609461346174618462046214623	CENZCONCACBCGCDOE1NE2CONCACBCGCD1CD2CONCACBCGCDOE1NE2CONCACONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1CD2CONCACB	LYS ALYS ALYS ALYS AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLY AGLY AGLY AGLY ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ASER ASER ASER A	280280280280281281281281281281281281281282282282282282282282282283283283283283283283283283284284284284285285285285285285285285285285285285286286286286286286286286287287287	48.22248.25246.07446.11445.48944.91643.47742.55041.12640.76140.34445.03944.98345.25645.39645.62546.96747.05648.11544.15043.04544.33743.23043.76444.73544.07543.00544.71242.17541.11142.46741.55240.96940.24341.25140.84541.49041.20041.93341.67240.67140.41039.93540.19939.31838.81538.59137.16336.74737.35437.08536.79836.31435.09536.92736.18836.816	17.20516.74923.20223.29824.10825.32325.03826.20625.97726.61225.04826.39026.09927.62328.75430.01730.04331.20130.11128.89428.77529.16029.12829.19828.05726.67026.48125.70230.20930.16431.18032.28132.24833.15231.17331.00329.69829.37029.96329.65628.74628.44428.13928.44830.94431.28930.50030.26928.98827.69026.53927.37831.42831.37232.46933.69434.457	-13.115-11.684-13.199-14.403-12.428-12.961-13.417-13.729-13.127-12.109-13.727-11.867-10.666-12.296-11.390-12.223-12.980-13.989-11.978-10.504-10.998-9.208-8.221-6.774-6.397-6.395-5.808-7.056-8.427-7.799-9.289-9.555-10.939-11.318-11.665-13.054-13.560-15.005-16.032-17.360-17.664-18.975-16.663-15.346-13.294-14.373-12.285-12.410-11.649-12.197-11.248-13.580-11.952-12.119-11.386-11.075-9.933	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	40.4338.4425.6131.8227.0926.1431.1534.9744.5249.8430.7226.3123.3527.4530.3429.9635.8236.4632.8733.5431.4435.4340.5642.6448.4650.7153.1550.1740.7846.5940.2139.4238.1137.1635.8437.0639.5147.9152.5256.7255.9164.2153.8852.4334.5728.5432.8036.5535.4636.6637.5435.9032.5136.7530.8427.5327.99	CNCONCCCCONCONCCCCCCONCCCCONCONCCONCCCCCCOCCCONCCCCCCONCC

原子	4626	OG	SER A	287	36.689	33.699	-8.771	1.00	34.21	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	462846294631463246344637464046414642464346444646464746494652465446584662466346654666466846714674467746794680468346864687468946904692469546984701470247034704470647084712471647174719472047224724472647304731473347344736473847414745	CONCACBCGCDOE1OE2CONCACBCGCD1CD2ONCACBCGCDNECZNH1NH2CONCACBCGCDCONCACBCG1CG2CONCACBOG1CG2CONCACBCG1CD1CG2	SER ASER AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG APRO APRO APRO APRO APRO APRO APRO AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATHR ATHR ATHR ATHR ATHR ATHR ATHR AILE AILE AILE AILE AILE AILE A	287287288288288288288288288288288289289289289289289289289290290290290290290290290290290290291291291291291291291292292292292292292292293293293293293293293294294294294294294	36.19137.24335.02934.96535.52234.91635.51635.36236.14533.55132.59133.45232.21532.06831.96431.95030.75132.37333.34731.44931.59332.04232.36432.73533.29834.48335.30334.86230.24329.21530.23429.01429.39130.84731.39928.68629.52527.46326.97927.04928.47526.02625.52724.86725.04823.63523.34823.82221.79923.16823.76322.10721.43320.86021.93423.17820.186	34.55735.09734.69635.42834.55933.18832.33431.08132.92735.88435.32336.96337.39138.90439.50241.04138.97636.86337.16635.99935.18533.80232.83631.49330.56130.69731.71029.78535.08034.92335.14434.96835.50435.20135.37433.50632.68733.19031.83331.21031.33431.82031.82932.89030.62830.37729.74430.59729.51629.43228.37529.84329.07430.00230.96330.23329.186	-12.295-12.686-12.914-14.183-15.318-15.383-16.516-16.478-17.429-14.479-13.956-15.244-15.898-15.916-14.529-14.561-13.784-17.293-17.971-17.679-18.862-18.414-19.478-18.827-19.799-20.399-20.114-21.289-19.543-18.844-20.898-21.674-23.055-23.162-21.780-21.737-22.112-21.341-21.337-19.892-19.305-18.955-21.823-21.931-22.094-22.327-23.682-24.716-23.852-21.258-21.039-20.587-19.554-18.447-17.921-17.236-17.289	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	26.9725.9924.8325.6429.5635.0941.5139.5744.0625.8922.1224.5927.3729.2328.9837.4629.3430.7833.8832.4032.7640.2643.7153.2859.7964.9566.7767.5329.5524.0033.3130.7931.0337.1634.8728.1830.8525.1927.8327.1124.0924.1929.1429.4323.4625.7827.7232.5228.6220.7328.2020.6719.6621.5823.2522.0215.52	CONCCCCOOCONCCCCCCONCCCCNCNNCONCCCCCONCCCCCONCCOCCONCCCCC

原子	4749	C	ILE A	294	20.288	28.351	-20.225	1.00	22.64	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	475047524753475547574761476547664768476947714774477547774779478147834785478647884789479147934797480148024804480548074810481148124815481648184819482148244826483048344835483748384840484348464847485148524854485548574860486148634865	ONCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBCG1CG2CONCACBCGOD1ND2CONCACBCGCD1CD2CONCACBCGSDCECONCACBCGCD1CE1CZ	ILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASN AASN AASN AASN AASN AASN AASN AASN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AMET AMET AMET AMET AMET AMET AMET AMET APHE APHE APHE APHE APHE APHE APHE A	294295295295295295295295296296296296296296296296296296296297297297297297297297298298298298298298298298299299299299299299299299300300300300300300300300301301301301301301301	19.46720.23119.08919.52618.35120.16818.53019.16017.38916.82516.45116.82316.59616.89917.42417.64117.32315.65114.68215.79314.85415.62014.64316.51414.00914.54112.69111.80610.8959.98010.4428.68110.97110.38810.95110.16511.05412.27413.09811.8569.0699.3627.8126.7295.6266.0206.1916.3156.1795.9585.9825.4266.3127.7358.70610.02210.377	28.98127.04026.21925.12224.18225.74525.66624.82626.19725.86327.13827.12826.02026.03327.15728.27228.25524.95425.36423.69722.62621.35020.19821.67122.26921.94622.36022.01423.16922.82622.55222.81720.83220.82319.82118.61917.39317.34916.11817.37318.60818.67118.59418.50219.51020.92721.16222.95017.10016.46516.62215.31214.53814.41315.29015.18114.196	-20.932-20.015-20.393-21.340-21.746-22.585-19.089-18.432-18.676-17.394-16.650-15.166-14.373-13.023-12.471-13.250-14.575-17.678-18.333-17.269-17.584-18.032-18.401-19.199-16.357-15.316-16.473-15.383-15.008-13.846-12.733-14.104-15.794-16.870-14.936-15.169-15.038-15.976-15.606-17.487-14.119-12.932-14.537-13.560-13.840-13.494-11.714-11.590-13.516-14.551-12.302-12.070-11.088-11.536-11.064-11.478-12.388	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	23.5020.2421.2621.0721.9924.1725.6124.7320.7622.4722.2422.0626.0829.6530.8128.5330.1624.3422.7422.3222.6724.5219.7123.3827.5927.5230.0231.2233.8435.5935.4037.6933.6734.0432.8233.9532.4833.1630.9124.8334.5133.0137.6645.0648.2556.3070.9068.8642.0745.4545.4253.3152.0150.4050.7751.1849.21	ONCCCCCONCCCCCCCCCONCCCCCONCCCONCONCCCCCCONCCCSCCONCCCCCC

原子	4867	CE2	PHE A	301	9.407	13.321	-12.873	1.00	52.47	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	486948714872487448754877488048834884488548864887488948904892489548964897489848994901490249044907491049114912491549164918491949214924492549264927492849304931493349364939494249454949495049524953495549594960496249634965496849714972	CD2CONCACBCGCDOE1OE2CONCACBCGOD1OD2CONCACBCGCDOE1NE2CONCACBCGOD1OD2CONCACBCGCDCENZCONCACBCONCACBCGCDOE1	PHE APHE APHE AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AASP AASP AASP AASP AASP AASP AASP AASP AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AASP AASP AASP AASP AASP AASP AASP AASP ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AALA AALA AALA AALA AALA AGLU AGLU AGLU AGLU AGLU AGLU A	301301301302302302302302302302302302303303303303303303303303304304304304304304304304304305305305305305305305305306306306306306306306306306307307307307307308308308308308308	8.1014.0183.6713.2091.8971.159-0.269-0.925-2.002-0.3672.0251.1273.1423.4023.3672.8243.5741.6484.7515.7324.7985.9515.5114.1343.6932.5104.6526.9008.0676.3827.1986.4645.9636.6124.9157.5378.3656.9007.1795.9244.8003.5492.3371.0678.3338.1219.54610.77211.98710.69711.3209.9319.8108.6818.8948.5927.513	13.43515.46716.49414.43514.34413.12712.91111.69411.27411.15214.23714.66713.66613.44011.93011.61311.78911.19114.05013.96814.64015.47516.84716.95118.40918.73819.28314.82814.56514.59614.27214.74516.19617.00716.52112.77312.36011.97210.5369.7769.7989.0889.4059.06410.27810.13310.2219.9249.8918.6108.4817.6536.2945.5205.3046.5477.158	-12.446-11.504-10.909-11.703-11.070-11.643-11.153-11.798-11.321-12.781-9.539-8.814-9.067-7.634-7.344-5.964-4.982-5.866-7.199-7.941-5.998-5.575-4.996-4.296-4.085-4.196-3.797-4.572-4.874-3.373-2.209-0.947-1.064-1.766-0.459-2.130-1.306-2.992-3.110-3.560-2.526-3.028-2.163-2.862-4.081-5.290-3.528-4.281-3.329-5.066-6.126-4.537-5.089-4.381-2.870-2.028-2.214	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	49.0861.8061.3672.7480.5283.3485.9388.3490.8291.0184.8984.6391.3295.2696.8697.7999.1997.1797.2697.5999.65101.53103.19104.53105.38105.46106.68101.65100.70101.23100.15100.59100.9199.94102.2499.4499.4997.2794.8295.2396.4796.0595.5194.8091.1989.5287.4886.0585.5084.3485.6080.9577.9179.0080.6281.2680.61	CCONCCCCOOCONCCCOOCONCCCCONCONCCCOOCONCCCCCNCONCCCONCCCCO

原子	4973	OE2	GLU A	308	9.441	6.916	-1.184	1.00	79.95	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	497449754977497849804983498649874988498949904992499349954997500050045008500950115012501550165018501950215024502750305031503250335035503950405042504350455047505050545058505950615062506450675070507150725075507650785079508150845085	CONCACBCGCDOE1OE2CONCACBCG1CD1CG2CONCACONCACBCGCDCONCACBCONCACBCG1CD1CG2ONCACBCGCDOE1NE2CONCACBCGOD1	GLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY APRO APRO APRO APRO APRO APRO APRO AALA AALA AALA AALA AALA AILE AILE AILE AILE AILE AILE AILE AILE AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AASP AASP AASP AASP AASP A	308308309309309309309309309309309310310310310310310310310311311311311312312312312312312312313313313313313314314314314314314314314315315315315315315315315315316316316316316	9.54010.1508.6278.1976.7075.8194.3483.7383.8099.0069.3669.2969.9949.78910.48110.2558.30611.48212.05912.08113.47813.90214.77313.29513.58012.60712.16312.34713.35814.06912.36912.05510.71213.18513.62313.64514.71314.86413.58913.46616.13915.98916.68116.27017.42317.51218.56619.98720.86320.24217.38018.36916.24216.11114.76914.68013.536	6.2905.5307.1527.1937.5336.4426.8046.7557.1308.1847.8919.35110.38711.80311.95013.31212.10110.03810.2919.4318.9958.4098.9747.2656.6785.4995.2176.4537.6507.5908.5229.49410.19310.54010.87911.03112.01712.58713.37013.70713.47211.39212.00010.1619.4338.0727.1027.5717.2378.3039.2899.6028.8438.6878.0386.5656.049	-6.585-7.333-7.011-8.400-8.454-7.850-7.868-8.963-6.782-9.245-10.396-8.680-9.428-8.815-7.465-6.826-8.649-9.596-10.652-8.572-8.620-9.955-10.637-10.349-11.669-11.767-10.370-9.559-12.833-13.838-12.700-13.751-13.428-13.899-14.996-12.763-12.727-11.308-10.938-9.482-11.166-13.284-14.127-12.854-13.318-12.595-13.144-12.971-13.774-11.903-14.837-15.521-15.378-16.835-17.201-16.768-16.690	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	72.8969.8469.2769.7073.0577.5779.9581.6181.0965.6665.3560.1958.5659.8562.1562.5462.0254.6653.6150.1845.4643.7833.6442.8337.9938.7641.1843.7535.9537.1237.0738.5137.7832.0633.4833.5330.2733.4332.6333.3833.0527.1926.6825.4824.5226.8024.5023.6533.1617.8229.5530.7132.1632.8640.2648.5958.08	CONCCCCOOCONCCCCCCONCCONCCCCCONCCCONCCCCCCONCCCCONCONCCCO

原子	5086	OD2	ASP A	316	15.735	5.922	-16.498	1.00	51.90	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	508750885090509150935097509851005101510351065107510951115112511451165118511951215122512451275130513151355136513851395141514451455147514951515153515451565157515951615164516851725173517551765178518051825186518751895190519251955197	CONCACBCONCACBCGCD1CE1CZOHCE2CD2CONCACBCGSDCECONCACBCGND1CE1NE2CD2CONCACBCG1CD1CG2CONCACBOG1CG2CONCACBOGC	ASP AASP AALA AALA AALA AALA AALA ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AMET AMET AMET AMET AMET AMET AMET AMET AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AILE AILE AILE AILE AILE AILE AILE AILE ATHR ATHR ATHR ATHR ATHR ATHR ATHR ASER ASER ASER ASER ASER A	316316317317317317317318318318318318318318318318318318318319319319319319319319319320320320320320320320320320320321321321321321321321321322322322322322322322323323323323323	16.24916.95915.60415.82215.01517.30817.86817.92719.33419.86421.35622.05623.43624.11725.49923.42922.06420.17821.03319.93520.74320.36520.71722.46423.07520.67121.69519.49219.37317.94317.84218.23518.04917.57017.43919.97120.72619.61120.12619.62518.13517.52920.36721.64722.23722.28623.73824.30725.69124.18324.31725.29023.70224.17623.43922.13824.069	10.01810.11911.05612.41613.45712.77313.24212.54712.87412.46912.48513.66113.68812.53912.51311.38011.35812.21412.86910.92110.1768.6837.9608.0526.77310.77910.89311.19511.81011.90212.37011.58512.25013.44613.55113.20613.53414.02415.38416.09616.39216.93817.39115.37816.12014.51514.42013.47913.77712.00614.08714.72513.14012.75211.50611.81513.908	-17.562-18.569-17.042-17.572-16.773-17.526-18.520-16.363-16.150-14.734-14.756-14.573-14.664-15.004-15.137-15.220-15.108-17.219-17.822-17.470-18.427-18.442-17.147-16.816-17.936-19.822-20.513-20.237-21.557-22.033-23.452-24.515-25.642-25.348-23.983-21.602-22.528-20.616-20.530-19.255-19.367-18.098-19.019-20.598-21.388-19.818-19.842-18.697-18.505-19.015-21.238-21.672-21.953-23.298-23.823-24.272-24.310	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	27.4229.7128.2628.3527.7028.9029.2027.4424.2326.4125.0631.0729.6834.6540.5033.0431.7926.8327.4627.5426.6527.4930.6430.1035.4726.2730.5129.2931.9834.8639.4036.4340.1543.2241.1231.3627.3430.1129.5230.9229.4627.1225.5430.7129.0827.9534.9636.1343.7239.7233.9030.4835.4036.4538.7939.9533.80	CONCCCONCCCCCCOCCCONCCCSCCONCCCNCNCCONCCCCCCONCCOCCONCCOC

原子	5198	O	SER A	323	25.001	14.156	-25.088	1.00	34.32	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	520052015203520552095213521452165217521952225224522852325233523552365238524152445247525052545255525752585260526252655269527352745276527752795282528352855287528952915293529452965297529953025305530653075310531153135314531753185320	NCACBCG1CG2CONCACBCGCD1CD2CONCACBCGCDCENZCONCACBCG1CD1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBCGCDOE1NE2CONCACON	VAL AVAL AVAL AVAL AVAL AVAL AVAL ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AILE AILE AILE AILE AILE AILE AILE AILE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLY AGLY AGLY AGLY AGLN A	324324324324324324324325325325325325325325325326326326326326326326326326327327327327327327327327328328328328328328328328328328328329329329329329329329329329330330330330331	22.95322.76221.34821.17820.29523.78824.49523.87724.81424.71723.37823.54622.82926.26227.03926.61628.00228.12729.45729.41530.54630.24928.43729.57327.51327.73126.39826.07324.61126.46228.29329.14227.84828.26727.05326.39125.18224.57025.18626.41127.00928.92728.89829.53230.24131.49332.39233.30432.88734.55529.34329.84428.02927.10527.31627.82626.918	14.63215.83616.42417.63215.37616.91717.42117.27018.30618.56019.05919.36720.26517.97318.88216.68216.22414.70214.04412.50511.73610.26016.57416.99016.38916.67616.47314.97214.69317.10318.10218.32119.04620.44921.28820.84820.17419.75319.97920.63721.06321.01122.21620.15020.58221.41020.84719.72518.83619.75121.39922.22721.17521.73621.07619.96521.761	-24.263-25.081-24.911-25.837-25.209-24.736-25.611-23.456-23.031-21.518-20.961-19.470-21.703-23.412-23.715-23.384-23.626-23.383-23.798-23.564-24.281-24.403-25.044-25.285-25.969-27.368-28.145-28.248-28.601-29.535-27.559-28.421-26.721-26.807-27.160-28.422-28.385-29.553-30.779-30.827-29.652-25.552-25.329-24.739-23.529-23.875-24.993-24.524-23.781-24.980-22.586-21.804-22.663-21.705-20.357-20.271-19.297	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	34.5634.9535.6539.0532.4135.1534.5733.7633.1531.3231.2831.7529.4936.2933.7236.2342.6344.4952.0857.2957.6355.6941.3740.2142.9549.2752.1751.3655.5055.8653.2852.0656.0356.2156.6962.1962.9164.1865.1664.4462.9954.9758.3054.1956.5960.5464.8568.2069.9171.4655.1256.2047.0742.2738.4638.1232.46	NCCCCCONCCCCCCONCCCCCNCONCCCCCCONCCCCCCCCCONCCCCONCONCCON

原子	5321	CA	GLN A	331	27.113	21.267	-17.944	1.00	35.08	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	532353265329533053315334533553375338534053425345534953535354535653575359536253635364536753685370537153735376537953825385538953905392539353955397540154055406540854095411541454155417541954215423542554265428542954315434543754385442	CBCGCDOE1NE2CONCACBCG1CD1CG2CONCACBCGOD1ND2CONCACBCGCDCENZCONCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBCGSDCEC	GLN AGLN AGLN AGLN AGLN AGLN AGLN AILE AILE AILE AILE AILE AILE AILE AILE AASN AASN AASN AASN AASN AASN AASN AASN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AMET AMET AMET AMET AMET AMET AMET A	331331331331331331331332332332332332332332332333333333333333333333333334334334334334334334334334335335335335335335335336336336336336336336336336336336337337337337337337337	28.23729.64930.35231.57129.59325.82425.19625.43124.46323.90323.33522.54222.83325.20326.14524.78825.33325.12826.37227.21326.51924.64925.27923.33822.56522.26123.47524.28325.33926.41521.27820.84820.69519.42619.58718.26120.65418.69319.31217.39716.59516.57616.99116.09216.49417.81218.70418.29015.19014.75214.51913.13913.05312.80611.13010.21112.317	22.05121.71820.65120.49919.91521.45422.51120.42720.59819.27318.46117.23219.53421.26420.68722.48123.22724.71625.50425.56926.10822.86522.78322.71422.43923.70624.62824.23325.35125.15621.78121.84821.09520.41318.90018.28618.56420.64620.62120.91320.95322.33123.45724.02625.07725.56125.00323.96420.49120.49620.05619.60018.14417.17016.55518.04620.460	-17.247-17.731-16.895-16.981-16.082-17.159-17.220-16.428-15.356-14.854-16.013-15.583-13.812-14.214-13.670-13.876-12.748-12.983-12.755-13.645-11.552-11.442-10.397-11.494-10.301-9.451-8.995-7.666-7.356-6.260-10.723-11.890-9.762-9.910-10.104-10.482-11.171-8.592-7.546-8.634-7.412-6.741-7.630-8.519-9.346-9.271-8.377-7.558-7.695-8.840-6.630-6.670-6.243-7.332-7.452-7.058-5.715	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	40.8148.0054.7163.2254.2133.5130.7929.4130.4531.4931.9631.3937.2933.8133.2528.4036.1938.4044.4352.1446.8836.0538.2235.3637.2538.9747.1744.6746.1939.4731.5432.1130.4030.5228.5023.2728.2138.2738.0745.2349.7755.4759.3463.1063.2663.1560.0862.2651.1346.7550.3251.8948.6552.2757.0063.1855.04	CCCONCONCCCCCCONCCCONCONCCCCCNCONCCCCCONCCCCCCCCCONCCCSCC

原子	5443	O	MET A	337	12.711	20.679	-4.571	1.00	51.05	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	544554465448545154525454545654585460546254635465546654685471547254735474547554775478548054835486548954925496549754995500550355045506550755095512551455155517551855205523552555265528552955315534553555375539554155435545554655485549	NCACBCGCD1CE1CZCE2CD2CONCACBCGOD1OD2CONCACBCGCDCENZCONCACONCACBSGCONCACBOGCONCACBCGCD1CE1CZCE2CD2CONCA	PHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLY AGLY AGLY AGLY ACYS ACYS ACYS ACYS ACYS ACYS ASER ASER ASER ASER ASER ASER APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ALEU ALEU A	338338338338338338338338338338338339339339339339339339339340340340340340340340340340341341341341342342342342342342343343343343343343344344344344344344344344344344344345345	11.18210.27310.72511.87611.74212.79513.98914.14013.0828.8848.7397.8806.4716.1356.7466.5617.4036.1315.4986.5736.3804.9043.9312.4841.5680.2247.2977.2028.1709.01210.51311.11411.13112.58312.98714.71513.24212.97214.13814.75214.54113.16416.22716.86916.74218.14718.36118.05016.73716.44717.48418.79419.07418.62918.13419.61320.282	20.93821.82023.28623.65423.58723.93724.37924.46824.10621.69221.87221.35921.47922.94323.94523.76724.91020.58721.04019.33218.38518.34517.57017.51716.91216.46818.66417.95519.67320.11119.93320.54719.12918.98617.53917.29219.85219.68620.74421.67823.12423.36821.38021.02921.49421.34620.31318.91318.49317.17416.26516.67617.99722.67823.15323.25324.461	-6.216-5.496-5.603-4.697-3.317-2.474-3.001-4.378-5.224-6.134-7.350-5.321-5.716-6.063-5.082-3.850-5.550-6.910-7.868-6.862-7.980-8.476-7.581-8.094-7.019-7.505-9.177-10.184-9.069-10.193-10.005-9.132-10.856-10.836-11.042-10.726-11.913-13.092-11.508-12.428-11.970-11.814-12.529-11.532-13.745-14.049-15.159-14.764-14.607-14.237-14.056-14.222-14.584-14.578-15.603-13.905-14.356	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	60.7465.5266.7369.7069.9172.3070.8972.4270.8068.3467.4270.8073.2476.2979.4779.5280.2671.9872.5469.2068.8772.7076.1979.9280.9482.2861.6160.1253.4149.0441.6141.6338.1835.5234.6338.4535.4136.8927.8631.9232.0538.9431.1027.4028.0226.3428.9128.0529.8031.3030.2033.1430.6726.0321.5921.0027.48	NCCCCCCCCCONCCCOOCONCCCCCNCONCCONCCSCONCCOCONCCCCCCCCCONC

原子	5551	CB	LEU A	345	20.772	25.258	-13.150	1.00	27.77	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	555455565560556455655567556 855705573557555765578557955815583558755915592559455955597560056015603560556075609561156125614561556185619562156225624562756285630563256345636563856395641564256445647565056535654565556565659566056625663	CGCD1CD2CONCACBSGCONCACBCG1CG2CONCACBCGCD1CE1CZCE2CD2CONCACONCACBCGCD1CE1CZCE2CD2CONCACBCGCDCONCACONCA	LEU ALEU ALEU ALEU ALEU ACYS ACYS ACYS ACYS ACYS ACYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AGLY AGLY AGLY AGLY APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APRO APRO APRO APRO APRO APRO APRO AGLY AGLY AGLY AGLY AGLU AGLU A	345345345345345346346346346346346347347347347347347347348348348348348348348348348348348349349349349350350350350350350350350350350350351351351351351351351352352352352353353	21.26321.63422.40321.44422.48221.26822.34221.83120.78922.98922.31624.30125.08125.93226.71225.03825.96726.66825.88426.75225.93425.07023.82923.03423.47524.72725.51127.65327.18928.93429.93830.88031.47431.01132.11631.80030.80430.03629.13028.96929.72230.63633.42033.37434.58635.89736.88736.17734.72936.30136.44236.49636.82837.13238.17436.23036.321	26.70027.25126.82724.03123.61524.08123.70122.79621.51424.91725.91124.83725.98026.56727.78226.90925.58224.54526.38926.28926.27525.07325.02223.89222.81022.85823.97427.51228.62527.28528.33528.33829.37127.20827.03025.95926.38525.42425.76927.09528.07927.72626.65625.99827.05226.92427.51627.44327.64525.48624.62925.23723.88923.70923.14224.17323.893	-13.308-11.918-14.273-15.223-14.707-16.544-17.465-18.574-18.013-18.089-18.341-18.321-18.775-17.619-18.083-16.399-19.957-19.932-21.005-22.169-23.458-23.602-22.983-23.106-23.866-24.480-24.336-22.171-21.906-22.437-22.466-21.264-20.962-20.566-19.609-18.561-17.512-16.865-15.889-15.541-16.174-17.156-20.342-21.395-19.776-20.462-19.442-18.111-18.428-20.847-19.966-22.146-22.622-24.107-24.455-24.980-26.429	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	30.7830.2732.6927.4428.6124.8321.5220.2527.6124.7026.6124.3623.3727.5423.3523.4727.8024.3626.3230.4930.1833.9933.6938.6437.1135.3229.6331.5129.8839.7249.4758.6159.5168.0277.4876.1973.9269.1063.1065.9368.5772.1985.6188.2994.0698.3197.9796.8094.41102.02103.87105.30108.10110.46110.37113.29114.95	CCCCONCCSCONCCCCCONCCCCCCCCCONCCONCCCCCCCCCONCCCCCONCCONC

原子	5665	CB	GLU A	353	35.405	22.714	-26.785	1.00	115.89	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	566856715672567356745675567756785680568356865689569256965697569957005702570457085712571357155716571857215724572757285729573057325735573657375738573957415742574457475750575157525753575457565757575957625764576857725773577557765778	CGCDOE1OE2CONCACBCGCDCENZCONCACBCG1CG2CONCACBCGCDCONCACBCGOD1OD2CONCACBCGCDOE1OE2CONCACBCGCD1CD2CONCACB	GLU AGLU AGLU AGLU AGLU AGLU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL APRO APRO APRO APRO APRO APRO APRO AASP AASP AASP AASP AASP AASP AASP AASP AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ATHR ATHR ATHR A	353353353353353353354354354354354354354354354355355355355355355355356356356356356356356357357357357357357357357358358358358358358358358358359359359359359359359359360360360	35.67237.04837.72337.45835.99935.15736.65736.64538.02338.37939.29639.55040.42835.53434.85135.38334.43335.07836.22735.56433.02032.58032.29331.07230.76431.84632.55829.83329.21029.47728.18828.05627.17026.14827.49527.00125.96127.18526.52127.13926.43327.18726.72828.25524.98424.35324.39622.99822.71223.47923.32923.05622.03921.09422.29721.55322.058	22.06921.44121.65420.73825.09925.95025.12926.29226.46125.41724.30823.25922.14626.26025.24527.39027.57927.12928.06125.67926.95626.15327.35226.61727.11628.08428.47826.77125.75428.00128.28027.41328.04028.66827.89028.06127.48328.60128.15028.91728.81329.58430.68829.10328.23127.35629.26529.61931.07532.10533.48932.10428.67428.17028.43027.43927.323	-28.149-28.251-29.279-27.303-27.338-27.005-28.502-29.406-30.085-31.162-30.644-31.725-31.263-30.471-30.641-31.172-32.296-33.663-34.048-33.611-32.110-32.940-31.040-30.664-29.237-28.874-30.125-31.573-31.891-31.972-32.667-33.937-34.994-34.629-36.194-31.690-32.031-30.490-29.266-28.069-26.695-25.604-25.220-25.140-29.218-28.609-29.826-29.549-29.933-29.095-29.686-27.610-30.259-29.652-31.537-32.286-33.736	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	116.18116.28117.15116.01115.47115.61115.07114.52114.94115.70115.71115.73115.25112.47112.49109.51107.04107.36107.19106.86103.52104.1198.2294.2495.0096.5397.8589.2687.3883.0577.6477.9677.4779.1374.8471.0469.1462.4859.6460.8160.8065.2467.1964.3355.1150.0046.9644.5441.2440.7033.6036.8143.2141.1541.4442.9642.64	CCOOCONCCCCCNCONCCCCCONCCCCCONCCCOOCONCCCCOOCONCCCCCCONCC

原子	5780	OG1	THR A	360	21.572	28.442	-34.489	1.00	44.46	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	578257865787578957905792579557965798580058025804580558075808581058145815581758185820582358255829583358345836583758395842584558465847584858495851585258545857585958605862586358655869587058725873587558785881588258865887588958905892	CG2CONCACBCGND1CE1NE2CD2CONCACBCONCACBCGCD1CD2CONCACBCGCDOE1OE2CONCACBSGCONCACBCONCACBCGSDCECONCACB	THR ATHR ATHR AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AALA AALA AALA AALA AALA ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ACYS ACYS ACYS ACYS ACYS ACYS AALA AALA AALA AALA AALA AMET AMET AMET AMET AMET AMET AMET AMET AASP AASP AASP A	360360360361361361361361361361361361361362362362362362363363363363363363363363364364364364364364364364364365365365365365365366366366366366367367367367367367367367368368368	21.55521.60820.59122.78222.93724.40925.16524.64025.52126.59926.39922.23421.70722.25621.53521.80420.01519.34819.48818.09117.69017.68417.42216.64917.77716.74218.66018.43819.37519.04920.09821.27119.72918.59117.86019.53619.62520.86122.35618.37517.82717.90916.67516.29815.53414.78415.39614.27214.17112.92611.38911.26614.38813.40315.60015.90617.403	26.03526.0815.40925.69424.40624.05023.87123.21023.2213.86424.28424.35723.30725.45825.49026.80725.27624.50825.95625.80826.82328.30829.06728.71424.37923.82923.77622.39522.03422.76822.61822.27722.88221.39820.40421.64120.82221.17520.66520.92619.89722.16222.38523.86921.57920.92021.62820.93021.35020.77121.30922.94419.41018.69718.91517.50317.313	-34.387-31.592-31.472-31.113-30.463-30.256-31.527-32.617-33.601-33.184-31.892-29.130-28.784-28.366-27.092-26.319-27.359-26.683-28.362-28.714-29.785-29.428-30.675-28.352-29.174-28.786-29.973-30.445-31.606-32.885-33.989-33.712-35.151-29.305-29.252-28.396-27.198-26.374-27.236-26.367-25.921-26.146-25.400-25.364-26.024-25.314-27.349-28.008-29.486-30.206-29.442-30.151-27.909-27.677-28.105-27.917-28.148	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	42.7141.4043.0142.3839.0544.0646.8654.5556.0353.9548.6537.2534.0030.1934.5831.1129.4429.4332.3829.4432.2733.2734.5732.9530.5931.5527.2232.4232.3439.3140.4045.3246.7231.3929.6327.2025.9429.6647.3024.5527.4524.2425.2224.0527.8625.6926.4227.5328.8329.0936.0937.1426.6930.5830.0827.5730.71	CCONCCCNCNCCONCCCONCCCCCCONCCCCOOCONCCSCONCCCONCCCSCCONCC

原子	5895	CG	ASP A	368	17.843	15.856	-28.073	1.00	33.64	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	589658975898589959015902590459065909591359175918592059215923592659275929593159335935593759385940594159435946594759485949595059525953595559585959596159635965596759695970597259735975597859805981598359845986598959915992599459955997	OD1OD2CONCACBCG1CD1CG2CONCACBCGCD1CE1CZCE2CD2CONCACBCGOD1OD2CONCACBCGCD1CE1CZCE2CD2CONCACBSGCONCACBOGCONCACB	ASP AASP AASP AASP AILE AILE AILE AILE AILE AILE AILE AILE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE AASP AASP AASP AASP AASP AASP AASP AASP APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ACYS ACYS ACYS ACYS ACYS ACYS ASER ASER ASER ASER ASER ASER AGLN AGLN AGLN A	368368368368369369369369369369369369370370370370370370370370370370370371371371371371371371371372372372372372372372372372372372373373373373373373374374374374374374375375375	18.83417.21115.48514.77015.92015.63016.33517.84218.68115.73014.14213.57613.51112.08311.61010.1359.5638.2047.3797.9319.30111.34910.47411.71811.04011.50910.99211.6189.96811.24610.30512.47412.73814.22614.55214.88215.19615.16914.84414.54312.03011.27612.22711.65412.17613.85910.1239.5269.4998.0497.6027.8167.4816.3718.2487.8228.262	15.50015.06017.06616.06417.83817.53518.45818.15019.24218.31117.59116.70218.62518.76919.98820.18420.88521.06120.54119.83119.65817.54017.04117.07615.96415.80016.87917.06917.53214.65113.90214.36113.11312.88611.59410.4489.2449.18310.31311.52313.15712.25614.23114.30515.53015.22914.23913.69314.74514.73815.48716.86713.32613.10812.38110.99810.386	-28.739-27.351-26.499-26.309-25.507-24.113-23.140-23.106-22.412-21.698-23.906-23.296-24.448-24.356-25.120-25.056-24.009-23.950-24.935-25.995-26.054-24.884-24.207-26.080-26.730-28.176-29.093-30.155-28.776-25.999-25.807-25.603-24.899-24.702-23.993-24.720-24.062-22.674-21.933-22.593-23.567-23.230-22.818-21.473-20.727-20.206-21.444-20.500-22.494-22.583-23.829-23.625-22.592-22.106-23.129-23.241-24.586	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	41.7340.7729.2026.0429.7124.9826.8130.3532.5522.5528.1027.6929.0929.5628.9230.1527.3831.7633.5438.3136.3433.5830.3134.2635.4334.3935.3741.6535.9036.0334.0438.2138.3341.1843.8344.8642.0840.1442.7743.2637.0335.1537.9239.9535.6734.9142.5440.2740.4045.3043.8443.0049.7656.3951.1952.7656.36	OOCONCCCCCCONCCCCCCCCCONCCCOOCONCCCCCCCCCONCCSCONCCOCONCC

原子	6000	CG	GLN A	375	8.306	11.319	-25.819	1.00	61.08	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	600360046005600860096011601260146016602060246025602760286030603360346036603860406042604360456046604860516054605760606064606560676068607060726075607960836084608660876089609260956096609761006101610361046106610861106114611561176118	CDOE1NE2CONCACBCG1CG2CONCACBCGND1CE1NE2CD2CONCACBCGCDCENZCONCACBCG1CD1CG2CONCACBCGCDOE1NE2CONCACBOG1CG2CONCA	GLN AGLN AGLN AGLN AGLN AVAL AVAL AVAL AVAL AVAL AVAL AVAL AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AILE AILE AILE AILE AILE AILE AILE AILE AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL AVAL A	375375375375375376376376376376376376377377377377377377377377377377378378378378378378378378378379379379379379379379379380380380380380380380380380381381381381381381381382382	7.0125.9827.0758.3447.9489.2229.60010.75610.85912.0928.3687.5528.2537.0837.0895.8974.6233.7824.4655.7927.0668.0935.9005.7036.5696.4095.3715.2516.3615.9335.5426.5456.7988.0519.31510.6178.1665.5845.2984.8793.6052.7151.2350.3680.556-0.5913.8143.1344.7645.0764.3112.9164.5546.5747.2307.0938.475	12.09911.93012.97010.1388.98110.6769.96510.66610.16410.4609.77210.6838.5648.1416.6126.0666.0845.5365.1585.4688.8078.8649.31610.0439.4937.9897.7096.2045.63311.54712.33811.95913.38713.63513.14913.37215.11913.96413.59914.86815.39015.81515.73516.22317.33615.39516.56616.67717.43918.63919.83619.51121.09218.99719.02019.29919.751	-26.108-25.444-27.118-22.080-21.953-21.233-20.010-19.250-17.794-19.995-19.099-18.925-18.539-17.757-17.595-16.865-17.396-16.534-15.466-15.652-16.393-15.717-16.008-14.753-13.594-13.284-12.183-11.867-11.026-14.915-14.044-16.024-16.252-17.118-16.402-17.208-17.438-16.955-18.084-16.289-16.805-15.642-15.952-14.802-14.290-14.392-17.753-18.782-17.404-18.198-17.670-17.625-18.571-18.209-17.151-19.404-19.561	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	69.7774.8071.8951.9749.8249.1148.5949.5348.9447.7551.5548.6954.3856.2561.4765.9371.2573.2071.5368.8253.4153.2648.3450.0853.4858.4861.7164.0663.0546.6344.3946.2944.4141.9539.8140.0942.9941.4445.1845.1245.8348.5956.2461.8367.3263.5744.2143.1945.1042.1341.2544.8036.4740.3240.6235.4131.97	CONCONCCCCCONCCCNCNCCONCCCCCNCONCCCCCCONCCCCONCONCCOCCONC

原子	6120	CB	VAL A	382	9.270	18.927	-20.556	1.00	33.24	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	612261266130613161336134613661396141614261446145614761496152615661606161616361646167616861706171617361756179618361846186618761896193619461966197619962026204620562076208621162126214621562176219622262266230623162336234623662386242	CG1CG2CONCACBOGCONCACBCG1CD1CG2CONCACONCACBCG1CG2CONCACBCONCACBOGCONCACONCACBCG1CD1CG2CONCACBCG1CG2	VAL AVAL AVAL AVAL ASER ASER ASER ASER ASER ASER AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY AVAL AVAL AVAL AVAL AVAL AVAL AVAL AALA AALA AALA AALA AALA ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL A	382382382382383383383383383383384384384384384384384384385385385385386386386386386386386387387387387387388388388388388388389389389389390390390390390390390390391391391391391	10.7369.2248.4217.6649.1869.2768.5687.27010.75211.48211.18612.60513.35713.08313.84514.85912.78112.31313.47313.85515.31716.17915.58516.92617.05718.53616.48617.21416.48618.25818.67518.24620.18120.85720.68722.09322.34222.01222.58021.94323.73124.25725.46625.96525.92227.09727.77828.43128.51428.81926.63125.68727.28326.96926.32325.03227.347	19.40717.46621.19421.53222.03423.46424.25523.78723.84423.44924.61825.02624.16622.67421.80124.42026.48526.92927.22828.61228.71428.11929.44329.60929.03929.08827.63531.10431.88231.51232.91133.54932.94032.01133.97634.09733.85932.52835.48736.48935.54236.79936.56435.44537.64937.64439.03439.29640.74039.10837.25537.84536.24235.81734.42334.39433.336	-20.612-20.171-20.026-20.947-19.333-19.600-18.523-18.332-19.575-18.631-20.580-20.712-21.764-21.539-22.501-21.709-21.083-22.129-20.233-20.526-20.910-20.252-21.991-22.538-23.980-24.493-24.060-22.554-23.203-21.830-21.770-20.454-21.932-21.515-22.593-22.930-24.412-24.784-22.575-22.893-21.940-21.438-20.548-20.423-19.949-19.121-19.088-20.435-20.770-17.941-17.755-17.208-17.199-15.841-15.825-16.679-16.273	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	27.8229.3934.3032.8229.2328.1425.3830.0329.7522.4527.4825.4424.1921.7823.4619.0526.1428.0323.7326.2427.1926.0025.4324.7026.7823.3024.3327.4124.4024.6325.2123.0930.9727.8827.9328.8327.2233.6727.2328.4627.1929.3429.1226.6830.0732.0931.6633.0337.7224.9828.9627.8429.4424.9325.4325.3926.61	CCCONCCOCONCCCCCCONCCONCCCCCONCCCONCCOCONCCONCCCCCCONCCCC

原子	6246	C	VAL A	391	28.273	35.784	-15.035	1.00	18.27	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	624762496250625262556256625862606262626462666267626962706272627562776278628062816284628562876288629062926295629963036304630663076309631163156319632063226323632663276329633063326335633663386340634263446345634763486350635263546358	ONCACBCGCD1CE1CZCE2CD2CONCACBSGCONCACONCACBCG1CD1CG2CONCACBCG1CG2CONCACONCACBCGND1CE1NE2CD2CONCACBOG1CG2C	VAL APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE ACYS ACYS ACYS ACYS ACYS ACYS AGLY AGLY AGLY AGLY AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL AGLY AGLY AGLY AGLY AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS ATHR ATHR ATHR ATHR ATHR ATHR A	391392392392392392392392392392392392393393393393393393394394394394395395395395395395395395396396396396396396396397397397397398398398398398398398398398398399399399399399399	29.34728.14929.29329.10830.06331.34332.22431.82730.57029.69029.42028.42830.65931.05731.69530.60132.12833.03732.01233.01532.66831.55833.62333.46134.75435.07236.42234.58633.00833.68431.82731.21829.80429.10029.89331.16130.86731.38831.25132.45533.16032.66233.72033.13234.05435.18735.79935.08533.97534.89434.70136.11137.21238.38538.77839.57136.824	35.62935.89335.65736.33535.84036.39535.92134.84534.28734.78234.17733.51333.69532.33231.73631.78232.38233.17931.55431.55930.58330.03030.40429.57228.80327.87227.15528.04530.43831.37230.12830.92531.30932.06532.19730.17729.00030.88430.29530.50331.50429.54929.61229.17729.37828.61529.02329.99630.21828.71127.72229.03128.10228.43729.77727.50426.640	-15.595-13.731-12.846-11.493-10.437-10.310-9.324-8.448-8.585-9.589-12.621-12.289-12.741-12.453-13.683-15.086-11.376-11.463-10.351-9.285-8.191-8.154-7.291-6.120-5.771-6.930-6.834-4.445-4.984-4.581-4.483-3.446-3.864-2.749-5.150-2.147-2.114-1.0600.2401.0980.9791.9922.9854.3515.5145.7196.8227.3586.5732.5331.8502.9472.7343.6563.4093.4413.020	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	23.8822.9023.5928.3929.3628.2235.6029.0834.7730.6125.4121.5123.1125.4230.7834.5429.1226.2125.5825.7423.3519.7218.9319.4919.1722.4228.2119.4920.4319.6217.3520.3722.4425.4726.3018.8318.6317.7220.5219.3123.7821.3815.3913.0316.0917.7818.9418.6319.2519.4518.8116.4522.5125.8128.1527.1420.43	ONCCCCCCCCCONCCSCONCCONCCCCCCONCCCCCONCCONCCCNCNCCONCCOCC

原子	6359	O	THR A	399	37.189	25.749	2.273	1.00	23.83	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	636163626364636663706374637563776378638063836386638963916392639563986399640164026404640764086410641264146416641764196420642264256428642964306431643264346435643764406441644364456446644864506452645364556456645864606462646664676469	NCACBCG1CG2CONCACBCGCDNECZNH1NH2CONCACBCGND1CE1NE2CD2CONCACBCGCDOE1OE2CONCACBCGCD1CE1CZOHCE2CD2CONCACBOG1CG2CON	VAL AVAL AVAL AVAL AVAL AVAL AVAL AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AHIS AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATHR ATHR ATHR ATHR ATHR ATHR ATHR AVAL A	400400400400400400400401401401401401401401401401401401402402402402402402402402402402403403403403403403403403403404404404404404404404404404404404404405405405405405405405406	36.12435.84135.74236.99334.46034.58734.33733.81632.51731.46230.13930.25229.02128.81629.79327.64132.03631.61032.21132.05333.30634.61635.75036.74436.31334.98431.77332.02231.21230.82929.35929.07127.58426.69627.31630.97430.78231.22731.14231.56731.62132.66032.72531.74531.78830.70030.64529.69228.76729.51528.18027.59627.88826.04528.20129.21527.051	26.37724.98724.79425.32725.42724.43523.22725.30824.90924.74524.12122.63722.21022.29122.68021.96025.88526.98725.49626.38627.27926.53626.97026.13725.19325.41525.56324.35526.21025.52425.10724.03523.72024.36122.84826.45727.67625.89226.66825.85226.62127.50728.20527.99228.67027.12126.43427.11726.31628.37228.88329.68529.01129.88729.86230.48329.973	4.1174.4856.0156.7096.5723.7683.8003.1252.5333.6203.1222.8172.1510.8480.0450.3421.4771.7980.214-0.922-1.183-1.276-0.632-0.866-1.673-1.945-2.134-2.156-3.145-4.370-4.316-3.318-3.184-3.833-2.358-5.505-5.348-6.676-7.885-9.050-10.345-10.608-11.834-12.778-13.966-12.527-11.328-8.131-8.004-8.526-8.837-7.637-6.407-7.803-10.015-10.322-10.665	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	20.0719.0119.4817.6815.4316.2218.1116.2413.8815.0513.8916.5315.5915.3817.9218.8113.5415.1814.5415.2616.4520.1230.9924.7717.6422.8716.8216.5118.0418.5119.9324.6523.2722.2326.1619.4816.5121.2721.8421.2520.7328.1425.7731.0140.9129.5623.3026.5423.6521.7626.3832.3037.7125.2022.9319.2626.56	NCCCCCONCCCCNCNNCONCCCNCNCCONCCCCOOCONCCCCCCOCCCONCCOCCON

原子	6470	CA	VAL A	406	26.765	31.008	-11.652	1.00	26.25	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	647264746478648264836485648664886490649364976501650265046505650865096511651265146517652065216522652565266528652965316534653765406543654765486550655165536555655965636564656665676568657165726577657865796580658165826587658865906591	CBCG1CG2CONCACBCG1CD1CG2CONCACONCACBCGCDOE1NE2CONCACBCGCDCENZCONCACBCG1CG2CONCACACBCBCGCGOD1OD1ND2ND2CONCA	VAL AVAL AVAL AVAL AVAL AILE AILE AILE AILE AILE AILE AILE AILE AGLY AGLY AGLY AGLY AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL AVAL AVAL AASN AASN AASN AASN AASN AASN AASN AASN AASN AASN AASN AASN AASN ALEU ALEU A	406406406406406407407407407407407407407408408408408409409409409409409409409409410410410410410410410410410411411411411411411411412412412412412412412412412412412412412413413	26.32427.45725.10225.69624.75725.88425.00125.64026.00526.55324.70224.77725.71923.52523.24621.78221.03421.40320.03219.88718.65418.44717.46519.36719.53518.39020.40319.99021.02321.19120.06420.14819.14019.68718.91220.27519.94520.94720.54122.35918.53517.71618.25616.92216.91716.87816.84417.94715.42318.59314.78618.14014.90315.90414.83616.25115.336	30.41729.58429.55631.92731.49933.21234.22434.94533.96434.67936.05635.25635.69135.61236.62536.71035.75437.87638.15039.61540.28339.92539.25840.36937.18736.80136.74735.74135.65836.95037.16138.50638.50434.35033.57334.02932.78432.45931.20732.32932.92232.03634.03634.29434.28035.60335.57035.67335.92534.67935.22336.86337.00234.34233.74635.03235.096	-13.022-13.605-12.840-11.061-10.370-11.267-10.667-9.447-8.340-7.081-8.890-11.773-12.436-12.003-13.012-13.338-13.192-13.823-14.194-14.612-13.960-12.471-12.110-11.614-15.274-15.256-16.177-17.172-18.300-19.066-20.046-20.796-21.883-16.567-17.139-15.413-14.730-13.559-12.843-14.063-14.163-14.308-13.500-12.966-12.976-12.160-12.163-11.061-11.782-10.720-10.992-10.520-12.369-14.113-14.028-15.189-16.358	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.000.500.500.500.500.500.500.500.500.500.501.001.001.001.00	31.2729.6338.6125.0126.2921.2423.2824.3827.5924.7327.2422.2623.3023.8829.2427.2822.7431.4434.8337.9551.6755.8760.7558.4728.0829.7929.7828.4428.8331.3433.1336.9332.5528.7229.0825.9125.5626.0630.5423.5823.2324.5827.1028.2827.9531.2530.7634.9133.0336.4134.8835.3937.3026.6327.1227.4528.28	CCCCONCCCCCCONCCONCCCCONCONCCCCCNCONCCCCCONCCCCCCOONNCONC

原子	6593	CB	LEU A	413	15.953	35.911	-17.483	1.00	29.57	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	659665986602660666076609661066126616661766196620662266266627662966306632663566386641664366446647665066516653665466566659666266636667666866706671667366766679668066846685668766886690669366966697670167026704670567076710671167136715	CGCD1CD2CONCACBCONCACBCONCACBCGCDNECZNH1NH2CONCACBCGSDCECONCACBCGSDCECONCACBCGSDCECONCACBCGCD1CE1CZ	LEU ALEU ALEU ALEU ALEU AALA AALA AALA AALA AALA AALA AALA AALA AALA AALA AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET AMET ATYR ATYR ATYR ATYR ATYR ATYR ATYR A	413413413413413414414414414414415415415415415416416416416416416416416416416416417417417417417417417417418418418418418418418418419419419419419419419419420420420420420420420	15.09615.77613.67714.98513.82115.99515.75617.04714.81813.89315.03314.19514.77112.72511.80112.54411.19411.26111.80711.29212.06611.88610.93912.65810.4769.28211.21310.64011.65511.96613.48413.03610.0738.97910.79910.31211.42211.66213.17413.1189.0938.2309.0027.8268.1549.2269.0137.3336.6265.5166.8565.7546.1536.1697.2107.2496.244	36.79536.93136.34833.68233.34532.85031.47930.72830.71830.01430.88130.20730.43730.68929.90131.99532.58134.08434.59333.87834.29433.83232.93034.29432.22231.97332.16331.71131.76933.16633.30032.35330.32130.11329.36327.99826.98826.79725.93226.42127.85627.03028.67528.63429.18228.35326.55926.34629.37728.89030.54331.37932.84733.57233.38534.08334.979	-18.400-19.804-18.502-16.878-16.987-17.163-17.647-17.843-16.710-17.157-15.405-14.394-12.989-14.438-14.378-14.506-14.538-14.421-13.155-11.932-10.763-9.530-9.264-8.553-15.815-15.780-16.932-18.202-19.334-19.765-20.714-22.155-18.152-18.646-17.575-17.537-17.189-15.730-15.290-13.588-16.599-16.850-15.553-14.678-13.287-12.567-12.826-12.222-15.270-15.203-15.855-16.307-16.351-15.028-14.106-12.901-12.603	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	35.4823.9629.6226.5425.4626.5125.2324.6824.7125.6325.3128.4126.7127.3227.2827.4929.3327.7430.6540.6848.9052.5951.6254.6728.4231.8326.2127.1627.0032.3230.8432.2425.4827.3125.6025.5931.8132.6435.3835.3030.2830.6531.8334.9133.2639.7542.1346.6832.7540.0032.6734.8134.2141.2245.4745.7148.84	CCCCONCCCONCCCONCCCCNCNNCONCCCSCCONCCCSCCONCCCSCCONCCCCCC

原子	6716	OH	TYR A	420	6.265	35.686	-11.417	1.00	50.34	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	671867206722672367256726672867316732673467366737673967416743674467466747674967526755675867596760676167646765676767686770677267756779678367846786678767896791679567996800680268036805680768096813681468166817681968226824682568276828	CE2CD2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCDCONCACONCACBCG1CD1CG2CONCACBCG1CG2CONCACBOG1CG2CONCACBSGCONCA	TYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APRO APRO APRO APRO APRO APRO APRO AGLY AGLY AGLY AGLY AILE AILE AILE AILE AILE AILE AILE AILE AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATHR ATHR ATHR ATHR ATHR ATHR ATHR ACYS ACYS ACYS ACYS ACYS ACYS AASP AASP A	420420420420421421421421421421421421421421421421422422422422422422422423423423423424424424424424424424424425425425425425425425426426426426426426426427427427427427427428428	5.2055.1785.2614.2176.0525.6926.6026.4737.3467.2596.2946.2335.4155.5105.8506.7874.9465.0824.0783.0723.7824.7814.0085.4105.0795.6705.3486.5457.2146.4966.4936.2195.0668.6699.0869.41810.78711.61213.04511.69510.69810.23811.13111.21210.52411.0298.98012.66813.58912.87514.16115.02714.57414.04012.97015.15615.260	35.18434.47930.99631.44930.22429.74630.37031.85532.71734.09634.64636.03133.80832.41228.24427.73527.52126.08525.74026.80428.04025.30025.73224.14223.21323.57422.94924.57824.98426.16927.42328.64925.74025.33925.48725.41325.88825.17525.78323.66827.36927.74428.20729.65030.37629.86330.18130.14029.52731.26131.92031.42332.04333.45534.03534.08635.515	-13.500-14.712-17.683-18.075-18.426-19.751-20.809-20.965-20.312-20.473-21.332-21.474-22.003-21.822-19.799-20.420-19.121-18.995-17.889-17.944-18.381-20.264-21.111-20.401-21.477-22.815-23.836-22.819-24.044-24.741-23.875-24.673-25.156-23.795-22.653-24.887-24.888-25.959-26.058-25.677-25.211-26.306-24.268-24.467-23.316-22.084-23.329-24.514-23.933-25.195-25.201-26.357-28.041-25.188-25.432-24.868-24.763	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	51.0845.5432.2430.9630.2429.6524.6331.4732.5734.4536.1430.9429.5330.0329.4929.6033.2332.0132.9537.6832.9432.7532.6831.6932.0132.1731.9330.3631.2427.0228.3024.2326.5123.5122.9826.8826.7323.3325.2426.7830.5928.4930.3926.1231.6132.4724.4131.1525.9926.0926.3628.0627.9226.0323.4122.6624.10	CCCONCCCCCCOCCCONCCCCCONCCONCCCCCCONCCCCCONCCOCCONCCSCONC

原子	6830	CB	ASP A	428	16.241	35.915	-23.627	1.00	23.34	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	683368346835683668376839684068426845684768486850685168536855685968636864686668676869687168736877687868806881688368866887688968916892689468966898689969016902690469076908690969126913691569166919692069226923692569286930693169336934	CGOD1OD2CONCACBOGCONCACBCG1CG2CONCACBOG1CG2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGOD1ND2CONCACONCACBOGCONCA	ASP AASP AASP AASP AASP ASER ASER ASER ASER ASER ASER AVAL AVAL AVAL AVAL AVAL AVAL AVAL ATHR ATHR ATHR ATHR ATHR ATHR ATHR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AASN AASN AASN AASN AASN AASN AASN AASN AGLY AGLY AGLY AGLY ASER ASER ASER ASER ASER ASER AASN AASN A	428428428428428429429429429429429430430430430430430430431431431431431431431432432432432432432432432432432432432433433433433433433433433434434434434435435435435435435436436	17.70218.02418.56315.65915.93315.71016.09015.89814.51817.49817.75518.42819.80220.75822.13020.94519.85220.50319.16519.27818.69719.40118.82718.60819.13517.42616.67615.37914.60213.74412.99813.11812.39813.97114.69817.48417.78717.82918.56618.83117.56317.26916.79819.88920.28220.57721.90321.88722.80420.86820.77019.47418.29820.81521.35020.24320.028	35.56034.87935.99236.12235.40337.44438.17639.67339.94837.90937.76537.84237.54637.46136.86338.83436.24236.15035.21533.88032.79432.81731.43233.85633.34034.43334.47435.22235.56234.63334.95536.22636.56837.16236.82935.14734.52236.41737.20238.61739.42339.94339.51036.56936.51836.08235.56034.29034.07133.44432.16131.39932.15032.38731.56533.51233.835	-23.915-24.919-23.106-26.107-27.084-26.145-27.364-27.160-27.061-27.829-29.040-26.881-27.235-25.998-26.450-25.366-27.975-29.019-27.460-28.067-27.138-25.895-27.766-29.433-30.402-29.500-30.736-30.462-31.693-32.267-33.395-33.950-35.079-33.377-32.262-31.866-32.894-31.656-32.652-32.138-31.991-30.928-33.060-33.004-34.167-31.983-32.167-32.965-33.741-32.773-33.495-33.133-33.459-35.003-35.734-35.439-36.860	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	23.1827.2025.9721.9722.8226.9030.6733.5642.0229.2429.8429.3125.6725.7828.9029.4127.7330.2627.7923.2727.4425.5924.3627.2532.0432.2231.9130.3731.2533.0141.1540.6147.0739.6930.9534.2032.1838.8941.6743.1338.6245.0045.0044.1743.0443.2441.9244.0250.4741.9743.8842.6939.8445.8545.4151.1358.87	COOCONCCOCONCCCCCONCCOCCONCCCCCCOCCCONCCCONCONCCONCCOCONC

原子	6936	CB	ASN A	436	21.361	34.113	-37.588	1.00	60.36	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	693969406941694469456947694869506953695569596963696469666967696969726975697869796980698169836987698869906991699369966997699970017002700470067008700970117012701470177018702070227024702670287029703170327034703770387040704270447046	CGOD1ND2CONCACBCGCD1CD2CONCACBCGCDCONCACBCONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1CE1CZCE2CD2CONCACBCGCD1CE1CZCE2CD2	ASN AASN AASN AASN AASN ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU APRO APRO APRO APRO APRO APRO APRO AALA AALA AALA AALA AALA ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE APHE A	436436436436436437437437437437437437437438438438438438438438439439439439439440440440440440440440440440440440440441441441441441441441441441441441442442442442442442442442442	21.76322.60621.13019.17119.05818.54817.70617.27318.37417.87718.94816.48216.14315.80314.67514.14015.26215.99613.61713.30713.07312.16011.65410.99610.47610.6159.4738.9539.96110.23211.14711.80012.70811.55610.6409.7648.84711.03011.38412.90013.47113.10013.64814.56914.96114.41810.87210.87710.41810.01010.91012.35413.16714.49315.02414.21812.892	35.57235.95336.40632.81532.90131.88330.84529.80728.89327.96728.10331.50632.63530.81431.47430.41029.44829.44231.88431.11933.08633.58334.99332.62932.56431.85830.92530.49729.74728.41027.72128.35327.65429.67830.37629.68428.92229.50128.54828.36727.46127.56326.72325.78825.68326.50928.97528.18230.21530.79931.98731.62431.72031.36630.89130.79631.156	-37.511-36.701-38.332-37.621-38.850-36.883-37.472-36.425-35.922-34.811-37.088-38.064-37.685-38.995-39.635-40.597-40.785-39.488-38.604-37.699-38.733-37.718-38.057-37.485-36.381-38.501-38.356-39.725-40.565-40.325-41.076-42.103-42.846-42.374-41.597-37.462-37.133-37.062-35.993-35.895-36.933-38.266-39.214-38.852-37.539-36.584-34.621-33.653-34.535-33.269-32.939-32.857-33.976-33.916-32.731-31.602-31.672	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	63.5669.1169.5959.5657.9757.9955.8355.4657.2056.2859.0552.6955.9348.4748.2348.6349.6048.0147.0644.5146.6044.1446.6742.6538.6942.3640.3440.6541.4640.2343.9040.7043.2946.8447.0037.3636.1834.8535.0136.3540.0739.5045.1142.5043.9343.9932.6728.9630.4431.5233.4730.8629.2934.3535.9434.7531.97	CONCONCCCCCCONCCCCCONCCCONCCCCCCOCCCONCCCCCCCCCONCCCCCCCC

原子	7048	C	PHE A	442	8.584	31.294	-33.315	1.00	32.65	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	704970517052705470577060706370667070707170737074707670797082708370847085708670887089709170947096710071047105710771087110711371167119712071217122712471277130713371367140714171437144714671497152715571587162716371657166716871707174	ONCACBCGCDCENZCONCACBCGCDOE1OE2CONCACBCGCD1CD2CONCACBCGCDCONCACBCGCDCENZCONCACBCGCDCENZCONCACBCG1CG2	PHE ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU APRO APRO APRO APRO APRO APRO APRO ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AVAL AVAL AVAL AVAL AVAL A	442443443443443443443443443443444444444444444444444444444445445445445445445445445446446446446446446446447447447447447447447447447448448448448448448448448448449449449449449	8.0058.0306.8935.7014.5563.3912.3021.1607.1967.5177.0457.0526.8966.9437.0197.5166.5865.9114.7696.2215.2585.9106.3397.3125.1084.6955.3193.5132.9911.6781.3952.6233.9194.5234.0344.8495.0605.8495.8224.7633.3424.1492.9834.8614.3584.3593.2873.2042.4372.3765.2036.4094.5565.2634.3284.9963.918	31.4931.4732.34831.54432.44931.79032.84632.27933.43833.13334.70435.80837.11438.33439.60240.60939.55735.69735.54235.80735.52134.67133.27432.69632.38436.79637.85236.68637.78537.24036.05235.52138.09837.17439.37939.82741.33841.84443.38643.90243.51439.48139.83138.78938.47636.96936.22934.76233.98632.49439.18339.32839.64440.25141.13741.51442.374	-34.389-32.132-31.944-31.463-31.208-30.609-30.461-29.773-30.920-29.779-31.301-30.327-31.040-30.109-30.912-30.348-32.114-29.324-29.709-28.037-26.966-25.863-26.278-25.235-26.456-26.321-26.330-25.726-24.932-24.388-25.113-25.717-23.763-23.223-23.404-22.273-22.324-23.517-23.608-24.586-24.241-20.956-20.760-20.069-18.732-18.504-19.313-18.963-20.041-19.814-17.674-17.828-16.610-15.488-14.650-13.308-15.454	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	30.2032.3333.0233.0336.6934.2836.0520.1532.9526.7734.2831.5036.5436.8243.3040.2539.1831.0832.8629.5728.5325.8828.1424.8725.1227.4226.5625.4831.1528.0329.1130.0435.8936.1842.2746.9250.7355.4759.0661.6361.9947.1147.6745.8243.1944.7642.4041.5943.9143.0945.6241.6247.8649.5450.8854.1451.00	ONCCCCCNCONCCCCOOCONCCCCCCONCCCCCONCCCCCNCONCCCCCNCONCCCC

原子	7178	C	VAL A	449	5.821	39.107	-14.647	1.00	48.21	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	717971817182718471877190719171957196719871997201720472077210721372177218722072217224722572277228723072327236724072417243724472467250725172537254725672597260726172627263726572667268727172737274727672777280728172837284728672897292	ONCACBCGSDCECONCACBCGCDCENZCONCACONCACBCG1CG2CONCACBCONCACBCGOD1OD2CONCACBOGCONCACONCACBCGCD	VAL AMET AMET AMET AMET AMET AMET AMET AMET ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGLY AGLY AGLY AGLY AVAL AVAL AVAL AVAL AVAL AVAL AVAL AALA AALA AALA AALA AALA AASP AASP AASP AASP AASP AASP AASP AASP ASER ASER ASER ASER ASER ASER AGLY AGLY AGLY AGLY APRO APRO APRO APRO APRO A	449450450450450450450450450451451451451451451451451451452452452452453453453453453453453454454454454454455455455455455455455455456456456456456456457457457457458458458458458	5.0607.1487.8158.7467.9938.96710.0888.5749.3528.3398.8778.2896.7566.2166.2045.16310.40311.01311.00612.45313.06914.20012.34712.92412.76511.83112.34712.43111.22513.38913.11114.06713.24014.34412.09412.01512.23011.95011.41312.26812.95114.12412.37513.04912.08710.78613.48714.33412.91012.97811.98011.34511.82810.93911.07412.03912.434	38.34138.98437.87237.14636.55035.48136.72738.38439.34137.74738.23237.45037.67737.37435.87535.09638.19237.14139.36539.49340.06240.54840.01240.41939.30338.18339.89441.81442.06242.71344.09545.06144.22844.38044.19844.13545.49845.45844.42846.44743.09343.35241.92340.80739.62940.06741.05840.32442.08142.23941.26440.49641.27740.28940.57441.70542.217	-14.057-14.623-13.940-14.915-16.093-17.133-17.748-12.723-12.822-11.576-10.303-9.110-8.936-7.529-7.199-7.929-10.327-10.560-10.155-10.136-11.397-11.353-12.521-13.822-14.949-14.517-16.298-14.271-14.382-14.496-14.893-14.194-16.401-16.937-17.071-18.531-19.192-20.692-21.170-21.390-19.145-19.422-19.382-20.015-19.989-20.336-21.468-22.000-22.104-23.566-24.179-23.452-25.513-26.151-27.650-27.788-26.468	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	44.5948.9050.5549.9548.0944.1243.2553.6351.8860.5664.1866.1169.5171.7772.5073.1865.4167.9665.6466.4367.9969.8268.0369.3468.3867.5965.8269.4565.9270.2973.6673.3375.3677.4075.9574.6475.7476.5671.9477.2970.9369.8166.8564.2464.2262.1261.5060.6457.1851.8946.6547.0742.1138.4938.4141.3541.62	ONCCCSCCONCCCCCNCONCCONCCCCCONCCCONCCCOOCONCCOCONCCONCCCC

原子	7295	C	PRO A	458	11.363		38.842	-25.844	1.00	33.96	C
												原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	729672977298730073037305730973137314731673177319732273237325732773287330733273347335733773387340734373467347734873517352735473557357736073617363736573667368737073727373737573767378738173827384738673877388739073927394739673977399	ONCACBCGCD1CD2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCDOE1NE2CONCACBCGCD1CE1CZOHCE2CD2CONCACBCGCD1NE1CE2CD2CE3CZ3CH2CZ2CON	PRO ALEU ALEU ALEU ALEU ALEU ALEU ALEU ALEU ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN AGLN ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATYR ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP ATRP AGLY A	458459459459459459459459459460460460460460460460460460460460460461461461461461461461461461462462462462462462462462462462462462463463463463463463463463463463463463463463464	12.55310.39310.63910.06110.6109.94412.1489.9698.95910.51110.10911.19111.40212.24612.43211.76711.98510.91710.7339.93910.6139.0478.9567.5277.4135.9915.7485.0489.7939.72210.60511.30112.61313.37013.68814.38114.75115.40514.43913.75110.36210.1689.7558.7087.9116.6426.5145.1924.4405.3214.8063.4552.5913.0649.3208.72610.499		38.52537.99036.58436.14936.85436.22136.74335.79936.24734.60333.79433.83135.21136.09937.39237.81039.07936.94235.65232.36631.87331.69230.27429.81128.28627.79426.58828.70929.76630.33028.74328.01627.39526.65327.26826.58525.25724.56624.62425.31826.93225.90927.17726.29827.04626.35525.35624.98925.75626.63127.53327.52726.63425.74425.04023.96225.188	-25.865-25.548-25.348-24.013-22.794-21.588-22.746-26.452-27.006-26.724-27.859-28.920-29.456-28.798-29.254-30.412-30.872-31.092-30.619-27.444-26.540-28.123-28.021-28.224-28.299-28.390-28.343-28.505-29.133-30.242-28.844-29.867-29.353-30.431-31.625-32.626-32.435-33.419-31.257-30.260-30.382-29.741-31.533-32.061-33.136-33.542-34.449-34.556-33.707-33.048-32.114-31.859-32.523-33.452-32.654-32.594-33.242	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	26.3730.4527.7131.2529.8631.2729.8233.2026.2929.9826.6427.3830.1623.9630.0429.3031.5128.4528.8028.6526.8826.5724.5725.9726.8527.4335.5021.5528.8326.4724.3926.6027.7331.5531.2138.0832.6431.8132.5233.7929.4433.1631.7726.9231.7729.0127.6432.4628.0624.1027.7631.3332.0734.1733.5734.8834.85	ONCCCCCCONCCCCCCOCCCONCCCCONCONCCCCCCOCCCONCCCCNCCCCCCCON

原子	7400	CA	GLY A	464	11.208	24.087	-33.845	1.00	38.65	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	740374047406740774097412741574187420742174247427742874307431743374357437744174427444744574477450745374547455745674577459746074627465746874717474747874817483748674887490749374957496749774987499750075017502750375047505750675077508	CONCACBCGCDNECZNH1NH2CONCACBOG1CG2CONCACBCGCDOE1OE2CONCACBCGCDCENZCO3C3C2O2C1O1O1C2O3C4O5N6C7C8C9C10C11O12C13C14	GLY AGLY AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG AARG ATHR ATHR ATHR ATHR ATHR ATHR ATHR AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU AGLU ALYS ALYS ALYS ALYS ALYS ALYS ALYS ALYS AGOL WGOL WGOL WGOL WGOL WGOL WL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 X	46446446546546546546546546546546546546546646646646646646646646746746746746746746746746746846846846846846846846811111111111111111111	11.11010.45111.72611.97713.07114.31115.49915.93616.91917.60117.22810.72610.7109.6938.4958.3618.1019.6307.2107.1836.1514.7604.4553.9314.8745.3995.0784.3965.1833.2122.6221.8970.6470.952-0.0430.2793.69528.57328.65428.86328.60427.89228.15423.18522.87423.12122.22022.20921.75420.86920.73419.89019.15019.28718.54718.70819.926	24.14625.02823.16023.18722.16922.25821.50722.05421.55020.47222.13222.92323.22422.35421.97820.43919.89919.81622.53722.97022.49522.70522.15320.70919.69218.82419.74624.16225.02724.43025.76025.97825.07323.73822.55921.60626.8128.0457.5448 .8799.7049.1698.52317.62118.73219.00019.79220.92919.43920.08019.45319.94221.07421.74322.88924.09724.778	-35.353-35.927-35.991-37.439-37.804-36.914-37.482-38.762-39.506-39.107-40.660-38.281-39.483-37.665-38.399-38.482-37.173-39.068-37.787-36.632-38.592-38.157-36.750-36.748-36.095-36.823-34.862-38.239-37.834-38.792-38.747-37.396-37.191-36.443-36.745-37.919-38.9980.140-1.166-1.837-0.749-2.960-4.188-7.152-7.590-8.745-6.751-7.185-5.529-4.650-3.411-2.422-2.654-3.871-4.111-3.481-3.508	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	43.3338.0446.7551.6655.1161.6368.6874.2881.3583.1383.5551.8549.8749.3353.3054.1254.6954.8753.7550.4056.1358.4656.0358.7758.4464.8353.6562.2067.9059.3958.1556.4852.6453.8852.9940.8255.3631.9542.3040.5533.0440.2545.6742.6947.5051.6246.1651.1744.0740.6845.2043.1244.8854.1361.2359.5962.69	CCNCCCCNCNNCONCCOCCONCCCCOOCONCCCCCNCOCCOCOOCOCONCCCCCOCC

原子	7509	C15	L01 X	1	20.063	26.001	-2.866	1.00	61.95	C
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	751075117512751375147515751675177518751975207521752275237524752775307533753675397542754575487551755475577560756375667569757275757578758175847587759075937596759976027605760876117614761776207623762676297632763576387641764476477650	C16C17C18C19H20H21H22H23H24H25H26H27H28H29OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	L01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XL01 XHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	11111111111111234567891011121314151617181920212223242526272829303132333435363738394041424344	18.98717.77417.63120.13022.13821.29019.80718.50520.76621.00519.08916.93316.69220.21325.39934.32916.41831.55328.1688.3954.31142.22440.86944.9677.98419.19729.92243.08128.38231.60838.29132.27524.37542.27830.58213.18536.03548.41417.59226.6313.96041.61246.78031.48936.09635.18335.87022.72047.56538.20838.34842.0559.5032.25438.77141.91536.710	26.55125.88124.66521.22818.62018.55119.42321.47024.35326.51727.50326.31724.14121.75417.51919.28535.39123.13621.68224.95223.0019.83325.66528.02022.18625.28720.34215.89921.57418.54824.67917.78730.25921.47121.19517.46925.38614.85439.14316.65038.75332.50229.86321.51240.44743.69538.39017.70320.79723.15237.65824.94427.78341.19429.74025.19112.593	-2.207-2.179-2.822-4.881-5.186-3.219-1.478-1.882-4.025-2.890-1.707-1.660-2.797-5.817-6.31422.298-36.312-6.68611.560-27.6216.838-1.4466.786-14.9677.13229.9087.9836.8415.66810.950-4.8298.32627.5762.47010.48121.06919.988-2.922-24.07412.516-32.775-5.989-8.091-9.027-13.974-3.441-15.7789.6356.632-1.934-5.751-17.505-21.116-24.326-9.03511.3658.901	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	63.0861.6060.0245.7143.7143.3444.1946.9861.6162.4862.3561.5760.3446.6629.1023.8255.6314.9118.3925.7430.8220.9445.6234.5434.6952.8119.5230.0619.3618.5625.5217.5454.4553.6021.3432.3337.6325.9028.1632.0526.1849.4528.1227.2329.8720.3624.4827.1742.9318.4321.6142.5225.6830.5939.4251.8027.11	CCCCHHHHHHHHHHOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	7653	O	HOH W	45	29.517	9.186	-6.341	1.00	20.01	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	765676597662766576687671767476777680768376867689769276957698770177047707771077137716771977227725772877317734773777407743774677497752775577587761776477677770777377767779778277857788779177947797780078037806780978127815781878217824	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	464748495051525354555657585960616263646566676869707172737475767778798081828384858687888990919293949596979899100101102	18.45034.17326.6747.38433.21834.52823.11228.29642.33811.19430.15939.06439.67527.03951.79615.43825.66729.38721.1468.45132.98910.12425.612-0.18942.46140.73912.60510.46730.52539.2606.84410.18248.69745.9813.33028.39626.60135.63511.67721.64829.6878.58936.58110.4592.01323.95017.72014.933-0.7963.9425.74448.18223.53312.63329.53132.12434.050	32.63921.3098.31521.72823.97930.23737.56440.50913.60417.42734.29223.3159.24417.72529.47721.8161.03924.71940.41825.98714.64019.93524.72827.33817.10023.87920.86916.84430.34727.97416.06634.91728.63116.39328.24419.29312.20932.30437.54511.92321.30022.01750.24739.8187.97213.58524.45613.96527.4779.95525.13917.25116.22438.93124.13121.64434.303	23.965-15.824-9.731-16.56915.209-14.126-16.520-13.36612.6992.70611.5502.784-9.30910.02019.630-33.0431.042-20.208-29.110-37.42716.149-33.29835.481-35.315-12.274-3.607-34.10818.636-33.9007.4597.844-35.05117.859-6.597-21.77312.641-25.6631.15312.299-26.860-5.160-34.843-16.979-33.322-16.1497.479-38.830-28.0784.673-17.70423.756-8.8987.260-36.091-34.963-20.1278.055	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.000.331.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	45.2433.1625.5433.4428.0838.0830.6852.3061.4144.7331.0646.6430.0130.9562.4937.9950.5737.7851.1137.8934.3856.7850.3841.5338.3241.3736.2734.3950.7736.3240.6241.5742.1828.8842.5727.1544.1234.7739.6949.6536.2844.5145.6941.5252.2137.5358.0833.0556.4244.5552.3634.8832.4438.4159.9161.6242.40	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	7827	O	HOH W	103	26.348	17.082	-17.685	1.00	37.16	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	783078337836783978427845784878517854785778607863786678697872787578787881788478877890789378967899790279057908791179147917792079237926792979327935793879417944794779507953795679597962796579687971797479777980798379867989799279957998	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	104105106107108109110111112113114115116117118119120121122123124125126127128129130131132133134135136137138139140141142143144145146147148149150151152153154155156157158159160	18.5750.20826.03524.07738.53818.66738.11638.71630.02628.2265.74122.5417.08623.19352.84725.04833.81036.09223.79357.54914.34331.3537.5601.73939.9792.88029.3107.27727.24147.3119.41515.02539.8318.00027.50126.06219.96933.82323.12010.30519.91224.03026.23324.08922.45136.7527.52017.10440.33540.41632.62138.21449.64640.79233.25634.25714.125	8.52734.25411.96749.24327.3861.08024.94912.7076.53910.74318.67940.16325.10933.78726.93337.80336.97329.9269.29311.67640.47323.45014.94837.97530.17128.94116.62625.64432.66925.58540.84837.26717.36238.72718.3859.0274.86345.03639.85818.83223.11410.60715.71140.12738.03134.41941.2217.84726.57124.32520.2400.42128.66424.15115.06725.91540.472	-23.748-28.5526.340-6.935-4.050-9.68210.42712.646-6.916-20.875-22.117-17.762-15.29924.01718.91315.3166.725-0.789-20.70319.184-30.62313.5892.58617.7946.501-27.166-30.706-39.93119.05416.90827.19720.019-13.599-33.980-15.975-19.109-15.2687.344-23.032-2.742-37.6794.479-14.526-19.809-29.860-2.435-27.912-20.34312.5058.95020.534-3.43920.6804.775-11.977-15.77026.377	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.000.331.001.001.001.00	52.8827.2631.1357.1135.9245.4331.8434.0531.5743.3239.3038.7948.6464.0857.6940.6529.0627.9933.5438.8741.9326.8345.5649.1243.7244.3045.2236.0342.2661.9172.1748.3340.2933.1245.0233.5733.7648.3645.8435.4457.0728.5441.0741.6354.4933.5441.8335.0458.4552.6826.3669.8769.9450.9032.7745.7369.86	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8001	O	HOH W	161	46.811	25.869	-4.271	1.00	46.93	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	800480078010801380168019802280258028803180348037804080438046804980528055805880618064806780708073807680798082808580888091809480978100810381068109811281158118812181248127813081338136813981428145814881518154815781608163816681698172	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	162163164165166167168169170171172173174175176177178179180181182183184185186187188189190191192193194195196197198199200201202203204205206207208209210211212213214215216217218	13.44525.57817.29433.02938.83326.2558.7923.76736.07942.85334.0428.35626.43913.616-6.92734.7146.99922.926-2.45520.3668.37218.8188.04145.98147.27613.99731.8427.9089.778-2.03517.66032.5828.94813.89124.140-1.01147.25027.75419.87118.83349.633-1.20741.2734.27458.60227.44437.92045.17214.59419.66931.20811.06916.1801.8361.15422.97344.892	9.75631.43919.99217.15515.10342.33617.58627.7904.00724.34712.70214.53847.76224.34338.1985.18340.94655.74428.85540.97136.44640.9897.89218.64128.14810.37431.46225.31315.69737.60524.2481.68737.32119.3734.68935.51113.82416.50712.8753.33528.64934.16639.80631.15315.87350.76937.27523.2772.50459.52515.32334.43011.98228.83525.16338.46024.627	17.677-32.19326.962-15.227-13.984-16.722-4.1903.7851.339-4.544-12.12612.235-15.20823.0471.112-10.6268.017-3.7853.552-22.965-34.744-28.27814.898-4.959-16.00911.422-22.449-2.51720.9279.569-35.8981.650-37.71326.278-13.24515.4447.468-19.934-28.408-13.11523.289-0.102-13.74021.46222.586-16.939-14.3545.702-8.9623.289-26.77330.991-28.6544.93612.30117.16217.779	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.000.331.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	47.0154.3351.6244.9139.1053.9445.9739.3640.1555.0236.1654.5666.5537.4942.6140.3855.4552.1655.6754.0247.1346.3156.7841.2252.1645.8044.7852.7851.9355.2444.2164.5163.1848.4450.7353.5647.1951.1453.0238.3559.1355.7547.1444.2151.2653.4546.2443.0350.0859.8257.5056.6352.2346.3945.4853.0648.87	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8175	O	HOH W	219	17.284	2.195	-7.939	1.00	50.71	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	817881818184818781908193819681998202820582088211821482178220822382268229823282358238824182448247825082538256825982628265826882718274827782808283828682898292829582988301830483078310831383168319832283258328833183348337834083438346	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	220221222223224225226227228229230231232233234235236237238239240241242243244245246247248249250251252253254255256257258259260261262263264265266267268269270271272273274275276	18.37534.17447.8716.4845.1144.23828.50616.76723.66924.68557.3232.77119.8858.947-1.96310.53251.67847.49735.10933.33519.47042.23555.3874.69230.050-4.73513.50526.76125.72526.04728.9247.873-1.92440.6825.49638.0967.28125.5800.878-0.58122.18352.11712.9725.84739.17718.13716.8254.00742.92949.64627.28926.89315.4218.68029.26928.27724.631	41.80833.43222.34423.05122.30637.69919.98623.38146.58920.63511.17023.44842.21131.33219.96345.21427.97831.57035.54523.84322.67320.96812.11123.48619.86924.1549.59119.29840.12116.36517.02818.61337.30727.29520.76714.84922.73144.70415.53135.59620.35021.6383.41331.79640.9185.48542.55120.66249.14628.66421.59617.18320.56723.41916.71918.39127.766	-25.095-23.383-16.274-30.946-26.490-11.154-6.74128.361-11.42028.95022.129-26.9899.547-11.065-37.8253.32821.926-17.550-20.59922.43328.937-19.43823.229-2.62822.2136.58713.995-5.128-15.42225.137-17.71518.605-23.87615.269-40.416-16.851-28.34711.976-20.209-22.076-32.6346.812-14.950-0.271-5.587-16.867-2.465-23.213-14.079-15.35829.692-8.111-3.717-9.956-11.736-13.163-9.735	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.000.331.001.001.001.001.001.001.00	51.7444.8255.9554.6843.2356.1342.6048.0861.2338.7349.0641.1051.0263.6932.0164.4769.7747.4357.6056.2258.3554.4558.4969.1350.3564.9866.3354.0049.1350.1848.8453.5545.9364.1856.1759.0952.6760.1454.4842.7451.1658.6448.0447.5753.6048.6249.4050.5047.3849.8153.9324.4040.4059.2854.5651.2543.88	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8349	O	HOH W	277	34.295	4.616	-5.142	1.00	26.85	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	835283558358836183648367837083738376837983828385838883918394839784008403840684098412841584188421842484278430843384368439844284458448845184548457846084638466846984728475847884818484848784908493849684998502850585088511851485178520	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	278279280281282283284285286287288289290291292293294295296297298299300301302303304305306307308309310311312313314315316317318319320321322323324325326327328329330331332333334	39.21616.98821.2208.08329.44437.7030.6999.48417.0876.16738.45814.25730.04327.81129.46222.78510.8789.46219.56838.875-1.96821.62542.21317.96020.94015.16441.49830.10321.215-0.20630.56647.13010.1528.2175.78645.12859.4081.86646.0062.228-0.76215.24122.60730.75730.98730.9981.93730.70328.95310.52430.89047.4816.01723.17928.33727.6038.497	9.80527.60030.43634.08918.30529.28913.7906.7613.47127.18035.11416.2418.14124.80430.74222.27643.1856.30342.46530.16615.74917.5246.91119.75710.03945.34442.11127.96916.36628.14310.15021.40611.15222.39139.19420.65013.40836.45126.54117.99739.99832.92344.33618.19533.4868.40639.94932.68132.8113.94950.26322.83222.17725.5226.35925.1639.012	6.940-4.642-37.851-38.576-21.27211.449-5.946-13.265-2.4754.689-7.24624.639-17.585-9.734-29.649-36.206-11.3533.473-20.639-20.257-12.26332.9105.261-36.09524.238-20.556-17.952-26.20229.879-38.825-21.1959.1974.12824.83419.582-20.84123.926-15.352-0.238-1.302-23.741-43.447-21.548-14.68526.7462.998-16.55813.59925.3402.237-5.285-22.418-33.36634.884-8.891-26.7742.540	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	33.0854.1567.9542.2157.2850.0059.1065.9243.1531.2829.6555.8447.2758.8553.6862.5252.6556.3651.6266.7669.7453.0649.9563.1657.9859.5961.3564.1556.6855.7349.5468.1455.9248.9563.8855.9762.4455.7259.5265.0355.7256.3453.3253.8265.3851.6149.0047.5254.2360.7153.3154.3961.0865.7448.7546.1853.02	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8523	O	HOH W	335	13.002	40.132	12.395	1.00	54.18	O
											原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子原子	852685298532853585388541854485478550855385568559856285658568857185748577858085838586858985928595859886018604860786108613861686198622862586288631863486378640864386468649865286558658866186648667867086738676867986828685868886918694	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO	HOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH WHOH W	336337338339340341342343344345346347349350351352353354355356357358359360361362363364365366367368369370371372373374375376377378380381382383384385386387388389390391392393394	36.65754.92723.3876.67540.0177.50814.27517.20421.7490.36542.25236.41832.43229.33946.07229.13021.32211.71510.6737.65024.25815.85739.01532.69916.87736.39133.94037.99420.89619.96828.10611.46844.12432.96010.72624.00033.1629.1725.20722.21633.10219.6810.01636.1362.0139.03322.00320.8347.63532.3014.58831.5813.34528.18619.71721.91232.971	33.39714.05010.22431.01132.90620.32334.76532.3719.69317.02128.06631.88112.48532.20419.45539.91734.56524.78630.56539.00130.0654.7578.9465.63730.24531.2405.04913.06431.7709.23224.91711.02711.95940.17331.3382.16527.71939.54619.60550.04130.67118.97333.24221.66720.83141.0247.8863.74438.3504.23114.41916.53539.23115.97540.86832.2514.099	9.25816.29320.101-3.288-16.112-29.572-40.749-3.5593.953-4.136-3.8623.97414.636-25.443-1.8587.604-10.11519.148-6.239-26.025-33.989-13.2214.718-6.949-5.049-8.1170.284-13.18627.21614.622-29.1156.33114.412-19.302-45.452-10.943-25.403-18.4346.2296.592-27.48634.965-23.621-18.126-21.810-16.0585.504-17.417-20.662-2.222-20.920-17.51818.94122.885-18.155-8.839-8.998	1.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.001.00	51.9247.2444.9357.3746.1449.0651.9470.5357.1466.1758.7624.3139.0361.8044.9435.0537.8532.7453.4039.1454.2951.1542.5837.0959.8228.8048.8931.1443.6253.2968.9366.0854.8661.1647.7145.6564.1760.0564.5357.6966.6359.1752.3251.5251.8555.2950.2055.5657.5957.0654.4661.4054.3643.5752.8763.1549.75	OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO

原子	8697	O	HOH W	395	15.940	41.395	-15.259	1.00	60.18	O
											原子原子原子原子原子	87008703870687098712	OOOOO	HOH WHOH WHOH WHOH WHOH W	396397398399400	17.46522.97620.52921.04615.709	31.11929.39433.48136.83930.104	-10.137-9.471-5.084-9.413-9.320	1.001.001.001.001.00	46.6049.4346.6057.7653.15	OOOOO

CONECT 7495 7496

CONECT 7496 7495 7497 7497 7498

CONECT 7497 7496 7496

CONECT 7498 7496 7499 7499 7500

CONECT 7499 7498 7498

CONECT 7500 7498 7501 7514

CONECT 7501 7500 7513 7513 7502

CONECT 7502 7501 7503 7503 7515

CONECT 7503 7502 7502 7504 7516

CONECT 7504 7503 7505 7505 7517

CONECT 7505 7504 7504 7506 7513

CONECT 7506 7505 7507

CONECT 7507 7506 7512 7512 7508

CONECT 7508 7507 7509 7509 7518

CONECT 7509 7508 7508 7510 7519

CONECT 7510 7509 7511 7511 7520

CONECT 7511 7510 7510 7512 7521

CONECT 7512 7507 7507 7511 7522

CONECT 7513 7501 7501 7505 7523

CONECT 7514 7500

CONECT 7515 7502

CONECT 7516 7503

CONECT 7517 7504

CONECT 7518 7508

CONECT 7519 7509

CONECT 7520 7510

CONECT 7521 7511

CONECT 7522 7512

CONECT 7523 7513

END

Claims (41)

1.一种基于计算机的用于分析配体与solAC结构的相互作用的方法，其包括：

提供表1、表2、表3、表4或表5的solAC结构或其选定的坐标，所述表1、表2、表3、表4或表5任选地有变化，但均方根差不超过1.5_；

提供待与所述solAC结构或其选定的坐标相适配的配体；和

使所述配体与所述solAC结构相适配。

2.权利要求1的方法，其中所述选定的坐标包括来自表6、7、8、9、10或11中所示的残基组的一或多个残基的原子。

3.权利要求1的方法，其中所述选定的坐标包括来自残基组Met1至Tyr26或Lys219至Gly284的一或多个氨基酸的原子。

4.权利要求2或3的方法，其中所述配体与来自所述组的至少2个、优选地至少5个成员的至少一种原子相适配。

5.前述权利要求中任一项的方法，其中所述配体与至少10个原子、优选地至少100个原子相适配。

6.前述权利要求中任一项的方法，其中所述选定的坐标是至少500个、优选地至少1000个原子的坐标。

7.前述权利要求中任一项的方法，其中使多个分子片段相适配并将所述片段组装成单个分子以形成配体。

8.前述权利要求中任一项的方法，还包括以下步骤：

获得或合成所述配体；和

使所述配体与solAC蛋白相接触以确定所述配体与solAC相互作用的能力。

9.权利要求1至7中任一项的方法，还包括以下步骤：

获得或合成所述配体；

形成solAC蛋白和所述配体的复合体；和

通过X线结晶学分析所述复合体以确定所述配体与solAC相互作用的能力。

10.权利要求1至7中任一项的方法，还包括以下步骤：

获得或合成所述配体；和

确定或预测所述配体如何与所述solAC结构相互作用；和

修饰所述配体以改变其与solAC之间的相互作用。

11.前述权利要求中任一项的方法，其中所述solAC结构是自表1、表2、表3、表4或表5的全部或部分坐标或其选定的坐标而构建的模型，所述表1、表2、表3、表4或表5的坐标任选地有变化，但均方根差不超过0.5_。

12.权利要求11的方法，其中所述模型是：(a)线框模型；(b)网状模型；(c)球棍模型；(d)空间填充模型；(e)棍状模型；(f)带状模型；(g)活动轮廓模型；(h)箭头圆柱模型；(i)电子密度图；(j)分子表面模型。

13.前述权利要求中任一项的方法，还包括以下步骤：

(a)获得或合成所述配体；和

(b)使所述配体与solAC相接触以确定所述配体与solAC相互作用的能力。

14.评估配体与solAC蛋白相互作用的能力的方法，包括：

获得或合成所述配体；

形成solAC蛋白和所述配体的结晶化复合体，所述复合体使用于确定所述复合体的原子坐标的X线发生衍射，达到优于3.5_的分辨率；和

采用表1、表2、表3、表4或表5的数据或其选定的坐标通过X线结晶学分析所述复合体以确定所述配体与solAC蛋白相互作用的能力，所述数据任选地有变化，但均方根差不超过1.5_。

15.权利要求14的方法，其包括：

提供solAC蛋白的晶体；

用配体浸渗晶体以形成复合体；和

采用表1、表2、表3、表4或表5的数据或其选定的坐标确定所述复合体的结构，所述数据任选地有变化，但均方根差不超过1.5_。

16.权利要求14的方法，其包括：

使solAC蛋白与配体混合；

使solAC蛋白-配体复合体结晶化；和

采用表1、表2、表3、表4或表5的数据或其选定的坐标确定所述复合体的结构，所述数据任选地有变化，但均方根差不超过1.5 _。

17.权利要求14的方法，还包括确定所述配体的结构。

18.权利要求14或17的方法，还包括以下步骤：

获得或合成所述配体；和

修饰所述配体以改变其与solAC之间的相互作用。

19.用于确定蛋白质结构的方法，其包括：

提供表1、表2、表3、表4或表5的坐标或其选定的坐标，所述表1、表2、表3、表4或表5的坐标任选地有变化，但均方根差不超过1.5_，和

(a)使所述坐标在所述蛋白质的晶体晶胞中定位以便提供所述蛋白质的结构，或(b)通过操作所述坐标来分配所述蛋白质的NMR谱峰。

20.预测结构未知的solAC蛋白同源物或类似物的三维结构的方法，所述方法包括以下步骤：

将三维结构未知的靶solAC蛋白的氨基酸序列的图象与表1、表2、表3、表4或表5或其选定的坐标的solAC的氨基酸序列进行比对，以便所述氨基酸序列的同源性区域相匹配，所述表1、表2、表3、表4或表5任选地有变化，但均方根差不超过1.5_；

在表1、表2、表3、表4或表5或其选定的坐标所定义的solAC结构的相应区域上构建所述结构未知的靶solAC的相匹配的同源性区域的结构的模型，所述表1、表2、表3、表4或表5任选地有变化，但均方根差不超过1.5_；和

确定所述结构未知的靶solAC的构象，所述靶solAC基本上保留所述相匹配的同源性区域的结构。

21.为产生与solAC、solAC同源物或类似物相互作用的配体、solAC与配体的复合体、或solAC同源物或类似物与配体的复合体的结构和/或对与solAC、solAC同源物或类似物相互作用的配体、solAC与配体的复合体、或solAC同源物或类似物与配体的复合体进行优化而提供数据的方法，所述方法包括：

(i)与远程装置建立通讯，所述装置含有

(a)计算机可读数据，包括表1、表2、表3、表4或表5的原子坐标数据或其选定的坐标，所述原子坐标数据任选地有变化，但均方根差小于1.5_，所述数据定义solAC催化结构域的三维结构或其选定的坐标；

(b)基于(a)的数据通过对所述靶进行同源性建模而产生的靶腺苷酸环化酶同源物或类似物的原子坐标数据；

(c)通过参照表1、表2、表3、表4或表5的数据来解释X线晶体学数据或NMR数据而产生的蛋白质的原子坐标数据；和

(d)可自(a)或(c)的原子坐标数据导出的结构因素数据；和

(ii)接收来自所述远程装置的所述计算机可读数据。

22.权利要求21的方法，其中所述计算机可读数据是表1、表2、表3、表4或表5的solAC原子坐标数据或其选定的坐标，所述solAC原子坐标数据任选地有变化，但均方根差不超过1.5_，且其中所述方法还包括：

提供待与表1、表2、表3、表4或表5的solAC原子坐标数据或其选定的坐标相适配的配体，所述solAC原子坐标数据任选地有变化，但均方根差不超过1.5_；和

使所述配体与solAC结构相适配。

23.前述权利要求中任一项的方法，其中所述选定的坐标包括至少5％、优选地至少10％的Cα原子。

24.权利要求23的方法，其中参照所述Cα原子计算所述均方根差。

25.一种计算机系统，用于产生与solAC、solAC同源物或类似物相互作用的配体、solAC与配体的复合体、或solAC同源物或类似物与配体的复合体的结构和/或对与solAC、solAC同源物或类似物相互作用的配体、solAC与配体的复合体、或solAC同源物或类似物与配体的复合体进行优化，所述系统含有计算机可读数据，所述数据包括以下一或多项：

(a)表1、表2、表3、表4或表5的solAC坐标数据或其选定的坐标，所述数据定义solAC催化结构域的三维结构；

(b)基于表1、表2、表3、表4或表5的坐标数据通过对靶进行同源性建模而产生的靶腺苷酸环化酶蛋白的原子坐标数据；

(c)通过参照表1、表2、表3、表4或表5的坐标数据解释X线晶体学数据或NMR数据而产生的靶腺苷酸环化酶蛋白的原子坐标数据；

(d)可自(b)或(c)的原子坐标数据导出的结构因素数据；和

(e)表1、表2、表3、表4或表5的原子坐标数据或其选定的坐标，所述原子坐标数据任选地有变化，但均方根差小于1.5_。

26.权利要求25的计算机系统，其中所述选定的坐标包括来自表6、7、8、9、10或11中所示的残基组的一或多个残基的原子。

27.权利要求26的计算机系统，其中所述选定的坐标是来自所述组的至少2个、优选地至少5个成员的至少一种原子的坐标。

28.权利要求25至27中任一项的计算机系统，其中所述配体与至少10个原子、优选地至少100个原子相适配。

29.权利要求25至28中任一项的计算机系统，包括：

(i)计算机可读数据存储介质，其包括编码有所述计算机可读数据的数据存储材料；

(ii)工作内存，用于存储处理所述计算机可读数据的指令；和

(iii)中央处理器，其偶联于所述工作内存并偶联于所述计算机可读数据存储介质，用于处理所述计算机可读数据并由此产生结构和/或进行合理性药物设计。

30.权利要求29的计算机系统，还包括偶联于所述中央处理器用于显示所述结构的显示装置。

31.计算机用于产生solAC结构或solAC-配体复合体的三维图象的用途，其中所述solAC结构来自表1、表2、表3、表4或表5或其选定的坐标，所述表1、表2、表3、表4或表5任选地有变化，但均方根差不超过1.5_，其中所述计算机包括：

(i)计算机可读数据存储介质，其包括编码有计算机可读数据的数据存储材料，其中所述数据包括表1、表2、表3、表4或表5的结构或其选定的坐标，所述表1、表2、表3、表4或表5任选地有变化，但均方根差不超过1.5_；

(ii)将所述计算机可读数据处理成所述三维图象的指令。

32.权利要求31的用途，其中所述选定的坐标是表6、7、8、9、10或11中所示的一或多个残基的原子。

33.制备组合物的方法，包括根据权利要求1至18中任一项的方法鉴定配体，并将所述分子与载体混合。

34.用于制备药剂、药物组合物或药物的方法，所述方法包括：(a)根据权利要求1至18中任一项的方法鉴定配体；和(b)制备含有所述配体的药剂、药物组合物或药物。

35.权利要求34的方法，其包括(a)根据权利要求1至1 8中任一项的方法鉴定配体；(b)优化所述配体的结构；和(c)制备含有所述优化的配体的药剂、药物组合物或药物。

36.solAC催化结构域的晶体。

37.solAC催化结构域和配体的共结晶。

38.solAC催化结构域与配体的共结晶，其具有空间群P6₃。

39.权利要求32或33的共结晶，其具有如下晶胞尺度：a＝b＝99.5_、c＝97.4_、且α＝β＝90.00、γ＝120.00，所有尺度的晶胞可变性为5％。

40.solAC蛋白的晶体，其具有3.5_或更佳的分辨率。

41.solAC蛋白的晶体，其具有由表1、表2、表3、表4或表5的坐标所定义的结构，所述坐标任选地有变化，但均方根差小于1.5_。

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